NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601046 |
2nbh   |
25976 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nbh
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 1410
_Distance_constraint_stats_list.Viol_count 3442
_Distance_constraint_stats_list.Viol_total 6781.601
_Distance_constraint_stats_list.Viol_max 0.947
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.0985
_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 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 3.692 0.495 12 0 "[ . 1 . 2]"
1 20 PRO 2.119 0.495 12 0 "[ . 1 . 2]"
1 21 PRO 8.129 0.947 10 6 "[ * *. * + -* 2]"
1 22 LYS 3.059 0.606 2 3 "[ + . 1 * . - 2]"
1 23 SER 0.052 0.052 2 0 "[ . 1 . 2]"
1 24 CYS 0.052 0.052 2 0 "[ . 1 . 2]"
1 25 SER 3.256 0.365 9 0 "[ . 1 . 2]"
1 26 SER 1.422 0.358 12 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 5.887 0.756 3 4 "[ -+ . 1 *. * 2]"
1 29 VAL 7.559 0.201 2 0 "[ . 1 . 2]"
1 30 TYR 6.038 0.240 11 0 "[ . 1 . 2]"
1 31 CYS 3.241 0.336 12 0 "[ . 1 . 2]"
1 32 CYS 7.587 0.188 8 0 "[ . 1 . 2]"
1 33 ASN 1.060 0.112 3 0 "[ . 1 . 2]"
1 34 LYS 9.549 0.591 16 2 "[ . - .+ 2]"
1 35 THR 10.346 0.241 10 0 "[ . 1 . 2]"
1 36 GLU 9.059 0.214 16 0 "[ . 1 . 2]"
1 37 ASP 0.273 0.071 2 0 "[ . 1 . 2]"
1 38 SER 8.837 0.531 8 1 "[ . + 1 . 2]"
1 39 LYS 21.633 0.688 1 8 "[+* *.- * ** . *]"
1 40 HIS 8.526 0.659 16 1 "[ . 1 .+ 2]"
1 41 LEU 15.881 0.266 16 0 "[ . 1 . 2]"
1 42 ASP 4.460 0.260 16 0 "[ . 1 . 2]"
1 43 LYS 0.007 0.007 15 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 11.622 0.174 18 0 "[ . 1 . 2]"
1 46 THR 4.762 0.260 16 0 "[ . 1 . 2]"
1 47 ALA 8.445 0.147 14 0 "[ . 1 . 2]"
1 48 LEU 12.540 0.174 18 0 "[ . 1 . 2]"
1 49 LEU 12.228 0.149 17 0 "[ . 1 . 2]"
1 50 GLY 5.764 0.153 2 0 "[ . 1 . 2]"
1 51 LEU 7.303 0.199 8 0 "[ . 1 . 2]"
1 52 LEU 4.324 0.199 8 0 "[ . 1 . 2]"
1 53 ASN 5.201 0.510 6 1 "[ .+ 1 . 2]"
1 54 ILE 10.856 0.201 6 0 "[ . 1 . 2]"
1 55 LYS 20.465 0.837 19 8 "[* **-* 1 * . +*]"
1 56 ILE 11.795 0.637 3 5 "[* + -* 1 . *2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.224 0.038 2 0 "[ . 1 . 2]"
1 59 LEU 12.336 0.536 4 2 "[ +. - 1 . 2]"
1 60 LYS 11.195 0.606 20 2 "[ . - 1 . +]"
1 61 ASP 2.921 0.527 19 1 "[ . 1 . +2]"
1 62 LEU 14.799 0.761 1 3 "[+ *. 1 .- 2]"
1 63 VAL 9.356 0.301 9 0 "[ . 1 . 2]"
1 64 GLY 3.960 0.140 4 0 "[ . 1 . 2]"
1 65 LEU 5.412 0.251 1 0 "[ . 1 . 2]"
1 66 ASN 4.447 0.313 20 0 "[ . 1 . 2]"
1 67 CYS 3.414 0.185 5 0 "[ . 1 . 2]"
1 68 SER 5.762 0.336 12 0 "[ . 1 . 2]"
1 69 PRO 3.291 0.172 5 0 "[ . 1 . 2]"
1 70 LEU 3.172 0.243 11 0 "[ . 1 . 2]"
1 71 SER 4.144 0.756 3 4 "[ -+ . 1 *. * 2]"
1 72 VAL 1.243 0.217 11 0 "[ . 1 . 2]"
1 73 ILE 7.947 0.732 12 3 "[ . 1 + . - *]"
1 74 GLY 2.407 0.732 12 1 "[ . 1 + . 2]"
1 75 VAL 1.916 0.724 12 2 "[ - 1 + . 2]"
1 77 GLY 1.504 0.712 20 2 "[ . 1 . - +]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 CYS 4.181 0.273 3 0 "[ . 1 . 2]"
1 81 SER 1.247 0.197 14 0 "[ . 1 . 2]"
1 82 ALA 2.877 0.204 13 0 "[ . 1 . 2]"
1 83 GLN 10.317 0.249 2 0 "[ . 1 . 2]"
1 84 THR 7.281 0.273 3 0 "[ . 1 . 2]"
1 85 VAL 7.553 0.170 1 0 "[ . 1 . 2]"
1 86 CYS 8.261 0.480 9 0 "[ . 1 . 2]"
1 87 CYS 1.825 0.131 3 0 "[ . 1 . 2]"
1 88 THR 7.532 0.241 15 0 "[ . 1 . 2]"
1 89 ASN 5.201 0.543 12 1 "[ . 1 + . 2]"
1 90 THR 4.647 0.543 12 1 "[ . 1 + . 2]"
1 91 TYR 12.790 0.590 10 16 "[**-*. ***+****** **]"
1 92 GLN 13.740 0.696 17 2 "[ - 1 . + 2]"
1 93 HIS 8.206 0.441 15 0 "[ . 1 . 2]"
1 94 GLY 2.493 0.180 1 0 "[ . 1 . 2]"
1 95 LEU 19.022 0.441 15 0 "[ . 1 . 2]"
1 96 VAL 19.800 0.696 17 18 "[**-** **********+ **]"
1 97 ASN 0.228 0.049 17 0 "[ . 1 . 2]"
1 98 VAL 6.335 0.182 2 0 "[ . 1 . 2]"
1 99 GLY 4.232 0.536 4 1 "[ +. 1 . 2]"
1 100 CYS 12.306 0.527 19 1 "[ . 1 . +2]"
1 101 THR 7.319 0.480 9 0 "[ . 1 . 2]"
1 102 PRO 5.752 0.761 1 3 "[+ *. 1 .- 2]"
1 103 ILE 2.993 0.079 16 0 "[ . 1 . 2]"
1 104 ASN 0.325 0.066 20 0 "[ . 1 . 2]"
1 105 ILE 3.830 0.284 4 0 "[ . 1 . 2]"
1 106 GLY 3.225 0.294 5 0 "[ . 1 . 2]"
1 107 LEU 13.576 0.671 8 10 "[* -* + 1 * ** ***]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 98 VAL QG 1 99 GLY H 2.659 . 3.542 3.237 3.164 3.351 . 0 0 "[ . 1 . 2]" 1
2 1 92 GLN H 1 92 GLN HB3 2.932 . 4.006 3.763 3.700 3.804 . 0 0 "[ . 1 . 2]" 1
3 1 33 ASN H 1 65 LEU H 3.108 . 4.315 4.330 4.171 4.427 0.112 3 0 "[ . 1 . 2]" 1
4 1 107 LEU H 1 107 LEU HB2 2.050 . 2.575 2.280 1.843 3.161 0.586 16 1 "[ . 1 .+ 2]" 1
5 1 88 THR HA 1 89 ASN H 2.533 . 3.335 3.271 3.238 3.291 . 0 0 "[ . 1 . 2]" 1
6 1 56 ILE H 1 59 LEU QD 2.994 . 4.114 4.138 4.103 4.170 0.056 5 0 "[ . 1 . 2]" 1
7 1 39 LYS H 1 41 LEU QD 3.103 . 4.307 3.599 3.307 4.230 . 0 0 "[ . 1 . 2]" 1
8 1 37 ASP HA 1 40 HIS H 3.005 . 4.133 3.874 3.749 4.006 . 0 0 "[ . 1 . 2]" 1
9 1 32 CYS HA 1 67 CYS H 3.159 . 4.406 4.237 4.090 4.389 . 0 0 "[ . 1 . 2]" 1
10 1 58 ASP H 1 59 LEU QD 3.013 . 4.147 4.076 3.880 4.178 0.031 15 0 "[ . 1 . 2]" 1
11 1 59 LEU H 1 59 LEU QD 2.270 . 6.000 3.062 2.889 3.155 . 0 0 "[ . 1 . 2]" 1
12 1 36 GLU HB2 1 37 ASP H 2.727 . 3.656 2.819 2.492 3.588 . 0 0 "[ . 1 . 2]" 1
13 1 91 TYR H 1 98 VAL QG 3.313 . 4.685 4.176 3.887 4.399 . 0 0 "[ . 1 . 2]" 1
14 1 36 GLU H 1 41 LEU QD 2.704 . 3.618 3.627 3.588 3.658 0.040 19 0 "[ . 1 . 2]" 1
15 1 51 LEU QD 1 52 LEU H 2.855 . 3.874 3.914 3.847 4.004 0.130 16 0 "[ . 1 . 2]" 1
16 1 102 PRO HB2 1 103 ILE H 2.810 . 6.000 3.978 3.904 4.007 . 0 0 "[ . 1 . 2]" 1
17 1 83 GLN H 1 83 GLN HA 2.032 . 2.548 2.087 2.065 2.100 . 0 0 "[ . 1 . 2]" 1
18 1 47 ALA H 1 48 LEU MD1 3.325 . 4.707 4.024 3.983 4.084 . 0 0 "[ . 1 . 2]" 1
19 1 48 LEU HA 1 52 LEU H 3.330 . 4.716 3.860 3.745 3.951 . 0 0 "[ . 1 . 2]" 1
20 1 47 ALA MB 1 48 LEU MD2 2.323 . 2.997 2.926 2.868 2.971 . 0 0 "[ . 1 . 2]" 1
21 1 51 LEU HB3 1 51 LEU MD2 1.878 . 2.319 2.013 2.004 2.022 . 0 0 "[ . 1 . 2]" 1
22 1 49 LEU MD2 1 50 GLY H 2.681 . 6.000 4.108 4.059 4.169 . 0 0 "[ . 1 . 2]" 1
23 1 51 LEU HB2 1 51 LEU QD 2.167 . 2.754 2.365 2.340 2.391 . 0 0 "[ . 1 . 2]" 1
24 1 51 LEU HB3 1 51 LEU QD 2.187 . 2.785 2.107 2.101 2.114 . 0 0 "[ . 1 . 2]" 1
25 1 72 VAL HB 1 72 VAL QG 1.918 . 2.378 1.899 1.897 1.901 . 0 0 "[ . 1 . 2]" 1
26 1 40 HIS H 1 40 HIS HA 2.314 . 2.983 2.427 2.295 2.626 . 0 0 "[ . 1 . 2]" 1
27 1 102 PRO HB2 1 102 PRO HD2 2.360 . 3.056 2.640 2.544 2.669 . 0 0 "[ . 1 . 2]" 1
28 1 71 SER HA 1 71 SER QB 1.927 . 2.391 2.263 2.177 2.396 0.005 11 0 "[ . 1 . 2]" 1
29 1 73 ILE HA 1 73 ILE MD 2.172 . 2.761 2.075 1.863 2.428 . 0 0 "[ . 1 . 2]" 1
30 1 29 VAL MG1 1 84 THR MG 1.766 . 2.156 1.793 1.705 1.860 . 0 0 "[ . 1 . 2]" 1
31 1 38 SER HA 1 56 ILE MG 2.580 . 6.000 3.906 3.474 4.242 . 0 0 "[ . 1 . 2]" 1
32 1 29 VAL MG1 1 86 CYS HB2 2.705 . 6.000 3.564 3.218 4.319 . 0 0 "[ . 1 . 2]" 1
33 1 49 LEU HA 1 50 GLY H 2.758 . 3.709 3.153 3.101 3.202 . 0 0 "[ . 1 . 2]" 1
34 1 52 LEU HG 1 96 VAL QG 2.245 . 6.000 3.695 3.600 3.929 . 0 0 "[ . 1 . 2]" 1
35 1 98 VAL HB 1 98 VAL QG 2.103 . 2.656 1.896 1.893 1.897 . 0 0 "[ . 1 . 2]" 1
36 1 45 THR MG 1 48 LEU MD2 1.863 . 2.297 2.064 1.951 2.146 . 0 0 "[ . 1 . 2]" 1
37 1 60 LYS HA 1 60 LYS HB3 2.267 . 2.910 2.399 2.288 2.463 . 0 0 "[ . 1 . 2]" 1
38 1 41 LEU HB2 1 41 LEU QD 2.411 . 2.933 2.183 2.114 2.298 . 0 0 "[ . 1 . 2]" 1
39 1 56 ILE MD 1 56 ILE HG12 2.003 . 2.505 1.951 1.943 1.959 . 0 0 "[ . 1 . 2]" 1
40 1 56 ILE HA 1 56 ILE MD 2.127 . 2.692 2.341 2.327 2.349 . 0 0 "[ . 1 . 2]" 1
41 1 56 ILE HB 1 56 ILE MD 1.963 . 2.445 2.000 1.995 2.004 . 0 0 "[ . 1 . 2]" 1
42 1 56 ILE MD 1 56 ILE HG13 2.021 . 2.531 1.981 1.975 1.989 . 0 0 "[ . 1 . 2]" 1
43 1 101 THR HB 1 102 PRO HB2 2.990 . 6.000 4.689 4.593 4.761 . 0 0 "[ . 1 . 2]" 1
44 1 65 LEU QD 1 65 LEU HG 2.063 . 2.595 1.883 1.880 1.888 . 0 0 "[ . 1 . 2]" 1
45 1 65 LEU HA 1 65 LEU QD 2.278 . 6.000 3.150 3.125 3.175 . 0 0 "[ . 1 . 2]" 1
46 1 29 VAL HB 1 70 LEU H 2.899 . 3.950 3.534 3.307 3.677 . 0 0 "[ . 1 . 2]" 1
47 1 35 THR H 1 83 GLN HG2 3.009 . 4.141 3.304 3.043 3.463 . 0 0 "[ . 1 . 2]" 1
48 1 36 GLU HB3 1 64 GLY HA2 3.001 . 4.127 4.052 3.915 4.165 0.038 2 0 "[ . 1 . 2]" 1
49 1 22 LYS HA 1 103 ILE MD 2.975 . 4.082 3.504 2.826 3.981 . 0 0 "[ . 1 . 2]" 1
50 1 48 LEU H 1 48 LEU MD2 2.735 . 3.670 2.221 2.136 2.299 . 0 0 "[ . 1 . 2]" 1
51 1 48 LEU H 1 49 LEU MD2 3.487 . 5.007 4.934 4.843 4.981 . 0 0 "[ . 1 . 2]" 1
52 1 45 THR MG 1 48 LEU H 3.464 . 4.964 4.357 4.315 4.423 . 0 0 "[ . 1 . 2]" 1
53 1 48 LEU H 1 48 LEU HB3 2.635 . 6.000 3.642 3.638 3.645 . 0 0 "[ . 1 . 2]" 1
54 1 48 LEU H 1 48 LEU HB2 2.656 . 3.538 2.602 2.583 2.617 . 0 0 "[ . 1 . 2]" 1
55 1 48 LEU H 1 49 LEU H 2.558 . 3.376 2.671 2.622 2.712 . 0 0 "[ . 1 . 2]" 1
56 1 49 LEU H 1 50 GLY H 2.385 . 3.096 2.724 2.678 2.762 . 0 0 "[ . 1 . 2]" 1
57 1 48 LEU HA 1 49 LEU H 2.924 . 3.992 3.507 3.501 3.512 . 0 0 "[ . 1 . 2]" 1
58 1 49 LEU H 1 49 LEU HA 2.559 . 3.377 2.794 2.785 2.809 . 0 0 "[ . 1 . 2]" 1
59 1 48 LEU HB2 1 49 LEU H 2.704 . 3.618 2.395 2.352 2.430 . 0 0 "[ . 1 . 2]" 1
60 1 49 LEU H 1 49 LEU HG 2.277 . 2.925 1.932 1.861 1.972 . 0 0 "[ . 1 . 2]" 1
61 1 49 LEU H 1 49 LEU HB2 2.409 . 3.134 2.635 2.616 2.679 . 0 0 "[ . 1 . 2]" 1
62 1 48 LEU HB3 1 49 LEU H 2.752 . 3.699 3.507 3.454 3.553 . 0 0 "[ . 1 . 2]" 1
63 1 49 LEU H 1 49 LEU HB3 2.453 . 6.000 3.561 3.548 3.570 . 0 0 "[ . 1 . 2]" 1
64 1 48 LEU MD2 1 49 LEU H 2.668 . 3.558 3.613 3.579 3.638 0.080 2 0 "[ . 1 . 2]" 1
65 1 49 LEU H 1 49 LEU MD1 2.461 . 6.000 3.491 3.459 3.525 . 0 0 "[ . 1 . 2]" 1
66 1 49 LEU H 1 54 ILE MD 3.505 . 5.040 4.324 4.218 4.388 . 0 0 "[ . 1 . 2]" 1
67 1 49 LEU HB3 1 50 GLY H 2.769 . 3.727 3.650 3.612 3.728 0.001 7 0 "[ . 1 . 2]" 1
68 1 49 LEU MD1 1 50 GLY H 3.058 . 4.227 4.264 4.239 4.292 0.065 14 0 "[ . 1 . 2]" 1
69 1 49 LEU MD2 1 50 GLY H 3.034 . 6.000 4.544 4.517 4.567 . 0 0 "[ . 1 . 2]" 1
70 1 49 LEU HB2 1 50 GLY H 2.636 . 3.505 2.412 2.368 2.464 . 0 0 "[ . 1 . 2]" 1
71 1 49 LEU HA 1 50 GLY H 2.789 . 3.761 3.539 3.531 3.552 . 0 0 "[ . 1 . 2]" 1
72 1 50 GLY H 1 52 LEU H 3.376 . 4.801 4.275 4.103 4.385 . 0 0 "[ . 1 . 2]" 1
73 1 51 LEU H 1 51 LEU HB2 2.241 . 2.869 2.646 2.588 2.676 . 0 0 "[ . 1 . 2]" 1
74 1 51 LEU H 1 51 LEU HG 2.088 . 2.633 2.205 2.136 2.273 . 0 0 "[ . 1 . 2]" 1
75 1 47 ALA MB 1 51 LEU H 2.808 . 6.000 4.651 4.559 4.769 . 0 0 "[ . 1 . 2]" 1
76 1 51 LEU H 1 51 LEU MD2 2.417 . 3.147 2.679 2.580 2.803 . 0 0 "[ . 1 . 2]" 1
77 1 48 LEU MD1 1 51 LEU H 3.053 . 6.000 4.643 4.618 4.668 . 0 0 "[ . 1 . 2]" 1
78 1 51 LEU H 1 51 LEU HA 2.305 . 2.969 2.813 2.794 2.835 . 0 0 "[ . 1 . 2]" 1
79 1 48 LEU HA 1 51 LEU H 2.469 . 3.231 3.266 3.247 3.285 0.054 7 0 "[ . 1 . 2]" 1
80 1 50 GLY HA3 1 51 LEU H 2.582 . 3.415 2.882 2.838 2.955 . 0 0 "[ . 1 . 2]" 1
81 1 49 LEU HA 1 51 LEU H 3.074 . 4.255 4.235 4.150 4.280 0.025 11 0 "[ . 1 . 2]" 1
82 1 49 LEU H 1 51 LEU H 3.292 . 4.646 4.005 3.930 4.035 . 0 0 "[ . 1 . 2]" 1
83 1 51 LEU H 1 52 LEU H 2.334 . 3.015 2.626 2.523 2.715 . 0 0 "[ . 1 . 2]" 1
84 1 52 LEU H 1 52 LEU HA 2.573 . 3.400 2.904 2.887 2.936 . 0 0 "[ . 1 . 2]" 1
85 1 49 LEU HA 1 52 LEU H 2.896 . 3.944 3.458 3.362 3.561 . 0 0 "[ . 1 . 2]" 1
86 1 51 LEU HB2 1 52 LEU H 2.766 . 3.722 2.432 2.268 2.786 . 0 0 "[ . 1 . 2]" 1
87 1 52 LEU H 1 52 LEU HG 2.344 . 3.031 2.384 2.198 2.530 . 0 0 "[ . 1 . 2]" 1
88 1 52 LEU H 1 52 LEU HB2 2.291 . 2.947 2.493 2.456 2.542 . 0 0 "[ . 1 . 2]" 1
89 1 52 LEU H 1 52 LEU QD 2.647 . 3.523 2.930 2.837 3.083 . 0 0 "[ . 1 . 2]" 1
90 1 62 LEU H 1 62 LEU HG 2.681 . 6.000 4.503 4.392 4.618 . 0 0 "[ . 1 . 2]" 1
91 1 62 LEU H 1 62 LEU HB3 2.950 . 4.038 3.683 3.654 3.714 . 0 0 "[ . 1 . 2]" 1
92 1 62 LEU H 1 62 LEU HB2 3.126 . 4.347 2.505 2.451 2.557 . 0 0 "[ . 1 . 2]" 1
93 1 62 LEU H 1 62 LEU MD2 2.742 . 3.682 2.658 2.464 2.856 . 0 0 "[ . 1 . 2]" 1
94 1 61 ASP HB2 1 62 LEU H 2.501 . 3.283 2.284 1.779 3.014 . 0 0 "[ . 1 . 2]" 1
95 1 61 ASP HB3 1 62 LEU H 2.446 . 3.194 2.018 1.649 2.328 0.049 19 0 "[ . 1 . 2]" 1
96 1 68 SER H 1 68 SER HA 2.468 . 3.229 2.932 2.901 2.951 . 0 0 "[ . 1 . 2]" 1
97 1 68 SER H 1 68 SER HB3 2.648 . 6.000 3.291 2.498 3.741 . 0 0 "[ . 1 . 2]" 1
98 1 30 TYR HA 1 70 LEU H 2.791 . 3.765 2.679 2.192 2.983 . 0 0 "[ . 1 . 2]" 1
99 1 70 LEU H 1 70 LEU QD 2.553 . 3.368 2.943 1.944 3.132 . 0 0 "[ . 1 . 2]" 1
100 1 70 LEU H 1 70 LEU HB2 2.493 . 3.270 2.630 2.330 2.733 . 0 0 "[ . 1 . 2]" 1
101 1 70 LEU H 1 70 LEU HB3 2.380 . 6.000 3.655 3.581 3.702 . 0 0 "[ . 1 . 2]" 1
102 1 69 PRO HA 1 70 LEU H 2.130 . 2.697 2.120 2.097 2.148 . 0 0 "[ . 1 . 2]" 1
103 1 87 CYS HA 1 101 THR H 2.699 . 3.609 3.546 3.480 3.625 0.016 4 0 "[ . 1 . 2]" 1
104 1 101 THR H 1 101 THR HB 3.235 . 4.543 3.698 3.627 3.751 . 0 0 "[ . 1 . 2]" 1
105 1 103 ILE H 1 103 ILE HA 2.668 . 3.558 2.921 2.882 2.949 . 0 0 "[ . 1 . 2]" 1
106 1 103 ILE H 1 103 ILE HB 2.812 . 3.800 2.972 2.805 3.152 . 0 0 "[ . 1 . 2]" 1
107 1 46 THR HA 1 47 ALA H 2.894 . 3.941 3.500 3.485 3.516 . 0 0 "[ . 1 . 2]" 1
108 1 33 ASN QB 1 33 ASN HD22 3.073 . 4.253 3.285 3.205 3.467 . 0 0 "[ . 1 . 2]" 1
109 1 91 TYR H 1 92 GLN H 3.431 . 4.903 4.427 4.378 4.479 . 0 0 "[ . 1 . 2]" 1
110 1 91 TYR H 1 91 TYR QD 2.742 . 3.682 3.050 2.806 3.450 . 0 0 "[ . 1 . 2]" 1
111 1 30 TYR H 1 86 CYS HA 3.004 . 4.132 3.156 2.920 3.475 . 0 0 "[ . 1 . 2]" 1
112 1 29 VAL HA 1 30 TYR H 2.173 . 2.763 2.472 2.343 2.619 . 0 0 "[ . 1 . 2]" 1
113 1 30 TYR H 1 30 TYR HB2 2.656 . 3.538 2.726 2.644 2.807 . 0 0 "[ . 1 . 2]" 1
114 1 30 TYR H 1 30 TYR HB3 2.801 . 3.782 3.821 3.784 3.847 0.065 16 0 "[ . 1 . 2]" 1
115 1 29 VAL HB 1 30 TYR H 3.090 . 4.284 3.635 3.382 3.791 . 0 0 "[ . 1 . 2]" 1
116 1 29 VAL MG2 1 30 TYR H 2.724 . 3.651 3.794 3.751 3.852 0.201 2 0 "[ . 1 . 2]" 1
117 1 29 VAL MG1 1 30 TYR H 2.222 . 2.839 1.876 1.682 2.036 . 0 0 "[ . 1 . 2]" 1
118 1 24 CYS H 1 24 CYS HB2 2.931 . 4.005 2.566 2.367 3.475 . 0 0 "[ . 1 . 2]" 1
119 1 24 CYS H 1 24 CYS HB3 3.102 . 4.305 3.598 3.005 3.769 . 0 0 "[ . 1 . 2]" 1
120 1 24 CYS H 1 29 VAL MG2 3.274 . 4.614 2.789 2.067 3.949 . 0 0 "[ . 1 . 2]" 1
121 1 24 CYS H 1 103 ILE MD 3.470 . 4.975 3.768 2.650 4.606 . 0 0 "[ . 1 . 2]" 1
122 1 26 SER HA 1 27 GLY H 3.361 . 4.773 3.318 3.020 3.485 . 0 0 "[ . 1 . 2]" 1
123 1 21 PRO HA 1 22 LYS H 2.526 . 3.324 2.477 2.165 3.428 0.104 18 0 "[ . 1 . 2]" 1
124 1 21 PRO HB2 1 22 LYS H 3.336 . 4.727 3.934 2.957 4.346 . 0 0 "[ . 1 . 2]" 1
125 1 22 LYS H 1 22 LYS QB 3.035 . 4.187 2.535 2.209 3.407 . 0 0 "[ . 1 . 2]" 1
126 1 22 LYS H 1 22 LYS HG2 3.335 . 4.725 3.827 2.389 5.030 0.305 18 0 "[ . 1 . 2]" 1
127 1 22 LYS HA 1 23 SER H 2.833 . 3.836 2.668 2.137 3.557 . 0 0 "[ . 1 . 2]" 1
128 1 23 SER H 1 23 SER QB 3.236 . 4.545 2.791 2.219 3.406 . 0 0 "[ . 1 . 2]" 1
129 1 23 SER QB 1 24 CYS H 2.706 . 3.621 2.535 1.739 3.398 0.052 2 0 "[ . 1 . 2]" 1
130 1 23 SER HA 1 24 CYS H 2.643 . 3.516 2.530 2.221 2.782 . 0 0 "[ . 1 . 2]" 1
131 1 29 VAL H 1 29 VAL HA 2.702 . 3.615 2.911 2.881 2.936 . 0 0 "[ . 1 . 2]" 1
132 1 28 PRO HB2 1 29 VAL H 2.574 . 3.402 3.018 1.783 3.503 0.101 16 0 "[ . 1 . 2]" 1
133 1 29 VAL H 1 29 VAL HB 2.288 . 2.943 2.468 2.398 2.619 . 0 0 "[ . 1 . 2]" 1
134 1 28 PRO HB3 1 29 VAL H 2.430 . 3.168 2.997 2.541 3.357 0.189 1 0 "[ . 1 . 2]" 1
135 1 29 VAL H 1 70 LEU HB3 3.108 . 4.316 4.279 3.949 4.409 0.093 3 0 "[ . 1 . 2]" 1
136 1 29 VAL H 1 29 VAL MG2 2.208 . 2.818 2.344 2.069 2.482 . 0 0 "[ . 1 . 2]" 1
137 1 29 VAL H 1 29 VAL MG1 2.496 . 6.000 3.771 3.742 3.810 . 0 0 "[ . 1 . 2]" 1
138 1 92 GLN H 1 92 GLN HA 2.696 . 3.604 2.272 2.262 2.281 . 0 0 "[ . 1 . 2]" 1
139 1 91 TYR QB 1 92 GLN H 3.042 . 4.199 2.687 2.492 3.021 . 0 0 "[ . 1 . 2]" 1
140 1 92 GLN H 1 92 GLN HB2 3.323 . 4.703 3.378 3.330 3.428 . 0 0 "[ . 1 . 2]" 1
141 1 31 CYS H 1 69 PRO HA 2.876 . 3.910 3.747 3.431 3.993 0.083 19 0 "[ . 1 . 2]" 1
142 1 31 CYS H 1 68 SER HB3 3.338 . 4.730 4.344 3.295 5.066 0.336 12 0 "[ . 1 . 2]" 1
143 1 31 CYS H 1 31 CYS QB 2.665 . 3.534 2.439 2.288 2.831 . 0 0 "[ . 1 . 2]" 1
144 1 30 TYR HB2 1 31 CYS H 2.906 . 3.962 4.038 3.967 4.202 0.240 11 0 "[ . 1 . 2]" 1
145 1 30 TYR HB3 1 31 CYS H 2.794 . 3.770 3.066 2.932 3.396 . 0 0 "[ . 1 . 2]" 1
146 1 31 CYS H 1 70 LEU HG 3.110 . 4.319 3.039 2.617 4.562 0.243 11 0 "[ . 1 . 2]" 1
147 1 31 CYS H 1 70 LEU QD 2.673 . 3.566 2.916 1.768 3.156 0.012 19 0 "[ . 1 . 2]" 1
148 1 31 CYS H 1 70 LEU H 3.059 . 4.229 3.990 3.743 4.241 0.012 8 0 "[ . 1 . 2]" 1
149 1 30 TYR QD 1 31 CYS H 3.197 . 4.474 4.074 3.846 4.332 . 0 0 "[ . 1 . 2]" 1
150 1 31 CYS H 1 67 CYS HA 3.382 . 4.812 4.597 4.175 4.894 0.082 19 0 "[ . 1 . 2]" 1
151 1 31 CYS H 1 31 CYS HA 2.859 . 3.881 2.936 2.904 2.946 . 0 0 "[ . 1 . 2]" 1
152 1 31 CYS H 1 68 SER HA 3.320 . 4.698 4.565 4.462 4.669 . 0 0 "[ . 1 . 2]" 1
153 1 30 TYR HA 1 31 CYS H 2.329 . 3.007 2.135 2.041 2.208 . 0 0 "[ . 1 . 2]" 1
154 1 32 CYS H 1 85 VAL MG2 2.923 . 3.991 3.008 2.853 3.169 . 0 0 "[ . 1 . 2]" 1
155 1 31 CYS QB 1 32 CYS H 3.216 . 4.509 3.882 3.497 3.974 . 0 0 "[ . 1 . 2]" 1
156 1 32 CYS H 1 32 CYS HB3 2.810 . 3.797 3.700 3.638 3.746 . 0 0 "[ . 1 . 2]" 1
157 1 32 CYS H 1 32 CYS HB2 2.671 . 3.563 2.571 2.464 2.666 . 0 0 "[ . 1 . 2]" 1
158 1 32 CYS H 1 83 GLN HB3 3.003 . 6.000 4.336 4.138 4.574 . 0 0 "[ . 1 . 2]" 1
159 1 32 CYS H 1 84 THR MG 3.189 . 4.460 4.522 4.466 4.571 0.111 15 0 "[ . 1 . 2]" 1
160 1 31 CYS H 1 32 CYS H 3.237 . 4.546 4.192 4.072 4.314 . 0 0 "[ . 1 . 2]" 1
161 1 32 CYS H 1 85 VAL H 3.298 . 4.658 3.626 3.505 3.792 . 0 0 "[ . 1 . 2]" 1
162 1 32 CYS H 1 33 ASN H 3.114 . 6.000 4.409 4.288 4.482 . 0 0 "[ . 1 . 2]" 1
163 1 32 CYS H 1 67 CYS HA 3.248 . 4.567 4.575 4.346 4.653 0.086 3 0 "[ . 1 . 2]" 1
164 1 31 CYS HA 1 32 CYS H 2.233 . 2.856 2.163 2.105 2.223 . 0 0 "[ . 1 . 2]" 1
165 1 32 CYS H 1 32 CYS HA 2.832 . 3.835 2.945 2.931 2.953 . 0 0 "[ . 1 . 2]" 1
166 1 33 ASN H 1 33 ASN HA 2.605 . 3.453 2.786 2.755 2.815 . 0 0 "[ . 1 . 2]" 1
167 1 33 ASN H 1 33 ASN QB 2.274 . 2.920 2.342 2.192 2.445 . 0 0 "[ . 1 . 2]" 1
168 1 32 CYS HB2 1 33 ASN H 3.011 . 4.144 4.088 3.901 4.164 0.020 4 0 "[ . 1 . 2]" 1
169 1 33 ASN H 1 34 LYS QB 3.395 . 6.000 4.834 4.718 5.076 . 0 0 "[ . 1 . 2]" 1
170 1 33 ASN H 1 82 ALA MB 3.001 . 4.127 3.537 3.044 3.884 . 0 0 "[ . 1 . 2]" 1
171 1 33 ASN H 1 67 CYS HA 2.704 . 3.618 3.289 2.989 3.648 0.030 3 0 "[ . 1 . 2]" 1
172 1 32 CYS HA 1 33 ASN H 2.331 . 3.010 2.125 2.094 2.179 . 0 0 "[ . 1 . 2]" 1
173 1 33 ASN HA 1 83 GLN H 2.563 . 3.384 3.147 2.833 3.394 0.010 13 0 "[ . 1 . 2]" 1
174 1 83 GLN H 1 83 GLN HG2 2.628 . 3.492 3.651 3.523 3.741 0.249 2 0 "[ . 1 . 2]" 1
175 1 83 GLN H 1 83 GLN HB3 2.326 . 3.002 2.087 2.038 2.156 . 0 0 "[ . 1 . 2]" 1
176 1 82 ALA MB 1 83 GLN H 1.942 . 2.414 1.807 1.712 2.148 . 0 0 "[ . 1 . 2]" 1
177 1 32 CYS H 1 83 GLN H 2.862 . 3.886 3.927 3.708 3.993 0.107 4 0 "[ . 1 . 2]" 1
178 1 83 GLN H 1 84 THR H 2.876 . 6.000 4.472 4.356 4.571 . 0 0 "[ . 1 . 2]" 1
179 1 63 VAL HA 1 64 GLY H 2.203 . 2.809 2.541 2.490 2.596 . 0 0 "[ . 1 . 2]" 1
180 1 64 GLY H 1 64 GLY HA2 2.558 . 3.376 2.929 2.914 2.942 . 0 0 "[ . 1 . 2]" 1
181 1 64 GLY H 1 97 ASN QB 2.986 . 4.101 2.402 2.142 2.674 . 0 0 "[ . 1 . 2]" 1
182 1 63 VAL HB 1 64 GLY H 3.338 . 4.730 2.813 2.584 3.053 . 0 0 "[ . 1 . 2]" 1
183 1 63 VAL MG1 1 64 GLY H 2.703 . 6.000 4.074 3.999 4.152 . 0 0 "[ . 1 . 2]" 1
184 1 63 VAL MG2 1 64 GLY H 2.259 . 2.897 2.255 1.949 2.422 . 0 0 "[ . 1 . 2]" 1
185 1 64 GLY H 1 96 VAL QG 2.992 . 6.000 4.422 4.064 4.648 . 0 0 "[ . 1 . 2]" 1
186 1 64 GLY H 1 65 LEU H 3.101 . 4.303 4.313 4.155 4.396 0.093 3 0 "[ . 1 . 2]" 1
187 1 64 GLY H 1 98 VAL HA 2.844 . 6.000 4.206 3.833 4.459 . 0 0 "[ . 1 . 2]" 1
188 1 64 GLY H 1 64 GLY HA3 2.669 . 3.560 2.586 2.557 2.613 . 0 0 "[ . 1 . 2]" 1
189 1 63 VAL H 1 64 GLY H 3.051 . 6.000 4.427 4.410 4.468 . 0 0 "[ . 1 . 2]" 1
190 1 105 ILE HA 1 107 LEU H 3.227 . 4.529 4.443 4.012 4.601 0.072 18 0 "[ . 1 . 2]" 1
191 1 107 LEU H 1 107 LEU HA 2.436 . 3.178 2.902 2.816 2.937 . 0 0 "[ . 1 . 2]" 1
192 1 106 GLY HA2 1 107 LEU H 2.433 . 3.173 3.282 2.965 3.467 0.294 5 0 "[ . 1 . 2]" 1
193 1 105 ILE QG 1 107 LEU H 2.960 . 4.055 3.550 2.449 3.803 . 0 0 "[ . 1 . 2]" 1
194 1 107 LEU H 1 107 LEU QD 3.282 2.315 4.249 2.687 1.709 3.820 0.606 19 3 "[* . - 1 . +2]" 1
195 1 106 GLY H 1 107 LEU H 2.915 . 3.977 2.580 2.054 3.045 . 0 0 "[ . 1 . 2]" 1
196 1 66 ASN HA 1 66 ASN HD22 3.310 . 4.680 3.648 3.545 3.827 . 0 0 "[ . 1 . 2]" 1
197 1 65 LEU MD2 1 66 ASN HD22 3.319 . 4.696 4.405 3.677 4.947 0.251 1 0 "[ . 1 . 2]" 1
198 1 66 ASN HD22 1 95 LEU MD2 3.257 . 4.583 2.418 1.950 3.099 . 0 0 "[ . 1 . 2]" 1
199 1 87 CYS HB3 1 89 ASN H 2.668 . 3.557 2.972 2.182 3.145 . 0 0 "[ . 1 . 2]" 1
200 1 87 CYS HB2 1 89 ASN H 2.816 . 3.807 3.654 3.361 3.862 0.055 16 0 "[ . 1 . 2]" 1
201 1 89 ASN H 1 89 ASN HB2 2.507 . 3.293 2.900 2.837 3.000 . 0 0 "[ . 1 . 2]" 1
202 1 89 ASN H 1 89 ASN HB3 2.734 . 6.000 3.888 3.837 3.939 . 0 0 "[ . 1 . 2]" 1
203 1 88 THR MG 1 89 ASN H 2.787 . 3.758 2.384 2.296 2.604 . 0 0 "[ . 1 . 2]" 1
204 1 89 ASN H 1 98 VAL MG2 2.431 . 3.170 2.362 2.273 2.472 . 0 0 "[ . 1 . 2]" 1
205 1 30 TYR QE 1 89 ASN H 3.242 . 6.000 4.848 4.150 5.287 . 0 0 "[ . 1 . 2]" 1
206 1 87 CYS HA 1 89 ASN H 2.943 . 4.026 4.093 4.010 4.157 0.131 3 0 "[ . 1 . 2]" 1
207 1 89 ASN H 1 89 ASN HA 2.595 . 3.437 2.890 2.852 2.904 . 0 0 "[ . 1 . 2]" 1
208 1 88 THR H 1 89 ASN H 2.185 . 2.782 2.334 2.142 2.399 . 0 0 "[ . 1 . 2]" 1
209 1 89 ASN H 1 98 VAL H 2.553 . 3.367 3.245 3.078 3.401 0.034 15 0 "[ . 1 . 2]" 1
210 1 89 ASN H 1 90 THR H 2.939 . 6.000 4.350 4.329 4.380 . 0 0 "[ . 1 . 2]" 1
211 1 55 LYS HA 1 56 ILE H 2.088 . 2.633 2.099 2.071 2.136 . 0 0 "[ . 1 . 2]" 1
212 1 56 ILE H 1 56 ILE HA 2.552 . 3.366 2.842 2.824 2.863 . 0 0 "[ . 1 . 2]" 1
213 1 56 ILE H 1 56 ILE HB 2.253 . 2.888 2.350 2.318 2.393 . 0 0 "[ . 1 . 2]" 1
214 1 56 ILE H 1 56 ILE HG12 2.514 . 6.000 3.929 3.872 4.002 . 0 0 "[ . 1 . 2]" 1
215 1 56 ILE H 1 56 ILE HG13 2.564 . 6.000 3.725 3.657 3.818 . 0 0 "[ . 1 . 2]" 1
216 1 56 ILE H 1 56 ILE MD 2.392 . 3.107 2.069 1.976 2.207 . 0 0 "[ . 1 . 2]" 1
217 1 56 ILE H 1 57 GLY H 3.337 . 4.729 2.521 2.453 2.594 . 0 0 "[ . 1 . 2]" 1
218 1 55 LYS H 1 56 ILE H 3.164 . 4.416 4.358 4.323 4.399 . 0 0 "[ . 1 . 2]" 1
219 1 84 THR H 1 84 THR HB 2.896 . 3.945 3.022 2.812 3.284 . 0 0 "[ . 1 . 2]" 1
220 1 83 GLN HG3 1 84 THR H 3.133 . 4.360 3.096 2.714 3.341 . 0 0 "[ . 1 . 2]" 1
221 1 83 GLN HG2 1 84 THR H 3.150 . 4.390 4.209 3.089 4.401 0.011 17 0 "[ . 1 . 2]" 1
222 1 83 GLN HB3 1 84 THR H 2.576 . 6.000 4.479 4.372 4.551 . 0 0 "[ . 1 . 2]" 1
223 1 84 THR H 1 84 THR MG 2.468 . 6.000 3.700 3.484 3.846 . 0 0 "[ . 1 . 2]" 1
224 1 84 THR H 1 85 VAL MG2 2.989 . 6.000 4.922 4.686 5.054 . 0 0 "[ . 1 . 2]" 1
225 1 84 THR H 1 85 VAL MG1 3.206 . 4.491 4.083 3.870 4.302 . 0 0 "[ . 1 . 2]" 1
226 1 84 THR H 1 84 THR HA 2.739 . 3.677 2.917 2.895 2.939 . 0 0 "[ . 1 . 2]" 1
227 1 84 THR H 1 85 VAL HA 2.877 . 6.000 5.172 5.047 5.311 . 0 0 "[ . 1 . 2]" 1
228 1 47 ALA H 1 47 ALA HA 2.302 . 2.964 2.773 2.765 2.782 . 0 0 "[ . 1 . 2]" 1
229 1 45 THR HA 1 47 ALA H 2.845 . 3.857 3.973 3.950 3.997 0.140 14 0 "[ . 1 . 2]" 1
230 1 47 ALA H 1 48 LEU MD2 3.028 . 4.174 3.969 3.895 4.042 . 0 0 "[ . 1 . 2]" 1
231 1 43 LYS QB 1 47 ALA H 3.270 . 4.606 4.500 4.431 4.581 . 0 0 "[ . 1 . 2]" 1
232 1 47 ALA H 1 49 LEU H 3.142 . 4.376 4.256 4.190 4.293 . 0 0 "[ . 1 . 2]" 1
233 1 47 ALA H 1 48 LEU H 2.456 . 3.210 2.922 2.889 2.958 . 0 0 "[ . 1 . 2]" 1
234 1 63 VAL HA 1 100 CYS H 3.083 . 4.271 3.732 3.466 3.983 . 0 0 "[ . 1 . 2]" 1
235 1 99 GLY HA3 1 100 CYS H 2.895 . 3.943 3.553 3.545 3.562 . 0 0 "[ . 1 . 2]" 1
236 1 99 GLY HA2 1 100 CYS H 2.725 . 3.653 2.641 2.589 2.665 . 0 0 "[ . 1 . 2]" 1
237 1 84 THR HB 1 85 VAL H 2.701 . 6.000 3.872 3.632 4.033 . 0 0 "[ . 1 . 2]" 1
238 1 100 CYS H 1 100 CYS HB2 2.515 . 3.306 2.432 2.283 2.510 . 0 0 "[ . 1 . 2]" 1
239 1 100 CYS H 1 100 CYS HB3 2.630 . 6.000 3.626 3.493 3.661 . 0 0 "[ . 1 . 2]" 1
240 1 85 VAL H 1 85 VAL HB 3.066 . 4.241 3.787 3.739 3.821 . 0 0 "[ . 1 . 2]" 1
241 1 62 LEU HB3 1 100 CYS H 3.083 . 4.271 4.292 4.257 4.381 0.110 19 0 "[ . 1 . 2]" 1
242 1 85 VAL H 1 85 VAL MG2 2.161 . 2.745 2.157 2.087 2.218 . 0 0 "[ . 1 . 2]" 1
243 1 85 VAL H 1 85 VAL MG1 2.696 . 3.605 3.186 3.092 3.361 . 0 0 "[ . 1 . 2]" 1
244 1 61 ASP HB3 1 100 CYS H 2.948 . 4.034 3.991 3.374 4.144 0.110 2 0 "[ . 1 . 2]" 1
245 1 61 ASP HB2 1 100 CYS H 2.762 . 3.716 3.438 2.733 4.243 0.527 19 1 "[ . 1 . +2]" 1
246 1 84 THR H 1 85 VAL H 3.072 . 4.252 4.360 4.291 4.404 0.152 17 0 "[ . 1 . 2]" 1
247 1 84 THR HA 1 85 VAL H 2.175 . 2.767 2.110 2.084 2.141 . 0 0 "[ . 1 . 2]" 1
248 1 85 VAL H 1 85 VAL HA 2.761 . 3.714 2.939 2.932 2.947 . 0 0 "[ . 1 . 2]" 1
249 1 98 VAL HA 1 100 CYS H 2.856 . 3.876 3.945 3.879 4.008 0.132 16 0 "[ . 1 . 2]" 1
250 1 100 CYS H 1 100 CYS HA 2.829 . 3.829 2.922 2.918 2.926 . 0 0 "[ . 1 . 2]" 1
251 1 100 CYS H 1 101 THR H 2.961 . 6.000 4.431 4.393 4.473 . 0 0 "[ . 1 . 2]" 1
252 1 99 GLY H 1 100 CYS H 2.553 . 3.367 2.780 2.663 2.859 . 0 0 "[ . 1 . 2]" 1
253 1 92 GLN HE21 1 92 GLN HG3 2.561 . 3.381 2.559 2.189 3.430 0.049 13 0 "[ . 1 . 2]" 1
254 1 52 LEU QD 1 92 GLN HE21 3.287 . 4.638 3.962 3.662 4.294 . 0 0 "[ . 1 . 2]" 1
255 1 60 LYS H 1 60 LYS HA 2.697 . 3.606 2.908 2.853 2.938 . 0 0 "[ . 1 . 2]" 1
256 1 59 LEU HA 1 60 LYS H 2.098 . 2.648 2.228 2.102 2.448 . 0 0 "[ . 1 . 2]" 1
257 1 59 LEU HG 1 60 LYS H 3.134 . 6.000 4.919 4.784 5.024 . 0 0 "[ . 1 . 2]" 1
258 1 60 LYS H 1 60 LYS HB2 2.687 . 3.590 2.422 2.313 2.518 . 0 0 "[ . 1 . 2]" 1
259 1 60 LYS H 1 60 LYS HB3 2.555 . 3.371 3.619 3.580 3.672 0.301 1 0 "[ . 1 . 2]" 1
260 1 59 LEU HB3 1 60 LYS H 2.717 . 3.640 2.794 2.324 3.221 . 0 0 "[ . 1 . 2]" 1
261 1 60 LYS H 1 60 LYS QG 2.576 . 6.000 3.112 2.180 3.858 . 0 0 "[ . 1 . 2]" 1
262 1 60 LYS H 1 98 VAL MG1 3.060 . 6.000 5.111 4.722 5.469 . 0 0 "[ . 1 . 2]" 1
263 1 59 LEU MD2 1 60 LYS H 2.421 . 3.154 3.295 3.224 3.373 0.219 20 0 "[ . 1 . 2]" 1
264 1 105 ILE H 1 105 ILE HA 2.813 . 3.802 2.869 2.809 2.923 . 0 0 "[ . 1 . 2]" 1
265 1 104 ASN HB2 1 105 ILE H 3.179 . 4.442 4.241 3.552 4.463 0.021 12 0 "[ . 1 . 2]" 1
266 1 104 ASN HB3 1 105 ILE H 3.152 . 4.394 4.037 3.577 4.447 0.053 2 0 "[ . 1 . 2]" 1
267 1 105 ILE H 1 105 ILE HB 2.934 . 4.010 3.563 3.496 3.687 . 0 0 "[ . 1 . 2]" 1
268 1 105 ILE H 1 105 ILE QG 2.846 . 3.515 1.823 1.752 1.982 0.082 20 0 "[ . 1 . 2]" 1
269 1 105 ILE H 1 105 ILE MG 2.695 . 3.603 2.929 2.234 3.219 . 0 0 "[ . 1 . 2]" 1
270 1 104 ASN HA 1 105 ILE H 2.246 . 2.877 2.155 2.119 2.208 . 0 0 "[ . 1 . 2]" 1
271 1 94 GLY H 1 95 LEU HA 2.549 . 6.000 4.671 4.563 4.778 . 0 0 "[ . 1 . 2]" 1
272 1 94 GLY H 1 94 GLY HA2 2.376 . 3.081 2.601 2.541 2.642 . 0 0 "[ . 1 . 2]" 1
273 1 94 GLY H 1 95 LEU HB3 3.175 . 6.000 5.473 5.324 5.616 . 0 0 "[ . 1 . 2]" 1
274 1 94 GLY H 1 95 LEU HB2 3.192 . 4.465 4.179 4.032 4.335 . 0 0 "[ . 1 . 2]" 1
275 1 94 GLY H 1 95 LEU MD2 3.028 . 4.174 4.282 4.247 4.354 0.180 1 0 "[ . 1 . 2]" 1
276 1 91 TYR H 1 94 GLY H 3.417 . 4.877 4.001 3.759 4.164 . 0 0 "[ . 1 . 2]" 1
277 1 93 HIS H 1 94 GLY H 2.934 . 4.010 2.783 2.695 2.894 . 0 0 "[ . 1 . 2]" 1
278 1 87 CYS H 1 87 CYS HB3 3.062 . 4.234 3.717 3.462 3.799 . 0 0 "[ . 1 . 2]" 1
279 1 87 CYS H 1 87 CYS HB2 2.742 . 3.682 2.630 2.238 2.754 . 0 0 "[ . 1 . 2]" 1
280 1 86 CYS HB3 1 87 CYS H 2.834 . 6.000 4.205 3.296 4.413 . 0 0 "[ . 1 . 2]" 1
281 1 85 VAL MG2 1 87 CYS H 3.349 . 4.751 4.241 3.890 4.492 . 0 0 "[ . 1 . 2]" 1
282 1 30 TYR QD 1 87 CYS H 3.133 . 4.360 1.939 1.844 2.074 0.062 16 0 "[ . 1 . 2]" 1
283 1 86 CYS HA 1 87 CYS H 2.345 . 3.032 2.160 2.132 2.196 . 0 0 "[ . 1 . 2]" 1
284 1 30 TYR QE 1 87 CYS H 2.939 . 4.019 2.852 2.294 3.411 . 0 0 "[ . 1 . 2]" 1
285 1 37 ASP HA 1 39 LYS H 3.027 . 4.172 3.536 3.422 3.689 . 0 0 "[ . 1 . 2]" 1
286 1 39 LYS H 1 39 LYS HA 2.402 . 3.123 2.867 2.800 2.905 . 0 0 "[ . 1 . 2]" 1
287 1 38 SER HA 1 39 LYS H 2.816 . 3.808 3.384 3.266 3.485 . 0 0 "[ . 1 . 2]" 1
288 1 37 ASP QB 1 39 LYS H 2.972 . 4.076 2.934 2.521 3.807 . 0 0 "[ . 1 . 2]" 1
289 1 39 LYS H 1 39 LYS HB2 2.160 . 2.743 2.491 2.355 2.630 . 0 0 "[ . 1 . 2]" 1
290 1 39 LYS H 1 39 LYS HG2 2.454 . 3.207 2.919 2.010 3.895 0.688 1 8 "[+* *.* * ** . -]" 1
291 1 39 LYS H 1 39 LYS HG3 3.023 2.227 3.819 3.578 3.327 3.803 . 0 0 "[ . 1 . 2]" 1
292 1 81 SER HA 1 82 ALA H 2.635 . 3.503 3.149 2.892 3.533 0.030 5 0 "[ . 1 . 2]" 1
293 1 81 SER HB3 1 82 ALA H 3.124 . 4.344 4.139 3.326 4.541 0.197 14 0 "[ . 1 . 2]" 1
294 1 81 SER HB2 1 82 ALA H 3.217 . 4.510 3.926 2.606 4.516 0.006 4 0 "[ . 1 . 2]" 1
295 1 80 CYS HB3 1 82 ALA H 3.332 . 4.720 4.163 2.822 4.737 0.017 11 0 "[ . 1 . 2]" 1
296 1 82 ALA H 1 82 ALA MB 2.078 . 2.618 2.550 2.299 2.692 0.074 3 0 "[ . 1 . 2]" 1
297 1 80 CYS HA 1 82 ALA H 2.903 . 3.956 3.772 3.144 4.160 0.204 13 0 "[ . 1 . 2]" 1
298 1 82 ALA H 1 83 GLN H 2.845 . 6.000 4.243 4.187 4.396 . 0 0 "[ . 1 . 2]" 1
299 1 90 THR H 1 90 THR HB 2.922 . 3.990 3.286 3.103 3.435 . 0 0 "[ . 1 . 2]" 1
300 1 89 ASN HB2 1 90 THR H 2.831 . 3.833 3.741 3.514 3.855 0.022 19 0 "[ . 1 . 2]" 1
301 1 89 ASN HB3 1 90 THR H 2.529 . 3.328 2.443 2.285 2.614 . 0 0 "[ . 1 . 2]" 1
302 1 90 THR H 1 90 THR MG 2.234 . 2.858 2.280 2.173 2.422 . 0 0 "[ . 1 . 2]" 1
303 1 90 THR H 1 98 VAL MG2 2.998 . 4.121 4.022 3.800 4.200 0.079 17 0 "[ . 1 . 2]" 1
304 1 89 ASN HD22 1 90 THR H 3.389 . 4.825 4.959 4.614 5.368 0.543 12 1 "[ . 1 + . 2]" 1
305 1 89 ASN HA 1 90 THR H 2.136 . 2.706 2.394 2.319 2.469 . 0 0 "[ . 1 . 2]" 1
306 1 90 THR H 1 91 TYR H 3.235 . 4.543 4.338 4.237 4.422 . 0 0 "[ . 1 . 2]" 1
307 1 100 CYS HB2 1 101 THR H 3.080 . 4.266 4.250 4.186 4.350 0.084 18 0 "[ . 1 . 2]" 1
308 1 100 CYS HB3 1 101 THR H 2.809 . 3.795 3.336 3.235 3.409 . 0 0 "[ . 1 . 2]" 1
309 1 85 VAL HB 1 101 THR H 2.913 . 3.974 2.884 2.735 3.149 . 0 0 "[ . 1 . 2]" 1
310 1 85 VAL MG2 1 101 THR H 3.218 . 4.512 4.197 4.026 4.532 0.020 16 0 "[ . 1 . 2]" 1
311 1 101 THR H 1 102 PRO HD2 3.339 . 6.000 5.108 4.993 5.406 . 0 0 "[ . 1 . 2]" 1
312 1 86 CYS HB2 1 101 THR H 3.049 . 4.211 4.477 3.562 4.691 0.480 9 0 "[ . 1 . 2]" 1
313 1 100 CYS HA 1 101 THR H 2.342 . 3.028 2.121 2.075 2.158 . 0 0 "[ . 1 . 2]" 1
314 1 86 CYS H 1 101 THR H 2.718 . 3.641 2.412 2.323 2.534 . 0 0 "[ . 1 . 2]" 1
315 1 89 ASN HB3 1 89 ASN HD21 3.379 . 4.806 2.357 2.228 2.887 . 0 0 "[ . 1 . 2]" 1
316 1 71 SER HA 1 73 ILE H 3.215 . 6.000 5.312 3.242 5.975 . 0 0 "[ . 1 . 2]" 1
317 1 73 ILE H 1 73 ILE HA 2.537 . 3.341 2.898 2.826 2.943 . 0 0 "[ . 1 . 2]" 1
318 1 72 VAL HA 1 73 ILE H 2.177 . 2.770 2.169 2.101 2.987 0.217 11 0 "[ . 1 . 2]" 1
319 1 72 VAL HB 1 73 ILE H 2.739 . 3.677 3.642 3.313 3.837 0.160 11 0 "[ . 1 . 2]" 1
320 1 73 ILE H 1 73 ILE HB 2.401 . 3.122 2.537 2.361 2.745 . 0 0 "[ . 1 . 2]" 1
321 1 73 ILE H 1 73 ILE QG 2.703 . 3.463 2.466 2.172 2.965 . 0 0 "[ . 1 . 2]" 1
322 1 72 VAL QG 1 73 ILE H 2.406 . 6.000 3.627 3.505 3.674 . 0 0 "[ . 1 . 2]" 1
323 1 41 LEU H 1 41 LEU HA 2.615 . 3.470 2.778 2.736 2.812 . 0 0 "[ . 1 . 2]" 1
324 1 40 HIS HB2 1 41 LEU H 3.141 . 4.374 4.390 3.987 4.470 0.096 2 0 "[ . 1 . 2]" 1
325 1 39 LYS HA 1 41 LEU H 3.100 . 6.000 4.747 3.954 5.053 . 0 0 "[ . 1 . 2]" 1
326 1 40 HIS HB3 1 41 LEU H 3.091 . 4.285 4.327 4.243 4.551 0.266 16 0 "[ . 1 . 2]" 1
327 1 41 LEU H 1 41 LEU HG 3.015 2.345 3.685 3.466 2.261 3.902 0.217 6 0 "[ . 1 . 2]" 1
328 1 41 LEU H 1 41 LEU HB2 2.344 . 6.000 2.441 2.390 2.497 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU H 1 41 LEU HB3 2.557 . 3.374 3.560 3.539 3.592 0.218 6 0 "[ . 1 . 2]" 1
330 1 41 LEU H 1 56 ILE MG 3.155 . 4.399 3.611 2.862 4.432 0.033 19 0 "[ . 1 . 2]" 1
331 1 41 LEU H 1 41 LEU QD 2.368 . 3.069 2.109 1.748 3.019 0.035 8 0 "[ . 1 . 2]" 1
332 1 40 HIS HA 1 41 LEU H 2.271 . 2.916 2.601 2.404 2.953 0.037 7 0 "[ . 1 . 2]" 1
333 1 39 LYS H 1 41 LEU H 3.245 . 4.561 4.587 4.139 4.677 0.116 13 0 "[ . 1 . 2]" 1
334 1 94 GLY HA2 1 96 VAL H 3.136 . 4.365 4.030 3.802 4.226 . 0 0 "[ . 1 . 2]" 1
335 1 91 TYR QB 1 96 VAL H 2.918 . 6.000 3.783 3.487 4.008 . 0 0 "[ . 1 . 2]" 1
336 1 92 GLN HB3 1 96 VAL H 3.013 . 4.148 3.700 3.496 3.966 . 0 0 "[ . 1 . 2]" 1
337 1 95 LEU HB3 1 96 VAL H 2.585 . 6.000 3.755 3.639 3.840 . 0 0 "[ . 1 . 2]" 1
338 1 96 VAL H 1 96 VAL HB 2.312 . 6.000 3.616 2.427 3.781 . 0 0 "[ . 1 . 2]" 1
339 1 95 LEU MD1 1 96 VAL H 2.864 . 6.000 4.567 4.320 4.661 . 0 0 "[ . 1 . 2]" 1
340 1 96 VAL H 1 96 VAL HA 2.686 . 3.587 2.949 2.930 2.958 . 0 0 "[ . 1 . 2]" 1
341 1 96 VAL H 1 97 ASN H 3.057 . 6.000 4.255 4.057 4.411 . 0 0 "[ . 1 . 2]" 1
342 1 91 TYR H 1 96 VAL H 2.905 . 3.960 3.802 3.674 3.970 0.010 11 0 "[ . 1 . 2]" 1
343 1 95 LEU H 1 96 VAL H 2.370 . 3.072 2.840 2.728 2.940 . 0 0 "[ . 1 . 2]" 1
344 1 94 GLY H 1 96 VAL H 2.925 . 3.994 3.250 3.058 3.408 . 0 0 "[ . 1 . 2]" 1
345 1 53 ASN HB3 1 53 ASN HD21 3.176 . 4.437 2.867 2.207 3.517 . 0 0 "[ . 1 . 2]" 1
346 1 53 ASN HB2 1 53 ASN HD21 2.927 . 3.998 2.724 2.216 3.477 . 0 0 "[ . 1 . 2]" 1
347 1 46 THR H 1 46 THR HB 2.204 . 2.811 2.548 2.510 2.582 . 0 0 "[ . 1 . 2]" 1
348 1 43 LYS HA 1 46 THR H 2.733 . 3.667 3.330 3.037 3.563 . 0 0 "[ . 1 . 2]" 1
349 1 45 THR HA 1 46 THR H 2.882 . 3.920 3.536 3.523 3.549 . 0 0 "[ . 1 . 2]" 1
350 1 46 THR H 1 46 THR HA 2.607 . 3.457 2.770 2.762 2.783 . 0 0 "[ . 1 . 2]" 1
351 1 43 LYS QB 1 46 THR H 3.369 . 6.000 4.897 4.713 5.029 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU HB2 1 46 THR H 3.235 . 4.544 3.962 3.400 4.468 . 0 0 "[ . 1 . 2]" 1
353 1 46 THR H 1 47 ALA MB 2.870 . 6.000 4.316 4.278 4.374 . 0 0 "[ . 1 . 2]" 1
354 1 46 THR H 1 46 THR MG 2.481 . 6.000 3.752 3.738 3.760 . 0 0 "[ . 1 . 2]" 1
355 1 46 THR H 1 48 LEU MD2 3.056 . 6.000 4.441 4.391 4.490 . 0 0 "[ . 1 . 2]" 1
356 1 46 THR H 1 49 LEU MD1 2.903 . 3.956 3.928 3.786 4.012 0.056 19 0 "[ . 1 . 2]" 1
357 1 46 THR H 1 47 ALA H 2.334 . 3.015 2.709 2.653 2.757 . 0 0 "[ . 1 . 2]" 1
358 1 42 ASP H 1 46 THR H 3.387 . 4.821 4.130 3.737 4.275 . 0 0 "[ . 1 . 2]" 1
359 1 39 LYS HA 1 40 HIS H 2.692 . 3.598 3.463 3.352 3.538 . 0 0 "[ . 1 . 2]" 1
360 1 38 SER HA 1 40 HIS H 2.985 . 6.000 4.046 3.734 4.351 . 0 0 "[ . 1 . 2]" 1
361 1 39 LYS HG2 1 40 HIS H 3.535 2.383 4.687 4.572 3.989 5.127 0.440 6 0 "[ . 1 . 2]" 1
362 1 40 HIS H 1 41 LEU QD 2.825 . 3.823 3.157 2.724 3.824 0.001 12 0 "[ . 1 . 2]" 1
363 1 40 HIS H 1 40 HIS HB2 2.421 . 3.154 2.765 2.582 3.813 0.659 16 1 "[ . 1 .+ 2]" 1
364 1 40 HIS H 1 41 LEU HG 3.900 . 6.000 5.386 3.302 6.084 0.084 2 0 "[ . 1 . 2]" 1
365 1 39 LYS HB2 1 40 HIS H 2.515 . 3.305 2.875 2.556 3.349 0.044 19 0 "[ . 1 . 2]" 1
366 1 40 HIS H 1 40 HIS HA 2.464 . 3.223 2.919 2.894 2.947 . 0 0 "[ . 1 . 2]" 1
367 1 39 LYS H 1 40 HIS H 2.148 . 2.725 2.365 2.193 2.625 . 0 0 "[ . 1 . 2]" 1
368 1 64 GLY HA2 1 65 LEU H 2.599 . 3.443 2.200 2.165 2.248 . 0 0 "[ . 1 . 2]" 1
369 1 32 CYS HB3 1 65 LEU H 2.933 . 4.008 3.319 3.081 3.509 . 0 0 "[ . 1 . 2]" 1
370 1 32 CYS HB2 1 65 LEU H 3.075 . 6.000 4.864 4.622 5.111 . 0 0 "[ . 1 . 2]" 1
371 1 34 LYS QB 1 65 LEU H 2.993 . 6.000 4.410 4.071 4.768 . 0 0 "[ . 1 . 2]" 1
372 1 65 LEU H 1 65 LEU HG 2.440 . 6.000 3.914 3.804 4.027 . 0 0 "[ . 1 . 2]" 1
373 1 65 LEU H 1 65 LEU MD1 2.472 . 3.236 1.778 1.687 1.938 0.021 10 0 "[ . 1 . 2]" 1
374 1 35 THR HA 1 65 LEU H 2.966 . 4.065 3.590 3.317 3.848 . 0 0 "[ . 1 . 2]" 1
375 1 65 LEU H 1 65 LEU HA 2.841 . 3.850 2.921 2.907 2.933 . 0 0 "[ . 1 . 2]" 1
376 1 64 GLY HA3 1 65 LEU H 2.509 . 3.296 3.103 2.951 3.278 . 0 0 "[ . 1 . 2]" 1
377 1 36 GLU H 1 65 LEU H 3.334 . 4.723 4.560 4.238 4.755 0.032 3 0 "[ . 1 . 2]" 1
378 1 104 ASN HB2 1 104 ASN HD21 3.246 . 4.563 2.614 2.196 3.495 . 0 0 "[ . 1 . 2]" 1
379 1 104 ASN HB3 1 104 ASN HD21 3.322 . 4.701 2.927 2.216 3.478 . 0 0 "[ . 1 . 2]" 1
380 1 83 GLN HE21 1 83 GLN HG3 3.186 . 4.455 3.453 2.903 3.497 . 0 0 "[ . 1 . 2]" 1
381 1 83 GLN HE21 1 83 GLN HG2 2.944 . 4.027 2.907 2.125 3.495 . 0 0 "[ . 1 . 2]" 1
382 1 83 GLN HB3 1 83 GLN HE21 3.424 . 4.890 2.138 1.955 2.880 0.003 8 0 "[ . 1 . 2]" 1
383 1 84 THR HB 1 103 ILE H 3.305 . 4.670 3.982 3.672 4.411 . 0 0 "[ . 1 . 2]" 1
384 1 102 PRO HB3 1 103 ILE H 2.678 . 6.000 3.852 3.666 3.972 . 0 0 "[ . 1 . 2]" 1
385 1 85 VAL HB 1 103 ILE H 3.184 . 4.451 4.425 4.299 4.515 0.064 5 0 "[ . 1 . 2]" 1
386 1 103 ILE H 1 103 ILE HG12 2.790 . 6.000 4.349 4.263 4.464 . 0 0 "[ . 1 . 2]" 1
387 1 103 ILE H 1 103 ILE MG 2.264 . 2.905 1.920 1.804 2.070 . 0 0 "[ . 1 . 2]" 1
388 1 85 VAL MG1 1 103 ILE H 2.484 . 3.255 3.219 3.111 3.278 0.023 6 0 "[ . 1 . 2]" 1
389 1 85 VAL HA 1 103 ILE H 2.463 . 3.221 2.109 2.011 2.194 . 0 0 "[ . 1 . 2]" 1
390 1 85 VAL H 1 103 ILE H 3.402 . 4.848 4.515 4.327 4.736 . 0 0 "[ . 1 . 2]" 1
391 1 86 CYS H 1 103 ILE H 3.146 . 4.383 3.690 3.468 3.997 . 0 0 "[ . 1 . 2]" 1
392 1 35 THR H 1 83 GLN HE22 3.166 . 4.419 2.485 1.874 3.648 0.039 1 0 "[ . 1 . 2]" 1
393 1 42 ASP H 1 42 ASP HA 2.616 . 3.471 2.852 2.796 2.929 . 0 0 "[ . 1 . 2]" 1
394 1 41 LEU HA 1 42 ASP H 2.130 . 2.697 2.226 2.140 2.294 . 0 0 "[ . 1 . 2]" 1
395 1 42 ASP H 1 45 THR HB 2.826 . 3.825 2.903 2.553 3.075 . 0 0 "[ . 1 . 2]" 1
396 1 42 ASP H 1 42 ASP HB2 2.430 . 3.168 2.387 2.246 2.651 . 0 0 "[ . 1 . 2]" 1
397 1 42 ASP H 1 42 ASP HB3 2.434 . 6.000 2.908 2.513 3.620 . 0 0 "[ . 1 . 2]" 1
398 1 36 GLU QG 1 42 ASP H 3.262 . 4.592 2.985 2.381 3.764 . 0 0 "[ . 1 . 2]" 1
399 1 41 LEU HB2 1 42 ASP H 2.868 . 3.896 3.860 3.687 4.000 0.104 9 0 "[ . 1 . 2]" 1
400 1 41 LEU HB3 1 42 ASP H 2.722 . 3.648 2.685 2.459 2.863 . 0 0 "[ . 1 . 2]" 1
401 1 41 LEU QD 1 42 ASP H 2.511 . 3.299 3.189 3.038 3.301 0.002 19 0 "[ . 1 . 2]" 1
402 1 41 LEU H 1 42 ASP H 3.060 . 6.000 4.585 4.546 4.607 . 0 0 "[ . 1 . 2]" 1
403 1 42 ASP H 1 45 THR H 3.245 . 4.561 3.930 3.517 4.129 . 0 0 "[ . 1 . 2]" 1
404 1 31 CYS QB 1 68 SER H 3.236 . 4.545 3.100 2.689 4.208 . 0 0 "[ . 1 . 2]" 1
405 1 67 CYS HB2 1 68 SER H 2.927 . 3.998 3.975 3.611 4.183 0.185 5 0 "[ . 1 . 2]" 1
406 1 30 TYR HB3 1 68 SER H 3.177 . 4.439 4.415 4.108 4.485 0.046 16 0 "[ . 1 . 2]" 1
407 1 67 CYS HB3 1 68 SER H 2.938 . 4.017 3.262 2.755 3.865 . 0 0 "[ . 1 . 2]" 1
408 1 68 SER H 1 69 PRO HD3 3.309 . 4.678 4.307 4.071 4.581 . 0 0 "[ . 1 . 2]" 1
409 1 30 TYR HB2 1 68 SER H 3.373 . 6.000 5.910 5.687 6.025 0.025 4 0 "[ . 1 . 2]" 1
410 1 68 SER H 1 70 LEU QD 3.315 . 4.689 4.368 3.789 4.519 . 0 0 "[ . 1 . 2]" 1
411 1 67 CYS HA 1 68 SER H 2.302 . 2.964 2.211 2.158 2.291 . 0 0 "[ . 1 . 2]" 1
412 1 33 ASN H 1 68 SER H 3.230 . 6.000 4.727 4.386 4.895 . 0 0 "[ . 1 . 2]" 1
413 1 31 CYS H 1 68 SER H 2.591 . 3.430 2.966 2.804 3.081 . 0 0 "[ . 1 . 2]" 1
414 1 66 ASN HA 1 67 CYS H 2.206 . 2.814 2.592 2.441 2.707 . 0 0 "[ . 1 . 2]" 1
415 1 67 CYS H 1 95 LEU HA 2.830 . 6.000 3.698 3.350 3.931 . 0 0 "[ . 1 . 2]" 1
416 1 67 CYS H 1 94 GLY HA2 3.238 . 4.548 3.303 2.816 3.558 . 0 0 "[ . 1 . 2]" 1
417 1 67 CYS H 1 67 CYS HB2 2.415 . 3.144 2.543 2.458 2.678 . 0 0 "[ . 1 . 2]" 1
418 1 67 CYS H 1 67 CYS HB3 2.790 . 3.763 3.217 2.530 3.651 . 0 0 "[ . 1 . 2]" 1
419 1 67 CYS H 1 68 SER H 3.196 . 4.473 4.536 4.498 4.560 0.087 3 0 "[ . 1 . 2]" 1
420 1 66 ASN H 1 67 CYS H 2.675 . 3.570 2.858 2.727 2.950 . 0 0 "[ . 1 . 2]" 1
421 1 67 CYS H 1 67 CYS HA 2.870 . 3.900 2.901 2.874 2.939 . 0 0 "[ . 1 . 2]" 1
422 1 65 LEU HA 1 67 CYS H 3.117 . 4.332 3.937 3.762 4.225 . 0 0 "[ . 1 . 2]" 1
423 1 66 ASN HA 1 66 ASN HD21 3.337 . 4.729 2.519 1.916 3.120 0.029 9 0 "[ . 1 . 2]" 1
424 1 66 ASN HD21 1 95 LEU HG 3.387 . 4.821 4.760 4.264 5.134 0.313 20 0 "[ . 1 . 2]" 1
425 1 66 ASN QB 1 66 ASN HD21 3.054 . 4.220 2.432 2.179 2.770 . 0 0 "[ . 1 . 2]" 1
426 1 66 ASN HD21 1 95 LEU MD2 3.220 . 4.516 2.153 1.892 2.925 0.032 6 0 "[ . 1 . 2]" 1
427 1 65 LEU MD2 1 66 ASN HD21 3.340 . 4.735 4.012 3.126 4.803 0.068 2 0 "[ . 1 . 2]" 1
428 1 78 ASN HB2 1 78 ASN HD21 3.116 . 4.330 2.546 2.179 3.482 . 0 0 "[ . 1 . 2]" 1
429 1 78 ASN HB3 1 78 ASN HD21 3.213 . 4.504 2.869 2.207 3.510 . 0 0 "[ . 1 . 2]" 1
430 1 50 GLY HA2 1 54 ILE H 3.071 . 4.250 3.614 3.442 3.778 . 0 0 "[ . 1 . 2]" 1
431 1 54 ILE H 1 54 ILE HG13 2.624 . 3.485 2.267 2.209 2.300 . 0 0 "[ . 1 . 2]" 1
432 1 54 ILE H 1 56 ILE MD 3.183 . 4.449 4.464 4.376 4.507 0.058 4 0 "[ . 1 . 2]" 1
433 1 53 ASN HA 1 54 ILE H 2.353 . 3.045 2.856 2.734 2.948 . 0 0 "[ . 1 . 2]" 1
434 1 53 ASN HB3 1 54 ILE H 3.153 . 4.396 4.332 4.096 4.597 0.201 6 0 "[ . 1 . 2]" 1
435 1 53 ASN HB2 1 54 ILE H 3.270 . 4.607 4.305 4.040 4.589 . 0 0 "[ . 1 . 2]" 1
436 1 49 LEU HB2 1 54 ILE H 3.033 . 6.000 4.688 4.581 4.790 . 0 0 "[ . 1 . 2]" 1
437 1 54 ILE H 1 54 ILE HB 2.233 . 2.856 2.465 2.446 2.486 . 0 0 "[ . 1 . 2]" 1
438 1 52 LEU QD 1 54 ILE H 3.131 . 6.000 4.408 4.269 4.628 . 0 0 "[ . 1 . 2]" 1
439 1 54 ILE H 1 54 ILE MG 2.456 . 6.000 3.761 3.750 3.775 . 0 0 "[ . 1 . 2]" 1
440 1 54 ILE H 1 54 ILE HG12 2.751 . 3.697 3.685 3.634 3.714 0.017 13 0 "[ . 1 . 2]" 1
441 1 52 LEU H 1 54 ILE H 3.052 . 4.216 3.702 3.498 3.824 . 0 0 "[ . 1 . 2]" 1
442 1 54 ILE H 1 55 LYS H 3.193 . 6.000 4.558 4.526 4.584 . 0 0 "[ . 1 . 2]" 1
443 1 62 LEU H 1 63 VAL H 3.262 . 4.592 4.467 4.440 4.507 . 0 0 "[ . 1 . 2]" 1
444 1 60 LYS HA 1 61 ASP H 2.157 . 6.000 3.553 3.492 3.594 . 0 0 "[ . 1 . 2]" 1
445 1 61 ASP H 1 61 ASP HB3 2.976 . 4.083 3.515 3.105 3.682 . 0 0 "[ . 1 . 2]" 1
446 1 61 ASP H 1 61 ASP HB2 3.063 . 4.236 2.409 2.185 2.886 . 0 0 "[ . 1 . 2]" 1
447 1 60 LYS HB2 1 61 ASP H 2.615 . 3.470 2.103 1.827 2.559 . 0 0 "[ . 1 . 2]" 1
448 1 60 LYS HB3 1 61 ASP H 2.647 . 3.523 2.788 2.224 3.491 . 0 0 "[ . 1 . 2]" 1
449 1 60 LYS QG 1 61 ASP H 2.858 . 6.000 3.976 3.718 4.443 . 0 0 "[ . 1 . 2]" 1
450 1 61 ASP H 1 62 LEU MD2 3.422 . 6.000 5.000 4.812 5.254 . 0 0 "[ . 1 . 2]" 1
451 1 60 LYS H 1 61 ASP H 3.259 . 4.587 2.884 2.592 3.217 . 0 0 "[ . 1 . 2]" 1
452 1 61 ASP H 1 62 LEU H 3.256 . 4.581 3.159 2.851 3.612 . 0 0 "[ . 1 . 2]" 1
453 1 86 CYS H 1 86 CYS HB3 2.867 . 3.895 2.671 2.492 3.637 . 0 0 "[ . 1 . 2]" 1
454 1 86 CYS H 1 86 CYS HB2 2.607 . 3.456 2.899 2.449 3.097 . 0 0 "[ . 1 . 2]" 1
455 1 86 CYS H 1 100 CYS HB3 2.956 . 4.048 4.071 3.710 4.129 0.081 4 0 "[ . 1 . 2]" 1
456 1 85 VAL HB 1 86 CYS H 2.499 . 3.279 2.319 2.146 2.388 . 0 0 "[ . 1 . 2]" 1
457 1 85 VAL MG2 1 86 CYS H 2.651 . 3.529 3.571 3.455 3.674 0.145 1 0 "[ . 1 . 2]" 1
458 1 85 VAL MG1 1 86 CYS H 2.613 . 3.466 3.402 3.209 3.469 0.003 13 0 "[ . 1 . 2]" 1
459 1 86 CYS H 1 100 CYS HA 3.423 . 4.887 3.784 3.605 3.851 . 0 0 "[ . 1 . 2]" 1
460 1 85 VAL HA 1 86 CYS H 2.341 . 3.026 2.377 2.321 2.463 . 0 0 "[ . 1 . 2]" 1
461 1 85 VAL H 1 86 CYS H 3.106 . 6.000 4.423 4.406 4.448 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLY HA3 1 58 ASP H 2.934 . 4.010 3.140 3.045 3.258 . 0 0 "[ . 1 . 2]" 1
463 1 57 GLY HA2 1 58 ASP H 2.933 . 4.009 3.385 3.283 3.455 . 0 0 "[ . 1 . 2]" 1
464 1 56 ILE HA 1 58 ASP H 3.310 . 4.679 3.801 3.639 4.003 . 0 0 "[ . 1 . 2]" 1
465 1 58 ASP H 1 58 ASP HB2 2.616 . 3.471 2.850 2.626 3.008 . 0 0 "[ . 1 . 2]" 1
466 1 58 ASP H 1 58 ASP HB3 2.487 . 3.260 2.492 2.349 2.602 . 0 0 "[ . 1 . 2]" 1
467 1 58 ASP H 1 59 LEU HG 3.090 . 4.284 3.492 3.224 3.643 . 0 0 "[ . 1 . 2]" 1
468 1 55 LYS HG2 1 58 ASP H 3.378 . 4.804 3.781 3.112 4.829 0.025 19 0 "[ . 1 . 2]" 1
469 1 56 ILE H 1 58 ASP H 3.398 . 4.841 3.984 3.827 4.153 . 0 0 "[ . 1 . 2]" 1
470 1 59 LEU H 1 59 LEU HA 2.547 . 3.358 2.807 2.755 2.861 . 0 0 "[ . 1 . 2]" 1
471 1 57 GLY HA3 1 59 LEU H 3.176 . 6.000 4.527 4.366 4.671 . 0 0 "[ . 1 . 2]" 1
472 1 57 GLY HA2 1 59 LEU H 3.019 . 4.158 3.857 3.665 4.031 . 0 0 "[ . 1 . 2]" 1
473 1 56 ILE HA 1 59 LEU H 2.704 . 3.618 3.483 3.328 3.630 0.012 6 0 "[ . 1 . 2]" 1
474 1 58 ASP HB2 1 59 LEU H 3.178 . 4.441 4.259 4.085 4.399 . 0 0 "[ . 1 . 2]" 1
475 1 58 ASP HB3 1 59 LEU H 3.004 . 4.132 3.342 2.923 3.660 . 0 0 "[ . 1 . 2]" 1
476 1 59 LEU H 1 59 LEU HG 2.245 . 2.875 2.302 2.127 2.430 . 0 0 "[ . 1 . 2]" 1
477 1 59 LEU H 1 59 LEU HB2 2.311 . 2.978 2.449 2.408 2.528 . 0 0 "[ . 1 . 2]" 1
478 1 59 LEU H 1 59 LEU HB3 2.543 . 6.000 3.574 3.563 3.587 . 0 0 "[ . 1 . 2]" 1
479 1 56 ILE MG 1 59 LEU H 2.892 . 6.000 4.283 4.192 4.461 . 0 0 "[ . 1 . 2]" 1
480 1 54 ILE MG 1 59 LEU H 3.245 . 6.000 4.954 4.650 5.213 . 0 0 "[ . 1 . 2]" 1
481 1 59 LEU H 1 60 LYS H 2.894 . 6.000 4.589 4.515 4.620 . 0 0 "[ . 1 . 2]" 1
482 1 87 CYS HB3 1 98 VAL H 3.209 . 4.496 2.883 2.552 3.077 . 0 0 "[ . 1 . 2]" 1
483 1 87 CYS HB2 1 98 VAL H 3.255 . 4.579 4.006 3.691 4.197 . 0 0 "[ . 1 . 2]" 1
484 1 97 ASN QB 1 98 VAL H 2.712 . 3.631 3.048 2.384 3.497 . 0 0 "[ . 1 . 2]" 1
485 1 98 VAL H 1 98 VAL MG2 2.261 . 2.900 2.191 2.136 2.240 . 0 0 "[ . 1 . 2]" 1
486 1 97 ASN HA 1 98 VAL H 2.338 . 3.021 2.390 2.333 2.445 . 0 0 "[ . 1 . 2]" 1
487 1 98 VAL H 1 98 VAL HA 2.819 . 3.812 2.946 2.938 2.955 . 0 0 "[ . 1 . 2]" 1
488 1 97 ASN H 1 98 VAL H 3.306 . 4.672 4.435 4.340 4.527 . 0 0 "[ . 1 . 2]" 1
489 1 91 TYR H 1 98 VAL H 3.383 . 4.814 4.736 4.350 4.844 0.030 14 0 "[ . 1 . 2]" 1
490 1 95 LEU H 1 95 LEU HA 2.497 . 3.276 2.754 2.735 2.782 . 0 0 "[ . 1 . 2]" 1
491 1 94 GLY HA2 1 95 LEU H 2.842 . 3.851 3.452 3.399 3.504 . 0 0 "[ . 1 . 2]" 1
492 1 66 ASN QB 1 95 LEU H 3.403 . 6.000 5.670 5.590 5.734 . 0 0 "[ . 1 . 2]" 1
493 1 92 GLN HB3 1 95 LEU H 2.759 . 3.711 3.017 2.886 3.129 . 0 0 "[ . 1 . 2]" 1
494 1 95 LEU H 1 95 LEU HB3 2.273 . 6.000 3.610 3.599 3.625 . 0 0 "[ . 1 . 2]" 1
495 1 95 LEU H 1 95 LEU HG 3.052 2.173 3.931 2.128 2.074 2.214 0.099 17 0 "[ . 1 . 2]" 1
496 1 95 LEU H 1 95 LEU HB2 2.338 . 3.022 2.748 2.673 2.798 . 0 0 "[ . 1 . 2]" 1
497 1 95 LEU H 1 95 LEU MD1 2.741 . 3.680 3.726 3.662 3.781 0.101 18 0 "[ . 1 . 2]" 1
498 1 94 GLY H 1 95 LEU H 2.310 . 2.977 2.103 1.954 2.247 . 0 0 "[ . 1 . 2]" 1
499 1 64 GLY HA2 1 97 ASN H 3.288 . 4.639 4.503 4.215 4.671 0.032 19 0 "[ . 1 . 2]" 1
500 1 97 ASN H 1 97 ASN QB 2.695 . 3.603 2.535 2.318 2.699 . 0 0 "[ . 1 . 2]" 1
501 1 96 VAL HB 1 97 ASN H 3.160 . 4.409 3.218 2.653 4.458 0.049 17 0 "[ . 1 . 2]" 1
502 1 63 VAL MG2 1 97 ASN H 2.633 . 3.500 2.961 2.681 3.333 . 0 0 "[ . 1 . 2]" 1
503 1 96 VAL QG 1 97 ASN H 2.553 . 3.589 3.282 2.782 3.454 . 0 0 "[ . 1 . 2]" 1
504 1 64 GLY H 1 97 ASN H 2.739 . 3.677 2.126 1.990 2.252 . 0 0 "[ . 1 . 2]" 1
505 1 97 ASN H 1 97 ASN HA 2.902 . 3.954 2.937 2.922 2.953 . 0 0 "[ . 1 . 2]" 1
506 1 65 LEU HA 1 97 ASN H 3.062 . 6.000 4.105 3.760 4.446 . 0 0 "[ . 1 . 2]" 1
507 1 96 VAL HA 1 97 ASN H 2.197 . 2.800 2.154 2.055 2.272 . 0 0 "[ . 1 . 2]" 1
508 1 53 ASN HB2 1 53 ASN HD22 2.932 . 4.007 3.698 3.471 4.049 0.042 2 0 "[ . 1 . 2]" 1
509 1 93 HIS H 1 93 HIS HA 2.676 . 3.571 2.256 2.239 2.266 . 0 0 "[ . 1 . 2]" 1
510 1 92 GLN HA 1 93 HIS H 2.928 . 4.000 2.917 2.774 3.018 . 0 0 "[ . 1 . 2]" 1
511 1 93 HIS H 1 93 HIS HB3 3.125 . 4.346 4.002 2.997 4.132 . 0 0 "[ . 1 . 2]" 1
512 1 54 ILE HA 1 55 LYS H 2.187 . 2.785 2.220 2.161 2.263 . 0 0 "[ . 1 . 2]" 1
513 1 55 LYS H 1 55 LYS HG3 2.712 . 3.631 3.670 3.537 3.977 0.346 3 0 "[ . 1 . 2]" 1
514 1 55 LYS H 1 55 LYS HG2 2.910 . 3.968 2.775 2.188 4.055 0.087 5 0 "[ . 1 . 2]" 1
515 1 54 ILE HG13 1 55 LYS H 3.355 . 4.762 4.786 4.765 4.811 0.049 13 0 "[ . 1 . 2]" 1
516 1 55 LYS H 1 59 LEU MD2 3.408 . 4.860 4.200 3.769 4.532 . 0 0 "[ . 1 . 2]" 1
517 1 54 ILE MG 1 55 LYS H 2.507 . 3.292 2.267 2.170 2.433 . 0 0 "[ . 1 . 2]" 1
518 1 54 ILE HG12 1 55 LYS H 3.305 . 4.671 4.255 4.183 4.313 . 0 0 "[ . 1 . 2]" 1
519 1 55 LYS H 1 55 LYS HA 2.745 . 3.687 2.914 2.880 2.926 . 0 0 "[ . 1 . 2]" 1
520 1 55 LYS H 1 55 LYS HB2 2.294 . 6.000 3.315 2.225 3.678 . 0 0 "[ . 1 . 2]" 1
521 1 54 ILE MD 1 55 LYS H 3.397 . 4.839 4.932 4.871 5.026 0.187 3 0 "[ . 1 . 2]" 1
522 1 36 GLU HA 1 37 ASP H 2.401 . 3.122 2.207 2.133 2.272 . 0 0 "[ . 1 . 2]" 1
523 1 37 ASP H 1 37 ASP HA 2.841 . 3.850 2.856 2.819 2.894 . 0 0 "[ . 1 . 2]" 1
524 1 37 ASP H 1 37 ASP QB 2.374 . 3.079 2.354 2.251 2.503 . 0 0 "[ . 1 . 2]" 1
525 1 36 GLU QG 1 37 ASP H 3.178 . 4.440 2.893 2.511 3.842 . 0 0 "[ . 1 . 2]" 1
526 1 36 GLU HB3 1 37 ASP H 3.091 . 4.286 3.741 3.265 3.966 . 0 0 "[ . 1 . 2]" 1
527 1 98 VAL HB 1 99 GLY H 2.558 . 3.376 2.651 2.488 2.997 . 0 0 "[ . 1 . 2]" 1
528 1 99 GLY H 1 99 GLY HA3 2.711 . 3.630 2.813 2.792 2.848 . 0 0 "[ . 1 . 2]" 1
529 1 99 GLY H 1 99 GLY HA2 2.650 . 3.528 2.288 2.284 2.295 . 0 0 "[ . 1 . 2]" 1
530 1 98 VAL HA 1 99 GLY H 2.566 . 3.389 2.215 2.116 2.292 . 0 0 "[ . 1 . 2]" 1
531 1 33 ASN QB 1 34 LYS H 2.426 . 3.161 2.816 2.649 2.943 . 0 0 "[ . 1 . 2]" 1
532 1 32 CYS HB2 1 34 LYS H 2.763 . 3.717 3.414 3.137 3.658 . 0 0 "[ . 1 . 2]" 1
533 1 34 LYS H 1 34 LYS HA 2.564 . 3.386 2.833 2.799 2.875 . 0 0 "[ . 1 . 2]" 1
534 1 33 ASN HA 1 34 LYS H 2.763 . 3.717 3.418 3.387 3.458 . 0 0 "[ . 1 . 2]" 1
535 1 34 LYS H 1 34 LYS QB 2.307 . 2.972 2.839 2.773 2.880 . 0 0 "[ . 1 . 2]" 1
536 1 34 LYS H 1 82 ALA MB 2.473 . 6.000 4.420 4.183 4.806 . 0 0 "[ . 1 . 2]" 1
537 1 34 LYS H 1 35 THR MG 2.658 . 6.000 4.382 4.110 4.565 . 0 0 "[ . 1 . 2]" 1
538 1 33 ASN H 1 34 LYS H 2.365 . 3.064 2.610 2.515 2.712 . 0 0 "[ . 1 . 2]" 1
539 1 34 LYS H 1 65 LEU H 2.644 . 6.000 3.994 3.721 4.187 . 0 0 "[ . 1 . 2]" 1
540 1 34 LYS HA 1 35 THR H 2.034 . 2.551 2.248 2.219 2.279 . 0 0 "[ . 1 . 2]" 1
541 1 32 CYS HB3 1 35 THR H 3.339 . 4.732 4.468 4.274 4.801 0.069 1 0 "[ . 1 . 2]" 1
542 1 32 CYS HB2 1 35 THR H 2.949 . 4.036 3.958 3.768 4.061 0.025 8 0 "[ . 1 . 2]" 1
543 1 35 THR H 1 83 GLN HG2 3.233 . 4.540 3.519 3.291 4.573 0.033 1 0 "[ . 1 . 2]" 1
544 1 34 LYS QB 1 35 THR H 2.394 . 6.000 3.602 3.257 3.887 . 0 0 "[ . 1 . 2]" 1
545 1 34 LYS QD 1 35 THR H 2.812 . 3.800 3.047 2.333 3.768 . 0 0 "[ . 1 . 2]" 1
546 1 34 LYS HG3 1 35 THR H 2.440 . 6.000 4.754 2.926 5.476 . 0 0 "[ . 1 . 2]" 1
547 1 35 THR H 1 35 THR MG 2.588 . 3.425 2.701 2.615 2.962 . 0 0 "[ . 1 . 2]" 1
548 1 35 THR H 1 62 LEU MD2 3.384 . 6.000 6.021 5.781 6.090 0.090 20 0 "[ . 1 . 2]" 1
549 1 34 LYS H 1 35 THR H 2.972 . 4.076 3.960 3.826 4.071 . 0 0 "[ . 1 . 2]" 1
550 1 35 THR H 1 35 THR HA 2.749 . 3.693 2.896 2.867 2.919 . 0 0 "[ . 1 . 2]" 1
551 1 35 THR H 1 36 GLU H 3.101 . 6.000 4.554 4.484 4.587 . 0 0 "[ . 1 . 2]" 1
552 1 35 THR H 1 65 LEU H 3.370 . 6.000 5.620 5.491 5.711 . 0 0 "[ . 1 . 2]" 1
553 1 92 GLN HE22 1 92 GLN HG3 2.759 . 3.711 3.615 3.451 3.992 0.281 13 0 "[ . 1 . 2]" 1
554 1 52 LEU QD 1 92 GLN HE22 3.412 . 4.867 4.366 4.260 4.612 . 0 0 "[ . 1 . 2]" 1
555 1 73 ILE HA 1 74 GLY H 3.137 . 4.367 2.391 2.112 3.552 . 0 0 "[ . 1 . 2]" 1
556 1 37 ASP HA 1 38 SER H 2.245 . 2.875 2.136 2.109 2.187 . 0 0 "[ . 1 . 2]" 1
557 1 38 SER H 1 38 SER HA 2.361 . 3.058 2.796 2.722 2.838 . 0 0 "[ . 1 . 2]" 1
558 1 37 ASP QB 1 38 SER H 2.955 . 6.000 3.577 3.437 3.967 . 0 0 "[ . 1 . 2]" 1
559 1 38 SER H 1 62 LEU HG 3.357 . 6.000 5.239 5.128 5.420 . 0 0 "[ . 1 . 2]" 1
560 1 38 SER H 1 62 LEU HB3 3.156 . 4.401 4.506 4.464 4.550 0.149 19 0 "[ . 1 . 2]" 1
561 1 38 SER H 1 63 VAL MG1 2.982 . 4.094 3.182 3.049 3.340 . 0 0 "[ . 1 . 2]" 1
562 1 38 SER H 1 62 LEU MD1 2.455 . 3.209 2.674 2.548 2.827 . 0 0 "[ . 1 . 2]" 1
563 1 38 SER H 1 62 LEU HA 2.638 . 3.508 2.290 2.115 2.443 . 0 0 "[ . 1 . 2]" 1
564 1 38 SER H 1 63 VAL H 3.018 . 4.156 3.472 3.324 3.623 . 0 0 "[ . 1 . 2]" 1
565 1 37 ASP H 1 38 SER H 3.312 . 4.683 4.367 4.305 4.428 . 0 0 "[ . 1 . 2]" 1
566 1 38 SER H 1 39 LYS H 2.671 . 3.563 2.766 2.644 2.880 . 0 0 "[ . 1 . 2]" 1
567 1 72 VAL H 1 72 VAL HB 2.948 . 4.034 3.651 2.695 3.803 . 0 0 "[ . 1 . 2]" 1
568 1 74 GLY HA3 1 75 VAL H 3.024 . 4.167 2.609 2.139 3.545 . 0 0 "[ . 1 . 2]" 1
569 1 74 GLY HA2 1 75 VAL H 3.056 . 4.223 3.243 2.137 3.563 . 0 0 "[ . 1 . 2]" 1
570 1 75 VAL H 1 75 VAL HB 2.962 . 4.058 3.097 2.527 3.690 . 0 0 "[ . 1 . 2]" 1
571 1 75 VAL H 1 75 VAL MG1 2.850 . 3.865 3.254 1.899 4.064 0.199 9 0 "[ . 1 . 2]" 1
572 1 105 ILE HA 1 106 GLY H 2.961 . 4.057 3.374 3.115 3.473 . 0 0 "[ . 1 . 2]" 1
573 1 106 GLY H 1 106 GLY HA2 2.701 . 3.613 2.356 2.281 2.596 . 0 0 "[ . 1 . 2]" 1
574 1 105 ILE HB 1 106 GLY H 3.376 . 4.801 3.868 3.658 4.354 . 0 0 "[ . 1 . 2]" 1
575 1 105 ILE MG 1 106 GLY H 3.318 . 4.694 4.338 4.142 4.419 . 0 0 "[ . 1 . 2]" 1
576 1 104 ASN HA 1 106 GLY H 3.326 . 4.709 3.451 3.221 3.755 . 0 0 "[ . 1 . 2]" 1
577 1 105 ILE H 1 106 GLY H 3.024 . 4.167 2.467 2.166 2.697 . 0 0 "[ . 1 . 2]" 1
578 1 45 THR H 1 49 LEU MD1 3.374 . 6.000 5.550 5.428 5.649 . 0 0 "[ . 1 . 2]" 1
579 1 45 THR H 1 45 THR HB 2.483 . 3.254 2.590 2.485 2.656 . 0 0 "[ . 1 . 2]" 1
580 1 45 THR H 1 45 THR HA 2.439 . 3.183 2.877 2.864 2.895 . 0 0 "[ . 1 . 2]" 1
581 1 42 ASP HB2 1 45 THR H 2.976 . 4.083 3.721 2.925 4.125 0.042 20 0 "[ . 1 . 2]" 1
582 1 42 ASP HB3 1 45 THR H 2.755 . 3.704 2.672 2.120 3.794 0.090 7 0 "[ . 1 . 2]" 1
583 1 45 THR H 1 47 ALA MB 3.057 . 4.225 4.327 4.298 4.372 0.147 14 0 "[ . 1 . 2]" 1
584 1 45 THR H 1 45 THR MG 2.747 . 6.000 3.793 3.782 3.823 . 0 0 "[ . 1 . 2]" 1
585 1 45 THR H 1 48 LEU MD2 3.018 . 4.157 3.861 3.794 3.962 . 0 0 "[ . 1 . 2]" 1
586 1 44 GLY H 1 45 THR H 3.256 . 4.581 2.647 2.503 2.843 . 0 0 "[ . 1 . 2]" 1
587 1 45 THR H 1 46 THR H 2.480 . 3.249 2.442 2.393 2.504 . 0 0 "[ . 1 . 2]" 1
588 1 63 VAL H 1 63 VAL HB 2.462 . 6.000 3.827 3.771 3.869 . 0 0 "[ . 1 . 2]" 1
589 1 62 LEU HB3 1 63 VAL H 2.965 . 4.064 2.279 2.175 2.353 . 0 0 "[ . 1 . 2]" 1
590 1 62 LEU HB2 1 63 VAL H 2.736 . 3.672 3.607 3.523 3.679 0.007 4 0 "[ . 1 . 2]" 1
591 1 63 VAL H 1 63 VAL MG2 2.696 . 3.605 2.925 2.686 3.200 . 0 0 "[ . 1 . 2]" 1
592 1 62 LEU MD1 1 63 VAL H 2.583 . 3.417 3.222 3.152 3.277 . 0 0 "[ . 1 . 2]" 1
593 1 36 GLU HB2 1 63 VAL H 3.367 . 4.784 4.552 3.814 4.824 0.040 3 0 "[ . 1 . 2]" 1
594 1 62 LEU HA 1 63 VAL H 2.359 . 3.055 2.340 2.285 2.384 . 0 0 "[ . 1 . 2]" 1
595 1 28 PRO HB2 1 70 LEU H 3.070 . 4.248 3.665 3.325 4.137 . 0 0 "[ . 1 . 2]" 1
596 1 69 PRO HB2 1 70 LEU H 2.608 . 6.000 3.906 3.786 4.016 . 0 0 "[ . 1 . 2]" 1
597 1 88 THR H 1 88 THR HA 2.460 . 3.217 2.892 2.878 2.916 . 0 0 "[ . 1 . 2]" 1
598 1 88 THR H 1 99 GLY HA2 2.966 . 4.065 4.170 3.913 4.306 0.241 15 0 "[ . 1 . 2]" 1
599 1 87 CYS HB3 1 88 THR H 2.649 . 3.526 2.725 2.427 2.876 . 0 0 "[ . 1 . 2]" 1
600 1 87 CYS HB2 1 88 THR H 2.800 . 3.780 3.718 3.599 3.839 0.059 16 0 "[ . 1 . 2]" 1
601 1 88 THR H 1 98 VAL HB 3.329 . 4.714 4.866 4.831 4.896 0.182 2 0 "[ . 1 . 2]" 1
602 1 88 THR H 1 98 VAL MG2 3.154 . 4.398 3.497 3.384 3.676 . 0 0 "[ . 1 . 2]" 1
603 1 88 THR H 1 100 CYS HA 2.927 . 3.998 4.043 3.925 4.109 0.111 12 0 "[ . 1 . 2]" 1
604 1 87 CYS HA 1 88 THR H 2.422 . 3.156 2.304 2.269 2.398 . 0 0 "[ . 1 . 2]" 1
605 1 88 THR H 1 101 THR H 3.332 . 6.000 5.582 5.462 5.699 . 0 0 "[ . 1 . 2]" 1
606 1 88 THR H 1 100 CYS H 3.345 . 4.744 4.620 4.492 4.732 . 0 0 "[ . 1 . 2]" 1
607 1 50 GLY HA2 1 53 ASN H 3.075 . 4.257 3.296 3.077 3.383 . 0 0 "[ . 1 . 2]" 1
608 1 50 GLY HA3 1 53 ASN H 3.153 . 4.396 4.373 4.217 4.449 0.053 19 0 "[ . 1 . 2]" 1
609 1 49 LEU HA 1 53 ASN H 3.212 . 4.501 4.538 4.451 4.584 0.083 6 0 "[ . 1 . 2]" 1
610 1 53 ASN H 1 54 ILE HG13 3.354 . 4.760 3.960 3.919 4.050 . 0 0 "[ . 1 . 2]" 1
611 1 52 LEU QD 1 53 ASN H 3.067 . 6.000 4.318 4.230 4.393 . 0 0 "[ . 1 . 2]" 1
612 1 53 ASN H 1 54 ILE MD 3.230 . 4.534 4.597 4.566 4.642 0.108 6 0 "[ . 1 . 2]" 1
613 1 52 LEU H 1 53 ASN H 2.338 . 3.022 2.402 2.152 2.506 . 0 0 "[ . 1 . 2]" 1
614 1 91 TYR H 1 96 VAL HB 3.294 . 4.650 4.641 4.154 4.738 0.088 1 0 "[ . 1 . 2]" 1
615 1 91 TYR H 1 96 VAL QG 3.237 . 4.547 3.170 2.737 3.489 . 0 0 "[ . 1 . 2]" 1
616 1 90 THR HB 1 91 TYR H 2.901 . 3.953 4.023 3.992 4.074 0.121 16 0 "[ . 1 . 2]" 1
617 1 91 TYR H 1 91 TYR QB 2.603 . 3.450 2.656 2.373 2.803 . 0 0 "[ . 1 . 2]" 1
618 1 90 THR MG 1 91 TYR H 2.995 . 4.116 3.830 3.517 4.077 . 0 0 "[ . 1 . 2]" 1
619 1 91 TYR H 1 97 ASN HA 2.772 . 3.732 2.874 2.577 3.100 . 0 0 "[ . 1 . 2]" 1
620 1 36 GLU H 1 36 GLU HA 2.799 . 3.778 2.945 2.936 2.956 . 0 0 "[ . 1 . 2]" 1
621 1 35 THR HB 1 36 GLU H 2.502 . 3.284 2.547 2.202 3.120 . 0 0 "[ . 1 . 2]" 1
622 1 36 GLU H 1 36 GLU QG 3.115 . 6.000 4.114 3.857 4.216 . 0 0 "[ . 1 . 2]" 1
623 1 36 GLU H 1 36 GLU HB2 2.709 . 3.626 2.782 2.338 2.991 . 0 0 "[ . 1 . 2]" 1
624 1 36 GLU H 1 63 VAL HB 2.876 . 6.000 5.195 4.983 5.314 . 0 0 "[ . 1 . 2]" 1
625 1 36 GLU H 1 36 GLU HB3 2.646 . 3.521 2.839 2.628 3.191 . 0 0 "[ . 1 . 2]" 1
626 1 36 GLU H 1 62 LEU HB2 2.910 . 6.000 4.697 4.506 4.887 . 0 0 "[ . 1 . 2]" 1
627 1 36 GLU H 1 63 VAL MG1 3.041 . 4.197 4.000 3.717 4.128 . 0 0 "[ . 1 . 2]" 1
628 1 35 THR MG 1 36 GLU H 2.495 . 3.273 3.416 3.364 3.487 0.214 16 0 "[ . 1 . 2]" 1
629 1 35 THR HA 1 36 GLU H 2.272 . 2.917 2.266 2.095 2.414 . 0 0 "[ . 1 . 2]" 1
630 1 36 GLU H 1 62 LEU HA 3.189 . 4.460 4.501 4.442 4.528 0.068 20 0 "[ . 1 . 2]" 1
631 1 36 GLU H 1 64 GLY HA3 3.185 . 4.453 4.478 4.343 4.545 0.092 17 0 "[ . 1 . 2]" 1
632 1 36 GLU H 1 63 VAL H 2.692 . 3.598 2.692 2.649 2.765 . 0 0 "[ . 1 . 2]" 1
633 1 106 GLY HA3 1 107 LEU H 2.519 . 6.000 3.241 2.931 3.519 . 0 0 "[ . 1 . 2]" 1
634 1 46 THR HB 1 47 ALA H 2.440 . 3.184 2.672 2.623 2.750 . 0 0 "[ . 1 . 2]" 1
635 1 92 GLN HE21 1 95 LEU MD2 3.382 . 4.812 4.250 3.832 4.550 . 0 0 "[ . 1 . 2]" 1
636 1 92 GLN HE21 1 95 LEU MD1 3.440 . 4.919 1.820 1.662 2.554 0.299 5 0 "[ . 1 . 2]" 1
637 1 52 LEU HB2 1 54 ILE H 2.790 . 3.763 3.248 3.150 3.414 . 0 0 "[ . 1 . 2]" 1
638 1 87 CYS H 1 88 THR H 3.610 . 5.239 4.505 4.468 4.552 . 0 0 "[ . 1 . 2]" 1
639 1 91 TYR HA 1 92 GLN H 2.314 . 2.983 2.295 2.205 2.371 . 0 0 "[ . 1 . 2]" 1
640 1 86 CYS H 1 87 CYS H 3.657 . 5.329 4.277 4.151 4.360 . 0 0 "[ . 1 . 2]" 1
641 1 87 CYS H 1 101 THR H 3.538 . 5.103 4.623 4.506 4.758 . 0 0 "[ . 1 . 2]" 1
642 1 51 LEU HA 1 52 LEU H 2.706 . 3.621 3.485 3.424 3.503 . 0 0 "[ . 1 . 2]" 1
643 1 29 VAL H 1 30 TYR H 3.387 . 4.821 4.573 4.532 4.607 . 0 0 "[ . 1 . 2]" 1
644 1 63 VAL HA 1 99 GLY H 3.156 . 4.401 3.702 3.287 3.937 . 0 0 "[ . 1 . 2]" 1
645 1 102 PRO HA 1 103 ILE H 2.102 . 2.654 2.143 2.118 2.159 . 0 0 "[ . 1 . 2]" 1
646 1 21 PRO HB3 1 22 LYS H 3.470 . 4.975 4.234 3.653 4.674 . 0 0 "[ . 1 . 2]" 1
647 1 92 GLN HB3 1 93 HIS H 3.555 . 5.135 4.332 4.300 4.352 . 0 0 "[ . 1 . 2]" 1
648 1 90 THR HA 1 91 TYR H 2.226 . 2.845 2.207 2.137 2.266 . 0 0 "[ . 1 . 2]" 1
649 1 29 VAL H 1 70 LEU H 3.525 . 5.079 3.656 3.141 4.303 . 0 0 "[ . 1 . 2]" 1
650 1 72 VAL H 1 72 VAL QG 2.801 . 3.782 1.944 1.816 2.163 0.004 7 0 "[ . 1 . 2]" 1
651 1 29 VAL HA 1 70 LEU H 3.429 . 4.899 4.686 4.447 4.900 0.001 14 0 "[ . 1 . 2]" 1
652 1 35 THR MG 1 83 GLN HE21 3.585 . 5.191 3.916 2.385 5.034 . 0 0 "[ . 1 . 2]" 1
653 1 33 ASN QB 1 33 ASN HD21 3.132 . 4.358 2.274 2.163 2.752 . 0 0 "[ . 1 . 2]" 1
654 1 32 CYS H 1 68 SER H 3.579 . 5.180 4.654 4.433 4.811 . 0 0 "[ . 1 . 2]" 1
655 1 94 GLY H 1 94 GLY HA3 2.422 . 3.156 2.927 2.913 2.941 . 0 0 "[ . 1 . 2]" 1
656 1 18 GLY HA2 1 19 THR H 3.480 . 4.994 2.905 2.111 3.551 . 0 0 "[ . 1 . 2]" 1
657 1 30 TYR H 1 70 LEU H 3.566 . 5.155 4.503 4.297 4.622 . 0 0 "[ . 1 . 2]" 1
658 1 92 GLN HB2 1 92 GLN HE21 3.607 . 5.233 3.536 3.239 3.822 . 0 0 "[ . 1 . 2]" 1
659 1 38 SER H 1 63 VAL MG2 3.354 . 6.000 5.093 4.877 5.387 . 0 0 "[ . 1 . 2]" 1
660 1 83 GLN HA 1 84 THR H 1.964 . 2.446 2.153 2.102 2.235 . 0 0 "[ . 1 . 2]" 1
661 1 92 GLN HE22 1 95 LEU MD2 3.323 . 4.704 4.971 4.836 5.067 0.363 17 0 "[ . 1 . 2]" 1
662 1 73 ILE H 1 74 GLY H 3.418 . 4.878 4.179 2.588 4.599 . 0 0 "[ . 1 . 2]" 1
663 1 65 LEU HB3 1 66 ASN H 3.408 . 4.860 4.133 4.036 4.205 . 0 0 "[ . 1 . 2]" 1
664 1 93 HIS HB3 1 95 LEU H 3.623 2.404 4.842 4.973 4.749 5.283 0.441 15 0 "[ . 1 . 2]" 1
665 1 84 THR MG 1 103 ILE H 3.478 . 4.990 4.767 4.425 5.057 0.067 19 0 "[ . 1 . 2]" 1
666 1 33 ASN H 1 65 LEU MD1 3.449 . 4.936 4.069 3.653 4.340 . 0 0 "[ . 1 . 2]" 1
667 1 37 ASP QB 1 40 HIS H 2.659 . 3.543 2.826 2.455 3.323 . 0 0 "[ . 1 . 2]" 1
668 1 94 GLY HA3 1 95 LEU H 2.871 . 3.901 3.076 2.974 3.167 . 0 0 "[ . 1 . 2]" 1
669 1 29 VAL H 1 70 LEU HB2 3.319 . 4.696 2.814 2.410 3.375 . 0 0 "[ . 1 . 2]" 1
670 1 90 THR H 1 90 THR HA 2.277 . 2.925 2.926 2.902 2.939 0.014 10 0 "[ . 1 . 2]" 1
671 1 36 GLU HB3 1 63 VAL H 3.200 . 4.480 3.499 3.378 3.587 . 0 0 "[ . 1 . 2]" 1
672 1 90 THR HA 1 98 VAL H 2.789 . 3.761 3.256 3.101 3.526 . 0 0 "[ . 1 . 2]" 1
673 1 49 LEU HA 1 54 ILE H 3.034 . 4.185 3.542 3.426 3.665 . 0 0 "[ . 1 . 2]" 1
674 1 90 THR H 1 97 ASN HA 3.437 . 6.000 5.088 4.829 5.293 . 0 0 "[ . 1 . 2]" 1
675 1 56 ILE H 1 59 LEU HG 3.145 . 4.381 4.361 4.270 4.419 0.038 20 0 "[ . 1 . 2]" 1
676 1 36 GLU H 1 64 GLY HA2 3.384 . 4.815 3.042 2.926 3.116 . 0 0 "[ . 1 . 2]" 1
677 1 33 ASN H 1 65 LEU H 3.566 . 5.156 5.053 4.746 5.218 0.062 2 0 "[ . 1 . 2]" 1
678 1 55 LYS HB2 1 58 ASP H 2.766 . 3.722 3.127 2.785 3.366 . 0 0 "[ . 1 . 2]" 1
679 1 58 ASP HA 1 59 LEU H 2.568 . 3.393 3.329 3.219 3.431 0.038 2 0 "[ . 1 . 2]" 1
680 1 62 LEU HG 1 63 VAL H 2.990 . 4.108 4.226 4.169 4.281 0.173 18 0 "[ . 1 . 2]" 1
681 1 66 ASN HD21 1 95 LEU HB3 3.501 . 5.033 4.000 3.200 5.131 0.098 8 0 "[ . 1 . 2]" 1
682 1 38 SER HA 1 63 VAL H 3.595 . 5.210 4.389 4.112 4.606 . 0 0 "[ . 1 . 2]" 1
683 1 88 THR MG 1 99 GLY H 3.566 . 5.155 3.593 3.389 3.818 . 0 0 "[ . 1 . 2]" 1
684 1 46 THR HA 1 49 LEU H 2.941 . 4.022 3.581 3.449 3.677 . 0 0 "[ . 1 . 2]" 1
685 1 54 ILE HB 1 55 LYS H 3.207 . 4.493 3.921 3.854 4.033 . 0 0 "[ . 1 . 2]" 1
686 1 48 LEU H 1 51 LEU HG 3.285 . 4.634 3.995 3.919 4.105 . 0 0 "[ . 1 . 2]" 1
687 1 34 LYS H 1 83 GLN HB3 3.119 . 4.335 4.411 4.345 4.468 0.133 1 0 "[ . 1 . 2]" 1
688 1 80 CYS HB2 1 82 ALA H 3.263 . 4.594 4.243 3.541 4.543 . 0 0 "[ . 1 . 2]" 1
689 1 95 LEU HG 1 96 VAL H 3.334 2.330 4.338 4.095 3.943 4.199 . 0 0 "[ . 1 . 2]" 1
690 1 39 LYS HG3 1 40 HIS H 3.222 . 6.000 5.037 4.818 5.391 . 0 0 "[ . 1 . 2]" 1
691 1 49 LEU HG 1 50 GLY H 3.033 . 4.183 3.986 3.904 4.036 . 0 0 "[ . 1 . 2]" 1
692 1 83 GLN H 1 83 GLN HE21 3.487 . 5.007 4.116 3.933 4.738 . 0 0 "[ . 1 . 2]" 1
693 1 51 LEU H 1 52 LEU QD 3.383 . 4.814 4.360 4.250 4.460 . 0 0 "[ . 1 . 2]" 1
694 1 44 GLY HA2 1 46 THR H 3.041 . 6.000 4.785 4.703 4.910 . 0 0 "[ . 1 . 2]" 1
695 1 35 THR HA 1 63 VAL H 3.500 . 5.032 4.574 4.251 4.803 . 0 0 "[ . 1 . 2]" 1
696 1 34 LYS H 1 34 LYS HG3 2.679 . 6.000 4.944 4.476 5.228 . 0 0 "[ . 1 . 2]" 1
697 1 85 VAL HA 1 101 THR H 3.338 . 4.731 4.366 4.267 4.573 . 0 0 "[ . 1 . 2]" 1
698 1 32 CYS H 1 84 THR HA 2.705 . 3.620 3.227 3.128 3.383 . 0 0 "[ . 1 . 2]" 1
699 1 51 LEU HA 1 53 ASN H 2.610 . 6.000 3.894 3.706 3.978 . 0 0 "[ . 1 . 2]" 1
700 1 35 THR H 1 83 GLN HE21 3.472 . 4.979 2.844 2.577 4.563 . 0 0 "[ . 1 . 2]" 1
701 1 43 LYS HA 1 45 THR H 3.227 . 4.529 4.201 4.025 4.368 . 0 0 "[ . 1 . 2]" 1
702 1 86 CYS H 1 103 ILE HB 3.332 . 4.720 3.548 3.091 3.999 . 0 0 "[ . 1 . 2]" 1
703 1 46 THR HA 1 50 GLY H 3.180 . 4.444 3.887 3.796 4.051 . 0 0 "[ . 1 . 2]" 1
704 1 39 LYS H 1 62 LEU HA 3.523 . 5.074 4.966 4.685 5.101 0.027 19 0 "[ . 1 . 2]" 1
705 1 86 CYS H 1 102 PRO HA 2.982 . 4.094 4.021 3.900 4.101 0.007 14 0 "[ . 1 . 2]" 1
706 1 89 ASN H 1 98 VAL HB 3.024 . 6.000 4.602 4.520 4.764 . 0 0 "[ . 1 . 2]" 1
707 1 35 THR HA 1 64 GLY H 3.402 . 4.848 4.850 4.761 4.909 0.061 2 0 "[ . 1 . 2]" 1
708 1 62 LEU MD2 1 100 CYS H 2.848 . 6.000 4.242 4.165 4.352 . 0 0 "[ . 1 . 2]" 1
709 1 35 THR MG 1 85 VAL H 2.730 . 6.000 4.685 4.568 4.894 . 0 0 "[ . 1 . 2]" 1
710 1 36 GLU HB3 1 64 GLY H 3.529 . 5.086 5.163 5.097 5.226 0.140 4 0 "[ . 1 . 2]" 1
711 1 103 ILE MD 1 105 ILE H 3.315 . 4.689 4.605 4.216 4.733 0.044 13 0 "[ . 1 . 2]" 1
712 1 42 ASP HB2 1 46 THR H 3.561 . 5.146 5.083 4.387 5.406 0.260 16 0 "[ . 1 . 2]" 1
713 1 91 TYR H 1 97 ASN H 3.619 . 5.256 4.792 4.560 4.963 . 0 0 "[ . 1 . 2]" 1
714 1 92 GLN HB3 1 94 GLY H 3.525 . 5.078 3.753 3.618 3.873 . 0 0 "[ . 1 . 2]" 1
715 1 34 LYS H 1 34 LYS QD 2.804 . 6.000 4.599 4.135 5.040 . 0 0 "[ . 1 . 2]" 1
716 1 32 CYS H 1 83 GLN HA 3.432 . 4.905 4.941 4.879 5.013 0.108 1 0 "[ . 1 . 2]" 1
717 1 85 VAL H 1 102 PRO HA 2.972 . 6.000 4.950 4.730 5.204 . 0 0 "[ . 1 . 2]" 1
718 1 47 ALA HA 1 49 LEU H 3.354 . 4.760 4.612 4.579 4.666 . 0 0 "[ . 1 . 2]" 1
719 1 42 ASP H 1 45 THR MG 3.019 . 4.158 4.067 3.711 4.199 0.041 19 0 "[ . 1 . 2]" 1
720 1 91 TYR H 1 97 ASN QB 3.363 . 4.777 4.524 4.393 4.605 . 0 0 "[ . 1 . 2]" 1
721 1 89 ASN H 1 90 THR HA 2.813 . 6.000 4.640 4.571 4.684 . 0 0 "[ . 1 . 2]" 1
722 1 106 GLY H 1 106 GLY HA3 2.782 . 3.749 2.887 2.740 2.952 . 0 0 "[ . 1 . 2]" 1
723 1 67 CYS H 1 94 GLY H 3.534 . 5.096 5.064 4.762 5.158 0.062 5 0 "[ . 1 . 2]" 1
724 1 92 GLN H 1 96 VAL H 3.634 . 5.285 5.131 4.951 5.289 0.004 8 0 "[ . 1 . 2]" 1
725 1 92 GLN H 1 93 HIS H 3.652 . 5.319 2.632 2.570 2.680 . 0 0 "[ . 1 . 2]" 1
726 1 47 ALA MB 1 48 LEU MD1 2.738 . 3.675 2.403 2.352 2.489 . 0 0 "[ . 1 . 2]" 1
727 1 47 ALA MB 1 48 LEU H 2.246 . 2.876 2.324 2.286 2.372 . 0 0 "[ . 1 . 2]" 1
728 1 47 ALA H 1 47 ALA MB 1.970 . 2.455 2.213 2.201 2.222 . 0 0 "[ . 1 . 2]" 1
729 1 47 ALA HA 1 50 GLY H 2.633 . 3.500 3.554 3.512 3.595 0.095 2 0 "[ . 1 . 2]" 1
730 1 47 ALA HA 1 48 LEU H 2.821 . 3.816 3.588 3.581 3.596 . 0 0 "[ . 1 . 2]" 1
731 1 46 THR MG 1 47 ALA HA 2.677 . 3.573 3.605 3.586 3.626 0.053 16 0 "[ . 1 . 2]" 1
732 1 47 ALA HA 1 47 ALA MB 1.937 . 2.406 2.128 2.125 2.131 . 0 0 "[ . 1 . 2]" 1
733 1 48 LEU HB2 1 48 LEU MD2 2.333 . 3.013 2.025 1.988 2.061 . 0 0 "[ . 1 . 2]" 1
734 1 48 LEU HB3 1 48 LEU MD2 1.989 . 6.000 2.954 2.933 2.973 . 0 0 "[ . 1 . 2]" 1
735 1 48 LEU MD2 1 48 LEU HG 1.971 . 2.456 2.117 2.111 2.121 . 0 0 "[ . 1 . 2]" 1
736 1 45 THR HB 1 48 LEU MD2 2.126 . 6.000 4.222 4.169 4.273 . 0 0 "[ . 1 . 2]" 1
737 1 48 LEU HA 1 48 LEU MD1 2.702 . 3.615 1.992 1.966 2.011 . 0 0 "[ . 1 . 2]" 1
738 1 48 LEU HB2 1 48 LEU HG 2.578 . 3.409 2.746 2.728 2.763 . 0 0 "[ . 1 . 2]" 1
739 1 48 LEU HB3 1 48 LEU HG 2.481 . 3.250 2.213 2.210 2.216 . 0 0 "[ . 1 . 2]" 1
740 1 48 LEU HA 1 48 LEU HB2 2.623 . 3.483 3.013 3.010 3.016 . 0 0 "[ . 1 . 2]" 1
741 1 48 LEU HA 1 51 LEU HB2 2.787 . 3.758 2.926 2.737 3.104 . 0 0 "[ . 1 . 2]" 1
742 1 48 LEU HA 1 51 LEU HG 2.563 . 3.384 2.051 1.968 2.139 . 0 0 "[ . 1 . 2]" 1
743 1 48 LEU HA 1 48 LEU HB3 2.501 . 3.283 2.454 2.443 2.467 . 0 0 "[ . 1 . 2]" 1
744 1 48 LEU HA 1 48 LEU HG 2.546 . 3.356 3.451 3.434 3.477 0.121 15 0 "[ . 1 . 2]" 1
745 1 48 LEU H 1 48 LEU HA 2.622 . 3.481 2.810 2.795 2.821 . 0 0 "[ . 1 . 2]" 1
746 1 48 LEU H 1 48 LEU MD1 2.840 . 3.849 2.098 2.046 2.142 . 0 0 "[ . 1 . 2]" 1
747 1 48 LEU HB2 1 48 LEU MD1 2.391 . 3.106 3.056 3.039 3.070 . 0 0 "[ . 1 . 2]" 1
748 1 48 LEU HB3 1 48 LEU MD1 2.223 . 2.841 2.838 2.810 2.861 0.020 10 0 "[ . 1 . 2]" 1
749 1 48 LEU MD1 1 48 LEU HG 2.155 . 2.735 2.122 2.119 2.125 . 0 0 "[ . 1 . 2]" 1
750 1 49 LEU MD2 1 49 LEU HG 2.060 . 2.590 2.128 2.127 2.130 . 0 0 "[ . 1 . 2]" 1
751 1 49 LEU HB3 1 49 LEU MD2 2.086 . 2.630 2.372 2.356 2.384 . 0 0 "[ . 1 . 2]" 1
752 1 45 THR MG 1 49 LEU MD2 2.240 . 2.867 2.897 2.820 2.939 0.072 12 0 "[ . 1 . 2]" 1
753 1 48 LEU MD2 1 49 LEU MD2 1.798 . 6.000 4.106 3.969 4.167 . 0 0 "[ . 1 . 2]" 1
754 1 49 LEU MD2 1 54 ILE MD 2.113 . 2.671 2.106 2.013 2.216 . 0 0 "[ . 1 . 2]" 1
755 1 49 LEU HA 1 49 LEU MD2 2.035 . 2.553 2.132 2.110 2.177 . 0 0 "[ . 1 . 2]" 1
756 1 49 LEU H 1 49 LEU MD2 2.491 . 3.267 2.958 2.858 3.006 . 0 0 "[ . 1 . 2]" 1
757 1 38 SER HA 1 41 LEU QD 2.422 . 2.966 1.744 1.659 2.025 0.030 15 0 "[ . 1 . 2]" 1
758 1 49 LEU HA 1 49 LEU MD1 2.464 . 6.000 3.878 3.869 3.889 . 0 0 "[ . 1 . 2]" 1
759 1 46 THR HA 1 49 LEU MD1 2.401 . 3.122 2.054 1.931 2.203 . 0 0 "[ . 1 . 2]" 1
760 1 38 SER HB3 1 59 LEU MD1 2.499 . 3.279 2.896 2.164 3.307 0.028 8 0 "[ . 1 . 2]" 1
761 1 59 LEU MD1 1 59 LEU HG 2.236 . 2.861 2.124 2.122 2.127 . 0 0 "[ . 1 . 2]" 1
762 1 59 LEU HB2 1 59 LEU MD1 2.176 . 2.768 2.334 2.316 2.359 . 0 0 "[ . 1 . 2]" 1
763 1 41 LEU QD 1 41 LEU HG 2.105 . 2.659 1.874 1.867 1.888 . 0 0 "[ . 1 . 2]" 1
764 1 59 LEU HB3 1 59 LEU MD1 2.179 . 2.772 2.382 2.363 2.405 . 0 0 "[ . 1 . 2]" 1
765 1 49 LEU HB3 1 49 LEU MD1 2.205 . 2.813 2.376 2.358 2.393 . 0 0 "[ . 1 . 2]" 1
766 1 49 LEU HB3 1 49 LEU HG 2.704 . 3.618 3.026 3.023 3.029 . 0 0 "[ . 1 . 2]" 1
767 1 49 LEU HB2 1 56 ILE MD 2.829 . 3.829 2.101 2.016 2.205 . 0 0 "[ . 1 . 2]" 1
768 1 49 LEU HB2 1 49 LEU MD2 2.678 . 3.575 3.206 3.204 3.210 . 0 0 "[ . 1 . 2]" 1
769 1 49 LEU HB2 1 49 LEU MD1 2.582 . 3.415 2.317 2.301 2.332 . 0 0 "[ . 1 . 2]" 1
770 1 49 LEU HB3 1 56 ILE MD 2.807 . 3.792 2.542 2.462 2.730 . 0 0 "[ . 1 . 2]" 1
771 1 49 LEU HB2 1 49 LEU HG 2.526 . 3.324 2.486 2.475 2.493 . 0 0 "[ . 1 . 2]" 1
772 1 49 LEU HB2 1 50 GLY HA3 2.777 . 6.000 4.376 4.335 4.402 . 0 0 "[ . 1 . 2]" 1
773 1 44 GLY HA2 1 47 ALA MB 2.475 . 3.240 2.656 2.581 2.777 . 0 0 "[ . 1 . 2]" 1
774 1 50 GLY H 1 50 GLY HA2 2.219 . 2.834 2.793 2.780 2.805 . 0 0 "[ . 1 . 2]" 1
775 1 50 GLY H 1 50 GLY HA3 2.244 . 2.874 2.291 2.285 2.296 . 0 0 "[ . 1 . 2]" 1
776 1 65 LEU MD2 1 65 LEU HG 1.877 . 2.317 2.119 2.114 2.127 . 0 0 "[ . 1 . 2]" 1
777 1 51 LEU HB2 1 51 LEU MD2 2.160 . 6.000 3.173 3.165 3.179 . 0 0 "[ . 1 . 2]" 1
778 1 65 LEU HA 1 65 LEU MD2 2.297 . 6.000 3.557 3.486 3.596 . 0 0 "[ . 1 . 2]" 1
779 1 51 LEU H 1 51 LEU MD1 2.707 . 6.000 3.766 3.723 3.799 . 0 0 "[ . 1 . 2]" 1
780 1 51 LEU HA 1 51 LEU MD1 2.356 . 6.000 3.791 3.767 3.820 . 0 0 "[ . 1 . 2]" 1
781 1 48 LEU HA 1 51 LEU MD1 2.434 . 3.174 2.342 2.221 2.492 . 0 0 "[ . 1 . 2]" 1
782 1 51 LEU HB2 1 51 LEU MD1 2.176 . 2.768 2.441 2.409 2.472 . 0 0 "[ . 1 . 2]" 1
783 1 105 ILE QG 1 107 LEU QD 2.483 . 3.254 2.830 2.125 3.240 . 0 0 "[ . 1 . 2]" 1
784 1 51 LEU MD2 1 51 LEU HG 2.207 . 2.816 2.123 2.119 2.126 . 0 0 "[ . 1 . 2]" 1
785 1 51 LEU HA 1 51 LEU HG 2.596 . 6.000 3.407 3.349 3.457 . 0 0 "[ . 1 . 2]" 1
786 1 51 LEU HB3 1 52 LEU H 2.870 . 3.900 3.623 3.499 3.883 . 0 0 "[ . 1 . 2]" 1
787 1 51 LEU H 1 51 LEU HB3 2.416 . 6.000 3.611 3.600 3.619 . 0 0 "[ . 1 . 2]" 1
788 1 48 LEU HA 1 51 LEU HB3 2.803 . 6.000 4.209 4.084 4.358 . 0 0 "[ . 1 . 2]" 1
789 1 51 LEU HA 1 51 LEU HB2 2.334 . 3.015 3.023 3.020 3.027 0.012 11 0 "[ . 1 . 2]" 1
790 1 51 LEU HA 1 51 LEU HB3 2.188 . 2.786 2.427 2.411 2.445 . 0 0 "[ . 1 . 2]" 1
791 1 51 LEU HA 1 51 LEU MD2 2.094 . 2.642 2.046 1.993 2.102 . 0 0 "[ . 1 . 2]" 1
792 1 63 VAL MG2 1 64 GLY HA2 2.452 . 3.204 3.210 3.152 3.239 0.035 13 0 "[ . 1 . 2]" 1
793 1 35 THR HA 1 64 GLY HA2 2.961 . 4.057 2.282 2.132 2.401 . 0 0 "[ . 1 . 2]" 1
794 1 64 GLY HA3 1 65 LEU MD1 2.546 . 6.000 4.310 4.164 4.547 . 0 0 "[ . 1 . 2]" 1
795 1 43 LYS HA 1 43 LYS QB 2.519 . 2.990 2.312 2.160 2.408 . 0 0 "[ . 1 . 2]" 1
796 1 43 LYS HA 1 47 ALA H 2.886 . 3.927 3.731 3.565 3.903 . 0 0 "[ . 1 . 2]" 1
797 1 22 LYS QB 1 22 LYS HG2 2.138 . 2.709 2.304 2.155 2.375 . 0 0 "[ . 1 . 2]" 1
798 1 33 ASN QB 1 82 ALA MB 2.750 . 3.847 3.607 3.261 3.724 . 0 0 "[ . 1 . 2]" 1
799 1 82 ALA MB 1 83 GLN HG2 2.710 . 6.000 4.706 4.526 4.870 . 0 0 "[ . 1 . 2]" 1
800 1 103 ILE HB 1 103 ILE MG 2.085 . 2.628 2.123 2.119 2.126 . 0 0 "[ . 1 . 2]" 1
801 1 103 ILE HG13 1 103 ILE MG 2.401 . 3.122 3.195 3.187 3.201 0.079 16 0 "[ . 1 . 2]" 1
802 1 84 THR MG 1 103 ILE MG 2.304 . 2.968 2.776 2.374 3.047 0.079 5 0 "[ . 1 . 2]" 1
803 1 29 VAL MG2 1 103 ILE MG 2.119 . 6.000 3.060 2.435 3.522 . 0 0 "[ . 1 . 2]" 1
804 1 85 VAL H 1 103 ILE MG 2.779 . 3.744 3.387 3.227 3.595 . 0 0 "[ . 1 . 2]" 1
805 1 86 CYS H 1 103 ILE MG 2.893 . 3.939 3.269 2.833 3.638 . 0 0 "[ . 1 . 2]" 1
806 1 86 CYS HA 1 103 ILE MG 2.915 . 3.977 3.872 3.429 4.049 0.072 9 0 "[ . 1 . 2]" 1
807 1 85 VAL HA 1 103 ILE MG 2.426 . 3.162 2.144 1.992 2.391 . 0 0 "[ . 1 . 2]" 1
808 1 98 VAL HB 1 98 VAL MG1 2.137 . 2.708 2.133 2.131 2.135 . 0 0 "[ . 1 . 2]" 1
809 1 98 VAL MG1 1 99 GLY H 2.683 . 3.583 3.511 3.430 3.600 0.017 15 0 "[ . 1 . 2]" 1
810 1 98 VAL H 1 98 VAL MG1 2.719 . 3.643 3.143 3.011 3.217 . 0 0 "[ . 1 . 2]" 1
811 1 91 TYR QE 1 98 VAL MG1 2.441 . 3.186 2.593 2.062 3.129 . 0 0 "[ . 1 . 2]" 1
812 1 98 VAL HB 1 98 VAL MG2 2.059 . 2.589 2.123 2.120 2.125 . 0 0 "[ . 1 . 2]" 1
813 1 89 ASN HB3 1 98 VAL MG2 2.271 . 2.915 2.921 2.675 2.993 0.078 4 0 "[ . 1 . 2]" 1
814 1 91 TYR QD 1 98 VAL MG2 2.753 . 3.700 2.990 2.216 3.327 . 0 0 "[ . 1 . 2]" 1
815 1 91 TYR QE 1 98 VAL MG2 2.114 . 2.672 2.050 1.921 2.504 . 0 0 "[ . 1 . 2]" 1
816 1 98 VAL HA 1 98 VAL MG2 2.711 . 3.630 3.195 3.187 3.204 . 0 0 "[ . 1 . 2]" 1
817 1 98 VAL HA 1 98 VAL MG1 2.220 . 2.836 2.278 2.261 2.295 . 0 0 "[ . 1 . 2]" 1
818 1 98 VAL HA 1 98 VAL HB 2.477 . 3.244 2.515 2.490 2.538 . 0 0 "[ . 1 . 2]" 1
819 1 85 VAL MG1 1 100 CYS HB2 2.747 . 3.690 3.745 3.684 3.811 0.121 16 0 "[ . 1 . 2]" 1
820 1 85 VAL MG1 1 100 CYS HB3 2.613 . 3.466 2.766 2.512 2.920 . 0 0 "[ . 1 . 2]" 1
821 1 85 VAL MG1 1 102 PRO HB3 2.503 . 3.286 3.308 3.199 3.360 0.074 10 0 "[ . 1 . 2]" 1
822 1 85 VAL HB 1 85 VAL MG1 2.241 . 2.869 2.122 2.118 2.125 . 0 0 "[ . 1 . 2]" 1
823 1 85 VAL MG1 1 102 PRO HG3 2.270 . 2.914 2.756 2.543 2.930 0.016 16 0 "[ . 1 . 2]" 1
824 1 85 VAL MG1 1 85 VAL MG2 1.927 . 2.391 2.082 2.070 2.092 . 0 0 "[ . 1 . 2]" 1
825 1 85 VAL MG1 1 101 THR H 2.900 . 3.951 3.964 3.874 3.989 0.038 17 0 "[ . 1 . 2]" 1
826 1 85 VAL MG1 1 86 CYS HA 2.922 . 6.000 5.407 5.302 5.446 . 0 0 "[ . 1 . 2]" 1
827 1 85 VAL HA 1 85 VAL MG1 2.395 . 3.112 2.293 2.216 2.334 . 0 0 "[ . 1 . 2]" 1
828 1 63 VAL MG2 1 96 VAL HA 2.488 . 3.261 3.494 3.414 3.562 0.301 9 0 "[ . 1 . 2]" 1
829 1 96 VAL HA 1 96 VAL QG 2.430 . 3.168 2.168 2.091 2.238 . 0 0 "[ . 1 . 2]" 1
830 1 96 VAL HA 1 96 VAL HB 2.833 . 3.836 2.632 2.527 2.971 . 0 0 "[ . 1 . 2]" 1
831 1 102 PRO HB3 1 102 PRO HG2 2.270 . 2.914 2.657 2.647 2.669 . 0 0 "[ . 1 . 2]" 1
832 1 62 LEU MD2 1 102 PRO HB3 2.890 . 6.000 5.075 4.824 5.251 . 0 0 "[ . 1 . 2]" 1
833 1 102 PRO HB3 1 102 PRO HD2 2.788 . 6.000 3.899 3.790 3.936 . 0 0 "[ . 1 . 2]" 1
834 1 31 CYS HA 1 31 CYS QB 2.652 . 3.531 2.362 2.155 2.411 . 0 0 "[ . 1 . 2]" 1
835 1 31 CYS HA 1 84 THR MG 2.768 . 3.726 2.911 2.803 2.972 . 0 0 "[ . 1 . 2]" 1
836 1 31 CYS HA 1 70 LEU QD 2.629 . 3.493 3.298 2.894 3.429 . 0 0 "[ . 1 . 2]" 1
837 1 84 THR HB 1 103 ILE MG 2.175 . 2.766 2.515 2.147 2.806 0.040 18 0 "[ . 1 . 2]" 1
838 1 84 THR HA 1 84 THR HB 2.500 . 3.281 2.933 2.819 2.992 . 0 0 "[ . 1 . 2]" 1
839 1 60 LYS HE3 1 60 LYS QG 1.993 . 6.000 2.757 2.343 3.314 . 0 0 "[ . 1 . 2]" 1
840 1 92 GLN HB2 1 95 LEU MD1 2.632 . 3.498 3.426 3.178 3.584 0.086 7 0 "[ . 1 . 2]" 1
841 1 37 ASP HA 1 37 ASP QB 2.529 . 3.328 2.389 2.325 2.443 . 0 0 "[ . 1 . 2]" 1
842 1 36 GLU QG 1 41 LEU HA 2.887 . 3.929 2.786 2.164 3.846 . 0 0 "[ . 1 . 2]" 1
843 1 41 LEU HA 1 41 LEU QD 2.097 . 3.029 1.942 1.880 2.017 . 0 0 "[ . 1 . 2]" 1
844 1 37 ASP HA 1 62 LEU HA 2.737 . 3.673 3.060 2.761 3.477 . 0 0 "[ . 1 . 2]" 1
845 1 73 ILE MG 1 74 GLY HA2 2.484 . 3.255 3.245 2.993 3.987 0.732 12 1 "[ . 1 + . 2]" 1
846 1 49 LEU MD1 1 54 ILE HB 2.718 . 3.642 3.731 3.690 3.755 0.113 19 0 "[ . 1 . 2]" 1
847 1 54 ILE HB 1 54 ILE HG12 2.703 . 3.616 3.009 3.005 3.014 . 0 0 "[ . 1 . 2]" 1
848 1 49 LEU HB2 1 54 ILE HB 2.887 . 3.929 3.606 3.462 3.689 . 0 0 "[ . 1 . 2]" 1
849 1 22 LYS HA 1 22 LYS QB 2.232 . 2.855 2.363 2.162 2.439 . 0 0 "[ . 1 . 2]" 1
850 1 22 LYS HA 1 22 LYS HG2 2.429 . 3.166 2.989 2.507 3.772 0.606 2 3 "[ + . 1 * . - 2]" 1
851 1 62 LEU MD2 1 102 PRO HB2 2.836 . 6.000 5.163 5.006 5.252 . 0 0 "[ . 1 . 2]" 1
852 1 85 VAL MG1 1 102 PRO HB2 2.982 . 4.094 4.117 4.017 4.181 0.087 16 0 "[ . 1 . 2]" 1
853 1 102 PRO HB2 1 102 PRO HD2 2.759 . 3.711 2.947 2.744 3.020 . 0 0 "[ . 1 . 2]" 1
854 1 102 PRO HB2 1 102 PRO HG2 2.263 . 2.903 2.336 2.324 2.359 . 0 0 "[ . 1 . 2]" 1
855 1 54 ILE HG12 1 54 ILE MG 2.229 . 2.850 2.264 2.255 2.279 . 0 0 "[ . 1 . 2]" 1
856 1 54 ILE HA 1 54 ILE MG 2.194 . 2.796 2.417 2.389 2.443 . 0 0 "[ . 1 . 2]" 1
857 1 54 ILE MG 1 55 LYS HB2 2.481 . 6.000 4.589 3.784 4.933 . 0 0 "[ . 1 . 2]" 1
858 1 54 ILE HB 1 54 ILE MG 2.002 . 2.503 2.130 2.128 2.131 . 0 0 "[ . 1 . 2]" 1
859 1 54 ILE HG13 1 54 ILE MG 2.283 . 6.000 3.180 3.176 3.186 . 0 0 "[ . 1 . 2]" 1
860 1 54 ILE MG 1 56 ILE MD 2.040 . 6.000 3.196 3.035 3.370 . 0 0 "[ . 1 . 2]" 1
861 1 54 ILE MG 1 59 LEU HG 2.715 . 3.636 3.357 3.199 3.495 . 0 0 "[ . 1 . 2]" 1
862 1 73 ILE HB 1 73 ILE MG 2.169 . 2.757 2.129 2.122 2.134 . 0 0 "[ . 1 . 2]" 1
863 1 75 VAL HA 1 75 VAL HB 2.219 . 6.000 2.813 2.389 3.031 . 0 0 "[ . 1 . 2]" 1
864 1 75 VAL HA 1 75 VAL MG1 1.995 . 2.493 2.423 2.242 3.217 0.724 12 2 "[ - 1 + . 2]" 1
865 1 53 ASN H 1 53 ASN HB2 2.638 . 3.508 3.446 3.164 4.018 0.510 6 1 "[ .+ 1 . 2]" 1
866 1 92 GLN HB3 1 95 LEU HB2 2.719 . 3.643 2.139 1.967 2.328 . 0 0 "[ . 1 . 2]" 1
867 1 87 CYS HA 1 87 CYS HB2 2.850 . 3.865 3.011 2.938 3.024 . 0 0 "[ . 1 . 2]" 1
868 1 87 CYS HA 1 100 CYS HA 2.381 . 3.089 2.056 1.910 2.151 . 0 0 "[ . 1 . 2]" 1
869 1 69 PRO HA 1 69 PRO HB2 2.422 . 3.155 2.930 2.889 2.958 . 0 0 "[ . 1 . 2]" 1
870 1 62 LEU MD2 1 102 PRO HG2 2.666 . 3.554 3.580 3.441 3.684 0.130 1 0 "[ . 1 . 2]" 1
871 1 102 PRO HD2 1 102 PRO HG2 2.409 . 3.134 2.313 2.293 2.361 . 0 0 "[ . 1 . 2]" 1
872 1 70 LEU HB3 1 70 LEU QD 2.655 2.074 3.236 2.143 2.101 2.443 . 0 0 "[ . 1 . 2]" 1
873 1 39 LYS HA 1 39 LYS HG2 2.356 . 3.050 3.326 3.059 3.708 0.658 2 8 "[*+ *.- * ** . *]" 1
874 1 39 LYS HA 1 39 LYS HG3 2.253 . 6.000 3.228 2.313 3.835 . 0 0 "[ . 1 . 2]" 1
875 1 107 LEU HA 1 107 LEU QD 3.295 2.637 3.953 3.026 2.421 3.444 0.216 17 0 "[ . 1 . 2]" 1
876 1 21 PRO HA 1 21 PRO HB3 2.015 . 2.523 2.278 2.254 2.319 . 0 0 "[ . 1 . 2]" 1
877 1 21 PRO HA 1 21 PRO HG3 3.382 2.673 4.091 3.514 3.021 4.045 . 0 0 "[ . 1 . 2]" 1
878 1 73 ILE MD 1 73 ILE QG 1.945 . 2.307 1.886 1.880 1.889 . 0 0 "[ . 1 . 2]" 1
879 1 73 ILE HB 1 73 ILE QG 2.340 . 3.024 2.212 2.174 2.308 . 0 0 "[ . 1 . 2]" 1
880 1 45 THR MG 1 48 LEU MD2 2.028 . 2.542 2.587 2.546 2.646 0.104 20 0 "[ . 1 . 2]" 1
881 1 105 ILE HB 1 105 ILE QG 2.468 . 3.229 2.390 2.351 2.497 . 0 0 "[ . 1 . 2]" 1
882 1 87 CYS HA 1 87 CYS HB3 2.877 . 3.911 2.430 2.383 2.720 . 0 0 "[ . 1 . 2]" 1
883 1 62 LEU MD2 1 102 PRO HG3 2.543 . 3.352 3.178 2.884 3.341 . 0 0 "[ . 1 . 2]" 1
884 1 102 PRO HD2 1 102 PRO HG3 2.554 . 3.369 2.986 2.971 3.010 . 0 0 "[ . 1 . 2]" 1
885 1 102 PRO HB3 1 102 PRO HG3 2.361 . 3.058 2.324 2.312 2.351 . 0 0 "[ . 1 . 2]" 1
886 1 70 LEU H 1 70 LEU HG 2.917 . 3.981 2.428 2.042 4.077 0.096 19 0 "[ . 1 . 2]" 1
887 1 19 THR HA 1 20 PRO HD3 2.031 . 2.547 2.070 1.884 2.517 . 0 0 "[ . 1 . 2]" 1
888 1 19 THR HA 1 19 THR HB 2.508 . 3.294 2.989 2.525 3.032 . 0 0 "[ . 1 . 2]" 1
889 1 19 THR HA 1 20 PRO HD2 2.108 . 2.663 2.342 1.899 2.654 . 0 0 "[ . 1 . 2]" 1
890 1 19 THR HA 1 19 THR MG 2.411 . 3.138 2.346 2.250 3.201 0.063 12 0 "[ . 1 . 2]" 1
891 1 89 ASN HB2 1 98 VAL MG2 2.225 . 2.844 1.879 1.773 2.029 . 0 0 "[ . 1 . 2]" 1
892 1 89 ASN HB2 1 91 TYR QE 2.742 . 3.682 3.182 2.907 3.469 . 0 0 "[ . 1 . 2]" 1
893 1 68 SER H 1 68 SER HB2 2.837 . 3.843 2.727 2.504 3.672 . 0 0 "[ . 1 . 2]" 1
894 1 43 LYS HA 1 43 LYS QD 2.791 . 3.765 2.773 1.946 3.772 0.007 15 0 "[ . 1 . 2]" 1
895 1 55 LYS H 1 55 LYS HD3 2.988 . 4.104 2.093 1.554 2.975 0.318 18 0 "[ . 1 . 2]" 1
896 1 30 TYR HB2 1 85 VAL MG2 2.678 . 3.574 2.611 2.299 2.755 . 0 0 "[ . 1 . 2]" 1
897 1 42 ASP HA 1 42 ASP HB2 2.389 . 3.102 2.683 2.511 3.029 . 0 0 "[ . 1 . 2]" 1
898 1 42 ASP HA 1 42 ASP HB3 2.430 . 3.168 2.889 2.505 3.029 . 0 0 "[ . 1 . 2]" 1
899 1 70 LEU QD 1 80 CYS HB2 2.607 . 3.314 2.081 1.792 2.588 . 0 0 "[ . 1 . 2]" 1
900 1 31 CYS QB 1 70 LEU QD 2.592 . 3.267 1.776 1.685 1.846 0.069 11 0 "[ . 1 . 2]" 1
901 1 29 VAL HB 1 70 LEU QD 2.375 . 3.080 2.288 1.997 2.615 . 0 0 "[ . 1 . 2]" 1
902 1 70 LEU HB2 1 70 LEU QD 2.234 . 2.858 2.242 2.110 2.301 . 0 0 "[ . 1 . 2]" 1
903 1 70 LEU QD 1 84 THR MG 2.142 . 2.715 2.048 1.914 2.390 . 0 0 "[ . 1 . 2]" 1
904 1 43 LYS HA 1 43 LYS HG2 2.424 . 6.000 3.371 2.319 4.231 . 0 0 "[ . 1 . 2]" 1
905 1 43 LYS HA 1 46 THR MG 2.796 . 3.773 3.534 3.367 3.714 . 0 0 "[ . 1 . 2]" 1
906 1 89 ASN HB3 1 91 TYR QE 2.723 . 3.650 3.349 3.003 3.673 0.023 6 0 "[ . 1 . 2]" 1
907 1 68 SER HB3 1 69 PRO HD3 2.407 . 6.000 4.194 3.387 4.762 . 0 0 "[ . 1 . 2]" 1
908 1 105 ILE HA 1 105 ILE HB 2.123 . 2.686 2.628 2.438 2.702 0.016 16 0 "[ . 1 . 2]" 1
909 1 105 ILE HA 1 105 ILE QG 2.738 . 3.675 3.360 3.321 3.414 . 0 0 "[ . 1 . 2]" 1
910 1 105 ILE HA 1 105 ILE MG 2.072 . 2.609 2.185 2.144 2.354 . 0 0 "[ . 1 . 2]" 1
911 1 73 ILE HA 1 73 ILE MD 2.586 . 3.422 2.576 1.927 3.710 0.288 18 0 "[ . 1 . 2]" 1
912 1 73 ILE MD 1 77 GLY HA2 2.991 . 4.109 3.731 2.290 4.821 0.712 20 2 "[ . 1 . - +]" 1
913 1 23 SER QB 1 73 ILE MD 2.973 . 4.078 3.387 2.560 3.997 . 0 0 "[ . 1 . 2]" 1
914 1 73 ILE HB 1 73 ILE MD 2.700 2.095 3.305 3.013 2.513 3.241 . 0 0 "[ . 1 . 2]" 1
915 1 70 LEU HB3 1 73 ILE MD 2.527 . 3.325 3.003 2.198 3.393 0.068 20 0 "[ . 1 . 2]" 1
916 1 36 GLU HB2 1 41 LEU QD 2.682 . 3.581 3.499 3.203 3.675 0.094 20 0 "[ . 1 . 2]" 1
917 1 41 LEU HB3 1 41 LEU QD 2.464 . 3.223 2.337 2.082 2.467 . 0 0 "[ . 1 . 2]" 1
918 1 41 LEU HB3 1 41 LEU HG 2.786 . 3.756 2.482 2.271 3.017 . 0 0 "[ . 1 . 2]" 1
919 1 59 LEU HA 1 59 LEU HG 2.775 . 3.738 3.051 2.972 3.124 . 0 0 "[ . 1 . 2]" 1
920 1 59 LEU HA 1 59 LEU HB3 2.526 . 3.323 2.486 2.457 2.523 . 0 0 "[ . 1 . 2]" 1
921 1 66 ASN HA 1 95 LEU MD1 2.687 . 6.000 5.193 4.956 5.352 . 0 0 "[ . 1 . 2]" 1
922 1 66 ASN HA 1 66 ASN QB 2.333 . 3.013 2.409 2.311 2.530 . 0 0 "[ . 1 . 2]" 1
923 1 66 ASN H 1 66 ASN HA 2.473 . 3.237 2.267 2.254 2.278 . 0 0 "[ . 1 . 2]" 1
924 1 46 THR MG 1 56 ILE MD 1.942 . 6.000 2.533 2.227 2.743 . 0 0 "[ . 1 . 2]" 1
925 1 46 THR MG 1 49 LEU MD1 2.162 . 6.000 3.429 3.229 3.612 . 0 0 "[ . 1 . 2]" 1
926 1 46 THR HA 1 46 THR MG 2.153 . 2.732 2.423 2.413 2.445 . 0 0 "[ . 1 . 2]" 1
927 1 46 THR MG 1 47 ALA MB 2.309 . 6.000 4.298 4.272 4.329 . 0 0 "[ . 1 . 2]" 1
928 1 46 THR HB 1 46 THR MG 2.161 . 2.745 2.129 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
929 1 43 LYS QB 1 46 THR MG 2.461 . 6.000 4.564 4.106 4.932 . 0 0 "[ . 1 . 2]" 1
930 1 46 THR MG 1 47 ALA H 2.583 . 3.417 3.504 3.486 3.521 0.104 20 0 "[ . 1 . 2]" 1
931 1 90 THR HB 1 90 THR MG 2.216 . 2.830 2.132 2.130 2.135 . 0 0 "[ . 1 . 2]" 1
932 1 36 GLU HA 1 36 GLU QG 2.355 . 3.048 2.785 2.483 2.953 . 0 0 "[ . 1 . 2]" 1
933 1 36 GLU HA 1 36 GLU HB2 2.271 . 2.916 2.606 2.495 2.820 . 0 0 "[ . 1 . 2]" 1
934 1 40 HIS HA 1 40 HIS HB2 2.486 . 3.259 2.983 2.460 3.024 . 0 0 "[ . 1 . 2]" 1
935 1 40 HIS HA 1 40 HIS HB3 2.474 . 3.239 2.532 2.365 2.627 . 0 0 "[ . 1 . 2]" 1
936 1 62 LEU MD2 1 102 PRO HD2 2.473 . 3.237 3.377 3.245 3.998 0.761 1 3 "[+ *. 1 .- 2]" 1
937 1 54 ILE MD 1 96 VAL QG 2.283 . 2.935 2.662 2.067 2.927 . 0 0 "[ . 1 . 2]" 1
938 1 91 TYR QB 1 96 VAL QG 2.694 2.349 3.601 1.820 1.759 2.109 0.590 10 16 "[**-*. ***+****** **]" 1
939 1 92 GLN HB3 1 96 VAL QG 2.870 . 3.899 3.635 3.385 4.595 0.696 17 2 "[ - 1 . + 2]" 1
940 1 96 VAL HB 1 96 VAL QG 2.087 . 2.618 1.894 1.889 1.897 . 0 0 "[ . 1 . 2]" 1
941 1 48 LEU HG 1 96 VAL QG 2.615 . 2.980 2.927 2.861 2.992 0.012 4 0 "[ . 1 . 2]" 1
942 1 96 VAL H 1 96 VAL QG 2.912 2.185 3.442 2.240 2.108 3.121 0.077 20 0 "[ . 1 . 2]" 1
943 1 55 LYS HB2 1 55 LYS HG3 2.059 . 2.589 2.462 2.252 3.007 0.418 6 0 "[ . 1 . 2]" 1
944 1 55 LYS HB2 1 56 ILE H 2.801 . 3.782 3.673 3.393 4.419 0.637 3 5 "[* + -* 1 . *2]" 1
945 1 62 LEU MD2 1 101 THR MG 2.759 . 3.710 3.631 3.323 3.763 0.053 19 0 "[ . 1 . 2]" 1
946 1 101 THR MG 1 102 PRO HG3 2.682 . 6.000 5.624 5.274 5.856 . 0 0 "[ . 1 . 2]" 1
947 1 101 THR MG 1 102 PRO HD2 2.500 . 6.000 3.479 3.087 3.688 . 0 0 "[ . 1 . 2]" 1
948 1 61 ASP HB3 1 101 THR MG 2.370 . 3.072 2.904 2.488 3.090 0.018 10 0 "[ . 1 . 2]" 1
949 1 61 ASP HB2 1 101 THR MG 2.417 . 3.147 2.764 2.369 2.997 . 0 0 "[ . 1 . 2]" 1
950 1 101 THR H 1 101 THR MG 2.699 . 3.610 3.043 2.885 3.336 . 0 0 "[ . 1 . 2]" 1
951 1 62 LEU H 1 101 THR MG 2.605 . 6.000 4.011 3.889 4.175 . 0 0 "[ . 1 . 2]" 1
952 1 46 THR HA 1 49 LEU HB2 2.772 . 3.732 2.715 2.534 2.862 . 0 0 "[ . 1 . 2]" 1
953 1 46 THR HA 1 56 ILE MD 2.577 . 3.407 3.021 2.710 3.254 . 0 0 "[ . 1 . 2]" 1
954 1 71 SER HA 1 72 VAL QG 2.685 . 6.000 4.259 4.039 4.414 . 0 0 "[ . 1 . 2]" 1
955 1 52 LEU QD 1 54 ILE MD 2.376 . 3.082 2.168 2.018 2.365 . 0 0 "[ . 1 . 2]" 1
956 1 49 LEU HA 1 52 LEU QD 2.635 . 3.503 2.667 2.394 2.829 . 0 0 "[ . 1 . 2]" 1
957 1 51 LEU HB2 1 52 LEU QD 2.648 . 3.525 3.322 3.262 3.379 . 0 0 "[ . 1 . 2]" 1
958 1 52 LEU QD 1 52 LEU HG 2.166 . 2.477 1.891 1.889 1.893 . 0 0 "[ . 1 . 2]" 1
959 1 52 LEU HB2 1 52 LEU QD 2.093 . 2.640 2.126 2.099 2.170 . 0 0 "[ . 1 . 2]" 1
960 1 69 PRO HD3 1 69 PRO HG3 2.638 . 3.508 2.315 2.307 2.320 . 0 0 "[ . 1 . 2]" 1
961 1 69 PRO HD2 1 69 PRO HG3 2.538 . 3.343 2.996 2.992 2.999 . 0 0 "[ . 1 . 2]" 1
962 1 30 TYR QE 1 69 PRO HG3 2.804 . 3.787 3.015 2.552 3.771 . 0 0 "[ . 1 . 2]" 1
963 1 88 THR HB 1 88 THR MG 1.973 . 2.459 2.134 2.131 2.139 . 0 0 "[ . 1 . 2]" 1
964 1 88 THR H 1 88 THR MG 2.393 . 3.109 2.036 1.908 2.151 . 0 0 "[ . 1 . 2]" 1
965 1 29 VAL HA 1 86 CYS HA 2.854 . 3.872 3.175 2.307 3.630 . 0 0 "[ . 1 . 2]" 1
966 1 86 CYS HA 1 86 CYS HB3 2.664 . 3.551 3.005 2.611 3.033 . 0 0 "[ . 1 . 2]" 1
967 1 86 CYS HA 1 86 CYS HB2 2.746 . 3.689 2.527 2.427 3.000 . 0 0 "[ . 1 . 2]" 1
968 1 29 VAL MG1 1 86 CYS HA 2.940 . 4.021 3.145 2.656 3.781 . 0 0 "[ . 1 . 2]" 1
969 1 86 CYS H 1 86 CYS HA 2.843 . 3.853 2.944 2.940 2.950 . 0 0 "[ . 1 . 2]" 1
970 1 28 PRO HA 1 28 PRO HB2 2.348 . 3.037 2.915 2.686 2.969 . 0 0 "[ . 1 . 2]" 1
971 1 28 PRO HA 1 28 PRO HB3 2.339 . 3.023 2.279 2.251 2.305 . 0 0 "[ . 1 . 2]" 1
972 1 28 PRO HA 1 29 VAL MG2 2.659 . 3.543 3.556 3.457 3.621 0.078 4 0 "[ . 1 . 2]" 1
973 1 28 PRO HA 1 29 VAL H 2.235 . 2.859 2.367 2.158 2.848 . 0 0 "[ . 1 . 2]" 1
974 1 81 SER HA 1 81 SER HB3 2.420 . 3.152 2.634 2.354 3.033 . 0 0 "[ . 1 . 2]" 1
975 1 81 SER HA 1 81 SER HB2 2.391 . 3.105 2.821 2.470 3.032 . 0 0 "[ . 1 . 2]" 1
976 1 19 THR MG 1 20 PRO HD3 2.785 . 3.754 3.326 3.003 4.249 0.495 12 0 "[ . 1 . 2]" 1
977 1 19 THR MG 1 21 PRO HD2 2.495 . 3.273 2.067 1.774 3.476 0.203 13 0 "[ . 1 . 2]" 1
978 1 19 THR MG 1 21 PRO HG3 2.773 . 3.734 3.415 1.930 3.841 0.107 17 0 "[ . 1 . 2]" 1
979 1 70 LEU QD 1 80 CYS HB3 2.592 . 3.305 2.760 2.284 3.059 . 0 0 "[ . 1 . 2]" 1
980 1 70 LEU QD 1 70 LEU HG 1.990 . 2.485 1.887 1.871 1.890 . 0 0 "[ . 1 . 2]" 1
981 1 60 LYS HB2 1 60 LYS QG 1.995 . 2.492 2.346 2.163 2.420 . 0 0 "[ . 1 . 2]" 1
982 1 103 ILE HB 1 103 ILE HG13 2.491 . 3.267 2.436 2.395 2.488 . 0 0 "[ . 1 . 2]" 1
983 1 73 ILE HA 1 73 ILE QG 2.773 . 3.593 2.685 2.244 2.968 . 0 0 "[ . 1 . 2]" 1
984 1 73 ILE HA 1 73 ILE HB 2.291 . 2.947 3.005 2.999 3.012 0.065 8 0 "[ . 1 . 2]" 1
985 1 49 LEU HA 1 52 LEU HG 2.896 . 6.000 4.434 4.198 4.643 . 0 0 "[ . 1 . 2]" 1
986 1 84 THR HB 1 84 THR MG 2.120 . 2.682 2.138 2.132 2.141 . 0 0 "[ . 1 . 2]" 1
987 1 80 CYS HB3 1 84 THR MG 2.491 . 3.267 3.085 2.232 3.394 0.127 7 0 "[ . 1 . 2]" 1
988 1 31 CYS QB 1 84 THR MG 2.781 . 3.748 2.744 2.240 3.237 . 0 0 "[ . 1 . 2]" 1
989 1 29 VAL HB 1 84 THR MG 2.778 . 3.742 3.748 3.357 3.802 0.060 10 0 "[ . 1 . 2]" 1
990 1 70 LEU HG 1 84 THR MG 2.518 . 6.000 3.974 3.435 4.370 . 0 0 "[ . 1 . 2]" 1
991 1 84 THR MG 1 85 VAL H 2.530 . 3.330 2.977 2.733 3.236 . 0 0 "[ . 1 . 2]" 1
992 1 84 THR HA 1 84 THR MG 2.174 . 2.765 2.169 2.125 2.212 . 0 0 "[ . 1 . 2]" 1
993 1 34 LYS QB 1 34 LYS HG3 2.590 2.044 3.136 2.194 2.140 2.392 . 0 0 "[ . 1 . 2]" 1
994 1 34 LYS QB 1 34 LYS HE2 2.812 . 3.801 3.012 1.974 4.392 0.591 16 1 "[ . 1 .+ 2]" 1
995 1 55 LYS HE3 1 55 LYS HG3 2.237 . 2.863 2.967 2.424 3.700 0.837 19 5 "[ -*. 1 * . +*]" 1
996 1 73 ILE HA 1 73 ILE MG 2.300 . 2.961 2.411 2.341 2.490 . 0 0 "[ . 1 . 2]" 1
997 1 56 ILE MG 1 57 GLY HA2 2.575 . 3.404 3.177 3.012 3.328 . 0 0 "[ . 1 . 2]" 1
998 1 56 ILE HA 1 56 ILE MG 2.115 . 2.674 2.562 2.526 2.586 . 0 0 "[ . 1 . 2]" 1
999 1 56 ILE HB 1 56 ILE MG 1.814 . 2.225 2.125 2.123 2.128 . 0 0 "[ . 1 . 2]" 1
1000 1 56 ILE HG12 1 56 ILE MG 2.021 . 2.531 2.286 2.266 2.312 . 0 0 "[ . 1 . 2]" 1
1001 1 73 ILE QG 1 73 ILE MG 2.037 . 2.556 2.364 2.271 2.484 . 0 0 "[ . 1 . 2]" 1
1002 1 56 ILE HG13 1 56 ILE MG 1.820 . 2.234 2.369 2.350 2.390 0.156 17 0 "[ . 1 . 2]" 1
1003 1 56 ILE H 1 56 ILE MG 2.477 . 6.000 3.713 3.694 3.734 . 0 0 "[ . 1 . 2]" 1
1004 1 103 ILE HB 1 103 ILE HG12 2.582 . 3.415 3.025 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
1005 1 55 LYS HB2 1 58 ASP HB3 2.857 . 3.877 2.933 1.943 3.809 . 0 0 "[ . 1 . 2]" 1
1006 1 41 LEU HA 1 41 LEU HB3 2.606 . 3.455 2.499 2.462 2.520 . 0 0 "[ . 1 . 2]" 1
1007 1 70 LEU HA 1 70 LEU HB3 2.309 . 2.975 2.385 2.344 2.566 . 0 0 "[ . 1 . 2]" 1
1008 1 61 ASP HA 1 61 ASP HB3 2.507 . 3.292 2.668 2.479 2.953 . 0 0 "[ . 1 . 2]" 1
1009 1 61 ASP HA 1 61 ASP HB2 2.692 . 3.598 2.947 2.722 3.022 . 0 0 "[ . 1 . 2]" 1
1010 1 61 ASP HA 1 62 LEU H 2.681 . 3.580 3.479 3.366 3.536 . 0 0 "[ . 1 . 2]" 1
1011 1 34 LYS HG3 1 65 LEU MD1 2.803 . 6.000 4.059 3.481 4.585 . 0 0 "[ . 1 . 2]" 1
1012 1 45 THR HA 1 48 LEU HB2 2.689 . 3.593 3.385 3.219 3.546 . 0 0 "[ . 1 . 2]" 1
1013 1 45 THR HA 1 48 LEU HB3 2.738 . 6.000 4.937 4.795 5.082 . 0 0 "[ . 1 . 2]" 1
1014 1 45 THR HA 1 48 LEU MD2 2.537 . 3.341 1.731 1.705 1.760 0.028 1 0 "[ . 1 . 2]" 1
1015 1 45 THR HA 1 48 LEU MD1 2.702 . 3.615 3.764 3.735 3.789 0.174 18 0 "[ . 1 . 2]" 1
1016 1 45 THR HA 1 48 LEU H 2.874 . 3.907 3.178 3.099 3.260 . 0 0 "[ . 1 . 2]" 1
1017 1 38 SER HA 1 41 LEU HG 2.599 . 3.443 3.233 1.958 3.679 0.236 18 0 "[ . 1 . 2]" 1
1018 1 38 SER HA 1 41 LEU H 2.741 . 6.000 3.987 3.718 4.210 . 0 0 "[ . 1 . 2]" 1
1019 1 53 ASN H 1 53 ASN HB3 2.618 . 6.000 3.924 3.099 4.156 . 0 0 "[ . 1 . 2]" 1
1020 1 49 LEU HA 1 49 LEU HB2 2.426 . 3.162 3.009 3.005 3.012 . 0 0 "[ . 1 . 2]" 1
1021 1 49 LEU HA 1 49 LEU HB3 2.308 . 2.974 2.402 2.382 2.414 . 0 0 "[ . 1 . 2]" 1
1022 1 62 LEU HA 1 62 LEU HG 2.743 . 3.683 3.592 3.566 3.622 . 0 0 "[ . 1 . 2]" 1
1023 1 62 LEU HA 1 63 VAL HB 2.842 . 6.000 5.593 5.438 5.698 . 0 0 "[ . 1 . 2]" 1
1024 1 62 LEU HA 1 62 LEU MD1 2.321 . 2.995 1.948 1.916 1.975 . 0 0 "[ . 1 . 2]" 1
1025 1 62 LEU H 1 62 LEU HA 2.866 . 3.893 2.947 2.940 2.951 . 0 0 "[ . 1 . 2]" 1
1026 1 55 LYS HA 1 56 ILE MD 2.680 . 3.578 3.007 2.856 3.179 . 0 0 "[ . 1 . 2]" 1
1027 1 49 LEU HA 1 56 ILE MD 2.626 . 6.000 4.405 4.313 4.497 . 0 0 "[ . 1 . 2]" 1
1028 1 56 ILE HA 1 56 ILE MD 2.116 . 2.676 2.707 2.673 2.749 0.073 12 0 "[ . 1 . 2]" 1
1029 1 56 ILE HB 1 56 ILE MD 2.022 . 2.533 2.438 2.420 2.452 . 0 0 "[ . 1 . 2]" 1
1030 1 56 ILE MD 1 56 ILE HG12 1.917 . 2.376 2.117 2.115 2.119 . 0 0 "[ . 1 . 2]" 1
1031 1 56 ILE MD 1 56 ILE HG13 1.755 . 2.140 2.125 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
1032 1 50 GLY H 1 56 ILE MD 2.644 . 3.518 3.596 3.545 3.671 0.153 2 0 "[ . 1 . 2]" 1
1033 1 29 VAL HB 1 29 VAL MG1 2.140 . 2.712 2.126 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
1034 1 29 VAL MG1 1 70 LEU HB2 2.393 . 6.000 3.448 2.975 3.882 . 0 0 "[ . 1 . 2]" 1
1035 1 29 VAL MG1 1 84 THR MG 2.128 . 2.694 1.999 1.831 2.245 . 0 0 "[ . 1 . 2]" 1
1036 1 29 VAL HA 1 29 VAL MG1 2.191 . 2.791 2.441 2.340 2.494 . 0 0 "[ . 1 . 2]" 1
1037 1 63 VAL MG2 1 96 VAL HB 2.620 . 6.000 4.196 3.858 5.603 . 0 0 "[ . 1 . 2]" 1
1038 1 91 TYR QB 1 96 VAL HB 2.872 . 3.903 3.466 2.659 3.898 . 0 0 "[ . 1 . 2]" 1
1039 1 65 LEU MD2 1 66 ASN QB 2.806 . 3.790 2.200 1.921 2.432 . 0 0 "[ . 1 . 2]" 1
1040 1 65 LEU H 1 65 LEU MD2 2.819 . 3.813 3.567 3.335 3.757 . 0 0 "[ . 1 . 2]" 1
1041 1 65 LEU MD2 1 66 ASN H 2.760 . 3.712 3.448 3.182 3.663 . 0 0 "[ . 1 . 2]" 1
1042 1 35 THR MG 1 83 GLN HG2 2.782 . 3.750 2.458 2.165 3.483 . 0 0 "[ . 1 . 2]" 1
1043 1 55 LYS HB2 1 58 ASP HB2 2.802 . 3.783 3.187 2.422 3.693 . 0 0 "[ . 1 . 2]" 1
1044 1 55 LYS HD3 1 58 ASP HB2 2.981 . 6.000 5.055 4.205 5.703 . 0 0 "[ . 1 . 2]" 1
1045 1 52 LEU HA 1 52 LEU QD 2.006 . 2.509 2.441 2.268 2.517 0.008 6 0 "[ . 1 . 2]" 1
1046 1 52 LEU QD 1 91 TYR QB 2.667 . 3.556 2.005 1.850 2.187 . 0 0 "[ . 1 . 2]" 1
1047 1 52 LEU QD 1 92 GLN HG3 2.253 . 2.887 2.215 2.124 2.322 . 0 0 "[ . 1 . 2]" 1
1048 1 107 LEU H 1 107 LEU HG 2.842 . 3.852 2.625 1.849 4.000 0.148 16 0 "[ . 1 . 2]" 1
1049 1 52 LEU HA 1 52 LEU HG 2.438 . 3.181 2.807 2.744 2.893 . 0 0 "[ . 1 . 2]" 1
1050 1 52 LEU HA 1 52 LEU HB2 2.211 . 6.000 3.016 3.012 3.019 . 0 0 "[ . 1 . 2]" 1
1051 1 59 LEU HB3 1 59 LEU HG 2.695 . 3.603 3.017 3.012 3.022 . 0 0 "[ . 1 . 2]" 1
1052 1 88 THR MG 1 99 GLY HA2 2.752 . 3.699 3.485 3.214 3.754 0.055 15 0 "[ . 1 . 2]" 1
1053 1 63 VAL HA 1 63 VAL MG1 2.422 . 3.155 2.805 2.705 2.922 . 0 0 "[ . 1 . 2]" 1
1054 1 63 VAL HA 1 63 VAL MG2 2.326 . 3.002 3.095 3.034 3.144 0.142 1 0 "[ . 1 . 2]" 1
1055 1 63 VAL HA 1 98 VAL HA 2.710 . 3.628 2.596 2.306 2.798 . 0 0 "[ . 1 . 2]" 1
1056 1 25 SER HA 1 25 SER HB2 2.109 . 2.665 2.752 2.487 3.030 0.365 9 0 "[ . 1 . 2]" 1
1057 1 88 THR MG 1 99 GLY HA3 2.913 . 3.973 2.029 1.867 2.291 . 0 0 "[ . 1 . 2]" 1
1058 1 30 TYR QE 1 90 THR MG 2.980 . 4.090 2.416 2.135 2.844 . 0 0 "[ . 1 . 2]" 1
1059 1 40 HIS H 1 40 HIS HB3 2.724 . 3.652 3.761 3.277 3.857 0.205 8 0 "[ . 1 . 2]" 1
1060 1 32 CYS HB3 1 65 LEU MD1 2.641 . 3.513 3.543 3.362 3.634 0.121 12 0 "[ . 1 . 2]" 1
1061 1 36 GLU HB2 1 65 LEU MD1 2.523 . 3.319 3.349 2.980 3.454 0.135 15 0 "[ . 1 . 2]" 1
1062 1 34 LYS QB 1 65 LEU MD1 2.172 . 2.762 2.193 1.878 2.625 . 0 0 "[ . 1 . 2]" 1
1063 1 34 LYS QD 1 65 LEU MD1 2.030 . 6.000 4.353 2.721 5.165 . 0 0 "[ . 1 . 2]" 1
1064 1 65 LEU MD1 1 65 LEU HG 1.923 . 2.385 2.108 2.105 2.111 . 0 0 "[ . 1 . 2]" 1
1065 1 85 VAL HA 1 85 VAL HB 2.650 . 3.528 2.538 2.515 2.590 . 0 0 "[ . 1 . 2]" 1
1066 1 63 VAL HB 1 63 VAL MG1 2.390 . 3.104 2.113 2.107 2.119 . 0 0 "[ . 1 . 2]" 1
1067 1 41 LEU QD 1 63 VAL HB 2.588 . 6.000 3.765 3.640 3.843 . 0 0 "[ . 1 . 2]" 1
1068 1 54 ILE MG 1 59 LEU MD2 1.954 . 2.431 2.192 2.010 2.353 . 0 0 "[ . 1 . 2]" 1
1069 1 59 LEU HA 1 59 LEU MD2 2.102 . 2.654 1.978 1.880 2.040 . 0 0 "[ . 1 . 2]" 1
1070 1 56 ILE HA 1 59 LEU MD2 2.601 . 3.447 3.503 3.449 3.555 0.108 1 0 "[ . 1 . 2]" 1
1071 1 59 LEU MD2 1 98 VAL HB 2.331 . 3.010 2.721 2.467 3.044 0.034 4 0 "[ . 1 . 2]" 1
1072 1 59 LEU MD2 1 59 LEU HG 2.127 . 2.692 2.123 2.115 2.131 . 0 0 "[ . 1 . 2]" 1
1073 1 59 LEU HB2 1 59 LEU MD2 2.291 . 6.000 3.187 3.179 3.195 . 0 0 "[ . 1 . 2]" 1
1074 1 59 LEU HB3 1 59 LEU MD2 2.306 . 2.970 2.335 2.301 2.364 . 0 0 "[ . 1 . 2]" 1
1075 1 59 LEU H 1 59 LEU MD2 2.581 . 3.414 3.308 3.040 3.454 0.040 4 0 "[ . 1 . 2]" 1
1076 1 21 PRO HB3 1 21 PRO HG3 1.831 . 2.250 2.296 2.269 2.332 0.082 10 0 "[ . 1 . 2]" 1
1077 1 37 ASP HA 1 62 LEU MD1 2.281 . 2.931 1.868 1.762 2.074 . 0 0 "[ . 1 . 2]" 1
1078 1 35 THR HB 1 62 LEU MD1 2.638 . 3.508 3.380 3.242 3.529 0.021 17 0 "[ . 1 . 2]" 1
1079 1 37 ASP QB 1 62 LEU MD1 2.539 . 6.000 3.435 3.180 3.704 . 0 0 "[ . 1 . 2]" 1
1080 1 62 LEU MD1 1 62 LEU HG 2.065 . 2.598 2.110 2.106 2.115 . 0 0 "[ . 1 . 2]" 1
1081 1 62 LEU HB2 1 62 LEU MD1 2.209 . 6.000 3.152 3.137 3.169 . 0 0 "[ . 1 . 2]" 1
1082 1 65 LEU HA 1 96 VAL QG 2.950 . 4.038 3.646 3.231 3.964 . 0 0 "[ . 1 . 2]" 1
1083 1 62 LEU H 1 62 LEU MD1 2.579 . 3.410 3.416 3.337 3.482 0.072 4 0 "[ . 1 . 2]" 1
1084 1 37 ASP H 1 62 LEU MD1 2.803 . 3.785 3.590 3.315 3.856 0.071 2 0 "[ . 1 . 2]" 1
1085 1 24 CYS HA 1 24 CYS HB3 2.752 . 3.699 2.442 2.296 2.519 . 0 0 "[ . 1 . 2]" 1
1086 1 24 CYS HA 1 24 CYS HB2 2.756 . 3.705 3.007 2.653 3.029 . 0 0 "[ . 1 . 2]" 1
1087 1 28 PRO HD2 1 71 SER HA 2.936 . 6.000 4.706 3.956 5.368 . 0 0 "[ . 1 . 2]" 1
1088 1 27 GLY HA3 1 28 PRO HD2 2.831 . 3.832 2.507 2.118 3.432 . 0 0 "[ . 1 . 2]" 1
1089 1 48 LEU MD2 1 49 LEU HG 2.826 . 3.825 3.952 3.901 3.974 0.149 17 0 "[ . 1 . 2]" 1
1090 1 45 THR MG 1 49 LEU MD1 1.910 . 2.366 2.414 2.388 2.436 0.070 1 0 "[ . 1 . 2]" 1
1091 1 45 THR HB 1 45 THR MG 2.410 . 3.136 2.138 2.135 2.143 . 0 0 "[ . 1 . 2]" 1
1092 1 45 THR HA 1 45 THR MG 2.164 . 2.749 2.342 2.295 2.434 . 0 0 "[ . 1 . 2]" 1
1093 1 36 GLU QG 1 45 THR MG 2.573 . 3.400 2.791 2.112 3.132 . 0 0 "[ . 1 . 2]" 1
1094 1 45 THR MG 1 49 LEU HG 2.374 . 3.078 2.669 2.599 2.771 . 0 0 "[ . 1 . 2]" 1
1095 1 36 GLU HB3 1 45 THR MG 2.433 . 3.173 3.170 2.949 3.271 0.098 7 0 "[ . 1 . 2]" 1
1096 1 45 THR MG 1 46 THR H 2.788 . 3.760 3.525 3.360 3.648 . 0 0 "[ . 1 . 2]" 1
1097 1 45 THR MG 1 49 LEU H 2.850 . 3.865 3.900 3.865 3.959 0.094 7 0 "[ . 1 . 2]" 1
1098 1 59 LEU HA 1 59 LEU MD1 2.843 . 3.853 3.830 3.816 3.848 . 0 0 "[ . 1 . 2]" 1
1099 1 56 ILE H 1 59 LEU MD1 2.901 . 6.000 4.344 4.311 4.404 . 0 0 "[ . 1 . 2]" 1
1100 1 59 LEU H 1 59 LEU MD1 2.689 . 3.593 3.619 3.581 3.664 0.071 10 0 "[ . 1 . 2]" 1
1101 1 29 VAL HA 1 29 VAL HB 2.894 . 3.941 3.034 3.026 3.041 . 0 0 "[ . 1 . 2]" 1
1102 1 100 CYS HA 1 100 CYS HB2 2.922 . 3.989 3.013 2.950 3.023 . 0 0 "[ . 1 . 2]" 1
1103 1 100 CYS HA 1 100 CYS HB3 2.784 . 3.753 2.512 2.460 2.700 . 0 0 "[ . 1 . 2]" 1
1104 1 23 SER QB 1 103 ILE MD 2.682 . 3.581 3.419 2.986 3.557 . 0 0 "[ . 1 . 2]" 1
1105 1 103 ILE HB 1 103 ILE MD 2.093 . 2.641 2.473 2.409 2.539 . 0 0 "[ . 1 . 2]" 1
1106 1 22 LYS QB 1 103 ILE MD 2.494 . 3.272 2.831 2.012 3.328 0.056 8 0 "[ . 1 . 2]" 1
1107 1 103 ILE MD 1 103 ILE HG13 2.020 . 2.530 2.120 2.115 2.125 . 0 0 "[ . 1 . 2]" 1
1108 1 84 THR MG 1 103 ILE MD 2.506 . 6.000 4.041 3.618 4.548 . 0 0 "[ . 1 . 2]" 1
1109 1 29 VAL MG2 1 103 ILE MD 2.083 . 2.625 2.337 1.876 2.650 0.025 12 0 "[ . 1 . 2]" 1
1110 1 69 PRO HB2 1 69 PRO HG2 2.314 . 2.983 2.305 2.285 2.318 . 0 0 "[ . 1 . 2]" 1
1111 1 69 PRO HD3 1 69 PRO HG2 2.543 . 3.352 2.677 2.670 2.683 . 0 0 "[ . 1 . 2]" 1
1112 1 69 PRO HD2 1 69 PRO HG2 2.416 . 3.145 2.322 2.317 2.328 . 0 0 "[ . 1 . 2]" 1
1113 1 23 SER HA 1 23 SER QB 2.122 . 2.685 2.268 2.169 2.397 . 0 0 "[ . 1 . 2]" 1
1114 1 23 SER HA 1 29 VAL MG2 2.455 . 3.208 2.612 2.200 3.142 . 0 0 "[ . 1 . 2]" 1
1115 1 23 SER HA 1 103 ILE MD 2.656 . 3.538 2.146 1.820 2.643 . 0 0 "[ . 1 . 2]" 1
1116 1 41 LEU QD 1 63 VAL MG1 1.902 . 2.354 1.739 1.677 1.832 . 0 0 "[ . 1 . 2]" 1
1117 1 38 SER HA 1 63 VAL MG1 2.419 . 3.150 2.411 2.112 2.608 . 0 0 "[ . 1 . 2]" 1
1118 1 63 VAL H 1 63 VAL MG1 2.545 . 3.355 2.205 2.101 2.320 . 0 0 "[ . 1 . 2]" 1
1119 1 63 VAL MG1 1 98 VAL HA 2.958 . 4.052 3.368 3.098 3.701 . 0 0 "[ . 1 . 2]" 1
1120 1 21 PRO HB3 1 21 PRO HD3 2.690 . 6.000 3.694 2.883 4.032 . 0 0 "[ . 1 . 2]" 1
1121 1 21 PRO HB2 1 21 PRO HD3 2.428 . 6.000 3.933 3.853 4.015 . 0 0 "[ . 1 . 2]" 1
1122 1 21 PRO HD3 1 21 PRO HG3 2.033 . 2.550 2.305 2.267 2.320 . 0 0 "[ . 1 . 2]" 1
1123 1 48 LEU HB2 1 49 LEU MD2 2.761 . 3.714 3.355 3.198 3.430 . 0 0 "[ . 1 . 2]" 1
1124 1 60 LYS HA 1 60 LYS QG 2.394 . 3.110 2.482 2.349 3.005 . 0 0 "[ . 1 . 2]" 1
1125 1 60 LYS HA 1 60 LYS HB2 2.273 . 2.919 3.007 2.981 3.023 0.104 12 0 "[ . 1 . 2]" 1
1126 1 21 PRO HB2 1 21 PRO HD2 2.396 . 3.114 3.346 2.971 4.061 0.947 10 6 "[ * *. * + -* 2]" 1
1127 1 21 PRO HB3 1 21 PRO HD2 2.523 . 6.000 3.876 3.848 3.977 . 0 0 "[ . 1 . 2]" 1
1128 1 89 ASN HA 1 89 ASN HB2 2.497 . 3.276 3.018 2.973 3.032 . 0 0 "[ . 1 . 2]" 1
1129 1 89 ASN HA 1 89 ASN HB3 2.373 . 3.077 2.571 2.502 2.689 . 0 0 "[ . 1 . 2]" 1
1130 1 52 LEU HA 1 54 ILE MD 2.864 . 6.000 4.753 4.552 4.910 . 0 0 "[ . 1 . 2]" 1
1131 1 49 LEU HA 1 54 ILE MD 2.358 . 3.053 1.904 1.828 1.954 . 0 0 "[ . 1 . 2]" 1
1132 1 54 ILE MD 1 91 TYR QB 2.918 . 3.982 2.890 2.524 3.238 . 0 0 "[ . 1 . 2]" 1
1133 1 52 LEU HG 1 54 ILE MD 2.437 . 6.000 4.080 3.947 4.215 . 0 0 "[ . 1 . 2]" 1
1134 1 54 ILE MD 1 96 VAL HB 2.424 . 6.000 3.509 3.124 4.144 . 0 0 "[ . 1 . 2]" 1
1135 1 52 LEU HB2 1 54 ILE MD 2.027 . 2.540 2.253 2.123 2.394 . 0 0 "[ . 1 . 2]" 1
1136 1 54 ILE HB 1 54 ILE MD 2.103 . 2.656 2.315 2.297 2.329 . 0 0 "[ . 1 . 2]" 1
1137 1 54 ILE MD 1 54 ILE HG13 1.984 . 2.476 2.108 2.105 2.113 . 0 0 "[ . 1 . 2]" 1
1138 1 54 ILE MD 1 98 VAL MG1 2.097 . 6.000 2.785 2.430 3.090 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ILE MD 1 54 ILE MG 1.714 . 2.081 2.076 2.047 2.096 0.015 5 0 "[ . 1 . 2]" 1
1140 1 54 ILE MD 1 54 ILE HG12 1.921 . 2.382 2.110 2.104 2.115 . 0 0 "[ . 1 . 2]" 1
1141 1 54 ILE H 1 54 ILE MD 2.454 . 3.207 3.323 3.266 3.352 0.145 18 0 "[ . 1 . 2]" 1
1142 1 52 LEU H 1 54 ILE MD 2.875 . 3.908 3.910 3.827 3.940 0.032 4 0 "[ . 1 . 2]" 1
1143 1 54 ILE MD 1 91 TYR QD 2.577 . 3.407 2.757 2.351 2.969 . 0 0 "[ . 1 . 2]" 1
1144 1 54 ILE MD 1 91 TYR QE 2.673 . 3.566 3.204 3.045 3.561 . 0 0 "[ . 1 . 2]" 1
1145 1 46 THR HA 1 46 THR HB 2.847 . 3.860 3.027 3.023 3.029 . 0 0 "[ . 1 . 2]" 1
1146 1 43 LYS QB 1 43 LYS HG2 2.158 . 2.740 2.309 2.148 2.458 . 0 0 "[ . 1 . 2]" 1
1147 1 69 PRO HA 1 69 PRO HB3 2.798 . 3.777 2.274 2.263 2.288 . 0 0 "[ . 1 . 2]" 1
1148 1 69 PRO HB3 1 69 PRO HD2 2.768 . 3.726 3.885 3.874 3.898 0.172 5 0 "[ . 1 . 2]" 1
1149 1 62 LEU MD2 1 62 LEU HG 2.243 . 2.872 2.120 2.116 2.124 . 0 0 "[ . 1 . 2]" 1
1150 1 62 LEU HB3 1 62 LEU MD2 2.454 . 3.207 3.104 3.085 3.141 . 0 0 "[ . 1 . 2]" 1
1151 1 62 LEU HB2 1 62 LEU MD2 2.482 . 3.252 2.138 2.110 2.209 . 0 0 "[ . 1 . 2]" 1
1152 1 95 LEU HA 1 95 LEU HB3 2.378 . 3.085 2.399 2.385 2.426 . 0 0 "[ . 1 . 2]" 1
1153 1 95 LEU HA 1 95 LEU HB2 2.563 . 3.384 3.010 3.007 3.015 . 0 0 "[ . 1 . 2]" 1
1154 1 66 ASN H 1 95 LEU HA 2.900 . 6.000 1.869 1.731 1.995 0.069 17 0 "[ . 1 . 2]" 1
1155 1 95 LEU HA 1 96 VAL H 2.868 . 3.896 3.525 3.497 3.559 . 0 0 "[ . 1 . 2]" 1
1156 1 36 GLU HB3 1 36 GLU QG 2.577 . 3.289 2.195 2.158 2.316 . 0 0 "[ . 1 . 2]" 1
1157 1 36 GLU QG 1 63 VAL MG2 2.881 . 3.578 3.257 3.077 3.352 . 0 0 "[ . 1 . 2]" 1
1158 1 36 GLU QG 1 41 LEU QD . . 2.938 2.044 1.789 2.678 0.081 20 0 "[ . 1 . 2]" 1
1159 1 41 LEU QD 1 45 THR HB 2.906 . 3.962 3.100 2.530 3.294 . 0 0 "[ . 1 . 2]" 1
1160 1 45 THR HB 1 46 THR H 2.964 . 4.062 2.499 2.431 2.602 . 0 0 "[ . 1 . 2]" 1
1161 1 33 ASN HA 1 33 ASN QB 2.338 . 2.974 2.381 2.294 2.445 . 0 0 "[ . 1 . 2]" 1
1162 1 33 ASN HA 1 82 ALA MB 2.096 . 2.645 1.926 1.796 2.318 . 0 0 "[ . 1 . 2]" 1
1163 1 54 ILE HB 1 54 ILE HG13 2.641 . 3.513 2.575 2.567 2.585 . 0 0 "[ . 1 . 2]" 1
1164 1 41 LEU HB2 1 42 ASP HB2 2.852 . 6.000 6.050 5.844 6.219 0.219 15 0 "[ . 1 . 2]" 1
1165 1 85 VAL HB 1 100 CYS HB2 2.984 . 4.097 3.811 3.641 3.936 . 0 0 "[ . 1 . 2]" 1
1166 1 92 GLN HB2 1 92 GLN HG3 2.115 . 2.674 2.312 2.224 2.352 . 0 0 "[ . 1 . 2]" 1
1167 1 92 GLN HG3 1 95 LEU HB2 2.704 . 3.618 2.944 2.765 3.086 . 0 0 "[ . 1 . 2]" 1
1168 1 92 GLN HG3 1 95 LEU MD1 2.329 . 3.007 2.988 2.750 3.073 0.066 1 0 "[ . 1 . 2]" 1
1169 1 92 GLN HA 1 92 GLN HG3 2.727 . 3.657 3.666 3.639 3.687 0.030 14 0 "[ . 1 . 2]" 1
1170 1 36 GLU HB3 1 63 VAL HB 2.854 . 6.000 4.702 4.563 4.829 . 0 0 "[ . 1 . 2]" 1
1171 1 52 LEU HB2 1 54 ILE HG12 2.871 . 3.901 3.791 3.655 3.922 0.021 14 0 "[ . 1 . 2]" 1
1172 1 28 PRO HD3 1 28 PRO QG 2.739 . 3.677 2.186 2.161 2.236 . 0 0 "[ . 1 . 2]" 1
1173 1 28 PRO HD3 1 71 SER HA 2.879 . 3.915 4.122 3.956 4.671 0.756 3 4 "[ -+ . 1 *. * 2]" 1
1174 1 27 GLY HA3 1 28 PRO HD3 2.961 . 4.057 2.745 2.019 3.813 . 0 0 "[ . 1 . 2]" 1
1175 1 65 LEU HB3 1 65 LEU MD1 2.259 . 2.897 2.507 2.450 2.532 . 0 0 "[ . 1 . 2]" 1
1176 1 82 ALA MB 1 83 GLN HG3 2.955 . 6.000 5.425 5.213 5.705 . 0 0 "[ . 1 . 2]" 1
1177 1 83 GLN H 1 83 GLN HG3 2.651 . 6.000 4.290 4.198 4.546 . 0 0 "[ . 1 . 2]" 1
1178 1 49 LEU MD1 1 56 ILE HG12 2.470 . 3.233 2.978 2.828 3.233 . 0 0 "[ . 1 . 2]" 1
1179 1 55 LYS HA 1 55 LYS HB2 2.121 . 2.683 2.669 2.516 3.023 0.340 1 0 "[ . 1 . 2]" 1
1180 1 32 CYS HB3 1 34 LYS H 2.868 . 3.896 2.648 2.363 2.971 . 0 0 "[ . 1 . 2]" 1
1181 1 97 ASN HA 1 98 VAL MG1 2.776 . 3.740 3.608 3.536 3.712 . 0 0 "[ . 1 . 2]" 1
1182 1 96 VAL QG 1 97 ASN HA 2.970 . 6.000 4.034 3.237 4.281 . 0 0 "[ . 1 . 2]" 1
1183 1 91 TYR QD 1 97 ASN HA 2.935 . 4.012 3.606 3.101 4.003 . 0 0 "[ . 1 . 2]" 1
1184 1 52 LEU HB2 1 52 LEU HG 2.408 . 3.133 2.675 2.630 2.707 . 0 0 "[ . 1 . 2]" 1
1185 1 29 VAL MG1 1 29 VAL MG2 1.835 . 2.256 2.071 2.052 2.083 . 0 0 "[ . 1 . 2]" 1
1186 1 29 VAL HA 1 29 VAL MG2 2.266 . 2.908 2.369 2.320 2.457 . 0 0 "[ . 1 . 2]" 1
1187 1 29 VAL HB 1 29 VAL MG2 2.034 . 2.551 2.123 2.117 2.126 . 0 0 "[ . 1 . 2]" 1
1188 1 70 LEU HA 1 70 LEU HB2 2.519 . 3.312 3.010 3.000 3.018 . 0 0 "[ . 1 . 2]" 1
1189 1 70 LEU HA 1 70 LEU QD 2.139 . 2.711 2.280 2.145 2.491 . 0 0 "[ . 1 . 2]" 1
1190 1 69 PRO HB2 1 69 PRO HD3 2.823 . 6.000 3.917 3.888 3.962 . 0 0 "[ . 1 . 2]" 1
1191 1 39 LYS HA 1 39 LYS QD 2.302 . 2.965 2.454 1.971 3.084 0.119 1 0 "[ . 1 . 2]" 1
1192 1 39 LYS H 1 39 LYS QD 2.756 . 3.706 2.785 1.708 3.603 0.098 12 0 "[ . 1 . 2]" 1
1193 1 56 ILE HA 1 59 LEU HG 2.317 . 2.988 2.090 2.008 2.176 . 0 0 "[ . 1 . 2]" 1
1194 1 56 ILE HA 1 56 ILE HB 2.302 . 2.964 3.013 3.007 3.021 0.057 12 0 "[ . 1 . 2]" 1
1195 1 56 ILE HA 1 56 ILE HG12 2.606 . 6.000 3.647 3.632 3.671 . 0 0 "[ . 1 . 2]" 1
1196 1 56 ILE HA 1 56 ILE HG13 2.583 . 3.417 2.405 2.382 2.438 . 0 0 "[ . 1 . 2]" 1
1197 1 56 ILE HA 1 59 LEU MD1 2.134 . 2.703 2.055 2.016 2.098 . 0 0 "[ . 1 . 2]" 1
1198 1 105 ILE HA 1 105 ILE MD 2.614 . 3.468 3.560 3.508 3.655 0.187 4 0 "[ . 1 . 2]" 1
1199 1 105 ILE MD 1 106 GLY HA2 2.850 . 3.865 3.643 3.103 4.149 0.284 4 0 "[ . 1 . 2]" 1
1200 1 105 ILE HB 1 105 ILE MD 2.111 . 2.668 2.420 2.242 2.501 . 0 0 "[ . 1 . 2]" 1
1201 1 105 ILE MD 1 105 ILE QG 1.935 . 2.322 1.881 1.878 1.886 . 0 0 "[ . 1 . 2]" 1
1202 1 95 LEU HB2 1 95 LEU MD1 2.487 . 3.260 2.411 2.327 2.454 . 0 0 "[ . 1 . 2]" 1
1203 1 95 LEU HB2 1 96 VAL H 2.894 . 3.941 2.580 2.403 2.680 . 0 0 "[ . 1 . 2]" 1
1204 1 92 GLN HB3 1 95 LEU HB3 2.827 . 3.826 3.573 3.406 3.780 . 0 0 "[ . 1 . 2]" 1
1205 1 95 LEU HA 1 95 LEU MD2 2.087 . 2.631 2.149 2.091 2.206 . 0 0 "[ . 1 . 2]" 1
1206 1 66 ASN QB 1 95 LEU MD2 2.813 . 3.802 3.607 3.333 3.754 . 0 0 "[ . 1 . 2]" 1
1207 1 92 GLN HB3 1 95 LEU MD2 2.350 . 6.000 3.673 3.591 3.767 . 0 0 "[ . 1 . 2]" 1
1208 1 95 LEU HB3 1 95 LEU MD2 2.060 . 2.590 2.493 2.408 2.533 . 0 0 "[ . 1 . 2]" 1
1209 1 95 LEU MD2 1 95 LEU HG 1.959 . 2.439 2.111 2.104 2.118 . 0 0 "[ . 1 . 2]" 1
1210 1 95 LEU H 1 95 LEU MD2 2.633 . 3.500 2.539 2.397 2.761 . 0 0 "[ . 1 . 2]" 1
1211 1 39 LYS HB2 1 39 LYS HG3 1.877 . 2.317 2.622 2.368 2.976 0.659 2 8 "[*+ *.- * ** . *]" 1
1212 1 23 SER QB 1 29 VAL MG2 2.498 . 3.278 2.548 1.844 3.184 . 0 0 "[ . 1 . 2]" 1
1213 1 23 SER QB 1 29 VAL MG1 2.735 . 6.000 4.665 3.898 5.459 . 0 0 "[ . 1 . 2]" 1
1214 1 29 VAL HB 1 70 LEU HB2 2.717 . 3.640 2.201 1.990 2.525 . 0 0 "[ . 1 . 2]" 1
1215 1 105 ILE HB 1 105 ILE MG 1.951 . 2.427 2.122 2.118 2.126 . 0 0 "[ . 1 . 2]" 1
1216 1 56 ILE HB 1 56 ILE HG12 2.191 . 2.791 2.489 2.482 2.495 . 0 0 "[ . 1 . 2]" 1
1217 1 71 SER QB 1 72 VAL QG 2.653 . 3.533 2.960 2.549 3.376 . 0 0 "[ . 1 . 2]" 1
1218 1 28 PRO QG 1 71 SER QB 2.593 . 3.434 2.681 1.994 3.309 . 0 0 "[ . 1 . 2]" 1
1219 1 93 HIS HA 1 94 GLY H 2.825 . 3.822 3.232 3.149 3.298 . 0 0 "[ . 1 . 2]" 1
1220 1 68 SER HA 1 69 PRO HD3 2.318 . 2.990 1.910 1.826 2.035 . 0 0 "[ . 1 . 2]" 1
1221 1 68 SER HA 1 68 SER HB2 2.355 . 3.048 2.824 2.481 3.031 . 0 0 "[ . 1 . 2]" 1
1222 1 68 SER HA 1 68 SER HB3 2.191 . 2.791 2.607 2.361 3.033 0.242 3 0 "[ . 1 . 2]" 1
1223 1 85 VAL MG2 1 100 CYS HB2 2.472 . 3.236 3.270 3.235 3.320 0.084 1 0 "[ . 1 . 2]" 1
1224 1 85 VAL MG2 1 100 CYS HB3 2.530 . 3.330 2.079 1.979 2.396 . 0 0 "[ . 1 . 2]" 1
1225 1 83 GLN HG3 1 85 VAL MG2 2.824 . 3.821 3.773 3.580 3.991 0.170 1 0 "[ . 1 . 2]" 1
1226 1 85 VAL HB 1 85 VAL MG2 2.401 . 3.122 2.126 2.116 2.129 . 0 0 "[ . 1 . 2]" 1
1227 1 84 THR HA 1 85 VAL MG2 2.753 . 3.700 3.494 3.359 3.586 . 0 0 "[ . 1 . 2]" 1
1228 1 85 VAL HA 1 85 VAL MG2 2.851 . 3.867 3.190 3.164 3.200 . 0 0 "[ . 1 . 2]" 1
1229 1 88 THR HA 1 88 THR MG 2.183 . 6.000 3.221 3.214 3.228 . 0 0 "[ . 1 . 2]" 1
1230 1 49 LEU MD1 1 56 ILE HG13 2.485 . 3.257 2.151 1.976 2.348 . 0 0 "[ . 1 . 2]" 1
1231 1 56 ILE HB 1 56 ILE HG13 2.419 . 3.150 3.022 3.019 3.025 . 0 0 "[ . 1 . 2]" 1
1232 1 103 ILE HA 1 103 ILE HB 2.389 . 3.102 2.406 2.345 2.470 . 0 0 "[ . 1 . 2]" 1
1233 1 103 ILE HA 1 103 ILE HG13 2.501 . 3.283 2.583 2.461 2.687 . 0 0 "[ . 1 . 2]" 1
1234 1 103 ILE HA 1 103 ILE MD 2.429 . 6.000 3.856 3.794 3.909 . 0 0 "[ . 1 . 2]" 1
1235 1 72 VAL HA 1 72 VAL HB 2.277 . 2.925 2.545 2.487 2.989 0.064 11 0 "[ . 1 . 2]" 1
1236 1 72 VAL HA 1 72 VAL QG 1.994 . 2.491 2.221 2.137 2.261 . 0 0 "[ . 1 . 2]" 1
1237 1 30 TYR HB3 1 30 TYR QD 2.841 . 3.850 2.403 2.338 2.479 . 0 0 "[ . 1 . 2]" 1
1238 1 34 LYS HA 1 34 LYS QB 2.322 . 2.996 2.479 2.355 2.550 . 0 0 "[ . 1 . 2]" 1
1239 1 34 LYS HA 1 34 LYS HG3 2.501 . 3.283 3.516 2.742 3.795 0.512 10 1 "[ . + . 2]" 1
1240 1 36 GLU HB3 1 41 LEU QD 2.338 . 3.021 2.289 1.866 2.575 . 0 0 "[ . 1 . 2]" 1
1241 1 41 LEU QD 1 45 THR MG 2.068 . 2.603 2.433 1.987 2.607 0.004 14 0 "[ . 1 . 2]" 1
1242 1 55 LYS HE3 1 55 LYS HG2 2.703 . 3.616 3.159 2.402 4.231 0.615 20 1 "[ . 1 . +]" 1
1243 1 55 LYS HB2 1 55 LYS HG2 2.091 . 2.637 2.568 2.378 2.650 0.013 13 0 "[ . 1 . 2]" 1
1244 1 55 LYS HD3 1 55 LYS HG2 1.941 . 2.412 2.456 2.371 2.988 0.576 3 1 "[ + . 1 . 2]" 1
1245 1 26 SER HA 1 26 SER HB2 2.113 . 2.671 2.639 2.468 3.029 0.358 12 0 "[ . 1 . 2]" 1
1246 1 85 VAL HB 1 100 CYS HB3 2.796 . 3.773 2.152 1.961 2.312 . 0 0 "[ . 1 . 2]" 1
1247 1 62 LEU HB3 1 100 CYS HB3 2.992 . 4.111 4.165 4.088 4.189 0.078 5 0 "[ . 1 . 2]" 1
1248 1 62 LEU MD2 1 100 CYS HB3 2.787 . 3.758 3.886 3.781 3.940 0.182 13 0 "[ . 1 . 2]" 1
1249 1 35 THR HB 1 62 LEU HB3 2.920 . 3.986 2.001 1.883 2.150 . 0 0 "[ . 1 . 2]" 1
1250 1 35 THR HB 1 62 LEU MD2 2.352 . 6.000 3.692 3.313 3.925 . 0 0 "[ . 1 . 2]" 1
1251 1 35 THR HB 1 62 LEU HB2 2.788 . 3.760 3.143 2.892 3.292 . 0 0 "[ . 1 . 2]" 1
1252 1 101 THR HB 1 102 PRO HD2 2.452 . 3.204 3.158 2.878 3.236 0.032 7 0 "[ . 1 . 2]" 1
1253 1 101 THR HB 1 101 THR MG 2.099 . 2.650 2.132 2.128 2.135 . 0 0 "[ . 1 . 2]" 1
1254 1 101 THR HA 1 101 THR HB 2.628 . 3.491 2.553 2.501 2.651 . 0 0 "[ . 1 . 2]" 1
1255 1 30 TYR HA 1 69 PRO HA 2.536 . 3.340 2.574 2.250 2.719 . 0 0 "[ . 1 . 2]" 1
1256 1 30 TYR HA 1 70 LEU QD 2.646 . 3.521 3.235 1.952 3.419 . 0 0 "[ . 1 . 2]" 1
1257 1 35 THR HB 1 35 THR MG 2.213 . 2.825 2.123 2.119 2.129 . 0 0 "[ . 1 . 2]" 1
1258 1 38 SER HA 1 63 VAL MG2 2.828 . 6.000 4.332 3.984 4.645 . 0 0 "[ . 1 . 2]" 1
1259 1 35 THR MG 1 64 GLY HA2 2.643 . 3.516 3.036 2.781 3.383 . 0 0 "[ . 1 . 2]" 1
1260 1 32 CYS HB3 1 35 THR MG 2.554 . 3.370 3.191 2.997 3.383 0.013 19 0 "[ . 1 . 2]" 1
1261 1 35 THR MG 1 100 CYS HB2 2.813 . 3.802 3.065 2.641 3.346 . 0 0 "[ . 1 . 2]" 1
1262 1 32 CYS HB2 1 35 THR MG 2.261 . 2.900 2.325 2.226 2.466 . 0 0 "[ . 1 . 2]" 1
1263 1 63 VAL HB 1 63 VAL MG2 2.072 . 2.609 2.113 2.097 2.129 . 0 0 "[ . 1 . 2]" 1
1264 1 36 GLU H 1 63 VAL MG2 2.512 . 3.301 2.865 2.469 3.172 . 0 0 "[ . 1 . 2]" 1
1265 1 63 VAL MG2 1 65 LEU H 2.739 . 6.000 3.981 3.671 4.192 . 0 0 "[ . 1 . 2]" 1
1266 1 35 THR MG 1 85 VAL HA 2.970 . 6.000 4.833 4.712 4.929 . 0 0 "[ . 1 . 2]" 1
1267 1 35 THR MG 1 64 GLY HA3 2.629 . 3.493 3.121 2.819 3.507 0.014 9 0 "[ . 1 . 2]" 1
1268 1 101 THR HA 1 102 PRO HD2 2.185 . 2.782 2.473 2.298 2.956 0.174 4 0 "[ . 1 . 2]" 1
1269 1 101 THR HA 1 102 PRO HG2 2.813 . 6.000 4.387 4.347 4.423 . 0 0 "[ . 1 . 2]" 1
1270 1 101 THR HA 1 102 PRO HG3 2.689 . 6.000 4.172 3.803 4.293 . 0 0 "[ . 1 . 2]" 1
1271 1 101 THR HA 1 101 THR MG 2.322 . 2.996 2.274 2.210 2.332 . 0 0 "[ . 1 . 2]" 1
1272 1 62 LEU MD2 1 101 THR HA 2.543 . 3.351 2.828 2.601 3.023 . 0 0 "[ . 1 . 2]" 1
1273 1 101 THR H 1 101 THR HA 2.850 . 3.865 2.945 2.941 2.950 . 0 0 "[ . 1 . 2]" 1
1274 1 67 CYS HA 1 67 CYS HB2 2.793 . 3.768 2.833 2.517 3.027 . 0 0 "[ . 1 . 2]" 1
1275 1 67 CYS HA 1 67 CYS HB3 2.767 . 3.724 2.658 2.366 3.025 . 0 0 "[ . 1 . 2]" 1
1276 1 32 CYS HA 1 67 CYS HA 2.441 . 3.186 2.106 1.946 2.291 . 0 0 "[ . 1 . 2]" 1
1277 1 59 LEU HA 1 59 LEU HB2 2.989 . 4.106 3.013 3.010 3.017 . 0 0 "[ . 1 . 2]" 1
1278 1 38 SER HB3 1 59 LEU HB2 2.990 . 4.108 3.190 1.996 4.334 0.226 3 0 "[ . 1 . 2]" 1
1279 1 92 GLN HA 1 92 GLN HB3 2.255 . 2.891 2.599 2.567 2.635 . 0 0 "[ . 1 . 2]" 1
1280 1 92 GLN HA 1 92 GLN HB2 2.551 . 3.364 2.994 2.983 3.004 . 0 0 "[ . 1 . 2]" 1
1281 1 92 GLN HA 1 93 HIS HD2 2.892 . 3.937 3.340 2.939 4.023 0.086 7 0 "[ . 1 . 2]" 1
1282 1 73 ILE MG 1 74 GLY HA3 3.080 2.248 3.912 3.821 3.315 4.057 0.145 10 0 "[ . 1 . 2]" 1
1283 1 95 LEU HA 1 95 LEU MD1 2.715 . 6.000 3.791 3.739 3.853 . 0 0 "[ . 1 . 2]" 1
1284 1 92 GLN HB3 1 95 LEU MD1 2.294 . 2.952 2.169 1.808 2.422 . 0 0 "[ . 1 . 2]" 1
1285 1 95 LEU HB3 1 95 LEU MD1 2.203 . 2.810 2.282 2.254 2.322 . 0 0 "[ . 1 . 2]" 1
1286 1 95 LEU MD1 1 95 LEU HG 2.149 . 2.727 2.115 2.110 2.120 . 0 0 "[ . 1 . 2]" 1
1287 1 32 CYS HA 1 32 CYS HB3 2.586 . 3.422 2.440 2.400 2.482 . 0 0 "[ . 1 . 2]" 1
1288 1 32 CYS HA 1 34 LYS H 2.920 . 3.986 3.639 3.521 3.869 . 0 0 "[ . 1 . 2]" 1
1289 1 33 ASN QB 1 34 LYS QB 2.886 . 3.927 3.432 3.197 3.764 . 0 0 "[ . 1 . 2]" 1
1290 1 107 LEU HB2 1 107 LEU QD 2.165 . 2.751 2.128 2.096 2.212 . 0 0 "[ . 1 . 2]" 1
1291 1 107 LEU HA 1 107 LEU HB2 2.476 . 3.243 2.708 2.308 3.024 . 0 0 "[ . 1 . 2]" 1
1292 1 107 LEU H 1 107 LEU HB2 2.388 . 3.101 3.152 2.382 3.772 0.671 8 9 "[* -* + 1 * * ***]" 1
1293 1 52 LEU HB2 1 53 ASN HA 2.663 . 6.000 5.229 5.104 5.380 . 0 0 "[ . 1 . 2]" 1
1294 1 53 ASN HA 1 53 ASN HB3 2.239 . 2.866 2.686 2.416 3.007 0.141 18 0 "[ . 1 . 2]" 1
1295 1 53 ASN HA 1 53 ASN HB2 2.309 . 2.975 2.810 2.452 3.014 0.039 5 0 "[ . 1 . 2]" 1
1296 1 53 ASN H 1 53 ASN HA 1.980 . 2.470 2.261 2.241 2.270 . 0 0 "[ . 1 . 2]" 1
1297 1 52 LEU H 1 53 ASN HA 2.562 . 6.000 4.624 4.369 4.703 . 0 0 "[ . 1 . 2]" 1
1298 1 65 LEU HA 1 65 LEU HB3 2.416 . 3.145 2.487 2.434 2.549 . 0 0 "[ . 1 . 2]" 1
1299 1 65 LEU HA 1 66 ASN H 2.483 . 3.253 2.099 2.055 2.144 . 0 0 "[ . 1 . 2]" 1
1300 1 43 LYS QB 1 47 ALA MB 2.689 . 6.000 4.115 3.863 4.389 . 0 0 "[ . 1 . 2]" 1
1301 1 47 ALA MB 1 51 LEU HG 2.397 . 6.000 3.693 3.524 3.866 . 0 0 "[ . 1 . 2]" 1
1302 1 47 ALA MB 1 48 LEU HB2 2.766 . 6.000 4.558 4.534 4.583 . 0 0 "[ . 1 . 2]" 1
1303 1 69 PRO HB2 1 69 PRO HD2 2.796 . 6.000 2.997 2.957 3.082 . 0 0 "[ . 1 . 2]" 1
1304 1 35 THR HA 1 35 THR HB 2.445 . 3.193 2.532 2.499 2.606 . 0 0 "[ . 1 . 2]" 1
1305 1 35 THR HA 1 35 THR MG 2.244 . 2.873 2.198 2.121 2.255 . 0 0 "[ . 1 . 2]" 1
1306 1 54 ILE HA 1 55 LYS HB2 2.644 . 6.000 5.360 4.325 5.691 . 0 0 "[ . 1 . 2]" 1
1307 1 54 ILE HA 1 54 ILE HG13 2.528 . 3.327 2.800 2.780 2.826 . 0 0 "[ . 1 . 2]" 1
1308 1 54 ILE HA 1 54 ILE HG12 2.560 . 3.379 2.675 2.649 2.705 . 0 0 "[ . 1 . 2]" 1
1309 1 54 ILE H 1 54 ILE HA 2.553 . 3.368 2.887 2.872 2.909 . 0 0 "[ . 1 . 2]" 1
1310 1 104 ASN HA 1 104 ASN HB2 2.495 . 3.273 2.784 2.431 3.033 . 0 0 "[ . 1 . 2]" 1
1311 1 104 ASN HA 1 104 ASN HB3 2.405 . 3.128 2.573 2.316 3.028 . 0 0 "[ . 1 . 2]" 1
1312 1 104 ASN HA 1 105 ILE QG 2.945 . 4.029 3.596 3.461 3.815 . 0 0 "[ . 1 . 2]" 1
1313 1 19 THR HB 1 20 PRO HD2 3.225 2.297 4.153 4.180 3.955 4.419 0.266 13 0 "[ . 1 . 2]" 1
1314 1 19 THR HB 1 19 THR MG 2.403 . 3.125 2.133 2.123 2.141 . 0 0 "[ . 1 . 2]" 1
1315 1 48 LEU HA 1 48 LEU MD2 2.089 . 6.000 3.678 3.657 3.709 . 0 0 "[ . 1 . 2]" 1
1316 1 49 LEU HB2 1 50 GLY HA2 2.952 . 4.042 4.147 4.119 4.171 0.129 17 0 "[ . 1 . 2]" 1
1317 1 59 LEU HA 1 99 GLY HA3 2.773 . 6.000 5.894 5.062 6.536 0.536 4 1 "[ +. 1 . 2]" 1
1318 1 66 ASN HA 1 95 LEU HA 2.605 . 3.453 2.334 2.055 2.545 . 0 0 "[ . 1 . 2]" 1
1319 1 64 GLY HA2 1 97 ASN QB 3.029 . 4.176 3.932 3.653 4.182 0.006 13 0 "[ . 1 . 2]" 1
1320 1 85 VAL MG1 1 102 PRO HA 2.780 . 3.746 1.798 1.778 1.817 0.036 10 0 "[ . 1 . 2]" 1
1321 1 59 LEU HB2 1 60 LYS H 3.066 . 4.241 3.919 3.584 4.185 . 0 0 "[ . 1 . 2]" 1
1322 1 32 CYS H 1 82 ALA MB 3.027 . 4.173 3.794 3.549 4.057 . 0 0 "[ . 1 . 2]" 1
1323 1 69 PRO HA 1 70 LEU QD 2.947 . 4.033 3.831 2.792 3.992 . 0 0 "[ . 1 . 2]" 1
1324 1 38 SER HB3 1 59 LEU MD2 2.829 . 3.829 3.968 3.548 4.360 0.531 8 1 "[ . + 1 . 2]" 1
1325 1 62 LEU HB3 1 100 CYS HB2 2.943 . 4.026 2.889 2.757 3.380 . 0 0 "[ . 1 . 2]" 1
1326 1 30 TYR HA 1 30 TYR QD 2.975 . 4.081 2.937 2.754 3.115 . 0 0 "[ . 1 . 2]" 1
1327 1 36 GLU HB2 1 63 VAL MG2 2.440 . 3.184 2.734 1.986 3.191 0.007 3 0 "[ . 1 . 2]" 1
1328 1 31 CYS QB 1 70 LEU HG 2.986 . 4.101 3.093 2.796 3.708 . 0 0 "[ . 1 . 2]" 1
1329 1 30 TYR QD 1 69 PRO HA 3.046 . 4.205 2.466 2.145 2.918 . 0 0 "[ . 1 . 2]" 1
1330 1 59 LEU MD2 1 99 GLY H 2.958 . 4.052 3.447 2.757 3.768 . 0 0 "[ . 1 . 2]" 1
1331 1 34 LYS HA 1 34 LYS QD 2.700 . 3.611 2.488 1.964 3.417 . 0 0 "[ . 1 . 2]" 1
1332 1 66 ASN H 1 66 ASN QB 3.047 . 4.207 3.123 2.805 3.366 . 0 0 "[ . 1 . 2]" 1
1333 1 91 TYR QB 1 91 TYR QD 2.491 . 3.266 2.135 2.131 2.138 . 0 0 "[ . 1 . 2]" 1
1334 1 88 THR MG 1 98 VAL MG1 2.985 . 4.099 4.141 4.060 4.200 0.101 8 0 "[ . 1 . 2]" 1
1335 1 29 VAL MG1 1 70 LEU H 3.077 . 4.261 4.336 4.270 4.388 0.127 12 0 "[ . 1 . 2]" 1
1336 1 58 ASP HA 1 58 ASP HB3 2.962 . 4.058 3.024 3.018 3.030 . 0 0 "[ . 1 . 2]" 1
1337 1 36 GLU HA 1 36 GLU HB3 2.664 . 3.551 2.990 2.883 3.029 . 0 0 "[ . 1 . 2]" 1
1338 1 65 LEU H 1 65 LEU HB3 3.057 . 4.225 2.893 2.693 3.059 . 0 0 "[ . 1 . 2]" 1
1339 1 103 ILE HA 1 103 ILE HG12 2.638 . 3.508 3.124 3.033 3.297 . 0 0 "[ . 1 . 2]" 1
1340 1 29 VAL MG1 1 85 VAL H 2.634 . 3.501 3.266 3.146 3.507 0.006 2 0 "[ . 1 . 2]" 1
1341 1 90 THR HA 1 90 THR MG 2.790 . 3.763 3.216 3.206 3.223 . 0 0 "[ . 1 . 2]" 1
1342 1 31 CYS HA 1 85 VAL H 3.022 . 4.163 3.149 2.947 3.432 . 0 0 "[ . 1 . 2]" 1
1343 1 30 TYR H 1 30 TYR HA 2.808 . 3.794 2.939 2.931 2.945 . 0 0 "[ . 1 . 2]" 1
1344 1 70 LEU H 1 70 LEU HA 2.932 . 4.006 2.933 2.913 2.949 . 0 0 "[ . 1 . 2]" 1
1345 1 40 HIS HB3 1 40 HIS HD2 2.953 . 4.043 3.834 2.787 3.942 . 0 0 "[ . 1 . 2]" 1
1346 1 32 CYS HB3 1 83 GLN HB3 2.996 . 6.000 5.234 4.965 5.613 . 0 0 "[ . 1 . 2]" 1
1347 1 35 THR MG 1 62 LEU HG 2.176 . 6.000 3.311 3.103 3.469 . 0 0 "[ . 1 . 2]" 1
1348 1 98 VAL MG2 1 99 GLY H 2.968 . 4.069 3.796 3.678 4.016 . 0 0 "[ . 1 . 2]" 1
1349 1 54 ILE HA 1 54 ILE HB 2.959 . 4.054 3.026 3.022 3.032 . 0 0 "[ . 1 . 2]" 1
1350 1 49 LEU HA 1 49 LEU HG 2.833 . 3.836 3.225 3.203 3.273 . 0 0 "[ . 1 . 2]" 1
1351 1 30 TYR HA 1 68 SER H 3.017 . 6.000 4.687 4.420 4.948 . 0 0 "[ . 1 . 2]" 1
1352 1 35 THR HB 1 63 VAL H 3.095 . 4.292 3.630 3.367 3.794 . 0 0 "[ . 1 . 2]" 1
1353 1 60 LYS H 1 60 LYS HD2 3.009 . 4.141 3.124 2.014 4.747 0.606 20 2 "[ . - 1 . +]" 1
1354 1 29 VAL MG1 1 84 THR HA 2.899 . 3.950 3.750 3.433 3.984 0.034 4 0 "[ . 1 . 2]" 1
1355 1 90 THR MG 1 91 TYR QD 3.096 . 6.000 5.074 4.926 5.299 . 0 0 "[ . 1 . 2]" 1
1356 1 54 ILE MG 1 56 ILE HA 2.819 . 3.812 3.663 3.564 3.726 . 0 0 "[ . 1 . 2]" 1
1357 1 87 CYS HA 1 88 THR MG 3.145 . 4.381 4.014 3.866 4.183 . 0 0 "[ . 1 . 2]" 1
1358 1 85 VAL HB 1 87 CYS HA 3.096 . 6.000 4.896 4.822 4.972 . 0 0 "[ . 1 . 2]" 1
1359 1 37 ASP HA 1 63 VAL H 3.049 . 4.211 3.997 3.867 4.240 0.029 5 0 "[ . 1 . 2]" 1
1360 1 88 THR H 1 88 THR HB 2.997 . 4.120 2.667 2.574 2.781 . 0 0 "[ . 1 . 2]" 1
1361 1 32 CYS HB3 1 64 GLY HA2 2.955 . 4.047 3.306 3.055 3.550 . 0 0 "[ . 1 . 2]" 1
1362 1 35 THR H 1 83 GLN HG3 3.180 . 4.444 4.606 4.460 4.685 0.241 10 0 "[ . 1 . 2]" 1
1363 1 48 LEU MD1 1 51 LEU HG 2.370 . 3.072 3.184 3.152 3.204 0.132 13 0 "[ . 1 . 2]" 1
1364 1 70 LEU HA 1 70 LEU HG 3.069 . 4.247 3.285 2.674 3.766 . 0 0 "[ . 1 . 2]" 1
1365 1 54 ILE HA 1 55 LYS HD3 3.031 . 4.180 3.178 2.644 4.142 . 0 0 "[ . 1 . 2]" 1
1366 1 32 CYS H 1 35 THR MG 2.884 . 3.924 4.067 4.012 4.112 0.188 8 0 "[ . 1 . 2]" 1
1367 1 54 ILE MG 1 56 ILE H 3.006 . 4.136 4.176 4.151 4.202 0.066 14 0 "[ . 1 . 2]" 1
1368 1 32 CYS HA 1 33 ASN QB 3.147 . 4.385 4.255 4.031 4.354 . 0 0 "[ . 1 . 2]" 1
1369 1 66 ASN QB 1 95 LEU HA 3.156 . 4.401 3.770 3.412 4.078 . 0 0 "[ . 1 . 2]" 1
1370 1 35 THR HA 1 36 GLU HB3 2.863 . 6.000 4.767 4.483 5.179 . 0 0 "[ . 1 . 2]" 1
1371 1 73 ILE H 1 73 ILE MG 3.014 . 4.149 3.793 3.715 3.871 . 0 0 "[ . 1 . 2]" 1
1372 1 36 GLU HA 1 37 ASP QB 2.912 . 6.000 4.338 4.039 4.540 . 0 0 "[ . 1 . 2]" 1
1373 1 92 GLN HG3 1 96 VAL H 3.022 . 4.164 4.251 4.215 4.292 0.128 15 0 "[ . 1 . 2]" 1
1374 1 54 ILE HB 1 59 LEU MD2 2.623 . 6.000 4.346 4.138 4.486 . 0 0 "[ . 1 . 2]" 1
1375 1 68 SER HA 1 69 PRO HG3 2.877 . 6.000 4.085 3.895 4.219 . 0 0 "[ . 1 . 2]" 1
1376 1 95 LEU MD2 1 96 VAL H 3.014 . 6.000 4.436 4.365 4.494 . 0 0 "[ . 1 . 2]" 1
1377 1 55 LYS HA 1 56 ILE HA 3.005 . 6.000 4.338 4.304 4.390 . 0 0 "[ . 1 . 2]" 1
1378 1 46 THR MG 1 50 GLY H 2.923 . 3.991 3.744 3.623 3.914 . 0 0 "[ . 1 . 2]" 1
1379 1 52 LEU QD 1 91 TYR QD 3.043 . 3.913 2.917 2.010 3.309 . 0 0 "[ . 1 . 2]" 1
1380 1 49 LEU HG 1 54 ILE MD 3.119 . 4.335 4.200 4.108 4.274 . 0 0 "[ . 1 . 2]" 1
1381 1 68 SER H 1 69 PRO HA 3.015 . 6.000 5.188 5.017 5.329 . 0 0 "[ . 1 . 2]" 1
1382 1 51 LEU MD2 1 52 LEU H 3.024 . 4.167 4.328 4.296 4.366 0.199 8 0 "[ . 1 . 2]" 1
1383 1 49 LEU HA 1 96 VAL QG 3.151 . 4.392 3.260 3.007 3.437 . 0 0 "[ . 1 . 2]" 1
1384 1 47 ALA MB 1 49 LEU H 3.152 . 4.394 4.424 4.400 4.450 0.056 2 0 "[ . 1 . 2]" 1
1385 1 66 ASN H 1 95 LEU MD2 3.016 . 4.153 3.513 3.269 3.706 . 0 0 "[ . 1 . 2]" 1
1386 1 54 ILE MD 1 59 LEU MD2 2.847 . 3.860 3.907 3.783 4.009 0.149 9 0 "[ . 1 . 2]" 1
1387 1 62 LEU HB3 1 63 VAL MG1 2.556 . 6.000 4.179 4.077 4.320 . 0 0 "[ . 1 . 2]" 1
1388 1 48 LEU HA 1 49 LEU MD2 2.999 . 6.000 5.180 5.068 5.252 . 0 0 "[ . 1 . 2]" 1
1389 1 80 CYS HB2 1 84 THR MG 2.414 . 3.142 3.218 2.902 3.415 0.273 3 0 "[ . 1 . 2]" 1
1390 1 54 ILE HA 1 54 ILE MD 2.496 . 6.000 3.857 3.842 3.874 . 0 0 "[ . 1 . 2]" 1
1391 1 95 LEU HB2 1 95 LEU MD2 2.187 . 6.000 3.189 3.180 3.197 . 0 0 "[ . 1 . 2]" 1
1392 1 68 SER HA 1 69 PRO HD2 2.463 . 3.221 2.609 2.492 2.904 . 0 0 "[ . 1 . 2]" 1
1393 1 65 LEU HA 1 65 LEU MD1 2.858 . 3.879 3.517 3.496 3.533 . 0 0 "[ . 1 . 2]" 1
1394 1 103 ILE HG12 1 104 ASN HA 2.895 . 3.943 3.798 3.577 4.009 0.066 20 0 "[ . 1 . 2]" 1
1395 1 54 ILE MG 1 91 TYR QE 2.908 . 3.965 3.730 3.378 3.976 0.011 4 0 "[ . 1 . 2]" 1
1396 1 54 ILE MG 1 91 TYR QD 2.666 . 6.000 4.465 4.217 4.710 . 0 0 "[ . 1 . 2]" 1
1397 1 91 TYR QD 1 98 VAL MG1 2.617 . 3.473 2.854 2.528 3.121 . 0 0 "[ . 1 . 2]" 1
1398 1 30 TYR HB2 1 30 TYR QD 2.910 . 3.969 2.401 2.330 2.486 . 0 0 "[ . 1 . 2]" 1
1399 1 29 VAL MG1 1 30 TYR QD 3.025 . 4.169 4.078 3.759 4.241 0.072 18 0 "[ . 1 . 2]" 1
1400 1 40 HIS HB2 1 40 HIS HD2 2.763 . 3.718 2.866 2.708 3.871 0.153 16 0 "[ . 1 . 2]" 1
1401 1 39 LYS HB2 1 40 HIS HD2 2.645 . 3.520 2.625 2.163 3.011 . 0 0 "[ . 1 . 2]" 1
1402 1 30 TYR H 1 30 TYR QD 3.006 . 4.135 2.908 2.766 3.113 . 0 0 "[ . 1 . 2]" 1
1403 1 30 TYR QE 1 90 THR HB 2.951 . 4.040 2.718 2.218 3.269 . 0 0 "[ . 1 . 2]" 1
1404 1 30 TYR QE 1 87 CYS HB2 2.985 . 4.099 2.986 2.506 3.553 . 0 0 "[ . 1 . 2]" 1
1405 1 91 TYR QD 1 96 VAL HB 3.109 . 4.317 3.991 3.598 4.387 0.070 17 0 "[ . 1 . 2]" 1
1406 1 91 TYR QB 1 91 TYR QE 3.203 . 4.485 3.933 3.927 3.940 . 0 0 "[ . 1 . 2]" 1
1407 1 54 ILE HG12 1 91 TYR QE 3.278 . 4.621 3.517 3.052 3.879 . 0 0 "[ . 1 . 2]" 1
1408 1 93 HIS HB3 1 93 HIS HD2 2.721 . 3.647 3.820 2.728 3.976 0.329 14 0 "[ . 1 . 2]" 1
1409 1 30 TYR QE 1 69 PRO HB3 3.317 . 4.692 2.638 2.204 3.036 . 0 0 "[ . 1 . 2]" 1
1410 1 30 TYR HB2 1 30 TYR QE 3.239 . 4.550 4.420 4.397 4.446 . 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 50
_Distance_constraint_stats_list.Viol_count 76
_Distance_constraint_stats_list.Viol_total 48.266
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0318
_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 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.157 0.051 2 0 "[ . 1 . 2]"
1 34 LYS 0.529 0.122 18 0 "[ . 1 . 2]"
1 36 GLU 1.205 0.104 9 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.110 0.050 7 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.110 0.050 7 0 "[ . 1 . 2]"
1 49 LEU 0.021 0.009 11 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 0.021 0.009 11 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 1.205 0.104 9 0 "[ . 1 . 2]"
1 64 GLY 0.022 0.012 1 0 "[ . 1 . 2]"
1 65 LEU 0.529 0.122 18 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 CYS 0.249 0.051 2 0 "[ . 1 . 2]"
1 68 SER 0.157 0.051 2 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 CYS 0.120 0.050 1 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.249 0.051 2 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASN 0.022 0.012 1 0 "[ . 1 . 2]"
1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.120 0.050 1 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 30 TYR H 1 85 VAL O 2.200 . 2.700 1.983 1.737 2.166 . 0 0 "[ . 1 . 2]" 2
2 1 31 CYS H 1 68 SER O 2.200 . 2.700 1.801 1.718 1.889 0.012 11 0 "[ . 1 . 2]" 2
3 1 36 GLU H 1 63 VAL O 2.200 . 2.700 1.675 1.626 1.763 0.104 9 0 "[ . 1 . 2]" 2
4 1 44 GLY O 1 48 LEU H 2.200 . 2.700 2.630 2.442 2.750 0.050 7 0 "[ . 1 . 2]" 2
5 1 43 LYS O 1 47 ALA H 2.200 . 2.700 1.953 1.763 2.178 . 0 0 "[ . 1 . 2]" 2
6 1 45 THR O 1 49 LEU H 2.200 . 2.700 2.082 1.992 2.192 . 0 0 "[ . 1 . 2]" 2
7 1 47 ALA O 1 51 LEU H 2.200 . 2.700 1.980 1.879 2.103 . 0 0 "[ . 1 . 2]" 2
8 1 48 LEU O 1 52 LEU H 2.200 . 2.700 2.122 1.979 2.436 . 0 0 "[ . 1 . 2]" 2
9 1 62 LEU H 1 100 CYS O 2.200 . 2.700 2.289 2.108 2.497 . 0 0 "[ . 1 . 2]" 2
10 1 36 GLU O 1 63 VAL H 2.200 . 2.700 1.770 1.687 1.910 0.043 1 0 "[ . 1 . 2]" 2
11 1 64 GLY H 1 97 ASN O 2.200 . 2.700 2.243 1.895 2.590 . 0 0 "[ . 1 . 2]" 2
12 1 31 CYS O 1 68 SER H 2.200 . 2.700 1.759 1.679 1.893 0.051 2 0 "[ . 1 . 2]" 2
13 1 86 CYS H 1 101 THR O 2.200 . 2.700 1.754 1.680 1.838 0.050 1 0 "[ . 1 . 2]" 2
14 1 46 THR O 1 50 GLY H 2.200 . 2.700 1.816 1.733 1.952 . 0 0 "[ . 1 . 2]" 2
15 1 86 CYS O 1 101 THR H 2.200 . 2.700 1.843 1.764 1.976 . 0 0 "[ . 1 . 2]" 2
16 1 64 GLY O 1 97 ASN H 2.200 . 2.700 2.243 1.814 2.712 0.012 1 0 "[ . 1 . 2]" 2
17 1 30 TYR O 1 85 VAL H 2.200 . 2.700 1.826 1.732 1.907 . 0 0 "[ . 1 . 2]" 2
18 1 62 LEU O 1 100 CYS H 2.200 . 2.700 1.923 1.758 2.143 . 0 0 "[ . 1 . 2]" 2
19 1 49 LEU O 1 54 ILE H 2.200 . 2.700 1.759 1.721 1.804 0.009 11 0 "[ . 1 . 2]" 2
20 1 45 THR O 1 49 LEU N 3.200 2.516 3.927 3.065 2.972 3.176 . 0 0 "[ . 1 . 2]" 2
21 1 47 ALA O 1 51 LEU N 3.200 2.516 3.927 2.844 2.751 2.933 . 0 0 "[ . 1 . 2]" 2
22 1 86 CYS N 1 101 THR O 3.200 2.516 3.927 2.699 2.640 2.791 . 0 0 "[ . 1 . 2]" 2
23 1 49 LEU O 1 54 ILE N 3.200 2.516 3.927 2.713 2.683 2.765 . 0 0 "[ . 1 . 2]" 2
24 1 30 TYR O 1 85 VAL N 3.200 2.516 3.927 2.789 2.686 2.868 . 0 0 "[ . 1 . 2]" 2
25 1 64 GLY O 1 97 ASN N 3.200 2.516 3.927 2.845 2.693 2.972 . 0 0 "[ . 1 . 2]" 2
26 1 30 TYR N 1 85 VAL O 3.200 2.516 3.927 2.910 2.702 3.060 . 0 0 "[ . 1 . 2]" 2
27 1 36 GLU N 1 63 VAL O 3.200 2.516 3.927 2.646 2.603 2.678 . 0 0 "[ . 1 . 2]" 2
28 1 31 CYS O 1 68 SER N 3.200 2.516 3.927 2.723 2.646 2.844 . 0 0 "[ . 1 . 2]" 2
29 1 86 CYS O 1 101 THR N 3.200 2.516 3.927 2.768 2.703 2.879 . 0 0 "[ . 1 . 2]" 2
30 1 43 LYS O 1 47 ALA N 3.200 2.516 3.927 2.789 2.645 2.972 . 0 0 "[ . 1 . 2]" 2
31 1 36 GLU O 1 63 VAL N 3.200 2.516 3.927 2.743 2.643 2.887 . 0 0 "[ . 1 . 2]" 2
32 1 62 LEU O 1 100 CYS N 3.200 2.516 3.927 2.881 2.735 3.101 . 0 0 "[ . 1 . 2]" 2
33 1 31 CYS N 1 68 SER O 3.200 2.516 3.927 2.765 2.679 2.867 . 0 0 "[ . 1 . 2]" 2
34 1 64 GLY N 1 97 ASN O 3.200 2.516 3.927 3.070 2.764 3.416 . 0 0 "[ . 1 . 2]" 2
35 1 62 LEU N 1 100 CYS O 3.200 2.516 3.927 3.097 2.959 3.230 . 0 0 "[ . 1 . 2]" 2
36 1 48 LEU O 1 52 LEU N 3.200 2.516 3.927 3.032 2.864 3.255 . 0 0 "[ . 1 . 2]" 2
37 1 44 GLY O 1 48 LEU N 3.200 2.516 3.927 3.533 3.362 3.661 . 0 0 "[ . 1 . 2]" 2
38 1 46 THR O 1 50 GLY N 3.200 2.516 3.927 2.753 2.669 2.876 . 0 0 "[ . 1 . 2]" 2
39 1 67 CYS H 1 94 GLY O 2.200 . 2.700 1.734 1.679 1.824 0.051 2 0 "[ . 1 . 2]" 2
40 1 66 ASN H 1 95 LEU O 2.200 . 2.700 2.239 2.042 2.516 . 0 0 "[ . 1 . 2]" 2
41 1 34 LYS O 1 65 LEU H 2.200 . 2.700 2.690 2.550 2.822 0.122 18 0 "[ . 1 . 2]" 2
42 1 91 TYR O 1 96 VAL H 2.200 . 2.700 2.380 2.232 2.580 . 0 0 "[ . 1 . 2]" 2
43 1 92 GLN O 1 95 LEU H 2.200 . 2.700 2.324 1.932 2.571 . 0 0 "[ . 1 . 2]" 2
44 1 89 ASN O 1 98 VAL H 2.200 . 2.700 2.094 1.932 2.387 . 0 0 "[ . 1 . 2]" 2
45 1 67 CYS N 1 94 GLY O 3.200 2.516 3.927 2.699 2.638 2.791 . 0 0 "[ . 1 . 2]" 2
46 1 89 ASN O 1 98 VAL N 3.200 2.516 3.927 3.062 2.898 3.334 . 0 0 "[ . 1 . 2]" 2
47 1 34 LYS O 1 65 LEU N 3.200 2.516 3.927 3.645 3.510 3.806 . 0 0 "[ . 1 . 2]" 2
48 1 92 GLN O 1 95 LEU N 3.200 2.516 3.927 3.294 2.914 3.545 . 0 0 "[ . 1 . 2]" 2
49 1 66 ASN N 1 95 LEU O 3.200 2.516 3.927 3.124 2.940 3.368 . 0 0 "[ . 1 . 2]" 2
50 1 91 TYR O 1 96 VAL N 3.200 2.516 3.927 3.323 3.166 3.525 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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