NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
640466 |
6e9m   |
30505 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6e9m
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 1187
_Distance_constraint_stats_list.Viol_count 2922
_Distance_constraint_stats_list.Viol_total 6156.831
_Distance_constraint_stats_list.Viol_max 0.960
_Distance_constraint_stats_list.Viol_rms 0.0569
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0130
_Distance_constraint_stats_list.Viol_average_violations_only 0.1054
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 3.822 0.514 9 7 "[** -** *+1 . 2]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 TRP 2.319 0.125 19 0 "[ . 1 . 2]"
1 5 GLU 1.365 0.348 20 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.186 0.077 9 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 1.296 0.086 7 0 "[ . 1 . 2]"
1 11 CYS 2.160 0.340 5 0 "[ . 1 . 2]"
1 12 ASN 7.361 0.459 17 0 "[ . 1 . 2]"
1 13 THR 1.692 0.256 11 0 "[ . 1 . 2]"
1 14 GLY 0.874 0.221 18 0 "[ . 1 . 2]"
1 15 LYS 5.145 0.462 5 0 "[ . 1 . 2]"
1 16 LEU 9.598 0.340 5 0 "[ . 1 . 2]"
1 17 ALA 2.712 0.159 3 0 "[ . 1 . 2]"
1 18 CYS 2.664 0.477 4 0 "[ . 1 . 2]"
1 19 CYS 6.460 0.743 5 1 "[ + 1 . 2]"
1 20 ASP 2.094 0.222 9 0 "[ . 1 . 2]"
1 21 THR 2.237 0.169 5 0 "[ . 1 . 2]"
1 22 ASN 0.031 0.018 1 0 "[ . 1 . 2]"
1 23 LYS 3.728 0.430 15 0 "[ . 1 . 2]"
1 24 LYS 6.600 0.538 12 1 "[ . 1 + . 2]"
1 25 VAL 3.668 0.322 9 0 "[ . 1 . 2]"
1 26 GLN 3.920 0.334 11 0 "[ . 1 . 2]"
1 27 LYS 11.461 0.713 3 5 "[ + . * * * . -]"
1 28 SER 3.099 0.441 3 0 "[ . 1 . 2]"
1 29 THR 2.497 0.236 6 0 "[ . 1 . 2]"
1 30 GLY 1.133 0.144 18 0 "[ . 1 . 2]"
1 31 GLU 12.915 0.723 7 4 "[ * . + 1 *. -]"
1 32 GLU 3.393 0.446 8 0 "[ . 1 . 2]"
1 33 SER 2.109 0.223 11 0 "[ . 1 . 2]"
1 34 GLY 6.001 0.404 9 0 "[ . 1 . 2]"
1 35 LEU 7.645 0.404 9 0 "[ . 1 . 2]"
1 36 LEU 9.377 0.414 2 0 "[ . 1 . 2]"
1 37 HIS 0.144 0.044 15 0 "[ . 1 . 2]"
1 38 THR 1.054 0.107 7 0 "[ . 1 . 2]"
1 39 GLY 1.086 0.134 10 0 "[ . 1 . 2]"
1 40 ASP 4.211 0.386 14 0 "[ . 1 . 2]"
1 41 VAL 6.351 0.386 14 0 "[ . 1 . 2]"
1 42 LEU 8.731 0.620 17 1 "[ . 1 . + 2]"
1 43 ASP 7.879 0.672 15 1 "[ . 1 + 2]"
1 44 GLN 11.776 0.260 19 0 "[ . 1 . 2]"
1 45 VAL 8.752 0.216 13 0 "[ . 1 . 2]"
1 46 ALA 5.929 0.216 13 0 "[ . 1 . 2]"
1 47 ILE 19.011 0.743 5 2 "[ + 1 - . 2]"
1 48 GLN 8.825 0.322 9 0 "[ . 1 . 2]"
1 49 CYS 4.417 0.278 5 0 "[ . 1 . 2]"
1 50 THR 6.091 0.168 10 0 "[ . 1 . 2]"
1 51 GLN 4.401 0.459 15 0 "[ . 1 . 2]"
1 52 ILE 3.992 0.173 2 0 "[ . 1 . 2]"
1 53 PRO 1.967 0.142 12 0 "[ . 1 . 2]"
1 54 LEU 7.426 0.683 8 8 "[ ** .* + 1- * * *2]"
1 55 LEU 1.911 0.150 12 0 "[ . 1 . 2]"
1 56 ILE 14.053 0.480 7 0 "[ . 1 . 2]"
1 57 GLY 7.245 0.304 15 0 "[ . 1 . 2]"
1 58 ILE 8.798 0.198 8 0 "[ . 1 . 2]"
1 59 ALA 8.059 0.198 8 0 "[ . 1 . 2]"
1 60 ILE 13.422 0.960 12 6 "[ * *** 1 + -. 2]"
1 61 GLU 7.854 0.960 12 6 "[ * *** 1 + -. 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 1.464 0.459 15 0 "[ . 1 . 2]"
1 64 CYS 3.384 0.173 2 0 "[ . 1 . 2]"
1 65 LYS 22.767 0.944 8 10 "[** * + 1-* *** *2]"
1 66 ASN 7.935 0.944 8 8 "[ * * + 1-* ** *2]"
1 67 THR 9.939 0.365 19 0 "[ . 1 . 2]"
1 68 PRO 12.357 0.576 12 5 "[ * . - * + . *]"
1 69 THR 4.123 0.227 1 0 "[ . 1 . 2]"
1 70 CYS 1.962 0.200 5 0 "[ . 1 . 2]"
1 71 CYS 1.490 0.254 12 0 "[ . 1 . 2]"
1 72 GLU 5.919 0.637 16 1 "[ . 1 .+ 2]"
1 73 ASP 2.218 0.223 11 0 "[ . 1 . 2]"
1 74 VAL 7.968 0.462 5 0 "[ . 1 . 2]"
1 75 GLU 1.539 0.234 3 0 "[ . 1 . 2]"
1 76 ASP 2.220 0.161 17 0 "[ . 1 . 2]"
1 77 ASP 2.439 0.146 1 0 "[ . 1 . 2]"
1 78 GLY 4.342 0.181 5 0 "[ . 1 . 2]"
1 79 LEU 5.513 0.226 6 0 "[ . 1 . 2]"
1 80 VAL 1.807 0.286 16 0 "[ . 1 . 2]"
1 81 GLY 1.066 0.116 18 0 "[ . 1 . 2]"
1 82 ILE 7.443 0.270 16 0 "[ . 1 . 2]"
1 83 ASN 4.806 0.637 16 1 "[ . 1 .+ 2]"
1 84 CYS 2.360 0.254 12 0 "[ . 1 . 2]"
1 85 THR 3.025 0.278 3 0 "[ . 1 . 2]"
1 86 PRO 10.449 0.810 3 5 "[ + * *1 -*. 2]"
1 87 ILE 6.910 0.230 13 0 "[ . 1 . 2]"
1 88 PRO 8.829 0.346 12 0 "[ . 1 . 2]"
1 89 LEU 3.422 0.215 12 0 "[ . 1 . 2]"
1 90 ILE 5.364 0.183 9 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 12 ASN HA 1 12 ASN QB 1.997 . 2.496 2.186 2.156 2.308 . 0 0 "[ . 1 . 2]" 1
2 1 45 VAL HA 1 45 VAL QG 1.988 . 2.482 2.182 2.128 2.312 . 0 0 "[ . 1 . 2]" 1
3 1 35 LEU QB 1 35 LEU MD2 1.759 . 2.146 1.928 1.871 1.976 . 0 0 "[ . 1 . 2]" 1
4 1 8 THR HA 1 8 THR MG 2.000 . 2.500 2.002 1.938 2.105 . 0 0 "[ . 1 . 2]" 1
5 1 45 VAL HB 1 45 VAL QG 1.887 . 2.332 1.889 1.866 1.899 . 0 0 "[ . 1 . 2]" 1
6 1 35 LEU HA 1 36 LEU H 2.167 . 2.754 2.766 2.722 2.809 0.055 20 0 "[ . 1 . 2]" 1
7 1 40 ASP HB2 1 41 VAL QG 2.986 . 4.101 3.867 3.290 4.280 0.179 4 0 "[ . 1 . 2]" 1
8 1 68 PRO QB 1 68 PRO HD2 2.801 . 3.781 3.388 3.176 3.487 . 0 0 "[ . 1 . 2]" 1
9 1 55 LEU HB3 1 55 LEU QD 2.061 . 2.592 2.140 2.106 2.439 . 0 0 "[ . 1 . 2]" 1
10 1 41 VAL HB 1 41 VAL QG 2.002 . 2.503 1.898 1.891 1.901 . 0 0 "[ . 1 . 2]" 1
11 1 65 LYS QB 1 65 LYS QG 2.375 . 3.080 2.001 1.987 2.011 . 0 0 "[ . 1 . 2]" 1
12 1 44 GLN HA 1 44 GLN QB 2.319 . 2.991 2.291 2.261 2.356 . 0 0 "[ . 1 . 2]" 1
13 1 25 VAL HA 1 25 VAL QG 2.019 . 2.528 2.145 2.110 2.161 . 0 0 "[ . 1 . 2]" 1
14 1 42 LEU HA 1 42 LEU HB3 2.111 . 2.668 2.491 2.266 2.773 0.105 14 0 "[ . 1 . 2]" 1
15 1 42 LEU HA 1 42 LEU QD 2.134 . 2.703 2.070 1.881 2.450 . 0 0 "[ . 1 . 2]" 1
16 1 7 LYS QE 1 7 LYS QG 2.479 . 3.247 2.280 2.104 2.361 . 0 0 "[ . 1 . 2]" 1
17 1 48 GLN QB 1 48 GLN QG 2.323 . 2.964 2.005 1.986 2.017 . 0 0 "[ . 1 . 2]" 1
18 1 25 VAL HB 1 25 VAL QG 2.011 . 2.516 1.893 1.891 1.895 . 0 0 "[ . 1 . 2]" 1
19 1 33 SER HA 1 33 SER QB 2.068 . 2.603 2.325 2.183 2.422 . 0 0 "[ . 1 . 2]" 1
20 1 12 ASN QB 1 12 ASN HD22 2.766 . 3.722 3.303 3.212 3.471 . 0 0 "[ . 1 . 2]" 1
21 1 9 GLY H 1 9 GLY QA 2.650 . 3.528 2.225 2.207 2.279 . 0 0 "[ . 1 . 2]" 1
22 1 90 ILE H 1 90 ILE MD 3.015 . 4.151 2.962 2.863 3.087 . 0 0 "[ . 1 . 2]" 1
23 1 41 VAL QG 1 42 LEU H 2.540 . 3.347 3.362 3.243 3.483 0.136 15 0 "[ . 1 . 2]" 1
24 1 9 GLY QA 1 10 SER H 2.711 . 3.629 2.864 2.798 2.916 . 0 0 "[ . 1 . 2]" 1
25 1 33 SER H 1 33 SER QB 2.802 . 3.783 2.462 2.252 2.622 . 0 0 "[ . 1 . 2]" 1
26 1 48 GLN H 1 48 GLN QG 3.029 2.330 4.176 3.816 3.055 4.037 . 0 0 "[ . 1 . 2]" 1
27 1 44 GLN QB 1 44 GLN HE21 3.376 . 4.801 2.740 1.877 3.731 0.074 4 0 "[ . 1 . 2]" 1
28 1 83 ASN QB 1 83 ASN HD22 2.761 . 3.714 3.208 3.195 3.220 . 0 0 "[ . 1 . 2]" 1
29 1 35 LEU QD 1 36 LEU H 3.271 . 4.608 3.881 3.254 4.250 . 0 0 "[ . 1 . 2]" 1
30 1 83 ASN H 1 83 ASN QB 3.068 . 4.245 3.262 3.220 3.310 . 0 0 "[ . 1 . 2]" 1
31 1 42 LEU QB 1 43 ASP H 2.808 . 3.794 3.231 2.645 3.446 . 0 0 "[ . 1 . 2]" 1
32 1 17 ALA HA 1 17 ALA MB 2.062 . 2.594 2.131 2.126 2.141 . 0 0 "[ . 1 . 2]" 1
33 1 17 ALA H 1 17 ALA MB 2.563 . 3.384 2.572 2.347 2.759 . 0 0 "[ . 1 . 2]" 1
34 1 18 CYS HA 1 19 CYS H 2.300 . 2.961 2.173 2.138 2.200 . 0 0 "[ . 1 . 2]" 1
35 1 18 CYS H 1 18 CYS HA 2.911 . 3.970 2.898 2.880 2.932 . 0 0 "[ . 1 . 2]" 1
36 1 18 CYS H 1 18 CYS HB3 2.832 . 3.835 3.559 2.630 3.655 . 0 0 "[ . 1 . 2]" 1
37 1 18 CYS H 1 18 CYS HB2 3.256 . 4.581 2.470 2.141 2.588 . 0 0 "[ . 1 . 2]" 1
38 1 12 ASN HA 1 12 ASN HB2 2.219 . 2.834 2.527 2.375 3.022 0.188 11 0 "[ . 1 . 2]" 1
39 1 43 ASP H 1 43 ASP HA 2.360 . 3.056 2.855 2.793 2.924 . 0 0 "[ . 1 . 2]" 1
40 1 77 ASP H 1 77 ASP HB3 2.942 . 4.024 3.133 2.461 3.620 . 0 0 "[ . 1 . 2]" 1
41 1 78 GLY HA2 1 79 LEU H 3.149 . 4.389 3.026 2.984 3.076 . 0 0 "[ . 1 . 2]" 1
42 1 81 GLY H 1 81 GLY HA3 2.428 . 3.165 2.393 2.354 2.433 . 0 0 "[ . 1 . 2]" 1
43 1 81 GLY HA3 1 82 ILE H 2.487 . 3.260 3.028 2.950 3.191 . 0 0 "[ . 1 . 2]" 1
44 1 81 GLY HA2 1 82 ILE H 2.249 . 2.881 2.158 2.102 2.196 . 0 0 "[ . 1 . 2]" 1
45 1 81 GLY H 1 81 GLY HA2 2.656 . 3.538 2.935 2.918 2.950 . 0 0 "[ . 1 . 2]" 1
46 1 37 HIS HA 1 37 HIS HB3 2.780 . 3.746 2.616 2.310 3.030 . 0 0 "[ . 1 . 2]" 1
47 1 13 THR HA 1 13 THR HB 2.389 . 3.102 2.551 2.463 2.667 . 0 0 "[ . 1 . 2]" 1
48 1 13 THR HA 1 14 GLY H 2.980 . 4.090 3.480 3.398 3.522 . 0 0 "[ . 1 . 2]" 1
49 1 4 TRP HA 1 4 TRP HB3 2.905 . 3.960 2.566 2.494 2.651 . 0 0 "[ . 1 . 2]" 1
50 1 60 ILE MD 1 60 ILE MG 2.477 . 3.244 2.807 1.801 3.240 . 0 0 "[ . 1 . 2]" 1
51 1 60 ILE HG13 1 60 ILE MG 2.327 . 3.004 2.742 2.465 3.216 0.212 6 0 "[ . 1 . 2]" 1
52 1 60 ILE HB 1 60 ILE MG 2.221 . 2.837 2.121 2.109 2.130 . 0 0 "[ . 1 . 2]" 1
53 1 79 LEU H 1 79 LEU HA 2.597 . 3.440 2.889 2.862 2.914 . 0 0 "[ . 1 . 2]" 1
54 1 69 THR HB 1 84 CYS HB2 2.651 . 3.529 3.331 3.160 3.552 0.023 1 0 "[ . 1 . 2]" 1
55 1 69 THR MG 1 84 CYS HB2 2.673 . 3.566 3.471 3.200 3.793 0.227 1 0 "[ . 1 . 2]" 1
56 1 47 ILE MD 1 84 CYS HB2 2.446 . 3.194 2.041 1.825 2.920 . 0 0 "[ . 1 . 2]" 1
57 1 69 THR MG 1 84 CYS HB3 2.612 . 3.465 2.890 2.287 3.235 . 0 0 "[ . 1 . 2]" 1
58 1 47 ILE MD 1 84 CYS HB3 2.645 . 3.520 2.795 2.070 3.070 . 0 0 "[ . 1 . 2]" 1
59 1 71 CYS QB 1 74 VAL QG 2.657 . 3.539 2.095 1.793 2.470 0.039 10 0 "[ . 1 . 2]" 1
60 1 87 ILE HB 1 87 ILE MD 2.356 . 3.050 2.376 2.340 2.411 . 0 0 "[ . 1 . 2]" 1
61 1 87 ILE MD 1 87 ILE HG13 2.155 . 2.736 2.120 2.118 2.122 . 0 0 "[ . 1 . 2]" 1
62 1 68 PRO HB3 1 87 ILE MD 2.596 . 3.438 3.355 2.843 3.525 0.087 3 0 "[ . 1 . 2]" 1
63 1 10 SER QB 1 87 ILE MD 2.651 . 3.530 2.635 1.917 3.425 . 0 0 "[ . 1 . 2]" 1
64 1 69 THR H 1 87 ILE MD 2.998 . 4.121 3.938 3.687 4.161 0.040 5 0 "[ . 1 . 2]" 1
65 1 45 VAL HA 1 46 ALA MB 2.861 . 3.884 3.968 3.920 4.025 0.141 9 0 "[ . 1 . 2]" 1
66 1 45 VAL HA 1 45 VAL HB 2.459 . 3.215 2.856 2.414 3.031 . 0 0 "[ . 1 . 2]" 1
67 1 45 VAL HA 1 46 ALA H 1.974 . 2.461 2.107 2.078 2.156 . 0 0 "[ . 1 . 2]" 1
68 1 45 VAL H 1 45 VAL HA 2.590 . 3.429 2.922 2.892 2.948 . 0 0 "[ . 1 . 2]" 1
69 1 50 THR HA 1 51 GLN HB2 2.991 . 4.109 4.150 4.028 4.277 0.168 10 0 "[ . 1 . 2]" 1
70 1 50 THR H 1 50 THR HA 2.666 . 3.555 2.861 2.839 2.893 . 0 0 "[ . 1 . 2]" 1
71 1 50 THR HA 1 51 GLN H 2.140 . 2.712 2.179 2.069 2.289 . 0 0 "[ . 1 . 2]" 1
72 1 89 LEU HA 1 89 LEU MD2 1.904 . 2.357 2.112 2.064 2.179 . 0 0 "[ . 1 . 2]" 1
73 1 58 ILE MD 1 58 ILE HG12 2.458 . 3.213 2.122 2.119 2.124 . 0 0 "[ . 1 . 2]" 1
74 1 58 ILE HB 1 58 ILE MD 2.463 . 3.222 3.229 3.224 3.233 0.011 16 0 "[ . 1 . 2]" 1
75 1 58 ILE MD 1 59 ALA MB 2.418 . 3.149 3.259 3.194 3.347 0.198 8 0 "[ . 1 . 2]" 1
76 1 58 ILE MD 1 58 ILE HG13 2.217 . 2.831 2.123 2.120 2.124 . 0 0 "[ . 1 . 2]" 1
77 1 65 LYS HD2 1 65 LYS HE2 2.193 . 2.794 2.622 2.420 3.015 0.221 6 0 "[ . 1 . 2]" 1
78 1 65 LYS QB 1 65 LYS HD2 2.258 . 2.895 2.909 2.428 3.513 0.618 12 6 "[** * - 1 + .* 2]" 1
79 1 83 ASN HA 1 83 ASN QB 2.361 . 3.058 2.440 2.417 2.470 . 0 0 "[ . 1 . 2]" 1
80 1 45 VAL HB 1 83 ASN HA 2.807 . 3.792 2.969 2.084 3.972 0.180 8 0 "[ . 1 . 2]" 1
81 1 83 ASN HA 1 84 CYS H 2.295 . 2.953 2.694 2.547 2.832 . 0 0 "[ . 1 . 2]" 1
82 1 85 THR HA 1 86 PRO HG3 2.905 . 3.960 4.057 3.986 4.238 0.278 3 0 "[ . 1 . 2]" 1
83 1 85 THR HA 1 85 THR HB 2.423 . 3.157 3.025 3.015 3.033 . 0 0 "[ . 1 . 2]" 1
84 1 85 THR HA 1 86 PRO HD2 2.092 . 2.639 2.560 2.146 2.670 0.031 15 0 "[ . 1 . 2]" 1
85 1 85 THR HA 1 85 THR MG 2.108 . 2.664 2.319 2.193 2.378 . 0 0 "[ . 1 . 2]" 1
86 1 85 THR H 1 85 THR HA 2.695 . 3.603 2.903 2.864 2.951 . 0 0 "[ . 1 . 2]" 1
87 1 50 THR HA 1 50 THR MG 2.374 . 3.079 3.203 3.184 3.210 0.131 3 0 "[ . 1 . 2]" 1
88 1 47 ILE HB 1 47 ILE HG12 2.678 . 3.574 3.027 3.023 3.030 . 0 0 "[ . 1 . 2]" 1
89 1 47 ILE HB 1 47 ILE HG13 2.797 . 3.775 2.455 2.435 2.467 . 0 0 "[ . 1 . 2]" 1
90 1 47 ILE HB 1 47 ILE MD 2.447 . 3.195 2.418 2.377 2.461 . 0 0 "[ . 1 . 2]" 1
91 1 75 GLU HA 1 75 GLU HB3 2.355 . 3.048 2.947 2.559 3.030 . 0 0 "[ . 1 . 2]" 1
92 1 15 LYS HA 1 15 LYS HB3 2.167 . 2.754 2.524 2.456 2.698 . 0 0 "[ . 1 . 2]" 1
93 1 15 LYS HA 1 15 LYS HG2 2.267 . 2.909 2.502 2.350 2.671 . 0 0 "[ . 1 . 2]" 1
94 1 75 GLU HA 1 76 ASP H 2.357 . 3.051 2.388 2.312 2.448 . 0 0 "[ . 1 . 2]" 1
95 1 15 LYS HA 1 16 LEU H 2.119 . 2.680 2.265 2.228 2.298 . 0 0 "[ . 1 . 2]" 1
96 1 35 LEU HA 1 35 LEU HG 2.810 . 3.797 2.928 2.411 3.700 . 0 0 "[ . 1 . 2]" 1
97 1 55 LEU HA 1 55 LEU HG 2.638 . 3.508 3.101 2.457 3.658 0.150 12 0 "[ . 1 . 2]" 1
98 1 88 PRO HB2 1 90 ILE HG12 2.889 . 3.932 2.215 2.008 2.610 . 0 0 "[ . 1 . 2]" 1
99 1 58 ILE MG 1 63 GLU HB3 2.579 . 3.411 3.247 2.400 3.441 0.030 3 0 "[ . 1 . 2]" 1
100 1 68 PRO HB2 1 87 ILE HG13 2.838 . 3.845 2.240 1.949 2.533 . 0 0 "[ . 1 . 2]" 1
101 1 88 PRO HB2 1 88 PRO HD3 2.773 . 3.734 3.849 3.828 3.992 0.258 12 0 "[ . 1 . 2]" 1
102 1 88 PRO HB2 1 88 PRO HD2 2.668 . 3.558 2.889 2.785 3.904 0.346 12 0 "[ . 1 . 2]" 1
103 1 88 PRO HB2 1 89 LEU H 2.975 . 4.081 3.281 2.742 3.527 . 0 0 "[ . 1 . 2]" 1
104 1 63 GLU H 1 63 GLU HB3 2.615 . 3.470 2.597 2.513 2.980 . 0 0 "[ . 1 . 2]" 1
105 1 51 GLN HE22 1 63 GLU HB3 2.823 . 3.819 2.891 2.277 3.823 0.004 12 0 "[ . 1 . 2]" 1
106 1 90 ILE HB 1 90 ILE MG 2.462 . 3.220 2.128 2.127 2.129 . 0 0 "[ . 1 . 2]" 1
107 1 90 ILE H 1 90 ILE HB 2.757 . 3.707 3.768 3.720 3.807 0.100 19 0 "[ . 1 . 2]" 1
108 1 47 ILE H 1 47 ILE HG12 2.916 . 3.979 2.103 1.960 2.280 . 0 0 "[ . 1 . 2]" 1
109 1 38 THR HB 1 38 THR MG 2.143 . 2.717 2.135 2.132 2.138 . 0 0 "[ . 1 . 2]" 1
110 1 13 THR HA 1 13 THR MG 2.446 . 3.194 2.277 2.181 2.388 . 0 0 "[ . 1 . 2]" 1
111 1 38 THR HA 1 38 THR MG 1.987 . 2.480 2.279 2.160 2.388 . 0 0 "[ . 1 . 2]" 1
112 1 84 CYS HA 1 84 CYS HB2 2.812 . 3.801 2.988 2.793 3.023 . 0 0 "[ . 1 . 2]" 1
113 1 84 CYS HA 1 84 CYS HB3 2.627 . 3.490 2.502 2.423 2.877 . 0 0 "[ . 1 . 2]" 1
114 1 84 CYS H 1 84 CYS HA 2.935 . 4.012 2.883 2.839 2.913 . 0 0 "[ . 1 . 2]" 1
115 1 84 CYS HA 1 85 THR H 2.234 . 2.858 2.174 2.120 2.216 . 0 0 "[ . 1 . 2]" 1
116 1 72 GLU H 1 84 CYS HA 2.857 . 3.877 3.751 3.418 3.906 0.029 4 0 "[ . 1 . 2]" 1
117 1 87 ILE HB 1 87 ILE HG13 2.689 . 3.593 2.517 2.485 2.555 . 0 0 "[ . 1 . 2]" 1
118 1 87 ILE HB 1 88 PRO HD3 2.565 . 3.388 3.243 2.611 3.451 0.063 13 0 "[ . 1 . 2]" 1
119 1 87 ILE H 1 87 ILE HB 2.614 . 3.468 3.579 3.536 3.616 0.148 14 0 "[ . 1 . 2]" 1
120 1 58 ILE HA 1 59 ALA MB 2.811 . 3.799 3.862 3.824 3.915 0.116 14 0 "[ . 1 . 2]" 1
121 1 58 ILE HA 1 58 ILE HG12 2.706 . 3.621 2.439 2.396 2.546 . 0 0 "[ . 1 . 2]" 1
122 1 58 ILE HA 1 58 ILE HB 2.295 . 2.953 2.887 2.872 2.915 . 0 0 "[ . 1 . 2]" 1
123 1 58 ILE HA 1 58 ILE HG13 2.717 . 3.640 3.514 3.501 3.523 . 0 0 "[ . 1 . 2]" 1
124 1 58 ILE HA 1 58 ILE MG 2.252 . 2.886 2.892 2.847 2.931 0.045 13 0 "[ . 1 . 2]" 1
125 1 58 ILE HA 1 58 ILE MD 2.500 . 3.281 1.941 1.848 2.016 . 0 0 "[ . 1 . 2]" 1
126 1 58 ILE HA 1 59 ALA H 1.974 . 2.461 2.224 2.146 2.321 . 0 0 "[ . 1 . 2]" 1
127 1 58 ILE H 1 58 ILE HA 2.596 . 3.438 2.919 2.882 2.932 . 0 0 "[ . 1 . 2]" 1
128 1 15 LYS HB2 1 71 CYS QB 2.970 . 4.073 2.947 2.651 3.513 . 0 0 "[ . 1 . 2]" 1
129 1 71 CYS H 1 71 CYS QB 2.622 . 3.482 2.491 2.339 2.542 . 0 0 "[ . 1 . 2]" 1
130 1 71 CYS QB 1 82 ILE H 3.015 . 3.872 2.659 2.595 2.756 . 0 0 "[ . 1 . 2]" 1
131 1 71 CYS QB 1 72 GLU H 2.969 . 3.968 2.929 2.672 3.082 . 0 0 "[ . 1 . 2]" 1
132 1 71 CYS QB 1 73 ASP H 2.819 . 3.536 2.573 2.246 2.793 . 0 0 "[ . 1 . 2]" 1
133 1 67 THR MG 1 86 PRO HA 2.515 . 3.306 3.051 2.865 3.298 . 0 0 "[ . 1 . 2]" 1
134 1 12 ASN HB2 1 13 THR MG 2.864 . 3.889 3.796 2.647 4.037 0.148 10 0 "[ . 1 . 2]" 1
135 1 12 ASN HB2 1 12 ASN HD22 3.011 . 4.144 3.908 3.451 4.053 . 0 0 "[ . 1 . 2]" 1
136 1 67 THR MG 1 68 PRO HG2 2.780 . 3.746 3.811 3.649 3.952 0.206 8 0 "[ . 1 . 2]" 1
137 1 20 ASP HA 1 20 ASP QB 2.634 . 3.236 2.440 2.376 2.517 . 0 0 "[ . 1 . 2]" 1
138 1 20 ASP H 1 20 ASP HA 2.521 . 3.315 2.931 2.914 2.942 . 0 0 "[ . 1 . 2]" 1
139 1 21 THR HA 1 47 ILE MG 2.175 . 2.766 2.225 2.096 2.401 . 0 0 "[ . 1 . 2]" 1
140 1 47 ILE HB 1 47 ILE MG 1.982 . 2.473 2.121 2.114 2.127 . 0 0 "[ . 1 . 2]" 1
141 1 47 ILE HA 1 47 ILE MG 2.239 . 2.866 2.239 2.187 2.298 . 0 0 "[ . 1 . 2]" 1
142 1 47 ILE MG 1 48 GLN H 2.606 . 3.455 3.482 3.382 3.559 0.104 10 0 "[ . 1 . 2]" 1
143 1 86 PRO HA 1 86 PRO HD3 2.817 . 3.809 3.768 3.612 3.845 0.036 4 0 "[ . 1 . 2]" 1
144 1 86 PRO HA 1 86 PRO HB3 2.235 . 2.859 2.276 2.220 2.298 . 0 0 "[ . 1 . 2]" 1
145 1 86 PRO HA 1 86 PRO HB2 2.558 . 3.376 2.905 2.684 2.968 . 0 0 "[ . 1 . 2]" 1
146 1 69 THR MG 1 86 PRO HA 2.234 . 2.858 1.999 1.911 2.295 . 0 0 "[ . 1 . 2]" 1
147 1 69 THR HA 1 86 PRO HA 2.259 . 2.897 2.262 2.027 2.395 . 0 0 "[ . 1 . 2]" 1
148 1 86 PRO HA 1 87 ILE H 2.077 . 2.616 2.141 2.119 2.159 . 0 0 "[ . 1 . 2]" 1
149 1 45 VAL H 1 45 VAL HB 2.348 . 3.037 2.675 2.536 2.970 . 0 0 "[ . 1 . 2]" 1
150 1 76 ASP HB2 1 79 LEU HG 2.810 . 3.797 3.764 3.141 3.958 0.161 17 0 "[ . 1 . 2]" 1
151 1 76 ASP HB2 1 79 LEU HB2 2.940 . 4.021 2.820 2.270 3.526 . 0 0 "[ . 1 . 2]" 1
152 1 76 ASP H 1 76 ASP HB2 2.998 . 4.121 3.416 3.115 3.605 . 0 0 "[ . 1 . 2]" 1
153 1 53 PRO HA 1 54 LEU HG 2.854 . 3.872 3.800 3.536 3.939 0.067 8 0 "[ . 1 . 2]" 1
154 1 53 PRO HA 1 53 PRO HB3 2.393 . 3.109 2.296 2.253 2.338 . 0 0 "[ . 1 . 2]" 1
155 1 53 PRO HA 1 53 PRO HB2 2.546 . 3.356 2.950 2.847 3.005 . 0 0 "[ . 1 . 2]" 1
156 1 53 PRO HA 1 54 LEU H 2.158 . 2.740 2.131 2.089 2.181 . 0 0 "[ . 1 . 2]" 1
157 1 23 LYS HD2 1 23 LYS QE 2.121 . 2.683 2.330 2.154 2.404 . 0 0 "[ . 1 . 2]" 1
158 1 23 LYS HA 1 23 LYS HD2 3.691 2.786 4.596 4.089 2.356 4.884 0.430 15 0 "[ . 1 . 2]" 1
159 1 24 LYS HA 1 24 LYS QD 2.787 . 3.758 2.965 2.166 3.974 0.216 12 0 "[ . 1 . 2]" 1
160 1 84 CYS H 1 84 CYS HB2 2.565 . 3.387 2.468 2.142 2.551 . 0 0 "[ . 1 . 2]" 1
161 1 27 LYS HD2 1 27 LYS HE2 2.158 . 2.740 2.820 2.430 3.015 0.275 14 0 "[ . 1 . 2]" 1
162 1 27 LYS HE2 1 27 LYS QG 2.783 2.131 3.435 2.700 2.297 3.377 . 0 0 "[ . 1 . 2]" 1
163 1 27 LYS HB3 1 27 LYS HE2 2.495 . 3.273 2.776 1.858 3.770 0.497 3 0 "[ . 1 . 2]" 1
164 1 87 ILE H 1 87 ILE HG13 2.754 . 3.702 2.439 2.201 2.566 . 0 0 "[ . 1 . 2]" 1
165 1 24 LYS QB 1 24 LYS HG3 2.375 . 3.080 2.322 2.122 2.451 . 0 0 "[ . 1 . 2]" 1
166 1 24 LYS H 1 24 LYS QB 2.498 . 3.278 2.534 2.205 3.133 . 0 0 "[ . 1 . 2]" 1
167 1 29 THR HB 1 29 THR MG 2.075 . 2.613 2.135 2.130 2.138 . 0 0 "[ . 1 . 2]" 1
168 1 60 ILE HA 1 60 ILE HG13 2.736 . 3.672 2.814 2.404 3.102 . 0 0 "[ . 1 . 2]" 1
169 1 60 ILE HA 1 60 ILE HB 2.461 . 3.218 2.454 2.415 2.486 . 0 0 "[ . 1 . 2]" 1
170 1 60 ILE HA 1 60 ILE MD 2.851 . 3.867 2.640 2.061 3.813 . 0 0 "[ . 1 . 2]" 1
171 1 51 GLN HE21 1 60 ILE HA 2.823 . 3.819 3.635 3.103 3.967 0.148 3 0 "[ . 1 . 2]" 1
172 1 51 GLN HE22 1 60 ILE HA 2.843 . 3.853 3.505 2.890 4.028 0.175 12 0 "[ . 1 . 2]" 1
173 1 23 LYS QE 1 23 LYS QG 2.078 . 2.618 2.370 2.126 2.627 0.009 1 0 "[ . 1 . 2]" 1
174 1 26 GLN HA 1 26 GLN QB 2.202 . 2.808 2.317 2.155 2.419 . 0 0 "[ . 1 . 2]" 1
175 1 15 LYS H 1 15 LYS HG2 2.942 . 4.024 3.796 3.551 4.364 0.340 17 0 "[ . 1 . 2]" 1
176 1 47 ILE MD 1 47 ILE HG12 2.432 . 3.171 2.120 2.117 2.124 . 0 0 "[ . 1 . 2]" 1
177 1 56 ILE HB 1 56 ILE MD 2.351 . 3.042 2.444 2.294 3.208 0.166 14 0 "[ . 1 . 2]" 1
178 1 56 ILE MD 1 56 ILE HG12 2.122 . 2.685 2.116 2.111 2.119 . 0 0 "[ . 1 . 2]" 1
179 1 56 ILE MD 1 56 ILE HG13 2.013 . 2.520 2.119 2.110 2.121 . 0 0 "[ . 1 . 2]" 1
180 1 15 LYS HA 1 15 LYS HB2 2.888 . 3.930 3.018 2.964 3.029 . 0 0 "[ . 1 . 2]" 1
181 1 15 LYS H 1 15 LYS HB2 2.903 . 3.956 2.423 2.252 2.611 . 0 0 "[ . 1 . 2]" 1
182 1 89 LEU HB3 1 89 LEU MD1 2.133 . 2.702 2.365 2.337 2.417 . 0 0 "[ . 1 . 2]" 1
183 1 42 LEU HA 1 42 LEU HB2 2.270 . 2.914 2.826 2.394 3.008 0.094 2 0 "[ . 1 . 2]" 1
184 1 36 LEU H 1 36 LEU HB2 2.552 . 3.366 2.445 2.182 2.955 . 0 0 "[ . 1 . 2]" 1
185 1 76 ASP HA 1 76 ASP HB2 2.513 . 3.302 2.916 2.622 3.036 . 0 0 "[ . 1 . 2]" 1
186 1 76 ASP H 1 76 ASP HA 2.204 . 2.811 2.272 2.263 2.279 . 0 0 "[ . 1 . 2]" 1
187 1 9 GLY H 1 9 GLY HA3 2.665 . 3.553 2.876 2.847 2.933 . 0 0 "[ . 1 . 2]" 1
188 1 82 ILE HA 1 82 ILE MG 2.101 . 2.653 2.611 2.547 2.673 0.020 19 0 "[ . 1 . 2]" 1
189 1 82 ILE MG 1 83 ASN QB 2.391 . 3.105 2.299 2.206 2.374 . 0 0 "[ . 1 . 2]" 1
190 1 44 GLN HB3 1 82 ILE MG 2.273 . 2.919 1.834 1.764 1.936 . 0 0 "[ . 1 . 2]" 1
191 1 82 ILE HB 1 82 ILE MG 1.911 . 2.368 2.118 2.110 2.123 . 0 0 "[ . 1 . 2]" 1
192 1 82 ILE MG 1 83 ASN H 2.429 . 3.166 2.922 2.733 3.035 . 0 0 "[ . 1 . 2]" 1
193 1 82 ILE H 1 82 ILE MG 2.658 . 3.541 3.630 3.579 3.668 0.127 17 0 "[ . 1 . 2]" 1
194 1 73 ASP H 1 82 ILE MG 2.690 . 3.595 3.004 2.655 3.332 . 0 0 "[ . 1 . 2]" 1
195 1 86 PRO HB3 1 86 PRO HG3 2.285 . 2.937 2.301 2.204 2.332 . 0 0 "[ . 1 . 2]" 1
196 1 67 THR MG 1 86 PRO HB3 2.358 . 3.053 2.244 1.945 2.425 . 0 0 "[ . 1 . 2]" 1
197 1 69 THR MG 1 86 PRO HB3 2.890 . 3.934 2.906 2.166 3.354 . 0 0 "[ . 1 . 2]" 1
198 1 86 PRO HB3 1 86 PRO HD2 2.911 . 3.970 3.865 3.828 3.933 . 0 0 "[ . 1 . 2]" 1
199 1 86 PRO HB3 1 87 ILE H 2.854 . 3.872 3.783 3.550 4.102 0.230 13 0 "[ . 1 . 2]" 1
200 1 20 ASP QB 1 23 LYS QG 2.948 . 4.034 2.783 1.978 3.316 . 0 0 "[ . 1 . 2]" 1
201 1 20 ASP H 1 20 ASP QB 2.650 . 3.528 2.369 2.251 2.477 . 0 0 "[ . 1 . 2]" 1
202 1 67 THR HA 1 68 PRO HG3 3.012 . 4.146 4.185 4.136 4.221 0.075 11 0 "[ . 1 . 2]" 1
203 1 67 THR HA 1 67 THR HB 2.692 . 3.598 3.023 3.016 3.029 . 0 0 "[ . 1 . 2]" 1
204 1 67 THR HA 1 68 PRO HD2 2.101 . 2.653 2.257 2.124 2.360 . 0 0 "[ . 1 . 2]" 1
205 1 67 THR HA 1 67 THR MG 2.244 . 2.873 2.271 2.214 2.343 . 0 0 "[ . 1 . 2]" 1
206 1 67 THR H 1 67 THR HA 2.796 . 3.773 2.892 2.864 2.947 . 0 0 "[ . 1 . 2]" 1
207 1 24 LYS HA 1 24 LYS HG3 2.990 . 4.108 2.994 2.362 4.192 0.084 4 0 "[ . 1 . 2]" 1
208 1 24 LYS HA 1 24 LYS QB 2.425 . 3.160 2.346 2.115 2.457 . 0 0 "[ . 1 . 2]" 1
209 1 24 LYS HA 1 24 LYS HG2 2.893 . 3.939 3.552 3.175 4.194 0.255 1 0 "[ . 1 . 2]" 1
210 1 24 LYS HA 1 47 ILE MG 2.332 . 3.012 2.529 2.114 3.042 0.030 1 0 "[ . 1 . 2]" 1
211 1 24 LYS HA 1 25 VAL H 2.144 . 2.719 2.332 2.260 2.428 . 0 0 "[ . 1 . 2]" 1
212 1 24 LYS HA 1 47 ILE HA 2.435 . 3.176 2.007 1.732 2.252 . 0 0 "[ . 1 . 2]" 1
213 1 24 LYS H 1 24 LYS HA 2.752 . 3.699 2.922 2.884 2.946 . 0 0 "[ . 1 . 2]" 1
214 1 51 GLN HA 1 51 GLN HB2 2.125 . 2.689 2.621 2.478 2.831 0.142 2 0 "[ . 1 . 2]" 1
215 1 51 GLN H 1 51 GLN HA 2.615 . 3.470 2.936 2.930 2.943 . 0 0 "[ . 1 . 2]" 1
216 1 51 GLN HA 1 52 ILE H 1.968 . 2.452 2.121 2.076 2.261 . 0 0 "[ . 1 . 2]" 1
217 1 85 THR HB 1 85 THR MG 2.157 . 2.738 2.136 2.134 2.138 . 0 0 "[ . 1 . 2]" 1
218 1 85 THR H 1 85 THR HB 2.655 . 3.536 2.588 2.519 2.667 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS HD3 1 15 LYS QE 2.315 . 2.985 2.258 2.149 2.395 . 0 0 "[ . 1 . 2]" 1
220 1 15 LYS QE 1 15 LYS HG2 2.038 . 2.557 2.404 2.294 2.980 0.423 15 0 "[ . 1 . 2]" 1
221 1 15 LYS QE 1 74 VAL QG 2.856 . 3.876 3.228 2.195 3.711 . 0 0 "[ . 1 . 2]" 1
222 1 15 LYS QE 1 73 ASP HA 2.607 . 3.456 2.869 2.005 3.405 . 0 0 "[ . 1 . 2]" 1
223 1 11 CYS HB3 1 16 LEU MD1 2.672 . 3.564 2.356 2.004 3.436 . 0 0 "[ . 1 . 2]" 1
224 1 86 PRO HD3 1 86 PRO HG2 2.064 . 2.597 2.704 2.643 2.947 0.350 3 0 "[ . 1 . 2]" 1
225 1 68 PRO HB3 1 68 PRO HD3 2.497 . 3.276 3.483 3.279 3.852 0.576 12 5 "[ * . - * + . *]" 1
226 1 86 PRO HD3 1 86 PRO HG3 2.275 . 2.922 2.289 2.197 2.316 . 0 0 "[ . 1 . 2]" 1
227 1 68 PRO HD3 1 68 PRO HG3 2.469 . 3.231 2.257 2.245 2.268 . 0 0 "[ . 1 . 2]" 1
228 1 67 THR MG 1 68 PRO HD3 2.321 . 2.995 3.220 3.115 3.360 0.365 19 0 "[ . 1 . 2]" 1
229 1 85 THR HA 1 86 PRO HD3 1.930 . 2.395 1.899 1.832 2.102 . 0 0 "[ . 1 . 2]" 1
230 1 68 PRO HA 1 68 PRO HD3 2.964 . 4.062 3.793 3.674 3.858 . 0 0 "[ . 1 . 2]" 1
231 1 52 ILE HA 1 52 ILE MG 2.367 . 3.067 2.494 2.391 2.594 . 0 0 "[ . 1 . 2]" 1
232 1 27 LYS HA 1 27 LYS HB3 2.246 . 2.877 2.465 2.284 2.542 . 0 0 "[ . 1 . 2]" 1
233 1 27 LYS HA 1 27 LYS QG 2.920 2.188 3.652 2.795 2.321 3.433 . 0 0 "[ . 1 . 2]" 1
234 1 49 CYS HB2 1 79 LEU HA 2.950 . 4.038 3.489 2.533 4.167 0.129 14 0 "[ . 1 . 2]" 1
235 1 79 LEU HA 1 79 LEU HB3 2.151 . 2.730 2.462 2.376 2.549 . 0 0 "[ . 1 . 2]" 1
236 1 27 LYS HA 1 28 SER H 2.622 . 3.481 2.191 2.099 2.372 . 0 0 "[ . 1 . 2]" 1
237 1 49 CYS H 1 79 LEU HA 2.851 . 3.867 3.001 2.801 3.425 . 0 0 "[ . 1 . 2]" 1
238 1 79 LEU HA 1 80 VAL H 2.886 . 3.927 3.431 3.367 3.498 . 0 0 "[ . 1 . 2]" 1
239 1 77 ASP HA 1 77 ASP HB2 2.246 . 2.877 2.778 2.424 3.023 0.146 1 0 "[ . 1 . 2]" 1
240 1 77 ASP HA 1 77 ASP HB3 2.374 . 3.079 2.748 2.495 3.032 . 0 0 "[ . 1 . 2]" 1
241 1 54 LEU HA 1 54 LEU MD1 3.441 2.868 4.014 3.745 3.492 3.896 . 0 0 "[ . 1 . 2]" 1
242 1 54 LEU HA 1 55 LEU H 2.383 . 3.093 2.141 2.108 2.182 . 0 0 "[ . 1 . 2]" 1
243 1 74 VAL QG 1 81 GLY HA3 2.690 . 3.595 2.800 2.400 3.567 . 0 0 "[ . 1 . 2]" 1
244 1 74 VAL HA 1 81 GLY HA3 2.901 . 3.953 3.885 3.722 4.069 0.116 18 0 "[ . 1 . 2]" 1
245 1 46 ALA HA 1 47 ILE MG 3.024 . 4.167 4.161 3.998 4.245 0.078 1 0 "[ . 1 . 2]" 1
246 1 46 ALA HA 1 47 ILE H 2.591 . 3.430 2.143 2.117 2.184 . 0 0 "[ . 1 . 2]" 1
247 1 74 VAL HB 1 74 VAL QG 2.208 . 2.817 1.893 1.889 1.896 . 0 0 "[ . 1 . 2]" 1
248 1 74 VAL HB 1 78 GLY HA2 2.816 . 3.807 2.885 2.040 3.186 . 0 0 "[ . 1 . 2]" 1
249 1 74 VAL H 1 74 VAL HB 2.835 . 3.840 3.262 3.066 3.921 0.081 8 0 "[ . 1 . 2]" 1
250 1 74 VAL HB 1 75 GLU H 2.774 . 3.736 3.566 2.507 3.833 0.097 3 0 "[ . 1 . 2]" 1
251 1 74 VAL HA 1 74 VAL HB 2.583 . 3.417 2.905 2.401 3.010 . 0 0 "[ . 1 . 2]" 1
252 1 10 SER QB 1 87 ILE MG 2.509 . 3.296 2.148 1.836 3.082 . 0 0 "[ . 1 . 2]" 1
253 1 70 CYS HB2 1 87 ILE MG 2.531 . 3.332 2.422 1.905 3.181 . 0 0 "[ . 1 . 2]" 1
254 1 87 ILE HB 1 87 ILE MG 1.992 . 2.488 2.124 2.117 2.128 . 0 0 "[ . 1 . 2]" 1
255 1 69 THR HB 1 84 CYS HB3 2.477 . 3.244 2.056 1.894 2.327 . 0 0 "[ . 1 . 2]" 1
256 1 69 THR HB 1 69 THR MG 2.392 . 3.107 2.132 2.124 2.138 . 0 0 "[ . 1 . 2]" 1
257 1 69 THR HB 1 70 CYS H 2.543 . 3.352 2.783 2.570 3.116 . 0 0 "[ . 1 . 2]" 1
258 1 58 ILE MG 1 62 ASP QB 2.731 . 3.663 3.073 2.322 3.622 . 0 0 "[ . 1 . 2]" 1
259 1 58 ILE MG 1 63 GLU QG 2.623 . 3.483 2.819 2.367 3.207 . 0 0 "[ . 1 . 2]" 1
260 1 58 ILE HB 1 58 ILE MG 2.002 . 2.503 2.123 2.119 2.129 . 0 0 "[ . 1 . 2]" 1
261 1 58 ILE MG 1 59 ALA MB 2.476 . 3.242 3.370 3.316 3.420 0.178 9 0 "[ . 1 . 2]" 1
262 1 58 ILE HG13 1 58 ILE MG 2.378 . 3.085 2.358 2.303 2.398 . 0 0 "[ . 1 . 2]" 1
263 1 58 ILE MG 1 59 ALA H 2.552 . 3.366 2.200 2.066 2.424 . 0 0 "[ . 1 . 2]" 1
264 1 8 THR HA 1 9 GLY H 2.913 . 3.974 3.406 3.209 3.498 . 0 0 "[ . 1 . 2]" 1
265 1 22 ASN HA 1 23 LYS H 2.771 . 3.731 3.318 3.171 3.529 . 0 0 "[ . 1 . 2]" 1
266 1 22 ASN H 1 22 ASN HA 2.494 . 3.272 2.931 2.910 2.944 . 0 0 "[ . 1 . 2]" 1
267 1 89 LEU MD2 1 89 LEU HG 1.982 . 2.473 2.127 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
268 1 73 ASP QB 1 82 ILE MG 2.981 . 4.092 2.716 2.309 2.902 . 0 0 "[ . 1 . 2]" 1
269 1 73 ASP QB 1 74 VAL H 2.957 . 4.050 3.193 2.334 3.506 . 0 0 "[ . 1 . 2]" 1
270 1 58 ILE HB 1 59 ALA H 2.922 . 3.989 4.068 4.015 4.145 0.156 4 0 "[ . 1 . 2]" 1
271 1 58 ILE H 1 58 ILE HB 2.529 . 3.328 2.270 2.125 2.367 . 0 0 "[ . 1 . 2]" 1
272 1 19 CYS HB2 1 47 ILE MD 2.523 . 3.319 2.466 2.267 3.219 . 0 0 "[ . 1 . 2]" 1
273 1 19 CYS HB2 1 69 THR MG 2.723 . 3.650 2.205 2.053 2.787 . 0 0 "[ . 1 . 2]" 1
274 1 74 VAL HA 1 74 VAL QG 2.474 . 3.239 2.156 2.104 2.378 . 0 0 "[ . 1 . 2]" 1
275 1 74 VAL HA 1 75 GLU H 2.451 . 3.202 2.203 2.119 2.352 . 0 0 "[ . 1 . 2]" 1
276 1 82 ILE HG12 1 82 ILE MG 2.297 . 2.956 2.251 2.207 2.301 . 0 0 "[ . 1 . 2]" 1
277 1 82 ILE HB 1 82 ILE HG12 2.522 . 3.317 2.507 2.488 2.524 . 0 0 "[ . 1 . 2]" 1
278 1 89 LEU H 1 89 LEU HA 2.369 . 3.071 2.911 2.877 2.929 . 0 0 "[ . 1 . 2]" 1
279 1 36 LEU HA 1 36 LEU HB2 2.070 . 2.605 2.799 2.441 3.019 0.414 2 0 "[ . 1 . 2]" 1
280 1 36 LEU HA 1 36 LEU QD . 2.219 2.592 2.100 1.863 2.563 0.356 6 0 "[ . 1 . 2]" 1
281 1 18 CYS HA 1 18 CYS HB2 2.718 . 3.641 2.998 2.569 3.029 . 0 0 "[ . 1 . 2]" 1
282 1 29 THR HA 1 29 THR MG 2.281 . 2.932 2.281 2.190 2.343 . 0 0 "[ . 1 . 2]" 1
283 1 46 ALA MB 1 47 ILE H 2.713 . 3.633 3.329 2.997 3.486 . 0 0 "[ . 1 . 2]" 1
284 1 25 VAL H 1 46 ALA MB 2.872 . 3.903 3.170 2.975 3.490 . 0 0 "[ . 1 . 2]" 1
285 1 46 ALA HA 1 46 ALA MB 2.422 . 3.155 2.127 2.121 2.131 . 0 0 "[ . 1 . 2]" 1
286 1 46 ALA H 1 46 ALA MB 2.444 . 3.191 2.335 2.277 2.451 . 0 0 "[ . 1 . 2]" 1
287 1 13 THR HB 1 13 THR MG 2.160 . 2.743 2.136 2.132 2.142 . 0 0 "[ . 1 . 2]" 1
288 1 23 LYS HA 1 23 LYS QB 2.317 . 2.988 2.409 2.216 2.517 . 0 0 "[ . 1 . 2]" 1
289 1 23 LYS HA 1 23 LYS QG 2.387 . 3.099 2.445 2.183 3.162 0.063 20 0 "[ . 1 . 2]" 1
290 1 23 LYS HA 1 24 LYS H 1.978 . 2.467 2.132 2.063 2.208 . 0 0 "[ . 1 . 2]" 1
291 1 23 LYS H 1 23 LYS HA 2.640 . 3.511 2.929 2.856 2.944 . 0 0 "[ . 1 . 2]" 1
292 1 67 THR HB 1 67 THR MG 2.355 . 3.048 2.137 2.129 2.142 . 0 0 "[ . 1 . 2]" 1
293 1 69 THR HA 1 69 THR MG 2.332 . 3.012 2.391 2.225 2.491 . 0 0 "[ . 1 . 2]" 1
294 1 69 THR HA 1 69 THR HB 2.370 . 3.072 2.488 2.423 2.662 . 0 0 "[ . 1 . 2]" 1
295 1 69 THR HA 1 87 ILE HG13 2.892 . 3.937 3.999 3.961 4.035 0.098 19 0 "[ . 1 . 2]" 1
296 1 69 THR H 1 69 THR HA 2.904 . 3.958 2.941 2.938 2.948 . 0 0 "[ . 1 . 2]" 1
297 1 69 THR HA 1 70 CYS H 2.295 . 2.954 2.257 2.173 2.352 . 0 0 "[ . 1 . 2]" 1
298 1 69 THR HA 1 87 ILE H 2.560 . 3.379 2.534 2.275 2.809 . 0 0 "[ . 1 . 2]" 1
299 1 23 LYS QB 1 23 LYS QG 2.337 . 3.020 2.051 1.919 2.082 . 0 0 "[ . 1 . 2]" 1
300 1 20 ASP QB 1 23 LYS QB 2.664 . 3.345 1.884 1.658 2.044 0.222 9 0 "[ . 1 . 2]" 1
301 1 23 LYS H 1 23 LYS QB 2.724 . 3.355 2.354 2.143 2.507 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU HB3 1 16 LEU MD1 2.386 . 3.098 3.183 3.176 3.193 0.095 15 0 "[ . 1 . 2]" 1
303 1 4 TRP HB2 1 16 LEU HB3 3.002 . 4.129 3.944 3.468 4.154 0.025 9 0 "[ . 1 . 2]" 1
304 1 66 ASN HB2 1 67 THR H 2.410 . 3.136 3.129 2.798 3.285 0.149 11 0 "[ . 1 . 2]" 1
305 1 68 PRO HA 1 68 PRO HB3 2.683 . 3.583 2.288 2.259 2.313 . 0 0 "[ . 1 . 2]" 1
306 1 68 PRO HA 1 69 THR H 2.449 . 3.199 2.174 2.130 2.205 . 0 0 "[ . 1 . 2]" 1
307 1 51 GLN H 1 51 GLN HB2 2.362 . 3.059 2.758 2.500 2.970 . 0 0 "[ . 1 . 2]" 1
308 1 24 LYS QB 1 47 ILE MG 2.893 . 3.939 3.534 2.189 3.901 . 0 0 "[ . 1 . 2]" 1
309 1 41 VAL HA 1 41 VAL HB 2.362 . 3.060 2.547 2.320 2.629 . 0 0 "[ . 1 . 2]" 1
310 1 41 VAL HA 1 41 VAL MG1 2.084 . 2.627 2.261 2.212 2.540 . 0 0 "[ . 1 . 2]" 1
311 1 90 ILE HA 1 90 ILE HB 2.515 . 3.306 2.522 2.489 2.574 . 0 0 "[ . 1 . 2]" 1
312 1 90 ILE H 1 90 ILE HA 2.687 . 3.590 2.928 2.921 2.936 . 0 0 "[ . 1 . 2]" 1
313 1 41 VAL HA 1 42 LEU H 1.973 . 2.460 2.164 2.098 2.247 . 0 0 "[ . 1 . 2]" 1
314 1 41 VAL H 1 41 VAL HA 2.597 . 3.440 2.880 2.785 2.941 . 0 0 "[ . 1 . 2]" 1
315 1 19 CYS HB3 1 69 THR MG 2.728 . 3.658 3.503 2.484 3.692 0.034 18 0 "[ . 1 . 2]" 1
316 1 19 CYS HB3 1 47 ILE HG12 2.787 . 3.758 3.873 3.642 4.501 0.743 5 1 "[ + 1 . 2]" 1
317 1 19 CYS HB3 1 47 ILE MD 2.367 . 3.067 2.248 2.087 2.424 . 0 0 "[ . 1 . 2]" 1
318 1 40 ASP H 1 40 ASP HB2 2.689 . 3.593 2.504 2.179 3.004 . 0 0 "[ . 1 . 2]" 1
319 1 74 VAL QG 1 81 GLY HA2 2.534 . 3.336 2.071 1.875 2.695 . 0 0 "[ . 1 . 2]" 1
320 1 74 VAL HA 1 81 GLY HA2 2.548 . 3.360 2.187 2.064 2.348 . 0 0 "[ . 1 . 2]" 1
321 1 52 ILE HA 1 52 ILE MD 2.778 . 3.743 3.602 1.929 3.832 0.089 1 0 "[ . 1 . 2]" 1
322 1 52 ILE HB 1 52 ILE MD 2.361 . 3.058 2.540 2.433 3.208 0.150 19 0 "[ . 1 . 2]" 1
323 1 52 ILE MD 1 52 ILE QG 2.114 . 2.673 1.884 1.878 1.889 . 0 0 "[ . 1 . 2]" 1
324 1 22 ASN HA 1 22 ASN QB 2.339 . 3.023 2.318 2.165 2.411 . 0 0 "[ . 1 . 2]" 1
325 1 76 ASP HA 1 76 ASP HB3 2.543 . 3.351 2.670 2.479 3.004 . 0 0 "[ . 1 . 2]" 1
326 1 22 ASN QB 1 23 LYS H 2.839 . 3.846 3.284 2.533 3.724 . 0 0 "[ . 1 . 2]" 1
327 1 22 ASN QB 1 22 ASN HD21 2.660 . 3.373 2.218 2.132 2.789 . 0 0 "[ . 1 . 2]" 1
328 1 56 ILE HA 1 56 ILE HG12 2.783 . 3.751 2.963 2.568 3.653 . 0 0 "[ . 1 . 2]" 1
329 1 56 ILE HA 1 56 ILE HG13 2.678 . 3.574 2.966 2.419 3.656 0.082 14 0 "[ . 1 . 2]" 1
330 1 56 ILE HA 1 57 GLY H 2.086 . 2.630 2.133 2.097 2.163 . 0 0 "[ . 1 . 2]" 1
331 1 56 ILE H 1 56 ILE HA 2.526 . 3.323 2.831 2.780 2.859 . 0 0 "[ . 1 . 2]" 1
332 1 69 THR MG 1 86 PRO HD3 2.989 . 4.106 3.348 2.849 3.745 . 0 0 "[ . 1 . 2]" 1
333 1 21 THR HA 1 47 ILE MD 2.241 . 2.869 2.380 1.914 2.690 . 0 0 "[ . 1 . 2]" 1
334 1 21 THR HA 1 47 ILE HB 2.976 . 4.083 3.246 3.115 3.366 . 0 0 "[ . 1 . 2]" 1
335 1 21 THR HA 1 21 THR MG 2.285 . 2.938 2.310 2.263 2.375 . 0 0 "[ . 1 . 2]" 1
336 1 21 THR HA 1 22 ASN H 2.927 . 3.998 3.317 3.230 3.414 . 0 0 "[ . 1 . 2]" 1
337 1 72 GLU HG2 1 83 ASN QB 2.740 . 3.678 3.563 2.115 4.315 0.637 16 1 "[ . 1 .+ 2]" 1
338 1 66 ASN HB3 1 67 THR H 2.247 . 2.878 1.831 1.668 1.937 . 0 0 "[ . 1 . 2]" 1
339 1 51 GLN HB2 1 51 GLN QG 2.532 2.016 3.048 2.228 2.138 2.352 . 0 0 "[ . 1 . 2]" 1
340 1 51 GLN HA 1 51 GLN QG 2.325 . 3.001 2.508 2.165 2.926 . 0 0 "[ . 1 . 2]" 1
341 1 51 GLN HE22 1 51 GLN QG 2.703 . 3.617 3.222 3.179 3.303 . 0 0 "[ . 1 . 2]" 1
342 1 51 GLN HE21 1 51 GLN QG 2.428 . 3.165 2.162 2.112 2.210 . 0 0 "[ . 1 . 2]" 1
343 1 51 GLN QG 1 52 ILE H 2.808 . 3.793 3.380 2.170 3.733 . 0 0 "[ . 1 . 2]" 1
344 1 16 LEU HA 1 16 LEU MD1 2.106 . 2.660 2.731 2.688 2.776 0.116 3 0 "[ . 1 . 2]" 1
345 1 16 LEU HA 1 16 LEU HG 2.622 . 3.481 2.470 2.415 2.517 . 0 0 "[ . 1 . 2]" 1
346 1 16 LEU HA 1 16 LEU HB2 2.478 . 3.245 3.008 3.001 3.013 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU HA 1 16 LEU HB3 2.497 . 3.276 2.562 2.545 2.579 . 0 0 "[ . 1 . 2]" 1
348 1 16 LEU HA 1 17 ALA H 2.205 . 2.813 2.181 2.132 2.298 . 0 0 "[ . 1 . 2]" 1
349 1 16 LEU H 1 16 LEU HA 2.780 . 3.746 2.905 2.896 2.914 . 0 0 "[ . 1 . 2]" 1
350 1 16 LEU HA 1 70 CYS HA 2.515 . 3.306 2.579 2.147 2.907 . 0 0 "[ . 1 . 2]" 1
351 1 82 ILE HB 1 82 ILE HG13 2.547 . 3.358 3.021 3.017 3.025 . 0 0 "[ . 1 . 2]" 1
352 1 73 ASP QB 1 82 ILE HB 2.609 . 3.460 2.056 1.912 2.324 . 0 0 "[ . 1 . 2]" 1
353 1 82 ILE H 1 82 ILE HB 2.511 . 3.299 2.338 2.286 2.381 . 0 0 "[ . 1 . 2]" 1
354 1 73 ASP H 1 82 ILE HB 2.668 . 3.558 2.668 2.374 2.940 . 0 0 "[ . 1 . 2]" 1
355 1 19 CYS HA 1 19 CYS HB3 2.564 . 3.386 2.489 2.431 2.926 . 0 0 "[ . 1 . 2]" 1
356 1 19 CYS HA 1 19 CYS HB2 2.881 . 3.919 3.004 2.761 3.027 . 0 0 "[ . 1 . 2]" 1
357 1 19 CYS HA 1 49 CYS HB3 2.938 . 4.017 3.712 2.851 4.147 0.130 18 0 "[ . 1 . 2]" 1
358 1 19 CYS HA 1 20 ASP H 2.371 . 3.074 2.291 2.186 2.386 . 0 0 "[ . 1 . 2]" 1
359 1 19 CYS H 1 19 CYS HA 2.668 . 3.558 2.941 2.934 2.949 . 0 0 "[ . 1 . 2]" 1
360 1 80 VAL HB 1 80 VAL MG2 2.201 . 2.806 2.127 2.121 2.132 . 0 0 "[ . 1 . 2]" 1
361 1 80 VAL HB 1 80 VAL MG1 2.167 . 2.754 2.127 2.120 2.130 . 0 0 "[ . 1 . 2]" 1
362 1 75 GLU HB3 1 80 VAL HB 2.730 . 3.662 2.205 1.789 3.506 0.009 18 0 "[ . 1 . 2]" 1
363 1 15 LYS HB3 1 71 CYS QB 2.954 . 4.045 2.676 2.452 2.825 . 0 0 "[ . 1 . 2]" 1
364 1 80 VAL H 1 80 VAL HB 2.643 . 3.516 2.710 2.640 2.786 . 0 0 "[ . 1 . 2]" 1
365 1 63 GLU HA 1 63 GLU HB2 2.509 . 3.296 2.516 2.474 2.568 . 0 0 "[ . 1 . 2]" 1
366 1 63 GLU HA 1 63 GLU HB3 2.549 . 3.361 2.988 2.374 3.026 . 0 0 "[ . 1 . 2]" 1
367 1 63 GLU HA 1 63 GLU QG 2.790 . 3.763 2.799 2.345 3.419 . 0 0 "[ . 1 . 2]" 1
368 1 63 GLU H 1 63 GLU HA 2.841 . 3.850 2.857 2.821 2.925 . 0 0 "[ . 1 . 2]" 1
369 1 55 LEU HA 1 55 LEU HB3 2.006 . 2.509 2.485 2.437 2.575 0.066 1 0 "[ . 1 . 2]" 1
370 1 55 LEU HA 1 56 ILE H 2.066 . 2.599 2.213 2.155 2.363 . 0 0 "[ . 1 . 2]" 1
371 1 55 LEU H 1 55 LEU HA 2.626 . 3.488 2.925 2.872 2.946 . 0 0 "[ . 1 . 2]" 1
372 1 68 PRO HD2 1 68 PRO HG2 2.370 . 3.072 2.248 2.218 2.260 . 0 0 "[ . 1 . 2]" 1
373 1 68 PRO HD2 1 68 PRO HG3 2.395 . 3.112 2.844 2.799 2.922 . 0 0 "[ . 1 . 2]" 1
374 1 67 THR MG 1 68 PRO HD2 2.524 . 3.321 2.096 1.988 2.222 . 0 0 "[ . 1 . 2]" 1
375 1 79 LEU QD 1 79 LEU HG 2.258 . 2.293 1.892 1.886 1.897 . 0 0 "[ . 1 . 2]" 1
376 1 89 LEU HA 1 89 LEU HG 2.783 . 3.751 3.235 3.152 3.320 . 0 0 "[ . 1 . 2]" 1
377 1 79 LEU H 1 79 LEU HG 2.694 . 3.601 2.896 2.243 3.827 0.226 6 0 "[ . 1 . 2]" 1
378 1 89 LEU H 1 89 LEU HG 2.730 . 3.662 2.369 2.166 2.522 . 0 0 "[ . 1 . 2]" 1
379 1 50 THR HB 1 50 THR MG 2.261 . 2.900 2.128 2.127 2.130 . 0 0 "[ . 1 . 2]" 1
380 1 50 THR H 1 50 THR HB 3.002 . 4.129 3.511 3.448 3.646 . 0 0 "[ . 1 . 2]" 1
381 1 50 THR HB 1 51 GLN H 3.228 2.298 4.158 4.123 3.918 4.203 0.045 14 0 "[ . 1 . 2]" 1
382 1 72 GLU QB 1 83 ASN QB 2.303 . 2.881 1.819 1.735 1.919 . 0 0 "[ . 1 . 2]" 1
383 1 83 ASN QB 1 83 ASN HD21 2.422 . 3.155 2.178 2.154 2.217 . 0 0 "[ . 1 . 2]" 1
384 1 66 ASN HA 1 66 ASN HB3 2.286 . 2.939 2.577 2.458 2.976 0.037 11 0 "[ . 1 . 2]" 1
385 1 66 ASN HA 1 66 ASN HB2 2.565 . 3.387 2.996 2.645 3.035 . 0 0 "[ . 1 . 2]" 1
386 1 66 ASN HA 1 67 THR H 2.778 . 3.743 2.805 2.710 3.058 . 0 0 "[ . 1 . 2]" 1
387 1 66 ASN HA 1 66 ASN HD21 2.850 . 3.865 3.816 3.117 4.004 0.139 11 0 "[ . 1 . 2]" 1
388 1 66 ASN H 1 66 ASN HA 2.671 . 3.563 2.937 2.917 2.948 . 0 0 "[ . 1 . 2]" 1
389 1 55 LEU H 1 55 LEU HB3 2.683 . 3.583 3.631 3.573 3.677 0.094 17 0 "[ . 1 . 2]" 1
390 1 25 VAL HB 1 25 VAL MG1 2.114 . 2.673 2.122 2.118 2.126 . 0 0 "[ . 1 . 2]" 1
391 1 49 CYS HA 1 49 CYS HB2 2.882 . 3.920 2.834 2.609 3.024 . 0 0 "[ . 1 . 2]" 1
392 1 49 CYS HA 1 49 CYS HB3 2.610 . 3.462 2.709 2.395 3.000 . 0 0 "[ . 1 . 2]" 1
393 1 19 CYS HB3 1 49 CYS HA 2.905 . 3.960 3.498 3.189 3.987 0.027 5 0 "[ . 1 . 2]" 1
394 1 49 CYS HA 1 50 THR H 2.327 . 3.004 2.376 2.277 2.484 . 0 0 "[ . 1 . 2]" 1
395 1 20 ASP H 1 49 CYS HA 2.697 . 3.606 2.924 2.611 3.236 . 0 0 "[ . 1 . 2]" 1
396 1 63 GLU H 1 63 GLU HB2 2.911 . 3.970 2.557 2.308 3.686 . 0 0 "[ . 1 . 2]" 1
397 1 51 GLN HE22 1 63 GLU HB2 2.972 . 4.076 4.070 3.203 4.535 0.459 15 0 "[ . 1 . 2]" 1
398 1 2 SER HA 1 2 SER HB2 2.011 . 2.517 2.699 2.468 3.031 0.514 9 7 "[** -** *+1 . 2]" 1
399 1 2 SER HA 1 3 GLY H 2.983 . 4.095 2.631 2.137 3.551 . 0 0 "[ . 1 . 2]" 1
400 1 43 ASP HA 1 43 ASP HB2 2.419 . 3.150 2.554 2.390 3.027 . 0 0 "[ . 1 . 2]" 1
401 1 53 PRO HB2 1 53 PRO HD2 3.015 . 4.151 3.550 3.161 4.023 . 0 0 "[ . 1 . 2]" 1
402 1 53 PRO HB2 1 54 LEU H 3.018 . 4.157 4.050 3.675 4.299 0.142 12 0 "[ . 1 . 2]" 1
403 1 56 ILE H 1 56 ILE HG12 2.803 . 3.785 3.307 2.117 3.875 0.090 18 0 "[ . 1 . 2]" 1
404 1 24 LYS HG3 1 47 ILE MG 3.296 2.319 4.273 3.209 2.273 4.811 0.538 12 1 "[ . 1 + . 2]" 1
405 1 72 GLU HG3 1 82 ILE MG 3.001 . 4.127 4.074 3.790 4.397 0.270 16 0 "[ . 1 . 2]" 1
406 1 26 GLN H 1 26 GLN QB 2.603 . 3.086 2.427 2.271 2.632 . 0 0 "[ . 1 . 2]" 1
407 1 67 THR MG 1 86 PRO HB2 2.728 . 3.658 3.441 2.297 3.734 0.076 15 0 "[ . 1 . 2]" 1
408 1 86 PRO HB2 1 86 PRO HD3 2.809 . 3.795 3.884 3.838 4.018 0.223 13 0 "[ . 1 . 2]" 1
409 1 61 GLU HA 1 61 GLU HB3 2.688 . 3.591 2.406 2.299 2.563 . 0 0 "[ . 1 . 2]" 1
410 1 61 GLU H 1 61 GLU HB3 2.991 . 4.109 3.037 2.660 3.539 . 0 0 "[ . 1 . 2]" 1
411 1 82 ILE HG13 1 82 ILE MG 2.252 . 2.886 2.487 2.450 2.526 . 0 0 "[ . 1 . 2]" 1
412 1 82 ILE H 1 82 ILE HG13 2.989 . 4.106 4.076 3.972 4.143 0.037 10 0 "[ . 1 . 2]" 1
413 1 67 THR MG 1 86 PRO HG3 2.754 . 3.702 3.369 3.016 3.739 0.037 13 0 "[ . 1 . 2]" 1
414 1 40 ASP HA 1 40 ASP HB2 2.251 . 2.884 2.656 2.451 3.013 0.129 12 0 "[ . 1 . 2]" 1
415 1 40 ASP HA 1 40 ASP HB3 2.341 . 3.026 2.905 2.553 3.028 0.002 20 0 "[ . 1 . 2]" 1
416 1 40 ASP H 1 40 ASP HA 2.817 . 3.809 2.880 2.823 2.948 . 0 0 "[ . 1 . 2]" 1
417 1 76 ASP HB3 1 79 LEU QD 2.620 . 3.478 2.803 2.032 3.392 . 0 0 "[ . 1 . 2]" 1
418 1 79 LEU HB2 1 79 LEU QD 2.130 . 2.697 2.332 2.220 2.467 . 0 0 "[ . 1 . 2]" 1
419 1 54 LEU H 1 54 LEU MD2 2.914 . 3.975 3.119 2.746 3.959 . 0 0 "[ . 1 . 2]" 1
420 1 72 GLU HA 1 72 GLU HG2 2.678 . 3.574 3.322 2.235 3.682 0.108 17 0 "[ . 1 . 2]" 1
421 1 72 GLU HA 1 72 GLU HG3 2.483 . 3.254 2.945 2.427 3.651 0.397 10 0 "[ . 1 . 2]" 1
422 1 72 GLU H 1 72 GLU HA 2.631 . 3.497 2.852 2.806 2.893 . 0 0 "[ . 1 . 2]" 1
423 1 72 GLU HA 1 73 ASP H 2.987 . 4.102 3.444 3.387 3.506 . 0 0 "[ . 1 . 2]" 1
424 1 59 ALA MB 1 62 ASP QB 2.671 . 3.563 2.568 2.190 3.350 . 0 0 "[ . 1 . 2]" 1
425 1 62 ASP HA 1 62 ASP QB 2.393 . 3.109 2.397 2.335 2.440 . 0 0 "[ . 1 . 2]" 1
426 1 62 ASP QB 1 63 GLU H 2.787 . 3.758 3.019 2.604 3.480 . 0 0 "[ . 1 . 2]" 1
427 1 62 ASP H 1 62 ASP QB 2.504 . 3.288 2.399 2.320 2.477 . 0 0 "[ . 1 . 2]" 1
428 1 65 LYS HA 1 65 LYS HG3 2.958 . 4.052 3.360 2.847 3.777 . 0 0 "[ . 1 . 2]" 1
429 1 65 LYS QB 1 65 LYS HG3 2.535 . 3.338 2.260 2.158 2.380 . 0 0 "[ . 1 . 2]" 1
430 1 65 LYS HE2 1 65 LYS HG3 2.946 . 4.031 3.410 2.498 4.244 0.213 5 0 "[ . 1 . 2]" 1
431 1 26 GLN QB 1 26 GLN HG3 2.167 . 2.754 2.302 2.155 2.397 . 0 0 "[ . 1 . 2]" 1
432 1 26 GLN HA 1 26 GLN HG3 2.952 2.200 3.704 3.369 2.892 3.794 0.090 13 0 "[ . 1 . 2]" 1
433 1 26 GLN H 1 26 GLN HG3 2.674 . 3.568 3.002 2.317 3.902 0.334 11 0 "[ . 1 . 2]" 1
434 1 26 GLN HE21 1 26 GLN HG3 2.798 . 3.777 2.601 2.224 3.497 . 0 0 "[ . 1 . 2]" 1
435 1 60 ILE MG 1 61 GLU HB2 2.969 . 4.071 3.941 3.282 4.202 0.131 4 0 "[ . 1 . 2]" 1
436 1 61 GLU HB2 1 61 GLU QG 2.472 . 3.236 2.370 2.133 2.480 . 0 0 "[ . 1 . 2]" 1
437 1 87 ILE HA 1 87 ILE HB 2.307 . 2.972 2.561 2.524 2.596 . 0 0 "[ . 1 . 2]" 1
438 1 87 ILE HA 1 87 ILE HG13 2.773 . 3.734 3.701 3.661 3.734 . 0 0 "[ . 1 . 2]" 1
439 1 87 ILE HA 1 87 ILE MG 2.109 . 2.665 2.215 2.177 2.263 . 0 0 "[ . 1 . 2]" 1
440 1 87 ILE H 1 87 ILE HA 2.701 . 3.613 2.902 2.842 2.931 . 0 0 "[ . 1 . 2]" 1
441 1 52 ILE HA 1 52 ILE QG 3.023 . 4.012 2.403 2.247 2.894 . 0 0 "[ . 1 . 2]" 1
442 1 24 LYS QB 1 24 LYS HG2 2.484 . 3.255 2.225 2.133 2.475 . 0 0 "[ . 1 . 2]" 1
443 1 43 ASP HA 1 43 ASP HB3 2.119 . 2.680 2.743 2.446 3.032 0.352 4 0 "[ . 1 . 2]" 1
444 1 72 GLU QB 1 82 ILE MG 2.725 . 3.653 2.429 2.058 2.713 . 0 0 "[ . 1 . 2]" 1
445 1 72 GLU QB 1 72 GLU HG2 2.295 . 2.954 2.296 2.233 2.478 . 0 0 "[ . 1 . 2]" 1
446 1 72 GLU H 1 72 GLU QB 2.295 . 2.953 2.091 1.991 2.248 . 0 0 "[ . 1 . 2]" 1
447 1 72 GLU QB 1 73 ASP H 2.567 . 3.390 2.968 2.506 3.156 . 0 0 "[ . 1 . 2]" 1
448 1 72 GLU QB 1 83 ASN HD21 2.782 . 3.749 2.679 2.517 2.800 . 0 0 "[ . 1 . 2]" 1
449 1 54 LEU HA 1 54 LEU HG 2.787 . 3.758 3.442 2.622 3.674 . 0 0 "[ . 1 . 2]" 1
450 1 44 GLN H 1 44 GLN HG2 2.991 . 4.109 2.864 2.552 3.265 . 0 0 "[ . 1 . 2]" 1
451 1 28 SER HA 1 28 SER HB3 2.062 . 2.593 2.536 2.340 3.034 0.441 3 0 "[ . 1 . 2]" 1
452 1 44 GLN HA 1 44 GLN HG2 2.518 . 3.310 2.669 2.539 2.759 . 0 0 "[ . 1 . 2]" 1
453 1 44 GLN HA 1 45 VAL QG 2.765 . 3.720 3.520 3.337 3.745 0.025 13 0 "[ . 1 . 2]" 1
454 1 44 GLN HA 1 83 ASN HD21 2.921 . 3.988 3.881 3.565 4.055 0.067 9 0 "[ . 1 . 2]" 1
455 1 44 GLN HA 1 45 VAL H 2.006 . 2.509 2.160 2.102 2.223 . 0 0 "[ . 1 . 2]" 1
456 1 44 GLN HA 1 83 ASN HD22 2.524 . 3.321 2.472 2.144 2.706 . 0 0 "[ . 1 . 2]" 1
457 1 88 PRO HA 1 88 PRO HB3 2.062 . 2.593 2.277 2.268 2.315 . 0 0 "[ . 1 . 2]" 1
458 1 88 PRO HA 1 89 LEU HG 2.867 . 3.895 3.604 3.404 3.781 . 0 0 "[ . 1 . 2]" 1
459 1 88 PRO HA 1 89 LEU H 1.857 . 2.288 2.260 2.153 2.330 0.042 3 0 "[ . 1 . 2]" 1
460 1 88 PRO HD3 1 88 PRO HG3 2.305 . 2.969 2.334 2.289 2.354 . 0 0 "[ . 1 . 2]" 1
461 1 88 PRO HD3 1 88 PRO HG2 2.263 . 2.903 2.652 2.627 2.939 0.036 12 0 "[ . 1 . 2]" 1
462 1 87 ILE MG 1 88 PRO HD3 2.364 . 3.062 3.077 2.903 3.142 0.080 12 0 "[ . 1 . 2]" 1
463 1 87 ILE HA 1 88 PRO HD3 2.070 . 2.606 1.828 1.742 1.982 . 0 0 "[ . 1 . 2]" 1
464 1 59 ALA MB 1 61 GLU QG 2.982 . 4.094 2.883 2.028 4.041 . 0 0 "[ . 1 . 2]" 1
465 1 59 ALA H 1 59 ALA MB 2.266 . 2.908 2.184 2.148 2.224 . 0 0 "[ . 1 . 2]" 1
466 1 59 ALA MB 1 62 ASP H 2.845 . 3.857 2.836 2.545 3.202 . 0 0 "[ . 1 . 2]" 1
467 1 60 ILE HA 1 60 ILE MG 2.455 . 3.208 3.213 3.194 3.220 0.012 11 0 "[ . 1 . 2]" 1
468 1 60 ILE MG 1 61 GLU QG 2.772 . 3.733 2.558 1.847 3.593 0.026 5 0 "[ . 1 . 2]" 1
469 1 4 TRP HB3 1 60 ILE MG 2.964 . 4.063 3.546 2.902 4.076 0.013 13 0 "[ . 1 . 2]" 1
470 1 60 ILE MG 1 61 GLU HB3 2.471 . 3.234 3.214 2.756 4.194 0.960 12 6 "[ * *** 1 + -. 2]" 1
471 1 60 ILE MG 1 61 GLU H 2.537 . 3.342 1.972 1.791 2.223 . 0 0 "[ . 1 . 2]" 1
472 1 60 ILE H 1 60 ILE MG 2.598 . 3.442 2.111 1.963 2.243 . 0 0 "[ . 1 . 2]" 1
473 1 41 VAL HB 1 41 VAL MG1 2.243 . 2.872 2.134 2.120 2.141 . 0 0 "[ . 1 . 2]" 1
474 1 47 ILE HA 1 47 ILE HB 2.515 . 3.306 2.521 2.491 2.546 . 0 0 "[ . 1 . 2]" 1
475 1 47 ILE MD 1 47 ILE HG13 2.436 . 3.178 2.120 2.117 2.123 . 0 0 "[ . 1 . 2]" 1
476 1 87 ILE HB 1 88 PRO HD2 2.605 . 3.453 2.741 2.282 3.103 . 0 0 "[ . 1 . 2]" 1
477 1 87 ILE MG 1 88 PRO HD2 2.597 . 3.440 3.327 2.989 3.478 0.038 19 0 "[ . 1 . 2]" 1
478 1 88 PRO HD2 1 88 PRO HG3 2.415 . 3.144 2.987 2.756 3.005 . 0 0 "[ . 1 . 2]" 1
479 1 88 PRO HD2 1 88 PRO HG2 2.222 . 2.839 2.334 2.227 2.352 . 0 0 "[ . 1 . 2]" 1
480 1 54 LEU H 1 54 LEU HG 2.880 . 3.917 2.081 1.834 2.907 0.009 1 0 "[ . 1 . 2]" 1
481 1 60 ILE HB 1 60 ILE MD 2.871 . 3.901 2.368 2.309 2.454 . 0 0 "[ . 1 . 2]" 1
482 1 4 TRP HB3 1 60 ILE HB 2.779 . 3.745 3.438 2.775 3.767 0.022 13 0 "[ . 1 . 2]" 1
483 1 60 ILE H 1 60 ILE HB 2.827 . 3.826 2.468 2.389 2.556 . 0 0 "[ . 1 . 2]" 1
484 1 4 TRP HE3 1 60 ILE HB 2.996 . 4.118 3.129 2.629 3.416 . 0 0 "[ . 1 . 2]" 1
485 1 44 GLN HB2 1 44 GLN HG3 2.241 . 2.869 2.419 2.326 2.490 . 0 0 "[ . 1 . 2]" 1
486 1 44 GLN HA 1 44 GLN HG3 2.650 . 3.528 3.305 3.048 3.521 . 0 0 "[ . 1 . 2]" 1
487 1 44 GLN HE21 1 44 GLN HG3 2.788 . 3.760 2.915 2.259 3.465 . 0 0 "[ . 1 . 2]" 1
488 1 58 ILE HB 1 58 ILE HG12 2.515 . 3.306 2.461 2.422 2.472 . 0 0 "[ . 1 . 2]" 1
489 1 58 ILE H 1 58 ILE HG12 2.752 . 3.699 3.657 3.534 3.725 0.026 13 0 "[ . 1 . 2]" 1
490 1 44 GLN HA 1 44 GLN HB3 2.594 . 3.435 2.378 2.341 2.462 . 0 0 "[ . 1 . 2]" 1
491 1 44 GLN H 1 44 GLN HB3 2.711 . 3.630 3.585 3.551 3.610 . 0 0 "[ . 1 . 2]" 1
492 1 79 LEU HA 1 79 LEU HB2 2.744 . 3.685 3.012 3.004 3.021 . 0 0 "[ . 1 . 2]" 1
493 1 79 LEU H 1 79 LEU HB2 2.678 . 3.575 2.475 2.302 2.647 . 0 0 "[ . 1 . 2]" 1
494 1 63 GLU HB3 1 63 GLU QG 2.354 . 3.047 2.196 2.130 2.361 . 0 0 "[ . 1 . 2]" 1
495 1 7 LYS HA 1 7 LYS HB2 2.153 . 2.732 2.410 2.327 2.485 . 0 0 "[ . 1 . 2]" 1
496 1 7 LYS HA 1 7 LYS QD 2.858 . 3.879 3.337 1.940 3.819 . 0 0 "[ . 1 . 2]" 1
497 1 7 LYS HA 1 8 THR H 2.936 . 4.014 3.448 3.306 3.553 . 0 0 "[ . 1 . 2]" 1
498 1 59 ALA HA 1 60 ILE MG 2.855 . 3.874 3.808 3.611 3.899 0.025 15 0 "[ . 1 . 2]" 1
499 1 59 ALA HA 1 59 ALA MB 2.064 . 2.597 2.127 2.122 2.133 . 0 0 "[ . 1 . 2]" 1
500 1 5 GLU QB 1 59 ALA HA 2.731 . 3.663 3.493 2.824 3.668 0.005 4 0 "[ . 1 . 2]" 1
501 1 59 ALA HA 1 60 ILE H 2.352 . 3.043 2.179 2.099 2.283 . 0 0 "[ . 1 . 2]" 1
502 1 59 ALA H 1 59 ALA HA 2.728 . 3.658 2.892 2.857 2.912 . 0 0 "[ . 1 . 2]" 1
503 1 25 VAL H 1 25 VAL HA 2.504 . 3.288 2.952 2.932 2.960 . 0 0 "[ . 1 . 2]" 1
504 1 56 ILE HB 1 56 ILE MG 1.989 . 2.484 2.124 2.119 2.131 . 0 0 "[ . 1 . 2]" 1
505 1 56 ILE MG 1 57 GLY HA2 2.607 . 3.456 3.524 3.290 3.760 0.304 15 0 "[ . 1 . 2]" 1
506 1 56 ILE MG 1 57 GLY H 2.551 . 3.364 2.478 2.325 2.678 . 0 0 "[ . 1 . 2]" 1
507 1 37 HIS HA 1 37 HIS HB2 2.709 . 3.626 2.703 2.419 3.021 . 0 0 "[ . 1 . 2]" 1
508 1 31 GLU HA 1 31 GLU HB2 2.223 . 2.841 2.958 2.402 3.023 0.182 14 0 "[ . 1 . 2]" 1
509 1 31 GLU HA 1 31 GLU HG3 2.347 . 3.035 3.241 2.603 3.758 0.723 7 4 "[ * . + 1 *. -]" 1
510 1 32 GLU HA 1 32 GLU HB3 2.350 . 3.040 2.557 2.442 3.024 . 0 0 "[ . 1 . 2]" 1
511 1 56 ILE HG13 1 56 ILE MG 2.151 . 2.729 2.960 2.289 3.209 0.480 7 0 "[ . 1 . 2]" 1
512 1 56 ILE H 1 56 ILE HG13 2.676 . 3.571 2.401 1.783 3.621 0.050 14 0 "[ . 1 . 2]" 1
513 1 56 ILE HB 1 56 ILE HG12 2.539 . 3.345 2.861 2.402 3.029 . 0 0 "[ . 1 . 2]" 1
514 1 56 ILE HB 1 56 ILE HG13 2.578 . 3.409 2.640 2.455 3.021 . 0 0 "[ . 1 . 2]" 1
515 1 56 ILE HA 1 56 ILE HB 2.458 . 3.213 3.007 2.996 3.016 . 0 0 "[ . 1 . 2]" 1
516 1 56 ILE H 1 56 ILE HB 2.398 . 3.117 2.639 2.442 2.796 . 0 0 "[ . 1 . 2]" 1
517 1 27 LYS HB2 1 27 LYS QG 2.336 . 3.018 2.176 2.141 2.264 . 0 0 "[ . 1 . 2]" 1
518 1 27 LYS HA 1 27 LYS HB2 2.591 . 3.430 2.994 2.535 3.029 . 0 0 "[ . 1 . 2]" 1
519 1 9 GLY H 1 9 GLY HA2 2.620 . 3.478 2.316 2.298 2.375 . 0 0 "[ . 1 . 2]" 1
520 1 82 ILE MD 1 82 ILE HG13 2.123 . 2.686 2.115 2.112 2.119 . 0 0 "[ . 1 . 2]" 1
521 1 82 ILE MD 1 82 ILE HG12 2.311 . 2.979 2.114 2.111 2.116 . 0 0 "[ . 1 . 2]" 1
522 1 82 ILE HB 1 82 ILE MD 2.469 . 3.231 2.373 2.349 2.410 . 0 0 "[ . 1 . 2]" 1
523 1 73 ASP QB 1 82 ILE MD 2.972 . 4.076 2.861 2.765 3.343 . 0 0 "[ . 1 . 2]" 1
524 1 46 ALA HA 1 82 ILE MD 2.854 . 3.872 3.636 3.317 3.898 0.026 17 0 "[ . 1 . 2]" 1
525 1 48 GLN HA 1 48 GLN QG 2.448 . 3.197 2.367 2.157 2.546 . 0 0 "[ . 1 . 2]" 1
526 1 48 GLN HA 1 48 GLN QB 2.354 . 3.047 2.493 2.440 2.538 . 0 0 "[ . 1 . 2]" 1
527 1 48 GLN HA 1 80 VAL MG2 2.761 . 3.714 3.599 3.124 3.824 0.110 4 0 "[ . 1 . 2]" 1
528 1 25 VAL MG2 1 48 GLN HA 2.413 . 3.141 2.545 2.152 3.075 . 0 0 "[ . 1 . 2]" 1
529 1 48 GLN HA 1 49 CYS H 1.967 . 2.451 2.109 2.018 2.224 . 0 0 "[ . 1 . 2]" 1
530 1 48 GLN H 1 48 GLN HA 2.630 . 3.495 2.881 2.852 2.921 . 0 0 "[ . 1 . 2]" 1
531 1 10 SER HA 1 10 SER QB 2.519 . 3.080 2.255 2.168 2.422 . 0 0 "[ . 1 . 2]" 1
532 1 10 SER HA 1 87 ILE MG 2.871 . 3.902 3.566 2.293 3.978 0.076 6 0 "[ . 1 . 2]" 1
533 1 10 SER HA 1 11 CYS H 2.577 . 3.407 3.437 3.350 3.493 0.086 7 0 "[ . 1 . 2]" 1
534 1 50 THR HA 1 79 LEU QD 2.449 . 3.198 2.761 2.148 3.238 0.040 17 0 "[ . 1 . 2]" 1
535 1 79 LEU HA 1 79 LEU QD 2.042 . 2.563 2.067 1.996 2.165 . 0 0 "[ . 1 . 2]" 1
536 1 79 LEU HB3 1 79 LEU QD 1.968 . 2.452 2.163 2.102 2.283 . 0 0 "[ . 1 . 2]" 1
537 1 44 GLN HB2 1 82 ILE MG 2.562 . 3.382 3.292 3.017 3.431 0.049 16 0 "[ . 1 . 2]" 1
538 1 44 GLN HB2 1 82 ILE HG13 2.820 . 3.814 3.633 2.990 3.899 0.085 10 0 "[ . 1 . 2]" 1
539 1 44 GLN HA 1 44 GLN HB2 2.395 . 3.112 3.000 2.988 3.014 . 0 0 "[ . 1 . 2]" 1
540 1 44 GLN HB2 1 45 VAL H 2.757 . 3.707 3.869 3.820 3.920 0.213 14 0 "[ . 1 . 2]" 1
541 1 17 ALA MB 1 49 CYS HB3 2.570 . 3.395 2.981 2.353 3.511 0.116 19 0 "[ . 1 . 2]" 1
542 1 17 ALA MB 1 18 CYS H 2.552 . 3.366 2.720 2.577 2.882 . 0 0 "[ . 1 . 2]" 1
543 1 57 GLY HA3 1 58 ILE H 2.723 . 3.650 3.282 2.998 3.477 . 0 0 "[ . 1 . 2]" 1
544 1 31 GLU HA 1 31 GLU HB3 2.697 . 3.606 2.543 2.412 3.024 . 0 0 "[ . 1 . 2]" 1
545 1 49 CYS H 1 49 CYS HB2 2.649 . 3.526 2.706 2.285 2.932 . 0 0 "[ . 1 . 2]" 1
546 1 52 ILE HB 1 52 ILE QG 2.560 . 3.379 2.321 2.162 2.363 . 0 0 "[ . 1 . 2]" 1
547 1 52 ILE HB 1 52 ILE MG 2.223 . 2.841 2.127 2.117 2.132 . 0 0 "[ . 1 . 2]" 1
548 1 52 ILE HB 1 53 PRO HD2 2.908 . 3.965 4.016 3.896 4.100 0.135 20 0 "[ . 1 . 2]" 1
549 1 52 ILE HA 1 52 ILE HB 2.721 . 3.647 3.022 3.013 3.032 . 0 0 "[ . 1 . 2]" 1
550 1 52 ILE H 1 52 ILE HB 2.525 . 3.322 2.421 2.281 2.557 . 0 0 "[ . 1 . 2]" 1
551 1 42 LEU HB3 1 42 LEU MD2 2.050 . 2.575 2.385 2.269 3.195 0.620 17 1 "[ . 1 . + 2]" 1
552 1 42 LEU HA 1 42 LEU HB3 2.351 . 3.042 2.675 2.423 3.025 . 0 0 "[ . 1 . 2]" 1
553 1 54 LEU HA 1 54 LEU HB3 2.372 . 3.075 2.410 2.333 2.476 . 0 0 "[ . 1 . 2]" 1
554 1 25 VAL MG2 1 48 GLN QB 2.886 . 3.927 2.864 2.318 3.567 . 0 0 "[ . 1 . 2]" 1
555 1 23 LYS QB 1 48 GLN QB 2.759 . 3.711 2.300 1.897 3.297 . 0 0 "[ . 1 . 2]" 1
556 1 23 LYS QE 1 48 GLN QB 2.970 . 4.072 2.652 2.081 3.330 . 0 0 "[ . 1 . 2]" 1
557 1 48 GLN H 1 48 GLN QB 2.567 . 3.391 2.184 2.086 2.289 . 0 0 "[ . 1 . 2]" 1
558 1 58 ILE HB 1 58 ILE HG13 2.370 . 3.072 2.428 2.405 2.465 . 0 0 "[ . 1 . 2]" 1
559 1 27 LYS HA 1 27 LYS HD2 2.994 2.153 3.835 2.870 2.014 4.058 0.223 1 0 "[ . 1 . 2]" 1
560 1 17 ALA HA 1 18 CYS H 2.559 . 3.377 2.240 2.194 2.358 . 0 0 "[ . 1 . 2]" 1
561 1 4 TRP HB3 1 16 LEU MD1 2.408 . 3.133 3.007 2.565 3.225 0.092 4 0 "[ . 1 . 2]" 1
562 1 4 TRP HB2 1 16 LEU MD1 2.795 . 3.771 2.144 1.846 2.473 . 0 0 "[ . 1 . 2]" 1
563 1 11 CYS HB2 1 16 LEU MD1 2.576 . 3.405 2.483 2.134 2.815 . 0 0 "[ . 1 . 2]" 1
564 1 16 LEU HB2 1 16 LEU MD1 2.277 . 2.925 2.326 2.294 2.373 . 0 0 "[ . 1 . 2]" 1
565 1 82 ILE HA 1 82 ILE HG13 2.569 . 3.394 2.341 2.298 2.376 . 0 0 "[ . 1 . 2]" 1
566 1 82 ILE HA 1 82 ILE HG12 2.718 . 3.641 3.606 3.582 3.627 . 0 0 "[ . 1 . 2]" 1
567 1 82 ILE HA 1 82 ILE MD 2.326 . 3.002 2.635 2.535 2.700 . 0 0 "[ . 1 . 2]" 1
568 1 82 ILE HA 1 82 ILE HB 2.658 . 3.541 2.998 2.986 3.008 . 0 0 "[ . 1 . 2]" 1
569 1 82 ILE H 1 82 ILE HA 2.709 . 3.627 2.927 2.904 2.937 . 0 0 "[ . 1 . 2]" 1
570 1 82 ILE HA 1 83 ASN H 2.026 . 2.539 2.112 2.094 2.150 . 0 0 "[ . 1 . 2]" 1
571 1 46 ALA HA 1 82 ILE HA 2.473 . 3.237 2.870 2.519 3.089 . 0 0 "[ . 1 . 2]" 1
572 1 57 GLY HA2 1 58 ILE H 2.649 . 3.526 3.259 3.018 3.471 . 0 0 "[ . 1 . 2]" 1
573 1 57 GLY H 1 57 GLY HA2 2.402 . 3.123 2.345 2.293 2.410 . 0 0 "[ . 1 . 2]" 1
574 1 14 GLY HA3 1 15 LYS H 2.467 . 3.228 3.263 3.115 3.449 0.221 18 0 "[ . 1 . 2]" 1
575 1 15 LYS HD3 1 15 LYS HG2 2.355 . 3.048 2.486 2.421 2.591 . 0 0 "[ . 1 . 2]" 1
576 1 15 LYS HD3 1 73 ASP HA 2.779 . 3.744 2.867 2.064 3.749 0.005 15 0 "[ . 1 . 2]" 1
577 1 49 CYS HB3 1 50 THR H 2.598 . 3.442 2.918 2.391 3.362 . 0 0 "[ . 1 . 2]" 1
578 1 16 LEU MD1 1 16 LEU HG 2.029 . 2.543 2.110 2.099 2.113 . 0 0 "[ . 1 . 2]" 1
579 1 16 LEU H 1 16 LEU HG 2.830 . 3.831 3.930 3.893 3.949 0.118 12 0 "[ . 1 . 2]" 1
580 1 89 LEU HB2 1 89 LEU MD1 2.165 . 2.751 2.346 2.295 2.388 . 0 0 "[ . 1 . 2]" 1
581 1 89 LEU H 1 89 LEU HB2 2.155 . 2.736 2.531 2.455 2.603 . 0 0 "[ . 1 . 2]" 1
582 1 21 THR HA 1 21 THR HB 2.195 . 2.797 2.493 2.446 2.534 . 0 0 "[ . 1 . 2]" 1
583 1 21 THR HB 1 21 THR MG 2.013 . 2.519 2.135 2.132 2.142 . 0 0 "[ . 1 . 2]" 1
584 1 21 THR HB 1 47 ILE MG 2.819 . 3.813 3.872 3.787 3.945 0.132 9 0 "[ . 1 . 2]" 1
585 1 21 THR HB 1 47 ILE MD 2.891 . 3.936 3.834 3.450 3.990 0.054 17 0 "[ . 1 . 2]" 1
586 1 70 CYS HA 1 70 CYS HB3 2.652 . 3.531 2.954 2.528 3.036 . 0 0 "[ . 1 . 2]" 1
587 1 70 CYS HA 1 70 CYS HB2 2.582 . 3.416 2.505 2.378 3.014 . 0 0 "[ . 1 . 2]" 1
588 1 16 LEU MD1 1 70 CYS HA 2.566 . 3.389 3.458 3.295 3.589 0.200 5 0 "[ . 1 . 2]" 1
589 1 17 ALA H 1 70 CYS HA 3.001 . 4.127 3.708 3.069 4.117 . 0 0 "[ . 1 . 2]" 1
590 1 70 CYS HA 1 71 CYS H 2.130 . 2.697 2.146 2.077 2.203 . 0 0 "[ . 1 . 2]" 1
591 1 70 CYS H 1 70 CYS HA 2.821 . 3.816 2.939 2.923 2.950 . 0 0 "[ . 1 . 2]" 1
592 1 65 LYS HA 1 65 LYS QB 2.557 . 2.802 2.395 2.355 2.446 . 0 0 "[ . 1 . 2]" 1
593 1 86 PRO HD2 1 86 PRO HG2 2.166 . 2.752 2.301 2.215 2.330 . 0 0 "[ . 1 . 2]" 1
594 1 86 PRO HB2 1 86 PRO HD2 2.442 . 3.187 3.113 2.859 3.997 0.810 3 5 "[ + * *1 -*. 2]" 1
595 1 85 THR MG 1 86 PRO HD2 2.261 . 2.900 2.245 1.885 2.455 . 0 0 "[ . 1 . 2]" 1
596 1 86 PRO HD2 1 86 PRO HG3 2.417 . 3.147 2.937 2.681 2.997 . 0 0 "[ . 1 . 2]" 1
597 1 25 VAL HA 1 25 VAL MG2 2.302 . 2.964 2.563 2.476 2.688 . 0 0 "[ . 1 . 2]" 1
598 1 25 VAL HB 1 25 VAL MG2 2.057 . 2.586 2.128 2.125 2.133 . 0 0 "[ . 1 . 2]" 1
599 1 25 VAL MG2 1 46 ALA MB 2.254 . 2.889 2.936 2.664 3.018 0.129 4 0 "[ . 1 . 2]" 1
600 1 25 VAL MG2 1 48 GLN H 2.853 . 3.870 2.889 2.641 3.125 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLN QB 1 27 LYS QG 3.294 2.318 4.270 3.438 2.900 4.189 . 0 0 "[ . 1 . 2]" 1
602 1 7 LYS HB2 1 7 LYS QG 2.066 . 2.600 2.348 2.134 2.471 . 0 0 "[ . 1 . 2]" 1
603 1 18 CYS HA 1 18 CYS HB3 2.797 . 3.775 2.499 2.407 3.018 . 0 0 "[ . 1 . 2]" 1
604 1 18 CYS HB3 1 66 ASN HD21 2.843 . 3.853 3.500 2.155 3.872 0.019 12 0 "[ . 1 . 2]" 1
605 1 15 LYS HD2 1 15 LYS QE 2.589 . 3.427 2.335 2.159 2.437 . 0 0 "[ . 1 . 2]" 1
606 1 15 LYS HD2 1 74 VAL H 2.951 . 4.040 3.985 3.015 4.502 0.462 5 0 "[ . 1 . 2]" 1
607 1 74 VAL QG 1 78 GLY HA2 2.518 . 3.310 1.894 1.695 2.836 0.181 5 0 "[ . 1 . 2]" 1
608 1 78 GLY H 1 78 GLY HA2 2.791 . 3.765 2.411 2.335 2.472 . 0 0 "[ . 1 . 2]" 1
609 1 52 ILE HB 1 64 CYS HB2 2.732 . 3.665 3.692 3.271 3.838 0.173 2 0 "[ . 1 . 2]" 1
610 1 88 PRO HB3 1 88 PRO HD2 2.764 . 3.719 3.804 3.780 3.821 0.102 9 0 "[ . 1 . 2]" 1
611 1 88 PRO HB3 1 89 LEU H 2.755 . 3.704 3.163 2.974 3.672 . 0 0 "[ . 1 . 2]" 1
612 1 52 ILE MD 1 64 CYS HB3 2.920 . 3.986 3.707 3.242 4.124 0.138 15 0 "[ . 1 . 2]" 1
613 1 64 CYS HA 1 64 CYS HB3 2.761 . 3.714 2.576 2.489 2.655 . 0 0 "[ . 1 . 2]" 1
614 1 64 CYS H 1 64 CYS HB3 2.606 . 3.455 2.802 2.681 3.069 . 0 0 "[ . 1 . 2]" 1
615 1 52 ILE HA 1 53 PRO HD2 2.489 . 3.263 2.138 1.916 2.422 . 0 0 "[ . 1 . 2]" 1
616 1 52 ILE H 1 52 ILE HA 2.998 . 4.122 2.837 2.760 2.920 . 0 0 "[ . 1 . 2]" 1
617 1 52 ILE H 1 52 ILE QG 2.750 . 3.696 2.211 1.876 2.645 . 0 0 "[ . 1 . 2]" 1
618 1 14 GLY HA2 1 15 LYS H 2.729 . 3.660 3.283 3.052 3.446 . 0 0 "[ . 1 . 2]" 1
619 1 7 LYS QD 1 7 LYS HE2 2.321 . 2.994 2.307 2.171 2.366 . 0 0 "[ . 1 . 2]" 1
620 1 7 LYS HE2 1 7 LYS QG 2.937 2.195 3.679 2.729 2.276 3.325 . 0 0 "[ . 1 . 2]" 1
621 1 84 CYS H 1 84 CYS HB3 2.913 . 3.973 3.542 3.098 3.646 . 0 0 "[ . 1 . 2]" 1
622 1 84 CYS HB3 1 85 THR H 2.887 . 3.929 3.888 3.644 4.012 0.083 13 0 "[ . 1 . 2]" 1
623 1 65 LYS HA 1 65 LYS HD2 2.229 . 2.850 2.826 1.889 3.616 0.766 2 6 "[*+ * - 1 * .* 2]" 1
624 1 65 LYS HA 1 65 LYS HG2 2.502 . 3.285 3.369 2.834 3.768 0.483 12 0 "[ . 1 . 2]" 1
625 1 65 LYS HA 1 66 ASN H 2.821 . 3.816 2.764 2.479 3.036 . 0 0 "[ . 1 . 2]" 1
626 1 61 GLU HA 1 61 GLU HB2 2.473 . 3.238 2.675 2.455 3.007 . 0 0 "[ . 1 . 2]" 1
627 1 65 LYS HE2 1 65 LYS HG2 2.914 . 3.975 3.304 2.573 3.759 . 0 0 "[ . 1 . 2]" 1
628 1 65 LYS QB 1 65 LYS HG2 2.543 . 3.352 2.262 2.159 2.382 . 0 0 "[ . 1 . 2]" 1
629 1 85 THR MG 1 86 PRO HD3 2.361 . 3.058 3.080 3.019 3.133 0.075 3 0 "[ . 1 . 2]" 1
630 1 27 LYS HB3 1 27 LYS QG 2.351 . 3.042 2.401 2.322 2.489 . 0 0 "[ . 1 . 2]" 1
631 1 25 VAL HA 1 25 VAL HB 2.659 . 3.543 3.010 2.977 3.022 . 0 0 "[ . 1 . 2]" 1
632 1 33 SER HA 1 34 GLY H 2.690 . 3.595 3.436 3.196 3.530 . 0 0 "[ . 1 . 2]" 1
633 1 74 VAL QG 1 78 GLY HA3 2.783 . 3.751 2.863 2.663 3.454 . 0 0 "[ . 1 . 2]" 1
634 1 78 GLY H 1 78 GLY HA3 2.925 . 3.994 2.940 2.912 2.953 . 0 0 "[ . 1 . 2]" 1
635 1 71 CYS HA 1 71 CYS QB 2.564 . 3.386 2.343 2.311 2.424 . 0 0 "[ . 1 . 2]" 1
636 1 71 CYS HA 1 72 GLU QB 3.020 . 4.160 4.018 3.911 4.225 0.065 10 0 "[ . 1 . 2]" 1
637 1 71 CYS HA 1 84 CYS HB3 2.852 . 3.868 3.882 3.598 4.122 0.254 12 0 "[ . 1 . 2]" 1
638 1 71 CYS H 1 71 CYS HA 2.886 . 3.927 2.923 2.900 2.943 . 0 0 "[ . 1 . 2]" 1
639 1 71 CYS HA 1 72 GLU H 2.182 . 2.777 2.174 2.083 2.252 . 0 0 "[ . 1 . 2]" 1
640 1 11 CYS H 1 11 CYS HB3 3.492 . 5.016 2.893 2.524 3.897 . 0 0 "[ . 1 . 2]" 1
641 1 51 GLN HE22 1 63 GLU QG 3.141 . 4.374 2.865 1.968 4.230 . 0 0 "[ . 1 . 2]" 1
642 1 4 TRP HH2 1 63 GLU QG 3.187 . 4.440 2.859 1.924 3.985 . 0 0 "[ . 1 . 2]" 1
643 1 67 THR HA 1 68 PRO HD3 2.195 . 2.797 1.991 1.965 2.014 . 0 0 "[ . 1 . 2]" 1
644 1 71 CYS HA 1 84 CYS HA 2.048 . 2.572 1.988 1.824 2.115 . 0 0 "[ . 1 . 2]" 1
645 1 11 CYS HB3 1 70 CYS HB2 3.215 . 4.507 3.748 2.883 3.968 . 0 0 "[ . 1 . 2]" 1
646 1 11 CYS HB2 1 70 CYS HB2 3.104 . 4.309 2.616 2.163 4.491 0.182 6 0 "[ . 1 . 2]" 1
647 1 11 CYS HB2 1 70 CYS HB3 3.162 . 4.412 3.877 3.485 4.071 . 0 0 "[ . 1 . 2]" 1
648 1 18 CYS HB2 1 64 CYS HB3 3.285 . 4.634 3.835 3.305 4.320 . 0 0 "[ . 1 . 2]" 1
649 1 18 CYS HB3 1 64 CYS HB3 3.255 . 4.579 4.186 3.875 4.587 0.008 7 0 "[ . 1 . 2]" 1
650 1 18 CYS HB2 1 60 ILE MD 3.372 . 4.793 3.696 1.936 4.136 0.015 3 0 "[ . 1 . 2]" 1
651 1 17 ALA MB 1 18 CYS HB2 3.411 . 4.865 4.592 4.483 4.763 . 0 0 "[ . 1 . 2]" 1
652 1 18 CYS HB3 1 50 THR MG 3.219 . 4.514 3.999 3.425 4.526 0.012 14 0 "[ . 1 . 2]" 1
653 1 18 CYS HB3 1 64 CYS HB2 3.219 . 4.514 3.560 3.181 3.974 . 0 0 "[ . 1 . 2]" 1
654 1 63 GLU QG 1 64 CYS HB3 2.981 . 4.092 3.711 3.335 4.056 . 0 0 "[ . 1 . 2]" 1
655 1 52 ILE HB 1 64 CYS HB3 3.098 . 4.298 3.287 2.809 3.739 . 0 0 "[ . 1 . 2]" 1
656 1 49 CYS HB3 1 79 LEU HA 3.206 . 4.491 3.513 2.694 4.452 . 0 0 "[ . 1 . 2]" 1
657 1 48 GLN HA 1 49 CYS HB3 3.845 2.446 5.244 5.112 4.612 5.522 0.278 5 0 "[ . 1 . 2]" 1
658 1 48 GLN HA 1 49 CYS HB2 4.473 2.965 5.981 4.171 3.740 4.464 . 0 0 "[ . 1 . 2]" 1
659 1 71 CYS QB 1 81 GLY HA2 3.188 . 4.458 3.409 3.139 3.613 . 0 0 "[ . 1 . 2]" 1
660 1 74 VAL HB 1 78 GLY HA3 3.059 . 4.229 4.203 3.537 4.354 0.125 12 0 "[ . 1 . 2]" 1
661 1 87 ILE H 1 87 ILE MG 2.483 . 3.254 2.856 2.654 3.034 . 0 0 "[ . 1 . 2]" 1
662 1 17 ALA MB 1 50 THR H 2.897 . 3.946 4.051 3.975 4.105 0.159 3 0 "[ . 1 . 2]" 1
663 1 71 CYS HA 1 73 ASP H 3.108 . 4.315 3.703 3.510 3.968 . 0 0 "[ . 1 . 2]" 1
664 1 82 ILE MG 1 83 ASN HD21 2.740 . 3.678 2.691 2.577 2.879 . 0 0 "[ . 1 . 2]" 1
665 1 70 CYS H 1 87 ILE MG 2.876 . 3.910 2.745 2.298 3.345 . 0 0 "[ . 1 . 2]" 1
666 1 19 CYS HB3 1 47 ILE HG13 3.144 . 4.380 2.330 2.080 3.268 . 0 0 "[ . 1 . 2]" 1
667 1 46 ALA HA 1 81 GLY H 2.953 . 4.043 4.067 3.834 4.108 0.065 5 0 "[ . 1 . 2]" 1
668 1 18 CYS HB2 1 60 ILE HG13 3.464 . 4.964 4.949 3.877 5.441 0.477 4 0 "[ . 1 . 2]" 1
669 1 18 CYS HB3 1 60 ILE MD 3.578 . 5.179 4.393 3.380 4.607 . 0 0 "[ . 1 . 2]" 1
670 1 18 CYS HB3 1 19 CYS H 3.280 . 4.625 3.781 3.451 4.313 . 0 0 "[ . 1 . 2]" 1
671 1 45 VAL HB 1 83 ASN H 3.079 . 4.264 3.535 2.872 4.416 0.152 11 0 "[ . 1 . 2]" 1
672 1 45 VAL HB 1 46 ALA H 3.162 . 4.412 4.275 4.128 4.381 . 0 0 "[ . 1 . 2]" 1
673 1 83 ASN HA 1 83 ASN HD21 3.336 . 4.727 4.403 4.348 4.436 . 0 0 "[ . 1 . 2]" 1
674 1 74 VAL HA 1 82 ILE HB 3.109 . 4.317 4.009 3.578 4.339 0.022 10 0 "[ . 1 . 2]" 1
675 1 74 VAL H 1 74 VAL HA 2.851 . 3.867 2.929 2.903 2.944 . 0 0 "[ . 1 . 2]" 1
676 1 25 VAL MG2 1 48 GLN QG 3.078 2.247 3.315 2.882 1.925 3.317 0.322 9 0 "[ . 1 . 2]" 1
677 1 17 ALA MB 1 71 CYS QB 3.141 . 4.374 3.735 3.511 3.942 . 0 0 "[ . 1 . 2]" 1
678 1 15 LYS HB3 1 15 LYS QE 3.252 . 4.574 3.912 3.790 4.126 . 0 0 "[ . 1 . 2]" 1
679 1 15 LYS HB3 1 16 LEU H 3.316 . 4.691 4.044 3.983 4.082 . 0 0 "[ . 1 . 2]" 1
680 1 21 THR MG 1 47 ILE MD 2.253 . 2.888 2.273 2.020 2.494 . 0 0 "[ . 1 . 2]" 1
681 1 76 ASP HB3 1 79 LEU HG 2.809 . 3.795 3.185 2.413 3.693 . 0 0 "[ . 1 . 2]" 1
682 1 76 ASP HB3 1 79 LEU HB2 2.820 . 3.814 3.154 2.252 3.653 . 0 0 "[ . 1 . 2]" 1
683 1 44 GLN HA 1 82 ILE MG 2.641 . 3.513 3.394 3.111 3.571 0.058 12 0 "[ . 1 . 2]" 1
684 1 52 ILE MD 1 64 CYS HB2 3.080 . 4.266 3.008 2.344 3.512 . 0 0 "[ . 1 . 2]" 1
685 1 70 CYS HB3 1 87 ILE MG 2.777 . 3.741 2.927 2.376 3.777 0.036 6 0 "[ . 1 . 2]" 1
686 1 4 TRP HB3 1 16 LEU MD2 2.931 . 4.005 2.342 1.967 2.634 . 0 0 "[ . 1 . 2]" 1
687 1 4 TRP HB2 1 16 LEU MD2 2.932 . 4.007 2.960 2.371 3.365 . 0 0 "[ . 1 . 2]" 1
688 1 4 TRP HB2 1 60 ILE HB 3.303 . 4.666 4.561 4.014 4.718 0.052 12 0 "[ . 1 . 2]" 1
689 1 4 TRP HB3 1 16 LEU HB3 3.276 . 4.618 3.882 3.577 4.285 . 0 0 "[ . 1 . 2]" 1
690 1 4 TRP HB3 1 4 TRP HE3 3.277 . 4.619 2.738 2.480 2.951 . 0 0 "[ . 1 . 2]" 1
691 1 4 TRP HB3 1 4 TRP HD1 3.219 . 4.514 3.720 3.607 3.855 . 0 0 "[ . 1 . 2]" 1
692 1 4 TRP HB2 1 4 TRP HD1 3.084 . 4.273 2.590 2.551 2.738 . 0 0 "[ . 1 . 2]" 1
693 1 37 HIS HB2 1 37 HIS HD2 3.460 . 4.957 3.300 2.689 3.964 . 0 0 "[ . 1 . 2]" 1
694 1 37 HIS HB3 1 37 HIS HD2 3.415 . 4.873 3.523 2.730 3.974 . 0 0 "[ . 1 . 2]" 1
695 1 61 GLU HA 1 62 ASP H 3.321 . 4.700 3.417 3.294 3.529 . 0 0 "[ . 1 . 2]" 1
696 1 66 ASN HA 1 66 ASN HD22 3.168 . 4.422 4.271 3.979 4.437 0.015 3 0 "[ . 1 . 2]" 1
697 1 78 GLY HA3 1 79 LEU H 3.080 . 4.266 3.460 3.435 3.482 . 0 0 "[ . 1 . 2]" 1
698 1 66 ASN HB2 1 66 ASN HD21 3.132 . 4.358 2.354 2.166 3.414 . 0 0 "[ . 1 . 2]" 1
699 1 18 CYS HB2 1 66 ASN HD21 3.225 . 4.525 4.202 3.271 4.633 0.108 16 0 "[ . 1 . 2]" 1
700 1 48 GLN HE21 1 48 GLN QG 2.873 . 3.891 2.194 2.130 2.797 . 0 0 "[ . 1 . 2]" 1
701 1 48 GLN HE22 1 48 GLN QG 3.366 . 4.087 3.242 3.201 3.475 . 0 0 "[ . 1 . 2]" 1
702 1 48 GLN QG 1 49 CYS H 2.970 . 4.073 3.195 2.377 3.941 . 0 0 "[ . 1 . 2]" 1
703 1 4 TRP HH2 1 63 GLU HB2 3.172 . 4.430 3.612 2.803 4.495 0.065 12 0 "[ . 1 . 2]" 1
704 1 72 GLU QB 1 83 ASN HD22 3.138 . 4.369 4.203 3.966 4.334 . 0 0 "[ . 1 . 2]" 1
705 1 61 GLU HB3 1 62 ASP H 3.312 . 4.683 4.154 3.563 4.457 . 0 0 "[ . 1 . 2]" 1
706 1 90 ILE H 1 90 ILE HG13 3.349 . 4.751 2.797 2.670 2.906 . 0 0 "[ . 1 . 2]" 1
707 1 5 GLU H 1 5 GLU QB 2.832 . 3.835 2.378 2.088 2.634 . 0 0 "[ . 1 . 2]" 1
708 1 5 GLU QB 1 5 GLU HG3 2.554 2.027 3.081 2.219 2.149 2.361 . 0 0 "[ . 1 . 2]" 1
709 1 5 GLU HA 1 5 GLU HG3 2.945 2.198 3.692 3.441 2.419 3.813 0.121 14 0 "[ . 1 . 2]" 1
710 1 5 GLU H 1 5 GLU HG3 3.172 2.279 4.065 3.447 2.235 4.413 0.348 20 0 "[ . 1 . 2]" 1
711 1 75 GLU HG3 1 76 ASP H 3.206 . 4.490 2.930 2.199 4.621 0.131 8 0 "[ . 1 . 2]" 1
712 1 75 GLU H 1 75 GLU HG3 3.290 . 4.643 4.418 3.355 4.691 0.048 18 0 "[ . 1 . 2]" 1
713 1 75 GLU H 1 75 GLU HG2 3.272 . 4.611 4.409 2.926 4.671 0.060 6 0 "[ . 1 . 2]" 1
714 1 75 GLU HG2 1 76 ASP H 3.187 . 4.457 2.617 1.889 4.457 0.028 20 0 "[ . 1 . 2]" 1
715 1 75 GLU HA 1 75 GLU HG3 2.626 . 3.488 2.701 2.283 3.722 0.234 3 0 "[ . 1 . 2]" 1
716 1 75 GLU HA 1 75 GLU HG2 2.831 . 3.833 3.053 2.369 3.875 0.042 5 0 "[ . 1 . 2]" 1
717 1 76 ASP HA 1 78 GLY H 3.001 . 4.127 4.016 3.931 4.121 . 0 0 "[ . 1 . 2]" 1
718 1 60 ILE MD 1 60 ILE HG13 3.143 . 4.378 2.116 2.113 2.120 . 0 0 "[ . 1 . 2]" 1
719 1 50 THR HA 1 50 THR HB 2.163 . 2.748 2.428 2.342 2.485 . 0 0 "[ . 1 . 2]" 1
720 1 61 GLU HA 1 68 PRO HG3 3.240 . 4.552 3.380 2.060 4.605 0.053 7 0 "[ . 1 . 2]" 1
721 1 60 ILE MG 1 61 GLU HA 3.065 . 4.239 3.117 2.864 3.315 . 0 0 "[ . 1 . 2]" 1
722 1 22 ASN H 1 22 ASN QB 2.359 2.175 3.055 2.509 2.397 2.721 . 0 0 "[ . 1 . 2]" 1
723 1 68 PRO HB2 1 87 ILE HG12 3.032 . 4.181 2.934 2.656 3.109 . 0 0 "[ . 1 . 2]" 1
724 1 42 LEU MD2 1 42 LEU HG 1.972 . 2.458 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
725 1 44 GLN HB3 1 44 GLN HG2 2.332 . 3.012 2.461 2.387 2.562 . 0 0 "[ . 1 . 2]" 1
726 1 76 ASP H 1 76 ASP HB3 3.190 . 4.462 4.029 3.805 4.146 . 0 0 "[ . 1 . 2]" 1
727 1 44 GLN HE21 1 82 ILE MG 3.003 . 4.130 2.936 1.870 4.236 0.106 2 0 "[ . 1 . 2]" 1
728 1 80 VAL HA 1 80 VAL MG2 2.166 . 2.752 2.394 2.333 2.452 . 0 0 "[ . 1 . 2]" 1
729 1 47 ILE H 1 47 ILE HG13 2.838 . 3.845 2.817 2.728 2.900 . 0 0 "[ . 1 . 2]" 1
730 1 44 GLN HB2 1 44 GLN HE21 3.352 . 4.756 3.283 1.923 4.442 0.025 4 0 "[ . 1 . 2]" 1
731 1 73 ASP HA 1 74 VAL H 2.078 . 2.618 2.428 2.340 2.478 . 0 0 "[ . 1 . 2]" 1
732 1 42 LEU H 1 42 LEU HB3 2.527 . 3.325 3.197 2.277 3.647 0.322 15 0 "[ . 1 . 2]" 1
733 1 74 VAL H 1 82 ILE MD 3.193 . 4.467 4.037 3.722 4.511 0.044 10 0 "[ . 1 . 2]" 1
734 1 82 ILE MD 1 83 ASN H 3.138 . 4.369 4.477 4.408 4.517 0.148 14 0 "[ . 1 . 2]" 1
735 1 17 ALA MB 1 49 CYS HB2 3.057 . 4.225 3.692 3.336 3.918 . 0 0 "[ . 1 . 2]" 1
736 1 60 ILE MD 1 68 PRO HA 3.190 . 4.462 3.971 3.012 4.511 0.049 13 0 "[ . 1 . 2]" 1
737 1 4 TRP HA 1 4 TRP HE3 2.978 2.210 3.746 2.740 2.253 3.474 . 0 0 "[ . 1 . 2]" 1
738 1 73 ASP QB 1 82 ILE HG13 3.215 . 4.507 4.293 4.098 4.407 . 0 0 "[ . 1 . 2]" 1
739 1 11 CYS H 1 11 CYS HB2 3.437 . 4.913 2.995 2.782 3.202 . 0 0 "[ . 1 . 2]" 1
740 1 18 CYS HA 1 60 ILE MD 3.258 . 4.585 3.717 2.741 4.042 . 0 0 "[ . 1 . 2]" 1
741 1 52 ILE HB 1 64 CYS HA 2.579 . 3.410 3.087 2.520 3.458 0.048 15 0 "[ . 1 . 2]" 1
742 1 10 SER QB 1 87 ILE HB 3.037 . 4.190 2.362 1.873 3.373 0.011 12 0 "[ . 1 . 2]" 1
743 1 24 LYS QB 1 25 VAL H 2.737 . 3.673 2.477 2.268 2.614 . 0 0 "[ . 1 . 2]" 1
744 1 69 THR MG 1 86 PRO HG3 2.988 . 4.104 2.853 2.428 3.664 . 0 0 "[ . 1 . 2]" 1
745 1 90 ILE HA 1 90 ILE HG13 3.144 . 4.379 3.750 3.723 3.772 . 0 0 "[ . 1 . 2]" 1
746 1 9 GLY HA3 1 10 SER H 2.718 . 3.642 3.393 3.296 3.441 . 0 0 "[ . 1 . 2]" 1
747 1 55 LEU H 1 55 LEU HG 2.968 . 4.069 2.861 2.420 3.993 . 0 0 "[ . 1 . 2]" 1
748 1 63 GLU HB3 1 64 CYS H 3.096 . 4.294 2.768 2.565 4.181 . 0 0 "[ . 1 . 2]" 1
749 1 44 GLN HG2 1 83 ASN HD21 3.248 . 4.567 3.580 2.952 4.222 . 0 0 "[ . 1 . 2]" 1
750 1 44 GLN HG3 1 83 ASN HD22 3.226 . 4.526 4.064 3.475 4.531 0.005 17 0 "[ . 1 . 2]" 1
751 1 44 GLN HG2 1 83 ASN HD22 3.223 . 4.521 2.514 2.006 3.125 . 0 0 "[ . 1 . 2]" 1
752 1 42 LEU H 1 42 LEU HG 3.244 2.303 4.185 3.384 2.290 4.370 0.185 8 0 "[ . 1 . 2]" 1
753 1 8 THR H 1 8 THR HA 2.758 . 3.709 2.844 2.786 2.906 . 0 0 "[ . 1 . 2]" 1
754 1 31 GLU H 1 31 GLU HA 2.677 . 3.573 2.910 2.822 2.939 . 0 0 "[ . 1 . 2]" 1
755 1 27 LYS H 1 27 LYS HA 2.703 . 3.616 2.859 2.286 2.947 . 0 0 "[ . 1 . 2]" 1
756 1 33 SER H 1 33 SER HA 2.856 . 3.876 2.839 2.745 2.922 . 0 0 "[ . 1 . 2]" 1
757 1 23 LYS QB 1 24 LYS H 3.077 . 4.261 3.349 2.874 3.937 . 0 0 "[ . 1 . 2]" 1
758 1 56 ILE HA 1 56 ILE MG 2.209 . 2.819 2.342 2.268 2.472 . 0 0 "[ . 1 . 2]" 1
759 1 72 GLU H 1 83 ASN QB 3.075 . 4.078 2.680 2.520 2.791 . 0 0 "[ . 1 . 2]" 1
760 1 35 LEU H 1 35 LEU HG 3.043 . 4.200 3.242 2.212 4.375 0.175 17 0 "[ . 1 . 2]" 1
761 1 47 ILE H 1 47 ILE MG 2.735 . 3.670 3.010 2.817 3.165 . 0 0 "[ . 1 . 2]" 1
762 1 10 SER QB 1 11 CYS H 3.017 . 4.155 3.324 2.868 3.654 . 0 0 "[ . 1 . 2]" 1
763 1 87 ILE H 1 87 ILE MD 2.833 . 3.836 3.590 3.513 3.655 . 0 0 "[ . 1 . 2]" 1
764 1 16 LEU HA 1 71 CYS H 3.035 . 4.186 3.313 2.855 3.647 . 0 0 "[ . 1 . 2]" 1
765 1 16 LEU HA 1 69 THR H 3.245 . 4.561 4.239 3.886 4.634 0.073 10 0 "[ . 1 . 2]" 1
766 1 8 THR MG 1 10 SER QB 3.271 . 4.608 3.139 2.044 4.504 . 0 0 "[ . 1 . 2]" 1
767 1 60 ILE MD 1 64 CYS HB3 3.295 . 4.652 4.023 3.395 4.707 0.055 12 0 "[ . 1 . 2]" 1
768 1 59 ALA MB 1 61 GLU H 3.100 . 4.301 2.742 2.536 2.929 . 0 0 "[ . 1 . 2]" 1
769 1 72 GLU H 1 72 GLU HG3 3.116 . 4.330 4.085 2.461 4.459 0.129 13 0 "[ . 1 . 2]" 1
770 1 48 GLN QB 1 49 CYS H 3.104 . 4.308 3.457 2.827 3.792 . 0 0 "[ . 1 . 2]" 1
771 1 15 LYS HD3 1 74 VAL H 3.180 . 4.444 3.268 2.884 4.028 . 0 0 "[ . 1 . 2]" 1
772 1 55 LEU MD1 1 55 LEU HG 1.725 . 2.097 2.123 2.112 2.127 0.030 3 0 "[ . 1 . 2]" 1
773 1 2 SER HB2 1 3 GLY H 3.315 . 4.689 3.989 2.765 4.591 . 0 0 "[ . 1 . 2]" 1
774 1 69 THR H 1 69 THR MG 2.593 . 3.433 2.956 2.764 3.387 . 0 0 "[ . 1 . 2]" 1
775 1 68 PRO HB2 1 69 THR H 3.142 . 4.376 3.694 3.389 4.011 . 0 0 "[ . 1 . 2]" 1
776 1 24 LYS HA 1 48 GLN H 3.111 . 4.321 3.041 2.071 3.747 . 0 0 "[ . 1 . 2]" 1
777 1 61 GLU HA 1 61 GLU QG 3.132 . 3.964 3.111 2.407 3.482 . 0 0 "[ . 1 . 2]" 1
778 1 32 GLU HA 1 33 SER H 2.632 . 3.498 3.519 3.430 3.552 0.054 15 0 "[ . 1 . 2]" 1
779 1 55 LEU HB3 1 58 ILE HB 2.945 . 4.029 3.437 2.637 4.024 . 0 0 "[ . 1 . 2]" 1
780 1 68 PRO HA 1 68 PRO HG3 3.158 . 4.405 3.809 3.394 4.009 . 0 0 "[ . 1 . 2]" 1
781 1 38 THR HA 1 41 VAL MG2 3.180 . 4.444 3.536 2.528 4.533 0.089 10 0 "[ . 1 . 2]" 1
782 1 54 LEU MD1 1 54 LEU HG 2.053 . 2.580 2.125 2.120 2.127 . 0 0 "[ . 1 . 2]" 1
783 1 47 ILE HG13 1 47 ILE MG 2.165 . 2.751 3.207 3.194 3.215 0.464 12 0 "[ . 1 . 2]" 1
784 1 86 PRO HB2 1 87 ILE H 3.068 . 4.245 3.895 3.351 4.124 . 0 0 "[ . 1 . 2]" 1
785 1 19 CYS HB2 1 21 THR MG 2.966 . 4.066 3.805 3.320 4.235 0.169 5 0 "[ . 1 . 2]" 1
786 1 89 LEU HB2 1 90 ILE MG 2.349 . 3.039 3.140 3.093 3.208 0.169 10 0 "[ . 1 . 2]" 1
787 1 60 ILE HA 1 63 GLU H 3.054 . 4.220 3.504 3.136 3.858 . 0 0 "[ . 1 . 2]" 1
788 1 86 PRO HA 1 86 PRO HD2 3.142 . 4.376 3.931 3.903 4.028 . 0 0 "[ . 1 . 2]" 1
789 1 69 THR HB 1 86 PRO HA 3.114 . 4.326 3.638 3.304 4.351 0.025 12 0 "[ . 1 . 2]" 1
790 1 90 ILE HB 1 90 ILE HG12 2.877 . 3.912 3.028 3.025 3.031 . 0 0 "[ . 1 . 2]" 1
791 1 69 THR HA 1 87 ILE MG 2.698 . 3.608 3.336 2.951 3.637 0.029 13 0 "[ . 1 . 2]" 1
792 1 74 VAL HA 1 82 ILE MD 3.315 . 4.688 2.859 2.636 3.345 . 0 0 "[ . 1 . 2]" 1
793 1 63 GLU HA 1 64 CYS H 3.116 . 4.330 3.512 3.434 3.540 . 0 0 "[ . 1 . 2]" 1
794 1 88 PRO HG3 1 90 ILE MD 3.152 . 4.394 4.367 4.045 4.435 0.041 4 0 "[ . 1 . 2]" 1
795 1 88 PRO HG3 1 90 ILE HG12 3.267 . 4.601 4.591 4.211 4.784 0.183 9 0 "[ . 1 . 2]" 1
796 1 51 GLN HA 1 51 GLN HE21 3.311 . 4.681 3.759 2.662 4.105 . 0 0 "[ . 1 . 2]" 1
797 1 87 ILE HA 1 87 ILE HG12 3.037 . 4.190 3.666 3.634 3.721 . 0 0 "[ . 1 . 2]" 1
798 1 76 ASP HA 1 77 ASP H 2.255 . 2.891 2.926 2.876 2.971 0.080 7 0 "[ . 1 . 2]" 1
799 1 72 GLU H 1 82 ILE MG 2.860 . 3.882 3.401 3.251 3.547 . 0 0 "[ . 1 . 2]" 1
800 1 40 ASP HB3 1 41 VAL MG1 3.106 . 4.312 3.445 2.653 4.129 . 0 0 "[ . 1 . 2]" 1
801 1 71 CYS QB 1 84 CYS HA 3.089 . 4.281 3.699 3.543 3.976 . 0 0 "[ . 1 . 2]" 1
802 1 15 LYS QE 1 74 VAL H 3.191 . 4.464 3.437 2.688 4.160 . 0 0 "[ . 1 . 2]" 1
803 1 70 CYS H 1 87 ILE MD 3.048 . 4.210 4.051 3.489 4.234 0.024 1 0 "[ . 1 . 2]" 1
804 1 47 ILE HG13 1 81 GLY HA3 3.258 . 4.585 4.033 3.810 4.264 . 0 0 "[ . 1 . 2]" 1
805 1 60 ILE HA 1 64 CYS H 3.258 . 4.585 4.212 3.807 4.546 . 0 0 "[ . 1 . 2]" 1
806 1 51 GLN HA 1 52 ILE QG 2.950 . 4.038 3.723 3.510 3.959 . 0 0 "[ . 1 . 2]" 1
807 1 19 CYS H 1 69 THR MG 2.622 . 3.481 2.878 2.616 3.251 . 0 0 "[ . 1 . 2]" 1
808 1 67 THR H 1 67 THR MG 3.064 . 4.237 3.803 3.777 3.875 . 0 0 "[ . 1 . 2]" 1
809 1 20 ASP QB 1 21 THR H 3.090 . 4.283 3.538 3.343 3.849 . 0 0 "[ . 1 . 2]" 1
810 1 61 GLU QG 1 68 PRO HG3 3.293 . 4.648 3.787 2.439 4.424 . 0 0 "[ . 1 . 2]" 1
811 1 70 CYS H 1 86 PRO HA 3.096 . 4.294 3.878 3.683 4.010 . 0 0 "[ . 1 . 2]" 1
812 1 5 GLU H 1 59 ALA HA 3.033 . 4.183 4.059 3.831 4.250 0.067 6 0 "[ . 1 . 2]" 1
813 1 20 ASP HA 1 21 THR MG 3.074 . 4.256 3.782 3.647 3.961 . 0 0 "[ . 1 . 2]" 1
814 1 78 GLY HA3 1 80 VAL H 3.296 . 4.654 4.644 4.428 4.796 0.142 10 0 "[ . 1 . 2]" 1
815 1 89 LEU HB2 1 90 ILE H 3.116 . 4.330 3.982 3.729 4.156 . 0 0 "[ . 1 . 2]" 1
816 1 59 ALA H 1 62 ASP QB 3.366 . 4.782 3.253 2.603 4.209 . 0 0 "[ . 1 . 2]" 1
817 1 60 ILE HA 1 64 CYS HB3 3.358 . 4.767 4.834 4.669 4.929 0.162 13 0 "[ . 1 . 2]" 1
818 1 4 TRP HH2 1 63 GLU HB3 3.279 . 4.623 3.520 2.744 4.168 . 0 0 "[ . 1 . 2]" 1
819 1 89 LEU HA 1 89 LEU HB3 2.139 . 2.711 2.426 2.388 2.468 . 0 0 "[ . 1 . 2]" 1
820 1 15 LYS HD2 1 73 ASP HA 2.409 . 3.134 2.464 1.938 3.171 0.037 4 0 "[ . 1 . 2]" 1
821 1 47 ILE H 1 82 ILE HA 3.205 . 4.489 4.329 4.072 4.533 0.044 2 0 "[ . 1 . 2]" 1
822 1 47 ILE HA 1 47 ILE MD 3.270 . 4.607 4.174 4.160 4.184 . 0 0 "[ . 1 . 2]" 1
823 1 44 GLN HG2 1 45 VAL H 3.238 . 4.548 4.499 4.176 4.608 0.060 8 0 "[ . 1 . 2]" 1
824 1 12 ASN HA 1 12 ASN HD22 3.391 . 4.828 5.060 4.567 5.287 0.459 17 0 "[ . 1 . 2]" 1
825 1 12 ASN HA 1 13 THR H 3.410 . 4.864 3.468 3.428 3.499 . 0 0 "[ . 1 . 2]" 1
826 1 19 CYS HA 1 47 ILE MD 3.228 . 4.531 4.228 4.088 4.412 . 0 0 "[ . 1 . 2]" 1
827 1 19 CYS HA 1 50 THR MG 3.281 . 4.627 3.958 3.331 4.282 . 0 0 "[ . 1 . 2]" 1
828 1 49 CYS HA 1 50 THR MG 3.170 . 4.426 3.408 3.086 3.618 . 0 0 "[ . 1 . 2]" 1
829 1 19 CYS HA 1 69 THR MG 3.216 . 4.509 4.593 4.532 4.697 0.188 12 0 "[ . 1 . 2]" 1
830 1 59 ALA HA 1 60 ILE HA 3.136 . 4.365 4.354 4.295 4.400 0.035 7 0 "[ . 1 . 2]" 1
831 1 58 ILE H 1 58 ILE MD 3.301 . 4.663 4.253 4.170 4.307 . 0 0 "[ . 1 . 2]" 1
832 1 47 ILE MD 1 48 GLN H 3.238 . 4.548 4.497 4.292 4.602 0.054 10 0 "[ . 1 . 2]" 1
833 1 71 CYS HA 1 72 GLU HA 3.383 . 4.814 4.342 4.311 4.392 . 0 0 "[ . 1 . 2]" 1
834 1 87 ILE H 1 88 PRO HD3 3.297 . 4.655 4.605 4.503 4.725 0.070 12 0 "[ . 1 . 2]" 1
835 1 88 PRO HD2 1 90 ILE H 3.149 . 4.388 4.410 4.189 4.538 0.150 16 0 "[ . 1 . 2]" 1
836 1 88 PRO HA 1 90 ILE H 3.071 . 4.250 3.936 3.720 4.105 . 0 0 "[ . 1 . 2]" 1
837 1 33 SER HA 1 33 SER HB2 2.499 . 3.280 2.743 2.457 3.032 . 0 0 "[ . 1 . 2]" 1
838 1 82 ILE HB 1 83 ASN H 3.341 . 4.737 4.420 4.357 4.452 . 0 0 "[ . 1 . 2]" 1
839 1 11 CYS HB2 1 16 LEU HG 3.271 . 4.608 3.218 2.870 4.298 . 0 0 "[ . 1 . 2]" 1
840 1 11 CYS HB3 1 16 LEU HG 3.028 . 4.174 4.039 3.457 4.514 0.340 5 0 "[ . 1 . 2]" 1
841 1 7 LYS QD 1 8 THR H 3.119 . 4.335 3.111 2.057 4.324 . 0 0 "[ . 1 . 2]" 1
842 1 7 LYS QG 1 8 THR HA 3.169 . 4.424 3.799 2.830 4.328 . 0 0 "[ . 1 . 2]" 1
843 1 61 GLU HB3 1 61 GLU QG 2.601 . 3.270 2.247 2.140 2.461 . 0 0 "[ . 1 . 2]" 1
844 1 61 GLU H 1 61 GLU QG 3.477 . 4.988 2.058 1.784 2.514 0.187 10 0 "[ . 1 . 2]" 1
845 1 23 LYS HA 1 24 LYS QB 3.099 . 4.299 4.256 4.037 4.358 0.059 12 0 "[ . 1 . 2]" 1
846 1 84 CYS HA 1 85 THR HB 3.384 . 4.815 4.733 4.657 4.850 0.035 3 0 "[ . 1 . 2]" 1
847 1 69 THR HB 1 84 CYS HA 3.188 . 4.458 3.249 3.023 3.497 . 0 0 "[ . 1 . 2]" 1
848 1 81 GLY HA3 1 82 ILE MD 3.196 . 4.473 4.135 4.027 4.278 . 0 0 "[ . 1 . 2]" 1
849 1 48 GLN HA 1 79 LEU HB3 3.230 . 4.534 4.654 4.580 4.737 0.203 3 0 "[ . 1 . 2]" 1
850 1 67 THR H 1 68 PRO HD3 3.353 . 4.758 4.481 4.322 4.606 . 0 0 "[ . 1 . 2]" 1
851 1 86 PRO HA 1 86 PRO HG2 3.081 . 4.268 3.955 3.757 3.993 . 0 0 "[ . 1 . 2]" 1
852 1 23 LYS QG 1 24 LYS H 3.556 2.389 4.723 3.867 3.367 4.385 . 0 0 "[ . 1 . 2]" 1
853 1 79 LEU H 1 79 LEU QD 2.918 . 3.982 2.701 2.008 3.253 . 0 0 "[ . 1 . 2]" 1
854 1 21 THR MG 1 67 THR HB 2.526 . 3.324 3.292 2.811 3.401 0.077 8 0 "[ . 1 . 2]" 1
855 1 57 GLY H 1 58 ILE H 2.747 . 3.690 2.505 2.315 2.790 . 0 0 "[ . 1 . 2]" 1
856 1 48 GLN H 1 49 CYS H 3.486 . 5.005 4.488 4.284 4.594 . 0 0 "[ . 1 . 2]" 1
857 1 43 ASP H 1 44 GLN H 2.448 . 3.197 2.512 1.848 2.684 . 0 0 "[ . 1 . 2]" 1
858 1 45 VAL H 1 46 ALA H 3.044 . 4.202 4.277 4.171 4.418 0.216 13 0 "[ . 1 . 2]" 1
859 1 61 GLU H 1 62 ASP H 3.421 . 4.884 2.506 2.348 2.664 . 0 0 "[ . 1 . 2]" 1
860 1 54 LEU H 1 55 LEU H 3.448 2.361 4.535 4.525 4.444 4.564 0.029 14 0 "[ . 1 . 2]" 1
861 1 12 ASN HB3 1 12 ASN HD21 3.027 . 4.173 2.567 2.196 3.545 . 0 0 "[ . 1 . 2]" 1
862 1 40 ASP H 1 40 ASP HB3 2.501 . 3.283 2.879 2.439 3.583 0.300 12 0 "[ . 1 . 2]" 1
863 1 43 ASP H 1 43 ASP HB2 2.468 . 3.230 2.916 2.277 3.902 0.672 15 1 "[ . 1 + 2]" 1
864 1 52 ILE H 1 52 ILE MG 2.831 . 3.833 3.731 3.685 3.771 . 0 0 "[ . 1 . 2]" 1
865 1 90 ILE H 1 90 ILE HG12 3.153 . 4.396 2.232 2.107 2.294 . 0 0 "[ . 1 . 2]" 1
866 1 49 CYS H 1 49 CYS HB3 3.096 . 4.294 3.338 2.798 3.870 . 0 0 "[ . 1 . 2]" 1
867 1 49 CYS H 1 79 LEU HB3 3.434 . 4.908 3.805 3.611 4.390 . 0 0 "[ . 1 . 2]" 1
868 1 49 CYS H 1 79 LEU QD 3.268 . 4.603 4.013 3.722 4.513 . 0 0 "[ . 1 . 2]" 1
869 1 48 GLN HE21 1 49 CYS H 3.602 . 5.224 3.752 2.084 5.311 0.087 15 0 "[ . 1 . 2]" 1
870 1 18 CYS H 1 19 CYS H 3.621 . 5.260 4.285 4.166 4.472 . 0 0 "[ . 1 . 2]" 1
871 1 19 CYS H 1 19 CYS HB3 3.069 . 4.246 3.723 3.183 3.802 . 0 0 "[ . 1 . 2]" 1
872 1 19 CYS H 1 19 CYS HB2 2.868 . 3.896 2.613 2.494 2.701 . 0 0 "[ . 1 . 2]" 1
873 1 9 GLY H 1 10 SER QB 3.471 . 4.977 4.654 4.341 4.800 . 0 0 "[ . 1 . 2]" 1
874 1 48 GLN HA 1 48 GLN HE22 3.399 . 4.843 4.132 3.119 4.782 . 0 0 "[ . 1 . 2]" 1
875 1 48 GLN HE22 1 80 VAL MG2 3.293 . 4.649 3.854 2.200 4.935 0.286 16 0 "[ . 1 . 2]" 1
876 1 71 CYS H 1 74 VAL QG 3.670 . 5.354 4.151 3.766 4.598 . 0 0 "[ . 1 . 2]" 1
877 1 15 LYS H 1 71 CYS H 3.132 . 4.358 4.354 4.242 4.454 0.096 12 0 "[ . 1 . 2]" 1
878 1 70 CYS H 1 71 CYS H 3.652 . 5.319 4.248 4.133 4.341 . 0 0 "[ . 1 . 2]" 1
879 1 89 LEU HA 1 90 ILE H 2.299 . 2.960 2.961 2.816 3.077 0.117 7 0 "[ . 1 . 2]" 1
880 1 88 PRO HB2 1 90 ILE H 3.187 . 4.456 2.367 2.156 2.696 . 0 0 "[ . 1 . 2]" 1
881 1 88 PRO HB3 1 90 ILE H 3.694 . 5.400 3.589 3.228 4.321 . 0 0 "[ . 1 . 2]" 1
882 1 89 LEU H 1 90 ILE H 2.598 . 3.442 2.838 2.631 3.065 . 0 0 "[ . 1 . 2]" 1
883 1 72 GLU H 1 72 GLU HG2 2.805 . 3.788 3.784 2.451 4.410 0.622 16 1 "[ . 1 .+ 2]" 1
884 1 7 LYS HB2 1 8 THR H 3.202 . 4.484 4.073 3.898 4.285 . 0 0 "[ . 1 . 2]" 1
885 1 7 LYS QG 1 8 THR H 3.461 . 4.958 2.938 2.484 4.171 . 0 0 "[ . 1 . 2]" 1
886 1 8 THR H 1 8 THR MG 2.809 . 3.795 2.917 1.824 3.782 . 0 0 "[ . 1 . 2]" 1
887 1 42 LEU H 1 43 ASP HA 3.569 . 5.162 4.683 4.461 4.803 . 0 0 "[ . 1 . 2]" 1
888 1 42 LEU H 1 42 LEU HA 2.554 . 3.369 2.903 2.868 2.929 . 0 0 "[ . 1 . 2]" 1
889 1 41 VAL HB 1 42 LEU H 2.903 . 3.956 3.034 2.775 3.367 . 0 0 "[ . 1 . 2]" 1
890 1 42 LEU H 1 42 LEU HB2 2.132 . 2.700 2.475 2.151 2.945 0.245 20 0 "[ . 1 . 2]" 1
891 1 42 LEU H 1 43 ASP HB2 3.705 . 5.421 4.766 3.992 5.736 0.315 11 0 "[ . 1 . 2]" 1
892 1 20 ASP QB 1 23 LYS H 3.608 . 4.462 2.621 2.162 3.023 . 0 0 "[ . 1 . 2]" 1
893 1 21 THR HA 1 23 LYS H 3.414 . 4.871 3.765 3.401 4.662 . 0 0 "[ . 1 . 2]" 1
894 1 23 LYS H 1 47 ILE HB 3.586 . 5.194 4.132 3.754 4.881 . 0 0 "[ . 1 . 2]" 1
895 1 23 LYS H 1 23 LYS QG 2.989 . 4.105 3.185 2.591 3.856 . 0 0 "[ . 1 . 2]" 1
896 1 23 LYS H 1 47 ILE MG 3.437 . 4.914 3.948 3.324 4.704 . 0 0 "[ . 1 . 2]" 1
897 1 58 ILE H 1 58 ILE HG13 3.176 . 4.437 4.457 4.313 4.526 0.089 11 0 "[ . 1 . 2]" 1
898 1 58 ILE H 1 58 ILE MG 3.204 . 4.487 3.324 3.239 3.427 . 0 0 "[ . 1 . 2]" 1
899 1 58 ILE H 1 59 ALA H 3.395 . 4.836 4.506 4.450 4.565 . 0 0 "[ . 1 . 2]" 1
900 1 17 ALA MB 1 71 CYS H 3.633 . 5.282 4.297 4.012 4.578 . 0 0 "[ . 1 . 2]" 1
901 1 70 CYS HB2 1 71 CYS H 3.593 . 5.207 4.360 4.243 4.507 . 0 0 "[ . 1 . 2]" 1
902 1 15 LYS HB2 1 71 CYS H 3.690 . 5.392 3.239 2.943 3.910 . 0 0 "[ . 1 . 2]" 1
903 1 75 GLU H 1 75 GLU HB3 3.661 . 5.336 2.804 2.389 3.738 . 0 0 "[ . 1 . 2]" 1
904 1 74 VAL QG 1 75 GLU H 3.633 . 5.283 2.504 1.973 3.363 0.010 16 0 "[ . 1 . 2]" 1
905 1 13 THR H 1 13 THR HB 3.676 . 5.366 3.602 3.499 3.657 . 0 0 "[ . 1 . 2]" 1
906 1 12 ASN HB2 1 13 THR H 3.573 . 5.169 3.852 2.814 4.151 . 0 0 "[ . 1 . 2]" 1
907 1 13 THR H 1 13 THR MG 3.520 . 5.069 2.723 2.376 3.069 . 0 0 "[ . 1 . 2]" 1
908 1 47 ILE H 1 47 ILE MD 3.719 . 5.448 3.775 3.666 3.908 . 0 0 "[ . 1 . 2]" 1
909 1 34 GLY H 1 34 GLY HA2 2.413 . 3.141 2.836 2.754 2.925 . 0 0 "[ . 1 . 2]" 1
910 1 34 GLY H 1 35 LEU H 3.070 . 4.248 2.705 2.426 3.330 . 0 0 "[ . 1 . 2]" 1
911 1 37 HIS HA 1 39 GLY H 3.090 . 4.284 3.780 3.287 4.328 0.044 15 0 "[ . 1 . 2]" 1
912 1 29 THR MG 1 30 GLY H 3.375 . 4.799 3.241 2.276 3.827 . 0 0 "[ . 1 . 2]" 1
913 1 38 THR HA 1 39 GLY H 2.602 . 3.448 3.451 3.313 3.509 0.061 8 0 "[ . 1 . 2]" 1
914 1 29 THR HA 1 30 GLY H 2.577 . 3.407 2.912 2.185 3.551 0.144 18 0 "[ . 1 . 2]" 1
915 1 68 PRO HB3 1 69 THR H 3.177 . 4.438 4.006 3.841 4.139 . 0 0 "[ . 1 . 2]" 1
916 1 17 ALA MB 1 69 THR H 3.417 . 4.876 4.182 3.935 4.377 . 0 0 "[ . 1 . 2]" 1
917 1 60 ILE MD 1 69 THR H 3.423 . 4.888 4.342 3.215 4.928 0.040 20 0 "[ . 1 . 2]" 1
918 1 69 THR H 1 69 THR HB 3.490 . 5.013 3.802 3.620 3.881 . 0 0 "[ . 1 . 2]" 1
919 1 69 THR H 1 87 ILE HG12 3.176 . 4.437 3.877 3.652 4.106 . 0 0 "[ . 1 . 2]" 1
920 1 17 ALA H 1 69 THR H 3.167 . 4.421 2.954 2.479 3.447 . 0 0 "[ . 1 . 2]" 1
921 1 69 THR H 1 70 CYS H 3.480 . 4.994 4.423 4.397 4.484 . 0 0 "[ . 1 . 2]" 1
922 1 37 HIS HA 1 38 THR H 3.237 . 4.547 3.344 3.175 3.586 . 0 0 "[ . 1 . 2]" 1
923 1 38 THR H 1 38 THR MG 3.720 . 5.450 3.140 2.200 3.782 . 0 0 "[ . 1 . 2]" 1
924 1 5 GLU H 1 16 LEU MD2 3.612 . 5.242 3.714 2.854 4.418 . 0 0 "[ . 1 . 2]" 1
925 1 4 TRP HA 1 5 GLU H 2.723 . 3.650 2.384 2.174 2.677 . 0 0 "[ . 1 . 2]" 1
926 1 4 TRP HB3 1 5 GLU H 3.073 . 4.253 2.439 1.874 3.074 0.019 11 0 "[ . 1 . 2]" 1
927 1 4 TRP HB2 1 5 GLU H 3.427 . 4.895 3.732 3.191 4.118 . 0 0 "[ . 1 . 2]" 1
928 1 4 TRP HE3 1 5 GLU H 3.455 . 4.947 2.739 2.230 3.307 . 0 0 "[ . 1 . 2]" 1
929 1 79 LEU H 1 79 LEU HB3 2.818 . 3.811 3.613 3.546 3.662 . 0 0 "[ . 1 . 2]" 1
930 1 76 ASP HB3 1 79 LEU H 3.678 . 5.369 2.915 2.027 3.444 . 0 0 "[ . 1 . 2]" 1
931 1 79 LEU H 1 80 VAL H 3.095 . 4.293 2.354 2.250 2.470 . 0 0 "[ . 1 . 2]" 1
932 1 44 GLN H 1 82 ILE MG 3.380 . 4.808 4.848 4.687 4.903 0.095 1 0 "[ . 1 . 2]" 1
933 1 44 GLN H 1 44 GLN HA 2.068 . 2.603 2.721 2.693 2.750 0.147 10 0 "[ . 1 . 2]" 1
934 1 40 ASP HB2 1 41 VAL H 2.705 . 3.620 3.545 2.835 4.006 0.386 14 0 "[ . 1 . 2]" 1
935 1 44 GLN H 1 44 GLN HG3 2.773 . 3.734 1.930 1.790 2.144 0.022 1 0 "[ . 1 . 2]" 1
936 1 41 VAL HB 1 44 GLN H 2.431 . 3.170 3.273 2.930 3.369 0.199 14 0 "[ . 1 . 2]" 1
937 1 44 GLN H 1 44 GLN HB2 2.366 . 3.066 2.806 2.645 2.885 . 0 0 "[ . 1 . 2]" 1
938 1 41 VAL H 1 41 VAL MG2 2.308 . 2.974 1.954 1.723 2.463 . 0 0 "[ . 1 . 2]" 1
939 1 84 CYS HB2 1 85 THR H 3.365 . 4.781 4.429 4.310 4.602 . 0 0 "[ . 1 . 2]" 1
940 1 85 THR H 1 85 THR MG 3.137 . 4.367 3.789 3.767 3.834 . 0 0 "[ . 1 . 2]" 1
941 1 71 CYS HA 1 85 THR H 2.806 . 3.790 3.606 3.457 3.793 0.003 13 0 "[ . 1 . 2]" 1
942 1 65 LYS H 1 65 LYS QB 3.622 . 5.262 2.501 2.347 2.633 . 0 0 "[ . 1 . 2]" 1
943 1 64 CYS HA 1 65 LYS H 3.473 . 4.981 2.439 2.270 2.696 . 0 0 "[ . 1 . 2]" 1
944 1 11 CYS HA 1 12 ASN HD21 3.602 . 5.224 3.987 3.578 5.423 0.199 13 0 "[ . 1 . 2]" 1
945 1 12 ASN HD21 1 13 THR MG 3.487 . 5.007 3.775 1.936 4.863 0.031 13 0 "[ . 1 . 2]" 1
946 1 10 SER H 1 10 SER HA 2.694 . 3.601 2.865 2.811 2.928 . 0 0 "[ . 1 . 2]" 1
947 1 10 SER H 1 10 SER QB 2.389 . 3.102 2.598 2.306 2.782 . 0 0 "[ . 1 . 2]" 1
948 1 10 SER H 1 87 ILE MG 3.455 . 4.947 4.651 4.220 4.933 . 0 0 "[ . 1 . 2]" 1
949 1 10 SER H 1 11 CYS H 3.558 . 5.141 2.462 2.195 2.638 . 0 0 "[ . 1 . 2]" 1
950 1 33 SER H 1 73 ASP HA 3.201 . 4.482 4.509 4.127 4.705 0.223 11 0 "[ . 1 . 2]" 1
951 1 32 GLU HG2 1 33 SER H 3.623 . 5.264 4.512 3.498 5.179 . 0 0 "[ . 1 . 2]" 1
952 1 32 GLU HB2 1 33 SER H 3.548 . 5.121 2.758 2.195 3.921 . 0 0 "[ . 1 . 2]" 1
953 1 32 GLU HB3 1 33 SER H 3.635 . 5.286 3.464 2.069 4.009 . 0 0 "[ . 1 . 2]" 1
954 1 32 GLU H 1 33 SER H 3.302 . 4.665 2.325 2.045 2.628 . 0 0 "[ . 1 . 2]" 1
955 1 77 ASP H 1 77 ASP HB2 3.210 . 4.498 2.493 2.235 3.621 . 0 0 "[ . 1 . 2]" 1
956 1 77 ASP H 1 77 ASP HA 2.235 . 2.859 2.870 2.832 2.888 0.029 15 0 "[ . 1 . 2]" 1
957 1 77 ASP H 1 78 GLY H 3.264 . 4.596 2.760 2.536 2.978 . 0 0 "[ . 1 . 2]" 1
958 1 19 CYS H 1 67 THR HB 3.528 . 5.084 3.556 3.367 3.840 . 0 0 "[ . 1 . 2]" 1
959 1 17 ALA MB 1 19 CYS H 3.658 . 5.330 4.354 4.160 4.654 . 0 0 "[ . 1 . 2]" 1
960 1 19 CYS H 1 47 ILE MD 3.496 . 5.023 4.557 4.376 4.815 . 0 0 "[ . 1 . 2]" 1
961 1 11 CYS HA 1 12 ASN HD22 3.589 . 5.199 4.809 4.156 5.212 0.013 17 0 "[ . 1 . 2]" 1
962 1 12 ASN HD22 1 13 THR MG 3.425 . 4.892 3.366 2.412 5.148 0.256 11 0 "[ . 1 . 2]" 1
963 1 73 ASP H 1 73 ASP QB 3.138 . 3.962 2.843 2.781 2.916 . 0 0 "[ . 1 . 2]" 1
964 1 73 ASP H 1 81 GLY HA2 3.549 . 5.123 4.879 4.640 5.041 . 0 0 "[ . 1 . 2]" 1
965 1 37 HIS HA 1 40 ASP H 3.236 . 4.545 3.762 3.225 4.447 . 0 0 "[ . 1 . 2]" 1
966 1 39 GLY HA3 1 40 ASP H 2.551 . 3.365 3.268 2.965 3.378 0.013 16 0 "[ . 1 . 2]" 1
967 1 39 GLY HA2 1 40 ASP H 2.560 . 3.379 3.242 3.099 3.430 0.051 6 0 "[ . 1 . 2]" 1
968 1 40 ASP H 1 41 VAL MG2 3.606 . 5.232 3.518 3.107 4.039 . 0 0 "[ . 1 . 2]" 1
969 1 63 GLU QG 1 64 CYS H 3.430 . 4.900 3.808 2.636 4.183 . 0 0 "[ . 1 . 2]" 1
970 1 63 GLU HB2 1 64 CYS H 3.214 . 4.505 3.852 3.761 4.050 . 0 0 "[ . 1 . 2]" 1
971 1 52 ILE HB 1 64 CYS H 3.654 . 5.323 4.859 4.393 5.368 0.045 1 0 "[ . 1 . 2]" 1
972 1 63 GLU H 1 64 CYS H 2.576 . 3.405 2.455 2.090 2.605 . 0 0 "[ . 1 . 2]" 1
973 1 62 ASP H 1 64 CYS H 3.477 . 4.988 3.906 3.630 4.286 . 0 0 "[ . 1 . 2]" 1
974 1 21 THR H 1 21 THR HB 2.956 . 4.048 3.606 3.577 3.653 . 0 0 "[ . 1 . 2]" 1
975 1 21 THR H 1 67 THR HB 3.216 . 4.509 4.046 3.730 4.448 . 0 0 "[ . 1 . 2]" 1
976 1 21 THR H 1 21 THR HA 2.601 . 3.447 2.863 2.817 2.913 . 0 0 "[ . 1 . 2]" 1
977 1 21 THR H 1 47 ILE HB 3.667 . 5.348 4.982 4.713 5.172 . 0 0 "[ . 1 . 2]" 1
978 1 21 THR H 1 21 THR MG 2.291 . 2.947 2.376 2.215 2.617 . 0 0 "[ . 1 . 2]" 1
979 1 21 THR H 1 47 ILE MG 3.391 . 4.829 4.682 4.523 4.820 . 0 0 "[ . 1 . 2]" 1
980 1 21 THR H 1 47 ILE MD 3.306 . 4.672 3.766 3.355 4.108 . 0 0 "[ . 1 . 2]" 1
981 1 21 THR H 1 23 LYS H 3.376 . 4.801 3.990 3.829 4.155 . 0 0 "[ . 1 . 2]" 1
982 1 20 ASP HA 1 21 THR H 2.060 . 2.591 2.145 2.100 2.205 . 0 0 "[ . 1 . 2]" 1
983 1 31 GLU H 1 31 GLU HG3 2.996 . 4.118 3.065 2.402 4.588 0.470 12 0 "[ . 1 . 2]" 1
984 1 31 GLU H 1 31 GLU HB2 3.061 . 4.232 2.514 2.295 2.948 . 0 0 "[ . 1 . 2]" 1
985 1 31 GLU H 1 31 GLU HB3 2.579 . 3.410 3.524 2.402 3.713 0.303 8 0 "[ . 1 . 2]" 1
986 1 28 SER HA 1 29 THR H 2.488 . 3.262 2.655 2.151 3.498 0.236 6 0 "[ . 1 . 2]" 1
987 1 28 SER HB3 1 29 THR H 3.162 . 4.411 4.273 3.044 4.615 0.204 14 0 "[ . 1 . 2]" 1
988 1 29 THR H 1 29 THR MG 3.073 . 4.253 3.426 2.583 4.003 . 0 0 "[ . 1 . 2]" 1
989 1 29 THR H 1 29 THR HB 3.379 . 4.806 3.190 2.592 3.790 . 0 0 "[ . 1 . 2]" 1
990 1 67 THR H 1 67 THR HB 2.519 . 3.312 2.632 2.519 2.688 . 0 0 "[ . 1 . 2]" 1
991 1 67 THR H 1 68 PRO HD2 3.468 . 4.971 4.983 4.894 5.039 0.068 4 0 "[ . 1 . 2]" 1
992 1 26 GLN QB 1 26 GLN HE21 3.538 . 5.102 3.240 1.731 4.003 0.243 4 0 "[ . 1 . 2]" 1
993 1 55 LEU HB3 1 56 ILE H 2.747 . 3.690 3.185 2.700 3.660 . 0 0 "[ . 1 . 2]" 1
994 1 56 ILE H 1 56 ILE MG 2.848 . 3.862 3.777 3.751 3.799 . 0 0 "[ . 1 . 2]" 1
995 1 62 ASP HA 1 63 GLU H 3.463 . 4.962 3.395 3.195 3.477 . 0 0 "[ . 1 . 2]" 1
996 1 63 GLU H 1 63 GLU QG 3.169 . 4.425 3.907 1.879 4.105 0.034 12 0 "[ . 1 . 2]" 1
997 1 58 ILE MG 1 63 GLU H 3.713 . 5.436 3.196 2.866 3.647 . 0 0 "[ . 1 . 2]" 1
998 1 48 GLN HE21 1 80 VAL MG2 3.404 . 4.853 3.517 2.263 4.952 0.099 15 0 "[ . 1 . 2]" 1
999 1 65 LYS QB 1 66 ASN H 3.416 . 4.874 3.857 3.681 4.005 . 0 0 "[ . 1 . 2]" 1
1000 1 64 CYS HA 1 66 ASN H 3.319 . 4.696 4.338 3.806 4.674 . 0 0 "[ . 1 . 2]" 1
1001 1 66 ASN H 1 66 ASN HB3 2.971 . 4.074 3.705 2.844 3.843 . 0 0 "[ . 1 . 2]" 1
1002 1 66 ASN H 1 66 ASN HB2 2.638 . 3.508 2.610 2.349 2.783 . 0 0 "[ . 1 . 2]" 1
1003 1 65 LYS HD2 1 66 ASN H 3.658 . 5.331 5.402 3.851 6.275 0.944 8 8 "[ * * + 1-* ** *2]" 1
1004 1 65 LYS H 1 66 ASN H 3.048 . 4.209 2.815 2.332 3.322 . 0 0 "[ . 1 . 2]" 1
1005 1 66 ASN H 1 67 THR H 3.374 . 4.797 4.306 4.013 4.373 . 0 0 "[ . 1 . 2]" 1
1006 1 47 ILE HG12 1 48 GLN H 3.380 . 4.808 4.873 4.703 4.941 0.133 7 0 "[ . 1 . 2]" 1
1007 1 47 ILE HB 1 48 GLN H 2.395 . 3.112 2.532 2.297 2.674 . 0 0 "[ . 1 . 2]" 1
1008 1 23 LYS QB 1 48 GLN H 3.153 . 4.396 3.150 2.414 3.837 . 0 0 "[ . 1 . 2]" 1
1009 1 47 ILE HA 1 48 GLN H 2.464 . 3.223 2.309 2.225 2.431 . 0 0 "[ . 1 . 2]" 1
1010 1 4 TRP H 1 4 TRP HA 2.937 . 4.015 2.920 2.872 2.946 . 0 0 "[ . 1 . 2]" 1
1011 1 4 TRP H 1 4 TRP HB3 3.174 2.280 4.068 3.649 3.516 3.800 . 0 0 "[ . 1 . 2]" 1
1012 1 4 TRP H 1 4 TRP HB2 2.399 . 3.118 2.448 2.218 2.672 . 0 0 "[ . 1 . 2]" 1
1013 1 4 TRP H 1 16 LEU HB2 3.402 . 4.849 4.571 3.950 4.902 0.053 8 0 "[ . 1 . 2]" 1
1014 1 4 TRP H 1 4 TRP HD1 2.903 . 3.957 3.421 3.042 3.984 0.027 20 0 "[ . 1 . 2]" 1
1015 1 4 TRP H 1 5 GLU H 3.379 . 4.806 4.477 4.383 4.579 . 0 0 "[ . 1 . 2]" 1
1016 1 44 GLN HE21 1 44 GLN HG2 2.622 . 3.481 2.857 2.195 3.506 0.025 4 0 "[ . 1 . 2]" 1
1017 1 41 VAL MG2 1 44 GLN HE21 3.361 . 4.773 3.469 2.554 4.201 . 0 0 "[ . 1 . 2]" 1
1018 1 66 ASN HB3 1 66 ASN HD21 2.941 . 4.023 3.235 2.161 3.472 . 0 0 "[ . 1 . 2]" 1
1019 1 36 LEU HA 1 37 HIS H 3.171 . 4.428 2.439 2.175 2.638 . 0 0 "[ . 1 . 2]" 1
1020 1 75 GLU HB3 1 76 ASP H 2.764 . 3.719 3.339 2.241 3.779 0.060 5 0 "[ . 1 . 2]" 1
1021 1 22 ASN HA 1 22 ASN HD22 3.701 . 5.413 4.510 3.488 5.349 . 0 0 "[ . 1 . 2]" 1
1022 1 80 VAL H 1 80 VAL MG1 3.636 . 5.289 3.878 3.824 3.916 . 0 0 "[ . 1 . 2]" 1
1023 1 80 VAL H 1 80 VAL MG2 3.120 . 4.337 2.783 2.656 2.954 . 0 0 "[ . 1 . 2]" 1
1024 1 79 LEU HB2 1 80 VAL H 3.598 . 5.216 3.043 2.867 3.230 . 0 0 "[ . 1 . 2]" 1
1025 1 44 GLN HE22 1 82 ILE MG 3.235 . 4.543 3.016 2.305 3.834 . 0 0 "[ . 1 . 2]" 1
1026 1 44 GLN HE22 1 82 ILE MD 3.709 . 5.428 4.603 3.967 5.051 . 0 0 "[ . 1 . 2]" 1
1027 1 44 GLN HE22 1 44 GLN HG2 3.079 . 4.264 3.771 3.470 4.071 . 0 0 "[ . 1 . 2]" 1
1028 1 41 VAL MG2 1 44 GLN HE22 3.353 . 4.758 4.158 3.140 4.771 0.013 15 0 "[ . 1 . 2]" 1
1029 1 70 CYS H 1 70 CYS HB2 2.826 . 3.824 2.901 2.491 3.107 . 0 0 "[ . 1 . 2]" 1
1030 1 70 CYS H 1 70 CYS HB3 2.859 . 3.881 2.620 2.346 3.730 . 0 0 "[ . 1 . 2]" 1
1031 1 16 LEU MD1 1 17 ALA H 3.476 . 4.986 4.579 4.521 4.608 . 0 0 "[ . 1 . 2]" 1
1032 1 22 ASN H 1 23 LYS QB 3.668 . 4.910 3.835 3.462 4.030 . 0 0 "[ . 1 . 2]" 1
1033 1 20 ASP QB 1 22 ASN H 3.567 . 4.882 2.904 2.524 3.827 . 0 0 "[ . 1 . 2]" 1
1034 1 22 ASN H 1 23 LYS QG 3.950 2.462 5.438 4.305 3.533 5.216 . 0 0 "[ . 1 . 2]" 1
1035 1 21 THR MG 1 22 ASN H 3.326 . 4.709 4.195 4.065 4.286 . 0 0 "[ . 1 . 2]" 1
1036 1 22 ASN H 1 23 LYS HA 3.474 . 4.983 4.733 4.604 4.888 . 0 0 "[ . 1 . 2]" 1
1037 1 21 THR HB 1 22 ASN H 3.415 . 4.873 4.187 4.084 4.267 . 0 0 "[ . 1 . 2]" 1
1038 1 20 ASP HA 1 22 ASN H 2.992 . 4.111 3.466 3.262 3.815 . 0 0 "[ . 1 . 2]" 1
1039 1 22 ASN H 1 22 ASN HD21 3.769 2.433 5.105 4.257 2.415 4.823 0.018 1 0 "[ . 1 . 2]" 1
1040 1 22 ASN H 1 23 LYS H 2.222 . 2.839 2.033 1.875 2.202 . 0 0 "[ . 1 . 2]" 1
1041 1 22 ASN H 1 22 ASN HD22 3.530 . 5.088 4.601 3.659 5.101 0.013 18 0 "[ . 1 . 2]" 1
1042 1 24 LYS H 1 24 LYS HG3 2.811 . 3.799 3.799 2.271 4.228 0.429 16 0 "[ . 1 . 2]" 1
1043 1 24 LYS H 1 24 LYS HG2 3.002 . 4.128 3.669 1.877 4.322 0.194 8 0 "[ . 1 . 2]" 1
1044 1 24 LYS H 1 25 VAL MG2 3.437 . 4.914 4.756 4.518 4.977 0.063 14 0 "[ . 1 . 2]" 1
1045 1 23 LYS H 1 24 LYS H 3.144 . 4.379 4.255 3.947 4.493 0.114 3 0 "[ . 1 . 2]" 1
1046 1 24 LYS H 1 25 VAL H 3.225 . 4.525 4.488 4.419 4.547 0.022 15 0 "[ . 1 . 2]" 1
1047 1 82 ILE MG 1 83 ASN HD22 3.253 . 4.576 3.189 3.022 3.437 . 0 0 "[ . 1 . 2]" 1
1048 1 80 VAL HA 1 81 GLY H 2.819 . 3.812 2.163 2.147 2.196 . 0 0 "[ . 1 . 2]" 1
1049 1 80 VAL MG2 1 81 GLY H 3.225 . 4.525 4.182 4.085 4.281 . 0 0 "[ . 1 . 2]" 1
1050 1 80 VAL MG1 1 81 GLY H 3.266 2.310 4.222 3.111 2.939 3.283 . 0 0 "[ . 1 . 2]" 1
1051 1 47 ILE HG13 1 81 GLY H 3.211 . 4.500 3.724 3.463 3.993 . 0 0 "[ . 1 . 2]" 1
1052 1 32 GLU H 1 32 GLU HG2 2.987 . 4.102 3.239 2.243 4.548 0.446 8 0 "[ . 1 . 2]" 1
1053 1 32 GLU H 1 73 ASP HA 3.462 . 4.960 4.724 3.825 5.162 0.202 1 0 "[ . 1 . 2]" 1
1054 1 32 GLU H 1 32 GLU HA 2.228 . 2.848 2.902 2.853 2.934 0.086 2 0 "[ . 1 . 2]" 1
1055 1 32 GLU H 1 32 GLU HB2 2.766 . 3.723 2.474 2.357 2.861 . 0 0 "[ . 1 . 2]" 1
1056 1 32 GLU H 1 32 GLU HB3 2.693 . 3.600 3.509 2.358 3.710 0.110 2 0 "[ . 1 . 2]" 1
1057 1 45 VAL QG 1 46 ALA H 2.871 . 3.902 2.864 2.443 3.157 . 0 0 "[ . 1 . 2]" 1
1058 1 46 ALA H 1 47 ILE MG 3.286 . 4.636 4.244 4.023 4.533 . 0 0 "[ . 1 . 2]" 1
1059 1 89 LEU H 1 89 LEU MD1 3.241 . 4.554 3.715 3.596 3.817 . 0 0 "[ . 1 . 2]" 1
1060 1 89 LEU H 1 89 LEU MD2 2.986 . 4.101 3.300 3.122 3.434 . 0 0 "[ . 1 . 2]" 1
1061 1 88 PRO HG3 1 89 LEU H 3.448 . 4.934 4.966 4.883 5.149 0.215 12 0 "[ . 1 . 2]" 1
1062 1 20 ASP H 1 50 THR MG 3.468 . 4.971 4.608 3.906 4.978 0.007 12 0 "[ . 1 . 2]" 1
1063 1 19 CYS HB3 1 20 ASP H 2.667 . 3.556 2.693 2.439 3.055 . 0 0 "[ . 1 . 2]" 1
1064 1 19 CYS HB2 1 20 ASP H 3.057 . 4.225 3.806 3.618 4.044 . 0 0 "[ . 1 . 2]" 1
1065 1 20 ASP H 1 23 LYS QB 3.686 . 5.384 3.974 3.423 4.542 . 0 0 "[ . 1 . 2]" 1
1066 1 20 ASP H 1 47 ILE MG 3.460 . 4.956 5.001 4.896 5.083 0.127 16 0 "[ . 1 . 2]" 1
1067 1 20 ASP H 1 48 GLN QB 3.287 . 4.638 3.960 3.541 4.467 . 0 0 "[ . 1 . 2]" 1
1068 1 20 ASP H 1 47 ILE MD 3.208 . 4.495 3.641 3.417 3.953 . 0 0 "[ . 1 . 2]" 1
1069 1 16 LEU H 1 16 LEU HB3 2.644 . 3.518 3.574 3.557 3.602 0.084 3 0 "[ . 1 . 2]" 1
1070 1 16 LEU H 1 16 LEU HB2 3.012 . 4.146 2.337 2.306 2.384 . 0 0 "[ . 1 . 2]" 1
1071 1 16 LEU H 1 16 LEU MD1 3.092 . 4.287 2.289 2.237 2.345 . 0 0 "[ . 1 . 2]" 1
1072 1 15 LYS HB2 1 16 LEU H 3.545 . 5.116 4.501 4.455 4.593 . 0 0 "[ . 1 . 2]" 1
1073 1 18 CYS HB3 1 50 THR H 3.374 . 4.797 4.464 2.999 4.843 0.046 6 0 "[ . 1 . 2]" 1
1074 1 49 CYS HB2 1 50 THR H 2.959 . 4.053 3.835 3.483 4.063 0.010 1 0 "[ . 1 . 2]" 1
1075 1 50 THR H 1 50 THR MG 2.766 . 3.723 2.541 2.374 2.645 . 0 0 "[ . 1 . 2]" 1
1076 1 18 CYS HB2 1 50 THR H 3.470 . 4.975 3.633 3.017 4.628 . 0 0 "[ . 1 . 2]" 1
1077 1 18 CYS H 1 50 THR H 3.499 . 5.030 4.030 3.738 4.343 . 0 0 "[ . 1 . 2]" 1
1078 1 74 VAL H 1 74 VAL QG 3.013 . 4.148 2.532 2.236 2.629 . 0 0 "[ . 1 . 2]" 1
1079 1 50 THR MG 1 51 GLN H 3.273 . 4.612 3.938 3.585 4.254 . 0 0 "[ . 1 . 2]" 1
1080 1 51 GLN H 1 79 LEU QD 3.219 . 4.514 3.755 3.158 4.160 . 0 0 "[ . 1 . 2]" 1
1081 1 51 GLN H 1 51 GLN QG 3.164 . 4.415 4.110 3.871 4.168 . 0 0 "[ . 1 . 2]" 1
1082 1 68 PRO HB2 1 87 ILE H 3.555 . 5.134 3.697 2.962 4.105 . 0 0 "[ . 1 . 2]" 1
1083 1 67 THR MG 1 87 ILE H 3.606 . 5.231 3.883 3.481 4.240 . 0 0 "[ . 1 . 2]" 1
1084 1 87 ILE H 1 87 ILE HG12 2.665 . 3.553 1.942 1.805 2.074 . 0 0 "[ . 1 . 2]" 1
1085 1 87 ILE H 1 88 PRO HD2 3.644 . 5.304 5.342 5.070 5.422 0.118 11 0 "[ . 1 . 2]" 1
1086 1 61 GLU HB2 1 62 ASP H 3.587 . 5.196 3.664 2.602 4.184 . 0 0 "[ . 1 . 2]" 1
1087 1 54 LEU H 1 54 LEU HA 2.173 . 2.763 2.825 2.768 2.903 0.140 4 0 "[ . 1 . 2]" 1
1088 1 53 PRO HB3 1 54 LEU H 3.285 . 4.634 3.795 3.338 4.084 . 0 0 "[ . 1 . 2]" 1
1089 1 54 LEU H 1 54 LEU HB3 2.276 . 2.924 3.041 2.578 3.607 0.683 8 8 "[ ** .* + 1- * * *2]" 1
1090 1 45 VAL HB 1 84 CYS H 3.593 . 5.207 4.311 3.195 5.286 0.079 11 0 "[ . 1 . 2]" 1
1091 1 47 ILE MD 1 84 CYS H 3.554 . 5.133 3.725 3.534 3.870 . 0 0 "[ . 1 . 2]" 1
1092 1 84 CYS H 1 85 THR H 3.732 . 5.473 4.191 4.039 4.347 . 0 0 "[ . 1 . 2]" 1
1093 1 35 LEU H 1 35 LEU HA 2.671 . 3.563 2.862 2.708 2.916 . 0 0 "[ . 1 . 2]" 1
1094 1 34 GLY HA2 1 35 LEU H 2.424 . 3.159 3.424 2.778 3.563 0.404 9 0 "[ . 1 . 2]" 1
1095 1 35 LEU H 1 35 LEU QB 2.273 . 2.919 2.365 2.141 2.600 . 0 0 "[ . 1 . 2]" 1
1096 1 35 LEU H 1 35 LEU MD1 3.380 . 4.808 3.359 1.621 4.174 0.331 1 0 "[ . 1 . 2]" 1
1097 1 56 ILE HG13 1 57 GLY H 3.437 . 4.914 4.832 4.082 5.140 0.226 5 0 "[ . 1 . 2]" 1
1098 1 57 GLY H 1 57 GLY HA3 2.369 . 3.071 2.901 2.819 2.944 . 0 0 "[ . 1 . 2]" 1
1099 1 56 ILE HB 1 57 GLY H 2.825 . 3.822 3.988 3.921 4.035 0.213 19 0 "[ . 1 . 2]" 1
1100 1 56 ILE HG12 1 57 GLY H 3.572 . 5.167 4.692 4.356 5.158 . 0 0 "[ . 1 . 2]" 1
1101 1 56 ILE H 1 57 GLY H 3.235 . 4.543 4.537 4.478 4.566 0.023 4 0 "[ . 1 . 2]" 1
1102 1 34 GLY HA2 1 36 LEU H 3.624 . 5.265 4.316 3.730 5.270 0.005 6 0 "[ . 1 . 2]" 1
1103 1 35 LEU QB 1 36 LEU H 2.331 . 3.010 2.611 2.092 2.951 . 0 0 "[ . 1 . 2]" 1
1104 1 36 LEU H 1 37 HIS H 3.469 . 4.973 4.422 3.930 4.604 . 0 0 "[ . 1 . 2]" 1
1105 1 25 VAL HB 1 26 GLN H 2.677 . 3.573 3.647 3.447 3.726 0.153 19 0 "[ . 1 . 2]" 1
1106 1 26 GLN H 1 46 ALA MB 3.496 . 5.024 4.853 4.467 5.104 0.080 12 0 "[ . 1 . 2]" 1
1107 1 25 VAL MG1 1 26 GLN H 2.544 . 3.353 2.120 2.003 2.263 . 0 0 "[ . 1 . 2]" 1
1108 1 25 VAL HA 1 26 GLN H 2.037 . 2.556 2.280 2.236 2.328 . 0 0 "[ . 1 . 2]" 1
1109 1 45 VAL QG 1 83 ASN H 3.313 . 4.685 3.232 2.061 4.032 . 0 0 "[ . 1 . 2]" 1
1110 1 82 ILE HG12 1 83 ASN H 3.651 . 5.317 5.281 5.123 5.344 0.027 9 0 "[ . 1 . 2]" 1
1111 1 83 ASN H 1 83 ASN HA 1.961 . 2.442 2.272 2.265 2.288 . 0 0 "[ . 1 . 2]" 1
1112 1 46 ALA MB 1 83 ASN H 3.436 . 4.912 4.555 4.245 4.810 . 0 0 "[ . 1 . 2]" 1
1113 1 82 ILE H 1 83 ASN H 3.464 . 4.964 4.322 4.250 4.407 . 0 0 "[ . 1 . 2]" 1
1114 1 46 ALA HA 1 83 ASN H 3.277 . 4.620 3.585 3.201 3.964 . 0 0 "[ . 1 . 2]" 1
1115 1 83 ASN H 1 84 CYS H 2.853 . 3.870 2.706 2.604 2.828 . 0 0 "[ . 1 . 2]" 1
1116 1 58 ILE MD 1 59 ALA H 3.564 . 5.152 2.088 1.997 2.215 . 0 0 "[ . 1 . 2]" 1
1117 1 27 LYS H 1 27 LYS HB2 2.597 . 3.440 2.708 2.425 3.928 0.488 6 0 "[ . 1 . 2]" 1
1118 1 27 LYS H 1 27 LYS QG 2.903 . 3.956 2.791 2.191 3.406 . 0 0 "[ . 1 . 2]" 1
1119 1 27 LYS H 1 27 LYS HE2 3.731 . 5.471 5.269 4.285 6.184 0.713 3 5 "[ + . * * * . -]" 1
1120 1 45 VAL H 1 83 ASN HA 3.033 . 4.183 2.889 2.563 3.356 . 0 0 "[ . 1 . 2]" 1
1121 1 45 VAL H 1 45 VAL QG 2.425 . 3.160 2.339 2.028 2.633 . 0 0 "[ . 1 . 2]" 1
1122 1 25 VAL H 1 25 VAL HB 2.311 . 2.979 2.785 2.675 2.916 . 0 0 "[ . 1 . 2]" 1
1123 1 25 VAL H 1 25 VAL MG2 2.304 . 2.967 2.413 2.125 2.591 . 0 0 "[ . 1 . 2]" 1
1124 1 45 VAL H 1 83 ASN HD22 3.419 . 4.880 3.786 3.476 4.162 . 0 0 "[ . 1 . 2]" 1
1125 1 25 VAL H 1 47 ILE HA 2.630 . 3.494 2.845 2.683 2.978 . 0 0 "[ . 1 . 2]" 1
1126 1 45 VAL H 1 83 ASN H 3.055 . 4.221 2.698 2.248 3.131 . 0 0 "[ . 1 . 2]" 1
1127 1 73 ASP QB 1 82 ILE H 3.490 . 5.012 3.753 3.435 4.032 . 0 0 "[ . 1 . 2]" 1
1128 1 82 ILE H 1 82 ILE MD 3.172 . 4.429 2.529 2.367 2.656 . 0 0 "[ . 1 . 2]" 1
1129 1 73 ASP H 1 82 ILE H 3.167 . 4.421 3.079 2.970 3.180 . 0 0 "[ . 1 . 2]" 1
1130 1 74 VAL HA 1 82 ILE H 3.053 . 4.218 2.778 2.566 3.047 . 0 0 "[ . 1 . 2]" 1
1131 1 72 GLU H 1 82 ILE H 3.489 . 5.010 4.325 4.144 4.568 . 0 0 "[ . 1 . 2]" 1
1132 1 81 GLY H 1 82 ILE H 3.638 . 5.292 4.501 4.445 4.543 . 0 0 "[ . 1 . 2]" 1
1133 1 28 SER H 1 28 SER HB3 3.066 . 4.241 3.404 2.757 3.941 . 0 0 "[ . 1 . 2]" 1
1134 1 27 LYS HB3 1 28 SER H 3.591 . 5.203 3.239 2.515 4.166 . 0 0 "[ . 1 . 2]" 1
1135 1 15 LYS H 1 15 LYS HB3 3.157 . 4.403 3.627 3.482 3.750 . 0 0 "[ . 1 . 2]" 1
1136 1 15 LYS H 1 70 CYS HA 3.592 . 5.205 4.808 4.395 5.216 0.011 14 0 "[ . 1 . 2]" 1
1137 1 24 LYS HG3 1 25 VAL H 3.527 . 5.082 4.239 3.522 4.997 . 0 0 "[ . 1 . 2]" 1
1138 1 24 LYS HG2 1 25 VAL H 3.467 . 4.969 4.626 3.562 5.025 0.056 17 0 "[ . 1 . 2]" 1
1139 1 62 ASP H 1 63 GLU H 2.564 . 3.386 2.084 1.912 2.467 . 0 0 "[ . 1 . 2]" 1
1140 1 35 LEU H 1 36 LEU H 2.617 . 3.473 2.464 2.185 3.090 . 0 0 "[ . 1 . 2]" 1
1141 1 9 GLY H 1 10 SER H 2.877 . 3.912 2.457 2.171 2.696 . 0 0 "[ . 1 . 2]" 1
1142 1 19 CYS H 1 67 THR H 2.820 . 3.814 3.834 3.397 3.903 0.089 18 0 "[ . 1 . 2]" 1
1143 1 21 THR H 1 22 ASN H 2.334 . 3.015 2.537 2.345 2.721 . 0 0 "[ . 1 . 2]" 1
1144 1 39 GLY H 1 40 ASP H 3.192 . 4.466 2.557 2.297 2.811 . 0 0 "[ . 1 . 2]" 1
1145 1 40 ASP H 1 41 VAL H 2.382 . 3.091 2.359 2.012 2.585 . 0 0 "[ . 1 . 2]" 1
1146 1 50 THR H 1 51 GLN H 3.087 . 4.278 4.126 3.898 4.294 0.016 12 0 "[ . 1 . 2]" 1
1147 1 72 GLU H 1 73 ASP H 2.603 . 3.450 2.357 2.133 2.565 . 0 0 "[ . 1 . 2]" 1
1148 1 4 TRP HE1 1 16 LEU MD1 3.846 . 5.695 5.667 5.468 5.768 0.073 12 0 "[ . 1 . 2]" 1
1149 1 4 TRP HE1 1 17 ALA HA 3.842 . 5.688 4.115 3.789 4.285 . 0 0 "[ . 1 . 2]" 1
1150 1 44 GLN HE21 1 82 ILE MD 3.624 . 5.266 5.030 4.157 5.526 0.260 19 0 "[ . 1 . 2]" 1
1151 1 20 ASP H 1 48 GLN H 3.645 . 5.305 4.216 3.833 4.528 . 0 0 "[ . 1 . 2]" 1
1152 1 51 GLN HB2 1 51 GLN HE21 3.713 . 5.437 4.514 4.281 4.603 . 0 0 "[ . 1 . 2]" 1
1153 1 4 TRP HE1 1 18 CYS H 3.865 . 5.732 5.723 5.281 5.857 0.125 19 0 "[ . 1 . 2]" 1
1154 1 4 TRP HE1 1 16 LEU HB2 3.856 . 5.715 4.477 4.024 4.918 . 0 0 "[ . 1 . 2]" 1
1155 1 8 THR MG 1 9 GLY H 3.956 . 5.912 3.719 2.378 4.355 . 0 0 "[ . 1 . 2]" 1
1156 1 8 THR MG 1 10 SER H 3.960 . 5.920 3.317 1.923 4.562 0.077 9 0 "[ . 1 . 2]" 1
1157 1 13 THR MG 1 15 LYS H 3.926 . 5.852 4.245 4.079 4.660 . 0 0 "[ . 1 . 2]" 1
1158 1 14 GLY H 1 15 LYS H 3.985 . 5.970 2.400 2.272 2.590 . 0 0 "[ . 1 . 2]" 1
1159 1 15 LYS HB3 1 71 CYS H 3.787 . 5.580 3.651 3.246 4.002 . 0 0 "[ . 1 . 2]" 1
1160 1 4 TRP H 1 16 LEU MD1 3.140 . 4.373 3.663 2.753 4.341 . 0 0 "[ . 1 . 2]" 1
1161 1 16 LEU HG 1 17 ALA H 3.871 . 5.744 4.207 3.923 4.540 . 0 0 "[ . 1 . 2]" 1
1162 1 16 LEU HG 1 69 THR H 3.708 . 5.427 5.007 4.516 5.432 0.005 5 0 "[ . 1 . 2]" 1
1163 1 19 CYS HA 1 50 THR H 3.047 . 4.208 3.117 2.725 3.533 . 0 0 "[ . 1 . 2]" 1
1164 1 19 CYS HA 1 49 CYS H 3.424 . 4.890 4.646 4.520 4.749 . 0 0 "[ . 1 . 2]" 1
1165 1 19 CYS HB2 1 21 THR H 3.954 . 5.908 5.157 4.605 5.842 . 0 0 "[ . 1 . 2]" 1
1166 1 20 ASP QB 1 48 GLN H 3.703 . 5.417 3.941 3.495 4.566 . 0 0 "[ . 1 . 2]" 1
1167 1 24 LYS H 1 24 LYS QD 2.862 . 3.886 2.718 1.747 3.765 0.091 4 0 "[ . 1 . 2]" 1
1168 1 23 LYS QE 1 24 LYS H 3.697 . 5.406 5.058 4.382 5.351 . 0 0 "[ . 1 . 2]" 1
1169 1 38 THR HB 1 39 GLY H 2.917 . 3.981 3.410 2.650 3.977 . 0 0 "[ . 1 . 2]" 1
1170 1 36 LEU H 1 36 LEU HB3 2.606 . 3.455 3.131 2.511 3.606 0.151 10 0 "[ . 1 . 2]" 1
1171 1 38 THR HA 1 41 VAL H 3.123 . 4.342 4.046 3.357 4.449 0.107 7 0 "[ . 1 . 2]" 1
1172 1 39 GLY H 1 39 GLY HA2 2.630 . 3.495 2.891 2.828 2.935 . 0 0 "[ . 1 . 2]" 1
1173 1 39 GLY HA2 1 41 VAL H 3.389 . 4.824 4.077 3.404 4.958 0.134 10 0 "[ . 1 . 2]" 1
1174 1 40 ASP HB3 1 41 VAL H 2.902 . 3.955 2.876 2.318 3.726 . 0 0 "[ . 1 . 2]" 1
1175 1 42 LEU H 1 42 LEU MD1 3.380 . 4.808 3.881 2.587 4.309 . 0 0 "[ . 1 . 2]" 1
1176 1 41 VAL H 1 44 GLN HE21 3.825 . 5.654 5.097 4.299 5.735 0.081 1 0 "[ . 1 . 2]" 1
1177 1 43 ASP H 1 44 GLN HG2 3.651 . 5.318 4.802 3.843 5.343 0.025 19 0 "[ . 1 . 2]" 1
1178 1 45 VAL HA 1 83 ASN H 3.827 . 5.657 4.355 4.172 4.615 . 0 0 "[ . 1 . 2]" 1
1179 1 46 ALA MB 1 81 GLY H 3.296 . 4.654 4.211 3.706 4.455 . 0 0 "[ . 1 . 2]" 1
1180 1 48 GLN HA 1 48 GLN HE21 3.585 . 5.192 3.346 2.089 3.925 . 0 0 "[ . 1 . 2]" 1
1181 1 55 LEU HB3 1 58 ILE H 3.606 . 5.232 4.676 4.283 5.167 . 0 0 "[ . 1 . 2]" 1
1182 1 56 ILE HA 1 58 ILE H 3.504 . 5.039 3.302 3.130 3.532 . 0 0 "[ . 1 . 2]" 1
1183 1 19 CYS H 1 60 ILE MD 3.864 . 5.730 5.418 4.679 5.745 0.015 19 0 "[ . 1 . 2]" 1
1184 1 73 ASP H 1 82 ILE MD 3.808 . 5.620 4.321 4.148 4.554 . 0 0 "[ . 1 . 2]" 1
1185 1 21 THR H 1 67 THR MG 3.468 . 4.971 4.573 4.221 4.890 . 0 0 "[ . 1 . 2]" 1
1186 1 73 ASP H 1 74 VAL H 3.959 . 5.918 4.328 4.286 4.365 . 0 0 "[ . 1 . 2]" 1
1187 1 73 ASP H 1 82 ILE HG12 3.845 . 5.693 5.090 4.726 5.392 . 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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ALA O 1 69 THR H 2.200 . 2.700 1.929 1.783 2.143 . 0 0 "[ . 1 . 2]" 2
2 1 17 ALA O 1 69 THR N 3.200 2.516 3.927 2.819 2.743 3.026 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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