NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392239 |
1pu3   |
4371 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pu3
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 2335
_Distance_constraint_stats_list.Viol_count 3651
_Distance_constraint_stats_list.Viol_total 6825.090
_Distance_constraint_stats_list.Viol_max 1.560
_Distance_constraint_stats_list.Viol_rms 0.0430
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0935
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 4.148 0.461 1 0 "[ . 1 . 2]"
1 3 ASP 8.505 0.600 6 2 "[ .+ 1- . 2]"
1 4 TRP 6.621 0.195 6 0 "[ . 1 . 2]"
1 5 LEU 3.434 0.680 11 1 "[ . 1+ . 2]"
1 6 THR 0.679 0.131 17 0 "[ . 1 . 2]"
1 7 PHE 3.654 0.136 6 0 "[ . 1 . 2]"
1 8 GLN 8.861 0.683 6 1 "[ .+ 1 . 2]"
1 9 LYS 4.409 0.910 1 2 "[+ . 1- . 2]"
1 10 LYS 7.445 0.683 6 1 "[ .+ 1 . 2]"
1 11 HIS 6.980 0.482 20 0 "[ . 1 . 2]"
1 12 ILE 5.897 0.411 13 0 "[ . 1 . 2]"
1 13 THR 2.077 0.143 1 0 "[ . 1 . 2]"
1 14 ASN 1.805 0.225 6 0 "[ . 1 . 2]"
1 15 THR 1.925 1.560 10 1 "[ . + . 2]"
1 16 ARG 4.513 1.560 10 1 "[ . + . 2]"
1 17 ASP 2.064 0.474 2 0 "[ . 1 . 2]"
1 18 VAL 2.163 0.143 1 0 "[ . 1 . 2]"
1 19 ASP 3.525 0.991 2 2 "[ + . 1 .- 2]"
1 20 CYS 5.096 0.654 7 2 "[ . + 1 * 2]"
1 21 ASP 2.925 0.307 1 0 "[ . 1 . 2]"
1 22 ASN 4.486 0.504 2 1 "[ + . 1 . 2]"
1 23 ILE 7.799 0.991 2 2 "[ + . 1 .* 2]"
1 24 LEU 2.797 0.380 15 0 "[ . 1 . 2]"
1 25 SER 3.904 0.148 5 0 "[ . 1 . 2]"
1 26 THR 0.853 0.089 14 0 "[ . 1 . 2]"
1 27 ASN 2.107 0.427 3 0 "[ . 1 . 2]"
1 28 LEU 4.181 0.910 1 1 "[+ . 1 . 2]"
1 29 PHE 1.803 0.100 5 0 "[ . 1 . 2]"
1 30 HIS 0.735 0.101 12 0 "[ . 1 . 2]"
1 31 CYS 2.669 0.316 18 0 "[ . 1 . 2]"
1 32 LYS 8.561 0.610 1 1 "[+ . 1 . 2]"
1 33 ASP 0.946 0.516 9 1 "[ . +1 . 2]"
1 34 LYS 10.180 0.882 13 8 "[ * -* 1* +*. **]"
1 35 ASN 5.364 0.470 5 0 "[ . 1 . 2]"
1 36 THR 0.104 0.040 12 0 "[ . 1 . 2]"
1 37 PHE 7.611 0.369 19 0 "[ . 1 . 2]"
1 38 ILE 10.515 0.527 12 2 "[ . 1 + - 2]"
1 39 TYR 2.368 0.338 3 0 "[ . 1 . 2]"
1 40 SER 6.593 0.527 12 2 "[ . 1 + - 2]"
1 41 ARG 15.624 0.938 2 3 "[*+ . 1 . -2]"
1 42 PRO 13.684 0.825 1 2 "[+ . 1 . -2]"
1 43 GLU 18.849 0.518 3 2 "[ + . 1 . -2]"
1 44 PRO 13.480 0.683 19 1 "[ . 1 . +2]"
1 45 VAL 3.101 0.183 9 0 "[ . 1 . 2]"
1 46 LYS 3.513 0.150 1 0 "[ . 1 . 2]"
1 47 ALA 0.487 0.054 19 0 "[ . 1 . 2]"
1 48 ILE 3.591 0.129 14 0 "[ . 1 . 2]"
1 49 CYS 30.163 0.634 10 6 "[ * + -* **]"
1 50 LYS 3.188 0.175 12 0 "[ . 1 . 2]"
1 51 GLY 4.815 0.341 3 0 "[ . 1 . 2]"
1 52 ILE 6.324 0.975 8 2 "[ - . + 1 . 2]"
1 53 ILE 9.639 0.170 17 0 "[ . 1 . 2]"
1 54 ALA 0.727 0.125 19 0 "[ . 1 . 2]"
1 55 SER 4.819 0.551 18 1 "[ . 1 . + 2]"
1 56 LYS 2.277 0.975 8 2 "[ - . + 1 . 2]"
1 57 ASN 0.087 0.082 14 0 "[ . 1 . 2]"
1 58 VAL 2.268 0.163 20 0 "[ . 1 . 2]"
1 59 LEU 8.675 0.317 18 0 "[ . 1 . 2]"
1 60 THR 6.923 0.317 18 0 "[ . 1 . 2]"
1 61 THR 3.082 0.168 18 0 "[ . 1 . 2]"
1 62 SER 4.731 0.168 18 0 "[ . 1 . 2]"
1 63 GLU 9.642 0.365 9 0 "[ . 1 . 2]"
1 64 PHE 4.695 0.296 15 0 "[ . 1 . 2]"
1 65 TYR 7.317 0.454 15 0 "[ . 1 . 2]"
1 66 LEU 3.262 0.084 4 0 "[ . 1 . 2]"
1 67 SER 2.821 0.121 11 0 "[ . 1 . 2]"
1 68 ASP 1.029 0.312 4 0 "[ . 1 . 2]"
1 69 CYS 0.962 0.490 5 0 "[ . 1 . 2]"
1 70 ASN 10.451 0.882 13 8 "[ * -* 1* +*. **]"
1 71 VAL 3.711 0.192 9 0 "[ . 1 . 2]"
1 72 THR 1.860 0.677 17 2 "[ .- 1 . + 2]"
1 73 SER 5.550 0.403 18 0 "[ . 1 . 2]"
1 74 ARG 13.078 0.685 14 9 "[ * ** **1 *+* -2]"
1 75 PRO 11.031 0.605 8 8 "[ * ** +*1 * * -2]"
1 76 CYS 6.626 0.522 9 1 "[ . +1 . 2]"
1 77 LYS 2.414 0.303 16 0 "[ . 1 . 2]"
1 78 TYR 4.598 0.654 7 4 "[ .-+* 1 . * 2]"
1 79 LYS 7.252 0.677 17 5 "[ .-** 1 * + 2]"
1 80 LEU 5.655 0.893 16 1 "[ . 1 .+ 2]"
1 81 LYS 3.252 0.351 1 0 "[ . 1 . 2]"
1 82 LYS 3.568 0.893 16 1 "[ . 1 .+ 2]"
1 83 SER 0.878 0.351 1 0 "[ . 1 . 2]"
1 84 THR 2.746 0.131 10 0 "[ . 1 . 2]"
1 85 ASN 11.602 0.365 9 0 "[ . 1 . 2]"
1 86 LYS 17.738 0.880 15 7 "[ * -**1 * + * 2]"
1 87 PHE 3.349 0.093 11 0 "[ . 1 . 2]"
1 88 CYS 5.476 0.286 3 0 "[ . 1 . 2]"
1 89 VAL 2.730 0.129 14 0 "[ . 1 . 2]"
1 90 THR 3.571 0.223 3 0 "[ . 1 . 2]"
1 91 CYS 2.218 0.163 20 0 "[ . 1 . 2]"
1 92 GLU 6.244 0.551 18 1 "[ . 1 . + 2]"
1 93 ASN 2.124 0.147 6 0 "[ . 1 . 2]"
1 94 GLN 18.689 0.587 16 4 "[ * 1 -+ *]"
1 95 ALA 7.505 0.439 19 0 "[ . 1 . 2]"
1 96 PRO 7.223 0.634 10 2 "[ . + . -2]"
1 97 VAL 7.106 0.600 6 2 "[ .+ 1- . 2]"
1 98 HIS 1.323 0.118 4 0 "[ . 1 . 2]"
1 99 PHE 0.813 0.071 20 0 "[ . 1 . 2]"
1 100 VAL 5.983 0.286 14 0 "[ . 1 . 2]"
1 101 GLY 3.016 0.119 12 0 "[ . 1 . 2]"
1 102 VAL 7.780 0.292 2 0 "[ . 1 . 2]"
1 103 GLY 2.527 0.292 2 0 "[ . 1 . 2]"
1 104 SER 12.087 0.716 17 6 "[ *- * 1 ** . + 2]"
1 105 CYS 8.629 0.716 17 6 "[ *- * 1 ** . + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN HE21 1 2 GLN QG 3.600 . 5.200 2.259 2.154 2.796 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP H 1 4 TRP H 3.700 . 5.400 4.309 4.236 4.351 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 3 ASP H 2.200 . 2.800 2.211 2.058 2.460 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP H 1 6 THR HB 2.800 . 3.800 2.149 1.739 2.853 0.061 11 0 "[ . 1 . 2]" 1
5 1 3 ASP H 1 3 ASP HB2 3.300 . 4.600 3.686 2.707 4.062 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP H 1 3 ASP HB3 3.200 . 4.500 3.309 3.009 3.874 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN HB2 1 3 ASP H 3.000 . 4.100 4.151 3.182 4.561 0.461 1 0 "[ . 1 . 2]" 1
8 1 3 ASP H 1 97 VAL MG1 3.800 . 5.700 4.677 3.958 4.985 . 0 0 "[ . 1 . 2]" 1
9 1 4 TRP HE1 1 8 GLN HE22 3.800 . 5.600 3.184 2.862 3.665 . 0 0 "[ . 1 . 2]" 1
10 1 4 TRP H 1 7 PHE H 4.000 . 6.000 4.581 4.513 4.728 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASP HA 1 4 TRP H 2.400 . 3.100 2.697 2.576 2.816 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP H 1 7 PHE HB3 4.100 . 6.000 4.894 4.480 5.078 . 0 0 "[ . 1 . 2]" 1
13 1 4 TRP H 1 4 TRP HB2 2.600 . 3.400 2.560 2.412 2.691 . 0 0 "[ . 1 . 2]" 1
14 1 4 TRP H 1 7 PHE HB2 2.300 . 6.000 4.810 4.437 5.047 . 0 0 "[ . 1 . 2]" 1
15 1 4 TRP H 1 97 VAL HB 3.900 . 5.800 4.489 3.649 5.247 . 0 0 "[ . 1 . 2]" 1
16 1 4 TRP H 1 95 ALA MB 3.300 . 6.000 3.721 3.460 4.038 . 0 0 "[ . 1 . 2]" 1
17 1 4 TRP H 1 5 LEU H 2.700 . 3.600 2.783 2.615 2.942 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU H 1 8 GLN H 3.400 . 4.900 4.703 4.580 4.938 0.038 6 0 "[ . 1 . 2]" 1
19 1 4 TRP HA 1 5 LEU H 3.500 . 5.100 3.550 3.508 3.571 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASP HA 1 5 LEU H 3.900 . 5.800 4.710 4.579 4.859 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU H 1 5 LEU HA 2.500 . 3.300 2.828 2.795 2.864 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP HB3 1 5 LEU H 2.600 . 3.500 2.708 2.545 2.885 . 0 0 "[ . 1 . 2]" 1
23 1 3 ASP HB3 1 5 LEU H 3.800 . 5.600 4.370 2.722 4.789 . 0 0 "[ . 1 . 2]" 1
24 1 5 LEU H 1 5 LEU HB3 2.400 . 6.000 3.575 3.544 3.609 . 0 0 "[ . 1 . 2]" 1
25 1 5 LEU H 1 5 LEU HB2 2.500 . 3.300 2.376 2.278 2.497 . 0 0 "[ . 1 . 2]" 1
26 1 5 LEU H 1 5 LEU MD1 3.300 . 4.700 3.352 2.002 3.733 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP H 1 6 THR H 4.000 . 6.000 4.313 4.126 4.671 . 0 0 "[ . 1 . 2]" 1
28 1 5 LEU H 1 6 THR H 2.600 . 3.400 2.622 2.467 2.814 . 0 0 "[ . 1 . 2]" 1
29 1 3 ASP H 1 6 THR H 3.300 . 4.700 3.204 2.797 3.655 . 0 0 "[ . 1 . 2]" 1
30 1 6 THR H 1 9 LYS H 4.100 . 6.000 5.141 4.966 5.371 . 0 0 "[ . 1 . 2]" 1
31 1 6 THR H 1 6 THR HB 2.600 . 3.400 2.578 2.510 2.655 . 0 0 "[ . 1 . 2]" 1
32 1 6 THR H 1 6 THR HA 2.500 . 3.300 2.855 2.823 2.881 . 0 0 "[ . 1 . 2]" 1
33 1 6 THR H 1 7 PHE HB2 3.800 . 5.600 4.682 4.534 4.819 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU HB3 1 6 THR H 2.900 . 3.900 3.522 3.250 3.801 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HB2 1 6 THR H 2.800 . 3.800 2.667 2.490 3.015 . 0 0 "[ . 1 . 2]" 1
36 1 6 THR H 1 6 THR MG 3.100 . 4.300 3.762 3.734 3.782 . 0 0 "[ . 1 . 2]" 1
37 1 6 THR H 1 7 PHE H 2.600 . 3.400 2.479 2.359 2.609 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE H 1 8 GLN H 2.700 . 3.600 2.708 2.659 2.769 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU H 1 7 PHE H 3.600 . 5.200 3.922 3.811 4.022 . 0 0 "[ . 1 . 2]" 1
40 1 3 ASP H 1 7 PHE H 3.400 . 4.900 3.545 3.092 3.825 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE H 1 9 LYS H 3.900 . 5.800 4.590 4.220 4.790 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE H 1 7 PHE QD 3.500 . 5.000 4.156 4.119 4.183 . 0 0 "[ . 1 . 2]" 1
43 1 7 PHE H 1 7 PHE HA 2.800 . 3.800 2.794 2.767 2.806 . 0 0 "[ . 1 . 2]" 1
44 1 7 PHE H 1 7 PHE HB3 2.400 . 3.100 2.588 2.529 2.640 . 0 0 "[ . 1 . 2]" 1
45 1 7 PHE H 1 7 PHE HB2 2.500 . 3.300 2.406 2.313 2.493 . 0 0 "[ . 1 . 2]" 1
46 1 6 THR MG 1 7 PHE H 3.100 . 4.300 3.651 3.548 3.820 . 0 0 "[ . 1 . 2]" 1
47 1 4 TRP HE1 1 8 GLN HE21 3.200 . 4.500 3.308 2.138 4.403 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLN HB2 1 8 GLN HE21 3.800 . 5.600 2.892 1.776 4.002 0.224 7 0 "[ . 1 . 2]" 1
49 1 8 GLN HB3 1 8 GLN HE21 3.600 . 5.300 3.859 2.761 4.455 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLN H 1 9 LYS H 2.700 . 3.600 2.951 2.787 3.012 . 0 0 "[ . 1 . 2]" 1
51 1 7 PHE QD 1 8 GLN H 3.200 . 4.500 3.418 3.266 3.523 . 0 0 "[ . 1 . 2]" 1
52 1 4 TRP HA 1 8 GLN H 3.500 . 5.000 3.914 3.702 4.035 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLN H 1 8 GLN HE22 3.800 . 5.600 5.333 4.921 5.604 0.004 20 0 "[ . 1 . 2]" 1
54 1 8 GLN H 1 8 GLN HB3 2.600 . 3.400 3.484 3.439 3.531 0.131 6 0 "[ . 1 . 2]" 1
55 1 9 LYS H 1 10 LYS H 2.600 . 3.400 2.744 2.673 2.805 . 0 0 "[ . 1 . 2]" 1
56 1 9 LYS H 1 11 HIS H 3.500 . 5.000 4.255 4.134 4.305 . 0 0 "[ . 1 . 2]" 1
57 1 7 PHE HA 1 9 LYS H 3.900 . 6.000 4.896 4.631 5.086 . 0 0 "[ . 1 . 2]" 1
58 1 6 THR HA 1 9 LYS H 2.800 . 3.800 3.681 3.228 3.866 0.066 8 0 "[ . 1 . 2]" 1
59 1 9 LYS H 1 9 LYS HB2 2.300 . 3.000 2.568 2.341 2.860 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS H 1 9 LYS HB3 2.600 . 6.000 3.561 3.503 3.579 . 0 0 "[ . 1 . 2]" 1
61 1 9 LYS H 1 9 LYS QD 2.600 . 3.400 3.457 3.076 3.726 0.326 1 0 "[ . 1 . 2]" 1
62 1 8 GLN H 1 10 LYS H 3.200 . 4.500 4.111 4.028 4.191 . 0 0 "[ . 1 . 2]" 1
63 1 10 LYS H 1 29 PHE QE 4.100 . 6.000 5.009 4.730 5.245 . 0 0 "[ . 1 . 2]" 1
64 1 10 LYS H 1 10 LYS HA 2.700 . 3.600 2.915 2.906 2.921 . 0 0 "[ . 1 . 2]" 1
65 1 9 LYS HB2 1 10 LYS H 2.700 . 3.600 2.783 2.598 2.949 . 0 0 "[ . 1 . 2]" 1
66 1 10 LYS H 1 10 LYS HB2 2.500 . 3.300 2.402 2.298 2.530 . 0 0 "[ . 1 . 2]" 1
67 1 11 HIS H 1 12 ILE H 2.400 . 3.100 1.908 1.805 2.050 . 0 0 "[ . 1 . 2]" 1
68 1 10 LYS H 1 11 HIS H 2.700 . 3.600 2.408 2.365 2.453 . 0 0 "[ . 1 . 2]" 1
69 1 10 LYS HA 1 11 HIS H 3.300 . 4.600 3.443 3.367 3.535 . 0 0 "[ . 1 . 2]" 1
70 1 8 GLN HA 1 11 HIS H 3.500 . 5.000 3.533 3.306 3.674 . 0 0 "[ . 1 . 2]" 1
71 1 11 HIS H 1 12 ILE HB 4.100 . 6.000 4.145 4.059 4.215 . 0 0 "[ . 1 . 2]" 1
72 1 11 HIS H 1 11 HIS HB3 2.800 . 3.800 3.845 3.807 3.875 0.075 16 0 "[ . 1 . 2]" 1
73 1 10 LYS HB2 1 11 HIS H 3.200 . 4.500 3.371 3.028 4.026 . 0 0 "[ . 1 . 2]" 1
74 1 10 LYS HB3 1 11 HIS H 3.800 . 5.600 4.007 3.240 4.286 . 0 0 "[ . 1 . 2]" 1
75 1 11 HIS HA 1 12 ILE H 3.900 . 6.000 3.375 3.295 3.447 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLN HA 1 12 ILE H 3.000 . 4.200 3.231 2.671 3.572 . 0 0 "[ . 1 . 2]" 1
77 1 12 ILE H 1 12 ILE HB 2.600 . 3.400 2.550 2.397 2.611 . 0 0 "[ . 1 . 2]" 1
78 1 11 HIS HB3 1 12 ILE H 3.500 . 5.000 4.155 4.018 4.336 . 0 0 "[ . 1 . 2]" 1
79 1 12 ILE H 1 12 ILE HG13 3.100 . 4.300 3.947 2.835 4.123 . 0 0 "[ . 1 . 2]" 1
80 1 12 ILE H 1 12 ILE HG12 3.200 . 4.400 2.786 2.564 4.457 0.057 6 0 "[ . 1 . 2]" 1
81 1 13 THR H 1 38 ILE H 3.600 . 5.200 3.236 3.087 3.392 . 0 0 "[ . 1 . 2]" 1
82 1 12 ILE H 1 13 THR H 3.800 . 5.600 4.293 4.192 4.395 . 0 0 "[ . 1 . 2]" 1
83 1 13 THR H 1 13 THR MG 2.300 . 2.900 2.300 2.145 2.401 . 0 0 "[ . 1 . 2]" 1
84 1 14 ASN H 1 14 ASN HD21 4.100 . 6.000 3.880 2.314 4.826 . 0 0 "[ . 1 . 2]" 1
85 1 14 ASN HB3 1 14 ASN HD21 3.200 . 4.500 2.868 2.161 3.511 . 0 0 "[ . 1 . 2]" 1
86 1 13 THR HB 1 14 ASN H 3.400 . 4.800 3.942 3.802 4.051 . 0 0 "[ . 1 . 2]" 1
87 1 13 THR MG 1 14 ASN H 3.300 . 4.700 3.482 3.215 3.753 . 0 0 "[ . 1 . 2]" 1
88 1 14 ASN H 1 15 THR MG 3.600 . 5.200 3.070 2.857 3.263 . 0 0 "[ . 1 . 2]" 1
89 1 15 THR H 1 16 ARG H 4.100 . 6.000 4.372 4.309 4.451 . 0 0 "[ . 1 . 2]" 1
90 1 14 ASN H 1 15 THR H 2.500 . 3.300 2.327 2.110 2.544 . 0 0 "[ . 1 . 2]" 1
91 1 14 ASN HD21 1 15 THR H 3.800 . 5.600 4.865 4.387 5.715 0.115 9 0 "[ . 1 . 2]" 1
92 1 15 THR H 1 39 TYR QD 3.300 . 4.700 2.866 2.599 3.422 . 0 0 "[ . 1 . 2]" 1
93 1 13 THR HB 1 15 THR H 3.500 . 5.000 4.256 4.143 4.351 . 0 0 "[ . 1 . 2]" 1
94 1 14 ASN HB2 1 15 THR H 3.800 . 5.600 4.300 3.583 4.444 . 0 0 "[ . 1 . 2]" 1
95 1 14 ASN HB3 1 15 THR H 3.800 . 5.600 4.321 3.607 4.596 . 0 0 "[ . 1 . 2]" 1
96 1 16 ARG HA 1 16 ARG HE 4.000 . 6.000 4.232 3.917 4.736 . 0 0 "[ . 1 . 2]" 1
97 1 16 ARG HE 1 65 TYR HB3 3.900 . 5.800 3.307 2.703 3.614 . 0 0 "[ . 1 . 2]" 1
98 1 16 ARG HB2 1 16 ARG HE 3.600 . 5.200 4.102 3.916 4.260 . 0 0 "[ . 1 . 2]" 1
99 1 16 ARG HB3 1 16 ARG HE 3.400 . 4.900 3.008 2.765 4.712 . 0 0 "[ . 1 . 2]" 1
100 1 16 ARG HH12 1 82 LYS HB3 3.900 . 5.800 2.286 1.966 2.861 0.034 12 0 "[ . 1 . 2]" 1
101 1 16 ARG H 1 17 ASP H 2.500 . 3.300 2.558 2.278 2.897 . 0 0 "[ . 1 . 2]" 1
102 1 16 ARG H 1 39 TYR QD 3.800 . 5.600 3.854 3.485 4.177 . 0 0 "[ . 1 . 2]" 1
103 1 15 THR HB 1 16 ARG H 3.600 . 5.200 4.036 3.935 4.204 . 0 0 "[ . 1 . 2]" 1
104 1 16 ARG H 1 16 ARG QD 3.700 . 5.400 3.737 3.501 4.124 . 0 0 "[ . 1 . 2]" 1
105 1 16 ARG H 1 16 ARG HB2 2.900 . 3.900 2.386 2.287 2.502 . 0 0 "[ . 1 . 2]" 1
106 1 15 THR MG 1 16 ARG H 3.000 . 4.100 3.827 3.546 4.002 . 0 0 "[ . 1 . 2]" 1
107 1 17 ASP H 1 17 ASP HA 2.700 . 6.000 2.927 2.890 2.950 . 0 0 "[ . 1 . 2]" 1
108 1 15 THR HA 1 17 ASP H 3.500 . 5.000 4.089 3.689 4.670 . 0 0 "[ . 1 . 2]" 1
109 1 15 THR HB 1 17 ASP H 3.700 . 6.000 4.629 4.219 5.280 . 0 0 "[ . 1 . 2]" 1
110 1 16 ARG HA 1 17 ASP H 3.500 . 5.000 3.499 3.415 3.593 . 0 0 "[ . 1 . 2]" 1
111 1 16 ARG HB2 1 17 ASP H 3.000 . 4.100 2.829 2.387 3.796 . 0 0 "[ . 1 . 2]" 1
112 1 16 ARG HB3 1 17 ASP H 3.100 . 4.300 3.548 2.479 3.914 . 0 0 "[ . 1 . 2]" 1
113 1 15 THR MG 1 17 ASP H 2.900 . 3.900 3.413 2.865 3.887 . 0 0 "[ . 1 . 2]" 1
114 1 17 ASP H 1 18 VAL QG 4.100 . 6.000 4.857 4.480 5.050 . 0 0 "[ . 1 . 2]" 1
115 1 18 VAL H 1 19 ASP H 3.600 . 5.200 4.561 4.485 4.616 . 0 0 "[ . 1 . 2]" 1
116 1 17 ASP H 1 18 VAL H 3.400 . 4.800 3.867 3.670 4.039 . 0 0 "[ . 1 . 2]" 1
117 1 17 ASP HA 1 18 VAL H 2.200 . 2.800 2.267 2.184 2.456 . 0 0 "[ . 1 . 2]" 1
118 1 18 VAL H 1 67 SER HB3 3.700 . 5.400 3.407 3.140 3.919 . 0 0 "[ . 1 . 2]" 1
119 1 18 VAL H 1 67 SER HB2 3.900 . 5.800 4.009 3.814 4.309 . 0 0 "[ . 1 . 2]" 1
120 1 18 VAL H 1 18 VAL HA 2.600 . 3.400 2.861 2.822 2.909 . 0 0 "[ . 1 . 2]" 1
121 1 18 VAL H 1 18 VAL HB 2.400 . 3.100 2.892 2.606 3.051 . 0 0 "[ . 1 . 2]" 1
122 1 18 VAL H 1 80 LEU QD 2.500 . 3.300 2.518 1.787 2.783 . 0 0 "[ . 1 . 2]" 1
123 1 15 THR MG 1 18 VAL H 3.300 . 4.700 3.366 3.095 3.654 . 0 0 "[ . 1 . 2]" 1
124 1 18 VAL H 1 18 VAL QG 2.200 . 2.800 1.890 1.761 2.203 0.039 5 0 "[ . 1 . 2]" 1
125 1 19 ASP H 1 19 ASP HA 2.700 . 3.600 2.860 2.825 2.885 . 0 0 "[ . 1 . 2]" 1
126 1 18 VAL HA 1 19 ASP H 2.000 . 2.500 2.190 2.138 2.244 . 0 0 "[ . 1 . 2]" 1
127 1 19 ASP H 1 19 ASP HB2 2.500 . 3.300 2.524 2.281 2.654 . 0 0 "[ . 1 . 2]" 1
128 1 19 ASP H 1 19 ASP HB3 2.500 . 3.300 2.814 2.487 3.553 0.253 13 0 "[ . 1 . 2]" 1
129 1 15 THR MG 1 19 ASP H 3.600 . 5.200 3.554 2.919 4.146 . 0 0 "[ . 1 . 2]" 1
130 1 18 VAL QG 1 19 ASP H . . 3.100 2.508 2.302 2.754 . 0 0 "[ . 1 . 2]" 1
131 1 20 CYS H 1 21 ASP H 2.800 . 3.700 2.894 2.784 3.075 . 0 0 "[ . 1 . 2]" 1
132 1 19 ASP H 1 20 CYS H 3.400 . 4.800 3.839 3.585 4.024 . 0 0 "[ . 1 . 2]" 1
133 1 19 ASP HA 1 20 CYS H 2.100 . 2.700 2.322 2.178 2.483 . 0 0 "[ . 1 . 2]" 1
134 1 20 CYS H 1 20 CYS HA 2.500 . 3.300 2.744 2.735 2.764 . 0 0 "[ . 1 . 2]" 1
135 1 18 VAL HA 1 20 CYS H 3.900 . 5.800 4.791 4.366 5.026 . 0 0 "[ . 1 . 2]" 1
136 1 20 CYS H 1 20 CYS HB2 2.600 . 3.400 2.692 2.273 3.236 . 0 0 "[ . 1 . 2]" 1
137 1 20 CYS H 1 78 TYR QB 3.600 . 5.200 4.586 4.307 5.128 . 0 0 "[ . 1 . 2]" 1
138 1 19 ASP HB3 1 20 CYS H 3.300 . 4.700 4.362 4.127 4.452 . 0 0 "[ . 1 . 2]" 1
139 1 20 CYS H 1 20 CYS HB3 2.900 . 4.000 3.520 3.326 3.565 . 0 0 "[ . 1 . 2]" 1
140 1 20 CYS H 1 80 LEU QD 4.000 . 5.800 3.674 3.217 4.263 . 0 0 "[ . 1 . 2]" 1
141 1 18 VAL QG 1 20 CYS H . . 3.600 2.905 2.584 3.094 . 0 0 "[ . 1 . 2]" 1
142 1 21 ASP H 1 23 ILE H 3.700 . 5.400 4.395 4.187 4.528 . 0 0 "[ . 1 . 2]" 1
143 1 21 ASP H 1 22 ASN H 2.700 . 3.600 2.840 2.637 3.192 . 0 0 "[ . 1 . 2]" 1
144 1 19 ASP HA 1 21 ASP H 3.400 . 4.800 3.689 3.175 4.109 . 0 0 "[ . 1 . 2]" 1
145 1 21 ASP H 1 21 ASP HA 2.900 . 3.900 2.771 2.687 2.854 . 0 0 "[ . 1 . 2]" 1
146 1 20 CYS HB2 1 21 ASP H 2.600 . 3.500 2.536 2.313 3.039 . 0 0 "[ . 1 . 2]" 1
147 1 21 ASP H 1 21 ASP HB2 2.900 . 4.000 2.638 2.052 3.633 . 0 0 "[ . 1 . 2]" 1
148 1 21 ASP H 1 21 ASP HB3 2.500 . 3.300 2.977 2.434 3.607 0.307 1 0 "[ . 1 . 2]" 1
149 1 19 ASP HB3 1 21 ASP H 3.900 . 5.800 4.922 4.328 5.566 . 0 0 "[ . 1 . 2]" 1
150 1 22 ASN HB3 1 22 ASN HD21 3.000 . 4.100 2.574 2.183 3.477 . 0 0 "[ . 1 . 2]" 1
151 1 19 ASP HB3 1 22 ASN HD21 3.600 . 6.000 4.623 3.479 6.089 0.089 7 0 "[ . 1 . 2]" 1
152 1 22 ASN HB3 1 22 ASN HD22 3.100 . 4.300 3.636 3.464 4.058 . 0 0 "[ . 1 . 2]" 1
153 1 22 ASN H 1 24 LEU H 3.700 . 5.400 3.795 3.268 4.172 . 0 0 "[ . 1 . 2]" 1
154 1 22 ASN H 1 22 ASN HD21 4.000 . 6.000 4.737 4.469 4.912 . 0 0 "[ . 1 . 2]" 1
155 1 22 ASN H 1 23 ILE H 2.400 . 3.100 2.313 1.938 2.553 . 0 0 "[ . 1 . 2]" 1
156 1 22 ASN H 1 22 ASN HA 2.600 . 3.400 2.921 2.872 2.946 . 0 0 "[ . 1 . 2]" 1
157 1 21 ASP HA 1 22 ASN H 3.400 . 4.800 3.482 3.239 3.588 . 0 0 "[ . 1 . 2]" 1
158 1 22 ASN H 1 22 ASN HB3 2.300 . 3.000 2.572 2.466 2.738 . 0 0 "[ . 1 . 2]" 1
159 1 22 ASN H 1 23 ILE HB 3.400 . 4.800 4.390 3.908 4.726 . 0 0 "[ . 1 . 2]" 1
160 1 23 ILE H 1 24 LEU H 2.500 . 3.300 2.761 2.588 2.911 . 0 0 "[ . 1 . 2]" 1
161 1 23 ILE H 1 25 SER H 3.500 . 5.100 3.998 3.868 4.144 . 0 0 "[ . 1 . 2]" 1
162 1 22 ASN HA 1 23 ILE H 3.200 . 4.500 3.533 3.509 3.555 . 0 0 "[ . 1 . 2]" 1
163 1 23 ILE H 1 23 ILE HA 2.700 . 3.600 2.804 2.771 2.842 . 0 0 "[ . 1 . 2]" 1
164 1 20 CYS HA 1 23 ILE H 3.500 . 5.000 3.699 3.252 4.132 . 0 0 "[ . 1 . 2]" 1
165 1 19 ASP HB2 1 23 ILE H 3.900 . 5.800 4.818 3.029 5.513 . 0 0 "[ . 1 . 2]" 1
166 1 22 ASN HB2 1 23 ILE H 2.700 . 3.600 3.682 3.615 3.752 0.152 2 0 "[ . 1 . 2]" 1
167 1 23 ILE H 1 26 THR MG 3.400 . 4.900 4.780 4.488 4.989 0.089 14 0 "[ . 1 . 2]" 1
168 1 23 ILE H 1 23 ILE HG13 2.200 . 2.800 2.288 2.086 3.620 0.820 2 1 "[ + . 1 . 2]" 1
169 1 23 ILE H 1 23 ILE MG 2.800 . 3.800 3.759 3.743 3.770 . 0 0 "[ . 1 . 2]" 1
170 1 23 ILE H 1 24 LEU QD 3.700 . 5.400 4.502 4.024 5.001 . 0 0 "[ . 1 . 2]" 1
171 1 24 LEU H 1 25 SER H 2.700 . 3.600 2.495 2.401 2.639 . 0 0 "[ . 1 . 2]" 1
172 1 22 ASN HA 1 24 LEU H 3.700 . 5.400 4.510 4.326 4.674 . 0 0 "[ . 1 . 2]" 1
173 1 23 ILE HA 1 24 LEU H 3.500 . 5.000 3.554 3.533 3.594 . 0 0 "[ . 1 . 2]" 1
174 1 20 CYS HA 1 24 LEU H 3.500 . 5.100 3.091 2.426 3.547 . 0 0 "[ . 1 . 2]" 1
175 1 23 ILE MG 1 24 LEU H 2.800 . 3.800 3.389 3.185 3.515 . 0 0 "[ . 1 . 2]" 1
176 1 25 SER H 1 25 SER HA 2.900 . 3.900 2.897 2.875 2.921 . 0 0 "[ . 1 . 2]" 1
177 1 22 ASN HA 1 25 SER H 2.700 . 3.600 3.688 3.572 3.748 0.148 5 0 "[ . 1 . 2]" 1
178 1 23 ILE HA 1 25 SER H 4.000 . 6.000 3.911 3.733 4.083 . 0 0 "[ . 1 . 2]" 1
179 1 24 LEU QB 1 25 SER H 3.000 . 4.100 3.228 3.161 3.340 . 0 0 "[ . 1 . 2]" 1
180 1 26 THR H 1 31 CYS H 4.000 . 6.000 4.643 4.270 5.092 . 0 0 "[ . 1 . 2]" 1
181 1 26 THR H 1 27 ASN H 3.700 . 5.400 4.572 4.480 4.607 . 0 0 "[ . 1 . 2]" 1
182 1 24 LEU H 1 26 THR H 3.900 . 5.800 4.212 4.115 4.304 . 0 0 "[ . 1 . 2]" 1
183 1 25 SER H 1 26 THR H 2.500 . 3.300 2.429 2.324 2.529 . 0 0 "[ . 1 . 2]" 1
184 1 25 SER HA 1 26 THR H 3.000 . 4.100 3.291 3.178 3.408 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU HA 1 26 THR H 3.400 . 4.800 3.484 3.372 3.682 . 0 0 "[ . 1 . 2]" 1
186 1 26 THR H 1 29 PHE HB2 3.500 . 5.000 3.902 3.475 4.229 . 0 0 "[ . 1 . 2]" 1
187 1 27 ASN H 1 27 ASN HD22 3.900 . 5.800 5.679 4.142 5.856 0.056 18 0 "[ . 1 . 2]" 1
188 1 27 ASN H 1 28 LEU H 2.700 . 3.600 2.549 2.310 2.921 . 0 0 "[ . 1 . 2]" 1
189 1 26 THR HA 1 27 ASN H 2.300 . 2.900 2.495 2.394 2.655 . 0 0 "[ . 1 . 2]" 1
190 1 27 ASN H 1 27 ASN HB3 2.400 . 3.100 2.631 2.414 3.485 0.385 3 0 "[ . 1 . 2]" 1
191 1 27 ASN HD21 1 28 LEU H 3.000 . 6.000 5.120 4.137 5.976 . 0 0 "[ . 1 . 2]" 1
192 1 28 LEU H 1 30 HIS HD2 2.900 . 6.000 5.733 4.923 6.065 0.065 1 0 "[ . 1 . 2]" 1
193 1 28 LEU H 1 29 PHE QD 2.800 . 6.000 4.125 3.763 4.324 . 0 0 "[ . 1 . 2]" 1
194 1 28 LEU H 1 29 PHE H 2.500 . 3.300 2.470 1.831 2.708 . 0 0 "[ . 1 . 2]" 1
195 1 28 LEU H 1 28 LEU HA 2.500 . 3.300 2.851 2.786 2.938 . 0 0 "[ . 1 . 2]" 1
196 1 28 LEU H 1 29 PHE QB 3.800 . 5.600 4.665 4.032 4.911 . 0 0 "[ . 1 . 2]" 1
197 1 27 ASN HB3 1 28 LEU H 3.000 . 4.100 3.359 2.955 4.354 0.254 3 0 "[ . 1 . 2]" 1
198 1 26 THR MG 1 28 LEU H 3.700 . 5.400 4.055 3.907 4.194 . 0 0 "[ . 1 . 2]" 1
199 1 28 LEU H 1 28 LEU HB2 2.300 . 3.000 2.558 2.423 2.960 . 0 0 "[ . 1 . 2]" 1
200 1 28 LEU H 1 28 LEU HB3 2.400 . 3.100 2.472 2.384 2.571 . 0 0 "[ . 1 . 2]" 1
201 1 28 LEU H 1 28 LEU MD2 3.500 . 6.000 4.236 4.165 4.409 . 0 0 "[ . 1 . 2]" 1
202 1 29 PHE H 1 31 CYS H 3.700 . 5.400 4.243 3.918 4.699 . 0 0 "[ . 1 . 2]" 1
203 1 29 PHE H 1 30 HIS HA 3.400 . 4.900 3.984 3.751 4.223 . 0 0 "[ . 1 . 2]" 1
204 1 30 HIS H 1 31 CYS H 2.600 . 3.500 2.734 2.542 3.088 . 0 0 "[ . 1 . 2]" 1
205 1 28 LEU H 1 30 HIS H 3.500 . 5.100 3.715 2.930 3.998 . 0 0 "[ . 1 . 2]" 1
206 1 29 PHE QD 1 30 HIS H 3.100 . 4.300 3.998 3.706 4.150 . 0 0 "[ . 1 . 2]" 1
207 1 29 PHE H 1 30 HIS H 2.200 . 2.800 1.818 1.594 2.095 0.006 12 0 "[ . 1 . 2]" 1
208 1 27 ASN HA 1 30 HIS H 3.100 . 4.300 3.391 3.103 3.822 . 0 0 "[ . 1 . 2]" 1
209 1 29 PHE HB2 1 30 HIS H 2.900 . 4.000 2.698 2.301 2.986 . 0 0 "[ . 1 . 2]" 1
210 1 31 CYS H 1 32 LYS H 2.700 . 3.600 3.097 2.925 3.363 . 0 0 "[ . 1 . 2]" 1
211 1 25 SER HA 1 31 CYS H 3.000 . 4.100 3.280 2.736 3.696 . 0 0 "[ . 1 . 2]" 1
212 1 31 CYS H 1 31 CYS HA 2.200 . 2.800 2.253 2.240 2.266 . 0 0 "[ . 1 . 2]" 1
213 1 30 HIS HA 1 31 CYS H 2.600 . 3.500 2.719 2.372 2.939 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU HA 1 31 CYS H 3.700 . 5.400 4.203 4.027 4.400 . 0 0 "[ . 1 . 2]" 1
215 1 31 CYS H 1 31 CYS HB2 3.200 . 4.500 3.664 3.263 4.001 . 0 0 "[ . 1 . 2]" 1
216 1 29 PHE QB 1 31 CYS H 3.000 . 4.200 2.825 2.639 3.098 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU HB3 1 31 CYS H 3.500 . 5.000 3.645 3.147 3.906 . 0 0 "[ . 1 . 2]" 1
218 1 32 LYS H 1 32 LYS HE3 3.700 . 5.400 4.049 1.390 5.854 0.610 1 1 "[+ . 1 . 2]" 1
219 1 29 PHE QB 1 32 LYS H 2.900 . 4.000 2.904 2.603 3.259 . 0 0 "[ . 1 . 2]" 1
220 1 32 LYS H 1 32 LYS HB3 2.500 . 3.300 2.516 2.299 2.712 . 0 0 "[ . 1 . 2]" 1
221 1 32 LYS H 1 35 ASN HB2 3.100 . 6.000 5.350 4.966 6.020 0.020 9 0 "[ . 1 . 2]" 1
222 1 24 LEU QD 1 32 LYS H 3.700 . 5.400 3.892 3.427 4.384 . 0 0 "[ . 1 . 2]" 1
223 1 33 ASP H 1 34 LYS H 2.600 . 3.500 2.828 2.597 3.112 . 0 0 "[ . 1 . 2]" 1
224 1 32 LYS HA 1 33 ASP H 2.100 . 2.700 2.529 2.317 2.718 0.018 15 0 "[ . 1 . 2]" 1
225 1 32 LYS HB2 1 33 ASP H 2.700 . 3.600 2.344 1.958 2.775 . 0 0 "[ . 1 . 2]" 1
226 1 32 LYS HB3 1 33 ASP H 3.100 . 4.300 3.778 3.493 4.046 . 0 0 "[ . 1 . 2]" 1
227 1 32 LYS HG2 1 33 ASP H 3.200 . 4.500 3.757 2.876 4.509 0.009 12 0 "[ . 1 . 2]" 1
228 1 33 ASP H 1 71 VAL QG 3.800 . 5.600 4.695 4.081 4.914 . 0 0 "[ . 1 . 2]" 1
229 1 33 ASP HA 1 34 LYS H 3.100 . 4.300 3.567 3.536 3.595 . 0 0 "[ . 1 . 2]" 1
230 1 32 LYS HE2 1 34 LYS H 3.900 . 5.800 4.599 3.261 5.754 . 0 0 "[ . 1 . 2]" 1
231 1 32 LYS HB2 1 34 LYS H 3.500 . 5.100 3.587 3.068 3.953 . 0 0 "[ . 1 . 2]" 1
232 1 34 LYS H 1 34 LYS QB 3.100 . 3.800 3.134 2.520 3.383 . 0 0 "[ . 1 . 2]" 1
233 1 34 LYS H 1 34 LYS QD 2.800 . 3.800 3.185 2.086 4.020 0.220 5 0 "[ . 1 . 2]" 1
234 1 34 LYS H 1 34 LYS QG 3.000 . 6.000 2.797 2.138 4.301 . 0 0 "[ . 1 . 2]" 1
235 1 35 ASN HD22 1 37 PHE QE 3.200 . 4.500 3.513 3.317 3.674 . 0 0 "[ . 1 . 2]" 1
236 1 35 ASN HB2 1 35 ASN HD22 3.000 . 4.100 3.997 3.799 4.059 . 0 0 "[ . 1 . 2]" 1
237 1 11 HIS HE1 1 35 ASN HD22 3.900 . 5.800 4.302 3.925 4.677 . 0 0 "[ . 1 . 2]" 1
238 1 29 PHE QE 1 35 ASN HD22 3.600 . 5.200 2.540 2.063 3.047 . 0 0 "[ . 1 . 2]" 1
239 1 29 PHE HZ 1 35 ASN HD22 3.100 . 4.300 3.797 3.453 4.322 0.022 8 0 "[ . 1 . 2]" 1
240 1 35 ASN H 1 69 CYS H 3.000 . 4.100 3.082 2.686 3.267 . 0 0 "[ . 1 . 2]" 1
241 1 34 LYS H 1 35 ASN H 3.700 . 5.400 4.367 4.250 4.438 . 0 0 "[ . 1 . 2]" 1
242 1 34 LYS HA 1 35 ASN H 2.100 . 2.700 2.349 2.189 2.527 . 0 0 "[ . 1 . 2]" 1
243 1 35 ASN H 1 35 ASN HA 2.700 . 3.600 2.897 2.857 2.936 . 0 0 "[ . 1 . 2]" 1
244 1 35 ASN H 1 69 CYS HB2 3.200 . 4.500 3.220 2.749 4.394 . 0 0 "[ . 1 . 2]" 1
245 1 34 LYS QB 1 35 ASN H 3.200 . 3.800 2.569 2.089 3.574 . 0 0 "[ . 1 . 2]" 1
246 1 11 HIS HE1 1 36 THR H 3.500 . 5.000 3.402 2.965 3.908 . 0 0 "[ . 1 . 2]" 1
247 1 36 THR H 1 68 ASP HA 4.100 . 6.000 4.590 4.236 4.852 . 0 0 "[ . 1 . 2]" 1
248 1 35 ASN HA 1 36 THR H 2.200 . 2.800 2.163 2.134 2.226 . 0 0 "[ . 1 . 2]" 1
249 1 35 ASN HD21 1 36 THR H 4.000 . 6.000 4.126 3.663 4.971 . 0 0 "[ . 1 . 2]" 1
250 1 36 THR H 1 36 THR HB 2.500 . 3.300 2.617 2.551 2.701 . 0 0 "[ . 1 . 2]" 1
251 1 35 ASN HB3 1 36 THR H 3.500 . 5.000 4.153 3.914 4.306 . 0 0 "[ . 1 . 2]" 1
252 1 35 ASN HB2 1 36 THR H 3.700 . 5.400 4.352 4.164 4.503 . 0 0 "[ . 1 . 2]" 1
253 1 36 THR H 1 36 THR MG 3.400 . 4.900 3.808 3.774 3.871 . 0 0 "[ . 1 . 2]" 1
254 1 37 PHE H 1 67 SER H 2.900 . 3.900 3.159 2.927 3.388 . 0 0 "[ . 1 . 2]" 1
255 1 37 PHE H 1 37 PHE QD 2.800 . 3.800 2.366 2.164 2.526 . 0 0 "[ . 1 . 2]" 1
256 1 37 PHE H 1 68 ASP HA 3.100 . 4.300 3.110 2.692 3.543 . 0 0 "[ . 1 . 2]" 1
257 1 37 PHE H 1 37 PHE HA 3.000 . 4.100 2.928 2.915 2.945 . 0 0 "[ . 1 . 2]" 1
258 1 37 PHE H 1 37 PHE HB2 2.900 . 4.000 2.479 2.448 2.514 . 0 0 "[ . 1 . 2]" 1
259 1 37 PHE H 1 37 PHE HB3 3.200 . 6.000 3.661 3.641 3.692 . 0 0 "[ . 1 . 2]" 1
260 1 37 PHE H 1 66 LEU MD2 4.000 . 6.000 4.983 4.750 5.195 . 0 0 "[ . 1 . 2]" 1
261 1 37 PHE QD 1 38 ILE H 3.700 . 5.400 3.815 3.656 3.995 . 0 0 "[ . 1 . 2]" 1
262 1 37 PHE HA 1 38 ILE H 2.500 . 3.300 2.285 2.218 2.350 . 0 0 "[ . 1 . 2]" 1
263 1 11 HIS HA 1 38 ILE H 3.800 . 5.700 3.424 3.180 3.633 . 0 0 "[ . 1 . 2]" 1
264 1 37 PHE HB2 1 38 ILE H 3.900 . 5.800 3.763 3.652 3.905 . 0 0 "[ . 1 . 2]" 1
265 1 37 PHE HB3 1 38 ILE H 3.100 . 4.300 2.604 2.443 2.795 . 0 0 "[ . 1 . 2]" 1
266 1 38 ILE H 1 38 ILE HG13 2.700 . 3.600 2.592 2.435 2.704 . 0 0 "[ . 1 . 2]" 1
267 1 39 TYR H 1 67 SER H 3.900 . 5.800 4.063 3.839 4.247 . 0 0 "[ . 1 . 2]" 1
268 1 39 TYR H 1 39 TYR QD 3.600 . 5.300 4.204 4.169 4.222 . 0 0 "[ . 1 . 2]" 1
269 1 39 TYR H 1 65 TYR HB2 3.700 . 5.400 3.521 3.156 3.717 . 0 0 "[ . 1 . 2]" 1
270 1 39 TYR H 1 39 TYR HB2 2.700 . 3.600 2.796 2.724 2.851 . 0 0 "[ . 1 . 2]" 1
271 1 39 TYR H 1 65 TYR HB3 4.100 . 6.000 4.467 4.290 4.629 . 0 0 "[ . 1 . 2]" 1
272 1 39 TYR H 1 40 SER H 3.600 . 5.200 4.018 3.889 4.156 . 0 0 "[ . 1 . 2]" 1
273 1 13 THR H 1 40 SER H 3.300 . 4.600 3.367 3.037 3.614 . 0 0 "[ . 1 . 2]" 1
274 1 40 SER H 1 41 ARG H 3.400 . 4.800 4.245 4.144 4.302 . 0 0 "[ . 1 . 2]" 1
275 1 39 TYR QD 1 40 SER H 3.100 . 4.300 4.030 3.764 4.207 . 0 0 "[ . 1 . 2]" 1
276 1 39 TYR HA 1 40 SER H 2.100 . 2.700 2.177 2.139 2.230 . 0 0 "[ . 1 . 2]" 1
277 1 40 SER H 1 40 SER HA 2.800 . 3.800 2.812 2.784 2.852 . 0 0 "[ . 1 . 2]" 1
278 1 40 SER H 1 40 SER HB3 2.900 . 3.900 3.393 3.120 3.970 0.070 18 0 "[ . 1 . 2]" 1
279 1 41 ARG HE 1 41 ARG HH22 3.800 . 5.600 3.494 3.473 3.509 . 0 0 "[ . 1 . 2]" 1
280 1 41 ARG HB3 1 41 ARG HE 3.400 . 4.800 4.266 2.291 4.717 . 0 0 "[ . 1 . 2]" 1
281 1 41 ARG HE 1 42 PRO HD3 3.900 . 5.800 5.437 3.195 5.976 0.176 19 0 "[ . 1 . 2]" 1
282 1 41 ARG H 1 45 VAL H 4.000 . 6.000 5.065 4.571 5.423 . 0 0 "[ . 1 . 2]" 1
283 1 41 ARG H 1 41 ARG HA 2.800 . 3.800 2.876 2.825 2.938 . 0 0 "[ . 1 . 2]" 1
284 1 40 SER HA 1 41 ARG H 2.200 . 2.800 2.447 2.245 2.680 . 0 0 "[ . 1 . 2]" 1
285 1 40 SER HB2 1 41 ARG H 3.800 . 6.000 3.892 3.676 4.079 . 0 0 "[ . 1 . 2]" 1
286 1 40 SER HB3 1 41 ARG H 3.700 . 5.400 3.272 2.622 3.872 . 0 0 "[ . 1 . 2]" 1
287 1 41 ARG H 1 41 ARG HB3 2.800 . 3.800 3.605 3.464 3.683 . 0 0 "[ . 1 . 2]" 1
288 1 41 ARG H 1 44 PRO HD3 3.200 . 4.500 4.512 4.310 4.765 0.265 9 0 "[ . 1 . 2]" 1
289 1 41 ARG H 1 41 ARG HG2 2.600 . 3.400 2.844 2.340 4.338 0.938 2 1 "[ + . 1 . 2]" 1
290 1 41 ARG H 1 41 ARG HB2 2.400 . 3.100 2.412 2.161 2.603 . 0 0 "[ . 1 . 2]" 1
291 1 41 ARG H 1 43 GLU H 4.000 . 6.000 5.026 4.847 5.264 . 0 0 "[ . 1 . 2]" 1
292 1 41 ARG HA 1 43 GLU H 3.800 . 5.600 4.134 4.031 4.224 . 0 0 "[ . 1 . 2]" 1
293 1 43 GLU H 1 44 PRO HD3 2.400 . 3.100 3.200 2.937 3.252 0.152 11 0 "[ . 1 . 2]" 1
294 1 43 GLU H 1 43 GLU HG2 3.300 . 4.700 3.053 2.324 3.907 . 0 0 "[ . 1 . 2]" 1
295 1 43 GLU H 1 43 GLU HG3 2.600 . 3.400 3.229 2.216 3.918 0.518 3 2 "[ + . 1 . -2]" 1
296 1 43 GLU H 1 43 GLU HB2 2.300 . 3.000 2.360 2.258 2.574 . 0 0 "[ . 1 . 2]" 1
297 1 43 GLU H 1 44 PRO QB 3.800 . 6.000 5.152 4.925 5.238 . 0 0 "[ . 1 . 2]" 1
298 1 41 ARG HB2 1 43 GLU H 3.300 . 4.700 3.391 2.975 3.675 . 0 0 "[ . 1 . 2]" 1
299 1 45 VAL H 1 46 LYS H 2.400 . 3.100 2.292 2.249 2.341 . 0 0 "[ . 1 . 2]" 1
300 1 45 VAL H 1 64 PHE QE 3.500 . 6.000 5.350 4.891 5.679 . 0 0 "[ . 1 . 2]" 1
301 1 45 VAL H 1 45 VAL HA 2.700 . 3.600 2.911 2.903 2.915 . 0 0 "[ . 1 . 2]" 1
302 1 45 VAL H 1 45 VAL HB 2.400 . 3.100 2.490 2.464 2.508 . 0 0 "[ . 1 . 2]" 1
303 1 45 VAL H 1 46 LYS HB2 4.000 . 6.000 4.540 4.428 4.720 . 0 0 "[ . 1 . 2]" 1
304 1 12 ILE MD 1 45 VAL H 3.500 . 5.000 4.551 4.312 5.111 0.111 6 0 "[ . 1 . 2]" 1
305 1 46 LYS H 1 47 ALA H 2.400 . 3.100 2.465 2.424 2.520 . 0 0 "[ . 1 . 2]" 1
306 1 46 LYS H 1 48 ILE H 3.700 . 5.400 4.034 3.954 4.151 . 0 0 "[ . 1 . 2]" 1
307 1 4 TRP HH2 1 46 LYS H 3.100 . 4.300 3.084 2.884 3.176 . 0 0 "[ . 1 . 2]" 1
308 1 43 GLU HA 1 46 LYS H 3.200 . 4.500 3.406 3.197 3.667 . 0 0 "[ . 1 . 2]" 1
309 1 45 VAL HA 1 46 LYS H 3.500 . 5.000 3.515 3.492 3.541 . 0 0 "[ . 1 . 2]" 1
310 1 45 VAL HB 1 46 LYS H 2.700 . 3.600 2.777 2.701 2.867 . 0 0 "[ . 1 . 2]" 1
311 1 46 LYS H 1 46 LYS HB3 2.600 . 3.400 2.614 2.550 2.670 . 0 0 "[ . 1 . 2]" 1
312 1 46 LYS H 1 46 LYS HB2 2.200 . 2.800 2.426 2.352 2.520 . 0 0 "[ . 1 . 2]" 1
313 1 45 VAL MG1 1 46 LYS H 3.300 . 4.600 3.518 3.472 3.566 . 0 0 "[ . 1 . 2]" 1
314 1 47 ALA H 1 48 ILE H 2.700 . 3.600 2.624 2.527 2.678 . 0 0 "[ . 1 . 2]" 1
315 1 47 ALA H 1 50 LYS H 3.600 . 5.200 5.066 4.753 5.254 0.054 19 0 "[ . 1 . 2]" 1
316 1 47 ALA H 1 49 CYS H 3.600 . 5.200 4.198 4.131 4.290 . 0 0 "[ . 1 . 2]" 1
317 1 45 VAL H 1 47 ALA H 3.400 . 4.900 3.539 3.400 3.596 . 0 0 "[ . 1 . 2]" 1
318 1 44 PRO HA 1 47 ALA H 2.900 . 4.000 3.467 3.368 3.616 . 0 0 "[ . 1 . 2]" 1
319 1 43 GLU HA 1 47 ALA H 3.600 . 5.200 4.132 3.938 4.365 . 0 0 "[ . 1 . 2]" 1
320 1 47 ALA H 1 47 ALA HA 2.300 . 3.000 2.817 2.801 2.847 . 0 0 "[ . 1 . 2]" 1
321 1 46 LYS HA 1 47 ALA H 3.300 . 4.600 3.466 3.428 3.493 . 0 0 "[ . 1 . 2]" 1
322 1 45 VAL HB 1 47 ALA H 4.100 . 6.000 4.877 4.705 4.970 . 0 0 "[ . 1 . 2]" 1
323 1 47 ALA H 1 48 ILE HG13 3.500 . 6.000 3.889 3.744 3.982 . 0 0 "[ . 1 . 2]" 1
324 1 46 LYS HB3 1 47 ALA H 2.600 . 3.500 2.837 2.717 3.001 . 0 0 "[ . 1 . 2]" 1
325 1 47 ALA H 1 47 ALA MB 2.000 . 2.500 2.232 2.210 2.252 . 0 0 "[ . 1 . 2]" 1
326 1 48 ILE H 1 50 LYS H 3.000 . 4.100 3.896 3.706 4.028 . 0 0 "[ . 1 . 2]" 1
327 1 48 ILE H 1 49 CYS H 2.500 . 3.300 2.528 2.438 2.600 . 0 0 "[ . 1 . 2]" 1
328 1 47 ALA HA 1 48 ILE H 2.700 . 3.600 3.441 3.406 3.466 . 0 0 "[ . 1 . 2]" 1
329 1 48 ILE H 1 48 ILE HA 2.500 . 3.300 2.827 2.809 2.846 . 0 0 "[ . 1 . 2]" 1
330 1 46 LYS HB3 1 48 ILE H 3.600 . 5.200 4.920 4.810 5.019 . 0 0 "[ . 1 . 2]" 1
331 1 48 ILE H 1 48 ILE HG12 2.500 . 3.300 3.302 3.255 3.319 0.019 13 0 "[ . 1 . 2]" 1
332 1 48 ILE H 1 48 ILE MG 2.500 . 6.000 3.772 3.761 3.780 . 0 0 "[ . 1 . 2]" 1
333 1 48 ILE H 1 60 THR MG 3.900 . 5.800 5.459 5.300 5.613 . 0 0 "[ . 1 . 2]" 1
334 1 49 CYS H 1 49 CYS HA 2.900 . 3.900 2.926 2.921 2.932 . 0 0 "[ . 1 . 2]" 1
335 1 49 CYS H 1 49 CYS HB3 2.500 . 3.300 3.631 3.618 3.651 0.351 10 0 "[ . 1 . 2]" 1
336 1 48 ILE HB 1 49 CYS H 2.700 . 3.600 2.824 2.716 2.928 . 0 0 "[ . 1 . 2]" 1
337 1 49 CYS H 1 96 PRO HG3 3.900 . 5.800 3.740 3.556 4.000 . 0 0 "[ . 1 . 2]" 1
338 1 47 ALA MB 1 49 CYS H 3.900 . 5.800 4.476 4.400 4.568 . 0 0 "[ . 1 . 2]" 1
339 1 48 ILE HG12 1 49 CYS H 3.600 . 5.200 4.988 4.951 5.032 . 0 0 "[ . 1 . 2]" 1
340 1 48 ILE MG 1 49 CYS H 3.200 . 4.400 3.724 3.656 3.826 . 0 0 "[ . 1 . 2]" 1
341 1 50 LYS H 1 51 GLY H 3.300 . 4.600 4.425 4.340 4.501 . 0 0 "[ . 1 . 2]" 1
342 1 50 LYS H 1 52 ILE H 3.600 . 6.000 4.594 4.476 4.780 . 0 0 "[ . 1 . 2]" 1
343 1 49 CYS H 1 50 LYS H 2.300 . 3.000 2.444 2.292 2.593 . 0 0 "[ . 1 . 2]" 1
344 1 49 CYS HA 1 50 LYS H 2.800 . 3.800 3.143 3.033 3.258 . 0 0 "[ . 1 . 2]" 1
345 1 50 LYS H 1 94 GLN HA 4.100 . 6.000 4.856 4.561 5.129 . 0 0 "[ . 1 . 2]" 1
346 1 48 ILE HA 1 50 LYS H 3.500 . 5.000 3.818 3.677 3.994 . 0 0 "[ . 1 . 2]" 1
347 1 50 LYS H 1 50 LYS QE 3.500 . 5.000 4.207 4.035 4.474 . 0 0 "[ . 1 . 2]" 1
348 1 50 LYS H 1 50 LYS QB 2.000 . 2.500 2.247 2.209 2.276 . 0 0 "[ . 1 . 2]" 1
349 1 50 LYS H 1 50 LYS QD 3.600 . 5.200 4.666 4.491 4.735 . 0 0 "[ . 1 . 2]" 1
350 1 50 LYS H 1 52 ILE MD 3.600 . 5.200 5.212 4.968 5.296 0.096 3 0 "[ . 1 . 2]" 1
351 1 51 GLY H 1 52 ILE H 2.800 . 3.800 2.388 2.238 2.482 . 0 0 "[ . 1 . 2]" 1
352 1 51 GLY H 1 52 ILE HA 3.700 . 5.400 5.002 4.827 5.134 . 0 0 "[ . 1 . 2]" 1
353 1 51 GLY H 1 51 GLY HA3 2.400 . 3.100 2.920 2.872 2.947 . 0 0 "[ . 1 . 2]" 1
354 1 51 GLY H 1 94 GLN HB3 3.000 . 4.100 2.782 2.198 3.343 . 0 0 "[ . 1 . 2]" 1
355 1 50 LYS QB 1 51 GLY H 3.100 . 4.300 3.858 3.784 3.931 . 0 0 "[ . 1 . 2]" 1
356 1 51 GLY H 1 94 GLN HG2 2.900 . 3.900 1.943 1.845 2.338 0.055 8 0 "[ . 1 . 2]" 1
357 1 52 ILE H 1 53 ILE H 3.500 . 6.000 4.021 3.970 4.060 . 0 0 "[ . 1 . 2]" 1
358 1 52 ILE H 1 94 GLN HE21 3.500 . 5.000 4.865 4.549 5.137 0.137 5 0 "[ . 1 . 2]" 1
359 1 52 ILE H 1 94 GLN HA 2.700 . 3.600 2.612 2.358 2.802 . 0 0 "[ . 1 . 2]" 1
360 1 52 ILE H 1 94 GLN HB3 3.200 . 4.500 3.913 3.349 4.215 . 0 0 "[ . 1 . 2]" 1
361 1 52 ILE H 1 52 ILE HB 2.400 . 3.100 2.735 2.695 2.763 . 0 0 "[ . 1 . 2]" 1
362 1 52 ILE H 1 94 GLN HG2 2.900 . 3.900 2.377 1.954 2.719 . 0 0 "[ . 1 . 2]" 1
363 1 52 ILE H 1 52 ILE HG13 2.800 . 3.800 3.839 3.802 3.903 0.103 7 0 "[ . 1 . 2]" 1
364 1 52 ILE H 1 52 ILE HG12 2.900 . 3.900 2.349 2.291 2.447 . 0 0 "[ . 1 . 2]" 1
365 1 52 ILE H 1 52 ILE MD 2.900 . 3.900 3.255 3.150 3.410 . 0 0 "[ . 1 . 2]" 1
366 1 51 GLY HA2 1 53 ILE H 3.800 . 5.600 4.860 4.726 4.993 . 0 0 "[ . 1 . 2]" 1
367 1 53 ILE H 1 53 ILE HB 2.500 . 3.300 2.361 2.299 2.529 . 0 0 "[ . 1 . 2]" 1
368 1 52 ILE HB 1 53 ILE H 4.000 . 6.000 4.360 4.333 4.375 . 0 0 "[ . 1 . 2]" 1
369 1 53 ILE H 1 53 ILE HG12 2.800 . 3.800 3.721 2.399 3.970 0.170 17 0 "[ . 1 . 2]" 1
370 1 54 ALA H 1 56 LYS H 3.600 . 6.000 5.933 5.694 6.029 0.029 5 0 "[ . 1 . 2]" 1
371 1 53 ILE H 1 54 ALA H 2.300 . 3.000 2.477 2.410 2.560 . 0 0 "[ . 1 . 2]" 1
372 1 54 ALA H 1 54 ALA HA 2.600 . 3.400 2.863 2.824 2.901 . 0 0 "[ . 1 . 2]" 1
373 1 52 ILE HA 1 54 ALA H 3.200 . 4.500 3.927 3.785 4.179 . 0 0 "[ . 1 . 2]" 1
374 1 53 ILE HB 1 54 ALA H 2.200 . 2.800 2.540 2.211 2.693 . 0 0 "[ . 1 . 2]" 1
375 1 54 ALA H 1 54 ALA MB 2.100 . 2.600 2.260 2.240 2.297 . 0 0 "[ . 1 . 2]" 1
376 1 52 ILE MG 1 54 ALA H 3.000 . 4.100 3.563 3.386 3.852 . 0 0 "[ . 1 . 2]" 1
377 1 55 SER H 1 56 LYS H 3.300 . 4.600 4.363 4.271 4.412 . 0 0 "[ . 1 . 2]" 1
378 1 55 SER H 1 55 SER HA 2.400 . 3.100 2.748 2.713 2.778 . 0 0 "[ . 1 . 2]" 1
379 1 54 ALA HA 1 55 SER H 1.900 . 2.400 2.180 2.134 2.231 . 0 0 "[ . 1 . 2]" 1
380 1 55 SER H 1 92 GLU HA 3.500 . 5.000 4.009 3.928 4.164 . 0 0 "[ . 1 . 2]" 1
381 1 55 SER H 1 55 SER QB 2.100 . 2.600 2.439 2.044 2.815 0.215 5 0 "[ . 1 . 2]" 1
382 1 55 SER H 1 92 GLU HB3 3.700 . 5.400 5.543 5.103 5.951 0.551 18 1 "[ . 1 . + 2]" 1
383 1 54 ALA MB 1 55 SER H 2.300 . 2.900 2.901 2.787 2.962 0.062 3 0 "[ . 1 . 2]" 1
384 1 55 SER HA 1 56 LYS H 2.100 . 2.600 2.153 2.090 2.196 . 0 0 "[ . 1 . 2]" 1
385 1 56 LYS H 1 56 LYS HA 2.800 . 3.800 2.935 2.921 2.944 . 0 0 "[ . 1 . 2]" 1
386 1 56 LYS H 1 92 GLU HA 3.800 . 5.600 3.909 3.761 4.134 . 0 0 "[ . 1 . 2]" 1
387 1 55 SER QB 1 56 LYS H 3.000 . 4.200 3.686 3.437 3.958 . 0 0 "[ . 1 . 2]" 1
388 1 56 LYS H 1 91 CYS HB2 3.400 . 4.900 3.347 3.251 3.493 . 0 0 "[ . 1 . 2]" 1
389 1 56 LYS H 1 91 CYS HB3 4.000 . 6.000 4.577 4.413 4.693 . 0 0 "[ . 1 . 2]" 1
390 1 56 LYS H 1 56 LYS HB2 3.000 . 4.200 3.218 2.981 3.385 . 0 0 "[ . 1 . 2]" 1
391 1 56 LYS H 1 56 LYS HB3 2.900 . 4.000 2.755 2.675 2.894 . 0 0 "[ . 1 . 2]" 1
392 1 52 ILE MG 1 56 LYS H 3.000 . 4.100 3.122 2.924 3.299 . 0 0 "[ . 1 . 2]" 1
393 1 57 ASN QB 1 57 ASN QD 2.800 . 3.700 2.129 2.084 2.184 . 0 0 "[ . 1 . 2]" 1
394 1 57 ASN QD 1 100 VAL MG1 3.200 . 4.100 3.292 2.512 3.743 . 0 0 "[ . 1 . 2]" 1
395 1 57 ASN QD 1 100 VAL MG2 3.300 . 4.600 2.881 1.918 3.220 0.082 14 0 "[ . 1 . 2]" 1
396 1 56 LYS H 1 57 ASN H 3.500 . 5.000 4.231 4.112 4.312 . 0 0 "[ . 1 . 2]" 1
397 1 57 ASN H 1 57 ASN QD 4.000 . 6.000 3.806 3.538 4.377 . 0 0 "[ . 1 . 2]" 1
398 1 57 ASN H 1 90 THR HA 3.900 . 5.800 4.211 3.812 4.692 . 0 0 "[ . 1 . 2]" 1
399 1 56 LYS HA 1 57 ASN H 2.100 . 2.700 2.166 2.142 2.191 . 0 0 "[ . 1 . 2]" 1
400 1 57 ASN H 1 57 ASN QB 2.500 . 3.300 2.471 2.270 2.790 . 0 0 "[ . 1 . 2]" 1
401 1 56 LYS HB2 1 57 ASN H 3.300 . 4.600 4.242 4.045 4.352 . 0 0 "[ . 1 . 2]" 1
402 1 56 LYS HB3 1 57 ASN H 3.400 . 4.800 4.191 3.986 4.327 . 0 0 "[ . 1 . 2]" 1
403 1 56 LYS QG 1 57 ASN H 2.600 . 3.400 2.804 2.563 3.034 . 0 0 "[ . 1 . 2]" 1
404 1 57 ASN H 1 90 THR MG 4.100 . 6.000 3.892 3.229 4.383 . 0 0 "[ . 1 . 2]" 1
405 1 52 ILE MG 1 57 ASN H 3.800 . 5.600 5.364 5.179 5.605 0.005 5 0 "[ . 1 . 2]" 1
406 1 58 VAL H 1 89 VAL H 2.800 . 3.800 3.196 3.026 3.419 . 0 0 "[ . 1 . 2]" 1
407 1 57 ASN H 1 58 VAL H 3.900 . 5.800 4.435 4.365 4.529 . 0 0 "[ . 1 . 2]" 1
408 1 58 VAL H 1 90 THR HA 3.200 . 4.500 3.377 3.217 3.476 . 0 0 "[ . 1 . 2]" 1
409 1 57 ASN QB 1 58 VAL H 3.300 . 4.600 3.380 3.123 3.540 . 0 0 "[ . 1 . 2]" 1
410 1 58 VAL H 1 58 VAL HB 2.600 . 6.000 3.765 2.682 3.847 . 0 0 "[ . 1 . 2]" 1
411 1 58 VAL H 1 90 THR MG 4.000 . 6.000 5.034 4.874 5.154 . 0 0 "[ . 1 . 2]" 1
412 1 58 VAL H 1 59 LEU H 3.900 . 5.800 4.390 4.155 4.450 . 0 0 "[ . 1 . 2]" 1
413 1 59 LEU H 1 60 THR H 4.000 . 6.000 4.514 4.477 4.565 . 0 0 "[ . 1 . 2]" 1
414 1 59 LEU H 1 104 SER HA 4.100 . 6.000 6.101 6.053 6.160 0.160 12 0 "[ . 1 . 2]" 1
415 1 59 LEU H 1 59 LEU HB3 2.500 . 3.300 2.520 2.445 2.575 . 0 0 "[ . 1 . 2]" 1
416 1 59 LEU H 1 59 LEU HB2 2.600 . 3.400 2.629 2.455 2.818 . 0 0 "[ . 1 . 2]" 1
417 1 58 VAL QG 1 59 LEU H 2.700 . 3.600 3.368 2.904 3.433 . 0 0 "[ . 1 . 2]" 1
418 1 59 LEU H 1 59 LEU QD 3.600 . 4.500 3.670 3.648 3.802 . 0 0 "[ . 1 . 2]" 1
419 1 60 THR H 1 87 PHE H 2.800 . 3.800 2.837 2.655 3.109 . 0 0 "[ . 1 . 2]" 1
420 1 60 THR H 1 60 THR HA 2.800 . 3.800 2.853 2.835 2.881 . 0 0 "[ . 1 . 2]" 1
421 1 59 LEU HB2 1 60 THR H 3.400 . 4.800 4.228 4.083 4.272 . 0 0 "[ . 1 . 2]" 1
422 1 60 THR H 1 60 THR MG 2.200 . 2.800 2.374 2.228 2.817 0.017 5 0 "[ . 1 . 2]" 1
423 1 60 THR H 1 61 THR H 3.500 . 5.000 4.591 4.558 4.612 . 0 0 "[ . 1 . 2]" 1
424 1 61 THR H 1 62 SER H 2.500 . 3.300 2.457 2.202 2.623 . 0 0 "[ . 1 . 2]" 1
425 1 61 THR H 1 64 PHE QE 4.100 . 6.000 4.277 3.847 4.517 . 0 0 "[ . 1 . 2]" 1
426 1 60 THR HB 1 61 THR H 2.600 . 3.400 2.756 2.497 3.074 . 0 0 "[ . 1 . 2]" 1
427 1 61 THR H 1 61 THR HB 3.000 . 4.100 3.533 3.498 3.563 . 0 0 "[ . 1 . 2]" 1
428 1 60 THR HA 1 61 THR H 2.200 . 2.800 2.220 2.149 2.297 . 0 0 "[ . 1 . 2]" 1
429 1 61 THR H 1 62 SER QB 3.900 . 5.800 4.672 4.426 4.927 . 0 0 "[ . 1 . 2]" 1
430 1 59 LEU QD 1 61 THR H 3.700 . 5.400 4.359 3.948 5.026 . 0 0 "[ . 1 . 2]" 1
431 1 48 ILE MG 1 61 THR H 3.600 . 5.200 4.256 3.823 4.783 . 0 0 "[ . 1 . 2]" 1
432 1 62 SER H 1 63 GLU H 3.900 . 5.800 4.435 4.358 4.503 . 0 0 "[ . 1 . 2]" 1
433 1 62 SER H 1 64 PHE QE 3.400 . 4.800 3.387 3.048 3.595 . 0 0 "[ . 1 . 2]" 1
434 1 62 SER H 1 62 SER HA 2.300 . 3.000 2.930 2.912 2.946 . 0 0 "[ . 1 . 2]" 1
435 1 61 THR MG 1 62 SER H 3.500 . 5.100 4.140 4.039 4.211 . 0 0 "[ . 1 . 2]" 1
436 1 60 THR MG 1 62 SER H 3.600 . 5.200 4.151 3.743 4.398 . 0 0 "[ . 1 . 2]" 1
437 1 62 SER HA 1 63 GLU H 2.200 . 2.800 2.387 2.319 2.560 . 0 0 "[ . 1 . 2]" 1
438 1 63 GLU H 1 63 GLU HG2 2.800 . 3.800 3.719 3.298 3.903 0.103 12 0 "[ . 1 . 2]" 1
439 1 63 GLU H 1 63 GLU HB3 2.500 . 6.000 3.657 3.611 3.704 . 0 0 "[ . 1 . 2]" 1
440 1 64 PHE H 1 65 TYR H 3.900 . 5.800 4.483 4.446 4.505 . 0 0 "[ . 1 . 2]" 1
441 1 64 PHE H 1 85 ASN H 2.700 . 3.600 2.964 2.773 3.134 . 0 0 "[ . 1 . 2]" 1
442 1 64 PHE H 1 64 PHE QD 2.900 . 3.900 2.635 2.477 2.877 . 0 0 "[ . 1 . 2]" 1
443 1 64 PHE H 1 87 PHE QE 4.000 . 6.000 3.958 3.421 4.117 . 0 0 "[ . 1 . 2]" 1
444 1 64 PHE H 1 84 THR HA 3.800 . 5.600 4.426 4.226 4.554 . 0 0 "[ . 1 . 2]" 1
445 1 64 PHE H 1 85 ASN HA 3.900 . 5.800 4.207 4.050 4.451 . 0 0 "[ . 1 . 2]" 1
446 1 64 PHE H 1 64 PHE HB3 2.800 . 3.800 3.661 3.634 3.707 . 0 0 "[ . 1 . 2]" 1
447 1 63 GLU HB2 1 64 PHE H 2.900 . 4.000 3.902 3.677 4.040 0.040 20 0 "[ . 1 . 2]" 1
448 1 64 PHE H 1 84 THR MG 3.400 . 4.900 3.648 3.454 3.825 . 0 0 "[ . 1 . 2]" 1
449 1 65 TYR H 1 66 LEU H 3.800 . 5.600 4.249 4.219 4.326 . 0 0 "[ . 1 . 2]" 1
450 1 39 TYR QD 1 65 TYR H 3.900 . 5.800 4.114 3.779 4.390 . 0 0 "[ . 1 . 2]" 1
451 1 65 TYR H 1 65 TYR HB2 2.700 . 3.600 2.536 2.460 2.641 . 0 0 "[ . 1 . 2]" 1
452 1 64 PHE HB2 1 65 TYR H 2.700 . 3.600 3.647 3.629 3.672 0.072 11 0 "[ . 1 . 2]" 1
453 1 40 SER HB3 1 65 TYR H 3.800 . 5.600 5.719 5.604 6.054 0.454 15 0 "[ . 1 . 2]" 1
454 1 65 TYR H 1 65 TYR HB3 2.800 . 3.800 3.630 3.609 3.646 . 0 0 "[ . 1 . 2]" 1
455 1 38 ILE MG 1 65 TYR H 3.600 . 5.200 3.930 3.719 4.083 . 0 0 "[ . 1 . 2]" 1
456 1 65 TYR H 1 66 LEU MD2 4.000 . 6.000 4.051 3.998 4.120 . 0 0 "[ . 1 . 2]" 1
457 1 16 ARG QH1 1 66 LEU H 3.300 . 4.700 3.166 2.808 3.689 . 0 0 "[ . 1 . 2]" 1
458 1 66 LEU H 1 67 SER HA 3.900 . 5.800 5.126 5.084 5.149 . 0 0 "[ . 1 . 2]" 1
459 1 66 LEU H 1 66 LEU HG 2.500 . 3.300 2.537 2.455 2.691 . 0 0 "[ . 1 . 2]" 1
460 1 66 LEU H 1 66 LEU HB3 3.400 . 4.900 3.674 3.662 3.693 . 0 0 "[ . 1 . 2]" 1
461 1 66 LEU H 1 84 THR MG 3.300 . 4.700 3.940 3.724 4.190 . 0 0 "[ . 1 . 2]" 1
462 1 66 LEU H 1 66 LEU MD2 3.700 . 5.400 3.425 3.308 3.515 . 0 0 "[ . 1 . 2]" 1
463 1 67 SER H 1 82 LYS HA 3.900 . 5.800 5.152 4.907 5.375 . 0 0 "[ . 1 . 2]" 1
464 1 38 ILE HA 1 67 SER H 3.800 . 5.600 3.573 3.347 3.798 . 0 0 "[ . 1 . 2]" 1
465 1 37 PHE HB2 1 67 SER H 3.800 . 5.600 3.355 3.166 3.489 . 0 0 "[ . 1 . 2]" 1
466 1 66 LEU HG 1 67 SER H 3.500 . 5.000 5.052 5.014 5.084 0.084 4 0 "[ . 1 . 2]" 1
467 1 66 LEU MD1 1 67 SER H 3.900 . 5.800 4.734 4.603 4.857 . 0 0 "[ . 1 . 2]" 1
468 1 36 THR MG 1 67 SER H 3.500 . 5.000 3.281 2.959 3.637 . 0 0 "[ . 1 . 2]" 1
469 1 66 LEU MD2 1 67 SER H 3.300 . 4.700 3.595 3.501 3.656 . 0 0 "[ . 1 . 2]" 1
470 1 37 PHE H 1 68 ASP H 3.700 . 5.400 4.687 4.565 4.864 . 0 0 "[ . 1 . 2]" 1
471 1 68 ASP H 1 82 LYS H 3.900 . 5.800 4.829 4.704 4.948 . 0 0 "[ . 1 . 2]" 1
472 1 67 SER HB3 1 68 ASP H 3.500 . 5.000 3.663 3.582 3.719 . 0 0 "[ . 1 . 2]" 1
473 1 67 SER HB2 1 68 ASP H 3.900 . 5.800 4.320 4.274 4.369 . 0 0 "[ . 1 . 2]" 1
474 1 68 ASP H 1 81 LYS HB2 4.000 . 6.000 4.329 4.042 4.577 . 0 0 "[ . 1 . 2]" 1
475 1 68 ASP H 1 80 LEU QD 3.200 . 4.500 3.310 2.911 3.778 . 0 0 "[ . 1 . 2]" 1
476 1 68 ASP H 1 69 CYS H 3.900 . 5.800 4.336 4.251 4.441 . 0 0 "[ . 1 . 2]" 1
477 1 69 CYS H 1 70 ASN H 4.000 . 6.000 4.371 4.289 4.440 . 0 0 "[ . 1 . 2]" 1
478 1 37 PHE QD 1 69 CYS H 3.900 . 5.800 3.335 3.055 3.810 . 0 0 "[ . 1 . 2]" 1
479 1 36 THR HA 1 69 CYS H 3.400 . 4.800 3.087 2.787 3.414 . 0 0 "[ . 1 . 2]" 1
480 1 36 THR MG 1 69 CYS H 4.000 . 6.000 4.638 4.402 4.977 . 0 0 "[ . 1 . 2]" 1
481 1 70 ASN HB2 1 70 ASN HD21 3.600 . 5.200 3.076 2.204 3.507 . 0 0 "[ . 1 . 2]" 1
482 1 68 ASP QB 1 70 ASN HD21 3.500 . 5.000 3.382 2.823 4.105 . 0 0 "[ . 1 . 2]" 1
483 1 70 ASN HB3 1 70 ASN HD22 3.500 . 5.100 3.657 3.464 4.067 . 0 0 "[ . 1 . 2]" 1
484 1 70 ASN HD22 1 81 LYS HB3 3.700 . 5.500 3.751 3.140 5.031 . 0 0 "[ . 1 . 2]" 1
485 1 70 ASN HD22 1 81 LYS HB2 4.000 . 6.000 3.375 2.230 5.885 . 0 0 "[ . 1 . 2]" 1
486 1 70 ASN H 1 79 LYS H 2.900 . 4.000 2.855 2.607 3.105 . 0 0 "[ . 1 . 2]" 1
487 1 70 ASN H 1 80 LEU HA 3.500 . 5.000 4.079 3.614 4.515 . 0 0 "[ . 1 . 2]" 1
488 1 70 ASN H 1 78 TYR HA 4.100 . 6.000 4.246 3.957 4.632 . 0 0 "[ . 1 . 2]" 1
489 1 70 ASN H 1 70 ASN HB2 3.200 . 4.500 3.340 2.538 3.843 . 0 0 "[ . 1 . 2]" 1
490 1 70 ASN H 1 70 ASN HB3 2.700 . 3.600 3.500 3.244 3.835 0.235 6 0 "[ . 1 . 2]" 1
491 1 69 CYS HB3 1 70 ASN H 3.500 . 5.000 3.533 3.437 4.170 . 0 0 "[ . 1 . 2]" 1
492 1 34 LYS QB 1 70 ASN H 4.000 . 6.000 4.606 4.111 5.335 . 0 0 "[ . 1 . 2]" 1
493 1 70 ASN H 1 71 VAL H 3.700 . 5.400 4.396 4.326 4.465 . 0 0 "[ . 1 . 2]" 1
494 1 71 VAL H 1 72 THR H 3.800 . 5.600 4.577 4.515 4.636 . 0 0 "[ . 1 . 2]" 1
495 1 70 ASN HA 1 71 VAL H 2.200 . 2.800 2.199 2.090 2.317 . 0 0 "[ . 1 . 2]" 1
496 1 33 ASP HA 1 71 VAL H 3.300 . 4.600 3.911 3.463 4.146 . 0 0 "[ . 1 . 2]" 1
497 1 70 ASN HB2 1 71 VAL H 3.100 . 4.300 3.299 2.646 4.061 . 0 0 "[ . 1 . 2]" 1
498 1 71 VAL H 1 71 VAL HB 2.300 . 3.000 2.476 2.327 2.610 . 0 0 "[ . 1 . 2]" 1
499 1 34 LYS QG 1 71 VAL H 4.000 . 6.000 4.755 2.779 5.498 . 0 0 "[ . 1 . 2]" 1
500 1 71 VAL H 1 71 VAL QG 2.400 . 3.100 2.139 2.026 2.291 . 0 0 "[ . 1 . 2]" 1
501 1 72 THR H 1 74 ARG H 4.000 . 6.000 3.797 3.213 4.598 . 0 0 "[ . 1 . 2]" 1
502 1 72 THR H 1 77 LYS H 3.900 . 5.800 3.953 3.691 4.240 . 0 0 "[ . 1 . 2]" 1
503 1 72 THR H 1 72 THR HA 2.400 . 3.100 2.919 2.896 2.946 . 0 0 "[ . 1 . 2]" 1
504 1 71 VAL HA 1 72 THR H 2.200 . 2.800 2.183 2.090 2.308 . 0 0 "[ . 1 . 2]" 1
505 1 71 VAL HB 1 72 THR H 3.400 . 4.800 4.128 3.998 4.244 . 0 0 "[ . 1 . 2]" 1
506 1 72 THR H 1 72 THR MG 2.700 . 3.600 2.680 2.448 2.985 . 0 0 "[ . 1 . 2]" 1
507 1 73 SER H 1 74 ARG H 2.700 . 3.600 2.275 2.048 2.524 . 0 0 "[ . 1 . 2]" 1
508 1 72 THR HB 1 73 SER H 2.100 . 2.700 1.818 1.530 2.629 . 0 0 "[ . 1 . 2]" 1
509 1 71 VAL HA 1 73 SER H 4.000 . 6.000 5.865 4.953 6.192 0.192 9 0 "[ . 1 . 2]" 1
510 1 72 THR MG 1 73 SER H 2.700 . 3.600 3.438 3.332 3.671 0.071 3 0 "[ . 1 . 2]" 1
511 1 74 ARG HB2 1 74 ARG HE 3.700 . 5.400 4.005 2.002 4.597 . 0 0 "[ . 1 . 2]" 1
512 1 74 ARG H 1 74 ARG HA 2.600 . 3.400 2.921 2.835 2.939 . 0 0 "[ . 1 . 2]" 1
513 1 73 SER HB2 1 74 ARG H 3.700 . 5.400 3.625 2.997 4.259 . 0 0 "[ . 1 . 2]" 1
514 1 73 SER HB3 1 74 ARG H 3.800 . 5.600 4.130 3.380 4.413 . 0 0 "[ . 1 . 2]" 1
515 1 74 ARG H 1 74 ARG QD 4.000 . 6.000 4.277 3.926 4.726 . 0 0 "[ . 1 . 2]" 1
516 1 74 ARG H 1 74 ARG HB2 2.500 . 3.300 2.648 2.248 3.251 . 0 0 "[ . 1 . 2]" 1
517 1 76 CYS H 1 77 LYS H 3.000 . 4.100 2.665 2.583 2.788 . 0 0 "[ . 1 . 2]" 1
518 1 76 CYS H 1 76 CYS HB2 3.400 . 4.800 3.253 3.000 3.628 . 0 0 "[ . 1 . 2]" 1
519 1 77 LYS H 1 77 LYS HA 2.800 . 3.800 2.944 2.938 2.950 . 0 0 "[ . 1 . 2]" 1
520 1 77 LYS H 1 77 LYS HB3 2.700 . 3.600 3.155 2.466 3.743 0.143 5 0 "[ . 1 . 2]" 1
521 1 77 LYS HA 1 78 TYR H 2.400 . 3.100 2.194 2.142 2.233 . 0 0 "[ . 1 . 2]" 1
522 1 21 ASP HA 1 78 TYR H 4.100 . 6.000 3.653 3.071 4.247 . 0 0 "[ . 1 . 2]" 1
523 1 78 TYR H 1 79 LYS H 4.000 . 6.000 4.470 4.428 4.502 . 0 0 "[ . 1 . 2]" 1
524 1 79 LYS H 1 80 LEU H 3.900 . 5.800 4.399 4.297 4.484 . 0 0 "[ . 1 . 2]" 1
525 1 72 THR H 1 79 LYS H 4.100 . 6.000 4.493 4.177 5.129 . 0 0 "[ . 1 . 2]" 1
526 1 79 LYS H 1 79 LYS HA 2.800 . 3.800 2.941 2.926 2.951 . 0 0 "[ . 1 . 2]" 1
527 1 71 VAL HA 1 79 LYS H 3.500 . 5.000 3.964 3.601 4.422 . 0 0 "[ . 1 . 2]" 1
528 1 78 TYR QB 1 79 LYS H 2.700 . 3.600 2.544 2.143 2.952 . 0 0 "[ . 1 . 2]" 1
529 1 80 LEU H 1 81 LYS H 3.700 . 5.400 4.542 4.439 4.595 . 0 0 "[ . 1 . 2]" 1
530 1 80 LEU H 1 80 LEU HA 2.900 . 3.900 2.901 2.872 2.934 . 0 0 "[ . 1 . 2]" 1
531 1 79 LYS HA 1 80 LEU H 2.100 . 2.700 2.260 2.167 2.465 . 0 0 "[ . 1 . 2]" 1
532 1 80 LEU H 1 80 LEU HB2 2.300 . 3.000 2.438 2.128 2.661 . 0 0 "[ . 1 . 2]" 1
533 1 79 LYS QD 1 80 LEU H 3.000 . 6.000 3.788 1.681 4.830 . 0 0 "[ . 1 . 2]" 1
534 1 80 LEU H 1 80 LEU HB3 2.600 . 3.400 2.815 2.463 3.462 0.062 4 0 "[ . 1 . 2]" 1
535 1 79 LYS QG 1 80 LEU H 3.200 . 4.400 3.014 2.136 4.349 . 0 0 "[ . 1 . 2]" 1
536 1 80 LEU H 1 80 LEU QD 3.500 . 5.000 3.670 3.278 3.759 . 0 0 "[ . 1 . 2]" 1
537 1 81 LYS H 1 82 LYS H 3.700 . 5.400 4.014 3.926 4.217 . 0 0 "[ . 1 . 2]" 1
538 1 68 ASP QB 1 81 LYS H 3.300 . 6.000 3.776 3.440 4.116 . 0 0 "[ . 1 . 2]" 1
539 1 81 LYS H 1 81 LYS HB3 3.000 . 4.100 2.685 2.566 2.807 . 0 0 "[ . 1 . 2]" 1
540 1 81 LYS H 1 81 LYS HB2 2.900 . 4.000 3.197 3.026 3.403 . 0 0 "[ . 1 . 2]" 1
541 1 82 LYS H 1 82 LYS HA 3.000 . 4.200 2.908 2.886 2.940 . 0 0 "[ . 1 . 2]" 1
542 1 81 LYS HA 1 82 LYS H 2.100 . 2.700 2.160 2.132 2.183 . 0 0 "[ . 1 . 2]" 1
543 1 82 LYS H 1 82 LYS HB2 2.500 . 3.300 2.503 2.353 2.631 . 0 0 "[ . 1 . 2]" 1
544 1 82 LYS H 1 82 LYS HD3 3.300 . 4.700 4.784 4.683 4.853 0.153 11 0 "[ . 1 . 2]" 1
545 1 82 LYS H 1 82 LYS HD2 3.200 . 4.500 3.945 3.521 4.335 . 0 0 "[ . 1 . 2]" 1
546 1 81 LYS HG3 1 82 LYS H 2.900 . 3.900 3.755 3.370 3.937 0.037 4 0 "[ . 1 . 2]" 1
547 1 66 LEU H 1 83 SER H 3.300 . 4.600 3.500 3.372 3.670 . 0 0 "[ . 1 . 2]" 1
548 1 82 LYS H 1 83 SER H 3.900 . 5.800 4.412 4.341 4.472 . 0 0 "[ . 1 . 2]" 1
549 1 83 SER H 1 84 THR H 4.000 . 6.000 4.372 4.194 4.427 . 0 0 "[ . 1 . 2]" 1
550 1 16 ARG HH12 1 83 SER H 3.100 . 4.300 2.978 2.557 3.558 . 0 0 "[ . 1 . 2]" 1
551 1 82 LYS HA 1 83 SER H 2.300 . 6.000 2.142 2.113 2.160 . 0 0 "[ . 1 . 2]" 1
552 1 83 SER H 1 83 SER QB 3.400 . 4.800 2.876 2.688 3.246 . 0 0 "[ . 1 . 2]" 1
553 1 66 LEU HG 1 83 SER H 3.300 . 6.000 5.418 5.162 5.563 . 0 0 "[ . 1 . 2]" 1
554 1 82 LYS QB 1 83 SER H 3.100 . 4.300 3.343 3.235 3.407 . 0 0 "[ . 1 . 2]" 1
555 1 82 LYS HG2 1 83 SER H 3.700 . 5.400 4.597 4.385 4.777 . 0 0 "[ . 1 . 2]" 1
556 1 82 LYS HG3 1 83 SER H 3.800 . 5.600 5.109 4.771 5.387 . 0 0 "[ . 1 . 2]" 1
557 1 83 SER H 1 84 THR MG 4.000 . 6.000 5.920 5.762 6.021 0.021 4 0 "[ . 1 . 2]" 1
558 1 84 THR H 1 84 THR HA 3.000 . 4.100 2.942 2.929 2.951 . 0 0 "[ . 1 . 2]" 1
559 1 83 SER QB 1 84 THR H 2.400 . 3.100 2.590 2.286 3.142 0.042 12 0 "[ . 1 . 2]" 1
560 1 84 THR H 1 84 THR MG 3.300 . 4.600 3.920 3.825 3.987 . 0 0 "[ . 1 . 2]" 1
561 1 85 ASN HD21 1 86 LYS H 3.900 . 6.000 4.719 4.229 4.919 . 0 0 "[ . 1 . 2]" 1
562 1 85 ASN HD21 1 103 GLY H 4.100 . 6.000 4.521 3.300 5.101 . 0 0 "[ . 1 . 2]" 1
563 1 85 ASN HB3 1 85 ASN HD21 2.900 . 3.900 2.791 2.239 2.959 . 0 0 "[ . 1 . 2]" 1
564 1 85 ASN HB2 1 85 ASN HD21 2.600 . 3.400 2.336 2.198 2.854 . 0 0 "[ . 1 . 2]" 1
565 1 83 SER QB 1 85 ASN HD21 4.100 . 6.000 4.651 3.907 5.772 . 0 0 "[ . 1 . 2]" 1
566 1 85 ASN HD21 1 102 VAL MG1 3.900 . 5.800 4.827 3.901 5.155 . 0 0 "[ . 1 . 2]" 1
567 1 66 LEU MD1 1 85 ASN HD21 3.600 . 6.000 4.244 3.714 4.503 . 0 0 "[ . 1 . 2]" 1
568 1 85 ASN HD22 1 103 GLY HA3 3.600 . 5.300 3.384 2.688 3.813 . 0 0 "[ . 1 . 2]" 1
569 1 85 ASN HD22 1 103 GLY HA2 3.900 . 5.800 3.133 2.438 3.530 . 0 0 "[ . 1 . 2]" 1
570 1 85 ASN HB3 1 85 ASN HD22 3.100 . 4.300 3.719 3.479 3.795 . 0 0 "[ . 1 . 2]" 1
571 1 85 ASN HB2 1 85 ASN HD22 2.800 . 3.800 3.529 3.470 3.751 . 0 0 "[ . 1 . 2]" 1
572 1 85 ASN HD22 1 102 VAL MG1 4.100 . 6.000 5.697 5.126 5.974 . 0 0 "[ . 1 . 2]" 1
573 1 85 ASN HD22 1 102 VAL MG2 3.000 . 4.100 3.112 2.644 3.385 . 0 0 "[ . 1 . 2]" 1
574 1 66 LEU H 1 85 ASN H 3.500 . 5.100 3.649 3.504 3.904 . 0 0 "[ . 1 . 2]" 1
575 1 84 THR HA 1 85 ASN H 2.200 . 2.800 2.157 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
576 1 85 ASN H 1 85 ASN HA 2.700 . 3.600 2.886 2.860 2.901 . 0 0 "[ . 1 . 2]" 1
577 1 63 GLU HA 1 85 ASN H 3.500 . 5.000 3.998 3.836 4.282 . 0 0 "[ . 1 . 2]" 1
578 1 85 ASN H 1 85 ASN HB3 3.200 . 4.500 3.219 3.144 3.551 . 0 0 "[ . 1 . 2]" 1
579 1 85 ASN H 1 85 ASN HB2 3.100 . 4.300 3.122 2.905 3.213 . 0 0 "[ . 1 . 2]" 1
580 1 66 LEU HG 1 85 ASN H 2.900 . 4.000 2.697 2.490 2.833 . 0 0 "[ . 1 . 2]" 1
581 1 63 GLU HB2 1 85 ASN H 3.100 . 4.300 4.328 4.302 4.361 0.061 6 0 "[ . 1 . 2]" 1
582 1 86 LYS H 1 103 GLY H 3.900 . 5.800 3.572 3.125 3.815 . 0 0 "[ . 1 . 2]" 1
583 1 86 LYS H 1 86 LYS HA 3.000 . 4.200 2.860 2.843 2.879 . 0 0 "[ . 1 . 2]" 1
584 1 86 LYS H 1 103 GLY HA3 4.100 . 6.000 4.965 4.232 5.340 . 0 0 "[ . 1 . 2]" 1
585 1 85 ASN HB2 1 86 LYS H 3.300 . 4.600 4.057 3.852 4.124 . 0 0 "[ . 1 . 2]" 1
586 1 86 LYS H 1 86 LYS HD2 3.700 . 5.400 4.083 3.875 4.404 . 0 0 "[ . 1 . 2]" 1
587 1 86 LYS H 1 86 LYS HB2 2.400 . 3.100 2.673 2.503 2.849 . 0 0 "[ . 1 . 2]" 1
588 1 86 LYS H 1 86 LYS HG3 3.100 . 4.300 2.039 1.884 3.341 0.016 14 0 "[ . 1 . 2]" 1
589 1 87 PHE H 1 88 CYS H 4.000 . 6.000 4.313 4.260 4.349 . 0 0 "[ . 1 . 2]" 1
590 1 87 PHE H 1 87 PHE QD 3.100 . 4.300 3.357 2.959 3.501 . 0 0 "[ . 1 . 2]" 1
591 1 87 PHE H 1 102 VAL HA 4.000 . 6.000 4.459 4.355 4.530 . 0 0 "[ . 1 . 2]" 1
592 1 87 PHE H 1 87 PHE HB3 3.600 . 5.200 3.527 3.480 3.604 . 0 0 "[ . 1 . 2]" 1
593 1 86 LYS HB3 1 87 PHE H 2.700 . 3.600 2.445 2.266 2.585 . 0 0 "[ . 1 . 2]" 1
594 1 86 LYS HB2 1 87 PHE H 2.500 . 3.300 3.225 3.023 3.354 0.054 18 0 "[ . 1 . 2]" 1
595 1 88 CYS H 1 103 GLY H 3.600 . 5.300 4.522 4.303 4.704 . 0 0 "[ . 1 . 2]" 1
596 1 87 PHE QD 1 88 CYS H 3.200 . 4.500 3.800 3.617 3.944 . 0 0 "[ . 1 . 2]" 1
597 1 88 CYS H 1 104 SER HA 4.100 . 6.000 4.862 4.435 5.367 . 0 0 "[ . 1 . 2]" 1
598 1 87 PHE HB2 1 88 CYS H 2.500 . 3.300 2.731 2.578 2.901 . 0 0 "[ . 1 . 2]" 1
599 1 87 PHE HB3 1 88 CYS H 3.100 . 4.300 3.834 3.739 3.954 . 0 0 "[ . 1 . 2]" 1
600 1 88 CYS H 1 89 VAL H 3.600 . 5.200 4.385 4.324 4.447 . 0 0 "[ . 1 . 2]" 1
601 1 59 LEU H 1 89 VAL H 4.000 . 6.000 5.043 4.931 5.186 . 0 0 "[ . 1 . 2]" 1
602 1 88 CYS HA 1 89 VAL H 2.300 . 2.900 2.152 2.123 2.182 . 0 0 "[ . 1 . 2]" 1
603 1 89 VAL H 1 89 VAL HB 3.800 . 5.600 3.721 3.665 3.766 . 0 0 "[ . 1 . 2]" 1
604 1 58 VAL HB 1 89 VAL H 3.800 . 5.600 5.170 3.801 5.418 . 0 0 "[ . 1 . 2]" 1
605 1 89 VAL H 1 90 THR H 3.200 . 4.500 4.458 4.418 4.509 0.009 17 0 "[ . 1 . 2]" 1
606 1 90 THR H 1 90 THR HB 2.700 . 3.600 2.589 2.519 2.654 . 0 0 "[ . 1 . 2]" 1
607 1 90 THR H 1 98 HIS HB2 3.100 . 4.300 3.566 3.351 4.100 . 0 0 "[ . 1 . 2]" 1
608 1 89 VAL HB 1 90 THR H 2.600 . 3.400 2.959 2.811 3.054 . 0 0 "[ . 1 . 2]" 1
609 1 90 THR H 1 90 THR MG 2.800 . 3.800 3.790 3.780 3.810 0.010 14 0 "[ . 1 . 2]" 1
610 1 90 THR H 1 91 CYS H 3.600 . 5.200 4.302 4.275 4.327 . 0 0 "[ . 1 . 2]" 1
611 1 56 LYS H 1 91 CYS H 2.900 . 3.900 3.074 2.897 3.312 . 0 0 "[ . 1 . 2]" 1
612 1 90 THR HA 1 91 CYS H 2.200 . 2.800 2.170 2.145 2.184 . 0 0 "[ . 1 . 2]" 1
613 1 91 CYS H 1 91 CYS HB2 2.500 . 3.300 2.451 2.407 2.496 . 0 0 "[ . 1 . 2]" 1
614 1 58 VAL HB 1 91 CYS H 3.800 . 6.000 6.022 4.266 6.163 0.163 20 0 "[ . 1 . 2]" 1
615 1 56 LYS HB3 1 91 CYS H 4.000 . 6.000 4.124 3.922 4.348 . 0 0 "[ . 1 . 2]" 1
616 1 58 VAL QG 1 91 CYS H 2.900 . 3.900 3.131 3.067 3.353 . 0 0 "[ . 1 . 2]" 1
617 1 92 GLU H 1 93 ASN H 3.700 . 5.400 4.196 4.106 4.260 . 0 0 "[ . 1 . 2]" 1
618 1 91 CYS H 1 92 GLU H 3.800 . 5.600 4.472 4.419 4.506 . 0 0 "[ . 1 . 2]" 1
619 1 92 GLU H 1 97 VAL H 3.300 . 6.000 3.518 3.401 3.732 . 0 0 "[ . 1 . 2]" 1
620 1 92 GLU H 1 95 ALA H 2.600 . 3.400 2.832 2.690 3.022 . 0 0 "[ . 1 . 2]" 1
621 1 92 GLU H 1 92 GLU HA 2.800 . 3.800 2.917 2.901 2.931 . 0 0 "[ . 1 . 2]" 1
622 1 49 CYS HB2 1 92 GLU H 4.100 . 6.000 4.923 4.820 5.040 . 0 0 "[ . 1 . 2]" 1
623 1 91 CYS HB2 1 92 GLU H 3.500 . 5.000 4.212 4.127 4.290 . 0 0 "[ . 1 . 2]" 1
624 1 91 CYS HB3 1 92 GLU H 3.100 . 4.300 3.338 3.212 3.430 . 0 0 "[ . 1 . 2]" 1
625 1 92 GLU H 1 92 GLU HB2 2.700 . 3.600 3.101 2.886 3.258 . 0 0 "[ . 1 . 2]" 1
626 1 92 GLU H 1 95 ALA MB 3.500 . 5.100 4.007 3.860 4.144 . 0 0 "[ . 1 . 2]" 1
627 1 92 GLU H 1 97 VAL MG2 3.000 . 4.100 3.061 2.764 3.417 . 0 0 "[ . 1 . 2]" 1
628 1 92 GLU QG 1 93 ASN HD21 3.600 . 5.300 2.392 1.853 3.480 0.147 6 0 "[ . 1 . 2]" 1
629 1 93 ASN H 1 93 ASN HD22 3.700 . 5.400 4.233 3.710 4.889 . 0 0 "[ . 1 . 2]" 1
630 1 93 ASN HB3 1 93 ASN HD22 3.700 . 5.400 3.999 3.769 4.075 . 0 0 "[ . 1 . 2]" 1
631 1 94 GLN HE21 1 95 ALA H 3.400 . 6.000 6.032 5.878 6.089 0.089 1 0 "[ . 1 . 2]" 1
632 1 94 GLN HB2 1 94 GLN HE21 3.200 . 4.500 2.515 1.899 2.816 0.001 5 0 "[ . 1 . 2]" 1
633 1 94 GLN HB3 1 94 GLN HE21 2.600 . 3.500 1.811 1.662 2.280 0.038 11 0 "[ . 1 . 2]" 1
634 1 94 GLN HE21 1 94 GLN HG2 3.300 . 4.700 3.043 2.922 3.432 . 0 0 "[ . 1 . 2]" 1
635 1 53 ILE MD 1 94 GLN HE21 3.300 . 4.700 4.407 4.291 4.463 . 0 0 "[ . 1 . 2]" 1
636 1 94 GLN HB2 1 94 GLN HE22 3.700 . 5.400 3.782 3.558 3.957 . 0 0 "[ . 1 . 2]" 1
637 1 94 GLN HB3 1 94 GLN HE22 2.900 . 3.900 3.387 3.303 3.513 . 0 0 "[ . 1 . 2]" 1
638 1 93 ASN H 1 94 GLN H 2.800 . 3.800 2.651 2.583 2.695 . 0 0 "[ . 1 . 2]" 1
639 1 52 ILE H 1 94 GLN H 3.800 . 5.600 3.895 3.737 4.000 . 0 0 "[ . 1 . 2]" 1
640 1 92 GLU HA 1 94 GLN H 3.500 . 6.000 3.551 3.353 3.838 . 0 0 "[ . 1 . 2]" 1
641 1 94 GLN H 1 94 GLN HA 2.300 . 3.000 2.255 2.245 2.261 . 0 0 "[ . 1 . 2]" 1
642 1 93 ASN HB2 1 94 GLN H 4.000 . 6.000 4.164 4.056 4.279 . 0 0 "[ . 1 . 2]" 1
643 1 52 ILE HB 1 94 GLN H 4.000 . 6.000 3.644 3.491 3.818 . 0 0 "[ . 1 . 2]" 1
644 1 94 GLN H 1 94 GLN HG2 3.000 . 4.100 3.452 3.161 3.703 . 0 0 "[ . 1 . 2]" 1
645 1 94 GLN H 1 95 ALA H 2.700 . 3.600 2.594 2.556 2.641 . 0 0 "[ . 1 . 2]" 1
646 1 94 GLN HA 1 95 ALA H 2.900 . 3.900 3.017 2.903 3.115 . 0 0 "[ . 1 . 2]" 1
647 1 49 CYS HB2 1 95 ALA H 3.200 . 4.500 3.885 3.777 3.983 . 0 0 "[ . 1 . 2]" 1
648 1 91 CYS HB3 1 95 ALA H 3.900 . 5.800 4.092 3.867 4.267 . 0 0 "[ . 1 . 2]" 1
649 1 94 GLN HB2 1 95 ALA H 4.000 . 6.000 3.985 3.839 4.091 . 0 0 "[ . 1 . 2]" 1
650 1 94 GLN HB3 1 95 ALA H 3.700 . 5.400 4.418 4.357 4.483 . 0 0 "[ . 1 . 2]" 1
651 1 49 CYS HB3 1 95 ALA H 3.600 . 5.200 3.361 3.239 3.477 . 0 0 "[ . 1 . 2]" 1
652 1 95 ALA H 1 97 VAL MG1 3.500 . 5.000 3.969 3.776 4.125 . 0 0 "[ . 1 . 2]" 1
653 1 95 ALA H 1 95 ALA MB 2.400 . 3.100 2.605 2.549 2.656 . 0 0 "[ . 1 . 2]" 1
654 1 53 ILE MD 1 95 ALA H 3.900 . 5.800 5.667 5.036 5.869 0.069 2 0 "[ . 1 . 2]" 1
655 1 90 THR HB 1 97 VAL H 3.900 . 5.800 3.651 3.358 3.988 . 0 0 "[ . 1 . 2]" 1
656 1 97 VAL H 1 97 VAL HB 3.700 . 5.400 3.727 3.706 3.762 . 0 0 "[ . 1 . 2]" 1
657 1 89 VAL HB 1 97 VAL H 4.100 . 6.000 4.539 4.348 4.706 . 0 0 "[ . 1 . 2]" 1
658 1 96 PRO HB2 1 97 VAL H 3.500 . 5.000 4.115 4.025 4.171 . 0 0 "[ . 1 . 2]" 1
659 1 90 THR H 1 98 HIS H 2.800 . 3.800 3.266 3.094 3.602 . 0 0 "[ . 1 . 2]" 1
660 1 97 VAL H 1 98 HIS H 2.200 . 2.800 2.076 1.996 2.163 . 0 0 "[ . 1 . 2]" 1
661 1 98 HIS H 1 98 HIS HA 3.000 . 4.100 2.933 2.913 2.947 . 0 0 "[ . 1 . 2]" 1
662 1 89 VAL HA 1 98 HIS H 4.100 . 6.000 5.063 4.917 5.465 . 0 0 "[ . 1 . 2]" 1
663 1 98 HIS H 1 98 HIS HB2 3.000 . 4.100 2.705 2.541 2.874 . 0 0 "[ . 1 . 2]" 1
664 1 97 VAL HB 1 98 HIS H 3.700 . 5.400 3.956 3.597 4.107 . 0 0 "[ . 1 . 2]" 1
665 1 89 VAL HB 1 98 HIS H 3.400 . 4.900 4.471 4.234 4.899 . 0 0 "[ . 1 . 2]" 1
666 1 97 VAL MG2 1 98 HIS H 2.500 . 3.300 2.418 1.949 2.631 . 0 0 "[ . 1 . 2]" 1
667 1 90 THR H 1 100 VAL H 3.800 . 5.600 3.640 3.437 3.975 . 0 0 "[ . 1 . 2]" 1
668 1 100 VAL H 1 101 GLY HA2 3.700 . 6.000 4.721 4.547 4.812 . 0 0 "[ . 1 . 2]" 1
669 1 88 CYS H 1 101 GLY H 2.800 . 3.800 2.821 2.760 2.883 . 0 0 "[ . 1 . 2]" 1
670 1 100 VAL H 1 101 GLY H 2.400 . 3.100 2.716 2.575 3.005 . 0 0 "[ . 1 . 2]" 1
671 1 101 GLY H 1 101 GLY HA3 2.700 . 3.600 2.814 2.740 2.865 . 0 0 "[ . 1 . 2]" 1
672 1 101 GLY H 1 102 VAL HA 4.000 . 6.000 4.537 4.492 4.579 . 0 0 "[ . 1 . 2]" 1
673 1 100 VAL HA 1 101 GLY H 3.300 . 4.600 3.566 3.540 3.583 . 0 0 "[ . 1 . 2]" 1
674 1 88 CYS HB3 1 101 GLY H 2.600 . 3.500 2.723 2.461 3.006 . 0 0 "[ . 1 . 2]" 1
675 1 88 CYS HB2 1 101 GLY H 3.100 . 4.300 4.090 3.751 4.311 0.011 13 0 "[ . 1 . 2]" 1
676 1 100 VAL HB 1 101 GLY H 2.400 . 3.100 2.052 1.832 2.280 . 0 0 "[ . 1 . 2]" 1
677 1 100 VAL MG2 1 101 GLY H 3.100 . 4.300 3.634 3.539 3.744 . 0 0 "[ . 1 . 2]" 1
678 1 101 GLY H 1 102 VAL H 3.400 . 4.800 4.362 4.335 4.375 . 0 0 "[ . 1 . 2]" 1
679 1 102 VAL H 1 102 VAL HA 3.000 . 4.100 2.924 2.887 2.943 . 0 0 "[ . 1 . 2]" 1
680 1 102 VAL H 1 102 VAL HB 2.500 . 6.000 3.730 3.651 3.789 . 0 0 "[ . 1 . 2]" 1
681 1 103 GLY H 1 103 GLY HA3 2.700 . 3.600 2.927 2.913 2.939 . 0 0 "[ . 1 . 2]" 1
682 1 102 VAL HB 1 103 GLY H 3.300 . 4.600 2.654 2.554 2.772 . 0 0 "[ . 1 . 2]" 1
683 1 86 LYS HB2 1 103 GLY H 3.900 . 5.800 3.230 2.762 3.428 . 0 0 "[ . 1 . 2]" 1
684 1 102 VAL MG1 1 103 GLY H 3.500 . 5.000 4.001 3.909 4.085 . 0 0 "[ . 1 . 2]" 1
685 1 102 VAL MG2 1 103 GLY H 2.600 . 3.500 2.965 2.896 3.119 . 0 0 "[ . 1 . 2]" 1
686 1 59 LEU QD 1 103 GLY H 3.700 . 5.400 3.517 3.282 3.682 . 0 0 "[ . 1 . 2]" 1
687 1 103 GLY H 1 104 SER H 3.000 . 4.100 3.644 3.331 3.957 . 0 0 "[ . 1 . 2]" 1
688 1 104 SER H 1 105 CYS H 3.700 . 5.400 4.343 4.303 4.370 . 0 0 "[ . 1 . 2]" 1
689 1 87 PHE HA 1 104 SER H 3.900 . 5.800 4.411 3.975 4.881 . 0 0 "[ . 1 . 2]" 1
690 1 104 SER H 1 104 SER HA 2.400 . 3.100 2.880 2.828 2.933 . 0 0 "[ . 1 . 2]" 1
691 1 102 VAL MG2 1 104 SER H 3.700 . 5.400 4.411 4.167 4.545 . 0 0 "[ . 1 . 2]" 1
692 1 59 LEU QD 1 104 SER H 3.800 . 3.800 3.359 3.143 3.542 . 0 0 "[ . 1 . 2]" 1
693 1 104 SER HB3 1 105 CYS H 3.400 . 4.800 3.017 2.121 3.701 . 0 0 "[ . 1 . 2]" 1
694 1 105 CYS H 1 105 CYS QB 2.500 . 3.300 2.612 2.188 3.107 . 0 0 "[ . 1 . 2]" 1
695 1 59 LEU HB2 1 105 CYS H 4.000 . 6.000 3.086 2.867 3.356 . 0 0 "[ . 1 . 2]" 1
696 1 1 MET HA 1 1 MET HG2 3.500 . 5.100 3.306 2.414 3.870 . 0 0 "[ . 1 . 2]" 1
697 1 1 MET HA 1 1 MET HG3 3.500 . 5.000 3.244 2.406 4.266 . 0 0 "[ . 1 . 2]" 1
698 1 1 MET HA 1 2 GLN HA 2.900 . 6.000 4.449 4.281 4.660 . 0 0 "[ . 1 . 2]" 1
699 1 1 MET HA 1 1 MET QB 2.400 . 3.100 2.314 2.174 2.440 . 0 0 "[ . 1 . 2]" 1
700 1 1 MET QB 1 1 MET HG3 2.900 . 3.900 2.316 2.157 2.426 . 0 0 "[ . 1 . 2]" 1
701 1 2 GLN HA 1 2 GLN HB2 2.600 . 3.400 2.861 2.408 3.032 . 0 0 "[ . 1 . 2]" 1
702 1 2 GLN HA 1 2 GLN QG 2.500 . 3.300 2.621 2.314 3.414 0.114 10 0 "[ . 1 . 2]" 1
703 1 3 ASP HA 1 97 VAL MG1 2.400 . 3.100 2.246 1.716 2.775 . 0 0 "[ . 1 . 2]" 1
704 1 3 ASP HA 1 3 ASP HB2 2.200 . 2.800 2.516 2.336 3.004 0.204 9 0 "[ . 1 . 2]" 1
705 1 3 ASP HA 1 3 ASP HB3 2.200 . 2.800 2.529 2.380 2.977 0.177 14 0 "[ . 1 . 2]" 1
706 1 3 ASP HB3 1 97 VAL MG1 2.900 . 3.900 3.742 2.246 4.500 0.600 6 2 "[ .+ 1- . 2]" 1
707 1 2 GLN HB3 1 3 ASP H 3.600 . 5.300 3.709 2.500 4.288 . 0 0 "[ . 1 . 2]" 1
708 1 2 GLN QG 1 3 ASP H 3.700 . 5.400 4.034 2.661 4.818 . 0 0 "[ . 1 . 2]" 1
709 1 3 ASP H 1 3 ASP HA 2.600 . 3.500 2.913 2.835 2.933 . 0 0 "[ . 1 . 2]" 1
710 1 3 ASP H 1 97 VAL HB 3.600 . 5.200 4.630 3.908 5.210 0.010 11 0 "[ . 1 . 2]" 1
711 1 4 TRP HA 1 4 TRP HB2 2.600 . 3.400 2.417 2.362 2.458 . 0 0 "[ . 1 . 2]" 1
712 1 4 TRP HA 1 4 TRP HB3 2.700 . 3.600 3.021 3.011 3.026 . 0 0 "[ . 1 . 2]" 1
713 1 4 TRP HA 1 95 ALA MB 3.100 . 4.300 3.614 3.381 3.879 . 0 0 "[ . 1 . 2]" 1
714 1 4 TRP HB2 1 95 ALA MB 2.300 . 2.900 1.854 1.694 2.033 0.006 2 0 "[ . 1 . 2]" 1
715 1 4 TRP HB2 1 97 VAL MG1 3.300 . 4.700 3.331 2.682 3.923 . 0 0 "[ . 1 . 2]" 1
716 1 4 TRP HE1 1 8 GLN QG 3.900 . 5.800 3.846 3.473 4.166 . 0 0 "[ . 1 . 2]" 1
717 1 4 TRP HE1 1 46 LYS HD3 3.300 . 4.700 4.095 3.779 4.349 . 0 0 "[ . 1 . 2]" 1
718 1 4 TRP HE1 1 46 LYS HD2 3.300 . 4.600 2.561 2.270 2.935 . 0 0 "[ . 1 . 2]" 1
719 1 4 TRP HE1 1 46 LYS HE2 3.500 . 5.000 4.703 4.183 5.066 0.066 12 0 "[ . 1 . 2]" 1
720 1 4 TRP HE1 1 46 LYS HE3 3.100 . 4.300 3.830 3.218 4.214 . 0 0 "[ . 1 . 2]" 1
721 1 4 TRP HE1 1 46 LYS HG3 4.100 . 6.000 4.478 4.192 5.043 . 0 0 "[ . 1 . 2]" 1
722 1 4 TRP HE3 1 46 LYS HA 3.900 . 5.800 4.938 4.757 5.058 . 0 0 "[ . 1 . 2]" 1
723 1 4 TRP HE3 1 96 PRO HB3 3.900 . 5.800 4.396 4.108 4.579 . 0 0 "[ . 1 . 2]" 1
724 1 4 TRP HH2 1 8 GLN QG 3.300 . 4.600 3.771 3.457 4.252 . 0 0 "[ . 1 . 2]" 1
725 1 4 TRP HH2 1 42 PRO HB3 3.300 . 4.600 3.888 3.587 4.085 . 0 0 "[ . 1 . 2]" 1
726 1 4 TRP HH2 1 46 LYS HA 3.300 . 4.600 3.680 3.450 3.863 . 0 0 "[ . 1 . 2]" 1
727 1 3 ASP HB3 1 4 TRP H 2.600 . 3.500 3.232 1.677 3.695 0.195 6 0 "[ . 1 . 2]" 1
728 1 4 TRP H 1 4 TRP HA 2.700 . 3.600 2.786 2.739 2.828 . 0 0 "[ . 1 . 2]" 1
729 1 4 TRP H 1 4 TRP HB3 2.500 . 3.300 2.456 2.345 2.561 . 0 0 "[ . 1 . 2]" 1
730 1 4 TRP H 1 97 VAL MG1 2.900 . 3.900 2.576 1.882 3.156 0.018 20 0 "[ . 1 . 2]" 1
731 1 4 TRP HZ2 1 42 PRO HG2 3.400 . 4.900 4.347 4.010 4.602 . 0 0 "[ . 1 . 2]" 1
732 1 4 TRP HZ2 1 46 LYS HG3 3.900 . 5.800 4.252 3.786 4.551 . 0 0 "[ . 1 . 2]" 1
733 1 4 TRP HZ3 1 46 LYS HA 3.400 . 4.800 3.935 3.635 4.174 . 0 0 "[ . 1 . 2]" 1
734 1 5 LEU HA 1 5 LEU HB2 2.400 . 3.100 3.009 2.988 3.022 . 0 0 "[ . 1 . 2]" 1
735 1 5 LEU HA 1 5 LEU MD1 2.400 . 3.100 1.994 1.872 3.217 0.117 11 0 "[ . 1 . 2]" 1
736 1 5 LEU HA 1 5 LEU MD2 2.400 . 3.100 2.876 2.494 3.338 0.238 11 0 "[ . 1 . 2]" 1
737 1 5 LEU HA 1 5 LEU HG 3.000 . 4.200 3.633 2.198 3.737 . 0 0 "[ . 1 . 2]" 1
738 1 5 LEU HA 1 5 LEU HB3 2.300 . 3.000 2.542 2.478 2.615 . 0 0 "[ . 1 . 2]" 1
739 1 5 LEU HB2 1 5 LEU MD2 2.200 . 2.800 2.360 2.279 2.712 . 0 0 "[ . 1 . 2]" 1
740 1 5 LEU MD1 1 9 LYS HG3 2.900 . 6.000 5.117 4.427 6.680 0.680 11 1 "[ . 1+ . 2]" 1
741 1 4 TRP HB3 1 5 LEU HG 3.800 . 5.600 5.414 4.212 5.592 . 0 0 "[ . 1 . 2]" 1
742 1 3 ASP HB2 1 5 LEU H 3.400 . 4.900 3.532 2.992 4.439 . 0 0 "[ . 1 . 2]" 1
743 1 4 TRP HB2 1 5 LEU H 3.100 . 4.300 3.995 3.902 4.103 . 0 0 "[ . 1 . 2]" 1
744 1 5 LEU H 1 5 LEU HG 2.800 . 3.800 3.854 3.266 3.924 0.124 10 0 "[ . 1 . 2]" 1
745 1 6 THR HA 1 6 THR HB 2.900 . 3.900 3.027 3.019 3.033 . 0 0 "[ . 1 . 2]" 1
746 1 6 THR HA 1 6 THR MG 2.400 . 3.100 2.349 2.303 2.405 . 0 0 "[ . 1 . 2]" 1
747 1 6 THR HA 1 9 LYS QD 3.000 . 4.100 2.742 2.194 4.231 0.131 17 0 "[ . 1 . 2]" 1
748 1 6 THR HB 1 7 PHE HB3 3.800 . 5.600 5.132 4.999 5.305 . 0 0 "[ . 1 . 2]" 1
749 1 6 THR HB 1 7 PHE HB2 3.500 . 5.000 4.292 4.096 4.526 . 0 0 "[ . 1 . 2]" 1
750 1 6 THR MG 1 7 PHE HA 2.800 . 3.800 3.788 3.680 3.869 0.069 6 0 "[ . 1 . 2]" 1
751 1 4 TRP HB3 1 6 THR H 4.000 . 6.000 5.114 4.908 5.340 . 0 0 "[ . 1 . 2]" 1
752 1 7 PHE HA 1 7 PHE HB3 2.800 . 3.800 3.031 3.028 3.035 . 0 0 "[ . 1 . 2]" 1
753 1 7 PHE HA 1 10 LYS QD 3.400 . 4.900 3.955 3.265 4.953 0.053 2 0 "[ . 1 . 2]" 1
754 1 4 TRP HA 1 7 PHE HB3 2.600 . 3.400 2.385 2.015 2.539 . 0 0 "[ . 1 . 2]" 1
755 1 4 TRP HA 1 7 PHE HB2 2.400 . 3.100 2.992 2.695 3.129 0.029 10 0 "[ . 1 . 2]" 1
756 1 7 PHE HA 1 7 PHE HB2 2.500 . 3.300 2.505 2.479 2.528 . 0 0 "[ . 1 . 2]" 1
757 1 4 TRP HA 1 7 PHE H 3.000 . 4.100 3.411 3.192 3.547 . 0 0 "[ . 1 . 2]" 1
758 1 6 THR HB 1 7 PHE H 2.600 . 3.400 2.650 2.512 2.868 . 0 0 "[ . 1 . 2]" 1
759 1 7 PHE HZ 1 38 ILE MD 2.600 . 3.400 3.106 2.809 3.312 . 0 0 "[ . 1 . 2]" 1
760 1 7 PHE HZ 1 89 VAL MG1 2.300 . 3.000 2.176 1.930 2.405 . 0 0 "[ . 1 . 2]" 1
761 1 7 PHE HZ 1 96 PRO HB3 3.300 . 4.700 3.691 3.450 3.968 . 0 0 "[ . 1 . 2]" 1
762 1 7 PHE HZ 1 96 PRO HG3 2.900 . 6.000 5.435 5.133 5.794 . 0 0 "[ . 1 . 2]" 1
763 1 8 GLN HA 1 12 ILE HB 2.700 . 3.600 2.843 2.172 3.188 . 0 0 "[ . 1 . 2]" 1
764 1 8 GLN HA 1 12 ILE MD 2.600 . 3.400 3.282 1.717 3.448 0.083 6 0 "[ . 1 . 2]" 1
765 1 8 GLN HA 1 12 ILE HG13 2.900 . 3.900 2.466 1.922 4.072 0.172 6 0 "[ . 1 . 2]" 1
766 1 8 GLN HA 1 12 ILE HG12 2.800 . 3.800 1.980 1.775 3.610 0.025 12 0 "[ . 1 . 2]" 1
767 1 8 GLN HA 1 8 GLN HB2 2.500 . 3.300 2.967 2.931 3.010 . 0 0 "[ . 1 . 2]" 1
768 1 8 GLN HB2 1 8 GLN QG 2.300 . 3.000 2.334 2.300 2.369 . 0 0 "[ . 1 . 2]" 1
769 1 8 GLN HA 1 8 GLN HB3 2.400 . 3.100 2.627 2.418 2.708 . 0 0 "[ . 1 . 2]" 1
770 1 8 GLN HB3 1 8 GLN QG 2.400 . 3.100 2.344 2.299 2.375 . 0 0 "[ . 1 . 2]" 1
771 1 5 LEU HA 1 8 GLN HE21 2.700 . 3.600 2.385 1.503 3.625 0.297 6 0 "[ . 1 . 2]" 1
772 1 5 LEU HB3 1 8 GLN HE21 3.900 . 5.800 4.786 3.879 6.004 0.204 20 0 "[ . 1 . 2]" 1
773 1 5 LEU MD1 1 8 GLN HE21 3.200 . 4.500 2.631 2.203 3.572 . 0 0 "[ . 1 . 2]" 1
774 1 8 GLN HE21 1 8 GLN HG3 2.800 . 3.700 2.273 2.221 2.871 . 0 0 "[ . 1 . 2]" 1
775 1 5 LEU HA 1 8 GLN HG3 3.000 . 4.100 3.744 3.111 4.110 0.010 14 0 "[ . 1 . 2]" 1
776 1 8 GLN HA 1 8 GLN QG 2.300 . 2.900 2.282 2.215 2.517 . 0 0 "[ . 1 . 2]" 1
777 1 8 GLN HG2 1 12 ILE HB 2.600 . 3.500 3.442 2.962 3.557 0.057 1 0 "[ . 1 . 2]" 1
778 1 5 LEU HA 1 8 GLN H 3.100 . 4.300 3.609 3.358 3.833 . 0 0 "[ . 1 . 2]" 1
779 1 7 PHE HA 1 8 GLN H 3.100 . 4.300 3.534 3.527 3.557 . 0 0 "[ . 1 . 2]" 1
780 1 7 PHE HB3 1 8 GLN H 2.700 . 3.600 2.488 2.431 2.540 . 0 0 "[ . 1 . 2]" 1
781 1 7 PHE HB2 1 8 GLN H 2.900 . 4.000 3.755 3.697 3.801 . 0 0 "[ . 1 . 2]" 1
782 1 8 GLN H 1 8 GLN HA 2.400 . 3.100 2.766 2.743 2.789 . 0 0 "[ . 1 . 2]" 1
783 1 8 GLN H 1 8 GLN HB2 2.500 . 3.300 2.218 2.129 2.544 . 0 0 "[ . 1 . 2]" 1
784 1 8 GLN H 1 8 GLN HG3 2.400 . 3.100 2.695 1.961 3.015 . 0 0 "[ . 1 . 2]" 1
785 1 9 LYS HA 1 9 LYS QD 3.000 . 4.100 3.991 2.158 4.193 0.093 3 0 "[ . 1 . 2]" 1
786 1 9 LYS HA 1 9 LYS HG3 2.800 . 3.800 3.011 2.760 3.826 0.026 17 0 "[ . 1 . 2]" 1
787 1 9 LYS HB2 1 10 LYS QD 2.400 . 6.000 4.678 3.957 5.404 . 0 0 "[ . 1 . 2]" 1
788 1 9 LYS HA 1 9 LYS HB3 2.200 . 2.800 2.457 2.317 2.570 . 0 0 "[ . 1 . 2]" 1
789 1 9 LYS HB3 1 28 LEU MD2 2.500 . 3.300 1.876 1.653 2.674 0.047 6 0 "[ . 1 . 2]" 1
790 1 9 LYS QD 1 9 LYS QE 2.000 . 2.500 2.038 1.996 2.093 . 0 0 "[ . 1 . 2]" 1
791 1 9 LYS HA 1 9 LYS HG2 2.500 . 3.300 2.727 2.596 3.144 . 0 0 "[ . 1 . 2]" 1
792 1 5 LEU HA 1 9 LYS H 3.700 . 5.400 4.497 4.163 4.771 . 0 0 "[ . 1 . 2]" 1
793 1 8 GLN HA 1 9 LYS H 3.100 . 4.300 3.562 3.542 3.589 . 0 0 "[ . 1 . 2]" 1
794 1 8 GLN HB2 1 9 LYS H 2.900 . 3.900 2.412 2.238 2.619 . 0 0 "[ . 1 . 2]" 1
795 1 8 GLN HB3 1 9 LYS H 2.700 . 3.600 2.837 2.687 3.431 . 0 0 "[ . 1 . 2]" 1
796 1 9 LYS H 1 9 LYS HA 2.400 . 3.100 2.760 2.739 2.786 . 0 0 "[ . 1 . 2]" 1
797 1 9 LYS H 1 9 LYS HG3 2.600 . 3.500 2.060 1.706 3.436 . 0 0 "[ . 1 . 2]" 1
798 1 9 LYS H 1 9 LYS HG2 2.900 . 3.900 3.264 1.896 3.736 0.004 17 0 "[ . 1 . 2]" 1
799 1 10 LYS HA 1 10 LYS HB2 2.900 . 4.000 2.989 2.617 3.022 . 0 0 "[ . 1 . 2]" 1
800 1 10 LYS HA 1 10 LYS HG2 3.000 . 4.100 2.519 2.307 3.120 . 0 0 "[ . 1 . 2]" 1
801 1 7 PHE HA 1 10 LYS HB3 3.400 . 4.800 4.657 3.241 4.896 0.096 1 0 "[ . 1 . 2]" 1
802 1 10 LYS HA 1 10 LYS HB3 2.600 . 3.400 2.552 2.440 2.995 . 0 0 "[ . 1 . 2]" 1
803 1 10 LYS HB3 1 10 LYS HE2 3.500 . 5.000 3.994 2.126 4.648 . 0 0 "[ . 1 . 2]" 1
804 1 10 LYS QD 1 10 LYS HE3 3.100 . 4.300 2.283 2.164 2.420 . 0 0 "[ . 1 . 2]" 1
805 1 10 LYS HA 1 10 LYS HG3 2.500 . 3.300 2.955 2.290 3.170 . 0 0 "[ . 1 . 2]" 1
806 1 10 LYS HB3 1 10 LYS HG3 3.000 . 4.100 3.008 2.991 3.014 . 0 0 "[ . 1 . 2]" 1
807 1 10 LYS QD 1 10 LYS HG3 2.600 . 3.500 2.297 2.155 2.401 . 0 0 "[ . 1 . 2]" 1
808 1 6 THR HA 1 10 LYS H 3.400 . 4.900 4.551 4.289 4.824 . 0 0 "[ . 1 . 2]" 1
809 1 8 GLN HB3 1 10 LYS H 3.300 . 4.700 4.890 4.807 5.383 0.683 6 1 "[ .+ 1 . 2]" 1
810 1 9 LYS HA 1 10 LYS H 3.100 . 4.300 3.474 3.450 3.532 . 0 0 "[ . 1 . 2]" 1
811 1 9 LYS HB3 1 10 LYS H 3.000 . 4.100 3.820 3.551 4.104 0.004 1 0 "[ . 1 . 2]" 1
812 1 10 LYS H 1 10 LYS HB3 3.100 . 4.300 3.577 2.748 3.666 . 0 0 "[ . 1 . 2]" 1
813 1 10 LYS H 1 10 LYS QD 3.500 . 5.000 4.056 3.785 4.487 . 0 0 "[ . 1 . 2]" 1
814 1 10 LYS H 1 10 LYS HG3 3.300 . 4.700 2.836 2.403 4.386 . 0 0 "[ . 1 . 2]" 1
815 1 11 HIS HA 1 11 HIS HB2 2.400 . 3.100 3.013 3.003 3.019 . 0 0 "[ . 1 . 2]" 1
816 1 11 HIS HB2 1 38 ILE HB 3.400 . 4.800 4.991 4.695 5.282 0.482 20 0 "[ . 1 . 2]" 1
817 1 11 HIS HB2 1 38 ILE MD 2.600 . 3.400 3.411 3.158 3.749 0.349 20 0 "[ . 1 . 2]" 1
818 1 11 HIS HA 1 11 HIS HB3 2.500 . 3.300 2.505 2.458 2.563 . 0 0 "[ . 1 . 2]" 1
819 1 8 GLN HB3 1 11 HIS H 3.500 . 5.100 5.137 5.078 5.175 0.075 16 0 "[ . 1 . 2]" 1
820 1 11 HIS H 1 11 HIS HA 3.000 . 4.100 2.942 2.928 2.953 . 0 0 "[ . 1 . 2]" 1
821 1 11 HIS H 1 11 HIS HB2 3.100 . 4.300 2.741 2.675 2.789 . 0 0 "[ . 1 . 2]" 1
822 1 8 GLN HA 1 12 ILE HA 3.900 . 5.800 4.674 4.399 4.798 . 0 0 "[ . 1 . 2]" 1
823 1 12 ILE HA 1 12 ILE HB 2.900 . 3.900 3.023 2.991 3.030 . 0 0 "[ . 1 . 2]" 1
824 1 12 ILE HA 1 12 ILE MD 2.600 . 3.400 2.124 1.968 3.599 0.199 11 0 "[ . 1 . 2]" 1
825 1 12 ILE HA 1 12 ILE HG13 3.200 . 4.500 3.613 2.165 3.742 . 0 0 "[ . 1 . 2]" 1
826 1 12 ILE HA 1 12 ILE MG 2.300 . 2.900 2.426 2.382 2.639 . 0 0 "[ . 1 . 2]" 1
827 1 12 ILE HA 1 13 THR MG 2.700 . 6.000 3.945 3.746 4.056 . 0 0 "[ . 1 . 2]" 1
828 1 12 ILE HB 1 12 ILE MD 2.400 . 6.000 3.162 2.372 3.244 . 0 0 "[ . 1 . 2]" 1
829 1 12 ILE HB 1 12 ILE MG 2.000 . 2.500 2.126 2.122 2.139 . 0 0 "[ . 1 . 2]" 1
830 1 12 ILE MD 1 42 PRO HA 2.300 . 2.900 2.498 1.669 2.890 0.031 11 0 "[ . 1 . 2]" 1
831 1 12 ILE HB 1 12 ILE HG13 2.600 . 3.400 2.484 2.357 2.998 . 0 0 "[ . 1 . 2]" 1
832 1 12 ILE MD 1 12 ILE HG13 2.300 . 3.000 2.118 2.105 2.123 . 0 0 "[ . 1 . 2]" 1
833 1 12 ILE HG13 1 12 ILE MG 2.600 . 3.400 2.380 2.305 3.198 . 0 0 "[ . 1 . 2]" 1
834 1 12 ILE HA 1 12 ILE HG12 2.600 . 3.400 3.059 2.250 3.483 0.083 6 0 "[ . 1 . 2]" 1
835 1 12 ILE HG12 1 12 ILE MG 2.400 . 3.100 3.110 2.184 3.198 0.098 9 0 "[ . 1 . 2]" 1
836 1 12 ILE MG 1 42 PRO HD3 3.100 . 4.300 2.067 1.870 2.952 0.030 4 0 "[ . 1 . 2]" 1
837 1 12 ILE MG 1 42 PRO HG2 3.000 . 4.100 4.159 4.009 4.254 0.154 11 0 "[ . 1 . 2]" 1
838 1 12 ILE MG 1 42 PRO HG3 2.800 . 3.800 3.106 2.448 3.412 . 0 0 "[ . 1 . 2]" 1
839 1 12 ILE H 1 12 ILE HA 2.800 . 3.800 2.938 2.929 2.951 . 0 0 "[ . 1 . 2]" 1
840 1 12 ILE H 1 12 ILE MD 3.000 . 4.100 3.532 2.656 4.149 0.049 11 0 "[ . 1 . 2]" 1
841 1 12 ILE H 1 12 ILE MG 2.900 . 4.000 3.814 3.652 3.845 . 0 0 "[ . 1 . 2]" 1
842 1 12 ILE H 1 13 THR HB 3.100 . 6.000 5.123 4.971 5.268 . 0 0 "[ . 1 . 2]" 1
843 1 12 ILE HA 1 13 THR HB 3.800 . 5.600 4.664 4.503 4.824 . 0 0 "[ . 1 . 2]" 1
844 1 13 THR HA 1 13 THR HB 2.200 . 2.800 2.492 2.447 2.525 . 0 0 "[ . 1 . 2]" 1
845 1 13 THR HB 1 13 THR MG 2.200 . 2.800 2.133 2.129 2.136 . 0 0 "[ . 1 . 2]" 1
846 1 13 THR HB 1 37 PHE HB3 2.700 . 3.600 2.639 2.474 2.790 . 0 0 "[ . 1 . 2]" 1
847 1 13 THR MG 1 18 VAL HA 3.300 . 4.600 4.636 4.398 4.743 0.143 1 0 "[ . 1 . 2]" 1
848 1 13 THR MG 1 18 VAL QG 2.300 . 3.000 2.893 2.447 2.996 . 0 0 "[ . 1 . 2]" 1
849 1 13 THR MG 1 39 TYR HA 2.400 . 3.100 2.352 2.173 2.512 . 0 0 "[ . 1 . 2]" 1
850 1 12 ILE HA 1 13 THR H 2.100 . 2.700 2.145 2.113 2.174 . 0 0 "[ . 1 . 2]" 1
851 1 12 ILE HB 1 13 THR H 3.500 . 5.000 4.364 4.259 4.479 . 0 0 "[ . 1 . 2]" 1
852 1 12 ILE MD 1 13 THR H 3.400 . 4.800 3.825 3.622 4.886 0.086 11 0 "[ . 1 . 2]" 1
853 1 12 ILE HG12 1 13 THR H 3.600 . 5.200 5.098 4.180 5.187 . 0 0 "[ . 1 . 2]" 1
854 1 13 THR H 1 13 THR HB 3.000 . 4.100 3.132 3.052 3.272 . 0 0 "[ . 1 . 2]" 1
855 1 13 THR H 1 39 TYR HA 3.100 . 4.300 3.505 3.400 3.604 . 0 0 "[ . 1 . 2]" 1
856 1 13 THR MG 1 14 ASN HA 2.900 . 3.900 3.900 3.793 3.987 0.087 20 0 "[ . 1 . 2]" 1
857 1 14 ASN HA 1 14 ASN HB2 2.200 . 2.800 2.568 2.435 3.025 0.225 6 0 "[ . 1 . 2]" 1
858 1 14 ASN HA 1 14 ASN HB3 2.300 . 3.000 2.564 2.372 3.028 0.028 12 0 "[ . 1 . 2]" 1
859 1 14 ASN HB2 1 14 ASN HD21 2.800 . 3.800 2.789 2.168 3.505 . 0 0 "[ . 1 . 2]" 1
860 1 14 ASN HB3 1 14 ASN HD22 3.100 . 4.300 3.771 3.456 4.084 . 0 0 "[ . 1 . 2]" 1
861 1 13 THR HA 1 14 ASN H 2.100 . 2.600 2.313 2.240 2.394 . 0 0 "[ . 1 . 2]" 1
862 1 14 ASN H 1 14 ASN HA 2.700 . 3.600 2.944 2.940 2.950 . 0 0 "[ . 1 . 2]" 1
863 1 14 ASN H 1 14 ASN HB2 2.900 . 3.900 3.356 2.412 3.731 . 0 0 "[ . 1 . 2]" 1
864 1 14 ASN H 1 14 ASN HB3 2.900 . 3.900 3.045 2.509 3.730 . 0 0 "[ . 1 . 2]" 1
865 1 15 THR HA 1 15 THR MG 2.600 . 3.500 3.218 3.202 3.233 . 0 0 "[ . 1 . 2]" 1
866 1 15 THR HA 1 15 THR HB 2.300 . 2.900 2.437 2.393 2.481 . 0 0 "[ . 1 . 2]" 1
867 1 15 THR HB 1 15 THR MG 2.200 . 2.800 2.132 2.129 2.135 . 0 0 "[ . 1 . 2]" 1
868 1 13 THR HA 1 15 THR H 3.000 . 4.200 3.897 3.583 4.055 . 0 0 "[ . 1 . 2]" 1
869 1 13 THR MG 1 15 THR H 2.800 . 3.800 2.570 2.195 3.158 . 0 0 "[ . 1 . 2]" 1
870 1 14 ASN HA 1 15 THR H 2.900 . 3.900 3.100 2.966 3.244 . 0 0 "[ . 1 . 2]" 1
871 1 15 THR H 1 15 THR HA 2.500 . 3.300 2.929 2.918 2.942 . 0 0 "[ . 1 . 2]" 1
872 1 15 THR H 1 15 THR HB 2.800 . 3.800 3.270 3.003 3.393 . 0 0 "[ . 1 . 2]" 1
873 1 15 THR H 1 15 THR MG 2.200 . 2.800 2.246 2.096 2.362 . 0 0 "[ . 1 . 2]" 1
874 1 16 ARG HA 1 16 ARG QG 3.100 . 4.300 2.810 2.699 2.986 . 0 0 "[ . 1 . 2]" 1
875 1 16 ARG HA 1 16 ARG HB2 2.400 . 3.100 2.988 2.467 3.027 . 0 0 "[ . 1 . 2]" 1
876 1 16 ARG HA 1 16 ARG HB3 2.300 . 2.900 2.568 2.502 3.023 0.123 10 0 "[ . 1 . 2]" 1
877 1 16 ARG HB3 1 16 ARG HD2 2.200 . 2.800 2.903 2.759 3.744 0.944 10 1 "[ . + . 2]" 1
878 1 16 ARG HA 1 16 ARG HD2 2.400 . 3.100 1.886 1.771 2.125 . 0 0 "[ . 1 . 2]" 1
879 1 16 ARG QD 1 16 ARG HE 2.600 . 3.500 2.398 2.358 2.443 . 0 0 "[ . 1 . 2]" 1
880 1 16 ARG HE 1 82 LYS QB 3.600 . 5.200 3.789 3.200 4.409 . 0 0 "[ . 1 . 2]" 1
881 1 16 ARG HE 1 82 LYS HD3 3.600 . 5.200 4.077 3.033 4.912 . 0 0 "[ . 1 . 2]" 1
882 1 15 THR HA 1 16 ARG QG 3.100 . 4.300 4.088 3.877 5.860 1.560 10 1 "[ . + . 2]" 1
883 1 16 ARG HA 1 16 ARG HH11 3.300 . 4.700 2.584 1.873 3.450 0.027 16 0 "[ . 1 . 2]" 1
884 1 16 ARG HD2 1 16 ARG HH11 2.400 . 3.100 1.718 1.675 1.791 0.025 20 0 "[ . 1 . 2]" 1
885 1 16 ARG HH11 1 39 TYR HB2 2.900 . 4.000 2.653 1.997 3.203 . 0 0 "[ . 1 . 2]" 1
886 1 16 ARG HH11 1 39 TYR HB3 3.000 . 4.100 2.913 2.575 3.312 . 0 0 "[ . 1 . 2]" 1
887 1 16 ARG QH1 1 65 TYR HA 3.000 . 4.100 3.685 3.344 4.136 0.036 20 0 "[ . 1 . 2]" 1
888 1 16 ARG QH1 1 65 TYR HB2 3.100 . 4.300 3.485 3.277 3.797 . 0 0 "[ . 1 . 2]" 1
889 1 16 ARG QH1 1 67 SER HA 4.000 . 6.000 3.361 3.154 3.611 . 0 0 "[ . 1 . 2]" 1
890 1 16 ARG HH12 1 82 LYS HA 3.100 . 4.300 3.163 2.961 3.573 . 0 0 "[ . 1 . 2]" 1
891 1 16 ARG HH12 1 83 SER HA 3.500 . 5.000 4.399 3.923 5.220 0.220 12 0 "[ . 1 . 2]" 1
892 1 16 ARG QH1 1 84 THR HA 3.700 . 5.400 4.688 4.354 5.018 . 0 0 "[ . 1 . 2]" 1
893 1 15 THR HA 1 16 ARG H 2.100 . 2.700 2.247 2.123 2.384 . 0 0 "[ . 1 . 2]" 1
894 1 16 ARG H 1 16 ARG HA 2.700 . 3.600 2.849 2.815 2.894 . 0 0 "[ . 1 . 2]" 1
895 1 16 ARG H 1 16 ARG HB3 2.800 . 3.800 3.537 2.509 3.619 . 0 0 "[ . 1 . 2]" 1
896 1 16 ARG H 1 17 ASP HB3 3.900 . 5.800 5.228 4.675 6.023 0.223 2 0 "[ . 1 . 2]" 1
897 1 17 ASP HA 1 17 ASP HB2 2.300 . 3.000 2.565 2.466 3.019 0.019 2 0 "[ . 1 . 2]" 1
898 1 17 ASP HA 1 17 ASP HB3 2.600 . 3.400 2.805 2.356 3.032 . 0 0 "[ . 1 . 2]" 1
899 1 17 ASP HA 1 80 LEU QD 2.100 . 2.700 2.235 1.943 2.481 . 0 0 "[ . 1 . 2]" 1
900 1 17 ASP HB2 1 18 VAL HA 3.200 . 6.000 5.645 4.902 6.026 0.026 4 0 "[ . 1 . 2]" 1
901 1 17 ASP H 1 17 ASP HB2 2.600 . 3.400 3.008 2.343 3.651 0.251 7 0 "[ . 1 . 2]" 1
902 1 17 ASP H 1 17 ASP HB3 2.400 . 3.100 2.829 2.543 3.574 0.474 2 0 "[ . 1 . 2]" 1
903 1 15 THR MG 1 18 VAL HA 2.400 . 3.100 2.210 1.753 2.746 . 0 0 "[ . 1 . 2]" 1
904 1 18 VAL HA 1 18 VAL QG 2.300 . 3.100 2.421 2.135 2.492 . 0 0 "[ . 1 . 2]" 1
905 1 18 VAL HA 1 18 VAL HB 2.700 . 3.600 2.387 2.320 3.028 . 0 0 "[ . 1 . 2]" 1
906 1 18 VAL HB 1 18 VAL QG 2.100 . 2.700 1.892 1.888 1.895 . 0 0 "[ . 1 . 2]" 1
907 1 13 THR HA 1 18 VAL QG 3.700 . 6.000 4.821 4.537 5.047 . 0 0 "[ . 1 . 2]" 1
908 1 13 THR HB 1 18 VAL QG 2.900 . 4.000 3.345 3.152 3.503 . 0 0 "[ . 1 . 2]" 1
909 1 18 VAL MG1 1 18 VAL MG2 2.000 . 2.500 2.059 2.025 2.074 . 0 0 "[ . 1 . 2]" 1
910 1 18 VAL QG 1 20 CYS HA . . 3.100 2.965 2.267 3.069 . 0 0 "[ . 1 . 2]" 1
911 1 18 VAL QG 1 37 PHE HB2 2.600 . 3.400 2.545 2.416 2.647 . 0 0 "[ . 1 . 2]" 1
912 1 18 VAL QG 1 67 SER HA 3.900 . 5.800 4.424 4.234 4.554 . 0 0 "[ . 1 . 2]" 1
913 1 18 VAL QG 1 80 LEU QD 2.600 . 3.500 2.038 1.887 2.175 0.013 6 0 "[ . 1 . 2]" 1
914 1 18 VAL QG 1 23 ILE HB 2.900 . 3.900 3.061 2.864 3.270 . 0 0 "[ . 1 . 2]" 1
915 1 18 VAL QG 1 23 ILE MG 2.400 . 3.100 2.960 2.713 3.148 0.048 13 0 "[ . 1 . 2]" 1
916 1 18 VAL QG 1 67 SER HB3 . . 3.600 2.461 2.229 2.574 . 0 0 "[ . 1 . 2]" 1
917 1 18 VAL QG 1 67 SER HB2 . . 3.100 2.385 2.285 2.478 . 0 0 "[ . 1 . 2]" 1
918 1 16 ARG HA 1 18 VAL H 3.700 . 5.400 4.696 4.253 5.103 . 0 0 "[ . 1 . 2]" 1
919 1 17 ASP HB2 1 18 VAL H 3.400 . 4.800 4.435 3.995 4.668 . 0 0 "[ . 1 . 2]" 1
920 1 17 ASP HB3 1 18 VAL H 3.500 . 5.100 4.424 4.261 4.549 . 0 0 "[ . 1 . 2]" 1
921 1 18 VAL HA 1 19 ASP HA 3.000 . 6.000 4.329 4.283 4.412 . 0 0 "[ . 1 . 2]" 1
922 1 18 VAL QG 1 19 ASP HA 2.800 . 3.800 3.709 3.651 3.787 . 0 0 "[ . 1 . 2]" 1
923 1 19 ASP HA 1 19 ASP HB2 2.600 . 3.500 2.622 2.468 3.018 . 0 0 "[ . 1 . 2]" 1
924 1 19 ASP HB2 1 23 ILE MD 3.000 . 4.100 3.895 2.616 5.091 0.991 2 2 "[ + . 1 .- 2]" 1
925 1 18 VAL HB 1 19 ASP H 3.400 . 4.800 4.001 3.839 4.140 . 0 0 "[ . 1 . 2]" 1
926 1 19 ASP H 1 23 ILE MD 2.900 . 4.000 2.721 2.294 3.960 . 0 0 "[ . 1 . 2]" 1
927 1 20 CYS HA 1 23 ILE HB 3.000 . 4.100 2.810 2.068 3.217 . 0 0 "[ . 1 . 2]" 1
928 1 20 CYS HA 1 24 LEU HB2 3.800 . 5.600 4.000 2.938 4.641 . 0 0 "[ . 1 . 2]" 1
929 1 20 CYS HA 1 24 LEU QD 2.800 . 3.600 2.690 1.723 3.228 0.077 15 0 "[ . 1 . 2]" 1
930 1 20 CYS HA 1 24 LEU HG 3.600 . 5.200 2.707 1.967 4.979 0.033 1 0 "[ . 1 . 2]" 1
931 1 20 CYS HA 1 20 CYS HB2 2.700 . 3.600 2.997 2.880 3.020 . 0 0 "[ . 1 . 2]" 1
932 1 20 CYS HA 1 20 CYS HB3 2.400 . 3.100 2.399 2.219 2.591 . 0 0 "[ . 1 . 2]" 1
933 1 20 CYS HB3 1 24 LEU QD 2.400 . 3.100 2.009 1.420 2.392 0.380 15 0 "[ . 1 . 2]" 1
934 1 20 CYS HB3 1 24 LEU HG 3.400 . 4.900 3.033 2.074 4.998 0.098 6 0 "[ . 1 . 2]" 1
935 1 20 CYS HB3 1 78 TYR QB 2.400 . 3.100 2.627 2.131 3.224 0.124 15 0 "[ . 1 . 2]" 1
936 1 21 ASP HA 1 21 ASP HB2 2.400 . 3.100 2.660 2.353 3.019 . 0 0 "[ . 1 . 2]" 1
937 1 21 ASP HA 1 21 ASP HB3 2.500 . 3.300 2.749 2.408 3.025 . 0 0 "[ . 1 . 2]" 1
938 1 20 CYS HA 1 21 ASP H 3.200 . 4.500 3.541 3.475 3.604 . 0 0 "[ . 1 . 2]" 1
939 1 20 CYS HB3 1 21 ASP H 2.800 . 3.700 3.693 3.461 3.811 0.111 15 0 "[ . 1 . 2]" 1
940 1 21 ASP H 1 78 TYR HB2 2.800 . 3.800 3.639 3.071 3.897 0.097 20 0 "[ . 1 . 2]" 1
941 1 22 ASN HA 1 22 ASN HB2 2.300 . 3.000 2.504 2.450 2.571 . 0 0 "[ . 1 . 2]" 1
942 1 22 ASN HA 1 22 ASN HB3 2.300 . 3.000 3.022 3.013 3.028 0.028 12 0 "[ . 1 . 2]" 1
943 1 22 ASN HB3 1 23 ILE HA 3.400 . 4.900 4.040 3.911 4.167 . 0 0 "[ . 1 . 2]" 1
944 1 22 ASN HB3 1 23 ILE HB 3.400 . 4.900 4.615 4.448 4.813 . 0 0 "[ . 1 . 2]" 1
945 1 22 ASN HB3 1 23 ILE HG12 3.500 . 5.000 4.172 3.248 4.448 . 0 0 "[ . 1 . 2]" 1
946 1 22 ASN HB2 1 22 ASN HD21 2.900 . 3.900 2.699 2.170 3.454 . 0 0 "[ . 1 . 2]" 1
947 1 21 ASP HB2 1 22 ASN H 3.200 . 4.500 3.574 2.462 4.363 . 0 0 "[ . 1 . 2]" 1
948 1 22 ASN H 1 22 ASN HB2 2.300 . 3.000 2.719 2.574 2.983 . 0 0 "[ . 1 . 2]" 1
949 1 23 ILE HA 1 23 ILE MD 2.800 . 3.800 3.676 1.939 3.786 . 0 0 "[ . 1 . 2]" 1
950 1 23 ILE HA 1 23 ILE HG13 2.800 . 3.800 2.985 2.899 3.678 . 0 0 "[ . 1 . 2]" 1
951 1 23 ILE HA 1 23 ILE HG12 2.700 . 3.600 2.435 2.362 2.986 . 0 0 "[ . 1 . 2]" 1
952 1 23 ILE HA 1 23 ILE MG 2.400 . 3.100 2.488 2.449 2.529 . 0 0 "[ . 1 . 2]" 1
953 1 23 ILE HA 1 26 THR MG 2.300 . 3.000 2.801 2.585 2.997 . 0 0 "[ . 1 . 2]" 1
954 1 23 ILE HA 1 23 ILE HB 2.400 . 3.100 3.017 3.012 3.021 . 0 0 "[ . 1 . 2]" 1
955 1 23 ILE HB 1 23 ILE MG 2.200 . 2.800 2.130 2.124 2.135 . 0 0 "[ . 1 . 2]" 1
956 1 18 VAL QG 1 23 ILE MD 2.400 . 3.100 1.793 1.665 3.087 0.035 5 0 "[ . 1 . 2]" 1
957 1 23 ILE MD 1 23 ILE HG12 2.400 . 3.100 2.116 2.111 2.119 . 0 0 "[ . 1 . 2]" 1
958 1 22 ASN HB3 1 23 ILE HG13 3.200 . 4.500 3.148 2.914 5.004 0.504 2 1 "[ + . 1 . 2]" 1
959 1 23 ILE MD 1 23 ILE HG13 2.100 . 2.700 2.118 2.117 2.120 . 0 0 "[ . 1 . 2]" 1
960 1 23 ILE HB 1 23 ILE HG12 2.500 . 3.300 2.998 2.458 3.031 . 0 0 "[ . 1 . 2]" 1
961 1 23 ILE H 1 23 ILE MD 3.200 . 4.500 3.629 3.265 3.709 . 0 0 "[ . 1 . 2]" 1
962 1 23 ILE H 1 23 ILE HG12 2.900 . 3.900 3.363 2.171 3.499 . 0 0 "[ . 1 . 2]" 1
963 1 23 ILE H 1 24 LEU HA 4.000 . 6.000 5.339 5.202 5.452 . 0 0 "[ . 1 . 2]" 1
964 1 24 LEU HA 1 24 LEU QD 2.700 . 3.100 2.125 1.832 2.295 . 0 0 "[ . 1 . 2]" 1
965 1 24 LEU HA 1 29 PHE HA 3.200 . 6.000 4.965 4.796 5.158 . 0 0 "[ . 1 . 2]" 1
966 1 24 LEU HA 1 24 LEU QB 2.300 . 3.000 2.356 2.247 2.494 . 0 0 "[ . 1 . 2]" 1
967 1 24 LEU QB 1 24 LEU HG 2.500 . 3.300 2.310 2.213 2.346 . 0 0 "[ . 1 . 2]" 1
968 1 24 LEU QB 1 25 SER HA 3.500 . 5.000 3.966 3.883 4.040 . 0 0 "[ . 1 . 2]" 1
969 1 24 LEU HB3 1 31 CYS HA 2.700 . 3.600 3.045 2.596 3.331 . 0 0 "[ . 1 . 2]" 1
970 1 24 LEU QD 1 29 PHE QB 3.000 . 3.400 2.783 2.457 3.179 . 0 0 "[ . 1 . 2]" 1
971 1 24 LEU QD 1 34 LYS HA 3.500 . 5.100 3.862 3.488 4.315 . 0 0 "[ . 1 . 2]" 1
972 1 24 LEU QB 1 24 LEU QD 2.600 . 3.400 1.962 1.934 1.978 . 0 0 "[ . 1 . 2]" 1
973 1 24 LEU QD 1 31 CYS HA 3.600 . 5.200 3.886 3.213 4.194 . 0 0 "[ . 1 . 2]" 1
974 1 24 LEU QD 1 35 ASN HB3 2.700 . 3.600 2.511 2.193 2.897 . 0 0 "[ . 1 . 2]" 1
975 1 24 LEU QD 1 35 ASN HB2 2.700 . 3.600 2.995 2.508 3.530 . 0 0 "[ . 1 . 2]" 1
976 1 24 LEU QD 1 69 CYS HB3 2.800 . 3.800 2.055 1.821 2.562 . 0 0 "[ . 1 . 2]" 1
977 1 24 LEU HA 1 24 LEU HG 2.600 . 3.500 3.189 2.469 3.543 0.043 7 0 "[ . 1 . 2]" 1
978 1 23 ILE HG12 1 24 LEU H 3.700 . 5.400 5.027 4.324 5.157 . 0 0 "[ . 1 . 2]" 1
979 1 24 LEU H 1 24 LEU HA 2.700 . 3.600 2.879 2.841 2.904 . 0 0 "[ . 1 . 2]" 1
980 1 24 LEU H 1 24 LEU HB2 2.400 . 3.100 2.517 2.124 2.830 . 0 0 "[ . 1 . 2]" 1
981 1 24 LEU H 1 24 LEU QD 2.900 . 3.600 2.857 2.443 3.125 . 0 0 "[ . 1 . 2]" 1
982 1 24 LEU H 1 24 LEU HG 3.000 . 4.100 2.740 2.245 4.265 0.165 14 0 "[ . 1 . 2]" 1
983 1 25 SER HA 1 25 SER QB 2.000 . 2.500 2.311 2.174 2.449 . 0 0 "[ . 1 . 2]" 1
984 1 24 LEU HA 1 25 SER H 2.500 . 3.300 3.358 3.323 3.406 0.106 12 0 "[ . 1 . 2]" 1
985 1 25 SER H 1 25 SER QB 2.400 . 3.100 2.514 2.276 2.880 . 0 0 "[ . 1 . 2]" 1
986 1 25 SER H 1 26 THR MG 2.900 . 3.900 3.546 3.387 3.690 . 0 0 "[ . 1 . 2]" 1
987 1 26 THR HB 1 26 THR MG 1.900 . 2.300 2.133 2.129 2.136 . 0 0 "[ . 1 . 2]" 1
988 1 26 THR HB 1 28 LEU HB3 3.100 . 4.300 3.691 3.323 4.229 . 0 0 "[ . 1 . 2]" 1
989 1 26 THR HA 1 26 THR MG 2.200 . 2.800 2.361 2.334 2.383 . 0 0 "[ . 1 . 2]" 1
990 1 23 ILE HA 1 26 THR H 3.300 . 4.600 4.077 3.863 4.248 . 0 0 "[ . 1 . 2]" 1
991 1 25 SER QB 1 26 THR H 3.300 . 4.600 3.484 3.095 3.912 . 0 0 "[ . 1 . 2]" 1
992 1 26 THR H 1 26 THR HA 2.600 . 3.500 2.871 2.848 2.906 . 0 0 "[ . 1 . 2]" 1
993 1 26 THR H 1 26 THR MG 2.200 . 2.800 2.298 2.220 2.430 . 0 0 "[ . 1 . 2]" 1
994 1 27 ASN HA 1 27 ASN HB3 2.300 . 6.000 2.998 2.495 3.030 . 0 0 "[ . 1 . 2]" 1
995 1 27 ASN HA 1 30 HIS QB 3.700 . 4.500 3.147 2.497 4.285 . 0 0 "[ . 1 . 2]" 1
996 1 26 THR HA 1 27 ASN HB3 3.100 . 6.000 5.100 4.923 5.733 . 0 0 "[ . 1 . 2]" 1
997 1 26 THR HB 1 27 ASN HB3 3.700 . 5.400 4.346 3.980 5.467 0.067 3 0 "[ . 1 . 2]" 1
998 1 27 ASN HA 1 27 ASN HB2 2.100 . 2.600 2.537 2.440 3.027 0.427 3 0 "[ . 1 . 2]" 1
999 1 27 ASN HB3 1 27 ASN HD21 2.700 . 3.600 2.725 2.178 3.539 . 0 0 "[ . 1 . 2]" 1
1000 1 26 THR HB 1 27 ASN H 2.600 . 3.400 2.240 1.917 2.388 . 0 0 "[ . 1 . 2]" 1
1001 1 26 THR MG 1 27 ASN H 2.700 . 3.600 3.628 3.552 3.672 0.072 9 0 "[ . 1 . 2]" 1
1002 1 27 ASN H 1 27 ASN HA 2.300 . 3.000 2.857 2.797 2.906 . 0 0 "[ . 1 . 2]" 1
1003 1 27 ASN H 1 27 ASN HB2 2.400 . 3.100 2.487 2.288 2.621 . 0 0 "[ . 1 . 2]" 1
1004 1 28 LEU HA 1 28 LEU HB2 2.400 . 3.100 2.464 2.432 2.514 . 0 0 "[ . 1 . 2]" 1
1005 1 28 LEU HA 1 28 LEU HB3 2.600 . 3.500 3.020 3.016 3.027 . 0 0 "[ . 1 . 2]" 1
1006 1 28 LEU HA 1 28 LEU MD1 2.100 . 2.700 2.101 1.990 2.163 . 0 0 "[ . 1 . 2]" 1
1007 1 28 LEU HB2 1 28 LEU MD1 2.300 . 3.000 2.346 2.308 2.412 . 0 0 "[ . 1 . 2]" 1
1008 1 28 LEU HB2 1 28 LEU MD2 2.300 . 3.000 2.408 2.345 2.443 . 0 0 "[ . 1 . 2]" 1
1009 1 9 LYS HG2 1 28 LEU MD1 3.100 . 4.300 4.331 3.948 5.210 0.910 1 1 "[+ . 1 . 2]" 1
1010 1 10 LYS HB2 1 28 LEU MD1 3.400 . 4.800 4.714 3.951 4.852 0.052 7 0 "[ . 1 . 2]" 1
1011 1 10 LYS HG3 1 28 LEU MD1 3.200 . 4.500 2.727 2.363 4.513 0.013 16 0 "[ . 1 . 2]" 1
1012 1 9 LYS HA 1 28 LEU MD2 3.800 . 5.600 3.577 3.386 4.042 . 0 0 "[ . 1 . 2]" 1
1013 1 9 LYS HB2 1 28 LEU MD2 3.100 . 4.300 2.630 2.235 3.141 . 0 0 "[ . 1 . 2]" 1
1014 1 9 LYS QD 1 28 LEU MD2 2.900 . 4.000 3.249 2.734 3.995 . 0 0 "[ . 1 . 2]" 1
1015 1 9 LYS HG3 1 28 LEU MD2 3.500 . 5.000 4.314 3.461 4.753 . 0 0 "[ . 1 . 2]" 1
1016 1 28 LEU HA 1 28 LEU MD2 3.000 . 4.100 3.893 3.865 3.914 . 0 0 "[ . 1 . 2]" 1
1017 1 28 LEU HB3 1 28 LEU MD2 2.600 . 3.400 2.286 2.235 2.346 . 0 0 "[ . 1 . 2]" 1
1018 1 28 LEU MD2 1 28 LEU HG 2.200 . 2.800 2.126 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
1019 1 28 LEU HB2 1 28 LEU HG 2.400 . 3.100 3.019 3.013 3.023 . 0 0 "[ . 1 . 2]" 1
1020 1 28 LEU HB3 1 28 LEU HG 2.400 . 3.100 2.493 2.448 2.531 . 0 0 "[ . 1 . 2]" 1
1021 1 26 THR HB 1 28 LEU H 3.200 . 4.500 2.626 2.382 2.978 . 0 0 "[ . 1 . 2]" 1
1022 1 27 ASN HA 1 28 LEU H 2.900 . 4.000 3.307 2.920 3.415 . 0 0 "[ . 1 . 2]" 1
1023 1 27 ASN HB2 1 28 LEU H 3.100 . 4.300 4.149 3.954 4.409 0.109 7 0 "[ . 1 . 2]" 1
1024 1 28 LEU H 1 28 LEU MD1 3.000 . 4.100 4.117 4.011 4.267 0.167 3 0 "[ . 1 . 2]" 1
1025 1 28 LEU H 1 30 HIS QB 4.100 . 6.000 5.188 4.935 5.481 . 0 0 "[ . 1 . 2]" 1
1026 1 24 LEU HA 1 29 PHE HB2 2.200 . 2.800 2.182 1.972 2.335 . 0 0 "[ . 1 . 2]" 1
1027 1 24 LEU HB3 1 29 PHE QB 3.100 . 4.300 2.882 2.506 3.303 . 0 0 "[ . 1 . 2]" 1
1028 1 29 PHE HA 1 29 PHE QB 2.300 . 2.900 2.363 2.341 2.410 . 0 0 "[ . 1 . 2]" 1
1029 1 29 PHE HB3 1 32 LYS HG3 3.400 . 4.900 4.546 3.984 4.931 0.031 5 0 "[ . 1 . 2]" 1
1030 1 23 ILE MG 1 29 PHE QD 2.400 . 3.100 3.068 2.825 3.158 0.058 3 0 "[ . 1 . 2]" 1
1031 1 27 ASN HA 1 29 PHE H 3.000 . 4.100 3.695 3.390 4.033 . 0 0 "[ . 1 . 2]" 1
1032 1 28 LEU HA 1 29 PHE H 2.900 . 4.000 3.446 3.363 3.521 . 0 0 "[ . 1 . 2]" 1
1033 1 28 LEU HB2 1 29 PHE H 3.100 . 4.300 4.078 3.858 4.237 . 0 0 "[ . 1 . 2]" 1
1034 1 28 LEU HB3 1 29 PHE H 2.700 . 3.600 3.017 2.640 3.332 . 0 0 "[ . 1 . 2]" 1
1035 1 28 LEU MD1 1 29 PHE H 3.100 . 6.000 4.655 4.520 4.782 . 0 0 "[ . 1 . 2]" 1
1036 1 29 PHE H 1 29 PHE HA 2.400 . 3.100 2.942 2.931 2.953 . 0 0 "[ . 1 . 2]" 1
1037 1 29 PHE H 1 29 PHE HB2 2.400 . 3.100 2.707 2.562 2.859 . 0 0 "[ . 1 . 2]" 1
1038 1 29 PHE H 1 30 HIS QB 3.600 . 5.100 4.000 3.712 4.425 . 0 0 "[ . 1 . 2]" 1
1039 1 30 HIS HA 1 30 HIS QB 2.400 . 2.800 2.338 2.154 2.487 . 0 0 "[ . 1 . 2]" 1
1040 1 29 PHE HA 1 30 HIS H 3.000 . 4.100 3.489 3.421 3.534 . 0 0 "[ . 1 . 2]" 1
1041 1 30 HIS H 1 30 HIS HA 2.000 . 2.500 2.253 2.232 2.269 . 0 0 "[ . 1 . 2]" 1
1042 1 30 HIS H 1 30 HIS QB 2.900 . 4.000 2.977 2.859 3.405 . 0 0 "[ . 1 . 2]" 1
1043 1 31 CYS HA 1 31 CYS HB2 2.600 . 3.400 2.903 2.533 3.031 . 0 0 "[ . 1 . 2]" 1
1044 1 31 CYS HA 1 31 CYS HB3 2.600 . 3.400 2.416 2.296 2.625 . 0 0 "[ . 1 . 2]" 1
1045 1 31 CYS HB3 1 76 CYS HB3 3.100 . 4.300 3.394 2.159 4.196 . 0 0 "[ . 1 . 2]" 1
1046 1 31 CYS HB3 1 76 CYS HB2 2.900 . 3.900 2.649 1.975 4.096 0.196 11 0 "[ . 1 . 2]" 1
1047 1 25 SER QB 1 31 CYS H 3.700 . 5.400 5.124 4.464 5.441 0.041 9 0 "[ . 1 . 2]" 1
1048 1 31 CYS H 1 31 CYS HB3 3.300 . 4.600 3.770 3.020 4.032 . 0 0 "[ . 1 . 2]" 1
1049 1 32 LYS HA 1 32 LYS HG3 3.200 . 4.500 4.009 3.785 4.245 . 0 0 "[ . 1 . 2]" 1
1050 1 32 LYS HA 1 32 LYS HG2 3.100 . 4.300 3.672 3.596 3.745 . 0 0 "[ . 1 . 2]" 1
1051 1 32 LYS HA 1 32 LYS HB2 2.400 . 3.100 2.389 2.315 2.501 . 0 0 "[ . 1 . 2]" 1
1052 1 32 LYS HB2 1 32 LYS HG3 2.800 . 3.800 2.329 2.246 2.410 . 0 0 "[ . 1 . 2]" 1
1053 1 32 LYS HB2 1 32 LYS HG2 2.800 . 3.800 2.801 2.455 3.010 . 0 0 "[ . 1 . 2]" 1
1054 1 32 LYS HA 1 32 LYS HB3 2.100 . 2.700 2.511 2.406 2.610 . 0 0 "[ . 1 . 2]" 1
1055 1 29 PHE HA 1 32 LYS HD2 3.300 . 4.700 3.588 2.861 4.775 0.075 15 0 "[ . 1 . 2]" 1
1056 1 32 LYS HD2 1 32 LYS HG3 2.800 . 3.800 2.697 2.259 3.018 . 0 0 "[ . 1 . 2]" 1
1057 1 32 LYS HD2 1 32 LYS HG2 2.800 . 3.800 2.578 2.382 2.996 . 0 0 "[ . 1 . 2]" 1
1058 1 32 LYS HE2 1 32 LYS HG3 3.200 . 4.500 3.178 2.477 4.172 . 0 0 "[ . 1 . 2]" 1
1059 1 32 LYS HE2 1 32 LYS HG2 3.200 . 4.400 3.506 2.654 4.216 . 0 0 "[ . 1 . 2]" 1
1060 1 32 LYS HD2 1 32 LYS HE3 3.000 . 4.100 2.595 2.310 3.008 . 0 0 "[ . 1 . 2]" 1
1061 1 32 LYS HE3 1 32 LYS HG2 3.000 . 4.100 3.535 2.630 4.252 0.152 19 0 "[ . 1 . 2]" 1
1062 1 32 LYS HG2 1 34 LYS HA 3.300 . 4.600 4.218 3.201 4.689 0.089 4 0 "[ . 1 . 2]" 1
1063 1 31 CYS HA 1 32 LYS H 2.500 . 3.300 2.464 2.258 2.643 . 0 0 "[ . 1 . 2]" 1
1064 1 31 CYS HB2 1 32 LYS H 3.600 . 5.200 4.397 4.121 4.569 . 0 0 "[ . 1 . 2]" 1
1065 1 31 CYS HB3 1 32 LYS H 3.500 . 5.000 4.383 4.147 4.657 . 0 0 "[ . 1 . 2]" 1
1066 1 32 LYS H 1 32 LYS HA 2.400 . 3.100 2.860 2.815 2.877 . 0 0 "[ . 1 . 2]" 1
1067 1 32 LYS H 1 32 LYS HB2 2.700 . 3.600 3.595 3.550 3.618 0.018 16 0 "[ . 1 . 2]" 1
1068 1 32 LYS H 1 32 LYS HD2 3.400 . 4.900 3.479 2.724 4.074 . 0 0 "[ . 1 . 2]" 1
1069 1 32 LYS H 1 32 LYS HD3 3.200 . 4.500 3.424 1.776 4.601 0.124 14 0 "[ . 1 . 2]" 1
1070 1 32 LYS H 1 32 LYS HG3 2.800 . 3.800 3.689 3.146 4.056 0.256 3 0 "[ . 1 . 2]" 1
1071 1 33 ASP HA 1 71 VAL QG 2.300 . 3.000 2.568 2.154 2.904 . 0 0 "[ . 1 . 2]" 1
1072 1 33 ASP HB2 1 71 VAL QG 2.300 . 6.000 4.177 2.797 4.824 . 0 0 "[ . 1 . 2]" 1
1073 1 32 LYS HG3 1 33 ASP H 3.300 . 4.700 3.579 3.047 4.217 . 0 0 "[ . 1 . 2]" 1
1074 1 33 ASP H 1 33 ASP HA 2.400 . 3.100 2.811 2.725 2.873 . 0 0 "[ . 1 . 2]" 1
1075 1 33 ASP H 1 33 ASP HB2 2.400 . 3.100 2.567 2.387 3.616 0.516 9 1 "[ . +1 . 2]" 1
1076 1 33 ASP HA 1 34 LYS HA 3.700 . 5.400 4.576 4.523 4.616 . 0 0 "[ . 1 . 2]" 1
1077 1 34 LYS HA 1 34 LYS QB 2.500 . 3.200 2.193 2.143 2.358 . 0 0 "[ . 1 . 2]" 1
1078 1 34 LYS HA 1 69 CYS HB2 3.700 . 5.400 4.502 4.083 5.890 0.490 5 0 "[ . 1 . 2]" 1
1079 1 34 LYS HA 1 69 CYS HB3 3.900 . 5.800 4.771 4.334 5.170 . 0 0 "[ . 1 . 2]" 1
1080 1 34 LYS QB 1 70 ASN HA 2.900 . 4.000 2.433 1.844 3.167 . 0 0 "[ . 1 . 2]" 1
1081 1 34 LYS HA 1 34 LYS QG 2.800 . 3.800 3.262 2.534 3.480 . 0 0 "[ . 1 . 2]" 1
1082 1 34 LYS QB 1 34 LYS QG 2.100 . 2.600 2.023 1.997 2.074 . 0 0 "[ . 1 . 2]" 1
1083 1 34 LYS QG 1 70 ASN HA 3.100 . 4.300 3.957 2.059 4.444 0.144 6 0 "[ . 1 . 2]" 1
1084 1 32 LYS HA 1 34 LYS H 3.400 . 4.800 4.843 4.479 4.954 0.154 4 0 "[ . 1 . 2]" 1
1085 1 32 LYS HG3 1 34 LYS H 3.000 . 4.100 2.976 2.349 3.832 . 0 0 "[ . 1 . 2]" 1
1086 1 33 ASP HB2 1 34 LYS H 2.900 . 3.900 2.888 2.141 3.865 . 0 0 "[ . 1 . 2]" 1
1087 1 34 LYS H 1 34 LYS HA 2.700 . 3.600 2.895 2.845 2.934 . 0 0 "[ . 1 . 2]" 1
1088 1 24 LEU QD 1 35 ASN HA 3.300 . 6.000 4.604 4.196 5.060 . 0 0 "[ . 1 . 2]" 1
1089 1 32 LYS HG3 1 35 ASN HA 3.400 . 4.900 4.404 3.864 4.928 0.028 1 0 "[ . 1 . 2]" 1
1090 1 32 LYS HG2 1 35 ASN HA 3.600 . 5.200 5.083 4.512 5.333 0.133 2 0 "[ . 1 . 2]" 1
1091 1 35 ASN HA 1 35 ASN HB3 2.500 . 3.300 3.023 3.011 3.041 . 0 0 "[ . 1 . 2]" 1
1092 1 35 ASN HA 1 35 ASN HB2 2.700 . 3.600 2.531 2.480 2.593 . 0 0 "[ . 1 . 2]" 1
1093 1 32 LYS HD2 1 35 ASN HB2 2.500 . 3.300 2.998 1.825 3.601 0.301 16 0 "[ . 1 . 2]" 1
1094 1 35 ASN HB3 1 35 ASN HD21 2.800 . 3.800 2.224 2.194 2.283 . 0 0 "[ . 1 . 2]" 1
1095 1 35 ASN HB2 1 35 ASN HD21 2.600 . 3.400 3.352 2.944 3.480 0.080 14 0 "[ . 1 . 2]" 1
1096 1 24 LEU QD 1 35 ASN H 3.400 . 4.900 3.712 3.271 4.403 . 0 0 "[ . 1 . 2]" 1
1097 1 34 LYS QG 1 35 ASN H 3.100 . 4.300 3.779 2.383 4.390 0.090 14 0 "[ . 1 . 2]" 1
1098 1 35 ASN H 1 35 ASN HB3 2.900 . 3.900 3.023 2.905 3.131 . 0 0 "[ . 1 . 2]" 1
1099 1 35 ASN H 1 35 ASN HB2 2.900 . 3.900 3.302 3.119 3.441 . 0 0 "[ . 1 . 2]" 1
1100 1 35 ASN H 1 68 ASP QB 4.000 . 6.000 5.168 4.467 5.753 . 0 0 "[ . 1 . 2]" 1
1101 1 35 ASN H 1 69 CYS HB3 3.500 . 5.000 4.218 2.861 4.955 . 0 0 "[ . 1 . 2]" 1
1102 1 35 ASN H 1 70 ASN HA 3.300 . 4.600 3.710 3.561 3.935 . 0 0 "[ . 1 . 2]" 1
1103 1 36 THR HA 1 36 THR MG 2.400 . 3.100 2.323 2.280 2.375 . 0 0 "[ . 1 . 2]" 1
1104 1 36 THR HA 1 36 THR HB 2.800 . 3.800 3.023 3.018 3.029 . 0 0 "[ . 1 . 2]" 1
1105 1 36 THR HB 1 36 THR MG 2.100 . 2.700 2.136 2.134 2.139 . 0 0 "[ . 1 . 2]" 1
1106 1 36 THR H 1 36 THR HA 3.000 . 4.100 2.913 2.882 2.943 . 0 0 "[ . 1 . 2]" 1
1107 1 37 PHE HA 1 38 ILE HB 3.100 . 6.000 4.605 4.530 4.652 . 0 0 "[ . 1 . 2]" 1
1108 1 37 PHE HA 1 38 ILE MD 3.200 . 4.500 4.549 4.518 4.578 0.078 14 0 "[ . 1 . 2]" 1
1109 1 13 THR HB 1 37 PHE HB2 3.100 . 4.300 3.944 3.772 4.212 . 0 0 "[ . 1 . 2]" 1
1110 1 13 THR MG 1 37 PHE HB2 2.700 . 3.600 2.774 2.634 2.952 . 0 0 "[ . 1 . 2]" 1
1111 1 37 PHE HB2 1 67 SER HB2 2.800 . 3.800 2.306 1.974 2.537 . 0 0 "[ . 1 . 2]" 1
1112 1 13 THR HA 1 37 PHE HB3 3.400 . 4.900 4.858 4.754 4.961 0.061 20 0 "[ . 1 . 2]" 1
1113 1 13 THR MG 1 37 PHE HB3 2.300 . 3.000 2.112 1.991 2.366 . 0 0 "[ . 1 . 2]" 1
1114 1 18 VAL QG 1 37 PHE HB3 2.800 . 3.800 3.297 3.167 3.429 . 0 0 "[ . 1 . 2]" 1
1115 1 37 PHE HB3 1 67 SER HB2 3.300 . 4.600 3.792 3.500 3.958 . 0 0 "[ . 1 . 2]" 1
1116 1 11 HIS HA 1 37 PHE QD 3.100 . 4.300 3.274 3.112 3.470 . 0 0 "[ . 1 . 2]" 1
1117 1 12 ILE HA 1 37 PHE QD 3.800 . 5.600 4.807 4.610 5.119 . 0 0 "[ . 1 . 2]" 1
1118 1 18 VAL QG 1 37 PHE QD 2.900 . 3.500 2.427 2.203 2.619 . 0 0 "[ . 1 . 2]" 1
1119 1 18 VAL QG 1 37 PHE QE 2.700 . 3.600 2.873 2.628 3.055 . 0 0 "[ . 1 . 2]" 1
1120 1 23 ILE MG 1 37 PHE QE 2.400 . 3.100 2.920 2.451 3.130 0.030 8 0 "[ . 1 . 2]" 1
1121 1 24 LEU QD 1 37 PHE QE 2.600 . 3.400 2.077 1.915 2.436 . 0 0 "[ . 1 . 2]" 1
1122 1 37 PHE QE 1 69 CYS HB3 3.800 . 5.600 3.652 2.681 4.027 . 0 0 "[ . 1 . 2]" 1
1123 1 36 THR HA 1 37 PHE H 2.200 . 2.800 2.150 2.130 2.165 . 0 0 "[ . 1 . 2]" 1
1124 1 36 THR HB 1 37 PHE H 3.800 . 5.600 4.252 4.142 4.334 . 0 0 "[ . 1 . 2]" 1
1125 1 36 THR MG 1 37 PHE H 2.500 . 3.300 2.981 2.785 3.107 . 0 0 "[ . 1 . 2]" 1
1126 1 23 ILE MG 1 37 PHE HZ 2.700 . 3.600 2.777 2.039 3.085 . 0 0 "[ . 1 . 2]" 1
1127 1 24 LEU QD 1 37 PHE HZ 2.900 . 3.800 1.816 1.740 2.060 0.060 10 0 "[ . 1 . 2]" 1
1128 1 38 ILE HA 1 38 ILE MD 3.200 . 4.500 3.904 3.886 3.926 . 0 0 "[ . 1 . 2]" 1
1129 1 38 ILE HA 1 38 ILE HG13 3.100 . 4.300 2.953 2.904 3.010 . 0 0 "[ . 1 . 2]" 1
1130 1 38 ILE HA 1 66 LEU MD2 2.300 . 2.900 2.256 2.128 2.396 . 0 0 "[ . 1 . 2]" 1
1131 1 12 ILE HA 1 38 ILE HB 2.600 . 3.500 3.044 2.882 3.204 . 0 0 "[ . 1 . 2]" 1
1132 1 38 ILE HA 1 38 ILE HB 2.900 . 4.000 3.027 3.024 3.029 . 0 0 "[ . 1 . 2]" 1
1133 1 38 ILE HB 1 38 ILE MD 2.200 . 2.800 2.354 2.329 2.382 . 0 0 "[ . 1 . 2]" 1
1134 1 38 ILE HB 1 38 ILE HG12 3.000 . 4.100 3.020 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
1135 1 38 ILE HB 1 38 ILE MG 2.100 . 2.700 2.129 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
1136 1 38 ILE HB 1 40 SER HB3 3.800 . 5.600 4.434 3.806 5.622 0.022 15 0 "[ . 1 . 2]" 1
1137 1 11 HIS HB3 1 38 ILE MD 2.900 . 4.000 2.467 2.210 2.695 . 0 0 "[ . 1 . 2]" 1
1138 1 12 ILE HA 1 38 ILE MD 3.400 . 4.800 4.140 3.967 4.346 . 0 0 "[ . 1 . 2]" 1
1139 1 12 ILE MD 1 38 ILE MD 3.100 . 4.300 2.861 2.542 4.318 0.018 11 0 "[ . 1 . 2]" 1
1140 1 38 ILE MD 1 38 ILE MG 2.200 . 2.800 2.068 2.021 2.134 . 0 0 "[ . 1 . 2]" 1
1141 1 38 ILE MD 1 45 VAL MG1 2.300 . 3.000 2.668 2.476 2.925 . 0 0 "[ . 1 . 2]" 1
1142 1 38 ILE MD 1 45 VAL MG2 2.600 . 3.400 3.112 2.859 3.399 . 0 0 "[ . 1 . 2]" 1
1143 1 38 ILE HB 1 38 ILE HG13 2.400 . 3.100 2.545 2.524 2.564 . 0 0 "[ . 1 . 2]" 1
1144 1 38 ILE HA 1 38 ILE HG12 2.800 . 3.800 2.692 2.644 2.733 . 0 0 "[ . 1 . 2]" 1
1145 1 38 ILE MD 1 38 ILE HG12 2.200 . 2.800 2.117 2.114 2.120 . 0 0 "[ . 1 . 2]" 1
1146 1 38 ILE HG12 1 38 ILE MG 2.300 . 3.000 2.304 2.283 2.339 . 0 0 "[ . 1 . 2]" 1
1147 1 38 ILE HG12 1 66 LEU MD2 2.400 . 3.100 2.094 1.934 2.322 . 0 0 "[ . 1 . 2]" 1
1148 1 12 ILE HA 1 38 ILE MG 3.400 . 4.800 4.300 4.089 4.465 . 0 0 "[ . 1 . 2]" 1
1149 1 38 ILE HA 1 38 ILE MG 2.400 . 3.100 2.388 2.350 2.442 . 0 0 "[ . 1 . 2]" 1
1150 1 38 ILE MG 1 40 SER HB2 2.600 . 3.500 2.531 1.900 2.870 . 0 0 "[ . 1 . 2]" 1
1151 1 38 ILE MG 1 45 VAL MG2 2.100 . 2.600 2.452 2.336 2.579 . 0 0 "[ . 1 . 2]" 1
1152 1 38 ILE MG 1 64 PHE HB2 2.700 . 3.600 3.110 2.937 3.323 . 0 0 "[ . 1 . 2]" 1
1153 1 11 HIS HB2 1 38 ILE H 3.700 . 5.400 4.959 4.759 5.218 . 0 0 "[ . 1 . 2]" 1
1154 1 12 ILE HA 1 38 ILE H 2.700 . 3.600 3.301 3.105 3.488 . 0 0 "[ . 1 . 2]" 1
1155 1 13 THR HB 1 38 ILE H 4.000 . 6.000 4.317 4.066 4.597 . 0 0 "[ . 1 . 2]" 1
1156 1 13 THR MG 1 38 ILE H 3.100 . 4.300 2.902 2.694 3.143 . 0 0 "[ . 1 . 2]" 1
1157 1 38 ILE H 1 38 ILE HA 2.700 . 3.600 2.945 2.939 2.950 . 0 0 "[ . 1 . 2]" 1
1158 1 38 ILE H 1 38 ILE HB 2.500 . 3.300 2.597 2.554 2.643 . 0 0 "[ . 1 . 2]" 1
1159 1 38 ILE H 1 38 ILE MD 2.800 . 3.800 3.709 3.599 3.807 0.007 12 0 "[ . 1 . 2]" 1
1160 1 38 ILE H 1 38 ILE HG12 3.200 . 4.500 3.896 3.779 3.982 . 0 0 "[ . 1 . 2]" 1
1161 1 38 ILE H 1 38 ILE MG 3.000 . 4.100 3.833 3.813 3.852 . 0 0 "[ . 1 . 2]" 1
1162 1 13 THR MG 1 39 TYR HB2 3.000 . 4.100 2.968 2.842 3.159 . 0 0 "[ . 1 . 2]" 1
1163 1 38 ILE HA 1 39 TYR HB2 3.500 . 5.000 4.792 4.679 4.866 . 0 0 "[ . 1 . 2]" 1
1164 1 39 TYR HA 1 39 TYR HB2 2.700 . 3.600 2.416 2.397 2.430 . 0 0 "[ . 1 . 2]" 1
1165 1 38 ILE HA 1 39 TYR HB3 3.400 . 4.800 4.565 4.480 4.621 . 0 0 "[ . 1 . 2]" 1
1166 1 39 TYR HA 1 39 TYR HB3 2.500 . 3.300 3.025 3.021 3.029 . 0 0 "[ . 1 . 2]" 1
1167 1 13 THR MG 1 39 TYR H 3.400 . 4.800 3.478 3.268 3.596 . 0 0 "[ . 1 . 2]" 1
1168 1 38 ILE HA 1 39 TYR H 2.200 . 2.800 2.164 2.135 2.188 . 0 0 "[ . 1 . 2]" 1
1169 1 38 ILE HB 1 39 TYR H 3.700 . 5.400 4.290 4.250 4.333 . 0 0 "[ . 1 . 2]" 1
1170 1 38 ILE MG 1 39 TYR H 2.600 . 3.400 2.983 2.899 3.039 . 0 0 "[ . 1 . 2]" 1
1171 1 39 TYR H 1 39 TYR HA 2.700 . 3.600 2.882 2.874 2.892 . 0 0 "[ . 1 . 2]" 1
1172 1 39 TYR H 1 39 TYR HB3 2.700 . 3.600 2.422 2.368 2.461 . 0 0 "[ . 1 . 2]" 1
1173 1 39 TYR H 1 66 LEU MD2 3.000 . 4.100 3.307 3.154 3.455 . 0 0 "[ . 1 . 2]" 1
1174 1 40 SER HA 1 40 SER HB2 2.500 . 3.300 2.659 2.479 3.039 . 0 0 "[ . 1 . 2]" 1
1175 1 40 SER HA 1 40 SER HB3 2.800 . 3.800 2.912 2.511 3.045 . 0 0 "[ . 1 . 2]" 1
1176 1 38 ILE MG 1 40 SER HB3 2.300 . 3.000 2.622 2.115 3.527 0.527 12 2 "[ . 1 + - 2]" 1
1177 1 40 SER HB3 1 45 VAL MG2 2.400 . 3.100 2.400 2.188 2.675 . 0 0 "[ . 1 . 2]" 1
1178 1 12 ILE MG 1 40 SER H 2.800 . 3.800 3.761 3.587 3.833 0.033 10 0 "[ . 1 . 2]" 1
1179 1 13 THR MG 1 40 SER H 3.100 . 4.300 3.695 3.521 3.832 . 0 0 "[ . 1 . 2]" 1
1180 1 39 TYR HB2 1 40 SER H 3.800 . 5.600 4.462 4.416 4.510 . 0 0 "[ . 1 . 2]" 1
1181 1 39 TYR HB3 1 40 SER H 3.400 . 4.800 4.472 4.446 4.494 . 0 0 "[ . 1 . 2]" 1
1182 1 40 SER H 1 40 SER HB2 3.200 . 4.500 3.366 3.008 3.550 . 0 0 "[ . 1 . 2]" 1
1183 1 41 ARG HA 1 41 ARG HD2 3.100 . 4.300 3.245 2.113 4.860 0.560 1 1 "[+ . 1 . 2]" 1
1184 1 41 ARG HA 1 41 ARG HG2 2.600 . 3.400 2.891 2.457 3.380 . 0 0 "[ . 1 . 2]" 1
1185 1 41 ARG HA 1 42 PRO HD3 2.100 . 2.700 2.365 1.875 2.500 . 0 0 "[ . 1 . 2]" 1
1186 1 41 ARG HA 1 42 PRO HD2 2.100 . 2.600 2.394 2.123 3.009 0.409 13 0 "[ . 1 . 2]" 1
1187 1 41 ARG HB3 1 41 ARG HD2 2.800 . 3.800 2.730 2.391 3.522 . 0 0 "[ . 1 . 2]" 1
1188 1 41 ARG HB3 1 41 ARG HD3 2.800 . 3.700 2.924 1.989 3.740 0.040 2 0 "[ . 1 . 2]" 1
1189 1 41 ARG HB3 1 41 ARG HG2 2.500 . 3.300 2.911 2.224 3.013 . 0 0 "[ . 1 . 2]" 1
1190 1 41 ARG HB2 1 41 ARG HD2 2.800 . 3.800 3.580 2.152 4.121 0.321 13 0 "[ . 1 . 2]" 1
1191 1 41 ARG HB2 1 41 ARG HD3 2.800 . 3.800 3.571 2.678 4.144 0.344 14 0 "[ . 1 . 2]" 1
1192 1 41 ARG HB2 1 42 PRO HD2 2.600 . 3.400 3.502 3.323 3.636 0.236 9 0 "[ . 1 . 2]" 1
1193 1 41 ARG HB2 1 44 PRO HD2 3.000 . 4.100 2.245 1.860 2.621 0.040 12 0 "[ . 1 . 2]" 1
1194 1 41 ARG HD2 1 41 ARG HE 2.900 . 3.900 2.774 2.252 2.943 . 0 0 "[ . 1 . 2]" 1
1195 1 41 ARG HD2 1 41 ARG HG2 2.300 . 3.000 2.898 2.375 3.014 0.014 12 0 "[ . 1 . 2]" 1
1196 1 41 ARG HD3 1 41 ARG HG2 2.300 . 2.900 2.525 2.271 2.985 0.085 13 0 "[ . 1 . 2]" 1
1197 1 41 ARG HG2 1 42 PRO HD3 2.600 . 6.000 4.846 3.544 5.428 . 0 0 "[ . 1 . 2]" 1
1198 1 14 ASN HA 1 41 ARG HH12 3.000 . 6.000 4.855 2.580 6.093 0.093 1 0 "[ . 1 . 2]" 1
1199 1 41 ARG HD2 1 41 ARG HH12 3.200 . 4.500 3.757 3.308 4.903 0.403 15 0 "[ . 1 . 2]" 1
1200 1 41 ARG HD3 1 41 ARG HH12 3.100 . 4.300 3.918 3.363 4.419 0.119 19 0 "[ . 1 . 2]" 1
1201 1 41 ARG H 1 41 ARG HD2 3.500 . 5.000 4.690 3.441 5.045 0.045 10 0 "[ . 1 . 2]" 1
1202 1 41 ARG H 1 41 ARG HD3 3.500 . 5.000 4.141 2.934 5.024 0.024 19 0 "[ . 1 . 2]" 1
1203 1 41 ARG H 1 44 PRO HD2 3.700 . 5.400 3.680 3.537 3.792 . 0 0 "[ . 1 . 2]" 1
1204 1 41 ARG H 1 44 PRO QG 3.200 . 4.500 2.479 2.294 2.689 . 0 0 "[ . 1 . 2]" 1
1205 1 12 ILE MG 1 42 PRO HA 2.800 . 3.800 3.085 2.819 3.432 . 0 0 "[ . 1 . 2]" 1
1206 1 42 PRO HA 1 42 PRO HB3 2.500 . 3.300 2.278 2.261 2.295 . 0 0 "[ . 1 . 2]" 1
1207 1 42 PRO HA 1 42 PRO HG2 2.900 . 4.000 3.895 3.854 4.059 0.059 13 0 "[ . 1 . 2]" 1
1208 1 42 PRO HA 1 45 VAL HB 2.800 . 3.800 2.758 2.656 2.884 . 0 0 "[ . 1 . 2]" 1
1209 1 42 PRO HA 1 45 VAL MG2 2.700 . 3.600 3.499 3.284 3.629 0.029 19 0 "[ . 1 . 2]" 1
1210 1 12 ILE MG 1 42 PRO HB2 3.100 . 4.300 4.156 3.952 4.543 0.243 13 0 "[ . 1 . 2]" 1
1211 1 42 PRO HB3 1 42 PRO HD3 2.600 . 3.500 3.079 2.942 3.949 0.449 13 0 "[ . 1 . 2]" 1
1212 1 12 ILE MG 1 42 PRO HD2 2.800 . 3.800 3.548 3.378 4.211 0.411 13 0 "[ . 1 . 2]" 1
1213 1 41 ARG HB3 1 42 PRO HD2 2.500 . 3.300 1.942 1.799 2.131 . 0 0 "[ . 1 . 2]" 1
1214 1 41 ARG HD2 1 42 PRO HD2 3.100 . 4.300 3.002 2.003 5.125 0.825 1 2 "[+ . 1 . -2]" 1
1215 1 42 PRO HD2 1 42 PRO HG2 2.300 . 2.900 2.298 2.262 2.316 . 0 0 "[ . 1 . 2]" 1
1216 1 42 PRO HD3 1 42 PRO HG2 2.200 . 6.000 2.964 2.737 2.990 . 0 0 "[ . 1 . 2]" 1
1217 1 42 PRO HB2 1 42 PRO HG3 2.300 . 3.000 2.697 2.663 2.935 . 0 0 "[ . 1 . 2]" 1
1218 1 42 PRO HB2 1 43 GLU HA 3.400 . 4.900 3.917 3.560 4.074 . 0 0 "[ . 1 . 2]" 1
1219 1 42 PRO HG2 1 43 GLU HA 3.500 . 5.100 4.454 4.191 5.192 0.092 13 0 "[ . 1 . 2]" 1
1220 1 43 GLU HA 1 43 GLU HG3 2.600 . 3.400 3.246 2.374 3.680 0.280 17 0 "[ . 1 . 2]" 1
1221 1 43 GLU HA 1 44 PRO HD2 3.100 . 4.300 3.791 3.724 3.994 . 0 0 "[ . 1 . 2]" 1
1222 1 43 GLU HA 1 46 LYS HA 4.000 . 6.000 5.407 5.109 5.694 . 0 0 "[ . 1 . 2]" 1
1223 1 43 GLU HA 1 46 LYS HB3 3.200 . 4.500 2.824 2.550 3.107 . 0 0 "[ . 1 . 2]" 1
1224 1 43 GLU HA 1 43 GLU HB2 2.300 . 3.000 3.006 2.986 3.020 0.020 7 0 "[ . 1 . 2]" 1
1225 1 43 GLU HB2 1 44 PRO HD2 2.300 . 3.000 2.452 2.314 2.763 . 0 0 "[ . 1 . 2]" 1
1226 1 43 GLU HA 1 43 GLU HB3 2.300 . 3.000 2.522 2.447 2.600 . 0 0 "[ . 1 . 2]" 1
1227 1 43 GLU HB3 1 43 GLU HG2 2.400 . 3.100 2.713 2.225 3.011 . 0 0 "[ . 1 . 2]" 1
1228 1 43 GLU HB3 1 43 GLU HG3 2.500 . 3.300 2.636 2.358 3.008 . 0 0 "[ . 1 . 2]" 1
1229 1 43 GLU HA 1 43 GLU HG2 2.700 . 3.600 2.899 2.439 3.560 . 0 0 "[ . 1 . 2]" 1
1230 1 43 GLU HB2 1 43 GLU HG2 2.700 . 3.600 2.637 2.360 3.011 . 0 0 "[ . 1 . 2]" 1
1231 1 43 GLU HG2 1 44 PRO HD2 3.400 . 4.900 4.453 3.799 5.225 0.325 12 0 "[ . 1 . 2]" 1
1232 1 41 ARG HB3 1 43 GLU H 3.100 . 4.300 2.601 2.303 2.914 . 0 0 "[ . 1 . 2]" 1
1233 1 41 ARG HD2 1 43 GLU H 4.000 . 6.000 4.983 4.408 6.155 0.155 13 0 "[ . 1 . 2]" 1
1234 1 41 ARG HD3 1 43 GLU H 3.900 . 5.800 5.155 4.371 6.151 0.351 14 0 "[ . 1 . 2]" 1
1235 1 41 ARG HG2 1 43 GLU H 3.700 . 5.400 5.341 4.214 5.495 0.095 4 0 "[ . 1 . 2]" 1
1236 1 42 PRO HA 1 43 GLU H 3.200 . 4.400 3.511 3.464 3.553 . 0 0 "[ . 1 . 2]" 1
1237 1 42 PRO HB2 1 43 GLU H 3.200 . 4.500 3.328 2.882 3.516 . 0 0 "[ . 1 . 2]" 1
1238 1 42 PRO HB3 1 43 GLU H 3.000 . 6.000 4.226 4.061 4.283 . 0 0 "[ . 1 . 2]" 1
1239 1 42 PRO HG2 1 43 GLU H 2.700 . 3.600 2.730 2.605 3.461 . 0 0 "[ . 1 . 2]" 1
1240 1 42 PRO HG3 1 43 GLU H 3.000 . 4.100 4.146 4.064 4.227 0.127 13 0 "[ . 1 . 2]" 1
1241 1 43 GLU H 1 43 GLU HA 2.500 . 3.300 2.833 2.807 2.846 . 0 0 "[ . 1 . 2]" 1
1242 1 43 GLU H 1 43 GLU HB3 2.600 . 3.500 3.554 3.532 3.612 0.112 9 0 "[ . 1 . 2]" 1
1243 1 43 GLU H 1 44 PRO HD2 2.600 . 3.500 2.011 1.901 2.308 . 0 0 "[ . 1 . 2]" 1
1244 1 43 GLU H 1 45 VAL MG2 3.600 . 5.200 4.844 4.717 5.016 . 0 0 "[ . 1 . 2]" 1
1245 1 43 GLU HB2 1 44 PRO HA 4.000 . 6.000 4.604 4.397 4.808 . 0 0 "[ . 1 . 2]" 1
1246 1 44 PRO HA 1 44 PRO QB 2.100 . 2.600 2.174 2.168 2.178 . 0 0 "[ . 1 . 2]" 1
1247 1 44 PRO HA 1 44 PRO HD2 3.100 . 4.300 4.055 3.882 4.082 . 0 0 "[ . 1 . 2]" 1
1248 1 44 PRO HA 1 47 ALA MB 2.200 . 2.800 2.459 2.346 2.581 . 0 0 "[ . 1 . 2]" 1
1249 1 44 PRO QB 1 44 PRO QG 2.100 . 2.600 1.966 1.944 1.974 . 0 0 "[ . 1 . 2]" 1
1250 1 44 PRO QB 1 44 PRO HG3 2.100 . 2.700 2.184 2.177 2.205 . 0 0 "[ . 1 . 2]" 1
1251 1 43 GLU HB2 1 44 PRO HD3 2.800 . 3.800 1.994 1.570 2.225 0.230 9 0 "[ . 1 . 2]" 1
1252 1 43 GLU HB3 1 44 PRO HD3 2.900 . 4.000 3.099 2.937 3.239 . 0 0 "[ . 1 . 2]" 1
1253 1 44 PRO HA 1 44 PRO HD3 2.700 . 3.600 3.460 3.418 3.524 . 0 0 "[ . 1 . 2]" 1
1254 1 44 PRO QB 1 44 PRO HD3 2.600 . 3.400 2.921 2.832 3.492 0.092 12 0 "[ . 1 . 2]" 1
1255 1 41 ARG HB3 1 44 PRO HD2 3.600 . 5.300 2.671 2.301 3.038 . 0 0 "[ . 1 . 2]" 1
1256 1 43 GLU HB3 1 44 PRO HD2 2.700 . 3.600 3.773 3.687 4.070 0.470 9 0 "[ . 1 . 2]" 1
1257 1 43 GLU HG3 1 44 PRO HD2 3.300 . 4.700 4.486 3.804 4.887 0.187 5 0 "[ . 1 . 2]" 1
1258 1 44 PRO QB 1 44 PRO HD2 3.000 . 4.100 3.473 3.009 3.527 . 0 0 "[ . 1 . 2]" 1
1259 1 41 ARG HA 1 44 PRO QG 3.000 . 4.200 4.187 4.032 4.294 0.094 9 0 "[ . 1 . 2]" 1
1260 1 42 PRO HA 1 44 PRO HG2 2.600 . 6.000 5.129 4.870 5.961 . 0 0 "[ . 1 . 2]" 1
1261 1 44 PRO HD2 1 44 PRO HG3 2.200 . 2.800 2.711 2.680 2.922 0.122 9 0 "[ . 1 . 2]" 1
1262 1 45 VAL HA 1 45 VAL MG1 2.300 . 2.900 2.443 2.417 2.473 . 0 0 "[ . 1 . 2]" 1
1263 1 45 VAL HA 1 45 VAL MG2 2.200 . 2.800 2.352 2.324 2.371 . 0 0 "[ . 1 . 2]" 1
1264 1 45 VAL HA 1 48 ILE HB 3.400 . 4.800 3.971 3.715 4.276 . 0 0 "[ . 1 . 2]" 1
1265 1 45 VAL HA 1 48 ILE MD 2.400 . 3.100 2.239 2.091 2.482 . 0 0 "[ . 1 . 2]" 1
1266 1 12 ILE MD 1 45 VAL HB 2.500 . 3.300 2.815 2.555 3.069 . 0 0 "[ . 1 . 2]" 1
1267 1 38 ILE MG 1 45 VAL HB 3.300 . 4.700 4.754 4.711 4.807 0.107 16 0 "[ . 1 . 2]" 1
1268 1 45 VAL HA 1 45 VAL HB 2.900 . 3.900 3.028 3.026 3.031 . 0 0 "[ . 1 . 2]" 1
1269 1 45 VAL HB 1 45 VAL MG1 2.100 . 2.700 2.130 2.128 2.132 . 0 0 "[ . 1 . 2]" 1
1270 1 45 VAL HB 1 45 VAL MG2 2.100 . 2.700 2.127 2.124 2.129 . 0 0 "[ . 1 . 2]" 1
1271 1 44 PRO QB 1 45 VAL MG2 3.200 . 4.500 3.428 2.790 3.567 . 0 0 "[ . 1 . 2]" 1
1272 1 44 PRO HG2 1 45 VAL MG2 3.000 . 4.100 2.874 2.632 4.140 0.040 12 0 "[ . 1 . 2]" 1
1273 1 42 PRO HA 1 45 VAL H 2.800 . 3.700 3.720 3.540 3.804 0.104 4 0 "[ . 1 . 2]" 1
1274 1 43 GLU HA 1 45 VAL H 3.300 . 4.700 4.049 3.972 4.186 . 0 0 "[ . 1 . 2]" 1
1275 1 43 GLU HB3 1 45 VAL H 4.000 . 6.000 5.157 5.070 5.283 . 0 0 "[ . 1 . 2]" 1
1276 1 44 PRO QB 1 45 VAL H 3.200 . 4.300 3.318 2.769 3.415 . 0 0 "[ . 1 . 2]" 1
1277 1 44 PRO HD3 1 45 VAL H 2.900 . 4.000 4.048 4.019 4.183 0.183 9 0 "[ . 1 . 2]" 1
1278 1 44 PRO HD2 1 45 VAL H 3.300 . 4.600 2.989 2.947 3.061 . 0 0 "[ . 1 . 2]" 1
1279 1 44 PRO HG2 1 45 VAL H 3.100 . 4.300 2.931 2.713 4.124 . 0 0 "[ . 1 . 2]" 1
1280 1 45 VAL H 1 45 VAL MG2 2.200 . 2.800 2.422 2.367 2.494 . 0 0 "[ . 1 . 2]" 1
1281 1 45 VAL MG1 1 46 LYS HA 2.700 . 3.600 3.590 3.543 3.644 0.044 12 0 "[ . 1 . 2]" 1
1282 1 46 LYS HA 1 46 LYS HB2 2.800 . 3.800 2.532 2.497 2.566 . 0 0 "[ . 1 . 2]" 1
1283 1 46 LYS HA 1 46 LYS HD3 3.300 . 4.700 4.672 4.629 4.708 0.008 6 0 "[ . 1 . 2]" 1
1284 1 46 LYS HA 1 46 LYS HD2 3.100 . 4.300 4.326 4.257 4.384 0.084 10 0 "[ . 1 . 2]" 1
1285 1 46 LYS HA 1 46 LYS HG3 2.700 . 3.600 2.519 2.489 2.571 . 0 0 "[ . 1 . 2]" 1
1286 1 46 LYS HA 1 47 ALA HA 3.400 . 4.800 4.817 4.777 4.843 0.043 12 0 "[ . 1 . 2]" 1
1287 1 46 LYS HA 1 96 PRO HG3 2.400 . 3.100 3.122 3.006 3.173 0.073 11 0 "[ . 1 . 2]" 1
1288 1 46 LYS HA 1 46 LYS HB3 2.400 . 3.100 3.022 3.015 3.029 . 0 0 "[ . 1 . 2]" 1
1289 1 43 GLU HA 1 46 LYS HB2 2.700 . 3.600 3.428 3.068 3.655 0.055 7 0 "[ . 1 . 2]" 1
1290 1 46 LYS HD2 1 46 LYS HE2 2.300 . 3.000 2.784 2.420 3.012 0.012 4 0 "[ . 1 . 2]" 1
1291 1 46 LYS HD2 1 46 LYS HE3 2.400 . 3.100 2.420 2.340 2.474 . 0 0 "[ . 1 . 2]" 1
1292 1 46 LYS HD3 1 46 LYS HE2 2.900 . 4.000 2.686 2.411 3.016 . 0 0 "[ . 1 . 2]" 1
1293 1 46 LYS HE2 1 46 LYS HG2 3.100 . 4.300 2.771 2.417 3.166 . 0 0 "[ . 1 . 2]" 1
1294 1 46 LYS HE2 1 95 ALA MB 2.600 . 3.400 2.593 1.794 3.421 0.021 13 0 "[ . 1 . 2]" 1
1295 1 46 LYS HE3 1 46 LYS HG2 3.300 . 4.700 3.412 3.162 3.767 . 0 0 "[ . 1 . 2]" 1
1296 1 46 LYS HA 1 46 LYS HG2 2.600 . 3.400 3.029 2.920 3.141 . 0 0 "[ . 1 . 2]" 1
1297 1 46 LYS HG2 1 95 ALA HA 2.800 . 3.800 3.298 3.096 3.431 . 0 0 "[ . 1 . 2]" 1
1298 1 46 LYS HG2 1 96 PRO HD3 2.800 . 3.800 3.702 3.458 3.839 0.039 13 0 "[ . 1 . 2]" 1
1299 1 46 LYS HB3 1 46 LYS HG3 2.900 . 4.000 3.011 3.008 3.013 . 0 0 "[ . 1 . 2]" 1
1300 1 46 LYS HB2 1 46 LYS HG3 2.900 . 3.900 2.446 2.407 2.479 . 0 0 "[ . 1 . 2]" 1
1301 1 46 LYS HD3 1 46 LYS HG3 2.700 . 3.600 3.013 3.004 3.016 . 0 0 "[ . 1 . 2]" 1
1302 1 46 LYS HD2 1 46 LYS HG3 2.600 . 3.500 2.477 2.406 2.548 . 0 0 "[ . 1 . 2]" 1
1303 1 46 LYS HE2 1 46 LYS HG3 2.700 . 3.600 2.756 2.418 3.008 . 0 0 "[ . 1 . 2]" 1
1304 1 46 LYS HE3 1 46 LYS HG3 2.700 . 3.600 2.968 2.371 3.750 0.150 1 0 "[ . 1 . 2]" 1
1305 1 46 LYS HG3 1 95 ALA HA 2.900 . 4.000 2.429 2.121 2.863 . 0 0 "[ . 1 . 2]" 1
1306 1 46 LYS HG3 1 95 ALA MB 2.700 . 3.600 2.883 2.699 3.047 . 0 0 "[ . 1 . 2]" 1
1307 1 46 LYS HG3 1 96 PRO HD2 3.300 . 4.600 2.613 2.411 2.851 . 0 0 "[ . 1 . 2]" 1
1308 1 46 LYS HG3 1 96 PRO HD3 3.200 . 4.500 2.835 2.634 3.104 . 0 0 "[ . 1 . 2]" 1
1309 1 42 PRO HA 1 46 LYS H 3.400 . 4.800 3.937 3.839 4.057 . 0 0 "[ . 1 . 2]" 1
1310 1 42 PRO HB2 1 46 LYS H 3.700 . 5.500 4.868 4.733 5.043 . 0 0 "[ . 1 . 2]" 1
1311 1 45 VAL MG2 1 46 LYS H 2.900 . 4.000 3.908 3.862 3.996 . 0 0 "[ . 1 . 2]" 1
1312 1 46 LYS H 1 46 LYS HA 2.700 . 3.600 2.844 2.823 2.855 . 0 0 "[ . 1 . 2]" 1
1313 1 46 LYS H 1 46 LYS HG3 3.800 . 5.600 4.396 4.352 4.449 . 0 0 "[ . 1 . 2]" 1
1314 1 46 LYS H 1 47 ALA HA 3.900 . 5.800 5.097 5.061 5.142 . 0 0 "[ . 1 . 2]" 1
1315 1 46 LYS HB2 1 47 ALA HA 3.900 . 5.800 5.622 5.569 5.662 . 0 0 "[ . 1 . 2]" 1
1316 1 46 LYS HG2 1 47 ALA HA 3.900 . 5.800 4.250 4.064 4.392 . 0 0 "[ . 1 . 2]" 1
1317 1 47 ALA HA 1 47 ALA MB 1.900 . 2.400 2.128 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
1318 1 47 ALA HA 1 50 LYS HB2 2.100 . 2.700 2.122 1.765 2.453 . 0 0 "[ . 1 . 2]" 1
1319 1 44 PRO QB 1 47 ALA MB 3.100 . 4.300 3.867 3.717 3.934 . 0 0 "[ . 1 . 2]" 1
1320 1 44 PRO QB 1 47 ALA H 3.900 . 5.800 4.868 4.703 4.960 . 0 0 "[ . 1 . 2]" 1
1321 1 46 LYS HB2 1 47 ALA H 3.000 . 4.100 3.877 3.780 3.970 . 0 0 "[ . 1 . 2]" 1
1322 1 47 ALA MB 1 48 ILE HA 3.200 . 4.500 3.988 3.938 4.038 . 0 0 "[ . 1 . 2]" 1
1323 1 48 ILE HA 1 48 ILE HB 2.600 . 3.400 3.031 3.027 3.033 . 0 0 "[ . 1 . 2]" 1
1324 1 48 ILE HA 1 48 ILE MD 2.800 . 3.800 3.867 3.851 3.881 0.081 5 0 "[ . 1 . 2]" 1
1325 1 48 ILE HA 1 48 ILE HG13 2.700 . 3.600 3.029 2.999 3.057 . 0 0 "[ . 1 . 2]" 1
1326 1 48 ILE HA 1 48 ILE MG 2.200 . 2.800 2.358 2.341 2.377 . 0 0 "[ . 1 . 2]" 1
1327 1 48 ILE HA 1 60 THR MG 3.400 . 4.800 4.566 4.256 4.799 . 0 0 "[ . 1 . 2]" 1
1328 1 48 ILE HB 1 48 ILE MG 2.000 . 2.500 2.130 2.128 2.133 . 0 0 "[ . 1 . 2]" 1
1329 1 48 ILE HB 1 89 VAL MG2 2.200 . 2.800 2.894 2.854 2.929 0.129 14 0 "[ . 1 . 2]" 1
1330 1 45 VAL MG1 1 48 ILE MD 2.400 . 3.100 2.164 1.960 2.292 . 0 0 "[ . 1 . 2]" 1
1331 1 48 ILE MD 1 60 THR MG 2.000 . 2.500 1.798 1.656 1.953 . 0 0 "[ . 1 . 2]" 1
1332 1 45 VAL HA 1 48 ILE HG13 2.800 . 3.700 2.341 2.115 2.605 . 0 0 "[ . 1 . 2]" 1
1333 1 48 ILE MD 1 48 ILE HG13 2.000 . 2.500 2.117 2.116 2.120 . 0 0 "[ . 1 . 2]" 1
1334 1 48 ILE HA 1 48 ILE HG12 2.500 . 3.300 2.608 2.575 2.639 . 0 0 "[ . 1 . 2]" 1
1335 1 48 ILE HB 1 48 ILE HG12 2.700 . 3.600 3.028 3.025 3.031 . 0 0 "[ . 1 . 2]" 1
1336 1 48 ILE MD 1 48 ILE HG12 2.000 . 2.500 2.114 2.111 2.116 . 0 0 "[ . 1 . 2]" 1
1337 1 48 ILE HG12 1 60 THR MG 2.400 . 3.100 3.045 2.806 3.148 0.048 7 0 "[ . 1 . 2]" 1
1338 1 48 ILE MG 1 60 THR HA 2.600 . 3.400 3.093 2.852 3.430 0.030 6 0 "[ . 1 . 2]" 1
1339 1 48 ILE MG 1 60 THR HB 3.400 . 4.900 3.996 3.698 4.354 . 0 0 "[ . 1 . 2]" 1
1340 1 45 VAL HA 1 48 ILE H 3.100 . 4.300 3.433 3.264 3.569 . 0 0 "[ . 1 . 2]" 1
1341 1 46 LYS HA 1 48 ILE H 3.400 . 4.900 3.743 3.663 3.821 . 0 0 "[ . 1 . 2]" 1
1342 1 47 ALA MB 1 48 ILE H 2.600 . 3.500 2.952 2.842 3.050 . 0 0 "[ . 1 . 2]" 1
1343 1 48 ILE H 1 48 ILE HB 2.400 . 3.100 2.608 2.585 2.633 . 0 0 "[ . 1 . 2]" 1
1344 1 48 ILE H 1 48 ILE MD 2.700 . 3.600 3.474 3.413 3.534 . 0 0 "[ . 1 . 2]" 1
1345 1 48 ILE H 1 48 ILE HG13 2.500 . 3.300 1.980 1.903 2.026 . 0 0 "[ . 1 . 2]" 1
1346 1 49 CYS HA 1 49 CYS HB2 2.500 . 3.300 3.022 3.017 3.028 . 0 0 "[ . 1 . 2]" 1
1347 1 49 CYS HA 1 52 ILE MD 2.500 . 6.000 4.053 3.894 4.154 . 0 0 "[ . 1 . 2]" 1
1348 1 49 CYS HA 1 52 ILE HG12 2.800 . 3.800 2.821 2.565 2.990 . 0 0 "[ . 1 . 2]" 1
1349 1 49 CYS HB2 1 50 LYS HA 3.500 . 5.100 4.601 4.457 4.724 . 0 0 "[ . 1 . 2]" 1
1350 1 49 CYS HB2 1 58 VAL QG 3.200 . 6.000 4.951 4.686 5.315 . 0 0 "[ . 1 . 2]" 1
1351 1 49 CYS HB2 1 91 CYS HA 3.200 . 4.500 4.259 4.155 4.370 . 0 0 "[ . 1 . 2]" 1
1352 1 49 CYS HB2 1 94 GLN HA 2.600 . 3.400 3.697 3.334 3.987 0.587 16 1 "[ . 1 .+ 2]" 1
1353 1 49 CYS HB2 1 94 GLN HB3 3.500 . 5.000 4.791 4.379 5.060 0.060 16 0 "[ . 1 . 2]" 1
1354 1 49 CYS HB3 1 95 ALA HA 2.600 . 3.400 3.662 3.432 3.839 0.439 19 0 "[ . 1 . 2]" 1
1355 1 49 CYS HB3 1 96 PRO HD3 3.300 . 4.700 3.548 3.429 4.029 . 0 0 "[ . 1 . 2]" 1
1356 1 45 VAL HA 1 49 CYS H 3.200 . 6.000 5.492 5.235 5.627 . 0 0 "[ . 1 . 2]" 1
1357 1 47 ALA HA 1 49 CYS H 3.100 . 4.300 3.809 3.657 3.999 . 0 0 "[ . 1 . 2]" 1
1358 1 48 ILE HA 1 49 CYS H 2.900 . 4.000 3.484 3.446 3.515 . 0 0 "[ . 1 . 2]" 1
1359 1 48 ILE HG13 1 49 CYS H 3.200 . 4.500 4.107 4.055 4.179 . 0 0 "[ . 1 . 2]" 1
1360 1 49 CYS H 1 49 CYS HB2 2.800 . 3.800 2.433 2.409 2.460 . 0 0 "[ . 1 . 2]" 1
1361 1 49 CYS H 1 95 ALA HA 3.300 . 4.700 4.737 4.581 4.778 0.078 19 0 "[ . 1 . 2]" 1
1362 1 49 CYS H 1 96 PRO HD2 3.500 . 5.000 5.132 5.062 5.634 0.634 10 2 "[ . + . -2]" 1
1363 1 50 LYS HA 1 50 LYS QB 2.200 . 2.800 2.361 2.306 2.399 . 0 0 "[ . 1 . 2]" 1
1364 1 50 LYS HA 1 50 LYS HG2 2.400 . 3.100 3.112 2.930 3.275 0.175 12 0 "[ . 1 . 2]" 1
1365 1 47 ALA HA 1 50 LYS H 2.800 . 3.700 3.153 2.968 3.341 . 0 0 "[ . 1 . 2]" 1
1366 1 50 LYS H 1 50 LYS HA 2.500 . 3.300 2.808 2.796 2.818 . 0 0 "[ . 1 . 2]" 1
1367 1 50 LYS H 1 50 LYS HG2 3.300 . 4.700 4.463 4.368 4.519 . 0 0 "[ . 1 . 2]" 1
1368 1 50 LYS H 1 50 LYS HG3 3.200 . 4.500 4.451 4.392 4.508 0.008 12 0 "[ . 1 . 2]" 1
1369 1 50 LYS HA 1 51 GLY HA3 3.100 . 4.300 4.367 4.351 4.382 0.082 5 0 "[ . 1 . 2]" 1
1370 1 49 CYS HB2 1 51 GLY H 3.900 . 5.800 5.788 5.548 5.983 0.183 7 0 "[ . 1 . 2]" 1
1371 1 50 LYS HA 1 51 GLY H 2.000 . 2.500 2.124 2.107 2.148 . 0 0 "[ . 1 . 2]" 1
1372 1 50 LYS HG2 1 51 GLY H 2.700 . 3.600 3.443 3.022 3.760 0.160 3 0 "[ . 1 . 2]" 1
1373 1 50 LYS HG3 1 51 GLY H 2.800 . 3.800 3.504 3.330 3.809 0.009 11 0 "[ . 1 . 2]" 1
1374 1 51 GLY H 1 51 GLY HA2 2.400 . 3.100 2.360 2.307 2.421 . 0 0 "[ . 1 . 2]" 1
1375 1 51 GLY H 1 52 ILE MD 3.400 . 4.800 4.810 4.687 4.866 0.066 7 0 "[ . 1 . 2]" 1
1376 1 51 GLY H 1 94 GLN HB2 3.600 . 5.200 4.100 3.655 4.395 . 0 0 "[ . 1 . 2]" 1
1377 1 51 GLY H 1 94 GLN HG3 3.200 . 4.500 3.561 3.387 3.739 . 0 0 "[ . 1 . 2]" 1
1378 1 52 ILE HA 1 52 ILE MG 2.200 . 2.800 2.281 2.272 2.296 . 0 0 "[ . 1 . 2]" 1
1379 1 52 ILE HA 1 53 ILE HB 3.200 . 6.000 4.580 4.490 4.725 . 0 0 "[ . 1 . 2]" 1
1380 1 52 ILE HB 1 52 ILE MD 2.400 . 6.000 3.241 3.236 3.246 . 0 0 "[ . 1 . 2]" 1
1381 1 52 ILE HB 1 52 ILE HG12 2.600 . 3.400 2.454 2.437 2.474 . 0 0 "[ . 1 . 2]" 1
1382 1 52 ILE HB 1 52 ILE MG 2.000 . 2.500 2.127 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
1383 1 52 ILE HB 1 91 CYS HB3 2.600 . 3.400 2.135 1.977 2.313 . 0 0 "[ . 1 . 2]" 1
1384 1 52 ILE HA 1 52 ILE MD 2.100 . 2.600 2.215 2.182 2.252 . 0 0 "[ . 1 . 2]" 1
1385 1 52 ILE MD 1 52 ILE HG13 2.000 . 2.500 2.119 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
1386 1 52 ILE MD 1 52 ILE HG12 1.900 . 2.300 2.115 2.111 2.118 . 0 0 "[ . 1 . 2]" 1
1387 1 52 ILE MD 1 91 CYS HB2 2.300 . 6.000 4.278 4.141 4.441 . 0 0 "[ . 1 . 2]" 1
1388 1 52 ILE MD 1 91 CYS HB3 2.400 . 6.000 4.616 4.466 4.762 . 0 0 "[ . 1 . 2]" 1
1389 1 52 ILE HA 1 52 ILE HG13 2.800 . 3.800 3.827 3.813 3.839 0.039 6 0 "[ . 1 . 2]" 1
1390 1 52 ILE HG13 1 52 ILE MG 2.300 . 2.900 2.357 2.327 2.393 . 0 0 "[ . 1 . 2]" 1
1391 1 52 ILE HG13 1 58 VAL QG 2.700 . 3.600 2.504 2.259 2.825 . 0 0 "[ . 1 . 2]" 1
1392 1 52 ILE HA 1 52 ILE HG12 2.600 . 3.400 3.265 3.199 3.321 . 0 0 "[ . 1 . 2]" 1
1393 1 52 ILE HG12 1 94 GLN HA 3.200 . 4.500 4.204 3.929 4.375 . 0 0 "[ . 1 . 2]" 1
1394 1 52 ILE MG 1 56 LYS HB3 2.400 . 3.100 2.038 1.820 2.279 . 0 0 "[ . 1 . 2]" 1
1395 1 52 ILE MG 1 56 LYS HD3 2.500 . 3.300 2.780 2.181 4.275 0.975 8 2 "[ - . + 1 . 2]" 1
1396 1 52 ILE MG 1 92 GLU HA 3.000 . 4.100 3.735 3.484 3.976 . 0 0 "[ . 1 . 2]" 1
1397 1 49 CYS HB2 1 52 ILE H 3.900 . 5.800 5.154 5.003 5.249 . 0 0 "[ . 1 . 2]" 1
1398 1 50 LYS HA 1 52 ILE H 3.100 . 4.300 3.552 3.384 3.741 . 0 0 "[ . 1 . 2]" 1
1399 1 51 GLY HA2 1 52 ILE H 3.100 . 4.300 3.268 3.126 3.326 . 0 0 "[ . 1 . 2]" 1
1400 1 51 GLY HA3 1 52 ILE H 3.000 . 4.100 3.311 3.230 3.440 . 0 0 "[ . 1 . 2]" 1
1401 1 52 ILE H 1 52 ILE HA 2.500 . 3.300 2.944 2.935 2.956 . 0 0 "[ . 1 . 2]" 1
1402 1 52 ILE H 1 52 ILE MG 2.600 . 6.000 3.866 3.846 3.889 . 0 0 "[ . 1 . 2]" 1
1403 1 52 ILE H 1 53 ILE MD 2.500 . 3.300 3.349 3.228 3.465 0.165 8 0 "[ . 1 . 2]" 1
1404 1 53 ILE HA 1 53 ILE MD 2.400 . 3.100 2.550 1.985 2.688 . 0 0 "[ . 1 . 2]" 1
1405 1 53 ILE HA 1 53 ILE HG13 2.700 . 3.600 2.602 2.400 3.633 0.033 19 0 "[ . 1 . 2]" 1
1406 1 53 ILE HA 1 53 ILE MG 2.100 . 2.700 2.519 2.364 2.558 . 0 0 "[ . 1 . 2]" 1
1407 1 53 ILE HA 1 93 ASN HA 2.300 . 3.000 2.169 1.947 2.346 . 0 0 "[ . 1 . 2]" 1
1408 1 53 ILE HA 1 93 ASN HB3 3.500 . 5.100 4.659 4.459 4.875 . 0 0 "[ . 1 . 2]" 1
1409 1 53 ILE HA 1 93 ASN HB2 3.500 . 5.000 4.884 4.767 5.001 0.001 19 0 "[ . 1 . 2]" 1
1410 1 53 ILE HA 1 94 GLN HG3 3.000 . 4.100 3.301 3.210 3.439 . 0 0 "[ . 1 . 2]" 1
1411 1 53 ILE HA 1 53 ILE HB 2.700 . 3.600 3.010 3.004 3.015 . 0 0 "[ . 1 . 2]" 1
1412 1 53 ILE HB 1 53 ILE MD 2.400 . 3.100 2.573 2.444 3.207 0.107 7 0 "[ . 1 . 2]" 1
1413 1 53 ILE HB 1 53 ILE HG13 2.700 . 3.600 2.956 2.547 3.030 . 0 0 "[ . 1 . 2]" 1
1414 1 53 ILE HB 1 53 ILE MG 2.000 . 2.500 2.125 2.112 2.130 . 0 0 "[ . 1 . 2]" 1
1415 1 53 ILE HB 1 54 ALA HA 3.400 . 4.800 4.517 4.260 4.660 . 0 0 "[ . 1 . 2]" 1
1416 1 53 ILE MD 1 93 ASN HA 2.800 . 3.800 3.652 2.412 3.905 0.105 20 0 "[ . 1 . 2]" 1
1417 1 53 ILE MD 1 94 GLN HA 3.100 . 4.300 3.906 3.621 4.142 . 0 0 "[ . 1 . 2]" 1
1418 1 53 ILE HA 1 53 ILE HG12 2.700 . 3.600 3.582 3.252 3.646 0.046 5 0 "[ . 1 . 2]" 1
1419 1 53 ILE HB 1 53 ILE HG12 2.500 . 3.300 2.443 2.334 2.471 . 0 0 "[ . 1 . 2]" 1
1420 1 53 ILE MD 1 53 ILE HG12 2.300 . 2.900 2.110 2.107 2.117 . 0 0 "[ . 1 . 2]" 1
1421 1 53 ILE HG12 1 53 ILE MG 2.300 . 3.000 2.436 2.288 3.162 0.162 7 0 "[ . 1 . 2]" 1
1422 1 53 ILE HG13 1 93 ASN HA 3.300 . 4.600 3.075 2.688 4.670 0.070 8 0 "[ . 1 . 2]" 1
1423 1 53 ILE HG13 1 53 ILE MG 2.300 . 2.900 2.372 2.199 2.419 . 0 0 "[ . 1 . 2]" 1
1424 1 53 ILE MG 1 54 ALA HA 3.000 . 4.100 3.180 3.015 3.433 . 0 0 "[ . 1 . 2]" 1
1425 1 53 ILE MG 1 93 ASN HA 2.500 . 3.300 2.679 2.471 2.883 . 0 0 "[ . 1 . 2]" 1
1426 1 53 ILE MG 1 93 ASN HB3 3.200 . 4.500 4.402 4.139 4.530 0.030 12 0 "[ . 1 . 2]" 1
1427 1 53 ILE MG 1 93 ASN HB2 3.100 . 6.000 4.979 4.796 5.215 . 0 0 "[ . 1 . 2]" 1
1428 1 52 ILE HA 1 53 ILE H 2.000 . 2.500 2.238 2.211 2.266 . 0 0 "[ . 1 . 2]" 1
1429 1 52 ILE MG 1 53 ILE H 2.600 . 3.400 3.405 3.321 3.434 0.034 18 0 "[ . 1 . 2]" 1
1430 1 53 ILE H 1 53 ILE HA 2.900 . 3.900 2.884 2.874 2.903 . 0 0 "[ . 1 . 2]" 1
1431 1 53 ILE H 1 53 ILE MD 2.800 . 3.800 2.276 2.123 3.046 . 0 0 "[ . 1 . 2]" 1
1432 1 53 ILE H 1 53 ILE HG13 2.800 . 3.800 3.834 3.801 3.883 0.083 7 0 "[ . 1 . 2]" 1
1433 1 53 ILE H 1 53 ILE MG 2.800 . 3.800 3.713 3.680 3.779 . 0 0 "[ . 1 . 2]" 1
1434 1 54 ALA HA 1 54 ALA MB 1.900 . 2.400 2.129 2.126 2.132 . 0 0 "[ . 1 . 2]" 1
1435 1 53 ILE HA 1 54 ALA H 3.100 . 4.300 3.557 3.539 3.576 . 0 0 "[ . 1 . 2]" 1
1436 1 53 ILE MG 1 54 ALA H 2.400 . 3.100 3.056 2.922 3.225 0.125 19 0 "[ . 1 . 2]" 1
1437 1 52 ILE MG 1 55 SER HA 3.100 . 4.300 4.113 3.831 4.303 0.003 19 0 "[ . 1 . 2]" 1
1438 1 55 SER HA 1 55 SER QB 2.100 . 2.600 2.315 2.169 2.532 . 0 0 "[ . 1 . 2]" 1
1439 1 55 SER HA 1 92 GLU HA 2.600 . 3.500 2.842 2.469 3.058 . 0 0 "[ . 1 . 2]" 1
1440 1 55 SER HA 1 92 GLU HB2 3.100 . 4.300 2.665 2.240 3.054 . 0 0 "[ . 1 . 2]" 1
1441 1 55 SER QB 1 92 GLU QG 3.100 . 4.300 2.744 2.290 2.974 . 0 0 "[ . 1 . 2]" 1
1442 1 55 SER H 1 92 GLU QG 3.300 . 4.700 2.690 2.096 3.123 . 0 0 "[ . 1 . 2]" 1
1443 1 56 LYS HA 1 56 LYS HB2 2.400 . 3.100 2.462 2.390 2.583 . 0 0 "[ . 1 . 2]" 1
1444 1 56 LYS HA 1 56 LYS HB3 2.800 . 3.800 3.024 3.009 3.030 . 0 0 "[ . 1 . 2]" 1
1445 1 56 LYS HA 1 57 ASN HA 3.600 . 5.200 4.395 4.367 4.430 . 0 0 "[ . 1 . 2]" 1
1446 1 56 LYS HB3 1 58 VAL QG 2.600 . 3.500 3.022 2.515 3.389 . 0 0 "[ . 1 . 2]" 1
1447 1 52 ILE MD 1 56 LYS QE 3.000 . 4.200 3.624 2.341 4.233 0.033 9 0 "[ . 1 . 2]" 1
1448 1 56 LYS HA 1 56 LYS QG 2.400 . 3.100 2.509 2.398 2.592 . 0 0 "[ . 1 . 2]" 1
1449 1 56 LYS HB3 1 56 LYS QG 2.100 . 2.700 2.376 2.326 2.468 . 0 0 "[ . 1 . 2]" 1
1450 1 56 LYS H 1 56 LYS QG 3.300 . 4.600 4.105 4.014 4.174 . 0 0 "[ . 1 . 2]" 1
1451 1 56 LYS H 1 57 ASN HA 3.800 . 5.600 4.721 4.538 4.841 . 0 0 "[ . 1 . 2]" 1
1452 1 56 LYS H 1 90 THR MG 2.700 . 3.600 3.315 2.987 3.569 . 0 0 "[ . 1 . 2]" 1
1453 1 56 LYS H 1 92 GLU HB3 3.900 . 5.800 5.706 5.519 5.856 0.056 14 0 "[ . 1 . 2]" 1
1454 1 57 ASN HA 1 57 ASN QB 2.600 . 3.400 2.346 2.169 2.445 . 0 0 "[ . 1 . 2]" 1
1455 1 57 ASN HA 1 58 VAL HA 3.400 . 4.900 4.379 4.356 4.407 . 0 0 "[ . 1 . 2]" 1
1456 1 57 ASN HA 1 58 VAL QG 2.900 . 3.900 3.374 3.213 3.645 . 0 0 "[ . 1 . 2]" 1
1457 1 57 ASN HA 1 90 THR HA 2.200 . 2.800 2.084 1.620 2.566 . 0 0 "[ . 1 . 2]" 1
1458 1 57 ASN HA 1 90 THR MG 3.100 . 4.300 3.449 3.091 3.651 . 0 0 "[ . 1 . 2]" 1
1459 1 57 ASN QB 1 90 THR HA 3.400 . 4.900 3.778 2.616 4.461 . 0 0 "[ . 1 . 2]" 1
1460 1 57 ASN QB 1 105 CYS QB 2.900 . 4.000 3.252 2.873 3.803 . 0 0 "[ . 1 . 2]" 1
1461 1 57 ASN HA 1 57 ASN QD 3.600 . 5.200 4.024 2.935 4.352 . 0 0 "[ . 1 . 2]" 1
1462 1 57 ASN QD 1 105 CYS QB 3.700 . 5.400 3.534 2.288 4.043 . 0 0 "[ . 1 . 2]" 1
1463 1 57 ASN H 1 57 ASN HA 2.700 . 3.600 2.881 2.856 2.904 . 0 0 "[ . 1 . 2]" 1
1464 1 58 VAL HA 1 58 VAL QG 2.200 . 2.800 2.370 2.131 2.414 . 0 0 "[ . 1 . 2]" 1
1465 1 58 VAL HA 1 59 LEU HB3 3.400 . 4.800 4.610 4.473 4.695 . 0 0 "[ . 1 . 2]" 1
1466 1 58 VAL HA 1 59 LEU HB2 3.500 . 5.000 4.283 4.197 4.456 . 0 0 "[ . 1 . 2]" 1
1467 1 58 VAL HA 1 58 VAL HB 2.500 . 3.300 2.406 2.343 3.025 . 0 0 "[ . 1 . 2]" 1
1468 1 58 VAL HB 1 58 VAL QG 2.000 . 2.200 1.889 1.885 1.896 . 0 0 "[ . 1 . 2]" 1
1469 1 56 LYS QE 1 58 VAL QG 2.400 . 3.100 2.528 1.739 3.160 0.060 8 0 "[ . 1 . 2]" 1
1470 1 56 LYS HG2 1 58 VAL QG 2.400 . 3.100 2.471 2.167 2.842 . 0 0 "[ . 1 . 2]" 1
1471 1 57 ASN HA 1 58 VAL H 2.100 . 2.600 2.162 2.120 2.189 . 0 0 "[ . 1 . 2]" 1
1472 1 58 VAL H 1 58 VAL HA 2.600 . 3.400 2.945 2.940 2.949 . 0 0 "[ . 1 . 2]" 1
1473 1 58 VAL H 1 58 VAL QG 2.500 . 3.300 2.187 2.108 2.834 . 0 0 "[ . 1 . 2]" 1
1474 1 58 VAL H 1 88 CYS HA 3.800 . 5.600 4.360 4.066 4.623 . 0 0 "[ . 1 . 2]" 1
1475 1 59 LEU HA 1 59 LEU HB2 2.700 . 3.600 2.519 2.452 2.546 . 0 0 "[ . 1 . 2]" 1
1476 1 59 LEU HA 1 59 LEU HG 3.100 . 4.300 3.616 2.986 3.686 . 0 0 "[ . 1 . 2]" 1
1477 1 59 LEU HA 1 88 CYS HA 2.300 . 3.000 1.996 1.878 2.099 . 0 0 "[ . 1 . 2]" 1
1478 1 59 LEU HA 1 59 LEU HB3 2.700 . 3.600 3.016 3.006 3.026 . 0 0 "[ . 1 . 2]" 1
1479 1 59 LEU HB3 1 59 LEU QD 2.000 . 2.500 2.175 2.133 2.221 . 0 0 "[ . 1 . 2]" 1
1480 1 59 LEU HB3 1 88 CYS HA 3.400 . 4.800 4.880 4.780 4.976 0.176 5 0 "[ . 1 . 2]" 1
1481 1 59 LEU HB2 1 59 LEU QD 2.400 . 2.800 2.454 2.071 2.542 . 0 0 "[ . 1 . 2]" 1
1482 1 59 LEU HB2 1 88 CYS HA 3.400 . 4.900 3.879 3.681 4.024 . 0 0 "[ . 1 . 2]" 1
1483 1 59 LEU MD1 1 59 LEU MD2 2.000 . 2.500 2.077 2.065 2.091 . 0 0 "[ . 1 . 2]" 1
1484 1 59 LEU QD 1 104 SER HA 2.500 . 2.900 1.916 1.603 2.243 0.097 14 0 "[ . 1 . 2]" 1
1485 1 59 LEU HA 1 59 LEU QD 2.400 . 3.100 1.954 1.875 2.190 . 0 0 "[ . 1 . 2]" 1
1486 1 59 LEU QD 1 86 LYS HB3 2.900 . 3.900 2.581 2.293 2.980 . 0 0 "[ . 1 . 2]" 1
1487 1 59 LEU QD 1 86 LYS HB2 2.900 . 3.900 2.491 2.164 2.769 . 0 0 "[ . 1 . 2]" 1
1488 1 59 LEU QD 1 86 LYS HD2 2.900 . 4.000 2.422 1.926 3.117 . 0 0 "[ . 1 . 2]" 1
1489 1 59 LEU QD 1 87 PHE HA 2.900 . 3.900 2.904 2.730 3.123 . 0 0 "[ . 1 . 2]" 1
1490 1 59 LEU QD 1 88 CYS HA 2.700 . 3.600 2.621 2.471 2.879 . 0 0 "[ . 1 . 2]" 1
1491 1 59 LEU QD 1 103 GLY HA3 3.700 . 5.400 4.268 4.150 4.419 . 0 0 "[ . 1 . 2]" 1
1492 1 59 LEU QD 1 103 GLY HA2 3.500 . 5.000 3.811 3.677 3.954 . 0 0 "[ . 1 . 2]" 1
1493 1 59 LEU QD 1 104 SER HB2 3.200 . 4.500 3.790 2.863 4.168 . 0 0 "[ . 1 . 2]" 1
1494 1 59 LEU QD 1 104 SER HB3 3.100 . 4.300 3.498 2.317 4.193 . 0 0 "[ . 1 . 2]" 1
1495 1 59 LEU QD 1 105 CYS QB 3.200 . 4.500 3.821 3.016 4.163 . 0 0 "[ . 1 . 2]" 1
1496 1 58 VAL HA 1 59 LEU H 2.000 . 2.500 2.159 2.114 2.202 . 0 0 "[ . 1 . 2]" 1
1497 1 59 LEU H 1 59 LEU HG 3.800 . 5.600 4.647 4.383 4.744 . 0 0 "[ . 1 . 2]" 1
1498 1 59 LEU H 1 88 CYS HA 3.600 . 5.200 4.327 4.054 4.443 . 0 0 "[ . 1 . 2]" 1
1499 1 60 THR HA 1 60 THR MG 2.200 . 2.800 2.309 2.188 2.356 . 0 0 "[ . 1 . 2]" 1
1500 1 60 THR HA 1 60 THR HB 2.100 . 2.700 2.502 2.471 2.670 . 0 0 "[ . 1 . 2]" 1
1501 1 60 THR HB 1 60 THR MG 2.000 . 2.500 2.131 2.129 2.133 . 0 0 "[ . 1 . 2]" 1
1502 1 59 LEU HA 1 60 THR H 2.500 . 3.300 2.223 2.191 2.260 . 0 0 "[ . 1 . 2]" 1
1503 1 59 LEU QD 1 60 THR H . . 3.000 1.764 1.583 2.262 0.317 18 0 "[ . 1 . 2]" 1
1504 1 59 LEU HG 1 60 THR H 3.100 . 4.300 4.299 2.524 4.462 0.162 11 0 "[ . 1 . 2]" 1
1505 1 60 THR H 1 86 LYS HB3 3.400 . 4.800 3.318 3.111 3.616 . 0 0 "[ . 1 . 2]" 1
1506 1 60 THR H 1 86 LYS HB2 3.700 . 5.400 4.413 4.171 4.748 . 0 0 "[ . 1 . 2]" 1
1507 1 60 THR H 1 88 CYS HA 3.000 . 4.100 3.349 3.145 3.517 . 0 0 "[ . 1 . 2]" 1
1508 1 60 THR HA 1 61 THR MG 2.700 . 3.600 3.670 3.618 3.699 0.099 8 0 "[ . 1 . 2]" 1
1509 1 61 THR HA 1 61 THR MG 2.100 . 2.700 2.261 2.230 2.300 . 0 0 "[ . 1 . 2]" 1
1510 1 60 THR MG 1 61 THR H 3.000 . 4.100 3.646 3.224 3.870 . 0 0 "[ . 1 . 2]" 1
1511 1 61 THR H 1 61 THR HA 2.500 . 3.300 2.854 2.813 2.906 . 0 0 "[ . 1 . 2]" 1
1512 1 61 THR H 1 61 THR MG 2.300 . 3.000 2.474 2.261 2.675 . 0 0 "[ . 1 . 2]" 1
1513 1 60 THR HB 1 62 SER QB 3.800 . 5.600 4.342 4.002 5.016 . 0 0 "[ . 1 . 2]" 1
1514 1 62 SER HA 1 62 SER QB 2.300 . 2.900 2.307 2.182 2.422 . 0 0 "[ . 1 . 2]" 1
1515 1 60 THR HA 1 62 SER H 2.900 . 3.900 3.888 3.779 3.979 0.079 17 0 "[ . 1 . 2]" 1
1516 1 60 THR HB 1 62 SER H 2.600 . 3.500 2.516 2.329 2.811 . 0 0 "[ . 1 . 2]" 1
1517 1 61 THR HA 1 62 SER H 2.900 . 3.900 3.404 3.327 3.477 . 0 0 "[ . 1 . 2]" 1
1518 1 61 THR HB 1 62 SER H 2.800 . 3.800 3.884 3.798 3.968 0.168 18 0 "[ . 1 . 2]" 1
1519 1 62 SER H 1 62 SER QB 2.500 . 3.300 2.793 2.625 3.196 . 0 0 "[ . 1 . 2]" 1
1520 1 62 SER H 1 86 LYS HD3 3.000 . 4.100 3.877 3.704 4.138 0.038 7 0 "[ . 1 . 2]" 1
1521 1 63 GLU HA 1 63 GLU HB3 2.700 . 3.600 2.398 2.338 2.441 . 0 0 "[ . 1 . 2]" 1
1522 1 63 GLU HA 1 63 GLU HG3 2.600 . 3.500 2.821 2.502 3.306 . 0 0 "[ . 1 . 2]" 1
1523 1 63 GLU HA 1 85 ASN HA 3.400 . 4.800 3.591 3.434 3.851 . 0 0 "[ . 1 . 2]" 1
1524 1 63 GLU HA 1 86 LYS HA 2.800 . 3.800 2.275 2.122 2.481 . 0 0 "[ . 1 . 2]" 1
1525 1 63 GLU HB3 1 84 THR MG 2.200 . 2.800 2.235 1.957 2.547 . 0 0 "[ . 1 . 2]" 1
1526 1 63 GLU HA 1 63 GLU HB2 2.300 . 3.000 3.021 3.010 3.026 0.026 14 0 "[ . 1 . 2]" 1
1527 1 63 GLU HB2 1 84 THR HA 3.400 . 4.800 4.829 4.769 4.904 0.104 19 0 "[ . 1 . 2]" 1
1528 1 63 GLU HB2 1 84 THR HB 3.000 . 4.100 4.147 4.090 4.220 0.120 16 0 "[ . 1 . 2]" 1
1529 1 63 GLU HB2 1 85 ASN HA 2.900 . 3.900 3.875 3.639 3.986 0.086 13 0 "[ . 1 . 2]" 1
1530 1 63 GLU HG3 1 85 ASN HA 2.700 . 3.600 3.216 2.103 3.965 0.365 9 0 "[ . 1 . 2]" 1
1531 1 62 SER QB 1 63 GLU H 2.200 . 2.800 2.553 2.235 2.942 0.142 16 0 "[ . 1 . 2]" 1
1532 1 63 GLU H 1 63 GLU HA 2.700 . 3.600 2.894 2.861 2.928 . 0 0 "[ . 1 . 2]" 1
1533 1 63 GLU H 1 63 GLU HB2 2.400 . 3.100 2.646 2.552 2.794 . 0 0 "[ . 1 . 2]" 1
1534 1 63 GLU H 1 63 GLU HG3 2.800 . 3.800 2.881 2.277 3.470 . 0 0 "[ . 1 . 2]" 1
1535 1 64 PHE HA 1 64 PHE HB2 2.600 . 3.400 3.011 3.001 3.016 . 0 0 "[ . 1 . 2]" 1
1536 1 64 PHE HA 1 64 PHE QD 3.900 . 5.800 3.091 3.047 3.130 . 0 0 "[ . 1 . 2]" 1
1537 1 63 GLU HA 1 64 PHE HB2 3.400 . 4.800 4.418 4.378 4.451 . 0 0 "[ . 1 . 2]" 1
1538 1 64 PHE HB2 1 66 LEU MD2 2.800 . 3.700 2.593 2.477 2.774 . 0 0 "[ . 1 . 2]" 1
1539 1 64 PHE HB3 1 66 LEU MD2 2.400 . 3.100 3.141 3.120 3.162 0.062 3 0 "[ . 1 . 2]" 1
1540 1 40 SER HB3 1 64 PHE QE 4.100 . 6.000 4.165 3.586 4.683 . 0 0 "[ . 1 . 2]" 1
1541 1 44 PRO QB 1 64 PHE QE 3.200 . 4.500 3.243 2.763 3.813 . 0 0 "[ . 1 . 2]" 1
1542 1 48 ILE MD 1 64 PHE QE 2.900 . 3.900 3.027 2.742 3.331 . 0 0 "[ . 1 . 2]" 1
1543 1 60 THR MG 1 64 PHE QE 2.700 . 3.600 2.536 2.375 2.852 . 0 0 "[ . 1 . 2]" 1
1544 1 63 GLU HA 1 64 PHE H 2.200 . 2.800 2.181 2.130 2.253 . 0 0 "[ . 1 . 2]" 1
1545 1 63 GLU HB3 1 64 PHE H 3.000 . 4.100 3.011 2.778 3.243 . 0 0 "[ . 1 . 2]" 1
1546 1 63 GLU HG2 1 64 PHE H 3.600 . 5.300 4.894 4.351 5.278 . 0 0 "[ . 1 . 2]" 1
1547 1 63 GLU HG3 1 64 PHE H 3.400 . 4.900 4.706 4.307 5.196 0.296 15 0 "[ . 1 . 2]" 1
1548 1 64 PHE H 1 64 PHE HA 2.800 . 3.800 2.940 2.932 2.947 . 0 0 "[ . 1 . 2]" 1
1549 1 64 PHE H 1 64 PHE HB2 3.200 . 4.500 2.451 2.405 2.525 . 0 0 "[ . 1 . 2]" 1
1550 1 64 PHE H 1 86 LYS HA 3.000 . 4.100 2.979 2.822 3.301 . 0 0 "[ . 1 . 2]" 1
1551 1 65 TYR HA 1 65 TYR HB2 2.900 . 4.000 3.026 3.024 3.029 . 0 0 "[ . 1 . 2]" 1
1552 1 65 TYR HA 1 66 LEU HB2 3.600 . 5.200 4.673 4.629 4.761 . 0 0 "[ . 1 . 2]" 1
1553 1 65 TYR HA 1 66 LEU HG 3.400 . 4.900 3.861 3.712 3.958 . 0 0 "[ . 1 . 2]" 1
1554 1 65 TYR HA 1 84 THR HA 2.500 . 3.300 2.679 2.490 2.938 . 0 0 "[ . 1 . 2]" 1
1555 1 65 TYR HA 1 84 THR MG 2.500 . 3.300 2.654 2.482 2.785 . 0 0 "[ . 1 . 2]" 1
1556 1 39 TYR HB2 1 65 TYR HB2 2.700 . 3.600 3.555 3.172 3.840 0.240 10 0 "[ . 1 . 2]" 1
1557 1 39 TYR HB3 1 65 TYR HB2 2.800 . 3.800 1.854 1.462 2.119 0.338 3 0 "[ . 1 . 2]" 1
1558 1 39 TYR HB2 1 65 TYR H 3.800 . 5.600 5.618 5.372 5.909 0.309 12 0 "[ . 1 . 2]" 1
1559 1 64 PHE HA 1 65 TYR H 2.200 . 2.800 2.430 2.401 2.465 . 0 0 "[ . 1 . 2]" 1
1560 1 65 TYR H 1 65 TYR HA 2.800 . 3.800 2.895 2.883 2.907 . 0 0 "[ . 1 . 2]" 1
1561 1 36 THR MG 1 66 LEU HA 2.600 . 6.000 3.793 3.507 4.120 . 0 0 "[ . 1 . 2]" 1
1562 1 38 ILE HA 1 66 LEU HA 2.600 . 3.400 2.526 2.398 2.731 . 0 0 "[ . 1 . 2]" 1
1563 1 66 LEU HA 1 66 LEU HB3 2.700 . 3.600 2.425 2.406 2.449 . 0 0 "[ . 1 . 2]" 1
1564 1 66 LEU HA 1 66 LEU MD2 2.100 . 2.700 2.065 2.005 2.106 . 0 0 "[ . 1 . 2]" 1
1565 1 66 LEU HA 1 66 LEU HG 3.000 . 4.100 3.190 3.151 3.239 . 0 0 "[ . 1 . 2]" 1
1566 1 36 THR MG 1 66 LEU HB2 2.800 . 3.800 3.562 3.289 3.840 0.040 12 0 "[ . 1 . 2]" 1
1567 1 38 ILE HA 1 66 LEU HB2 3.800 . 5.600 5.284 5.199 5.527 . 0 0 "[ . 1 . 2]" 1
1568 1 66 LEU HA 1 66 LEU HB2 2.600 . 3.400 3.014 3.012 3.017 . 0 0 "[ . 1 . 2]" 1
1569 1 66 LEU HB3 1 66 LEU HG 2.700 . 3.600 3.015 3.012 3.018 . 0 0 "[ . 1 . 2]" 1
1570 1 66 LEU HA 1 66 LEU MD1 2.800 . 3.800 3.855 3.828 3.878 0.078 7 0 "[ . 1 . 2]" 1
1571 1 66 LEU HB2 1 66 LEU MD1 2.600 . 3.500 2.343 2.319 2.374 . 0 0 "[ . 1 . 2]" 1
1572 1 66 LEU HB2 1 66 LEU MD2 2.900 . 4.000 3.202 3.198 3.205 . 0 0 "[ . 1 . 2]" 1
1573 1 66 LEU MD2 1 84 THR HA 3.800 . 5.600 4.814 4.598 5.055 . 0 0 "[ . 1 . 2]" 1
1574 1 66 LEU MD1 1 66 LEU HG 2.000 . 2.500 2.124 2.121 2.127 . 0 0 "[ . 1 . 2]" 1
1575 1 66 LEU MD2 1 66 LEU HG 2.000 . 2.500 2.126 2.123 2.129 . 0 0 "[ . 1 . 2]" 1
1576 1 66 LEU HG 1 84 THR HA 2.900 . 3.900 3.443 3.168 3.763 . 0 0 "[ . 1 . 2]" 1
1577 1 65 TYR HA 1 66 LEU H 2.100 . 2.700 2.156 2.115 2.190 . 0 0 "[ . 1 . 2]" 1
1578 1 65 TYR HB2 1 66 LEU H 3.800 . 5.600 4.379 4.331 4.428 . 0 0 "[ . 1 . 2]" 1
1579 1 65 TYR HB3 1 66 LEU H 3.300 . 4.700 3.791 3.726 3.866 . 0 0 "[ . 1 . 2]" 1
1580 1 66 LEU H 1 66 LEU HB2 2.800 . 3.700 2.553 2.526 2.585 . 0 0 "[ . 1 . 2]" 1
1581 1 66 LEU H 1 84 THR HA 2.700 . 3.600 2.649 2.531 2.871 . 0 0 "[ . 1 . 2]" 1
1582 1 66 LEU HB2 1 67 SER HA 4.000 . 6.000 4.521 4.455 4.623 . 0 0 "[ . 1 . 2]" 1
1583 1 67 SER HA 1 80 LEU QD 2.700 . 3.600 3.158 2.720 3.559 . 0 0 "[ . 1 . 2]" 1
1584 1 13 THR MG 1 67 SER HB3 3.300 . 4.600 4.490 4.286 4.656 0.056 17 0 "[ . 1 . 2]" 1
1585 1 18 VAL HB 1 67 SER HB3 3.600 . 5.300 4.801 4.186 5.057 . 0 0 "[ . 1 . 2]" 1
1586 1 67 SER HA 1 67 SER HB3 2.600 . 3.500 2.438 2.400 2.476 . 0 0 "[ . 1 . 2]" 1
1587 1 67 SER HB3 1 80 LEU QD 2.200 . 2.800 1.837 1.534 2.226 0.066 12 0 "[ . 1 . 2]" 1
1588 1 67 SER HB2 1 80 LEU QD 2.500 . 3.300 3.064 2.674 3.361 0.061 17 0 "[ . 1 . 2]" 1
1589 1 16 ARG HA 1 67 SER HG 3.000 . 4.100 2.875 2.500 3.315 . 0 0 "[ . 1 . 2]" 1
1590 1 16 ARG HB2 1 67 SER HG 3.900 . 5.800 5.053 4.732 5.356 . 0 0 "[ . 1 . 2]" 1
1591 1 18 VAL QG 1 67 SER HG 3.200 . 4.500 3.179 2.777 3.440 . 0 0 "[ . 1 . 2]" 1
1592 1 67 SER HA 1 67 SER HG 3.600 . 5.200 3.278 3.119 3.401 . 0 0 "[ . 1 . 2]" 1
1593 1 67 SER HG 1 80 LEU QD 3.100 . 4.300 2.837 2.337 3.223 . 0 0 "[ . 1 . 2]" 1
1594 1 18 VAL QG 1 67 SER H 3.200 . 4.500 4.538 4.478 4.621 0.121 11 0 "[ . 1 . 2]" 1
1595 1 66 LEU HA 1 67 SER H 2.100 . 2.600 2.222 2.153 2.263 . 0 0 "[ . 1 . 2]" 1
1596 1 66 LEU HB3 1 67 SER H 2.800 . 3.700 2.844 2.731 2.995 . 0 0 "[ . 1 . 2]" 1
1597 1 67 SER H 1 67 SER HB3 2.900 . 4.000 3.805 3.785 3.830 . 0 0 "[ . 1 . 2]" 1
1598 1 67 SER H 1 67 SER HB2 2.800 . 3.800 2.715 2.661 2.770 . 0 0 "[ . 1 . 2]" 1
1599 1 36 THR HA 1 68 ASP HA 2.300 . 2.900 2.057 1.693 2.334 0.007 4 0 "[ . 1 . 2]" 1
1600 1 68 ASP HA 1 68 ASP QB 2.400 . 3.100 2.391 2.328 2.505 . 0 0 "[ . 1 . 2]" 1
1601 1 67 SER HA 1 68 ASP QB 3.200 . 4.500 4.172 3.949 4.386 . 0 0 "[ . 1 . 2]" 1
1602 1 68 ASP QB 1 81 LYS HB2 2.500 . 3.300 3.303 3.176 3.365 0.065 7 0 "[ . 1 . 2]" 1
1603 1 68 ASP QB 1 82 LYS HA 3.800 . 5.600 5.338 5.063 5.610 0.010 6 0 "[ . 1 . 2]" 1
1604 1 67 SER HA 1 68 ASP H 2.100 . 2.600 2.140 2.112 2.177 . 0 0 "[ . 1 . 2]" 1
1605 1 68 ASP H 1 68 ASP HB2 2.300 . 3.000 2.643 2.224 2.904 . 0 0 "[ . 1 . 2]" 1
1606 1 68 ASP H 1 81 LYS HB3 2.600 . 3.500 2.699 2.504 2.959 . 0 0 "[ . 1 . 2]" 1
1607 1 68 ASP H 1 82 LYS HA 2.900 . 4.000 3.814 3.593 4.008 0.008 3 0 "[ . 1 . 2]" 1
1608 1 24 LEU QD 1 69 CYS HB2 2.600 . 3.400 2.190 1.800 3.275 0.000 7 0 "[ . 1 . 2]" 1
1609 1 35 ASN HB2 1 69 CYS HB2 3.400 . 4.900 4.405 3.866 5.370 0.470 5 0 "[ . 1 . 2]" 1
1610 1 69 CYS HA 1 69 CYS HB2 2.700 . 3.600 2.994 2.498 3.030 . 0 0 "[ . 1 . 2]" 1
1611 1 69 CYS HA 1 69 CYS HB3 2.500 . 3.300 2.530 2.348 3.018 . 0 0 "[ . 1 . 2]" 1
1612 1 35 ASN HB3 1 69 CYS H 3.900 . 5.800 3.982 3.640 4.449 . 0 0 "[ . 1 . 2]" 1
1613 1 68 ASP HA 1 69 CYS H 2.100 . 2.700 2.134 2.103 2.175 . 0 0 "[ . 1 . 2]" 1
1614 1 68 ASP QB 1 69 CYS H 2.900 . 3.900 3.681 3.231 3.902 0.002 5 0 "[ . 1 . 2]" 1
1615 1 69 CYS H 1 69 CYS HA 2.700 . 3.600 2.923 2.908 2.943 . 0 0 "[ . 1 . 2]" 1
1616 1 69 CYS H 1 69 CYS HB2 2.700 . 3.600 2.447 2.322 2.708 . 0 0 "[ . 1 . 2]" 1
1617 1 69 CYS H 1 69 CYS HB3 2.900 . 3.900 3.578 2.569 3.694 . 0 0 "[ . 1 . 2]" 1
1618 1 70 ASN HA 1 70 ASN HB2 2.500 . 3.300 2.726 2.470 3.035 . 0 0 "[ . 1 . 2]" 1
1619 1 70 ASN HA 1 70 ASN HB3 2.600 . 3.500 2.417 2.326 2.519 . 0 0 "[ . 1 . 2]" 1
1620 1 70 ASN HA 1 71 VAL QG 3.100 . 4.300 3.871 3.544 4.049 . 0 0 "[ . 1 . 2]" 1
1621 1 34 LYS HA 1 70 ASN HB2 3.300 . 4.600 4.851 4.027 5.482 0.882 13 8 "[ * -* 1* +*. **]" 1
1622 1 70 ASN HA 1 70 ASN HD21 3.600 . 5.200 3.825 2.029 4.518 . 0 0 "[ . 1 . 2]" 1
1623 1 70 ASN HB3 1 70 ASN HD21 3.000 . 4.100 2.617 2.202 3.503 . 0 0 "[ . 1 . 2]" 1
1624 1 68 ASP QB 1 70 ASN HD22 3.100 . 4.300 3.431 1.879 4.612 0.312 4 0 "[ . 1 . 2]" 1
1625 1 69 CYS HA 1 70 ASN H 2.100 . 2.700 2.137 2.056 2.177 . 0 0 "[ . 1 . 2]" 1
1626 1 69 CYS HB2 1 70 ASN H 3.500 . 5.000 4.316 4.117 4.396 . 0 0 "[ . 1 . 2]" 1
1627 1 70 ASN H 1 70 ASN HA 2.900 . 3.900 2.946 2.933 2.960 . 0 0 "[ . 1 . 2]" 1
1628 1 70 ASN HA 1 71 VAL HA 3.500 . 5.000 4.298 4.214 4.348 . 0 0 "[ . 1 . 2]" 1
1629 1 71 VAL HA 1 71 VAL HB 2.800 . 3.800 2.554 2.464 3.016 . 0 0 "[ . 1 . 2]" 1
1630 1 71 VAL HA 1 71 VAL QG 2.800 . 2.800 2.244 2.123 2.295 . 0 0 "[ . 1 . 2]" 1
1631 1 71 VAL HA 1 72 THR MG 2.800 . 3.800 3.616 3.494 3.826 0.026 7 0 "[ . 1 . 2]" 1
1632 1 71 VAL HA 1 78 TYR HA 2.300 . 2.900 2.417 2.118 2.802 . 0 0 "[ . 1 . 2]" 1
1633 1 33 ASP HA 1 71 VAL HB 2.300 . 3.000 2.992 2.800 3.076 0.076 15 0 "[ . 1 . 2]" 1
1634 1 70 ASN HA 1 71 VAL HB 3.100 . 4.300 4.383 4.255 4.465 0.165 7 0 "[ . 1 . 2]" 1
1635 1 71 VAL HB 1 71 VAL QG 2.200 . 2.600 1.892 1.888 1.898 . 0 0 "[ . 1 . 2]" 1
1636 1 71 VAL QG 1 75 PRO HA 2.600 . 3.500 2.640 2.334 3.410 . 0 0 "[ . 1 . 2]" 1
1637 1 71 VAL QG 1 76 CYS HA 2.900 . 3.900 3.290 2.773 3.814 . 0 0 "[ . 1 . 2]" 1
1638 1 71 VAL QG 1 78 TYR HA 3.100 . 4.300 3.801 3.511 4.133 . 0 0 "[ . 1 . 2]" 1
1639 1 34 LYS QB 1 71 VAL H 3.600 . 5.300 3.457 2.943 4.499 . 0 0 "[ . 1 . 2]" 1
1640 1 70 ASN HB3 1 71 VAL H 3.000 . 4.100 3.490 2.622 4.016 . 0 0 "[ . 1 . 2]" 1
1641 1 71 VAL H 1 71 VAL HA 2.600 . 3.400 2.842 2.777 2.886 . 0 0 "[ . 1 . 2]" 1
1642 1 72 THR HA 1 72 THR MG 2.700 . 3.600 2.294 2.239 2.343 . 0 0 "[ . 1 . 2]" 1
1643 1 72 THR HB 1 72 THR MG 2.300 . 3.000 2.134 2.128 2.136 . 0 0 "[ . 1 . 2]" 1
1644 1 71 VAL QG 1 72 THR H . . 2.900 2.360 2.115 2.602 . 0 0 "[ . 1 . 2]" 1
1645 1 72 THR H 1 78 TYR HA 2.700 . 3.600 3.079 2.748 3.610 0.010 17 0 "[ . 1 . 2]" 1
1646 1 73 SER HA 1 73 SER HB2 2.100 . 2.600 2.694 2.465 3.003 0.403 18 0 "[ . 1 . 2]" 1
1647 1 73 SER HA 1 73 SER HB3 2.200 . 2.800 2.411 2.288 3.005 0.205 20 0 "[ . 1 . 2]" 1
1648 1 73 SER H 1 73 SER HA 2.500 . 3.300 2.902 2.870 2.936 . 0 0 "[ . 1 . 2]" 1
1649 1 73 SER H 1 73 SER HB2 2.800 . 3.800 3.223 2.506 3.642 . 0 0 "[ . 1 . 2]" 1
1650 1 73 SER H 1 73 SER HB3 2.700 . 3.600 3.138 2.500 3.710 0.110 4 0 "[ . 1 . 2]" 1
1651 1 73 SER H 1 74 ARG HA 3.400 . 4.900 4.928 4.783 4.995 0.095 3 0 "[ . 1 . 2]" 1
1652 1 74 ARG HA 1 75 PRO QD 2.000 . 2.500 1.937 1.790 2.073 . 0 0 "[ . 1 . 2]" 1
1653 1 74 ARG QD 1 74 ARG HG2 2.500 . 3.300 2.337 2.168 2.420 . 0 0 "[ . 1 . 2]" 1
1654 1 74 ARG QD 1 75 PRO QD 3.900 . 5.600 4.132 3.722 4.854 . 0 0 "[ . 1 . 2]" 1
1655 1 74 ARG HE 1 74 ARG HG3 3.400 . 4.900 2.851 2.337 3.691 . 0 0 "[ . 1 . 2]" 1
1656 1 74 ARG QD 1 74 ARG HG3 2.000 . 2.500 2.305 2.168 2.413 . 0 0 "[ . 1 . 2]" 1
1657 1 74 ARG HG3 1 75 PRO QD 2.900 . 3.600 3.500 1.941 4.205 0.605 8 8 "[ * ** +*1 * * -2]" 1
1658 1 73 SER HA 1 74 ARG H 2.800 . 3.800 3.404 3.297 3.548 . 0 0 "[ . 1 . 2]" 1
1659 1 74 ARG H 1 74 ARG HB3 2.800 . 3.800 3.264 2.280 3.701 . 0 0 "[ . 1 . 2]" 1
1660 1 74 ARG H 1 74 ARG HG2 2.900 . 3.900 4.122 3.861 4.585 0.685 14 1 "[ . 1 +. 2]" 1
1661 1 74 ARG H 1 75 PRO QD 3.600 . 5.200 4.295 4.182 4.396 . 0 0 "[ . 1 . 2]" 1
1662 1 75 PRO HB2 1 75 PRO QD 3.000 . 4.200 3.219 2.856 3.547 . 0 0 "[ . 1 . 2]" 1
1663 1 75 PRO HB3 1 75 PRO QD 2.700 . 3.600 3.268 2.899 3.549 . 0 0 "[ . 1 . 2]" 1
1664 1 74 ARG HB3 1 75 PRO QD 3.700 . 5.400 2.983 2.114 4.155 . 0 0 "[ . 1 . 2]" 1
1665 1 74 ARG HG2 1 75 PRO QD 3.300 . 4.700 3.053 2.548 3.359 . 0 0 "[ . 1 . 2]" 1
1666 1 75 PRO QD 1 75 PRO HG2 2.500 . 3.300 2.200 2.185 2.234 . 0 0 "[ . 1 . 2]" 1
1667 1 31 CYS HB2 1 76 CYS HA 3.100 . 4.300 3.600 1.816 4.353 0.084 11 0 "[ . 1 . 2]" 1
1668 1 31 CYS HB3 1 76 CYS HA 3.100 . 4.300 2.468 2.142 2.733 . 0 0 "[ . 1 . 2]" 1
1669 1 31 CYS HB2 1 76 CYS HB3 3.300 . 4.700 4.323 2.856 4.817 0.117 19 0 "[ . 1 . 2]" 1
1670 1 76 CYS HA 1 76 CYS HB3 2.600 . 3.400 2.881 2.436 3.032 . 0 0 "[ . 1 . 2]" 1
1671 1 31 CYS HB2 1 76 CYS HB2 2.900 . 3.900 3.379 3.036 4.216 0.316 18 0 "[ . 1 . 2]" 1
1672 1 76 CYS HA 1 76 CYS HB2 2.600 . 3.400 2.645 2.475 3.028 . 0 0 "[ . 1 . 2]" 1
1673 1 31 CYS HB2 1 76 CYS H 3.600 . 5.200 4.656 3.136 5.219 0.019 15 0 "[ . 1 . 2]" 1
1674 1 31 CYS HB3 1 76 CYS H 3.500 . 5.000 3.863 3.303 4.794 . 0 0 "[ . 1 . 2]" 1
1675 1 71 VAL QG 1 76 CYS H 3.300 . 3.300 2.374 2.123 2.541 . 0 0 "[ . 1 . 2]" 1
1676 1 75 PRO HA 1 76 CYS H 2.100 . 2.600 2.125 2.068 2.159 . 0 0 "[ . 1 . 2]" 1
1677 1 75 PRO HB2 1 76 CYS H 2.600 . 3.500 3.690 3.411 4.022 0.522 9 1 "[ . +1 . 2]" 1
1678 1 75 PRO HB3 1 76 CYS H 2.900 . 4.000 3.719 3.416 4.013 0.013 18 0 "[ . 1 . 2]" 1
1679 1 76 CYS H 1 76 CYS HA 2.200 . 2.800 2.257 2.243 2.270 . 0 0 "[ . 1 . 2]" 1
1680 1 76 CYS H 1 76 CYS HB3 3.500 . 5.000 3.780 3.582 4.084 . 0 0 "[ . 1 . 2]" 1
1681 1 77 LYS HA 1 77 LYS HB2 2.400 . 3.100 2.762 2.401 3.028 . 0 0 "[ . 1 . 2]" 1
1682 1 77 LYS HA 1 77 LYS HB3 2.500 . 3.300 2.793 2.466 3.033 . 0 0 "[ . 1 . 2]" 1
1683 1 77 LYS HB3 1 77 LYS QG 2.100 . 2.600 2.277 2.151 2.440 . 0 0 "[ . 1 . 2]" 1
1684 1 74 ARG QD 1 77 LYS HG3 2.600 . 3.500 3.015 1.810 3.803 0.303 16 0 "[ . 1 . 2]" 1
1685 1 77 LYS HB2 1 77 LYS QG 2.200 . 2.800 2.249 2.143 2.426 . 0 0 "[ . 1 . 2]" 1
1686 1 71 VAL QG 1 77 LYS H 2.400 . 3.100 2.579 2.311 2.875 . 0 0 "[ . 1 . 2]" 1
1687 1 75 PRO HA 1 77 LYS H 3.000 . 4.100 3.460 3.343 3.719 . 0 0 "[ . 1 . 2]" 1
1688 1 76 CYS HA 1 77 LYS H 2.800 . 3.800 3.101 2.904 3.247 . 0 0 "[ . 1 . 2]" 1
1689 1 77 LYS H 1 77 LYS HB2 2.800 . 3.800 2.689 2.326 3.113 . 0 0 "[ . 1 . 2]" 1
1690 1 77 LYS H 1 77 LYS QG 2.900 . 4.000 3.613 2.777 4.188 0.188 2 0 "[ . 1 . 2]" 1
1691 1 20 CYS HB3 1 78 TYR HA 3.900 . 5.800 5.374 4.771 6.074 0.274 15 0 "[ . 1 . 2]" 1
1692 1 72 THR MG 1 78 TYR HA 2.400 . 3.100 2.882 2.461 3.148 0.048 11 0 "[ . 1 . 2]" 1
1693 1 78 TYR HA 1 78 TYR QB 2.300 . 3.000 2.314 2.242 2.390 . 0 0 "[ . 1 . 2]" 1
1694 1 20 CYS HB2 1 78 TYR HB2 2.500 . 3.300 2.241 1.766 3.308 0.008 20 0 "[ . 1 . 2]" 1
1695 1 24 LEU QB 1 78 TYR QE 3.200 . 4.500 2.419 2.018 2.744 . 0 0 "[ . 1 . 2]" 1
1696 1 76 CYS HA 1 78 TYR QE 3.100 . 4.300 2.937 2.643 3.351 . 0 0 "[ . 1 . 2]" 1
1697 1 20 CYS HB3 1 78 TYR H 3.600 . 5.300 5.296 4.699 5.954 0.654 7 1 "[ . + 1 . 2]" 1
1698 1 71 VAL HA 1 78 TYR H 3.900 . 5.800 4.748 4.442 5.051 . 0 0 "[ . 1 . 2]" 1
1699 1 71 VAL QG 1 78 TYR H 3.700 . 5.400 4.930 4.429 5.235 . 0 0 "[ . 1 . 2]" 1
1700 1 72 THR MG 1 78 TYR H 3.500 . 5.000 4.520 4.052 5.030 0.030 17 0 "[ . 1 . 2]" 1
1701 1 77 LYS HB2 1 78 TYR H 3.200 . 4.500 4.280 4.109 4.530 0.030 7 0 "[ . 1 . 2]" 1
1702 1 77 LYS HB3 1 78 TYR H 3.400 . 4.800 3.690 3.087 4.346 . 0 0 "[ . 1 . 2]" 1
1703 1 77 LYS QD 1 78 TYR H 3.500 . 5.000 3.178 1.937 4.844 0.063 1 0 "[ . 1 . 2]" 1
1704 1 78 TYR H 1 78 TYR QB 2.600 . 3.400 2.650 2.481 2.772 . 0 0 "[ . 1 . 2]" 1
1705 1 79 LYS HA 1 79 LYS HB2 2.400 . 3.100 2.581 2.372 3.027 . 0 0 "[ . 1 . 2]" 1
1706 1 79 LYS HA 1 79 LYS HB3 2.500 . 3.300 2.886 2.383 3.033 . 0 0 "[ . 1 . 2]" 1
1707 1 79 LYS HA 1 79 LYS QG 2.500 . 3.300 2.706 2.283 3.426 0.126 13 0 "[ . 1 . 2]" 1
1708 1 79 LYS HA 1 80 LEU HB2 3.100 . 6.000 4.267 4.128 4.490 . 0 0 "[ . 1 . 2]" 1
1709 1 78 TYR HA 1 79 LYS HB3 3.600 . 5.200 4.808 4.329 5.745 0.545 17 3 "[ .- * 1 . + 2]" 1
1710 1 79 LYS HB3 1 79 LYS QG 1.700 . 2.200 2.275 2.147 2.440 0.240 19 0 "[ . 1 . 2]" 1
1711 1 72 THR MG 1 79 LYS HB3 2.500 . 3.300 2.947 2.332 3.977 0.677 17 2 "[ .- 1 . + 2]" 1
1712 1 72 THR MG 1 79 LYS QE 2.900 . 4.000 2.943 1.884 4.045 0.045 15 0 "[ . 1 . 2]" 1
1713 1 79 LYS QD 1 79 LYS QG 1.800 . 2.200 2.037 1.989 2.093 . 0 0 "[ . 1 . 2]" 1
1714 1 20 CYS HB3 1 79 LYS H 3.800 . 5.600 5.547 4.960 6.218 0.618 15 2 "[ . - 1 + 2]" 1
1715 1 69 CYS HA 1 79 LYS H 3.500 . 5.000 4.230 3.873 4.506 . 0 0 "[ . 1 . 2]" 1
1716 1 72 THR MG 1 79 LYS H 2.600 . 3.400 2.784 2.479 3.040 . 0 0 "[ . 1 . 2]" 1
1717 1 78 TYR HA 1 79 LYS H 2.200 . 2.800 2.263 2.171 2.402 . 0 0 "[ . 1 . 2]" 1
1718 1 79 LYS H 1 79 LYS HB2 2.700 . 3.600 2.990 2.511 3.687 0.087 13 0 "[ . 1 . 2]" 1
1719 1 79 LYS H 1 79 LYS HB3 2.600 . 3.500 2.855 2.406 3.688 0.188 17 0 "[ . 1 . 2]" 1
1720 1 79 LYS H 1 79 LYS QG 3.200 . 4.500 3.732 1.886 4.297 0.014 13 0 "[ . 1 . 2]" 1
1721 1 80 LEU HA 1 80 LEU HB3 2.600 . 3.400 2.946 2.640 3.021 . 0 0 "[ . 1 . 2]" 1
1722 1 80 LEU HA 1 80 LEU QD . . 2.700 1.963 1.794 2.380 0.106 3 0 "[ . 1 . 2]" 1
1723 1 80 LEU HA 1 80 LEU HB2 2.500 . 3.300 2.639 2.455 2.965 . 0 0 "[ . 1 . 2]" 1
1724 1 80 LEU HB2 1 80 LEU QD 2.200 . 2.800 2.373 2.103 2.495 . 0 0 "[ . 1 . 2]" 1
1725 1 80 LEU HB3 1 80 LEU QD 2.200 . 2.700 2.164 2.081 2.228 . 0 0 "[ . 1 . 2]" 1
1726 1 80 LEU HB3 1 80 LEU HG 2.200 . 2.800 2.699 2.483 2.992 0.192 1 0 "[ . 1 . 2]" 1
1727 1 17 ASP HB2 1 80 LEU QD 3.200 . 4.500 3.475 2.151 4.177 . 0 0 "[ . 1 . 2]" 1
1728 1 80 LEU QD 1 82 LYS HE3 2.500 . 3.300 2.539 1.585 4.193 0.893 16 1 "[ . 1 .+ 2]" 1
1729 1 69 CYS HA 1 80 LEU QD 3.000 . 4.100 3.282 2.742 3.907 . 0 0 "[ . 1 . 2]" 1
1730 1 80 LEU HA 1 80 LEU HG 2.700 . 3.600 3.239 2.378 3.634 0.034 18 0 "[ . 1 . 2]" 1
1731 1 80 LEU HB2 1 80 LEU HG 2.400 . 3.100 2.399 2.280 2.988 . 0 0 "[ . 1 . 2]" 1
1732 1 80 LEU QD 1 80 LEU HG 1.900 . 2.400 1.888 1.880 1.895 . 0 0 "[ . 1 . 2]" 1
1733 1 79 LYS HB3 1 80 LEU H 3.100 . 4.300 3.785 2.595 4.290 . 0 0 "[ . 1 . 2]" 1
1734 1 81 LYS HA 1 81 LYS HB3 2.600 . 3.400 3.023 3.013 3.032 . 0 0 "[ . 1 . 2]" 1
1735 1 81 LYS HA 1 81 LYS HG2 2.900 . 3.900 3.136 2.839 3.354 . 0 0 "[ . 1 . 2]" 1
1736 1 81 LYS HA 1 81 LYS HG3 3.000 . 4.100 2.660 2.464 2.872 . 0 0 "[ . 1 . 2]" 1
1737 1 68 ASP QB 1 81 LYS HB3 2.400 . 3.100 1.850 1.680 2.011 0.020 17 0 "[ . 1 . 2]" 1
1738 1 81 LYS HA 1 81 LYS HB2 2.200 . 2.800 2.448 2.373 2.534 . 0 0 "[ . 1 . 2]" 1
1739 1 81 LYS QD 1 81 LYS HE2 2.000 . 2.500 2.124 2.113 2.132 . 0 0 "[ . 1 . 2]" 1
1740 1 81 LYS HE2 1 83 SER HB2 3.400 . 4.900 3.849 1.719 5.251 0.351 1 0 "[ . 1 . 2]" 1
1741 1 80 LEU HA 1 81 LYS H 2.000 . 2.500 2.197 2.123 2.256 . 0 0 "[ . 1 . 2]" 1
1742 1 80 LEU HB2 1 81 LYS H 3.300 . 4.700 4.172 4.038 4.408 . 0 0 "[ . 1 . 2]" 1
1743 1 80 LEU HB3 1 81 LYS H 3.300 . 4.700 3.649 2.787 4.015 . 0 0 "[ . 1 . 2]" 1
1744 1 80 LEU QD 1 81 LYS H 2.100 . 2.700 1.834 1.512 2.645 . 0 0 "[ . 1 . 2]" 1
1745 1 80 LEU HG 1 81 LYS H 2.900 . 4.000 4.044 2.687 4.221 0.221 10 0 "[ . 1 . 2]" 1
1746 1 81 LYS H 1 81 LYS HA 2.600 . 3.500 2.940 2.920 2.949 . 0 0 "[ . 1 . 2]" 1
1747 1 81 LYS HA 1 82 LYS HA 3.200 . 4.500 4.409 4.366 4.430 . 0 0 "[ . 1 . 2]" 1
1748 1 81 LYS HG2 1 82 LYS HA 3.600 . 5.200 4.356 4.001 4.753 . 0 0 "[ . 1 . 2]" 1
1749 1 82 LYS HA 1 82 LYS QB 2.300 . 3.000 2.344 2.300 2.406 . 0 0 "[ . 1 . 2]" 1
1750 1 82 LYS HD3 1 82 LYS HE3 2.600 . 3.500 2.888 2.480 3.017 . 0 0 "[ . 1 . 2]" 1
1751 1 67 SER HA 1 82 LYS HG2 3.100 . 4.300 4.122 3.660 4.395 0.095 16 0 "[ . 1 . 2]" 1
1752 1 80 LEU HG 1 82 LYS HG2 2.100 . 6.000 5.107 3.729 6.016 0.016 17 0 "[ . 1 . 2]" 1
1753 1 82 LYS HA 1 82 LYS HG2 2.500 . 3.300 2.647 2.533 2.807 . 0 0 "[ . 1 . 2]" 1
1754 1 82 LYS HA 1 82 LYS HG3 2.700 . 3.600 3.068 2.688 3.418 . 0 0 "[ . 1 . 2]" 1
1755 1 82 LYS H 1 82 LYS HG2 3.400 . 4.900 3.582 3.149 3.948 . 0 0 "[ . 1 . 2]" 1
1756 1 82 LYS H 1 82 LYS HG3 2.800 . 3.800 2.348 2.045 2.627 . 0 0 "[ . 1 . 2]" 1
1757 1 83 SER HA 1 83 SER QB 2.000 . 2.500 2.305 2.188 2.411 . 0 0 "[ . 1 . 2]" 1
1758 1 67 SER HA 1 83 SER H 3.300 . 4.700 3.336 3.135 3.735 . 0 0 "[ . 1 . 2]" 1
1759 1 83 SER H 1 83 SER HA 2.700 . 3.600 2.924 2.900 2.943 . 0 0 "[ . 1 . 2]" 1
1760 1 84 THR HA 1 84 THR HB 2.600 . 3.400 3.016 3.001 3.029 . 0 0 "[ . 1 . 2]" 1
1761 1 84 THR HA 1 84 THR MG 2.300 . 2.900 2.267 2.225 2.317 . 0 0 "[ . 1 . 2]" 1
1762 1 84 THR HB 1 84 THR MG 2.100 . 2.700 2.136 2.132 2.140 . 0 0 "[ . 1 . 2]" 1
1763 1 63 GLU HB2 1 84 THR MG 2.700 . 3.600 2.164 2.000 2.328 . 0 0 "[ . 1 . 2]" 1
1764 1 65 TYR HB2 1 84 THR MG 3.800 . 5.600 4.793 4.625 4.996 . 0 0 "[ . 1 . 2]" 1
1765 1 83 SER HA 1 84 THR H 2.100 . 2.600 2.384 2.160 2.520 . 0 0 "[ . 1 . 2]" 1
1766 1 84 THR H 1 84 THR HB 2.500 . 3.300 2.855 2.680 2.992 . 0 0 "[ . 1 . 2]" 1
1767 1 63 GLU HG2 1 85 ASN HA 2.800 . 3.800 2.639 2.260 3.069 . 0 0 "[ . 1 . 2]" 1
1768 1 66 LEU MD1 1 85 ASN HB3 2.300 . 2.900 2.389 2.229 2.806 . 0 0 "[ . 1 . 2]" 1
1769 1 85 ASN HA 1 85 ASN HB3 2.100 . 2.700 2.950 2.829 2.967 0.267 13 0 "[ . 1 . 2]" 1
1770 1 85 ASN HB3 1 102 VAL MG2 2.300 . 2.900 2.928 2.899 2.968 0.068 8 0 "[ . 1 . 2]" 1
1771 1 66 LEU MD1 1 85 ASN HB2 2.400 . 3.100 3.068 2.651 3.147 0.047 7 0 "[ . 1 . 2]" 1
1772 1 85 ASN HA 1 85 ASN HB2 2.500 . 3.300 2.681 2.646 2.887 . 0 0 "[ . 1 . 2]" 1
1773 1 85 ASN HB2 1 102 VAL MG2 2.600 . 3.400 3.528 3.471 3.593 0.193 2 0 "[ . 1 . 2]" 1
1774 1 85 ASN HA 1 85 ASN HD21 3.500 . 5.000 4.158 4.048 4.346 . 0 0 "[ . 1 . 2]" 1
1775 1 85 ASN HD21 1 102 VAL MG2 2.700 . 3.600 2.559 1.758 2.954 0.042 2 0 "[ . 1 . 2]" 1
1776 1 85 ASN HD21 1 103 GLY HA3 3.900 . 5.800 4.432 3.092 5.004 . 0 0 "[ . 1 . 2]" 1
1777 1 85 ASN HD21 1 103 GLY HA2 3.900 . 5.800 4.162 3.005 4.657 . 0 0 "[ . 1 . 2]" 1
1778 1 85 ASN HA 1 85 ASN HD22 3.800 . 5.600 4.381 4.314 4.486 . 0 0 "[ . 1 . 2]" 1
1779 1 66 LEU MD1 1 85 ASN H 2.800 . 3.800 2.992 2.752 3.203 . 0 0 "[ . 1 . 2]" 1
1780 1 84 THR HB 1 85 ASN H 3.100 . 4.300 4.187 4.064 4.270 . 0 0 "[ . 1 . 2]" 1
1781 1 84 THR MG 1 85 ASN H 2.600 . 3.400 3.016 2.950 3.056 . 0 0 "[ . 1 . 2]" 1
1782 1 86 LYS HA 1 86 LYS HB3 2.600 . 3.400 2.373 2.316 2.448 . 0 0 "[ . 1 . 2]" 1
1783 1 86 LYS HA 1 86 LYS HB2 2.500 . 3.300 3.012 2.988 3.022 . 0 0 "[ . 1 . 2]" 1
1784 1 86 LYS HB2 1 103 GLY HA3 3.600 . 5.200 4.588 3.946 4.929 . 0 0 "[ . 1 . 2]" 1
1785 1 86 LYS HB2 1 103 GLY HA2 3.100 . 4.300 3.124 2.601 3.472 . 0 0 "[ . 1 . 2]" 1
1786 1 86 LYS HD2 1 86 LYS HE2 2.300 . 2.900 2.736 2.430 3.022 0.122 7 0 "[ . 1 . 2]" 1
1787 1 86 LYS HE2 1 86 LYS HG2 2.300 . 2.900 3.044 2.476 3.780 0.880 15 6 "[ * **1 * + - 2]" 1
1788 1 86 LYS HA 1 86 LYS HG3 2.600 . 3.400 3.391 3.175 4.011 0.611 7 1 "[ . + 1 . 2]" 1
1789 1 86 LYS HB2 1 86 LYS HG3 2.700 . 3.600 2.410 2.290 2.463 . 0 0 "[ . 1 . 2]" 1
1790 1 86 LYS HD3 1 86 LYS HG3 2.700 . 3.600 2.998 2.992 3.014 . 0 0 "[ . 1 . 2]" 1
1791 1 86 LYS HE2 1 86 LYS HG3 2.300 . 3.000 3.073 2.248 3.806 0.806 18 6 "[ * **1 * - + 2]" 1
1792 1 63 GLU HA 1 86 LYS H 3.100 . 4.300 3.166 2.985 3.582 . 0 0 "[ . 1 . 2]" 1
1793 1 63 GLU HB3 1 86 LYS H 3.100 . 4.300 3.573 3.284 3.928 . 0 0 "[ . 1 . 2]" 1
1794 1 63 GLU HB2 1 86 LYS H 3.000 . 6.000 4.913 4.674 5.418 . 0 0 "[ . 1 . 2]" 1
1795 1 63 GLU HG2 1 86 LYS H 3.400 . 4.800 3.304 2.242 4.265 . 0 0 "[ . 1 . 2]" 1
1796 1 63 GLU HG3 1 86 LYS H 3.100 . 4.300 3.153 2.336 4.244 . 0 0 "[ . 1 . 2]" 1
1797 1 85 ASN HA 1 86 LYS H 2.100 . 2.600 2.350 2.299 2.490 . 0 0 "[ . 1 . 2]" 1
1798 1 85 ASN HB3 1 86 LYS H 2.600 . 3.400 3.268 2.908 3.410 0.010 8 0 "[ . 1 . 2]" 1
1799 1 86 LYS H 1 86 LYS HB3 2.800 . 3.800 3.571 3.556 3.603 . 0 0 "[ . 1 . 2]" 1
1800 1 86 LYS H 1 86 LYS HD3 3.200 . 4.500 4.573 3.410 4.699 0.199 12 0 "[ . 1 . 2]" 1
1801 1 86 LYS H 1 103 GLY HA2 3.500 . 5.000 3.276 2.567 3.644 . 0 0 "[ . 1 . 2]" 1
1802 1 87 PHE HA 1 88 CYS HB3 3.800 . 5.600 4.756 4.554 5.049 . 0 0 "[ . 1 . 2]" 1
1803 1 87 PHE HA 1 88 CYS HB2 3.600 . 5.200 4.310 4.178 4.534 . 0 0 "[ . 1 . 2]" 1
1804 1 87 PHE HA 1 103 GLY HA3 3.900 . 5.800 4.992 4.875 5.112 . 0 0 "[ . 1 . 2]" 1
1805 1 87 PHE HA 1 103 GLY HA2 3.400 . 4.900 4.654 4.553 4.755 . 0 0 "[ . 1 . 2]" 1
1806 1 87 PHE HA 1 87 PHE HB2 2.300 . 3.000 2.499 2.467 2.541 . 0 0 "[ . 1 . 2]" 1
1807 1 87 PHE HA 1 87 PHE HB3 2.300 . 3.000 2.386 2.354 2.418 . 0 0 "[ . 1 . 2]" 1
1808 1 38 ILE MD 1 87 PHE QE 2.500 . 3.300 2.906 2.599 3.040 . 0 0 "[ . 1 . 2]" 1
1809 1 38 ILE MG 1 87 PHE QE 2.800 . 3.800 2.561 2.272 3.060 . 0 0 "[ . 1 . 2]" 1
1810 1 64 PHE HB2 1 87 PHE QE 3.200 . 4.500 1.858 1.821 1.906 0.079 7 0 "[ . 1 . 2]" 1
1811 1 60 THR MG 1 87 PHE H 2.400 . 3.100 2.871 2.733 3.164 0.064 5 0 "[ . 1 . 2]" 1
1812 1 86 LYS HA 1 87 PHE H 2.200 . 2.800 2.533 2.486 2.564 . 0 0 "[ . 1 . 2]" 1
1813 1 87 PHE H 1 87 PHE HA 2.800 . 3.800 2.876 2.864 2.889 . 0 0 "[ . 1 . 2]" 1
1814 1 87 PHE H 1 87 PHE HB2 3.400 . 4.900 3.961 3.932 4.002 . 0 0 "[ . 1 . 2]" 1
1815 1 40 SER HB2 1 87 PHE HZ 3.800 . 5.600 5.447 4.740 5.692 0.092 20 0 "[ . 1 . 2]" 1
1816 1 40 SER HB3 1 87 PHE HZ 3.800 . 5.600 5.195 4.873 5.654 0.054 18 0 "[ . 1 . 2]" 1
1817 1 45 VAL MG1 1 87 PHE HZ 2.700 . 3.600 2.717 2.541 3.013 . 0 0 "[ . 1 . 2]" 1
1818 1 58 VAL QG 1 88 CYS HA 3.200 . 4.500 3.975 3.835 4.409 . 0 0 "[ . 1 . 2]" 1
1819 1 87 PHE HA 1 88 CYS HA 3.700 . 5.400 4.336 4.323 4.359 . 0 0 "[ . 1 . 2]" 1
1820 1 88 CYS HA 1 88 CYS HB2 2.600 . 3.400 2.543 2.417 2.686 . 0 0 "[ . 1 . 2]" 1
1821 1 88 CYS HA 1 89 VAL MG2 3.300 . 4.700 3.565 3.512 3.612 . 0 0 "[ . 1 . 2]" 1
1822 1 88 CYS HA 1 100 VAL HB 4.100 . 6.000 4.270 4.182 4.354 . 0 0 "[ . 1 . 2]" 1
1823 1 59 LEU QD 1 88 CYS HB3 2.700 . 3.600 3.461 3.324 3.629 0.029 7 0 "[ . 1 . 2]" 1
1824 1 88 CYS HA 1 88 CYS HB3 2.700 . 3.600 3.018 2.992 3.034 . 0 0 "[ . 1 . 2]" 1
1825 1 88 CYS HB3 1 100 VAL HB 2.600 . 3.400 1.853 1.757 2.014 0.043 12 0 "[ . 1 . 2]" 1
1826 1 88 CYS HB3 1 100 VAL MG2 3.000 . 4.200 3.081 2.750 3.381 . 0 0 "[ . 1 . 2]" 1
1827 1 59 LEU QD 1 88 CYS HB2 2.400 . 3.100 2.015 1.791 2.341 . 0 0 "[ . 1 . 2]" 1
1828 1 88 CYS HB2 1 100 VAL MG2 3.100 . 4.300 4.284 4.139 4.330 0.030 18 0 "[ . 1 . 2]" 1
1829 1 88 CYS HB2 1 105 CYS HA 2.500 . 3.300 3.004 2.381 3.586 0.286 3 0 "[ . 1 . 2]" 1
1830 1 59 LEU QD 1 88 CYS H 3.200 . 4.400 2.921 2.753 3.040 . 0 0 "[ . 1 . 2]" 1
1831 1 87 PHE HA 1 88 CYS H 2.300 . 3.000 2.251 2.205 2.290 . 0 0 "[ . 1 . 2]" 1
1832 1 88 CYS H 1 88 CYS HA 2.900 . 4.000 2.931 2.926 2.940 . 0 0 "[ . 1 . 2]" 1
1833 1 88 CYS H 1 88 CYS HB3 2.700 . 3.600 2.620 2.441 2.851 . 0 0 "[ . 1 . 2]" 1
1834 1 88 CYS H 1 88 CYS HB2 2.700 . 3.600 2.718 2.519 2.926 . 0 0 "[ . 1 . 2]" 1
1835 1 88 CYS H 1 100 VAL HB 3.700 . 5.400 3.616 3.480 3.750 . 0 0 "[ . 1 . 2]" 1
1836 1 88 CYS H 1 100 VAL MG1 3.100 . 4.300 4.392 4.348 4.418 0.118 9 0 "[ . 1 . 2]" 1
1837 1 88 CYS H 1 101 GLY HA3 3.900 . 5.800 4.485 4.341 4.578 . 0 0 "[ . 1 . 2]" 1
1838 1 88 CYS H 1 102 VAL HA 3.100 . 4.300 3.157 2.940 3.311 . 0 0 "[ . 1 . 2]" 1
1839 1 89 VAL HA 1 89 VAL HB 2.400 . 3.100 2.542 2.521 2.563 . 0 0 "[ . 1 . 2]" 1
1840 1 89 VAL HA 1 89 VAL MG2 2.900 . 3.900 3.207 3.196 3.215 . 0 0 "[ . 1 . 2]" 1
1841 1 89 VAL HA 1 100 VAL HB 3.300 . 4.700 3.936 3.737 4.107 . 0 0 "[ . 1 . 2]" 1
1842 1 89 VAL HB 1 89 VAL MG1 2.100 . 2.700 2.127 2.125 2.130 . 0 0 "[ . 1 . 2]" 1
1843 1 89 VAL HB 1 90 THR HA 4.000 . 6.000 4.683 4.595 4.734 . 0 0 "[ . 1 . 2]" 1
1844 1 89 VAL HB 1 90 THR HB 3.800 . 5.600 5.008 4.920 5.140 . 0 0 "[ . 1 . 2]" 1
1845 1 89 VAL HB 1 96 PRO HA 3.300 . 4.600 3.212 3.003 3.334 . 0 0 "[ . 1 . 2]" 1
1846 1 89 VAL HB 1 96 PRO HB3 2.800 . 3.800 2.211 1.891 2.438 . 0 0 "[ . 1 . 2]" 1
1847 1 89 VAL HB 1 96 PRO HB2 3.200 . 4.500 3.875 3.518 4.125 . 0 0 "[ . 1 . 2]" 1
1848 1 60 THR MG 1 89 VAL MG1 2.900 . 4.000 3.654 3.385 3.918 . 0 0 "[ . 1 . 2]" 1
1849 1 88 CYS HA 1 89 VAL MG1 3.400 . 4.800 4.032 3.914 4.131 . 0 0 "[ . 1 . 2]" 1
1850 1 89 VAL HA 1 89 VAL MG1 2.400 . 3.100 2.266 2.244 2.285 . 0 0 "[ . 1 . 2]" 1
1851 1 89 VAL MG1 1 89 VAL MG2 1.900 . 2.300 2.088 2.082 2.095 . 0 0 "[ . 1 . 2]" 1
1852 1 89 VAL HB 1 89 VAL MG2 2.200 . 2.800 2.135 2.133 2.137 . 0 0 "[ . 1 . 2]" 1
1853 1 88 CYS HB3 1 89 VAL H 3.600 . 5.200 4.153 3.982 4.319 . 0 0 "[ . 1 . 2]" 1
1854 1 88 CYS HB2 1 89 VAL H 3.400 . 4.800 4.369 4.244 4.530 . 0 0 "[ . 1 . 2]" 1
1855 1 89 VAL H 1 89 VAL MG1 3.000 . 4.100 3.002 2.885 3.124 . 0 0 "[ . 1 . 2]" 1
1856 1 89 VAL H 1 89 VAL MG2 2.300 . 2.900 2.002 1.902 2.098 . 0 0 "[ . 1 . 2]" 1
1857 1 58 VAL QG 1 90 THR HA 3.200 . 4.500 4.016 3.887 4.432 . 0 0 "[ . 1 . 2]" 1
1858 1 90 THR HA 1 90 THR HB 3.000 . 4.100 3.026 3.015 3.032 . 0 0 "[ . 1 . 2]" 1
1859 1 90 THR HA 1 90 THR MG 2.100 . 2.600 2.346 2.301 2.403 . 0 0 "[ . 1 . 2]" 1
1860 1 90 THR HA 1 100 VAL MG2 2.500 . 3.300 3.458 3.405 3.523 0.223 3 0 "[ . 1 . 2]" 1
1861 1 57 ASN HA 1 90 THR HB 3.900 . 5.800 4.990 4.604 5.400 . 0 0 "[ . 1 . 2]" 1
1862 1 90 THR HB 1 90 THR MG 2.200 . 2.800 2.136 2.132 2.139 . 0 0 "[ . 1 . 2]" 1
1863 1 90 THR MG 1 98 HIS HB2 3.200 . 4.500 2.664 2.471 2.834 . 0 0 "[ . 1 . 2]" 1
1864 1 89 VAL HA 1 90 THR H 2.200 . 2.800 2.213 2.192 2.261 . 0 0 "[ . 1 . 2]" 1
1865 1 90 THR H 1 90 THR HA 2.800 . 3.800 2.886 2.874 2.910 . 0 0 "[ . 1 . 2]" 1
1866 1 90 THR H 1 100 VAL MG2 2.600 . 3.400 2.821 2.622 3.073 . 0 0 "[ . 1 . 2]" 1
1867 1 52 ILE MG 1 91 CYS HA 3.400 . 4.800 4.416 4.311 4.543 . 0 0 "[ . 1 . 2]" 1
1868 1 91 CYS HA 1 91 CYS HB3 2.600 . 3.500 2.457 2.435 2.488 . 0 0 "[ . 1 . 2]" 1
1869 1 91 CYS HA 1 92 GLU HB2 3.800 . 5.600 4.390 4.172 4.583 . 0 0 "[ . 1 . 2]" 1
1870 1 91 CYS HA 1 96 PRO HA 2.400 . 3.100 2.556 2.415 2.668 . 0 0 "[ . 1 . 2]" 1
1871 1 91 CYS HA 1 96 PRO HB3 3.800 . 5.600 4.545 4.331 4.669 . 0 0 "[ . 1 . 2]" 1
1872 1 52 ILE HB 1 91 CYS HB2 2.700 . 3.600 2.775 2.623 2.980 . 0 0 "[ . 1 . 2]" 1
1873 1 52 ILE MG 1 91 CYS HB2 2.200 . 2.800 1.992 1.875 2.129 . 0 0 "[ . 1 . 2]" 1
1874 1 90 THR HA 1 91 CYS HB2 3.100 . 6.000 4.605 4.538 4.649 . 0 0 "[ . 1 . 2]" 1
1875 1 91 CYS HA 1 91 CYS HB2 2.600 . 3.500 3.020 3.017 3.024 . 0 0 "[ . 1 . 2]" 1
1876 1 52 ILE MG 1 91 CYS HB3 2.300 . 3.000 2.865 2.659 3.000 . 0 0 "[ . 1 . 2]" 1
1877 1 52 ILE MG 1 91 CYS H 3.100 . 4.300 3.835 3.707 3.996 . 0 0 "[ . 1 . 2]" 1
1878 1 57 ASN HA 1 91 CYS H 2.900 . 3.900 3.069 2.518 3.544 . 0 0 "[ . 1 . 2]" 1
1879 1 90 THR HB 1 91 CYS H 3.800 . 5.600 4.327 4.269 4.373 . 0 0 "[ . 1 . 2]" 1
1880 1 90 THR MG 1 91 CYS H 2.500 . 3.300 3.155 3.086 3.201 . 0 0 "[ . 1 . 2]" 1
1881 1 91 CYS H 1 91 CYS HA 2.800 . 3.800 2.907 2.894 2.921 . 0 0 "[ . 1 . 2]" 1
1882 1 91 CYS H 1 91 CYS HB3 2.800 . 3.800 3.612 3.592 3.632 . 0 0 "[ . 1 . 2]" 1
1883 1 91 CYS HA 1 92 GLU HA 3.500 . 5.100 4.382 4.369 4.397 . 0 0 "[ . 1 . 2]" 1
1884 1 92 GLU HA 1 92 GLU QG 2.600 . 3.400 2.350 2.268 2.432 . 0 0 "[ . 1 . 2]" 1
1885 1 92 GLU HB2 1 92 GLU QG 2.200 . 2.800 2.320 2.266 2.384 . 0 0 "[ . 1 . 2]" 1
1886 1 92 GLU HB2 1 97 VAL MG2 2.400 . 3.100 2.529 2.150 2.901 . 0 0 "[ . 1 . 2]" 1
1887 1 92 GLU HA 1 92 GLU HB3 2.300 . 2.900 2.999 2.956 3.018 0.118 18 0 "[ . 1 . 2]" 1
1888 1 92 GLU HB3 1 97 VAL MG1 2.300 . 3.000 2.475 1.883 2.973 . 0 0 "[ . 1 . 2]" 1
1889 1 54 ALA HA 1 92 GLU QG 3.200 . 4.500 3.561 2.909 4.233 . 0 0 "[ . 1 . 2]" 1
1890 1 91 CYS HA 1 92 GLU H 2.000 . 2.500 2.130 2.109 2.143 . 0 0 "[ . 1 . 2]" 1
1891 1 92 GLU H 1 92 GLU HB3 2.800 . 3.800 2.974 2.860 3.135 . 0 0 "[ . 1 . 2]" 1
1892 1 92 GLU H 1 92 GLU QG 3.700 . 5.400 4.172 4.133 4.192 . 0 0 "[ . 1 . 2]" 1
1893 1 92 GLU H 1 96 PRO HA 3.100 . 4.300 3.720 3.558 3.878 . 0 0 "[ . 1 . 2]" 1
1894 1 92 GLU H 1 97 VAL MG1 2.600 . 3.500 3.059 2.751 3.371 . 0 0 "[ . 1 . 2]" 1
1895 1 93 ASN HA 1 93 ASN HB3 2.300 . 2.900 2.508 2.438 2.586 . 0 0 "[ . 1 . 2]" 1
1896 1 93 ASN HA 1 93 ASN HB2 2.500 . 3.300 3.026 3.012 3.032 . 0 0 "[ . 1 . 2]" 1
1897 1 93 ASN HA 1 93 ASN HD21 3.600 . 5.200 3.941 2.545 4.466 . 0 0 "[ . 1 . 2]" 1
1898 1 93 ASN HB3 1 93 ASN HD21 3.000 . 4.200 3.361 2.905 3.516 . 0 0 "[ . 1 . 2]" 1
1899 1 93 ASN HB2 1 93 ASN HD21 2.500 . 3.300 2.240 2.172 2.907 . 0 0 "[ . 1 . 2]" 1
1900 1 53 ILE MG 1 93 ASN HD22 3.400 . 4.900 4.464 3.492 4.940 0.040 4 0 "[ . 1 . 2]" 1
1901 1 92 GLU QG 1 93 ASN HD22 3.900 . 5.400 2.795 2.351 3.457 . 0 0 "[ . 1 . 2]" 1
1902 1 93 ASN HB2 1 93 ASN HD22 2.900 . 4.000 3.486 3.454 3.775 . 0 0 "[ . 1 . 2]" 1
1903 1 53 ILE HA 1 93 ASN H 2.300 . 3.000 2.248 2.063 2.403 . 0 0 "[ . 1 . 2]" 1
1904 1 53 ILE MD 1 93 ASN H 3.300 . 4.600 4.431 3.680 4.664 0.064 18 0 "[ . 1 . 2]" 1
1905 1 53 ILE MG 1 93 ASN H 2.700 . 3.600 3.286 3.087 3.473 . 0 0 "[ . 1 . 2]" 1
1906 1 54 ALA HA 1 93 ASN H 3.300 . 4.700 4.288 4.115 4.497 . 0 0 "[ . 1 . 2]" 1
1907 1 55 SER HA 1 93 ASN H 3.700 . 5.400 4.754 4.303 5.036 . 0 0 "[ . 1 . 2]" 1
1908 1 92 GLU HA 1 93 ASN H 2.100 . 2.600 2.165 2.130 2.204 . 0 0 "[ . 1 . 2]" 1
1909 1 92 GLU HB2 1 93 ASN H 3.300 . 4.600 4.324 4.165 4.488 . 0 0 "[ . 1 . 2]" 1
1910 1 92 GLU HB3 1 93 ASN H 3.300 . 4.600 3.976 3.754 4.177 . 0 0 "[ . 1 . 2]" 1
1911 1 92 GLU QG 1 93 ASN H 2.900 . 4.000 2.734 2.464 3.121 . 0 0 "[ . 1 . 2]" 1
1912 1 93 ASN H 1 93 ASN HA 2.100 . 2.700 2.271 2.257 2.283 . 0 0 "[ . 1 . 2]" 1
1913 1 93 ASN H 1 93 ASN HB3 3.000 . 4.100 4.078 4.048 4.123 0.023 19 0 "[ . 1 . 2]" 1
1914 1 93 ASN H 1 93 ASN HB2 2.900 . 4.000 3.529 3.422 3.635 . 0 0 "[ . 1 . 2]" 1
1915 1 49 CYS HB3 1 94 GLN HA 3.000 . 4.100 2.965 2.677 3.165 . 0 0 "[ . 1 . 2]" 1
1916 1 52 ILE HB 1 94 GLN HA 2.600 . 3.400 3.277 3.011 3.415 0.015 18 0 "[ . 1 . 2]" 1
1917 1 94 GLN HA 1 94 GLN HG3 2.700 . 3.600 3.153 2.959 3.384 . 0 0 "[ . 1 . 2]" 1
1918 1 94 GLN HA 1 94 GLN HG2 2.500 . 3.300 2.465 2.368 2.559 . 0 0 "[ . 1 . 2]" 1
1919 1 94 GLN HA 1 94 GLN HB2 2.700 . 3.600 3.016 3.004 3.019 . 0 0 "[ . 1 . 2]" 1
1920 1 94 GLN HB2 1 94 GLN HG3 2.300 . 2.900 2.389 2.327 2.435 . 0 0 "[ . 1 . 2]" 1
1921 1 94 GLN HB2 1 94 GLN HG2 2.600 . 3.500 3.004 2.993 3.008 . 0 0 "[ . 1 . 2]" 1
1922 1 50 LYS HA 1 94 GLN HB3 2.700 . 3.600 2.703 1.972 3.526 . 0 0 "[ . 1 . 2]" 1
1923 1 94 GLN HA 1 94 GLN HB3 2.300 . 3.000 2.471 2.405 2.563 . 0 0 "[ . 1 . 2]" 1
1924 1 94 GLN HE21 1 94 GLN HG3 2.700 . 3.600 3.369 2.952 3.484 . 0 0 "[ . 1 . 2]" 1
1925 1 53 ILE MD 1 94 GLN HE22 3.100 . 4.300 4.370 4.317 4.413 0.113 11 0 "[ . 1 . 2]" 1
1926 1 94 GLN HE22 1 94 GLN HG2 3.500 . 5.000 3.836 3.771 4.038 . 0 0 "[ . 1 . 2]" 1
1927 1 51 GLY HA3 1 94 GLN HG3 3.800 . 5.600 5.617 5.158 5.941 0.341 3 0 "[ . 1 . 2]" 1
1928 1 51 GLY HA2 1 94 GLN HG2 3.500 . 5.000 2.982 2.747 3.315 . 0 0 "[ . 1 . 2]" 1
1929 1 51 GLY HA3 1 94 GLN HG2 3.300 . 4.700 4.098 3.928 4.353 . 0 0 "[ . 1 . 2]" 1
1930 1 53 ILE HA 1 94 GLN HG2 3.300 . 4.600 4.114 3.652 4.595 . 0 0 "[ . 1 . 2]" 1
1931 1 53 ILE MD 1 94 GLN HG2 2.400 . 3.100 2.398 2.122 2.778 . 0 0 "[ . 1 . 2]" 1
1932 1 49 CYS HB2 1 94 GLN H 3.400 . 4.800 5.190 4.982 5.360 0.560 16 4 "[ * 1 -+ *]" 1
1933 1 53 ILE HA 1 94 GLN H 2.600 . 3.400 2.556 2.372 2.689 . 0 0 "[ . 1 . 2]" 1
1934 1 53 ILE MD 1 94 GLN H 3.100 . 4.300 3.553 3.006 3.728 . 0 0 "[ . 1 . 2]" 1
1935 1 53 ILE MG 1 94 GLN H 3.400 . 4.900 4.533 4.386 4.676 . 0 0 "[ . 1 . 2]" 1
1936 1 93 ASN HA 1 94 GLN H 2.500 . 3.300 2.834 2.713 2.906 . 0 0 "[ . 1 . 2]" 1
1937 1 93 ASN HB3 1 94 GLN H 3.500 . 5.000 4.424 4.373 4.472 . 0 0 "[ . 1 . 2]" 1
1938 1 94 GLN H 1 94 GLN HB2 3.400 . 4.800 3.600 3.491 3.684 . 0 0 "[ . 1 . 2]" 1
1939 1 94 GLN H 1 94 GLN HB3 3.200 . 4.500 4.089 4.050 4.125 . 0 0 "[ . 1 . 2]" 1
1940 1 94 GLN H 1 94 GLN HG3 2.900 . 3.900 3.107 2.996 3.267 . 0 0 "[ . 1 . 2]" 1
1941 1 94 GLN H 1 95 ALA HA 4.000 . 6.000 5.199 5.161 5.229 . 0 0 "[ . 1 . 2]" 1
1942 1 46 LYS HA 1 95 ALA HA 2.900 . 3.900 3.506 3.320 3.682 . 0 0 "[ . 1 . 2]" 1
1943 1 46 LYS HE2 1 95 ALA HA 3.200 . 4.500 3.700 3.144 4.362 . 0 0 "[ . 1 . 2]" 1
1944 1 46 LYS HE3 1 95 ALA HA 3.400 . 4.900 4.166 3.223 4.926 0.026 8 0 "[ . 1 . 2]" 1
1945 1 49 CYS HB2 1 95 ALA HA 3.100 . 4.300 2.730 2.575 2.838 . 0 0 "[ . 1 . 2]" 1
1946 1 95 ALA HA 1 95 ALA MB 2.100 . 2.600 2.129 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
1947 1 4 TRP HB3 1 95 ALA MB 2.700 . 3.600 3.130 2.857 3.317 . 0 0 "[ . 1 . 2]" 1
1948 1 4 TRP HD1 1 95 ALA MB 4.200 . 6.000 3.887 3.648 4.197 . 0 0 "[ . 1 . 2]" 1
1949 1 46 LYS HA 1 95 ALA MB 3.300 . 4.700 4.483 4.298 4.622 . 0 0 "[ . 1 . 2]" 1
1950 1 46 LYS HE3 1 95 ALA MB 2.600 . 3.500 2.759 2.049 3.446 . 0 0 "[ . 1 . 2]" 1
1951 1 95 ALA MB 1 96 PRO HD3 2.800 . 3.700 3.433 3.121 3.520 . 0 0 "[ . 1 . 2]" 1
1952 1 91 CYS HA 1 95 ALA H 3.200 . 4.400 4.120 3.973 4.293 . 0 0 "[ . 1 . 2]" 1
1953 1 92 GLU HA 1 95 ALA H 3.400 . 4.800 4.322 4.239 4.442 . 0 0 "[ . 1 . 2]" 1
1954 1 95 ALA H 1 95 ALA HA 2.700 . 3.600 2.927 2.911 2.940 . 0 0 "[ . 1 . 2]" 1
1955 1 96 PRO HA 1 96 PRO HB3 2.400 . 3.100 2.278 2.271 2.287 . 0 0 "[ . 1 . 2]" 1
1956 1 96 PRO HA 1 96 PRO HD2 3.500 . 5.000 3.947 3.899 3.959 . 0 0 "[ . 1 . 2]" 1
1957 1 96 PRO HA 1 96 PRO HD3 3.300 . 4.700 3.746 3.702 3.870 . 0 0 "[ . 1 . 2]" 1
1958 1 49 CYS HB2 1 96 PRO HB3 3.800 . 6.000 5.173 5.020 5.363 . 0 0 "[ . 1 . 2]" 1
1959 1 46 LYS HA 1 96 PRO HB2 3.700 . 5.400 4.793 4.667 4.927 . 0 0 "[ . 1 . 2]" 1
1960 1 95 ALA HA 1 96 PRO HB2 3.500 . 5.100 5.075 5.025 5.130 0.030 10 0 "[ . 1 . 2]" 1
1961 1 96 PRO HA 1 96 PRO HB2 2.500 . 3.300 2.946 2.929 2.958 . 0 0 "[ . 1 . 2]" 1
1962 1 96 PRO HB2 1 96 PRO HD2 3.300 . 4.700 3.067 2.910 3.140 . 0 0 "[ . 1 . 2]" 1
1963 1 96 PRO HB2 1 96 PRO HG3 2.500 . 3.300 2.973 2.962 2.990 . 0 0 "[ . 1 . 2]" 1
1964 1 45 VAL MG1 1 96 PRO HD2 2.700 . 6.000 4.213 3.976 4.429 . 0 0 "[ . 1 . 2]" 1
1965 1 46 LYS HA 1 96 PRO HD2 2.500 . 3.300 2.604 2.442 3.032 . 0 0 "[ . 1 . 2]" 1
1966 1 95 ALA HA 1 96 PRO HD2 2.200 . 2.800 2.469 2.395 2.741 . 0 0 "[ . 1 . 2]" 1
1967 1 96 PRO HD2 1 96 PRO HG3 2.600 . 3.400 2.970 2.958 2.995 . 0 0 "[ . 1 . 2]" 1
1968 1 95 ALA HA 1 96 PRO HD3 2.200 . 2.800 1.955 1.778 2.005 . 0 0 "[ . 1 . 2]" 1
1969 1 96 PRO HB3 1 96 PRO HD3 3.000 . 4.100 4.007 3.976 4.060 . 0 0 "[ . 1 . 2]" 1
1970 1 96 PRO HB2 1 96 PRO HD3 3.000 . 4.100 3.923 3.876 3.955 . 0 0 "[ . 1 . 2]" 1
1971 1 49 CYS HB2 1 96 PRO HG3 3.100 . 4.300 3.331 3.231 3.475 . 0 0 "[ . 1 . 2]" 1
1972 1 45 VAL MG1 1 96 PRO HG2 2.200 . 2.800 2.304 2.051 2.496 . 0 0 "[ . 1 . 2]" 1
1973 1 96 PRO HB3 1 96 PRO HG2 2.400 . 3.100 2.698 2.677 2.724 . 0 0 "[ . 1 . 2]" 1
1974 1 96 PRO HB2 1 96 PRO HG2 2.500 . 3.300 2.300 2.286 2.317 . 0 0 "[ . 1 . 2]" 1
1975 1 96 PRO HD2 1 96 PRO HG2 2.500 . 3.300 2.297 2.283 2.326 . 0 0 "[ . 1 . 2]" 1
1976 1 96 PRO HD3 1 96 PRO HG2 2.500 . 3.300 2.708 2.662 2.718 . 0 0 "[ . 1 . 2]" 1
1977 1 4 TRP HA 1 97 VAL HA 3.000 . 4.200 3.278 2.805 3.795 . 0 0 "[ . 1 . 2]" 1
1978 1 7 PHE HB3 1 97 VAL HA 3.100 . 4.300 4.050 3.624 4.315 0.015 10 0 "[ . 1 . 2]" 1
1979 1 7 PHE HB2 1 97 VAL HA 2.800 . 3.800 3.007 2.753 3.226 . 0 0 "[ . 1 . 2]" 1
1980 1 97 VAL HA 1 97 VAL HB 2.200 . 2.800 2.476 2.444 2.512 . 0 0 "[ . 1 . 2]" 1
1981 1 97 VAL HA 1 97 VAL MG1 2.100 . 2.700 2.331 2.269 2.371 . 0 0 "[ . 1 . 2]" 1
1982 1 97 VAL HA 1 97 VAL MG2 2.400 . 3.100 3.197 3.187 3.209 0.109 13 0 "[ . 1 . 2]" 1
1983 1 3 ASP HA 1 97 VAL HB 2.700 . 3.600 2.435 1.911 3.134 . 0 0 "[ . 1 . 2]" 1
1984 1 97 VAL HB 1 97 VAL MG1 2.100 . 2.700 2.129 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
1985 1 97 VAL HB 1 97 VAL MG2 2.300 . 2.900 2.127 2.124 2.132 . 0 0 "[ . 1 . 2]" 1
1986 1 7 PHE HB3 1 97 VAL MG1 3.900 . 5.800 5.188 4.729 5.545 . 0 0 "[ . 1 . 2]" 1
1987 1 91 CYS HA 1 97 VAL MG1 3.200 . 4.500 4.225 3.947 4.533 0.033 6 0 "[ . 1 . 2]" 1
1988 1 96 PRO HA 1 97 VAL MG1 3.100 . 4.300 3.917 3.787 4.068 . 0 0 "[ . 1 . 2]" 1
1989 1 3 ASP HA 1 97 VAL MG2 3.300 . 4.600 4.011 3.670 4.532 . 0 0 "[ . 1 . 2]" 1
1990 1 90 THR HB 1 97 VAL MG2 2.600 . 3.400 2.903 2.523 3.250 . 0 0 "[ . 1 . 2]" 1
1991 1 92 GLU HB3 1 97 VAL MG2 2.500 . 3.300 2.444 1.954 2.897 . 0 0 "[ . 1 . 2]" 1
1992 1 97 VAL MG2 1 98 HIS HB3 3.000 . 4.200 4.220 4.027 4.318 0.118 4 0 "[ . 1 . 2]" 1
1993 1 91 CYS HA 1 97 VAL H 2.700 . 3.600 3.256 3.094 3.380 . 0 0 "[ . 1 . 2]" 1
1994 1 92 GLU HB2 1 97 VAL H 4.000 . 6.000 4.664 3.953 5.146 . 0 0 "[ . 1 . 2]" 1
1995 1 96 PRO HA 1 97 VAL H 2.100 . 2.700 2.193 2.169 2.220 . 0 0 "[ . 1 . 2]" 1
1996 1 96 PRO HB3 1 97 VAL H 3.100 . 4.300 3.960 3.784 4.074 . 0 0 "[ . 1 . 2]" 1
1997 1 97 VAL H 1 97 VAL MG1 2.600 . 3.400 2.712 2.554 2.828 . 0 0 "[ . 1 . 2]" 1
1998 1 97 VAL H 1 97 VAL MG2 2.200 . 2.800 1.990 1.944 2.051 . 0 0 "[ . 1 . 2]" 1
1999 1 90 THR HB 1 98 HIS HA 3.900 . 5.800 4.081 3.900 4.244 . 0 0 "[ . 1 . 2]" 1
2000 1 90 THR HB 1 98 HIS HB3 2.700 . 3.600 3.220 3.003 3.492 . 0 0 "[ . 1 . 2]" 1
2001 1 98 HIS HA 1 98 HIS HB3 2.800 . 3.800 2.546 2.445 2.610 . 0 0 "[ . 1 . 2]" 1
2002 1 90 THR HB 1 98 HIS HB2 2.300 . 3.000 1.649 1.530 2.078 0.070 6 0 "[ . 1 . 2]" 1
2003 1 97 VAL MG2 1 98 HIS HB2 2.900 . 3.900 2.966 2.584 3.293 . 0 0 "[ . 1 . 2]" 1
2004 1 98 HIS HA 1 98 HIS HB2 3.000 . 4.100 3.019 3.001 3.034 . 0 0 "[ . 1 . 2]" 1
2005 1 90 THR HB 1 98 HIS H 2.900 . 4.000 2.402 2.045 2.821 . 0 0 "[ . 1 . 2]" 1
2006 1 91 CYS HA 1 98 HIS H 3.600 . 5.200 4.734 4.545 4.912 . 0 0 "[ . 1 . 2]" 1
2007 1 96 PRO HA 1 98 HIS H 2.900 . 3.900 3.593 3.427 3.872 . 0 0 "[ . 1 . 2]" 1
2008 1 97 VAL HA 1 98 HIS H 3.900 . 5.800 3.446 3.379 3.537 . 0 0 "[ . 1 . 2]" 1
2009 1 98 HIS H 1 98 HIS HB3 3.000 . 4.100 3.795 3.711 3.904 . 0 0 "[ . 1 . 2]" 1
2010 1 89 VAL HA 1 99 PHE HA 2.600 . 3.500 2.729 2.622 2.811 . 0 0 "[ . 1 . 2]" 1
2011 1 89 VAL MG1 1 99 PHE HA 2.600 . 3.400 2.967 2.543 3.182 . 0 0 "[ . 1 . 2]" 1
2012 1 99 PHE HA 1 99 PHE HB2 2.700 . 3.600 2.517 2.489 2.545 . 0 0 "[ . 1 . 2]" 1
2013 1 99 PHE HA 1 99 PHE QD 2.900 . 3.900 2.593 2.499 2.679 . 0 0 "[ . 1 . 2]" 1
2014 1 99 PHE HB2 1 99 PHE QD 3.000 . 4.100 2.517 2.487 2.553 . 0 0 "[ . 1 . 2]" 1
2015 1 36 THR HB 1 99 PHE QE 3.100 . 4.300 3.277 2.538 3.632 . 0 0 "[ . 1 . 2]" 1
2016 1 89 VAL MG1 1 99 PHE QE 2.300 . 3.000 3.039 3.012 3.071 0.071 20 0 "[ . 1 . 2]" 1
2017 1 99 PHE QE 1 102 VAL MG1 2.400 . 3.100 2.773 2.426 3.021 . 0 0 "[ . 1 . 2]" 1
2018 1 98 HIS HA 1 99 PHE H 3.000 . 4.100 2.283 2.215 2.372 . 0 0 "[ . 1 . 2]" 1
2019 1 99 PHE H 1 99 PHE HB3 3.800 . 5.600 2.644 2.595 2.693 . 0 0 "[ . 1 . 2]" 1
2020 1 99 PHE H 1 99 PHE HB2 3.500 . 5.100 2.840 2.724 2.919 . 0 0 "[ . 1 . 2]" 1
2021 1 100 VAL HA 1 100 VAL MG1 2.300 . 3.000 2.405 2.373 2.437 . 0 0 "[ . 1 . 2]" 1
2022 1 100 VAL HA 1 100 VAL MG2 2.200 . 2.800 2.387 2.342 2.423 . 0 0 "[ . 1 . 2]" 1
2023 1 100 VAL HA 1 101 GLY HA3 3.500 . 5.100 4.751 4.702 4.812 . 0 0 "[ . 1 . 2]" 1
2024 1 88 CYS HB2 1 100 VAL HB 2.900 . 3.900 3.555 3.418 3.768 . 0 0 "[ . 1 . 2]" 1
2025 1 100 VAL HA 1 100 VAL HB 2.800 . 3.700 3.023 3.020 3.026 . 0 0 "[ . 1 . 2]" 1
2026 1 88 CYS HB3 1 100 VAL MG1 2.800 . 3.800 2.600 2.546 2.678 . 0 0 "[ . 1 . 2]" 1
2027 1 88 CYS HB2 1 100 VAL MG1 3.100 . 4.300 3.653 3.565 3.877 . 0 0 "[ . 1 . 2]" 1
2028 1 100 VAL HB 1 100 VAL MG1 2.300 . 2.900 2.123 2.121 2.125 . 0 0 "[ . 1 . 2]" 1
2029 1 100 VAL MG1 1 105 CYS HA 2.400 . 3.100 2.673 2.391 3.148 0.048 3 0 "[ . 1 . 2]" 1
2030 1 100 VAL MG1 1 105 CYS QB 3.100 . 4.300 2.829 1.614 3.682 0.286 14 0 "[ . 1 . 2]" 1
2031 1 100 VAL HB 1 100 VAL MG2 2.400 . 3.100 2.132 2.129 2.136 . 0 0 "[ . 1 . 2]" 1
2032 1 88 CYS HB2 1 100 VAL H 3.900 . 5.800 5.565 5.418 5.782 . 0 0 "[ . 1 . 2]" 1
2033 1 89 VAL HA 1 100 VAL H 2.500 . 3.300 2.662 2.450 2.930 . 0 0 "[ . 1 . 2]" 1
2034 1 89 VAL MG1 1 100 VAL H 3.400 . 4.800 3.734 3.342 3.970 . 0 0 "[ . 1 . 2]" 1
2035 1 99 PHE HA 1 100 VAL H 2.400 . 3.100 2.147 2.125 2.223 . 0 0 "[ . 1 . 2]" 1
2036 1 100 VAL H 1 100 VAL HA 2.900 . 3.900 2.899 2.879 2.938 . 0 0 "[ . 1 . 2]" 1
2037 1 100 VAL H 1 100 VAL HB 2.600 . 3.400 2.487 2.442 2.523 . 0 0 "[ . 1 . 2]" 1
2038 1 100 VAL H 1 100 VAL MG1 2.800 . 3.800 3.775 3.755 3.796 . 0 0 "[ . 1 . 2]" 1
2039 1 100 VAL H 1 100 VAL MG2 2.300 . 3.000 2.307 2.185 2.523 . 0 0 "[ . 1 . 2]" 1
2040 1 88 CYS HA 1 101 GLY H 3.700 . 5.400 4.804 4.717 4.885 . 0 0 "[ . 1 . 2]" 1
2041 1 89 VAL HA 1 101 GLY H 3.400 . 4.900 4.616 4.479 4.907 0.007 3 0 "[ . 1 . 2]" 1
2042 1 100 VAL MG1 1 101 GLY H 2.700 . 3.600 2.850 2.573 3.055 . 0 0 "[ . 1 . 2]" 1
2043 1 101 GLY H 1 101 GLY HA2 2.500 . 3.300 2.801 2.742 2.863 . 0 0 "[ . 1 . 2]" 1
2044 1 101 GLY H 1 105 CYS HA 3.400 . 4.800 4.841 4.662 4.895 0.095 3 0 "[ . 1 . 2]" 1
2045 1 66 LEU MD1 1 102 VAL HA 3.200 . 4.500 3.884 3.683 4.188 . 0 0 "[ . 1 . 2]" 1
2046 1 87 PHE HA 1 102 VAL HA 2.300 . 2.900 1.829 1.734 1.906 . 0 0 "[ . 1 . 2]" 1
2047 1 87 PHE HB2 1 102 VAL HA 3.000 . 4.100 2.921 2.768 3.062 . 0 0 "[ . 1 . 2]" 1
2048 1 102 VAL HA 1 102 VAL HB 2.600 . 3.500 2.282 2.260 2.310 . 0 0 "[ . 1 . 2]" 1
2049 1 102 VAL HA 1 102 VAL MG1 2.300 . 2.900 2.589 2.505 2.646 . 0 0 "[ . 1 . 2]" 1
2050 1 102 VAL HA 1 102 VAL MG2 2.400 . 3.100 3.163 3.146 3.180 0.080 2 0 "[ . 1 . 2]" 1
2051 1 87 PHE HA 1 102 VAL HB 3.400 . 4.800 3.614 3.440 3.770 . 0 0 "[ . 1 . 2]" 1
2052 1 101 GLY HA3 1 102 VAL HB 3.700 . 6.000 6.080 6.029 6.119 0.119 12 0 "[ . 1 . 2]" 1
2053 1 101 GLY HA2 1 102 VAL HB 3.800 . 5.600 5.620 5.587 5.649 0.049 16 0 "[ . 1 . 2]" 1
2054 1 102 VAL HB 1 102 VAL MG1 2.100 . 2.600 2.116 2.112 2.121 . 0 0 "[ . 1 . 2]" 1
2055 1 102 VAL HB 1 102 VAL MG2 2.000 . 2.500 2.119 2.107 2.124 . 0 0 "[ . 1 . 2]" 1
2056 1 36 THR MG 1 102 VAL MG1 2.200 . 2.800 2.274 1.959 2.614 . 0 0 "[ . 1 . 2]" 1
2057 1 66 LEU MD1 1 102 VAL MG1 2.000 . 2.500 2.170 1.974 2.390 . 0 0 "[ . 1 . 2]" 1
2058 1 87 PHE HA 1 102 VAL MG2 3.000 . 6.000 4.486 4.383 4.567 . 0 0 "[ . 1 . 2]" 1
2059 1 102 VAL MG2 1 103 GLY HA3 3.200 . 4.500 3.189 3.101 3.347 . 0 0 "[ . 1 . 2]" 1
2060 1 101 GLY HA3 1 102 VAL H 2.200 . 2.800 2.643 2.560 2.719 . 0 0 "[ . 1 . 2]" 1
2061 1 101 GLY HA2 1 102 VAL H 2.300 . 3.000 2.529 2.432 2.668 . 0 0 "[ . 1 . 2]" 1
2062 1 102 VAL H 1 102 VAL MG1 2.200 . 2.800 2.117 1.928 2.273 . 0 0 "[ . 1 . 2]" 1
2063 1 102 VAL H 1 102 VAL MG2 2.200 . 2.800 2.565 2.484 2.679 . 0 0 "[ . 1 . 2]" 1
2064 1 102 VAL HA 1 103 GLY HA2 3.200 . 4.500 4.532 4.522 4.541 0.041 16 0 "[ . 1 . 2]" 1
2065 1 102 VAL MG2 1 103 GLY HA2 2.700 . 3.600 3.614 3.478 3.892 0.292 2 0 "[ . 1 . 2]" 1
2066 1 85 ASN HB3 1 103 GLY H 3.300 . 4.700 3.478 2.908 3.726 . 0 0 "[ . 1 . 2]" 1
2067 1 87 PHE HA 1 103 GLY H 2.300 . 3.000 2.559 2.405 2.703 . 0 0 "[ . 1 . 2]" 1
2068 1 87 PHE HB2 1 103 GLY H 3.300 . 4.700 4.651 4.537 4.731 0.031 9 0 "[ . 1 . 2]" 1
2069 1 87 PHE HB3 1 103 GLY H 2.700 . 3.600 3.657 3.613 3.684 0.084 10 0 "[ . 1 . 2]" 1
2070 1 102 VAL HA 1 103 GLY H 2.100 . 2.600 2.305 2.292 2.318 . 0 0 "[ . 1 . 2]" 1
2071 1 103 GLY H 1 103 GLY HA2 2.300 . 3.000 2.356 2.336 2.374 . 0 0 "[ . 1 . 2]" 1
2072 1 59 LEU HB3 1 104 SER HA 3.900 . 5.800 4.301 4.169 4.530 . 0 0 "[ . 1 . 2]" 1
2073 1 59 LEU HB2 1 104 SER HA 3.700 . 5.400 3.563 3.359 3.725 . 0 0 "[ . 1 . 2]" 1
2074 1 104 SER HA 1 104 SER HB2 2.300 . 3.000 2.740 2.496 3.036 0.036 12 0 "[ . 1 . 2]" 1
2075 1 104 SER HA 1 104 SER HB3 2.500 . 3.300 2.520 2.356 3.024 . 0 0 "[ . 1 . 2]" 1
2076 1 102 VAL HA 1 104 SER H 3.300 . 4.700 4.256 3.880 4.721 0.021 12 0 "[ . 1 . 2]" 1
2077 1 103 GLY HA3 1 104 SER H 2.600 . 3.500 2.461 2.250 2.669 . 0 0 "[ . 1 . 2]" 1
2078 1 103 GLY HA2 1 104 SER H 2.800 . 3.800 3.536 3.471 3.566 . 0 0 "[ . 1 . 2]" 1
2079 1 104 SER H 1 104 SER HB2 2.800 . 3.800 3.397 2.803 3.927 0.127 7 0 "[ . 1 . 2]" 1
2080 1 104 SER H 1 104 SER HB3 2.600 . 3.500 3.614 3.077 3.918 0.418 10 0 "[ . 1 . 2]" 1
2081 1 105 CYS HA 1 105 CYS QB 2.600 . 2.600 2.322 2.124 2.523 . 0 0 "[ . 1 . 2]" 1
2082 1 59 LEU QD 1 105 CYS H 3.100 . 3.600 3.100 2.709 3.445 . 0 0 "[ . 1 . 2]" 1
2083 1 88 CYS HB2 1 105 CYS H 3.900 . 5.800 3.353 2.840 3.955 . 0 0 "[ . 1 . 2]" 1
2084 1 104 SER HA 1 105 CYS H 2.000 . 2.500 2.507 2.366 2.566 0.066 20 0 "[ . 1 . 2]" 1
2085 1 104 SER HB2 1 105 CYS H 2.400 . 3.100 2.974 2.119 3.816 0.716 17 6 "[ *- * 1 ** . + 2]" 1
2086 1 105 CYS H 1 105 CYS HA 2.600 . 3.500 2.920 2.902 2.948 . 0 0 "[ . 1 . 2]" 1
2087 1 29 PHE QE 1 37 PHE QE 3.400 . 4.800 3.389 3.127 3.556 . 0 0 "[ . 1 . 2]" 1
2088 1 16 ARG H 1 39 TYR QE 3.500 . 6.000 3.848 3.337 4.450 . 0 0 "[ . 1 . 2]" 1
2089 1 7 PHE QD 1 11 HIS HD2 3.300 . 4.700 3.401 3.151 3.847 . 0 0 "[ . 1 . 2]" 1
2090 1 4 TRP H 1 4 TRP HD1 3.700 . 5.400 4.983 4.804 5.117 . 0 0 "[ . 1 . 2]" 1
2091 1 4 TRP H 1 4 TRP HE3 4.300 . 6.000 4.605 4.402 4.822 . 0 0 "[ . 1 . 2]" 1
2092 1 4 TRP HZ3 1 7 PHE QD 2.700 . 3.600 2.832 2.598 3.063 . 0 0 "[ . 1 . 2]" 1
2093 1 4 TRP HD1 1 5 LEU H 3.600 . 5.200 4.268 3.839 4.558 . 0 0 "[ . 1 . 2]" 1
2094 1 4 TRP HE3 1 5 LEU H 3.900 . 5.800 5.454 5.280 5.647 . 0 0 "[ . 1 . 2]" 1
2095 1 4 TRP HE3 1 7 PHE QD 3.100 . 4.300 3.485 3.226 3.635 . 0 0 "[ . 1 . 2]" 1
2096 1 4 TRP HE3 1 7 PHE QE 4.300 . 6.000 4.766 4.353 5.010 . 0 0 "[ . 1 . 2]" 1
2097 1 4 TRP HD1 1 8 GLN HE21 3.500 . 5.100 3.320 2.921 4.336 . 0 0 "[ . 1 . 2]" 1
2098 1 4 TRP HZ2 1 8 GLN HE21 4.100 . 6.000 4.594 3.458 5.648 . 0 0 "[ . 1 . 2]" 1
2099 1 10 LYS H 1 11 HIS HD2 4.200 . 6.000 4.408 4.092 4.691 . 0 0 "[ . 1 . 2]" 1
2100 1 7 PHE QE 1 11 HIS HD2 3.700 . 5.400 3.875 3.562 4.403 . 0 0 "[ . 1 . 2]" 1
2101 1 7 PHE QD 1 11 HIS H 4.300 . 6.000 4.620 4.382 4.875 . 0 0 "[ . 1 . 2]" 1
2102 1 11 HIS H 1 11 HIS HD2 3.700 . 5.400 3.877 3.654 4.162 . 0 0 "[ . 1 . 2]" 1
2103 1 12 ILE H 1 37 PHE QD 4.100 . 6.000 4.069 3.741 4.462 . 0 0 "[ . 1 . 2]" 1
2104 1 13 THR H 1 39 TYR QD 4.100 . 6.000 5.288 5.129 5.431 . 0 0 "[ . 1 . 2]" 1
2105 1 14 ASN H 1 39 TYR QE 4.400 . 6.000 5.415 5.261 5.531 . 0 0 "[ . 1 . 2]" 1
2106 1 15 THR H 1 39 TYR QE 3.600 . 5.300 4.037 3.768 4.353 . 0 0 "[ . 1 . 2]" 1
2107 1 16 ARG HE 1 39 TYR QE 4.300 . 6.000 5.518 5.178 5.840 . 0 0 "[ . 1 . 2]" 1
2108 1 16 ARG HE 1 65 TYR QE 2.700 . 6.000 5.462 4.956 6.040 0.040 5 0 "[ . 1 . 2]" 1
2109 1 26 THR H 1 29 PHE QD 3.700 . 5.400 3.476 3.234 3.715 . 0 0 "[ . 1 . 2]" 1
2110 1 30 HIS H 1 30 HIS HD2 4.000 . 6.000 4.197 3.672 4.633 . 0 0 "[ . 1 . 2]" 1
2111 1 35 ASN HD22 1 37 PHE HZ 4.000 . 6.000 3.869 3.625 4.091 . 0 0 "[ . 1 . 2]" 1
2112 1 29 PHE QD 1 37 PHE HZ 3.400 . 4.800 4.332 4.085 4.583 . 0 0 "[ . 1 . 2]" 1
2113 1 29 PHE QE 1 37 PHE HZ 3.800 . 5.600 3.440 3.208 3.764 . 0 0 "[ . 1 . 2]" 1
2114 1 39 TYR QE 1 65 TYR QD 3.700 . 5.400 3.663 3.270 4.301 . 0 0 "[ . 1 . 2]" 1
2115 1 39 TYR QE 1 40 SER H 4.100 . 6.000 5.422 5.175 5.638 . 0 0 "[ . 1 . 2]" 1
2116 1 4 TRP HZ2 1 46 LYS H 3.800 . 5.600 3.667 3.409 4.030 . 0 0 "[ . 1 . 2]" 1
2117 1 62 SER H 1 64 PHE QD 2.900 . 6.000 4.592 4.350 4.724 . 0 0 "[ . 1 . 2]" 1
2118 1 64 PHE QE 1 87 PHE HZ 4.100 . 6.000 4.143 3.957 4.303 . 0 0 "[ . 1 . 2]" 1
2119 1 64 PHE QD 1 65 TYR H 3.500 . 5.000 3.531 3.361 3.683 . 0 0 "[ . 1 . 2]" 1
2120 1 65 TYR H 1 65 TYR QD 3.200 . 4.500 2.713 2.486 2.972 . 0 0 "[ . 1 . 2]" 1
2121 1 65 TYR QD 1 66 LEU H 3.600 . 5.200 4.426 4.306 4.569 . 0 0 "[ . 1 . 2]" 1
2122 1 65 TYR QD 1 85 ASN H 4.300 . 6.000 5.842 5.730 5.996 . 0 0 "[ . 1 . 2]" 1
2123 1 64 PHE QD 1 87 PHE QD 3.700 . 5.400 3.664 3.302 4.248 . 0 0 "[ . 1 . 2]" 1
2124 1 7 PHE HZ 1 87 PHE QE 3.200 . 4.500 4.229 3.884 4.593 0.093 11 0 "[ . 1 . 2]" 1
2125 1 64 PHE QD 1 87 PHE QE 3.300 . 4.600 2.877 2.244 3.382 . 0 0 "[ . 1 . 2]" 1
2126 1 64 PHE QE 1 87 PHE QE 4.000 . 6.000 4.095 3.715 4.309 . 0 0 "[ . 1 . 2]" 1
2127 1 64 PHE QD 1 87 PHE H 4.300 . 6.000 4.110 3.902 4.361 . 0 0 "[ . 1 . 2]" 1
2128 1 64 PHE QD 1 87 PHE HZ 4.100 . 6.000 3.872 3.518 4.042 . 0 0 "[ . 1 . 2]" 1
2129 1 64 PHE HZ 1 87 PHE HZ 4.200 . 6.000 4.804 4.590 5.022 . 0 0 "[ . 1 . 2]" 1
2130 1 4 TRP HE3 1 95 ALA MB 3.700 . 5.400 3.254 3.047 3.462 . 0 0 "[ . 1 . 2]" 1
2131 1 7 PHE QE 1 98 HIS H 4.400 . 6.000 4.007 3.681 4.682 . 0 0 "[ . 1 . 2]" 1
2132 1 7 PHE QD 1 99 PHE QD 4.200 . 6.000 4.867 4.621 5.377 . 0 0 "[ . 1 . 2]" 1
2133 1 7 PHE QE 1 99 PHE QD 3.100 . 4.300 2.813 2.510 3.356 . 0 0 "[ . 1 . 2]" 1
2134 1 7 PHE QE 1 100 VAL H 4.300 . 6.000 4.762 4.496 5.286 . 0 0 "[ . 1 . 2]" 1
2135 1 99 PHE QD 1 100 VAL H 4.300 . 6.000 3.608 3.329 3.764 . 0 0 "[ . 1 . 2]" 1
2136 1 90 THR HB 1 98 HIS HD2 3.300 . 4.700 3.732 3.016 4.730 0.030 13 0 "[ . 1 . 2]" 1
2137 1 7 PHE QE 1 11 HIS HB3 3.200 . 4.500 3.586 3.388 3.817 . 0 0 "[ . 1 . 2]" 1
2138 1 10 LYS HB3 1 11 HIS HD2 3.200 . 4.500 3.777 2.302 4.222 . 0 0 "[ . 1 . 2]" 1
2139 1 64 PHE HB3 1 65 TYR H 2.500 . 3.300 2.337 2.305 2.400 . 0 0 "[ . 1 . 2]" 1
2140 1 30 HIS QB 1 30 HIS HD2 2.800 . 6.000 2.832 2.684 3.101 . 0 0 "[ . 1 . 2]" 1
2141 1 29 PHE QD 1 32 LYS HD2 3.100 . 6.000 2.402 1.815 2.998 . 0 0 "[ . 1 . 2]" 1
2142 1 62 SER QB 1 64 PHE HZ 3.300 . 6.000 4.563 3.849 5.432 . 0 0 "[ . 1 . 2]" 1
2143 1 4 TRP HA 1 4 TRP HE3 2.300 . 3.000 2.134 1.939 2.391 . 0 0 "[ . 1 . 2]" 1
2144 1 4 TRP HA 1 7 PHE QD 3.300 . 4.600 4.129 3.774 4.277 . 0 0 "[ . 1 . 2]" 1
2145 1 4 TRP HB2 1 4 TRP HD1 2.700 . 3.600 3.546 3.470 3.628 0.028 6 0 "[ . 1 . 2]" 1
2146 1 4 TRP HB2 1 4 TRP HE3 3.000 . 4.100 3.055 2.915 3.171 . 0 0 "[ . 1 . 2]" 1
2147 1 4 TRP HB3 1 4 TRP HD1 2.400 . 3.100 2.547 2.530 2.564 . 0 0 "[ . 1 . 2]" 1
2148 1 4 TRP HD1 1 5 LEU HA 3.300 . 4.600 4.355 3.907 4.609 0.009 12 0 "[ . 1 . 2]" 1
2149 1 4 TRP HD1 1 5 LEU MD1 2.900 . 4.000 3.305 2.419 4.004 0.004 3 0 "[ . 1 . 2]" 1
2150 1 4 TRP HD1 1 5 LEU MD2 3.000 . 4.100 2.972 2.375 4.101 0.001 11 0 "[ . 1 . 2]" 1
2151 1 7 PHE HA 1 7 PHE QD 2.700 . 3.600 3.081 3.014 3.144 . 0 0 "[ . 1 . 2]" 1
2152 1 7 PHE HA 1 11 HIS HD2 2.500 . 3.300 2.575 2.193 2.943 . 0 0 "[ . 1 . 2]" 1
2153 1 4 TRP HE3 1 7 PHE HB3 2.800 . 3.700 2.799 2.615 3.032 . 0 0 "[ . 1 . 2]" 1
2154 1 7 PHE HB3 1 7 PHE QD 2.600 . 3.400 2.449 2.424 2.500 . 0 0 "[ . 1 . 2]" 1
2155 1 7 PHE HB2 1 7 PHE QD 2.400 . 3.100 2.331 2.286 2.352 . 0 0 "[ . 1 . 2]" 1
2156 1 7 PHE QD 1 8 GLN HA 2.700 . 3.600 3.033 2.935 3.124 . 0 0 "[ . 1 . 2]" 1
2157 1 7 PHE QD 1 8 GLN HB2 3.500 . 5.000 4.976 4.851 5.136 0.136 6 0 "[ . 1 . 2]" 1
2158 1 7 PHE QD 1 8 GLN HB3 3.000 . 6.000 5.381 5.076 5.489 . 0 0 "[ . 1 . 2]" 1
2159 1 4 TRP HD1 1 8 GLN HE22 3.100 . 4.300 3.622 3.318 4.013 . 0 0 "[ . 1 . 2]" 1
2160 1 7 PHE QD 1 8 GLN QG 2.700 . 3.600 3.593 3.312 3.658 0.058 14 0 "[ . 1 . 2]" 1
2161 1 10 LYS HA 1 29 PHE QE 2.600 . 3.400 2.502 2.061 3.090 . 0 0 "[ . 1 . 2]" 1
2162 1 10 LYS HA 1 29 PHE HZ 2.800 . 3.700 2.033 1.839 2.471 0.061 11 0 "[ . 1 . 2]" 1
2163 1 10 LYS HA 1 37 PHE QD 3.300 . 4.700 4.813 4.739 4.896 0.196 10 0 "[ . 1 . 2]" 1
2164 1 10 LYS HB2 1 11 HIS HD2 2.900 . 3.900 3.077 2.596 3.944 0.044 16 0 "[ . 1 . 2]" 1
2165 1 10 LYS HG2 1 29 PHE QE 3.300 . 4.700 2.868 2.347 3.573 . 0 0 "[ . 1 . 2]" 1
2166 1 10 LYS HG2 1 29 PHE HZ 3.300 . 4.600 3.622 3.084 4.522 . 0 0 "[ . 1 . 2]" 1
2167 1 10 LYS HG3 1 29 PHE QE 3.400 . 4.900 4.119 1.827 4.680 0.073 16 0 "[ . 1 . 2]" 1
2168 1 10 LYS HG3 1 29 PHE HZ 3.400 . 4.900 4.503 3.400 4.907 0.007 17 0 "[ . 1 . 2]" 1
2169 1 11 HIS HB3 1 11 HIS HD2 3.100 . 4.300 3.784 3.710 3.862 . 0 0 "[ . 1 . 2]" 1
2170 1 4 TRP HH2 1 12 ILE MD 2.700 . 3.600 2.934 2.336 3.273 . 0 0 "[ . 1 . 2]" 1
2171 1 4 TRP HZ3 1 12 ILE MD 2.900 . 3.900 3.640 3.135 3.943 0.043 14 0 "[ . 1 . 2]" 1
2172 1 7 PHE QD 1 12 ILE MD 2.900 . 4.000 3.298 2.334 3.610 . 0 0 "[ . 1 . 2]" 1
2173 1 7 PHE QE 1 12 ILE MD 2.900 . 4.000 2.898 2.449 3.575 . 0 0 "[ . 1 . 2]" 1
2174 1 13 THR HA 1 37 PHE QD 3.200 . 4.500 4.495 4.385 4.563 0.063 3 0 "[ . 1 . 2]" 1
2175 1 13 THR HB 1 37 PHE QD 2.700 . 3.600 2.630 2.408 2.795 . 0 0 "[ . 1 . 2]" 1
2176 1 13 THR MG 1 39 TYR QD 2.500 . 3.300 2.962 2.811 3.155 . 0 0 "[ . 1 . 2]" 1
2177 1 14 ASN HA 1 39 TYR QD 2.700 . 3.600 3.072 2.737 3.327 . 0 0 "[ . 1 . 2]" 1
2178 1 14 ASN HA 1 39 TYR QE 2.600 . 3.500 3.406 3.147 3.560 0.060 13 0 "[ . 1 . 2]" 1
2179 1 15 THR HA 1 39 TYR QD 3.100 . 4.300 3.242 3.041 3.855 . 0 0 "[ . 1 . 2]" 1
2180 1 15 THR HA 1 39 TYR QE 2.400 . 3.100 2.774 2.343 3.113 0.013 10 0 "[ . 1 . 2]" 1
2181 1 16 ARG QD 1 39 TYR QD 2.700 . 3.600 2.505 2.265 2.739 . 0 0 "[ . 1 . 2]" 1
2182 1 16 ARG QD 1 39 TYR QE 3.100 . 4.300 3.386 3.149 3.600 . 0 0 "[ . 1 . 2]" 1
2183 1 18 VAL QG 1 37 PHE HZ 3.100 . 4.300 3.289 3.083 3.479 . 0 0 "[ . 1 . 2]" 1
2184 1 23 ILE HB 1 37 PHE QE 3.400 . 4.800 4.559 4.128 4.888 0.088 8 0 "[ . 1 . 2]" 1
2185 1 23 ILE MD 1 37 PHE QE 3.100 . 4.300 4.034 3.723 4.409 0.109 8 0 "[ . 1 . 2]" 1
2186 1 23 ILE MD 1 37 PHE HZ 3.400 . 4.800 4.400 4.111 4.732 . 0 0 "[ . 1 . 2]" 1
2187 1 23 ILE MG 1 29 PHE QE 3.400 . 4.900 2.038 1.876 2.270 0.024 9 0 "[ . 1 . 2]" 1
2188 1 23 ILE MG 1 29 PHE HZ 2.600 . 3.400 3.292 2.962 3.436 0.036 18 0 "[ . 1 . 2]" 1
2189 1 23 ILE MG 1 37 PHE QD 3.200 . 4.500 4.535 4.125 4.657 0.157 15 0 "[ . 1 . 2]" 1
2190 1 24 LEU HA 1 29 PHE QD 2.600 . 3.400 2.209 1.916 2.572 . 0 0 "[ . 1 . 2]" 1
2191 1 24 LEU QD 1 29 PHE QD 3.200 . 4.300 2.824 2.676 3.129 . 0 0 "[ . 1 . 2]" 1
2192 1 24 LEU QD 1 37 PHE QD 3.100 . 6.000 3.903 3.744 4.154 . 0 0 "[ . 1 . 2]" 1
2193 1 27 ASN HA 1 30 HIS HD2 3.300 . 4.600 3.265 2.321 4.621 0.021 12 0 "[ . 1 . 2]" 1
2194 1 28 LEU HB3 1 29 PHE QD 2.800 . 3.800 2.844 2.629 3.083 . 0 0 "[ . 1 . 2]" 1
2195 1 28 LEU MD2 1 29 PHE HZ 3.000 . 4.200 3.030 2.821 3.358 . 0 0 "[ . 1 . 2]" 1
2196 1 29 PHE HA 1 29 PHE QD 2.600 . 3.400 2.798 2.726 2.911 . 0 0 "[ . 1 . 2]" 1
2197 1 29 PHE QB 1 29 PHE QD 2.400 . 3.100 2.121 2.117 2.124 . 0 0 "[ . 1 . 2]" 1
2198 1 30 HIS HA 1 30 HIS HD2 3.200 . 4.500 3.425 2.372 4.601 0.101 12 0 "[ . 1 . 2]" 1
2199 1 29 PHE QD 1 32 LYS HD3 3.100 . 4.300 3.056 2.325 4.263 . 0 0 "[ . 1 . 2]" 1
2200 1 35 ASN HB3 1 37 PHE QE 3.300 . 4.600 2.759 2.621 3.018 . 0 0 "[ . 1 . 2]" 1
2201 1 35 ASN HB2 1 37 PHE QE 3.100 . 4.300 4.372 4.216 4.669 0.369 19 0 "[ . 1 . 2]" 1
2202 1 35 ASN HD21 1 37 PHE QE 2.800 . 3.800 2.675 2.542 2.858 . 0 0 "[ . 1 . 2]" 1
2203 1 35 ASN HD21 1 37 PHE HZ 3.200 . 4.500 3.110 2.415 3.408 . 0 0 "[ . 1 . 2]" 1
2204 1 10 LYS HA 1 35 ASN HD22 3.400 . 4.800 3.684 3.320 3.936 . 0 0 "[ . 1 . 2]" 1
2205 1 11 HIS HA 1 35 ASN HD22 3.000 . 4.100 3.341 2.969 3.708 . 0 0 "[ . 1 . 2]" 1
2206 1 24 LEU QD 1 35 ASN HD22 3.100 . 4.300 4.002 3.746 4.214 . 0 0 "[ . 1 . 2]" 1
2207 1 36 THR HA 1 37 PHE QD 2.900 . 3.900 3.662 3.495 3.918 0.018 5 0 "[ . 1 . 2]" 1
2208 1 36 THR MG 1 99 PHE QE 3.100 . 4.300 3.697 3.255 4.146 . 0 0 "[ . 1 . 2]" 1
2209 1 36 THR MG 1 99 PHE HZ 2.800 . 3.800 3.328 2.679 3.822 0.022 15 0 "[ . 1 . 2]" 1
2210 1 37 PHE HA 1 37 PHE QD 2.400 . 3.100 3.066 2.946 3.133 0.033 7 0 "[ . 1 . 2]" 1
2211 1 37 PHE HB2 1 37 PHE QD 2.600 . 3.400 2.438 2.389 2.484 . 0 0 "[ . 1 . 2]" 1
2212 1 37 PHE HB3 1 37 PHE QD 2.500 . 3.300 2.344 2.302 2.386 . 0 0 "[ . 1 . 2]" 1
2213 1 7 PHE QD 1 38 ILE MD 3.400 . 4.800 4.501 4.265 4.686 . 0 0 "[ . 1 . 2]" 1
2214 1 7 PHE QE 1 38 ILE MD 2.900 . 4.000 2.761 2.475 3.040 . 0 0 "[ . 1 . 2]" 1
2215 1 38 ILE MD 1 87 PHE QD 3.100 . 4.300 3.607 3.478 3.807 . 0 0 "[ . 1 . 2]" 1
2216 1 38 ILE MD 1 99 PHE QE 3.200 . 4.500 2.665 2.404 3.306 . 0 0 "[ . 1 . 2]" 1
2217 1 38 ILE MG 1 64 PHE QD 2.500 . 3.300 3.199 2.910 3.314 0.014 2 0 "[ . 1 . 2]" 1
2218 1 38 ILE MG 1 64 PHE QE 3.300 . 4.600 4.427 4.156 4.552 . 0 0 "[ . 1 . 2]" 1
2219 1 38 ILE MG 1 65 TYR QD 3.600 . 5.200 5.204 4.750 5.294 0.094 10 0 "[ . 1 . 2]" 1
2220 1 39 TYR HA 1 39 TYR QD 2.400 . 3.100 2.597 2.414 2.731 . 0 0 "[ . 1 . 2]" 1
2221 1 39 TYR HA 1 39 TYR QE 3.000 . 6.000 4.630 4.557 4.711 . 0 0 "[ . 1 . 2]" 1
2222 1 39 TYR HB2 1 39 TYR QD 2.500 . 3.300 2.559 2.496 2.643 . 0 0 "[ . 1 . 2]" 1
2223 1 39 TYR HB3 1 39 TYR QD 2.500 . 3.300 2.299 2.270 2.327 . 0 0 "[ . 1 . 2]" 1
2224 1 40 SER HB2 1 64 PHE QD 2.600 . 3.400 2.799 2.348 3.576 0.176 18 0 "[ . 1 . 2]" 1
2225 1 40 SER HB2 1 64 PHE QE 3.200 . 4.500 4.122 3.719 4.682 0.182 18 0 "[ . 1 . 2]" 1
2226 1 40 SER HB3 1 64 PHE QD 3.000 . 4.100 3.495 3.207 3.794 . 0 0 "[ . 1 . 2]" 1
2227 1 4 TRP HH2 1 42 PRO HA 2.800 . 3.800 2.702 2.617 2.760 . 0 0 "[ . 1 . 2]" 1
2228 1 4 TRP HZ2 1 42 PRO HA 3.000 . 4.100 2.983 2.613 3.324 . 0 0 "[ . 1 . 2]" 1
2229 1 4 TRP HZ3 1 42 PRO HA 3.400 . 4.900 4.944 4.892 5.013 0.113 18 0 "[ . 1 . 2]" 1
2230 1 4 TRP HH2 1 42 PRO HB2 3.200 . 4.500 3.986 3.653 4.368 . 0 0 "[ . 1 . 2]" 1
2231 1 4 TRP HZ2 1 42 PRO HB2 2.600 . 3.400 2.134 1.816 2.344 . 0 0 "[ . 1 . 2]" 1
2232 1 4 TRP HZ2 1 42 PRO HB3 2.400 . 3.100 2.935 2.656 3.146 0.046 4 0 "[ . 1 . 2]" 1
2233 1 4 TRP HZ2 1 43 GLU HA 3.200 . 4.500 3.923 3.547 4.364 . 0 0 "[ . 1 . 2]" 1
2234 1 45 VAL HA 1 64 PHE HZ 3.400 . 4.800 4.425 3.893 4.814 0.014 6 0 "[ . 1 . 2]" 1
2235 1 4 TRP HH2 1 45 VAL HB 2.800 . 3.700 2.415 2.169 2.732 . 0 0 "[ . 1 . 2]" 1
2236 1 4 TRP HZ2 1 45 VAL HB 3.500 . 5.000 4.248 3.898 4.630 . 0 0 "[ . 1 . 2]" 1
2237 1 4 TRP HH2 1 45 VAL MG1 2.700 . 3.600 2.777 2.503 3.024 . 0 0 "[ . 1 . 2]" 1
2238 1 4 TRP HZ2 1 45 VAL MG1 2.800 . 6.000 4.820 4.543 5.088 . 0 0 "[ . 1 . 2]" 1
2239 1 4 TRP HZ3 1 45 VAL MG1 2.600 . 3.400 2.821 2.623 3.029 . 0 0 "[ . 1 . 2]" 1
2240 1 7 PHE QE 1 45 VAL MG1 2.500 . 3.300 2.643 2.425 2.929 . 0 0 "[ . 1 . 2]" 1
2241 1 45 VAL MG1 1 87 PHE QE 3.200 . 4.500 2.808 2.517 3.116 . 0 0 "[ . 1 . 2]" 1
2242 1 45 VAL MG2 1 64 PHE QD 3.000 . 4.100 3.703 3.390 3.971 . 0 0 "[ . 1 . 2]" 1
2243 1 45 VAL MG2 1 64 PHE QE 2.900 . 3.900 3.385 2.975 3.749 . 0 0 "[ . 1 . 2]" 1
2244 1 45 VAL MG2 1 64 PHE HZ 3.400 . 4.900 4.474 4.233 4.914 0.014 18 0 "[ . 1 . 2]" 1
2245 1 45 VAL MG2 1 87 PHE QE 3.200 . 4.500 3.862 3.613 4.200 . 0 0 "[ . 1 . 2]" 1
2246 1 4 TRP HH2 1 46 LYS HB3 3.500 . 5.000 4.578 4.271 4.796 . 0 0 "[ . 1 . 2]" 1
2247 1 4 TRP HZ2 1 46 LYS HB3 2.900 . 3.900 3.874 3.708 3.965 0.065 7 0 "[ . 1 . 2]" 1
2248 1 4 TRP HH2 1 46 LYS HB2 3.000 . 4.200 3.060 2.722 3.285 . 0 0 "[ . 1 . 2]" 1
2249 1 4 TRP HZ2 1 46 LYS HB2 2.600 . 3.500 2.411 2.236 2.596 . 0 0 "[ . 1 . 2]" 1
2250 1 4 TRP HD1 1 46 LYS HE2 3.500 . 5.000 4.605 3.665 5.089 0.089 4 0 "[ . 1 . 2]" 1
2251 1 4 TRP HD1 1 46 LYS HE3 3.200 . 6.000 3.641 3.199 4.181 . 0 0 "[ . 1 . 2]" 1
2252 1 4 TRP HZ2 1 46 LYS HG2 2.900 . 6.000 5.218 4.923 5.410 . 0 0 "[ . 1 . 2]" 1
2253 1 48 ILE MD 1 87 PHE QE 2.800 . 3.800 2.543 2.301 3.030 . 0 0 "[ . 1 . 2]" 1
2254 1 48 ILE MD 1 87 PHE HZ 2.900 . 4.000 2.664 2.266 3.081 . 0 0 "[ . 1 . 2]" 1
2255 1 60 THR HB 1 64 PHE QE 2.500 . 3.300 2.122 1.804 2.613 . 0 0 "[ . 1 . 2]" 1
2256 1 60 THR MG 1 64 PHE QD 2.900 . 3.900 3.263 2.948 3.431 . 0 0 "[ . 1 . 2]" 1
2257 1 60 THR MG 1 87 PHE QD 2.900 . 3.900 3.151 2.762 3.450 . 0 0 "[ . 1 . 2]" 1
2258 1 60 THR MG 1 87 PHE QE 3.000 . 4.100 2.941 2.653 3.224 . 0 0 "[ . 1 . 2]" 1
2259 1 60 THR MG 1 87 PHE HZ 3.200 . 4.500 3.371 3.213 3.657 . 0 0 "[ . 1 . 2]" 1
2260 1 62 SER QB 1 64 PHE QD 3.300 . 4.600 4.358 4.101 4.650 0.050 12 0 "[ . 1 . 2]" 1
2261 1 62 SER QB 1 64 PHE QE 3.200 . 4.500 3.696 3.249 4.294 . 0 0 "[ . 1 . 2]" 1
2262 1 64 PHE HB2 1 64 PHE QD 2.300 . 3.000 2.494 2.451 2.561 . 0 0 "[ . 1 . 2]" 1
2263 1 64 PHE HB2 1 87 PHE QD 3.200 . 4.500 2.944 2.643 3.246 . 0 0 "[ . 1 . 2]" 1
2264 1 64 PHE HB3 1 64 PHE QD 2.500 . 3.300 2.312 2.292 2.339 . 0 0 "[ . 1 . 2]" 1
2265 1 64 PHE HB3 1 64 PHE QE 3.300 . 4.700 4.386 4.374 4.396 . 0 0 "[ . 1 . 2]" 1
2266 1 64 PHE HB3 1 87 PHE QE 2.900 . 3.900 2.791 2.585 3.136 . 0 0 "[ . 1 . 2]" 1
2267 1 65 TYR HA 1 65 TYR QD 2.400 . 3.100 2.633 2.443 2.817 . 0 0 "[ . 1 . 2]" 1
2268 1 39 TYR QD 1 65 TYR HB2 2.600 . 3.400 2.035 1.883 2.221 . 0 0 "[ . 1 . 2]" 1
2269 1 39 TYR QE 1 65 TYR HB2 3.200 . 4.500 4.341 4.184 4.498 . 0 0 "[ . 1 . 2]" 1
2270 1 65 TYR HB2 1 65 TYR QD 2.600 . 3.500 2.306 2.273 2.365 . 0 0 "[ . 1 . 2]" 1
2271 1 39 TYR QD 1 65 TYR HB3 2.700 . 3.600 2.960 2.673 3.337 . 0 0 "[ . 1 . 2]" 1
2272 1 65 TYR HB3 1 65 TYR QD 2.700 . 3.600 2.527 2.430 2.620 . 0 0 "[ . 1 . 2]" 1
2273 1 66 LEU MD1 1 87 PHE QD 2.700 . 3.600 2.462 2.180 2.723 . 0 0 "[ . 1 . 2]" 1
2274 1 64 PHE QD 1 66 LEU MD2 3.200 . 4.500 4.162 4.051 4.317 . 0 0 "[ . 1 . 2]" 1
2275 1 66 LEU MD2 1 87 PHE QD 2.500 . 3.300 2.184 1.950 2.728 . 0 0 "[ . 1 . 2]" 1
2276 1 37 PHE QD 1 67 SER HB3 3.300 . 4.600 4.443 4.189 4.633 0.033 10 0 "[ . 1 . 2]" 1
2277 1 65 TYR QD 1 84 THR HA 3.200 . 4.500 4.169 4.018 4.386 . 0 0 "[ . 1 . 2]" 1
2278 1 65 TYR QD 1 84 THR MG 2.600 . 3.400 2.873 2.567 3.210 . 0 0 "[ . 1 . 2]" 1
2279 1 65 TYR QE 1 84 THR MG 2.400 . 3.100 3.151 3.092 3.231 0.131 10 0 "[ . 1 . 2]" 1
2280 1 86 LYS HA 1 87 PHE QD 3.400 . 4.900 3.640 2.987 4.075 . 0 0 "[ . 1 . 2]" 1
2281 1 87 PHE HA 1 87 PHE QD 3.000 . 4.100 3.738 3.729 3.746 . 0 0 "[ . 1 . 2]" 1
2282 1 87 PHE HB2 1 87 PHE QD 2.400 . 3.100 2.461 2.337 2.578 . 0 0 "[ . 1 . 2]" 1
2283 1 87 PHE HB2 1 87 PHE QE 3.300 . 4.700 4.423 4.391 4.454 . 0 0 "[ . 1 . 2]" 1
2284 1 87 PHE HB3 1 87 PHE QD 2.300 . 3.000 2.335 2.269 2.457 . 0 0 "[ . 1 . 2]" 1
2285 1 7 PHE QE 1 89 VAL MG1 2.700 . 3.600 2.890 2.636 3.141 . 0 0 "[ . 1 . 2]" 1
2286 1 87 PHE QD 1 89 VAL MG1 2.400 . 3.100 1.758 1.677 1.872 0.023 19 0 "[ . 1 . 2]" 1
2287 1 87 PHE QE 1 89 VAL MG1 2.500 . 3.300 2.180 2.002 2.366 . 0 0 "[ . 1 . 2]" 1
2288 1 87 PHE QE 1 89 VAL MG2 2.900 . 4.000 3.094 2.810 3.325 . 0 0 "[ . 1 . 2]" 1
2289 1 90 THR MG 1 98 HIS HD2 3.400 . 4.800 3.509 2.123 4.854 0.054 13 0 "[ . 1 . 2]" 1
2290 1 4 TRP HZ3 1 96 PRO HA 3.400 . 4.900 4.959 4.915 5.045 0.145 10 0 "[ . 1 . 2]" 1
2291 1 7 PHE QE 1 96 PRO HB3 3.300 . 4.700 3.709 3.505 4.021 . 0 0 "[ . 1 . 2]" 1
2292 1 4 TRP HE3 1 96 PRO HB2 3.000 . 4.100 2.745 2.415 3.014 . 0 0 "[ . 1 . 2]" 1
2293 1 4 TRP HZ3 1 96 PRO HB2 3.200 . 4.500 2.293 2.204 2.420 . 0 0 "[ . 1 . 2]" 1
2294 1 7 PHE QD 1 96 PRO HB2 3.100 . 4.300 3.431 3.237 3.735 . 0 0 "[ . 1 . 2]" 1
2295 1 7 PHE QE 1 96 PRO HB2 3.300 . 4.700 3.385 3.251 3.502 . 0 0 "[ . 1 . 2]" 1
2296 1 4 TRP HE3 1 96 PRO HD2 2.800 . 3.800 2.616 2.123 2.760 . 0 0 "[ . 1 . 2]" 1
2297 1 4 TRP HE3 1 96 PRO HD3 2.800 . 6.000 4.289 3.889 4.404 . 0 0 "[ . 1 . 2]" 1
2298 1 4 TRP HZ3 1 96 PRO HD3 3.100 . 4.300 4.132 3.873 4.312 0.012 17 0 "[ . 1 . 2]" 1
2299 1 4 TRP HE3 1 96 PRO HG3 3.100 . 6.000 4.738 4.564 4.864 . 0 0 "[ . 1 . 2]" 1
2300 1 4 TRP HH2 1 96 PRO HG3 3.300 . 6.000 4.994 4.837 5.163 . 0 0 "[ . 1 . 2]" 1
2301 1 4 TRP HZ3 1 96 PRO HG3 2.700 . 3.600 3.712 3.651 3.759 0.159 20 0 "[ . 1 . 2]" 1
2302 1 7 PHE QE 1 96 PRO HG2 3.000 . 4.100 4.077 3.740 4.185 0.085 8 0 "[ . 1 . 2]" 1
2303 1 4 TRP HE3 1 97 VAL HA 3.200 . 4.500 4.086 3.749 4.528 0.028 10 0 "[ . 1 . 2]" 1
2304 1 7 PHE QD 1 97 VAL HA 2.600 . 3.500 3.571 3.512 3.624 0.124 8 0 "[ . 1 . 2]" 1
2305 1 97 VAL MG2 1 98 HIS HD2 2.500 . 3.300 1.918 1.672 3.123 0.028 15 0 "[ . 1 . 2]" 1
2306 1 7 PHE QD 1 98 HIS HA 3.100 . 4.300 3.193 2.808 4.003 . 0 0 "[ . 1 . 2]" 1
2307 1 98 HIS HB3 1 98 HIS HD2 3.300 . 4.600 3.861 3.511 3.981 . 0 0 "[ . 1 . 2]" 1
2308 1 98 HIS HB2 1 98 HIS HD2 3.000 . 4.100 2.962 2.671 3.852 . 0 0 "[ . 1 . 2]" 1
2309 1 7 PHE QE 1 99 PHE HA 2.800 . 3.800 2.696 2.444 3.222 . 0 0 "[ . 1 . 2]" 1
2310 1 99 PHE HB3 1 99 PHE QD 3.000 . 4.200 2.293 2.274 2.316 . 0 0 "[ . 1 . 2]" 1
2311 1 7 PHE QE 1 99 PHE HB2 2.800 . 3.800 2.291 1.837 2.614 . 0 0 "[ . 1 . 2]" 1
2312 1 11 HIS HD2 1 99 PHE HB2 3.500 . 5.000 3.828 3.368 4.920 . 0 0 "[ . 1 . 2]" 1
2313 1 99 PHE QD 1 101 GLY HA2 3.400 . 4.800 3.690 3.451 3.932 . 0 0 "[ . 1 . 2]" 1
2314 1 99 PHE QE 1 101 GLY HA2 3.300 . 4.600 2.748 2.488 3.263 . 0 0 "[ . 1 . 2]" 1
2315 1 99 PHE HZ 1 102 VAL HA 3.200 . 4.500 3.816 3.448 4.051 . 0 0 "[ . 1 . 2]" 1
2316 1 99 PHE HZ 1 102 VAL MG1 2.800 . 3.800 1.976 1.809 2.181 . 0 0 "[ . 1 . 2]" 1
2317 1 99 PHE QE 1 102 VAL MG2 3.000 . 6.000 4.924 4.708 5.099 . 0 0 "[ . 1 . 2]" 1
2318 1 25 SER H 1 28 LEU H 3.800 . 5.600 5.634 5.512 5.700 0.100 5 0 "[ . 1 . 2]" 1
2319 1 5 LEU HA 1 8 GLN H 2.700 . 3.600 2.445 2.383 2.487 . 0 0 "[ . 1 . 2]" 1
2320 1 41 ARG QH 1 42 PRO HB2 3.400 . 6.000 6.043 4.947 6.683 0.683 19 1 "[ . 1 . +2]" 1
2321 1 28 LEU H 1 30 HIS HA 4.000 . 6.000 4.404 4.087 4.577 . 0 0 "[ . 1 . 2]" 1
2322 1 62 SER H 1 63 GLU HB3 3.600 . 5.200 5.251 3.835 5.358 0.158 4 0 "[ . 1 . 2]" 1
2323 1 6 THR MG 1 9 LYS H 3.200 . 4.500 4.357 4.175 4.438 . 0 0 "[ . 1 . 2]" 1
2324 1 4 TRP HE3 1 7 PHE H 4.200 . 6.000 4.446 4.336 4.563 . 0 0 "[ . 1 . 2]" 1
2325 1 11 HIS HE2 1 99 PHE QD 4.200 . 6.000 3.955 3.656 4.418 . 0 0 "[ . 1 . 2]" 1
2326 1 14 ASN HB2 1 39 TYR QE 3.300 . 4.700 4.133 3.706 4.615 . 0 0 "[ . 1 . 2]" 1
2327 1 16 ARG HB3 1 39 TYR QE 3.100 . 6.000 4.296 4.110 4.537 . 0 0 "[ . 1 . 2]" 1
2328 1 64 PHE QD 1 66 LEU MD1 3.400 . 4.800 4.540 4.388 4.642 . 0 0 "[ . 1 . 2]" 1
2329 1 15 THR MG 1 37 PHE QD 3.200 . 4.500 3.858 3.724 3.952 . 0 0 "[ . 1 . 2]" 1
2330 1 13 THR MG 1 64 PHE QD 3.400 . 6.000 5.657 5.395 5.798 . 0 0 "[ . 1 . 2]" 1
2331 1 60 THR HB 1 64 PHE QD 2.400 . 3.100 2.913 2.852 2.963 . 0 0 "[ . 1 . 2]" 1
2332 1 10 LYS HD3 1 29 PHE QD 3.300 . 4.700 3.453 3.219 3.733 . 0 0 "[ . 1 . 2]" 1
2333 1 4 TRP HH2 1 45 VAL HA 3.100 . 6.000 4.656 4.021 4.993 . 0 0 "[ . 1 . 2]" 1
2334 1 24 LEU HG 1 29 PHE QD 3.200 . 4.500 3.928 3.136 4.202 . 0 0 "[ . 1 . 2]" 1
2335 1 4 TRP HD1 1 8 GLN HG3 3.400 . 4.900 4.438 4.058 4.699 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 98
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 72.322
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0235
_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 3 ASP 0.007 0.007 4 0 "[ . 1 . 2]"
1 4 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.241 0.052 20 0 "[ . 1 . 2]"
1 6 THR 0.205 0.063 2 0 "[ . 1 . 2]"
1 7 PHE 0.007 0.007 4 0 "[ . 1 . 2]"
1 8 GLN 0.025 0.012 15 0 "[ . 1 . 2]"
1 9 LYS 0.241 0.052 20 0 "[ . 1 . 2]"
1 10 LYS 0.205 0.063 2 0 "[ . 1 . 2]"
1 11 HIS 0.648 0.059 13 0 "[ . 1 . 2]"
1 12 ILE 0.025 0.012 15 0 "[ . 1 . 2]"
1 13 THR 0.212 0.065 12 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.019 0.017 12 0 "[ . 1 . 2]"
1 21 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.019 0.017 12 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.015 0.007 10 0 "[ . 1 . 2]"
1 37 PHE 0.083 0.048 14 0 "[ . 1 . 2]"
1 38 ILE 0.648 0.059 13 0 "[ . 1 . 2]"
1 39 TYR 0.863 0.064 3 0 "[ . 1 . 2]"
1 40 SER 0.212 0.065 12 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.580 0.079 2 0 "[ . 1 . 2]"
1 53 ILE 0.580 0.079 2 0 "[ . 1 . 2]"
1 56 LYS 0.047 0.024 19 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 THR 0.014 0.014 5 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 TYR 0.863 0.064 3 0 "[ . 1 . 2]"
1 66 LEU 0.053 0.033 17 0 "[ . 1 . 2]"
1 67 SER 0.083 0.048 14 0 "[ . 1 . 2]"
1 68 ASP 0.099 0.029 16 0 "[ . 1 . 2]"
1 69 CYS 0.015 0.007 10 0 "[ . 1 . 2]"
1 70 ASN 0.087 0.074 8 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.087 0.074 8 0 "[ . 1 . 2]"
1 81 LYS 0.099 0.029 16 0 "[ . 1 . 2]"
1 83 SER 0.053 0.033 17 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PHE 0.014 0.014 5 0 "[ . 1 . 2]"
1 88 CYS 0.408 0.053 4 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.009 0.009 1 0 "[ . 1 . 2]"
1 91 CYS 0.047 0.024 19 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.580 0.079 2 0 "[ . 1 . 2]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 HIS 0.009 0.009 1 0 "[ . 1 . 2]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLY 0.408 0.053 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ASP O 1 6 THR H 2.000 . 2.600 2.322 1.716 2.584 . 0 0 "[ . 1 . 2]" 2
2 1 3 ASP O 1 6 THR N 3.000 2.300 3.600 2.933 2.547 3.123 . 0 0 "[ . 1 . 2]" 2
3 1 3 ASP O 1 7 PHE H 2.000 . 2.600 1.789 1.693 2.000 0.007 4 0 "[ . 1 . 2]" 2
4 1 3 ASP O 1 7 PHE N 3.000 2.300 3.600 2.713 2.632 2.848 . 0 0 "[ . 1 . 2]" 2
5 1 4 TRP O 1 8 GLN H 2.000 . 2.600 1.964 1.826 2.162 . 0 0 "[ . 1 . 2]" 2
6 1 4 TRP O 1 8 GLN N 3.000 2.300 3.600 2.886 2.771 3.057 . 0 0 "[ . 1 . 2]" 2
7 1 5 LEU O 1 9 LYS H 2.000 . 2.600 2.517 2.228 2.652 0.052 20 0 "[ . 1 . 2]" 2
8 1 5 LEU O 1 9 LYS N 3.000 2.300 3.600 3.494 3.212 3.628 0.028 1 0 "[ . 1 . 2]" 2
9 1 6 THR O 1 10 LYS H 2.000 . 2.600 2.468 2.178 2.663 0.063 2 0 "[ . 1 . 2]" 2
10 1 6 THR O 1 10 LYS N 3.000 2.300 3.600 3.300 3.027 3.512 . 0 0 "[ . 1 . 2]" 2
11 1 7 PHE O 1 11 HIS H 2.000 . 2.600 2.213 1.883 2.443 . 0 0 "[ . 1 . 2]" 2
12 1 7 PHE O 1 11 HIS N 3.000 2.300 3.600 2.848 2.672 2.973 . 0 0 "[ . 1 . 2]" 2
13 1 8 GLN O 1 12 ILE H 2.000 . 2.600 1.749 1.688 1.895 0.012 15 0 "[ . 1 . 2]" 2
14 1 8 GLN O 1 12 ILE N 3.000 2.300 3.600 2.667 2.617 2.746 . 0 0 "[ . 1 . 2]" 2
15 1 13 THR H 1 38 ILE O 2.000 . 2.600 2.053 1.971 2.156 . 0 0 "[ . 1 . 2]" 2
16 1 13 THR N 1 38 ILE O 3.000 2.700 3.600 3.022 2.948 3.134 . 0 0 "[ . 1 . 2]" 2
17 1 19 ASP O 1 23 ILE H 2.000 . 2.600 1.894 1.741 2.210 . 0 0 "[ . 1 . 2]" 2
18 1 19 ASP O 1 23 ILE N 3.000 2.300 3.600 2.853 2.716 3.124 . 0 0 "[ . 1 . 2]" 2
19 1 20 CYS O 1 24 LEU H 2.000 . 2.600 1.819 1.683 1.991 0.017 12 0 "[ . 1 . 2]" 2
20 1 20 CYS O 1 24 LEU N 3.000 2.300 3.600 2.742 2.586 2.905 . 0 0 "[ . 1 . 2]" 2
21 1 21 ASP O 1 25 SER H 2.000 . 2.600 2.230 2.012 2.575 . 0 0 "[ . 1 . 2]" 2
22 1 21 ASP O 1 25 SER N 3.000 2.300 3.600 3.005 2.808 3.325 . 0 0 "[ . 1 . 2]" 2
23 1 35 ASN H 1 69 CYS O 2.000 . 2.600 1.891 1.732 2.329 . 0 0 "[ . 1 . 2]" 2
24 1 35 ASN N 1 69 CYS O 3.000 2.700 3.600 2.780 2.696 3.023 0.004 10 0 "[ . 1 . 2]" 2
25 1 37 PHE H 1 67 SER O 2.000 . 2.600 1.780 1.695 1.878 0.005 14 0 "[ . 1 . 2]" 2
26 1 37 PHE N 1 67 SER O 3.000 2.700 3.600 2.742 2.652 2.830 0.048 14 0 "[ . 1 . 2]" 2
27 1 11 HIS O 1 38 ILE H 2.000 . 2.600 1.768 1.703 1.849 . 0 0 "[ . 1 . 2]" 2
28 1 11 HIS O 1 38 ILE N 3.000 2.700 3.600 2.668 2.641 2.690 0.059 13 0 "[ . 1 . 2]" 2
29 1 39 TYR H 1 65 TYR O 2.000 . 2.600 1.751 1.679 1.801 0.021 3 0 "[ . 1 . 2]" 2
30 1 39 TYR N 1 65 TYR O 3.000 2.700 3.600 2.677 2.636 2.725 0.064 3 0 "[ . 1 . 2]" 2
31 1 13 THR O 1 40 SER H 2.000 . 2.600 2.536 2.207 2.665 0.065 12 0 "[ . 1 . 2]" 2
32 1 13 THR O 1 40 SER N 3.000 2.700 3.600 3.366 3.054 3.540 . 0 0 "[ . 1 . 2]" 2
33 1 41 ARG O 1 45 VAL H 2.000 . 2.600 2.350 2.232 2.420 . 0 0 "[ . 1 . 2]" 2
34 1 41 ARG O 1 45 VAL N 3.000 2.300 3.600 3.020 2.895 3.101 . 0 0 "[ . 1 . 2]" 2
35 1 42 PRO O 1 46 LYS H 2.000 . 2.600 1.834 1.734 2.005 . 0 0 "[ . 1 . 2]" 2
36 1 42 PRO O 1 46 LYS N 3.000 2.300 3.600 2.581 2.520 2.696 . 0 0 "[ . 1 . 2]" 2
37 1 43 GLU O 1 47 ALA H 2.000 . 2.600 1.978 1.819 2.220 . 0 0 "[ . 1 . 2]" 2
38 1 43 GLU O 1 47 ALA N 3.000 2.300 3.600 2.754 2.578 2.920 . 0 0 "[ . 1 . 2]" 2
39 1 45 VAL O 1 48 ILE H 2.000 . 2.600 2.361 2.261 2.463 . 0 0 "[ . 1 . 2]" 2
40 1 45 VAL O 1 48 ILE N 3.000 2.300 3.600 3.218 3.120 3.303 . 0 0 "[ . 1 . 2]" 2
41 1 46 LYS O 1 49 CYS H 2.000 . 2.600 2.128 1.982 2.278 . 0 0 "[ . 1 . 2]" 2
42 1 46 LYS O 1 49 CYS N 3.000 2.300 3.600 2.957 2.847 3.042 . 0 0 "[ . 1 . 2]" 2
43 1 47 ALA O 1 50 LYS H 2.000 . 2.600 2.286 2.060 2.476 . 0 0 "[ . 1 . 2]" 2
44 1 47 ALA O 1 50 LYS N 3.000 2.700 3.600 3.194 2.989 3.385 . 0 0 "[ . 1 . 2]" 2
45 1 49 CYS O 1 52 ILE H 2.000 . 2.600 2.035 1.865 2.229 . 0 0 "[ . 1 . 2]" 2
46 1 49 CYS O 1 52 ILE N 3.000 2.700 3.600 2.954 2.800 3.110 . 0 0 "[ . 1 . 2]" 2
47 1 56 LYS H 1 91 CYS O 2.000 . 2.600 1.849 1.788 1.982 . 0 0 "[ . 1 . 2]" 2
48 1 56 LYS N 1 91 CYS O 3.000 2.700 3.600 2.797 2.736 2.894 . 0 0 "[ . 1 . 2]" 2
49 1 58 VAL H 1 89 VAL O 2.000 . 2.600 1.899 1.785 2.027 . 0 0 "[ . 1 . 2]" 2
50 1 58 VAL N 1 89 VAL O 3.000 2.700 3.600 2.872 2.760 3.007 . 0 0 "[ . 1 . 2]" 2
51 1 60 THR H 1 87 PHE O 2.000 . 2.600 2.199 2.050 2.391 . 0 0 "[ . 1 . 2]" 2
52 1 60 THR N 1 87 PHE O 3.000 2.700 3.600 3.068 2.934 3.235 . 0 0 "[ . 1 . 2]" 2
53 1 64 PHE H 1 85 ASN O 2.000 . 2.600 1.856 1.770 2.057 . 0 0 "[ . 1 . 2]" 2
54 1 64 PHE N 1 85 ASN O 3.000 2.700 3.600 2.799 2.724 2.945 . 0 0 "[ . 1 . 2]" 2
55 1 39 TYR O 1 65 TYR H 2.000 . 3.600 3.601 3.497 3.662 0.062 18 0 "[ . 1 . 2]" 2
56 1 39 TYR O 1 65 TYR N 3.000 2.700 4.600 4.361 4.288 4.435 . 0 0 "[ . 1 . 2]" 2
57 1 66 LEU H 1 83 SER O 2.000 . 2.600 1.885 1.756 2.051 . 0 0 "[ . 1 . 2]" 2
58 1 66 LEU N 1 83 SER O 3.000 2.700 3.600 2.750 2.667 2.906 0.033 17 0 "[ . 1 . 2]" 2
59 1 37 PHE O 1 67 SER H 2.000 . 2.600 1.842 1.759 1.896 . 0 0 "[ . 1 . 2]" 2
60 1 37 PHE O 1 67 SER N 3.000 2.700 3.600 2.812 2.724 2.875 . 0 0 "[ . 1 . 2]" 2
61 1 68 ASP H 1 81 LYS O 2.000 . 2.600 1.798 1.697 1.922 0.003 16 0 "[ . 1 . 2]" 2
62 1 68 ASP N 1 81 LYS O 3.000 2.700 3.600 2.750 2.671 2.876 0.029 16 0 "[ . 1 . 2]" 2
63 1 35 ASN O 1 69 CYS H 2.000 . 2.600 1.917 1.729 2.097 . 0 0 "[ . 1 . 2]" 2
64 1 35 ASN O 1 69 CYS N 3.000 2.700 3.600 2.868 2.693 3.074 0.007 10 0 "[ . 1 . 2]" 2
65 1 70 ASN H 1 79 LYS O 2.000 . 2.600 2.320 1.980 2.674 0.074 8 0 "[ . 1 . 2]" 2
66 1 70 ASN N 1 79 LYS O 3.000 2.700 3.600 3.283 2.942 3.611 0.011 8 0 "[ . 1 . 2]" 2
67 1 33 ASP O 1 71 VAL H 2.000 . 2.600 2.021 1.859 2.206 . 0 0 "[ . 1 . 2]" 2
68 1 33 ASP O 1 71 VAL N 3.000 2.700 3.600 2.886 2.744 3.000 . 0 0 "[ . 1 . 2]" 2
69 1 74 ARG O 1 77 LYS H 2.000 . 2.600 2.205 1.982 2.434 . 0 0 "[ . 1 . 2]" 2
70 1 74 ARG O 1 77 LYS N 3.000 2.700 3.600 3.088 2.855 3.357 . 0 0 "[ . 1 . 2]" 2
71 1 70 ASN O 1 79 LYS H 2.000 . 2.600 1.985 1.753 2.437 . 0 0 "[ . 1 . 2]" 2
72 1 70 ASN O 1 79 LYS N 3.000 2.700 3.600 2.924 2.698 3.312 0.002 18 0 "[ . 1 . 2]" 2
73 1 68 ASP O 1 81 LYS H 2.000 . 2.600 2.341 2.050 2.624 0.024 15 0 "[ . 1 . 2]" 2
74 1 68 ASP O 1 81 LYS N 3.000 2.700 3.600 2.941 2.757 3.121 . 0 0 "[ . 1 . 2]" 2
75 1 66 LEU O 1 83 SER H 2.000 . 2.600 1.928 1.776 2.164 . 0 0 "[ . 1 . 2]" 2
76 1 66 LEU O 1 83 SER N 3.000 2.700 3.600 2.907 2.756 3.143 . 0 0 "[ . 1 . 2]" 2
77 1 64 PHE O 1 85 ASN H 2.000 . 2.600 2.186 1.986 2.412 . 0 0 "[ . 1 . 2]" 2
78 1 64 PHE O 1 85 ASN N 3.000 2.700 3.600 3.061 2.892 3.267 . 0 0 "[ . 1 . 2]" 2
79 1 60 THR OG1 1 87 PHE H 2.000 . 2.600 1.912 1.719 2.035 . 0 0 "[ . 1 . 2]" 2
80 1 60 THR OG1 1 87 PHE N 3.000 2.700 3.600 2.863 2.686 2.981 0.014 5 0 "[ . 1 . 2]" 2
81 1 88 CYS H 1 101 GLY O 2.000 . 2.600 1.716 1.676 1.794 0.024 4 0 "[ . 1 . 2]" 2
82 1 88 CYS N 1 101 GLY O 3.000 2.700 3.600 2.689 2.647 2.742 0.053 4 0 "[ . 1 . 2]" 2
83 1 58 VAL O 1 89 VAL H 2.000 . 2.600 1.972 1.897 2.105 . 0 0 "[ . 1 . 2]" 2
84 1 58 VAL O 1 89 VAL N 3.000 2.700 3.600 2.858 2.816 2.932 . 0 0 "[ . 1 . 2]" 2
85 1 90 THR H 1 98 HIS O 2.000 . 2.600 1.810 1.728 1.888 . 0 0 "[ . 1 . 2]" 2
86 1 90 THR N 1 98 HIS O 3.000 2.700 3.600 2.758 2.691 2.818 0.009 1 0 "[ . 1 . 2]" 2
87 1 56 LYS O 1 91 CYS H 2.000 . 2.600 1.796 1.729 1.875 . 0 0 "[ . 1 . 2]" 2
88 1 56 LYS O 1 91 CYS N 3.000 2.700 3.600 2.736 2.676 2.818 0.024 19 0 "[ . 1 . 2]" 2
89 1 92 GLU H 1 95 ALA O 2.000 . 2.600 1.939 1.743 2.060 . 0 0 "[ . 1 . 2]" 2
90 1 92 GLU N 1 95 ALA O 3.000 2.700 3.600 2.921 2.727 3.042 . 0 0 "[ . 1 . 2]" 2
91 1 52 ILE O 1 94 GLN H 2.000 . 2.600 1.780 1.718 1.833 . 0 0 "[ . 1 . 2]" 2
92 1 52 ILE O 1 94 GLN N 3.000 2.700 3.600 2.672 2.621 2.720 0.079 2 0 "[ . 1 . 2]" 2
93 1 92 GLU O 1 95 ALA H 2.000 . 2.600 2.221 2.085 2.372 . 0 0 "[ . 1 . 2]" 2
94 1 92 GLU O 1 95 ALA N 3.000 2.700 3.600 3.099 3.005 3.279 . 0 0 "[ . 1 . 2]" 2
95 1 90 THR O 1 97 VAL H 2.000 . 2.600 2.018 1.787 2.259 . 0 0 "[ . 1 . 2]" 2
96 1 90 THR O 1 97 VAL N 3.000 2.700 3.600 2.968 2.765 3.190 . 0 0 "[ . 1 . 2]" 2
97 1 88 CYS O 1 100 VAL H 2.000 . 2.600 1.997 1.922 2.065 . 0 0 "[ . 1 . 2]" 2
98 1 88 CYS O 1 100 VAL N 3.000 2.700 3.600 2.795 2.747 2.834 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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