NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641815 |
6mwm   |
30531 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mwm
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 1008
_Distance_constraint_stats_list.Viol_count 3071
_Distance_constraint_stats_list.Viol_total 51515.270
_Distance_constraint_stats_list.Viol_max 5.426
_Distance_constraint_stats_list.Viol_rms 0.4778
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1278
_Distance_constraint_stats_list.Viol_average_violations_only 0.8387
_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 4 GLN 13.540 0.930 12 12 "[ * ***** 1*+- .* **2]"
1 5 THR 9.878 0.930 12 12 "[ * ***** 1*+- .* **2]"
1 6 PRO 0.902 0.139 12 0 "[ . 1 . 2]"
1 7 GLU 183.194 5.310 8 20 [*******+*****-******]
1 8 THR 3.692 0.252 18 0 "[ . 1 . 2]"
1 9 ALA 4.661 0.338 6 0 "[ . 1 . 2]"
1 10 PHE 262.826 3.694 10 20 [*********+*****-****]
1 11 ILE 78.987 1.135 8 20 [*******+************]
1 12 ASN 96.164 1.703 1 20 [+*******-***********]
1 13 ASN 152.305 3.694 10 20 [*****-***+**********]
1 14 VAL 195.760 2.400 20 20 [****************-**+]
1 15 THR 13.520 0.613 20 10 "[* *** - 1 ** . **+]"
1 16 SER 14.149 0.473 19 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 12.874 0.482 20 0 "[ . 1 . 2]"
1 20 TYR 249.225 3.255 14 20 [****-********+******]
1 21 HIS 97.996 5.426 11 20 [**********+****-****]
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TRP 634.596 5.426 11 20 [**********+*********]
1 24 HIS 48.126 3.265 13 13 "[******* - +** **]"
1 25 LEU 216.311 2.400 20 20 [********-**********+]
1 26 VAL 7.227 0.445 11 0 "[ . 1 . 2]"
1 27 SER 6.509 0.259 7 0 "[ . 1 . 2]"
1 28 GLY 8.202 0.259 7 0 "[ . 1 . 2]"
1 29 ASP 17.207 1.326 6 5 "[ .+ **1 . * -]"
1 30 LEU 12.714 0.739 16 3 "[ . 1- *+ 2]"
1 31 ILE 235.047 2.483 16 20 [***************+****]
1 32 VAL 38.702 1.829 15 19 "[**************+- ***]"
1 33 LYS 49.513 2.483 16 20 [***************+****]
1 34 ASP 113.921 2.351 9 20 [********+*-*********]
1 35 VAL 50.746 2.341 14 20 [*************+**-***]
1 36 CYS 6.194 0.215 11 0 "[ . 1 . 2]"
1 37 TYR 7.629 0.926 15 2 "[ . 1 +- 2]"
1 38 LYS 7.309 1.326 6 5 "[ .+ **1 . * -]"
1 39 LYS 14.636 0.739 16 7 "[ . 1**-**+ *]"
1 40 LEU 95.006 1.960 13 20 [************+*****-*]
1 41 LEU 128.695 1.427 8 20 [*******+*******-****]
1 42 HIS 38.860 3.265 13 16 "[******* **- +** ***]"
1 43 TRP 177.778 4.350 9 20 [********+*-*********]
1 44 SER 95.572 4.350 9 20 [***-****+***********]
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 188.590 4.163 6 20 [*****+*********-****]
1 47 THR 4.581 0.664 6 4 "[ .+ *1- * 2]"
1 48 ILE 25.146 1.073 14 18 "[***-*********+** * *]"
1 49 CYS 22.210 0.567 20 6 "[ .* 1 **-* +]"
1 50 TYR 63.252 1.046 17 20 [-***************+***]
1 51 ALA 14.740 0.477 20 0 "[ . 1 . 2]"
1 52 ASP 2.667 0.448 7 0 "[ . 1 . 2]"
1 53 ASN 250.385 5.310 8 20 [******-+************]
1 54 LYS 47.419 1.371 5 20 [****+*-*************]
1 55 PHE 78.701 1.793 18 20 [***-*************+**]
1 56 TYR 6.295 0.382 17 0 "[ . 1 . 2]"
1 57 VAL 0.677 0.196 7 0 "[ . 1 . 2]"
1 58 VAL 13.455 0.783 13 4 "[ . - ** + . 2]"
1 59 LYS 10.473 0.920 1 3 "[+ . -1 * . 2]"
1 60 ASN 18.109 1.414 9 16 "[** *** *+******- **]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 23.450 1.414 9 17 "[** *****+******- **]"
1 63 ALA 1.136 0.333 13 0 "[ . 1 . 2]"
1 64 LEU 14.501 0.792 18 18 "[ ****-** ********+**]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 6.332 1.793 18 1 "[ . 1 . + 2]"
1 67 SER 1.381 0.264 7 0 "[ . 1 . 2]"
1 68 ASP 22.266 1.108 4 20 [***+*************-**]
1 69 LEU 168.658 2.963 5 20 [****+*************-*]
1 70 GLU 94.850 2.764 13 20 [************+*****-*]
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 CYS 5.610 0.417 17 0 "[ . 1 . 2]"
1 73 ARG 30.785 1.945 20 18 "[*****-**** ****** *+]"
1 74 ALA 4.576 0.494 19 0 "[ . 1 . 2]"
1 75 TYR 52.067 2.313 20 20 [************-******+]
1 76 LEU 370.625 3.857 11 20 [**********+*-*******]
1 77 THR 123.841 3.444 20 20 [*****-*************+]
1 78 SER 8.229 0.572 8 3 "[ - . +*1 . 2]"
1 79 ARG 21.515 0.743 4 5 "[ -+. **1 .* 2]"
1 80 ALA 10.575 0.379 19 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 TRP HE1 1 43 TRP QB . . 4.620 5.163 4.537 5.505 0.885 4 15 "[***+.** **-* *****2]" 1
2 1 23 TRP HE1 1 41 LEU QD . . 4.890 5.121 4.752 5.420 0.530 8 1 "[ . + 1 . 2]" 1
3 1 31 ILE MG 1 33 LYS H . . 4.360 4.394 3.777 4.946 0.586 15 2 "[ . 1 +- 2]" 1
4 1 47 THR H 1 58 VAL H . . 4.160 3.435 3.018 3.658 . 0 0 "[ . 1 . 2]" 1
5 1 58 VAL H 1 58 VAL HB . . 3.320 2.462 2.374 2.522 . 0 0 "[ . 1 . 2]" 1
6 1 57 VAL MG2 1 58 VAL H . . 3.860 3.434 3.077 3.526 . 0 0 "[ . 1 . 2]" 1
7 1 58 VAL H 1 58 VAL MG2 . . 3.950 2.249 2.125 2.506 . 0 0 "[ . 1 . 2]" 1
8 1 48 ILE H 1 48 ILE HB . . 3.740 2.509 2.461 2.559 . 0 0 "[ . 1 . 2]" 1
9 1 43 TRP HE1 1 44 SER QB . . 4.970 3.453 2.911 4.664 . 0 0 "[ . 1 . 2]" 1
10 1 37 TYR H 1 37 TYR HB2 . . 3.560 2.465 2.425 2.494 . 0 0 "[ . 1 . 2]" 1
11 1 30 LEU QB 1 37 TYR H . . 5.390 4.233 3.514 4.565 . 0 0 "[ . 1 . 2]" 1
12 1 80 ALA HA 1 81 ALA H . . 3.200 2.366 2.142 2.987 . 0 0 "[ . 1 . 2]" 1
13 1 80 ALA MB 1 81 ALA H . . 4.420 2.947 2.030 3.704 . 0 0 "[ . 1 . 2]" 1
14 1 37 TYR H 1 37 TYR HB3 . . 3.930 3.654 3.629 3.678 . 0 0 "[ . 1 . 2]" 1
15 1 62 VAL HB 1 63 ALA H . . 4.080 3.794 3.447 4.060 . 0 0 "[ . 1 . 2]" 1
16 1 31 ILE HB 1 32 VAL H . . 5.010 4.326 4.197 4.517 . 0 0 "[ . 1 . 2]" 1
17 1 32 VAL H 1 35 VAL H . . 4.100 3.136 2.745 3.644 . 0 0 "[ . 1 . 2]" 1
18 1 31 ILE HA 1 32 VAL H . . 2.920 2.187 2.142 2.366 . 0 0 "[ . 1 . 2]" 1
19 1 32 VAL H 1 32 VAL HB . . 3.680 2.798 2.488 2.919 . 0 0 "[ . 1 . 2]" 1
20 1 31 ILE MG 1 32 VAL H . . 4.670 2.777 2.365 3.537 . 0 0 "[ . 1 . 2]" 1
21 1 42 HIS HB2 1 43 TRP H . . 4.610 4.063 3.140 4.362 . 0 0 "[ . 1 . 2]" 1
22 1 56 TYR QB 1 64 LEU H . . 5.250 3.207 2.541 3.516 . 0 0 "[ . 1 . 2]" 1
23 1 30 LEU HA 1 31 ILE H . . 2.700 2.162 2.139 2.207 . 0 0 "[ . 1 . 2]" 1
24 1 31 ILE H 1 31 ILE HB . . 3.200 2.484 2.251 2.557 . 0 0 "[ . 1 . 2]" 1
25 1 31 ILE H 1 31 ILE HG12 . . 4.410 4.028 3.735 4.297 . 0 0 "[ . 1 . 2]" 1
26 1 30 LEU QD 1 31 ILE H . . 4.000 3.474 2.569 3.779 . 0 0 "[ . 1 . 2]" 1
27 1 31 ILE H 1 31 ILE MD . . 4.620 3.529 2.293 3.773 . 0 0 "[ . 1 . 2]" 1
28 1 63 ALA HA 1 64 LEU H . . 2.700 2.466 2.406 2.570 . 0 0 "[ . 1 . 2]" 1
29 1 64 LEU H 1 64 LEU HB3 . . 3.930 3.653 3.575 3.701 . 0 0 "[ . 1 . 2]" 1
30 1 63 ALA MB 1 64 LEU H . . 4.170 2.297 2.053 2.479 . 0 0 "[ . 1 . 2]" 1
31 1 57 VAL MG1 1 64 LEU H . . 4.250 3.539 3.323 3.802 . 0 0 "[ . 1 . 2]" 1
32 1 59 LYS H 1 62 VAL H . . 3.740 2.649 2.466 2.928 . 0 0 "[ . 1 . 2]" 1
33 1 58 VAL HA 1 59 LYS H . . 2.850 2.209 2.165 2.232 . 0 0 "[ . 1 . 2]" 1
34 1 59 LYS H 1 59 LYS HB3 . . 4.000 3.634 3.011 3.767 . 0 0 "[ . 1 . 2]" 1
35 1 58 VAL MG1 1 59 LYS H . . 3.860 2.198 2.119 2.284 . 0 0 "[ . 1 . 2]" 1
36 1 48 ILE HA 1 49 CYS H . . 3.070 2.162 2.140 2.224 . 0 0 "[ . 1 . 2]" 1
37 1 49 CYS H 1 55 PHE HA . . 4.750 5.151 4.830 5.317 0.567 20 4 "[ .* 1 -* +]" 1
38 1 48 ILE MG 1 49 CYS H . . 4.050 2.868 2.654 3.193 . 0 0 "[ . 1 . 2]" 1
39 1 19 GLY H 1 25 LEU H . . 5.410 4.383 3.777 4.688 . 0 0 "[ . 1 . 2]" 1
40 1 52 ASP H 1 53 ASN H . . 4.860 2.917 2.752 3.198 . 0 0 "[ . 1 . 2]" 1
41 1 51 ALA MB 1 52 ASP H . . 5.060 1.893 1.833 2.025 . 0 0 "[ . 1 . 2]" 1
42 1 79 ARG HA 1 80 ALA H . . 3.190 3.485 3.423 3.569 0.379 19 0 "[ . 1 . 2]" 1
43 1 25 LEU H 1 25 LEU HB3 . . 3.100 2.298 2.143 2.461 . 0 0 "[ . 1 . 2]" 1
44 1 24 HIS QB 1 25 LEU H . . 3.530 2.667 2.349 3.498 . 0 0 "[ . 1 . 2]" 1
45 1 19 GLY HA2 1 25 LEU H . . 4.310 3.858 3.398 4.351 0.041 19 0 "[ . 1 . 2]" 1
46 1 25 LEU H 1 25 LEU HB2 . . 3.250 2.825 2.551 3.020 . 0 0 "[ . 1 . 2]" 1
47 1 29 ASP HB3 1 30 LEU H . . 4.100 4.058 2.786 4.343 0.243 19 0 "[ . 1 . 2]" 1
48 1 30 LEU H 1 30 LEU QB . . 3.580 2.423 2.231 2.927 . 0 0 "[ . 1 . 2]" 1
49 1 35 VAL HB 1 36 CYS H . . 4.690 4.443 4.418 4.466 . 0 0 "[ . 1 . 2]" 1
50 1 35 VAL HA 1 36 CYS H . . 2.640 2.338 2.317 2.386 . 0 0 "[ . 1 . 2]" 1
51 1 36 CYS H 1 36 CYS QB . . 3.170 2.420 2.254 2.603 . 0 0 "[ . 1 . 2]" 1
52 1 35 VAL MG2 1 36 CYS H . . 4.150 4.320 4.285 4.358 0.208 16 0 "[ . 1 . 2]" 1
53 1 31 ILE MD 1 36 CYS H . . 5.500 4.785 4.087 4.964 . 0 0 "[ . 1 . 2]" 1
54 1 35 VAL MG1 1 36 CYS H . . 3.450 3.547 3.466 3.665 0.215 11 0 "[ . 1 . 2]" 1
55 1 9 ALA H 1 9 ALA MB . . 3.120 2.162 2.035 2.238 . 0 0 "[ . 1 . 2]" 1
56 1 43 TRP HH2 1 44 SER H . . 5.480 7.390 6.747 9.830 4.350 9 20 [*******-+***********] 1
57 1 71 ALA H 1 71 ALA MB . . 3.120 2.222 2.142 2.266 . 0 0 "[ . 1 . 2]" 1
58 1 59 LYS H 1 60 ASN H . . 5.500 3.953 2.846 4.333 . 0 0 "[ . 1 . 2]" 1
59 1 60 ASN H 1 61 ASP H . . 4.750 2.550 1.717 2.841 . 0 0 "[ . 1 . 2]" 1
60 1 60 ASN H 1 62 VAL H . . 5.500 3.843 2.750 4.605 . 0 0 "[ . 1 . 2]" 1
61 1 35 VAL H 1 35 VAL HB . . 3.100 2.715 2.613 2.797 . 0 0 "[ . 1 . 2]" 1
62 1 33 LYS QG 1 35 VAL H . . 5.500 5.351 5.047 5.607 0.107 16 0 "[ . 1 . 2]" 1
63 1 35 VAL H 1 35 VAL MG2 . . 3.420 2.692 2.391 2.829 . 0 0 "[ . 1 . 2]" 1
64 1 31 ILE MD 1 35 VAL H . . 4.010 6.080 5.397 6.351 2.341 14 20 [*************+**-***] 1
65 1 35 VAL H 1 35 VAL MG1 . . 4.340 3.882 3.822 3.914 . 0 0 "[ . 1 . 2]" 1
66 1 24 HIS H 1 24 HIS QB . . 3.340 2.494 2.174 2.974 . 0 0 "[ . 1 . 2]" 1
67 1 24 HIS H 1 42 HIS H . . 4.010 2.896 2.670 3.117 . 0 0 "[ . 1 . 2]" 1
68 1 23 TRP HE3 1 24 HIS H . . 5.500 4.160 3.742 4.473 . 0 0 "[ . 1 . 2]" 1
69 1 23 TRP HA 1 24 HIS H . . 3.040 2.193 2.150 2.263 . 0 0 "[ . 1 . 2]" 1
70 1 23 TRP HB3 1 24 HIS H . . 4.570 3.085 2.812 3.326 . 0 0 "[ . 1 . 2]" 1
71 1 24 HIS H 1 43 TRP QB . . 4.410 2.996 2.139 3.545 . 0 0 "[ . 1 . 2]" 1
72 1 38 LYS HA 1 39 LYS H . . 2.700 2.145 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
73 1 39 LYS H 1 39 LYS QB . . 3.310 2.339 2.261 2.447 . 0 0 "[ . 1 . 2]" 1
74 1 13 ASN H 1 13 ASN HB2 . . 3.040 2.248 2.088 2.619 . 0 0 "[ . 1 . 2]" 1
75 1 13 ASN H 1 14 VAL QG . . 5.500 4.048 3.879 4.125 . 0 0 "[ . 1 . 2]" 1
76 1 25 LEU HA 1 26 VAL H . . 2.700 2.143 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
77 1 26 VAL H 1 26 VAL MG2 . . 3.650 2.267 2.112 2.428 . 0 0 "[ . 1 . 2]" 1
78 1 79 ARG H 1 79 ARG HB3 . . 3.530 2.679 2.203 3.105 . 0 0 "[ . 1 . 2]" 1
79 1 79 ARG H 1 79 ARG HG2 . . 5.500 4.081 2.856 4.731 . 0 0 "[ . 1 . 2]" 1
80 1 50 TYR HB3 1 51 ALA H . . 3.950 4.098 3.704 4.255 0.305 20 0 "[ . 1 . 2]" 1
81 1 50 TYR HB2 1 51 ALA H . . 3.550 2.894 2.249 3.187 . 0 0 "[ . 1 . 2]" 1
82 1 74 ALA H 1 75 TYR H . . 3.300 2.482 2.324 2.646 . 0 0 "[ . 1 . 2]" 1
83 1 75 TYR H 1 75 TYR QB . . 2.880 2.218 2.144 2.348 . 0 0 "[ . 1 . 2]" 1
84 1 75 TYR H 1 76 LEU QB . . 5.050 4.270 3.963 4.402 . 0 0 "[ . 1 . 2]" 1
85 1 74 ALA MB 1 75 TYR H . . 3.550 3.360 3.204 3.517 . 0 0 "[ . 1 . 2]" 1
86 1 50 TYR HA 1 51 ALA H . . 3.020 2.252 2.171 2.510 . 0 0 "[ . 1 . 2]" 1
87 1 51 ALA H 1 52 ASP H . . 4.430 4.296 4.187 4.369 . 0 0 "[ . 1 . 2]" 1
88 1 74 ALA H 1 74 ALA MB . . 2.980 2.159 2.100 2.213 . 0 0 "[ . 1 . 2]" 1
89 1 23 TRP H 1 23 TRP HB2 . . 3.610 2.570 2.465 2.627 . 0 0 "[ . 1 . 2]" 1
90 1 23 TRP H 1 23 TRP HB3 . . 3.950 3.608 3.587 3.637 . 0 0 "[ . 1 . 2]" 1
91 1 43 TRP HD1 1 46 GLN H . . 5.500 6.093 5.351 7.089 1.589 15 13 "[ ******* 1 ** +- **]" 1
92 1 46 GLN H 1 46 GLN QE . . 3.960 2.694 1.840 3.337 . 0 0 "[ . 1 . 2]" 1
93 1 23 TRP HD1 1 46 GLN H . . 5.290 8.975 8.067 9.453 4.163 6 20 [*****+**********-***] 1
94 1 46 GLN H 1 46 GLN HB2 . . 3.430 2.713 2.330 2.838 . 0 0 "[ . 1 . 2]" 1
95 1 25 LEU HA 1 42 HIS H . . 5.500 4.372 3.954 4.632 . 0 0 "[ . 1 . 2]" 1
96 1 42 HIS H 1 42 HIS HB2 . . 4.010 3.422 3.184 3.954 . 0 0 "[ . 1 . 2]" 1
97 1 42 HIS H 1 42 HIS HB3 . . 3.660 3.005 2.814 3.214 . 0 0 "[ . 1 . 2]" 1
98 1 46 GLN H 1 57 VAL MG2 . . 5.500 5.329 4.855 5.696 0.196 7 0 "[ . 1 . 2]" 1
99 1 41 LEU HA 1 42 HIS H . . 2.700 2.381 2.287 2.490 . 0 0 "[ . 1 . 2]" 1
100 1 23 TRP HA 1 42 HIS H . . 5.190 4.204 3.722 4.598 . 0 0 "[ . 1 . 2]" 1
101 1 41 LEU QB 1 42 HIS H . . 3.960 2.450 2.195 2.747 . 0 0 "[ . 1 . 2]" 1
102 1 26 VAL MG2 1 42 HIS H . . 4.670 2.614 2.356 3.059 . 0 0 "[ . 1 . 2]" 1
103 1 9 ALA HA 1 12 ASN H . . 3.900 3.799 3.609 3.947 0.047 3 0 "[ . 1 . 2]" 1
104 1 12 ASN H 1 12 ASN QB . . 2.800 2.121 2.072 2.184 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE HB 1 12 ASN H . . 3.190 2.450 2.359 2.679 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE MD 1 12 ASN H . . 4.060 4.245 4.138 4.544 0.484 18 0 "[ . 1 . 2]" 1
107 1 19 GLY HA3 1 20 TYR H . . 3.490 2.643 2.317 2.749 . 0 0 "[ . 1 . 2]" 1
108 1 20 TYR H 1 23 TRP HB2 . . 4.240 2.386 2.274 2.513 . 0 0 "[ . 1 . 2]" 1
109 1 20 TYR H 1 25 LEU QD . . 4.300 5.605 5.468 5.960 1.660 20 20 [********-**********+] 1
110 1 54 LYS QB 1 55 PHE H . . 4.390 2.977 2.276 3.507 . 0 0 "[ . 1 . 2]" 1
111 1 69 LEU HG 1 70 GLU H . . 3.820 4.517 4.330 4.615 0.795 13 20 [************+*****-*] 1
112 1 70 GLU H 1 70 GLU QB . . 3.450 2.049 2.044 2.056 . 0 0 "[ . 1 . 2]" 1
113 1 69 LEU H 1 69 LEU QB . . 3.340 2.125 2.100 2.155 . 0 0 "[ . 1 . 2]" 1
114 1 28 GLY QA 1 29 ASP H . . 2.700 2.783 2.149 2.914 0.214 17 0 "[ . 1 . 2]" 1
115 1 29 ASP H 1 29 ASP HB2 . . 3.240 3.118 3.007 3.226 . 0 0 "[ . 1 . 2]" 1
116 1 53 ASN QB 1 54 LYS H . . 4.090 3.802 2.824 3.932 . 0 0 "[ . 1 . 2]" 1
117 1 51 ALA H 1 54 LYS H . . 3.940 2.783 2.339 3.772 . 0 0 "[ . 1 . 2]" 1
118 1 53 ASN H 1 54 LYS H . . 3.560 2.202 1.728 2.546 . 0 0 "[ . 1 . 2]" 1
119 1 53 ASN QD 1 54 LYS H . . 3.950 4.369 3.629 4.959 1.009 14 7 "[ . - *1* *+** 2]" 1
120 1 54 LYS H 1 54 LYS QB . . 3.370 2.752 2.287 3.234 . 0 0 "[ . 1 . 2]" 1
121 1 66 PHE QB 1 72 CYS H . . 4.790 3.649 3.573 3.984 . 0 0 "[ . 1 . 2]" 1
122 1 55 PHE QE 1 72 CYS H . . 5.100 4.624 4.311 5.180 0.080 7 0 "[ . 1 . 2]" 1
123 1 38 LYS H 1 39 LYS H . . 4.800 4.188 4.028 4.332 . 0 0 "[ . 1 . 2]" 1
124 1 71 ALA H 1 72 CYS H . . 3.300 2.540 2.466 2.684 . 0 0 "[ . 1 . 2]" 1
125 1 72 CYS H 1 72 CYS QB . . 3.560 2.250 2.215 2.266 . 0 0 "[ . 1 . 2]" 1
126 1 71 ALA MB 1 72 CYS H . . 4.120 2.520 2.425 2.646 . 0 0 "[ . 1 . 2]" 1
127 1 38 LYS H 1 38 LYS HB2 . . 3.900 2.443 2.242 2.585 . 0 0 "[ . 1 . 2]" 1
128 1 65 PRO HA 1 66 PHE H . . 3.020 2.153 2.150 2.164 . 0 0 "[ . 1 . 2]" 1
129 1 66 PHE H 1 66 PHE QB . . 3.590 2.258 2.219 2.298 . 0 0 "[ . 1 . 2]" 1
130 1 56 TYR QB 1 57 VAL H . . 3.720 3.012 2.862 3.243 . 0 0 "[ . 1 . 2]" 1
131 1 57 VAL H 1 64 LEU HB2 . . 4.670 3.380 2.880 3.727 . 0 0 "[ . 1 . 2]" 1
132 1 57 VAL H 1 57 VAL MG1 . . 3.280 1.897 1.800 1.915 . 0 0 "[ . 1 . 2]" 1
133 1 57 VAL H 1 65 PRO HA . . 5.140 4.234 4.089 4.327 . 0 0 "[ . 1 . 2]" 1
134 1 7 GLU H 1 53 ASN QB . . 4.550 6.647 5.280 7.145 2.595 8 20 [*******+*****-******] 1
135 1 7 GLU H 1 7 GLU QB . . 3.840 2.265 2.088 2.376 . 0 0 "[ . 1 . 2]" 1
136 1 6 PRO HB3 1 7 GLU H . . 4.130 4.152 3.945 4.269 0.139 12 0 "[ . 1 . 2]" 1
137 1 39 LYS HA 1 40 LEU H . . 2.700 2.421 2.382 2.481 . 0 0 "[ . 1 . 2]" 1
138 1 40 LEU H 1 49 CYS HA . . 3.990 3.096 2.864 3.215 . 0 0 "[ . 1 . 2]" 1
139 1 49 CYS H 1 56 TYR H . . 4.220 3.388 3.143 3.521 . 0 0 "[ . 1 . 2]" 1
140 1 50 TYR HA 1 56 TYR H . . 5.150 2.624 2.274 2.866 . 0 0 "[ . 1 . 2]" 1
141 1 55 PHE HB3 1 56 TYR H . . 4.700 4.286 4.140 4.456 . 0 0 "[ . 1 . 2]" 1
142 1 15 THR HB 1 16 SER H . . 3.680 2.925 2.517 3.221 . 0 0 "[ . 1 . 2]" 1
143 1 16 SER H 1 16 SER QB . . 3.160 2.283 2.254 2.335 . 0 0 "[ . 1 . 2]" 1
144 1 47 THR H 1 47 THR HB . . 3.670 2.996 2.704 3.183 . 0 0 "[ . 1 . 2]" 1
145 1 47 THR H 1 57 VAL MG2 . . 4.680 2.872 2.531 3.510 . 0 0 "[ . 1 . 2]" 1
146 1 47 THR H 1 58 VAL HA . . 5.500 4.799 4.522 5.099 . 0 0 "[ . 1 . 2]" 1
147 1 22 SER H 1 23 TRP H . . 4.240 2.198 2.047 2.346 . 0 0 "[ . 1 . 2]" 1
148 1 21 HIS QB 1 22 SER H . . 3.320 2.146 1.992 2.717 . 0 0 "[ . 1 . 2]" 1
149 1 22 SER H 1 22 SER HB3 . . 4.200 3.569 3.201 3.743 . 0 0 "[ . 1 . 2]" 1
150 1 72 CYS H 1 73 ARG H . . 3.300 2.644 2.558 2.801 . 0 0 "[ . 1 . 2]" 1
151 1 72 CYS QB 1 73 ARG H . . 3.460 2.491 2.386 2.608 . 0 0 "[ . 1 . 2]" 1
152 1 73 ARG H 1 73 ARG QB . . 3.370 2.436 2.288 2.634 . 0 0 "[ . 1 . 2]" 1
153 1 13 ASN HB2 1 14 VAL H . . 3.520 3.669 3.483 3.990 0.470 20 0 "[ . 1 . 2]" 1
154 1 14 VAL H 1 14 VAL HB . . 3.290 2.729 2.645 2.826 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL H 1 14 VAL QG . . 3.350 2.244 2.118 2.324 . 0 0 "[ . 1 . 2]" 1
156 1 73 ARG H 1 73 ARG HD2 . . 5.270 4.529 3.924 4.921 . 0 0 "[ . 1 . 2]" 1
157 1 12 ASN H 1 14 VAL H . . 4.700 4.327 4.181 4.407 . 0 0 "[ . 1 . 2]" 1
158 1 61 ASP H 1 62 VAL H . . 3.620 1.966 1.749 2.606 . 0 0 "[ . 1 . 2]" 1
159 1 60 ASN QB 1 62 VAL H . . 5.320 4.935 4.510 5.450 0.130 10 0 "[ . 1 . 2]" 1
160 1 61 ASP HB2 1 62 VAL H . . 5.440 4.439 4.288 4.635 . 0 0 "[ . 1 . 2]" 1
161 1 61 ASP HA 1 62 VAL H . . 3.270 2.847 2.579 3.003 . 0 0 "[ . 1 . 2]" 1
162 1 62 VAL H 1 62 VAL HB . . 3.300 3.036 2.927 3.359 0.059 11 0 "[ . 1 . 2]" 1
163 1 58 VAL MG1 1 62 VAL H . . 4.100 2.829 2.332 3.267 . 0 0 "[ . 1 . 2]" 1
164 1 49 CYS H 1 50 TYR H . . 3.820 4.041 3.902 4.190 0.370 15 0 "[ . 1 . 2]" 1
165 1 38 LYS H 1 50 TYR H . . 4.070 2.943 2.603 3.180 . 0 0 "[ . 1 . 2]" 1
166 1 50 TYR H 1 50 TYR HB2 . . 3.830 3.704 3.654 3.755 . 0 0 "[ . 1 . 2]" 1
167 1 50 TYR H 1 51 ALA MB . . 5.420 5.464 5.345 5.571 0.151 11 0 "[ . 1 . 2]" 1
168 1 38 LYS HB2 1 50 TYR H . . 4.750 3.443 3.191 3.620 . 0 0 "[ . 1 . 2]" 1
169 1 16 SER QB 1 17 ASN H . . 3.830 3.275 3.066 3.430 . 0 0 "[ . 1 . 2]" 1
170 1 17 ASN H 1 17 ASN HB2 . . 2.870 2.380 2.303 2.505 . 0 0 "[ . 1 . 2]" 1
171 1 73 ARG HA 1 76 LEU H . . 3.900 3.848 3.612 3.986 0.086 8 0 "[ . 1 . 2]" 1
172 1 75 TYR QB 1 76 LEU H . . 3.470 3.157 2.741 3.425 . 0 0 "[ . 1 . 2]" 1
173 1 76 LEU H 1 76 LEU QB . . 3.460 2.551 2.305 2.751 . 0 0 "[ . 1 . 2]" 1
174 1 76 LEU H 1 76 LEU HG . . 3.150 2.822 2.219 3.912 0.762 19 1 "[ . 1 . +2]" 1
175 1 76 LEU H 1 76 LEU QD . . 4.450 3.197 1.810 3.471 . 0 0 "[ . 1 . 2]" 1
176 1 78 SER H 1 78 SER HB2 . . 3.490 2.900 2.511 3.288 . 0 0 "[ . 1 . 2]" 1
177 1 77 THR MG 1 78 SER H . . 4.620 4.337 4.021 4.439 . 0 0 "[ . 1 . 2]" 1
178 1 15 THR H 1 15 THR HB . . 3.430 2.846 2.531 3.048 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL HB 1 15 THR H . . 3.640 2.949 2.733 3.178 . 0 0 "[ . 1 . 2]" 1
180 1 14 VAL QG 1 15 THR H . . 3.830 3.387 3.305 3.490 . 0 0 "[ . 1 . 2]" 1
181 1 7 GLU H 1 8 THR H . . 3.300 2.710 2.489 2.907 . 0 0 "[ . 1 . 2]" 1
182 1 8 THR H 1 9 ALA H . . 3.300 2.358 1.921 2.551 . 0 0 "[ . 1 . 2]" 1
183 1 7 GLU QB 1 8 THR H . . 3.750 2.574 2.258 3.037 . 0 0 "[ . 1 . 2]" 1
184 1 8 THR H 1 8 THR MG . . 4.170 1.953 1.902 2.059 . 0 0 "[ . 1 . 2]" 1
185 1 17 ASN HB2 1 17 ASN HD22 . . 4.010 3.541 3.500 3.638 . 0 0 "[ . 1 . 2]" 1
186 1 17 ASN HD21 1 18 GLY H . . 5.500 4.368 4.184 4.529 . 0 0 "[ . 1 . 2]" 1
187 1 41 LEU H 1 48 ILE H . . 3.880 3.573 3.237 3.724 . 0 0 "[ . 1 . 2]" 1
188 1 40 LEU H 1 41 LEU H . . 3.220 2.773 2.651 3.002 . 0 0 "[ . 1 . 2]" 1
189 1 41 LEU H 1 49 CYS HA . . 5.380 4.679 4.570 4.795 . 0 0 "[ . 1 . 2]" 1
190 1 39 LYS HA 1 41 LEU H . . 4.360 3.657 3.427 4.205 . 0 0 "[ . 1 . 2]" 1
191 1 41 LEU H 1 48 ILE HB . . 3.730 1.959 1.847 2.073 . 0 0 "[ . 1 . 2]" 1
192 1 40 LEU HB2 1 41 LEU H . . 4.250 3.682 3.276 3.822 . 0 0 "[ . 1 . 2]" 1
193 1 67 SER H 1 68 ASP H . . 5.020 1.970 1.870 2.176 . 0 0 "[ . 1 . 2]" 1
194 1 68 ASP H 1 71 ALA H . . 4.470 3.297 3.248 3.341 . 0 0 "[ . 1 . 2]" 1
195 1 67 SER HB2 1 68 ASP H . . 3.790 3.302 2.853 4.054 0.264 7 0 "[ . 1 . 2]" 1
196 1 66 PHE QB 1 68 ASP H . . 3.530 3.308 2.672 3.414 . 0 0 "[ . 1 . 2]" 1
197 1 68 ASP H 1 71 ALA MB . . 3.100 2.109 2.009 2.562 . 0 0 "[ . 1 . 2]" 1
198 1 68 ASP H 1 69 LEU H . . 3.300 4.392 4.358 4.408 1.108 4 20 [***+*************-**] 1
199 1 66 PHE QD 1 68 ASP H . . 4.210 3.011 2.811 3.918 . 0 0 "[ . 1 . 2]" 1
200 1 52 ASP HB3 1 53 ASN H . . 3.490 3.150 2.467 3.819 0.329 13 0 "[ . 1 . 2]" 1
201 1 12 ASN H 1 13 ASN QD . . 5.500 6.604 5.759 7.203 1.703 1 14 "[+* *.-* *** * .*****]" 1
202 1 4 GLN QE 1 9 ALA MB . . 5.500 3.334 2.916 3.915 . 0 0 "[ . 1 . 2]" 1
203 1 10 PHE QD 1 13 ASN QD . . 3.890 6.947 5.604 7.584 3.694 10 20 [*********+*****-****] 1
204 1 58 VAL MG1 1 61 ASP H . . 4.600 3.859 3.174 4.179 . 0 0 "[ . 1 . 2]" 1
205 1 60 ASN QB 1 61 ASP H . . 3.890 3.176 2.697 3.506 . 0 0 "[ . 1 . 2]" 1
206 1 4 GLN QE 1 8 THR H . . 5.470 4.371 3.794 4.966 . 0 0 "[ . 1 . 2]" 1
207 1 4 GLN QE 1 5 THR HA . . 5.030 5.479 4.839 5.960 0.930 12 12 "[ * ***** 1*+- .* **2]" 1
208 1 4 GLN QE 1 5 THR H . . 5.500 3.570 2.447 4.055 . 0 0 "[ . 1 . 2]" 1
209 1 8 THR MG 1 12 ASN QD . . 4.360 2.810 2.592 3.572 . 0 0 "[ . 1 . 2]" 1
210 1 10 PHE H 1 12 ASN QD . . 5.500 5.637 5.322 5.904 0.404 4 0 "[ . 1 . 2]" 1
211 1 27 SER H 1 27 SER QB . . 3.430 3.245 2.966 3.455 0.025 17 0 "[ . 1 . 2]" 1
212 1 26 VAL HB 1 27 SER H . . 2.940 1.954 1.877 2.060 . 0 0 "[ . 1 . 2]" 1
213 1 26 VAL MG1 1 27 SER H . . 4.130 3.534 3.334 3.636 . 0 0 "[ . 1 . 2]" 1
214 1 26 VAL MG2 1 27 SER H . . 4.100 3.002 2.479 3.300 . 0 0 "[ . 1 . 2]" 1
215 1 33 LYS H 1 34 ASP H . . 4.050 2.617 2.560 2.755 . 0 0 "[ . 1 . 2]" 1
216 1 34 ASP H 1 35 VAL H . . 3.900 2.554 2.457 2.587 . 0 0 "[ . 1 . 2]" 1
217 1 31 ILE MD 1 34 ASP H . . 3.930 6.176 5.958 6.281 2.351 9 20 [********+*-*********] 1
218 1 32 VAL H 1 34 ASP H . . 5.410 4.125 3.668 4.422 . 0 0 "[ . 1 . 2]" 1
219 1 23 TRP HD1 1 46 GLN QE . . 4.330 7.205 5.998 8.273 3.943 18 20 [*******-*********+**] 1
220 1 43 TRP HD1 1 46 GLN QE . . 4.610 6.505 5.686 7.539 2.929 19 20 [********-*********+*] 1
221 1 28 GLY H 1 39 LYS QB . . 4.200 2.040 1.872 2.425 . 0 0 "[ . 1 . 2]" 1
222 1 75 TYR H 1 77 THR H . . 3.710 3.580 3.084 3.789 0.079 20 0 "[ . 1 . 2]" 1
223 1 76 LEU QB 1 77 THR H . . 3.760 3.146 2.443 3.366 . 0 0 "[ . 1 . 2]" 1
224 1 77 THR H 1 77 THR MG . . 3.790 3.876 3.732 3.966 0.176 18 0 "[ . 1 . 2]" 1
225 1 17 ASN HB2 1 19 GLY H . . 4.460 3.792 3.512 3.934 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLY H 1 25 LEU HB3 . . 4.140 4.061 3.322 4.364 0.224 16 0 "[ . 1 . 2]" 1
227 1 18 GLY H 1 19 GLY H . . 3.390 1.866 1.834 1.884 . 0 0 "[ . 1 . 2]" 1
228 1 17 ASN HB2 1 18 GLY H . . 3.990 3.287 3.043 3.422 . 0 0 "[ . 1 . 2]" 1
229 1 40 LEU HB2 1 41 LEU QB . . 5.470 5.263 4.950 5.451 . 0 0 "[ . 1 . 2]" 1
230 1 40 LEU H 1 41 LEU QB . . 4.870 5.099 4.832 5.380 0.510 19 1 "[ . 1 . +2]" 1
231 1 41 LEU QB 1 48 ILE HB . . 4.180 2.064 1.969 2.327 . 0 0 "[ . 1 . 2]" 1
232 1 41 LEU QB 1 48 ILE MG . . 5.410 3.018 2.570 3.303 . 0 0 "[ . 1 . 2]" 1
233 1 41 LEU QB 1 48 ILE QG . . 4.430 2.024 1.898 2.266 . 0 0 "[ . 1 . 2]" 1
234 1 41 LEU QB 1 48 ILE H . . 5.170 3.443 3.164 3.621 . 0 0 "[ . 1 . 2]" 1
235 1 23 TRP HB2 1 41 LEU QB . . 4.280 3.177 3.034 3.421 . 0 0 "[ . 1 . 2]" 1
236 1 39 LYS HA 1 40 LEU HB2 . . 5.500 4.744 4.541 4.794 . 0 0 "[ . 1 . 2]" 1
237 1 40 LEU HB3 1 49 CYS HA . . 5.500 4.873 4.828 4.908 . 0 0 "[ . 1 . 2]" 1
238 1 18 GLY HA3 1 25 LEU HB2 . . 4.880 4.184 3.947 4.304 . 0 0 "[ . 1 . 2]" 1
239 1 18 GLY HA2 1 25 LEU HB2 . . 4.660 2.833 2.621 3.072 . 0 0 "[ . 1 . 2]" 1
240 1 18 GLY HA2 1 25 LEU HB3 . . 3.620 2.631 2.000 2.964 . 0 0 "[ . 1 . 2]" 1
241 1 30 LEU QB 1 31 ILE H . . 5.200 3.805 3.641 3.978 . 0 0 "[ . 1 . 2]" 1
242 1 29 ASP HA 1 30 LEU QB . . 5.470 4.084 3.845 4.203 . 0 0 "[ . 1 . 2]" 1
243 1 30 LEU QB 1 37 TYR HB2 . . 4.390 2.876 2.004 3.274 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLY HA2 1 46 GLN QE . . 5.250 4.293 3.640 5.082 . 0 0 "[ . 1 . 2]" 1
245 1 45 GLY HA3 1 46 GLN QE . . 4.710 3.096 2.412 4.421 . 0 0 "[ . 1 . 2]" 1
246 1 19 GLY HA3 1 25 LEU H . . 4.420 2.833 2.276 3.161 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLY HA3 1 25 LEU QD . . 4.560 4.422 4.304 4.632 0.072 17 0 "[ . 1 . 2]" 1
248 1 19 GLY HA3 1 25 LEU HB2 . . 4.870 3.285 3.165 3.546 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLY HA2 1 25 LEU HG . . 5.500 5.130 4.592 5.720 0.220 2 0 "[ . 1 . 2]" 1
250 1 19 GLY HA2 1 25 LEU HB3 . . 4.380 4.431 3.869 4.862 0.482 20 0 "[ . 1 . 2]" 1
251 1 19 GLY HA2 1 25 LEU QD . . 4.140 3.829 3.511 4.273 0.133 20 0 "[ . 1 . 2]" 1
252 1 19 GLY HA3 1 25 LEU HB3 . . 5.140 4.123 3.538 4.348 . 0 0 "[ . 1 . 2]" 1
253 1 28 GLY QA 1 39 LYS HE3 . . 5.220 3.865 3.025 4.617 . 0 0 "[ . 1 . 2]" 1
254 1 28 GLY QA 1 39 LYS HD2 . . 5.060 4.564 3.639 5.171 0.111 11 0 "[ . 1 . 2]" 1
255 1 28 GLY QA 1 29 ASP HA . . 5.500 4.494 4.115 4.571 . 0 0 "[ . 1 . 2]" 1
256 1 28 GLY QA 1 29 ASP HB2 . . 5.200 4.070 3.572 4.193 . 0 0 "[ . 1 . 2]" 1
257 1 10 PHE QE 1 73 ARG HD2 . . 4.850 4.564 4.249 5.099 0.249 7 0 "[ . 1 . 2]" 1
258 1 19 GLY HA2 1 25 LEU HB2 . . 5.500 2.992 2.519 3.473 . 0 0 "[ . 1 . 2]" 1
259 1 24 HIS HA 1 25 LEU HB3 . . 5.310 4.558 4.358 4.667 . 0 0 "[ . 1 . 2]" 1
260 1 73 ARG QB 1 73 ARG HD2 . . 3.870 3.032 2.234 3.288 . 0 0 "[ . 1 . 2]" 1
261 1 49 CYS H 1 56 TYR QB . . 5.500 3.689 3.468 3.970 . 0 0 "[ . 1 . 2]" 1
262 1 50 TYR HA 1 56 TYR QB . . 5.500 4.137 3.857 4.385 . 0 0 "[ . 1 . 2]" 1
263 1 56 TYR QB 1 63 ALA HA . . 5.500 4.330 3.835 4.574 . 0 0 "[ . 1 . 2]" 1
264 1 56 TYR QB 1 65 PRO HA . . 5.240 3.968 3.752 4.117 . 0 0 "[ . 1 . 2]" 1
265 1 49 CYS HB2 1 56 TYR QB . . 4.860 2.951 2.638 3.332 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLY H 1 25 LEU HB2 . . 5.500 2.746 2.379 3.050 . 0 0 "[ . 1 . 2]" 1
267 1 29 ASP H 1 29 ASP HB3 . . 3.740 3.699 3.535 3.792 0.052 17 0 "[ . 1 . 2]" 1
268 1 29 ASP HB2 1 30 LEU H . . 4.260 4.423 3.900 4.626 0.366 17 0 "[ . 1 . 2]" 1
269 1 28 GLY QA 1 29 ASP HB3 . . 5.500 4.269 4.147 4.652 . 0 0 "[ . 1 . 2]" 1
270 1 64 LEU H 1 64 LEU HB2 . . 4.060 2.851 2.705 2.948 . 0 0 "[ . 1 . 2]" 1
271 1 63 ALA HA 1 64 LEU HB2 . . 5.330 3.913 3.851 4.008 . 0 0 "[ . 1 . 2]" 1
272 1 57 VAL H 1 64 LEU HB3 . . 5.500 3.498 3.065 3.729 . 0 0 "[ . 1 . 2]" 1
273 1 55 PHE HB2 1 56 TYR H . . 4.120 3.912 3.774 4.133 0.013 18 0 "[ . 1 . 2]" 1
274 1 48 ILE MG 1 55 PHE HB2 . . 5.070 4.549 4.222 4.778 . 0 0 "[ . 1 . 2]" 1
275 1 68 ASP QB 1 69 LEU H . . 3.640 2.265 2.206 2.316 . 0 0 "[ . 1 . 2]" 1
276 1 68 ASP QB 1 70 GLU H . . 4.840 2.803 2.731 2.901 . 0 0 "[ . 1 . 2]" 1
277 1 67 SER HB2 1 68 ASP QB . . 5.500 4.815 4.319 5.459 . 0 0 "[ . 1 . 2]" 1
278 1 68 ASP QB 1 71 ALA MB . . 5.500 3.520 3.155 4.708 . 0 0 "[ . 1 . 2]" 1
279 1 68 ASP QB 1 71 ALA H . . 5.500 3.362 3.085 4.162 . 0 0 "[ . 1 . 2]" 1
280 1 55 PHE H 1 55 PHE HB3 . . 4.110 2.383 2.214 2.633 . 0 0 "[ . 1 . 2]" 1
281 1 55 PHE HB3 1 72 CYS QB . . 4.580 3.563 2.991 3.716 . 0 0 "[ . 1 . 2]" 1
282 1 50 TYR HB3 1 55 PHE QD . . 5.080 2.886 2.719 3.492 . 0 0 "[ . 1 . 2]" 1
283 1 50 TYR HB3 1 55 PHE HA . . 4.800 2.943 2.380 3.150 . 0 0 "[ . 1 . 2]" 1
284 1 50 TYR HB2 1 55 PHE HA . . 4.700 2.787 2.429 3.037 . 0 0 "[ . 1 . 2]" 1
285 1 50 TYR HB2 1 51 ALA HA . . 5.500 4.889 4.530 5.056 . 0 0 "[ . 1 . 2]" 1
286 1 30 LEU QD 1 39 LYS HE2 . . 4.880 4.847 3.976 5.569 0.689 15 1 "[ . 1 + 2]" 1
287 1 37 TYR HB2 1 38 LYS H . . 4.510 3.426 3.122 3.834 . 0 0 "[ . 1 . 2]" 1
288 1 37 TYR HB3 1 38 LYS H . . 4.200 2.212 1.930 2.722 . 0 0 "[ . 1 . 2]" 1
289 1 30 LEU QB 1 37 TYR HB3 . . 4.960 4.096 3.361 4.455 . 0 0 "[ . 1 . 2]" 1
290 1 37 TYR HB3 1 51 ALA MB . . 5.060 4.448 4.272 4.642 . 0 0 "[ . 1 . 2]" 1
291 1 37 TYR HB3 1 38 LYS HB2 . . 4.910 4.632 4.450 4.905 . 0 0 "[ . 1 . 2]" 1
292 1 23 TRP HZ3 1 76 LEU QB . . 4.620 7.206 6.855 7.433 2.813 18 20 [***************-*+**] 1
293 1 69 LEU QB 1 70 GLU H . . 4.410 2.449 2.348 2.611 . 0 0 "[ . 1 . 2]" 1
294 1 41 LEU QD 1 76 LEU QB . . 4.680 3.666 3.386 4.063 . 0 0 "[ . 1 . 2]" 1
295 1 20 TYR QB 1 76 LEU HA . . 5.500 4.336 4.092 4.637 . 0 0 "[ . 1 . 2]" 1
296 1 20 TYR QB 1 41 LEU HG . . 5.100 4.814 4.116 5.390 0.290 20 0 "[ . 1 . 2]" 1
297 1 20 TYR QB 1 41 LEU QD . . 4.640 2.141 1.864 2.535 . 0 0 "[ . 1 . 2]" 1
298 1 20 TYR QB 1 23 TRP HB2 . . 4.740 1.991 1.892 2.370 . 0 0 "[ . 1 . 2]" 1
299 1 20 TYR QB 1 25 LEU QD . . 5.030 6.445 5.828 6.956 1.926 20 20 [******-************+] 1
300 1 20 TYR QB 1 23 TRP HZ3 . . 3.970 7.039 6.856 7.225 3.255 14 20 [*******-*****+******] 1
301 1 14 VAL QG 1 20 TYR QB . . 4.390 3.640 3.378 3.801 . 0 0 "[ . 1 . 2]" 1
302 1 55 PHE QE 1 66 PHE QB . . 3.790 3.155 2.843 4.849 1.059 18 1 "[ . 1 . + 2]" 1
303 1 66 PHE QB 1 72 CYS QB . . 4.600 3.443 3.340 3.926 . 0 0 "[ . 1 . 2]" 1
304 1 55 PHE H 1 66 PHE QB . . 5.500 4.243 2.921 4.615 . 0 0 "[ . 1 . 2]" 1
305 1 66 PHE QB 1 68 ASP HA . . 5.500 5.155 4.254 5.264 . 0 0 "[ . 1 . 2]" 1
306 1 34 ASP QB 1 35 VAL MG2 . . 4.910 3.395 3.263 3.966 . 0 0 "[ . 1 . 2]" 1
307 1 16 SER H 1 17 ASN HB2 . . 5.290 4.494 4.227 4.794 . 0 0 "[ . 1 . 2]" 1
308 1 34 ASP QB 1 35 VAL H . . 5.290 3.707 3.677 3.782 . 0 0 "[ . 1 . 2]" 1
309 1 75 TYR QB 1 77 THR H . . 4.920 4.708 4.337 4.959 0.039 20 0 "[ . 1 . 2]" 1
310 1 23 TRP HZ2 1 75 TYR QB . . 5.500 4.270 3.559 4.552 . 0 0 "[ . 1 . 2]" 1
311 1 75 TYR QB 1 76 LEU QB . . 4.640 4.470 4.357 4.602 . 0 0 "[ . 1 . 2]" 1
312 1 52 ASP HB2 1 53 ASN H . . 3.940 3.007 2.342 3.687 . 0 0 "[ . 1 . 2]" 1
313 1 52 ASP HB2 1 54 LYS H . . 5.150 4.994 3.797 5.598 0.448 7 0 "[ . 1 . 2]" 1
314 1 51 ALA MB 1 52 ASP HB2 . . 5.500 3.509 3.200 4.669 . 0 0 "[ . 1 . 2]" 1
315 1 9 ALA H 1 10 PHE QB . . 5.500 4.761 4.617 4.941 . 0 0 "[ . 1 . 2]" 1
316 1 10 PHE H 1 10 PHE QB . . 3.450 2.333 2.282 2.438 . 0 0 "[ . 1 . 2]" 1
317 1 10 PHE QB 1 69 LEU QD . . 4.600 2.972 2.650 3.058 . 0 0 "[ . 1 . 2]" 1
318 1 13 ASN HB3 1 14 VAL QG . . 4.900 2.744 2.656 2.916 . 0 0 "[ . 1 . 2]" 1
319 1 13 ASN HB2 1 15 THR H . . 5.500 5.458 5.230 5.848 0.348 2 0 "[ . 1 . 2]" 1
320 1 13 ASN HB2 1 14 VAL QG . . 5.070 3.988 3.737 4.336 . 0 0 "[ . 1 . 2]" 1
321 1 7 GLU QB 1 53 ASN QB . . 3.670 5.985 5.062 6.627 2.957 8 20 [*******+*****-******] 1
322 1 53 ASN QB 1 69 LEU QD . . 5.290 7.629 6.609 8.253 2.963 5 20 [****+********-******] 1
323 1 11 ILE HB 1 14 VAL QG . . 5.500 5.451 5.097 5.540 0.040 20 0 "[ . 1 . 2]" 1
324 1 9 ALA H 1 11 ILE HB . . 5.500 4.899 4.693 5.118 . 0 0 "[ . 1 . 2]" 1
325 1 11 ILE HB 1 12 ASN QD . . 5.470 3.652 3.387 4.003 . 0 0 "[ . 1 . 2]" 1
326 1 8 THR HB 1 11 ILE HB . . 4.190 4.126 4.046 4.172 . 0 0 "[ . 1 . 2]" 1
327 1 10 PHE QB 1 11 ILE HB . . 5.120 5.702 5.633 5.812 0.692 18 20 [***********-*****+**] 1
328 1 60 ASN QB 1 61 ASP HA . . 5.500 4.697 4.454 5.062 . 0 0 "[ . 1 . 2]" 1
329 1 10 PHE H 1 12 ASN QB . . 5.020 5.056 4.901 5.147 0.127 5 0 "[ . 1 . 2]" 1
330 1 11 ILE HA 1 12 ASN QB . . 5.500 5.237 5.180 5.270 . 0 0 "[ . 1 . 2]" 1
331 1 11 ILE HB 1 12 ASN QB . . 4.790 4.297 4.232 4.421 . 0 0 "[ . 1 . 2]" 1
332 1 9 ALA MB 1 12 ASN QB . . 4.950 4.369 4.191 4.509 . 0 0 "[ . 1 . 2]" 1
333 1 30 LEU HA 1 31 ILE HB . . 4.940 4.567 4.379 4.685 . 0 0 "[ . 1 . 2]" 1
334 1 48 ILE HB 1 49 CYS H . . 5.500 4.370 4.290 4.447 . 0 0 "[ . 1 . 2]" 1
335 1 40 LEU H 1 48 ILE HB . . 3.960 4.014 3.722 4.205 0.245 19 0 "[ . 1 . 2]" 1
336 1 41 LEU HG 1 48 ILE HB . . 5.500 3.797 3.466 4.388 . 0 0 "[ . 1 . 2]" 1
337 1 40 LEU HB2 1 48 ILE HB . . 5.300 4.658 4.288 4.949 . 0 0 "[ . 1 . 2]" 1
338 1 41 LEU QD 1 48 ILE HB . . 5.410 3.554 3.301 3.801 . 0 0 "[ . 1 . 2]" 1
339 1 26 VAL HB 1 39 LYS QB . . 4.010 3.536 3.078 3.910 . 0 0 "[ . 1 . 2]" 1
340 1 59 LYS H 1 62 VAL HB . . 4.870 4.154 3.894 4.741 . 0 0 "[ . 1 . 2]" 1
341 1 51 ALA H 1 54 LYS QB . . 5.470 3.428 3.043 3.894 . 0 0 "[ . 1 . 2]" 1
342 1 58 VAL HA 1 62 VAL HB . . 5.420 5.542 5.028 6.203 0.783 13 4 "[ . - ** + . 2]" 1
343 1 62 VAL HB 1 63 ALA HA . . 5.500 5.068 4.672 5.833 0.333 13 0 "[ . 1 . 2]" 1
344 1 60 ASN QB 1 62 VAL HB . . 5.100 5.999 5.513 6.514 1.414 9 16 "[** *** *+******- **]" 1
345 1 59 LYS HB3 1 62 VAL H . . 5.500 4.371 3.026 5.245 . 0 0 "[ . 1 . 2]" 1
346 1 26 VAL HB 1 42 HIS HB3 . . 5.500 3.947 3.627 4.297 . 0 0 "[ . 1 . 2]" 1
347 1 42 HIS HB3 1 47 THR MG . . 5.500 3.899 2.940 4.475 . 0 0 "[ . 1 . 2]" 1
348 1 41 LEU HA 1 42 HIS HB2 . . 5.260 4.438 4.152 5.447 0.187 11 0 "[ . 1 . 2]" 1
349 1 26 VAL HB 1 42 HIS HB2 . . 5.500 4.135 3.720 5.351 . 0 0 "[ . 1 . 2]" 1
350 1 41 LEU HA 1 42 HIS HB3 . . 5.500 4.456 3.991 4.624 . 0 0 "[ . 1 . 2]" 1
351 1 26 VAL MG2 1 42 HIS HB3 . . 4.520 2.297 1.851 2.511 . 0 0 "[ . 1 . 2]" 1
352 1 39 LYS QB 1 39 LYS HE3 . . 4.970 2.726 2.006 3.568 . 0 0 "[ . 1 . 2]" 1
353 1 49 CYS HB3 1 50 TYR H . . 3.870 3.844 3.588 4.063 0.193 13 0 "[ . 1 . 2]" 1
354 1 38 LYS H 1 49 CYS HB3 . . 4.420 3.534 3.071 4.293 . 0 0 "[ . 1 . 2]" 1
355 1 37 TYR QD 1 49 CYS HB3 . . 4.940 3.799 3.566 4.317 . 0 0 "[ . 1 . 2]" 1
356 1 49 CYS HB3 1 58 VAL MG2 . . 5.500 4.514 4.042 4.721 . 0 0 "[ . 1 . 2]" 1
357 1 49 CYS HB2 1 50 TYR H . . 4.540 4.216 3.722 4.378 . 0 0 "[ . 1 . 2]" 1
358 1 49 CYS HB2 1 58 VAL MG2 . . 5.100 3.551 2.960 4.547 . 0 0 "[ . 1 . 2]" 1
359 1 31 ILE HA 1 32 VAL HB . . 4.990 4.653 4.457 4.808 . 0 0 "[ . 1 . 2]" 1
360 1 46 GLN H 1 46 GLN HG3 . . 4.460 3.551 2.570 4.033 . 0 0 "[ . 1 . 2]" 1
361 1 46 GLN HG3 1 59 LYS HG2 . . 5.500 3.764 2.614 5.478 . 0 0 "[ . 1 . 2]" 1
362 1 46 GLN HG3 1 57 VAL MG2 . . 5.500 3.798 3.249 4.312 . 0 0 "[ . 1 . 2]" 1
363 1 37 TYR QD 1 49 CYS HB2 . . 5.020 3.951 3.158 4.564 . 0 0 "[ . 1 . 2]" 1
364 1 4 GLN QB 1 8 THR MG . . 4.510 2.883 2.408 3.649 . 0 0 "[ . 1 . 2]" 1
365 1 46 GLN HG2 1 47 THR H . . 5.470 3.968 3.500 4.889 . 0 0 "[ . 1 . 2]" 1
366 1 46 GLN H 1 46 GLN HG2 . . 4.920 4.650 3.927 4.896 . 0 0 "[ . 1 . 2]" 1
367 1 46 GLN HA 1 46 GLN HG2 . . 4.190 3.130 2.839 3.646 . 0 0 "[ . 1 . 2]" 1
368 1 46 GLN HG2 1 59 LYS HA . . 5.500 3.040 2.015 4.521 . 0 0 "[ . 1 . 2]" 1
369 1 46 GLN HG2 1 59 LYS HB3 . . 5.150 4.277 3.048 5.277 0.127 1 0 "[ . 1 . 2]" 1
370 1 46 GLN HG2 1 59 LYS HG2 . . 5.430 3.319 2.004 5.398 . 0 0 "[ . 1 . 2]" 1
371 1 46 GLN HG2 1 57 VAL MG2 . . 5.500 2.522 1.917 3.037 . 0 0 "[ . 1 . 2]" 1
372 1 32 VAL HB 1 33 LYS H . . 5.220 4.091 3.990 4.318 . 0 0 "[ . 1 . 2]" 1
373 1 4 GLN QB 1 9 ALA MB . . 4.630 4.176 3.435 4.598 . 0 0 "[ . 1 . 2]" 1
374 1 57 VAL HB 1 58 VAL H . . 4.520 4.509 4.362 4.569 0.049 14 0 "[ . 1 . 2]" 1
375 1 57 VAL HB 1 64 LEU HB3 . . 5.500 4.837 4.759 5.004 . 0 0 "[ . 1 . 2]" 1
376 1 35 VAL HB 1 37 TYR QD . . 5.210 4.084 3.921 4.250 . 0 0 "[ . 1 . 2]" 1
377 1 47 THR H 1 58 VAL HB . . 4.380 3.505 2.939 3.925 . 0 0 "[ . 1 . 2]" 1
378 1 47 THR HB 1 58 VAL HB . . 3.510 2.523 2.034 2.858 . 0 0 "[ . 1 . 2]" 1
379 1 47 THR MG 1 58 VAL HB . . 4.460 4.046 3.718 4.331 . 0 0 "[ . 1 . 2]" 1
380 1 57 VAL MG2 1 58 VAL HB . . 5.500 4.818 4.608 5.017 . 0 0 "[ . 1 . 2]" 1
381 1 30 LEU QD 1 58 VAL HB . . 5.150 3.969 2.988 4.439 . 0 0 "[ . 1 . 2]" 1
382 1 57 VAL HA 1 58 VAL HB . . 4.700 4.588 4.527 4.657 . 0 0 "[ . 1 . 2]" 1
383 1 79 ARG HA 1 79 ARG HG2 . . 4.060 3.633 2.349 4.229 0.169 5 0 "[ . 1 . 2]" 1
384 1 6 PRO HB2 1 9 ALA MB . . 5.330 4.001 3.832 4.354 . 0 0 "[ . 1 . 2]" 1
385 1 6 PRO HB2 1 69 LEU QD . . 4.510 2.087 1.984 2.387 . 0 0 "[ . 1 . 2]" 1
386 1 38 LYS HB3 1 39 LYS H . . 4.920 3.680 3.594 3.768 . 0 0 "[ . 1 . 2]" 1
387 1 38 LYS HB3 1 38 LYS QZ . . 5.500 4.528 3.484 5.154 . 0 0 "[ . 1 . 2]" 1
388 1 38 LYS HB2 1 38 LYS QZ . . 5.470 4.332 3.454 5.157 . 0 0 "[ . 1 . 2]" 1
389 1 24 HIS QB 1 25 LEU HB2 . . 5.390 5.186 4.946 5.871 0.481 3 0 "[ . 1 . 2]" 1
390 1 38 LYS HB3 1 50 TYR H . . 5.410 4.096 3.979 4.198 . 0 0 "[ . 1 . 2]" 1
391 1 24 HIS QB 1 42 HIS HD1 . . 4.970 5.902 2.159 8.235 3.265 13 13 "[******* * +** *-]" 1
392 1 19 GLY HA3 1 24 HIS QB . . 4.920 4.405 4.078 5.027 0.107 17 0 "[ . 1 . 2]" 1
393 1 23 TRP HA 1 24 HIS QB . . 4.760 4.408 4.022 4.558 . 0 0 "[ . 1 . 2]" 1
394 1 24 HIS QB 1 42 HIS HB3 . . 5.070 3.996 3.082 4.954 . 0 0 "[ . 1 . 2]" 1
395 1 24 HIS QB 1 26 VAL MG1 . . 4.950 2.926 2.729 3.472 . 0 0 "[ . 1 . 2]" 1
396 1 46 GLN HB2 1 47 THR H . . 5.170 3.544 3.126 4.418 . 0 0 "[ . 1 . 2]" 1
397 1 46 GLN HB3 1 47 THR H . . 4.810 2.269 1.925 3.575 . 0 0 "[ . 1 . 2]" 1
398 1 14 VAL HB 1 15 THR HB . . 5.500 5.604 5.515 5.666 0.166 20 0 "[ . 1 . 2]" 1
399 1 14 VAL HB 1 40 LEU QD . . 4.180 5.911 5.383 6.140 1.960 13 20 [-***********+*******] 1
400 1 13 ASN H 1 14 VAL HB . . 5.480 5.388 5.226 5.451 . 0 0 "[ . 1 . 2]" 1
401 1 33 LYS HB2 1 35 VAL H . . 5.500 4.180 3.934 4.304 . 0 0 "[ . 1 . 2]" 1
402 1 33 LYS HB3 1 34 ASP H . . 4.640 4.129 4.098 4.159 . 0 0 "[ . 1 . 2]" 1
403 1 4 GLN QG 1 9 ALA H . . 4.480 4.512 2.991 4.818 0.338 6 0 "[ . 1 . 2]" 1
404 1 4 GLN QG 1 5 THR HB . . 5.500 5.064 4.419 5.747 0.247 8 0 "[ . 1 . 2]" 1
405 1 4 GLN QG 1 9 ALA MB . . 5.500 3.563 2.120 4.684 . 0 0 "[ . 1 . 2]" 1
406 1 4 GLN QG 1 8 THR MG . . 5.500 2.713 1.878 3.761 . 0 0 "[ . 1 . 2]" 1
407 1 73 ARG QB 1 76 LEU QD . . 5.500 4.922 3.559 5.241 . 0 0 "[ . 1 . 2]" 1
408 1 39 LYS H 1 39 LYS HD2 . . 5.150 4.781 4.273 5.044 . 0 0 "[ . 1 . 2]" 1
409 1 30 LEU QD 1 39 LYS HD2 . . 4.910 3.940 3.034 4.844 . 0 0 "[ . 1 . 2]" 1
410 1 28 GLY QA 1 39 LYS HD3 . . 5.470 4.098 2.347 5.237 . 0 0 "[ . 1 . 2]" 1
411 1 26 VAL MG2 1 39 LYS HD3 . . 4.860 4.582 4.270 5.305 0.445 11 0 "[ . 1 . 2]" 1
412 1 39 LYS H 1 39 LYS HD3 . . 5.120 4.604 3.578 5.128 0.008 7 0 "[ . 1 . 2]" 1
413 1 72 CYS H 1 73 ARG QB . . 5.500 4.640 4.457 5.000 . 0 0 "[ . 1 . 2]" 1
414 1 23 TRP HB2 1 24 HIS H . . 5.030 4.015 3.850 4.157 . 0 0 "[ . 1 . 2]" 1
415 1 23 TRP HB2 1 41 LEU QD . . 4.800 2.237 1.879 2.687 . 0 0 "[ . 1 . 2]" 1
416 1 41 LEU H 1 41 LEU HG . . 5.250 3.328 2.851 3.858 . 0 0 "[ . 1 . 2]" 1
417 1 20 TYR H 1 41 LEU HG . . 5.380 4.679 3.874 5.505 0.125 17 0 "[ . 1 . 2]" 1
418 1 25 LEU QD 1 41 LEU HG . . 4.630 4.271 3.635 4.896 0.266 1 0 "[ . 1 . 2]" 1
419 1 23 TRP HB3 1 43 TRP QB . . 5.210 3.523 3.262 3.729 . 0 0 "[ . 1 . 2]" 1
420 1 33 LYS H 1 33 LYS QD . . 5.250 4.602 4.218 4.993 . 0 0 "[ . 1 . 2]" 1
421 1 33 LYS HA 1 33 LYS QD . . 4.390 2.670 2.116 3.372 . 0 0 "[ . 1 . 2]" 1
422 1 33 LYS QD 1 34 ASP H . . 5.500 4.752 4.550 5.383 . 0 0 "[ . 1 . 2]" 1
423 1 33 LYS QD 1 35 VAL MG2 . . 5.190 3.684 2.900 4.339 . 0 0 "[ . 1 . 2]" 1
424 1 33 LYS HB2 1 33 LYS QD . . 3.680 3.368 3.184 3.497 . 0 0 "[ . 1 . 2]" 1
425 1 7 GLU QB 1 69 LEU QD . . 5.500 3.773 3.657 4.058 . 0 0 "[ . 1 . 2]" 1
426 1 38 LYS QD 1 39 LYS H . . 5.500 4.716 3.248 5.664 0.164 6 0 "[ . 1 . 2]" 1
427 1 38 LYS HA 1 38 LYS QD . . 4.090 3.134 2.044 3.998 . 0 0 "[ . 1 . 2]" 1
428 1 10 PHE QE 1 73 ARG HG2 . . 5.500 3.012 2.788 3.150 . 0 0 "[ . 1 . 2]" 1
429 1 31 ILE HG13 1 37 TYR H . . 5.500 3.795 3.633 4.283 . 0 0 "[ . 1 . 2]" 1
430 1 31 ILE H 1 31 ILE HG13 . . 4.510 2.792 2.495 4.150 . 0 0 "[ . 1 . 2]" 1
431 1 10 PHE QE 1 73 ARG HG3 . . 5.500 3.055 2.780 3.910 . 0 0 "[ . 1 . 2]" 1
432 1 70 GLU QB 1 71 ALA H . . 4.070 2.954 2.774 3.004 . 0 0 "[ . 1 . 2]" 1
433 1 69 LEU HG 1 70 GLU QB . . 3.350 5.997 5.787 6.114 2.764 13 20 [************+*****-*] 1
434 1 31 ILE HG12 1 36 CYS QB . . 4.850 2.295 2.031 3.733 . 0 0 "[ . 1 . 2]" 1
435 1 73 ARG H 1 73 ARG HG2 . . 4.330 3.561 3.328 3.834 . 0 0 "[ . 1 . 2]" 1
436 1 70 GLU HA 1 73 ARG HG2 . . 5.500 5.076 4.825 5.342 . 0 0 "[ . 1 . 2]" 1
437 1 73 ARG HG2 1 76 LEU QD . . 5.500 4.897 4.452 5.440 . 0 0 "[ . 1 . 2]" 1
438 1 73 ARG H 1 73 ARG HG3 . . 5.100 2.237 1.937 2.562 . 0 0 "[ . 1 . 2]" 1
439 1 73 ARG HG3 1 76 LEU QD . . 5.500 5.229 4.216 5.504 0.004 20 0 "[ . 1 . 2]" 1
440 1 38 LYS H 1 38 LYS QD . . 5.230 3.806 2.840 4.889 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU H 1 30 LEU HG . . 5.070 4.434 4.331 4.699 . 0 0 "[ . 1 . 2]" 1
442 1 30 LEU HG 1 31 ILE H . . 4.530 2.975 2.369 3.946 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU HG 1 31 ILE HA . . 5.500 4.123 3.912 4.777 . 0 0 "[ . 1 . 2]" 1
444 1 21 HIS QB 1 23 TRP HZ3 . . 5.020 9.770 9.539 10.446 5.426 11 20 [**********+****-****] 1
445 1 30 LEU HG 1 37 TYR QD . . 5.500 3.736 2.161 4.135 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU HG 1 37 TYR HB2 . . 5.050 4.352 3.511 4.671 . 0 0 "[ . 1 . 2]" 1
447 1 36 CYS QB 1 37 TYR H . . 4.680 3.654 3.431 3.937 . 0 0 "[ . 1 . 2]" 1
448 1 31 ILE HG13 1 36 CYS QB . . 4.640 3.450 2.725 3.872 . 0 0 "[ . 1 . 2]" 1
449 1 35 VAL MG1 1 36 CYS QB . . 5.500 4.649 4.386 4.963 . 0 0 "[ . 1 . 2]" 1
450 1 35 VAL HA 1 36 CYS QB . . 4.560 4.429 4.155 4.662 0.102 14 0 "[ . 1 . 2]" 1
451 1 31 ILE MG 1 36 CYS QB . . 4.760 3.301 2.912 4.307 . 0 0 "[ . 1 . 2]" 1
452 1 25 LEU HG 1 26 VAL H . . 4.440 4.502 3.528 4.759 0.319 6 0 "[ . 1 . 2]" 1
453 1 25 LEU HB3 1 25 LEU HG . . 2.890 2.570 2.476 2.597 . 0 0 "[ . 1 . 2]" 1
454 1 64 LEU HB2 1 64 LEU QD . . 3.270 2.068 2.002 2.157 . 0 0 "[ . 1 . 2]" 1
455 1 48 ILE H 1 48 ILE QG . . 4.540 2.295 2.147 2.397 . 0 0 "[ . 1 . 2]" 1
456 1 23 TRP HE3 1 48 ILE QG . . 5.500 2.507 2.316 2.714 . 0 0 "[ . 1 . 2]" 1
457 1 48 ILE QG 1 55 PHE QD . . 4.840 5.311 5.143 5.410 0.570 11 8 "[ -* * **+ * . * 2]" 1
458 1 18 GLY HA2 1 25 LEU HG . . 5.330 3.572 3.126 4.024 . 0 0 "[ . 1 . 2]" 1
459 1 48 ILE QG 1 76 LEU QD . . 5.500 2.098 1.921 2.517 . 0 0 "[ . 1 . 2]" 1
460 1 41 LEU QD 1 48 ILE QG . . 4.390 2.544 2.203 2.775 . 0 0 "[ . 1 . 2]" 1
461 1 69 LEU QD 1 70 GLU HG3 . . 5.500 4.460 4.121 4.933 . 0 0 "[ . 1 . 2]" 1
462 1 40 LEU QD 1 50 TYR QD . . 5.500 2.879 2.719 3.040 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU HG 1 48 ILE QG . . 5.500 3.910 3.649 4.265 . 0 0 "[ . 1 . 2]" 1
464 1 23 TRP HZ2 1 76 LEU QD . . 5.500 3.216 2.971 3.493 . 0 0 "[ . 1 . 2]" 1
465 1 39 LYS H 1 39 LYS QG . . 4.790 2.552 2.351 2.675 . 0 0 "[ . 1 . 2]" 1
466 1 15 THR H 1 40 LEU QD . . 5.210 4.706 4.308 5.226 0.016 19 0 "[ . 1 . 2]" 1
467 1 10 PHE QE 1 40 LEU QD . . 5.000 5.357 4.928 5.617 0.617 7 3 "[ -* . + 1 . 2]" 1
468 1 40 LEU H 1 41 LEU QD . . 5.500 5.260 5.045 5.677 0.177 13 0 "[ . 1 . 2]" 1
469 1 23 TRP HZ3 1 41 LEU QD . . 4.580 5.262 5.052 5.451 0.871 10 18 "[**-******+* *******]" 1
470 1 10 PHE HZ 1 41 LEU QD . . 5.130 5.592 5.190 5.932 0.802 17 5 "[ ** * 1 .-+ 2]" 1
471 1 41 LEU QD 1 76 LEU QD . . 4.230 2.110 1.844 2.773 . 0 0 "[ . 1 . 2]" 1
472 1 7 GLU H 1 69 LEU QD . . 5.500 3.255 3.107 3.380 . 0 0 "[ . 1 . 2]" 1
473 1 10 PHE H 1 69 LEU QD . . 5.500 3.747 3.034 4.016 . 0 0 "[ . 1 . 2]" 1
474 1 30 LEU QD 1 58 VAL MG2 . . 4.230 2.691 1.821 3.191 . 0 0 "[ . 1 . 2]" 1
475 1 30 LEU QD 1 37 TYR QD . . 5.500 2.428 1.950 3.002 . 0 0 "[ . 1 . 2]" 1
476 1 30 LEU HA 1 30 LEU QD . . 3.660 2.827 2.049 3.173 . 0 0 "[ . 1 . 2]" 1
477 1 30 LEU QD 1 47 THR HB . . 4.870 4.053 3.166 4.453 . 0 0 "[ . 1 . 2]" 1
478 1 30 LEU QD 1 39 LYS HE3 . . 4.900 4.786 4.403 5.639 0.739 16 2 "[ . 1- .+ 2]" 1
479 1 55 PHE QE 1 72 CYS QB . . 4.510 3.551 3.107 3.985 . 0 0 "[ . 1 . 2]" 1
480 1 70 GLU H 1 72 CYS QB . . 5.500 5.275 5.072 5.406 . 0 0 "[ . 1 . 2]" 1
481 1 69 LEU QB 1 72 CYS QB . . 4.820 4.619 4.204 4.780 . 0 0 "[ . 1 . 2]" 1
482 1 72 CYS QB 1 73 ARG QB . . 5.170 4.419 4.301 4.514 . 0 0 "[ . 1 . 2]" 1
483 1 55 PHE HB2 1 72 CYS QB . . 4.810 4.100 3.507 4.192 . 0 0 "[ . 1 . 2]" 1
484 1 71 ALA MB 1 72 CYS QB . . 4.920 3.726 3.651 3.827 . 0 0 "[ . 1 . 2]" 1
485 1 33 LYS HA 1 33 LYS QG . . 3.720 2.246 2.115 2.397 . 0 0 "[ . 1 . 2]" 1
486 1 33 LYS H 1 33 LYS QG . . 4.780 3.591 3.307 3.690 . 0 0 "[ . 1 . 2]" 1
487 1 64 LEU H 1 64 LEU HG . . 5.070 4.206 4.011 4.314 . 0 0 "[ . 1 . 2]" 1
488 1 64 LEU HG 1 65 PRO HD2 . . 5.500 4.168 3.929 4.331 . 0 0 "[ . 1 . 2]" 1
489 1 76 LEU HG 1 77 THR H . . 5.170 4.517 4.332 4.816 . 0 0 "[ . 1 . 2]" 1
490 1 23 TRP HZ3 1 76 LEU HG . . 4.990 7.300 6.661 7.996 3.006 20 20 [*******-***********+] 1
491 1 75 TYR QB 1 76 LEU HG . . 5.160 3.276 2.838 4.965 . 0 0 "[ . 1 . 2]" 1
492 1 48 ILE MD 1 76 LEU HG . . 5.500 3.653 3.238 4.453 . 0 0 "[ . 1 . 2]" 1
493 1 41 LEU QD 1 76 LEU HG . . 4.000 4.243 2.900 4.605 0.605 18 2 "[ . - 1 . + 2]" 1
494 1 54 LYS HG2 1 55 PHE H . . 5.500 4.553 3.660 4.949 . 0 0 "[ . 1 . 2]" 1
495 1 54 LYS H 1 54 LYS HG2 . . 4.940 3.551 1.772 4.639 . 0 0 "[ . 1 . 2]" 1
496 1 54 LYS HG3 1 55 PHE H . . 5.370 5.010 4.466 5.557 0.187 7 0 "[ . 1 . 2]" 1
497 1 54 LYS H 1 54 LYS HG3 . . 4.900 4.119 2.671 4.738 . 0 0 "[ . 1 . 2]" 1
498 1 38 LYS QG 1 39 LYS H . . 4.730 3.962 3.735 4.483 . 0 0 "[ . 1 . 2]" 1
499 1 38 LYS H 1 38 LYS QG . . 4.030 3.679 3.331 3.928 . 0 0 "[ . 1 . 2]" 1
500 1 29 ASP HA 1 38 LYS QG . . 5.500 4.145 3.661 4.594 . 0 0 "[ . 1 . 2]" 1
501 1 19 GLY H 1 25 LEU QD . . 4.300 4.025 3.223 4.434 0.134 8 0 "[ . 1 . 2]" 1
502 1 25 LEU HA 1 25 LEU QD . . 3.700 2.002 1.929 2.327 . 0 0 "[ . 1 . 2]" 1
503 1 18 GLY HA2 1 25 LEU QD . . 5.110 3.444 2.050 3.915 . 0 0 "[ . 1 . 2]" 1
504 1 14 VAL QG 1 25 LEU QD . . 3.460 5.640 4.931 5.860 2.400 20 20 [-******************+] 1
505 1 14 VAL QG 1 20 TYR QE . . 4.180 2.874 2.535 3.406 . 0 0 "[ . 1 . 2]" 1
506 1 14 VAL QG 1 15 THR HA . . 5.500 3.966 3.824 4.110 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU QD 1 32 VAL MG2 . . 3.590 1.957 1.769 2.786 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU QD 1 37 TYR HB2 . . 5.500 2.827 2.236 3.455 . 0 0 "[ . 1 . 2]" 1
509 1 26 VAL MG1 1 47 THR MG . . 5.170 4.786 4.365 5.037 . 0 0 "[ . 1 . 2]" 1
510 1 26 VAL H 1 26 VAL MG1 . . 4.100 3.108 2.923 3.288 . 0 0 "[ . 1 . 2]" 1
511 1 24 HIS HD2 1 26 VAL MG1 . . 5.150 4.685 2.083 5.223 0.073 9 0 "[ . 1 . 2]" 1
512 1 26 VAL MG1 1 41 LEU HA . . 5.310 3.620 3.330 3.881 . 0 0 "[ . 1 . 2]" 1
513 1 26 VAL MG1 1 42 HIS HB2 . . 4.160 3.074 2.756 3.901 . 0 0 "[ . 1 . 2]" 1
514 1 26 VAL MG1 1 42 HIS HB3 . . 4.030 2.171 1.898 2.781 . 0 0 "[ . 1 . 2]" 1
515 1 26 VAL MG1 1 39 LYS QB . . 4.500 4.337 4.091 4.480 . 0 0 "[ . 1 . 2]" 1
516 1 26 VAL MG1 1 42 HIS HD1 . . 5.140 4.138 1.881 5.351 0.211 6 0 "[ . 1 . 2]" 1
517 1 47 THR HB 1 58 VAL H . . 4.780 3.612 3.253 4.188 . 0 0 "[ . 1 . 2]" 1
518 1 47 THR HB 1 58 VAL MG2 . . 4.990 3.682 3.192 4.007 . 0 0 "[ . 1 . 2]" 1
519 1 47 THR HB 1 48 ILE H . . 5.360 4.105 3.911 4.243 . 0 0 "[ . 1 . 2]" 1
520 1 47 THR HB 1 57 VAL MG2 . . 5.500 5.060 4.753 5.456 . 0 0 "[ . 1 . 2]" 1
521 1 55 PHE HZ 1 64 LEU QD . . 5.500 6.096 5.968 6.292 0.792 18 18 "[ ****-** ********+**]" 1
522 1 39 LYS HA 1 47 THR MG . . 4.470 3.469 3.131 3.666 . 0 0 "[ . 1 . 2]" 1
523 1 42 HIS HB2 1 47 THR MG . . 5.080 2.660 1.995 3.205 . 0 0 "[ . 1 . 2]" 1
524 1 30 LEU QD 1 47 THR MG . . 3.910 3.438 2.585 3.868 . 0 0 "[ . 1 . 2]" 1
525 1 47 THR MG 1 48 ILE H . . 4.050 2.666 2.267 3.001 . 0 0 "[ . 1 . 2]" 1
526 1 47 THR MG 1 58 VAL MG2 . . 5.410 4.357 3.948 4.646 . 0 0 "[ . 1 . 2]" 1
527 1 8 THR MG 1 11 ILE MD . . 5.500 4.225 4.091 4.534 . 0 0 "[ . 1 . 2]" 1
528 1 8 THR MG 1 12 ASN H . . 5.450 4.557 4.357 4.830 . 0 0 "[ . 1 . 2]" 1
529 1 8 THR MG 1 9 ALA H . . 4.460 2.836 2.283 3.060 . 0 0 "[ . 1 . 2]" 1
530 1 8 THR HA 1 8 THR MG . . 3.460 3.195 3.178 3.207 . 0 0 "[ . 1 . 2]" 1
531 1 8 THR MG 1 9 ALA HA . . 4.730 3.529 3.368 3.661 . 0 0 "[ . 1 . 2]" 1
532 1 8 THR MG 1 12 ASN QB . . 5.150 4.265 3.993 4.656 . 0 0 "[ . 1 . 2]" 1
533 1 55 PHE QE 1 57 VAL MG2 . . 5.120 4.006 3.573 4.124 . 0 0 "[ . 1 . 2]" 1
534 1 46 GLN HB2 1 57 VAL MG2 . . 4.620 3.398 2.828 3.651 . 0 0 "[ . 1 . 2]" 1
535 1 46 GLN HB3 1 57 VAL MG2 . . 4.230 2.202 1.940 2.499 . 0 0 "[ . 1 . 2]" 1
536 1 73 ARG HA 1 77 THR MG . . 5.170 6.099 5.547 7.115 1.945 20 18 "[******-*** ****** *+]" 1
537 1 76 LEU QD 1 77 THR MG . . 5.500 5.328 4.951 5.683 0.183 9 0 "[ . 1 . 2]" 1
538 1 33 LYS HB2 1 35 VAL MG2 . . 3.380 3.496 3.109 3.779 0.399 8 0 "[ . 1 . 2]" 1
539 1 33 LYS QG 1 35 VAL MG2 . . 4.280 4.080 3.820 4.227 . 0 0 "[ . 1 . 2]" 1
540 1 58 VAL MG2 1 64 LEU H . . 4.900 4.048 3.524 4.528 . 0 0 "[ . 1 . 2]" 1
541 1 47 THR H 1 58 VAL MG2 . . 5.310 4.694 4.279 4.917 . 0 0 "[ . 1 . 2]" 1
542 1 56 TYR QB 1 58 VAL MG2 . . 5.150 3.292 3.020 3.610 . 0 0 "[ . 1 . 2]" 1
543 1 41 LEU QD 1 76 LEU H . . 5.140 6.169 5.919 6.567 1.427 8 20 [*******+**********-*] 1
544 1 41 LEU QD 1 76 LEU HA . . 4.040 4.995 4.800 5.299 1.259 8 20 [*******+****-*******] 1
545 1 41 LEU QD 1 48 ILE MG . . 4.510 3.172 2.743 3.569 . 0 0 "[ . 1 . 2]" 1
546 1 50 TYR QE 1 51 ALA MB . . 5.500 5.876 5.633 5.977 0.477 20 0 "[ . 1 . 2]" 1
547 1 51 ALA MB 1 52 ASP HB3 . . 5.500 4.441 3.830 4.825 . 0 0 "[ . 1 . 2]" 1
548 1 51 ALA MB 1 54 LYS H . . 5.500 2.826 2.518 3.055 . 0 0 "[ . 1 . 2]" 1
549 1 34 ASP H 1 35 VAL MG2 . . 5.500 4.186 3.872 4.340 . 0 0 "[ . 1 . 2]" 1
550 1 35 VAL MG2 1 37 TYR QD . . 5.200 5.089 4.975 5.249 0.049 6 0 "[ . 1 . 2]" 1
551 1 38 LYS H 1 51 ALA MB . . 4.790 4.744 4.578 4.897 0.107 18 0 "[ . 1 . 2]" 1
552 1 62 VAL MG1 1 64 LEU QD . . 4.930 3.693 2.978 4.019 . 0 0 "[ . 1 . 2]" 1
553 1 62 VAL MG1 1 64 LEU H . . 5.500 4.980 4.887 5.217 . 0 0 "[ . 1 . 2]" 1
554 1 62 VAL MG1 1 63 ALA H . . 4.060 2.292 1.917 3.351 . 0 0 "[ . 1 . 2]" 1
555 1 62 VAL MG1 1 64 LEU HA . . 5.460 4.660 4.429 5.212 . 0 0 "[ . 1 . 2]" 1
556 1 12 ASN QD 1 14 VAL QG . . 5.500 6.603 6.402 6.806 1.306 8 20 [-******+************] 1
557 1 11 ILE HA 1 14 VAL QG . . 4.180 3.099 2.666 3.222 . 0 0 "[ . 1 . 2]" 1
558 1 77 THR H 1 77 THR HB . . 3.530 3.072 2.730 3.317 . 0 0 "[ . 1 . 2]" 1
559 1 32 VAL MG2 1 33 LYS H . . 5.040 3.811 2.523 4.017 . 0 0 "[ . 1 . 2]" 1
560 1 32 VAL H 1 32 VAL MG2 . . 4.230 3.065 2.756 3.786 . 0 0 "[ . 1 . 2]" 1
561 1 32 VAL MG2 1 37 TYR QD . . 4.330 3.266 3.025 4.967 0.637 15 2 "[ . 1 +- 2]" 1
562 1 32 VAL HA 1 32 VAL MG2 . . 3.700 2.310 2.023 2.409 . 0 0 "[ . 1 . 2]" 1
563 1 30 LEU QB 1 32 VAL MG2 . . 4.950 3.950 3.537 5.360 0.410 16 0 "[ . 1 . 2]" 1
564 1 30 LEU HG 1 32 VAL MG2 . . 4.010 2.314 1.926 3.984 . 0 0 "[ . 1 . 2]" 1
565 1 58 VAL MG1 1 63 ALA HA . . 4.540 3.643 3.272 4.060 . 0 0 "[ . 1 . 2]" 1
566 1 47 THR HB 1 58 VAL MG1 . . 4.970 3.750 3.376 4.043 . 0 0 "[ . 1 . 2]" 1
567 1 15 THR HB 1 16 SER QB . . 5.500 4.008 3.924 4.125 . 0 0 "[ . 1 . 2]" 1
568 1 8 THR HA 1 9 ALA MB . . 4.930 4.829 4.794 4.929 . 0 0 "[ . 1 . 2]" 1
569 1 14 VAL QG 1 15 THR HB . . 5.500 5.366 5.269 5.410 . 0 0 "[ . 1 . 2]" 1
570 1 8 THR HA 1 12 ASN QD . . 5.500 3.894 3.826 4.056 . 0 0 "[ . 1 . 2]" 1
571 1 26 VAL MG2 1 40 LEU H . . 4.950 4.264 4.108 4.530 . 0 0 "[ . 1 . 2]" 1
572 1 26 VAL MG2 1 39 LYS HE2 . . 5.500 3.645 2.379 4.706 . 0 0 "[ . 1 . 2]" 1
573 1 26 VAL MG2 1 41 LEU H . . 4.810 3.262 3.072 3.600 . 0 0 "[ . 1 . 2]" 1
574 1 26 VAL MG2 1 41 LEU HA . . 4.440 2.328 2.036 2.681 . 0 0 "[ . 1 . 2]" 1
575 1 25 LEU HA 1 26 VAL MG2 . . 4.780 3.832 3.602 3.963 . 0 0 "[ . 1 . 2]" 1
576 1 26 VAL MG2 1 42 HIS HB2 . . 4.210 2.168 1.886 3.468 . 0 0 "[ . 1 . 2]" 1
577 1 26 VAL MG2 1 39 LYS QB . . 3.550 2.085 1.951 2.293 . 0 0 "[ . 1 . 2]" 1
578 1 26 VAL MG2 1 47 THR MG . . 4.270 3.485 3.029 3.775 . 0 0 "[ . 1 . 2]" 1
579 1 63 ALA H 1 63 ALA MB . . 3.480 2.275 2.062 2.403 . 0 0 "[ . 1 . 2]" 1
580 1 58 VAL HA 1 63 ALA MB . . 5.160 3.957 3.711 4.128 . 0 0 "[ . 1 . 2]" 1
581 1 62 VAL HA 1 63 ALA MB . . 4.410 3.954 3.913 3.986 . 0 0 "[ . 1 . 2]" 1
582 1 56 TYR QB 1 63 ALA MB . . 4.160 3.434 2.813 3.748 . 0 0 "[ . 1 . 2]" 1
583 1 58 VAL MG2 1 63 ALA MB . . 3.840 3.078 2.491 3.628 . 0 0 "[ . 1 . 2]" 1
584 1 57 VAL MG1 1 58 VAL H . . 5.470 4.193 4.147 4.252 . 0 0 "[ . 1 . 2]" 1
585 1 55 PHE QE 1 57 VAL MG1 . . 4.600 3.385 3.086 3.663 . 0 0 "[ . 1 . 2]" 1
586 1 57 VAL MG1 1 64 LEU HB2 . . 3.990 2.114 1.967 2.370 . 0 0 "[ . 1 . 2]" 1
587 1 57 VAL MG1 1 64 LEU HB3 . . 4.410 2.080 1.937 2.288 . 0 0 "[ . 1 . 2]" 1
588 1 57 VAL MG1 1 64 LEU HG . . 5.170 4.111 3.935 4.267 . 0 0 "[ . 1 . 2]" 1
589 1 68 ASP HA 1 71 ALA MB . . 5.420 4.272 4.188 4.650 . 0 0 "[ . 1 . 2]" 1
590 1 70 GLU QB 1 71 ALA MB . . 4.280 3.916 3.784 3.959 . 0 0 "[ . 1 . 2]" 1
591 1 67 SER H 1 71 ALA MB . . 5.330 2.293 2.152 2.677 . 0 0 "[ . 1 . 2]" 1
592 1 69 LEU H 1 71 ALA MB . . 5.500 4.848 4.793 5.155 . 0 0 "[ . 1 . 2]" 1
593 1 70 GLU H 1 71 ALA MB . . 4.720 4.382 4.340 4.510 . 0 0 "[ . 1 . 2]" 1
594 1 66 PHE HA 1 71 ALA MB . . 4.630 3.306 3.055 3.537 . 0 0 "[ . 1 . 2]" 1
595 1 67 SER HB2 1 71 ALA MB . . 4.620 3.419 2.968 4.376 . 0 0 "[ . 1 . 2]" 1
596 1 66 PHE QB 1 71 ALA MB . . 3.930 2.161 2.007 2.445 . 0 0 "[ . 1 . 2]" 1
597 1 8 THR HB 1 12 ASN H . . 5.060 5.245 5.169 5.312 0.252 18 0 "[ . 1 . 2]" 1
598 1 7 GLU QB 1 8 THR HB . . 5.360 3.916 3.819 4.138 . 0 0 "[ . 1 . 2]" 1
599 1 8 THR H 1 8 THR HB . . 3.590 2.904 2.739 3.275 . 0 0 "[ . 1 . 2]" 1
600 1 27 SER QB 1 28 GLY H . . 3.780 3.970 3.803 4.039 0.259 7 0 "[ . 1 . 2]" 1
601 1 26 VAL HA 1 27 SER QB . . 4.640 4.152 3.734 4.440 . 0 0 "[ . 1 . 2]" 1
602 1 26 VAL HB 1 27 SER QB . . 5.500 4.759 4.486 4.946 . 0 0 "[ . 1 . 2]" 1
603 1 26 VAL MG2 1 27 SER QB . . 5.500 4.322 4.042 4.596 . 0 0 "[ . 1 . 2]" 1
604 1 11 ILE HA 1 14 VAL H . . 3.900 3.520 3.386 3.566 . 0 0 "[ . 1 . 2]" 1
605 1 11 ILE HA 1 15 THR H . . 3.720 4.226 4.156 4.333 0.613 20 10 "[* *** - 1 ** . **+]" 1
606 1 11 ILE HA 1 12 ASN QD . . 4.900 5.737 5.516 6.035 1.135 8 20 [*******+-***********] 1
607 1 10 PHE QB 1 11 ILE HA . . 5.070 4.613 4.576 4.702 . 0 0 "[ . 1 . 2]" 1
608 1 11 ILE HA 1 14 VAL HB . . 3.530 3.784 3.325 3.952 0.422 14 0 "[ . 1 . 2]" 1
609 1 10 PHE HA 1 11 ILE HA . . 5.470 4.730 4.640 4.778 . 0 0 "[ . 1 . 2]" 1
610 1 7 GLU H 1 9 ALA MB . . 5.500 4.211 3.950 4.559 . 0 0 "[ . 1 . 2]" 1
611 1 61 ASP H 1 62 VAL MG2 . . 5.500 3.366 2.728 5.052 . 0 0 "[ . 1 . 2]" 1
612 1 9 ALA MB 1 10 PHE H . . 3.730 2.467 2.072 2.765 . 0 0 "[ . 1 . 2]" 1
613 1 9 ALA MB 1 12 ASN QD . . 5.500 4.897 4.688 5.029 . 0 0 "[ . 1 . 2]" 1
614 1 9 ALA MB 1 10 PHE QB . . 4.850 3.666 3.498 3.793 . 0 0 "[ . 1 . 2]" 1
615 1 74 ALA MB 1 75 TYR QB . . 4.960 4.354 4.308 4.478 . 0 0 "[ . 1 . 2]" 1
616 1 11 ILE HA 1 14 VAL HA . . 5.500 5.981 5.656 6.062 0.562 14 11 "[ ***** *1** +.*- 2]" 1
617 1 9 ALA MB 1 69 LEU QD . . 5.500 3.488 3.231 4.178 . 0 0 "[ . 1 . 2]" 1
618 1 9 ALA MB 1 11 ILE MD . . 5.500 5.483 5.282 5.776 0.276 18 0 "[ . 1 . 2]" 1
619 1 71 ALA MB 1 74 ALA MB . . 5.090 4.117 3.683 4.255 . 0 0 "[ . 1 . 2]" 1
620 1 14 VAL HA 1 16 SER H . . 4.900 3.860 3.588 4.283 . 0 0 "[ . 1 . 2]" 1
621 1 14 VAL HA 1 17 ASN HD21 . . 5.450 2.384 2.100 3.123 . 0 0 "[ . 1 . 2]" 1
622 1 14 VAL HA 1 17 ASN HD22 . . 5.190 3.417 2.891 3.893 . 0 0 "[ . 1 . 2]" 1
623 1 14 VAL HA 1 17 ASN HB2 . . 3.420 2.904 2.625 3.191 . 0 0 "[ . 1 . 2]" 1
624 1 14 VAL HA 1 25 LEU QD . . 5.250 7.032 6.064 7.382 2.132 13 20 [-***********+*******] 1
625 1 14 VAL HA 1 14 VAL QG . . 3.250 2.076 2.006 2.133 . 0 0 "[ . 1 . 2]" 1
626 1 31 ILE MD 1 33 LYS H . . 5.200 7.379 7.018 7.683 2.483 16 20 [***************+-***] 1
627 1 31 ILE MD 1 37 TYR H . . 5.500 4.866 2.626 5.093 . 0 0 "[ . 1 . 2]" 1
628 1 31 ILE MD 1 32 VAL H . . 3.800 5.270 3.985 5.629 1.829 15 19 "[***-**********+* ***]" 1
629 1 31 ILE MD 1 34 ASP QB . . 5.360 6.852 6.227 7.052 1.692 17 20 [**********-*****+***] 1
630 1 31 ILE MD 1 36 CYS QB . . 5.500 3.061 2.375 3.544 . 0 0 "[ . 1 . 2]" 1
631 1 31 ILE HB 1 31 ILE MD . . 3.290 2.329 2.177 2.553 . 0 0 "[ . 1 . 2]" 1
632 1 31 ILE MD 1 31 ILE MG . . 3.740 2.195 1.923 3.233 . 0 0 "[ . 1 . 2]" 1
633 1 6 PRO HA 1 9 ALA H . . 4.040 3.282 3.042 3.479 . 0 0 "[ . 1 . 2]" 1
634 1 6 PRO HA 1 9 ALA MB . . 3.480 2.010 1.883 2.164 . 0 0 "[ . 1 . 2]" 1
635 1 6 PRO HA 1 8 THR MG . . 5.500 4.696 4.260 4.934 . 0 0 "[ . 1 . 2]" 1
636 1 6 PRO HA 1 69 LEU QD . . 4.870 3.451 3.301 3.577 . 0 0 "[ . 1 . 2]" 1
637 1 9 ALA H 1 11 ILE MD . . 5.500 4.549 4.347 4.959 . 0 0 "[ . 1 . 2]" 1
638 1 11 ILE MD 1 12 ASN QB . . 5.500 5.561 5.459 5.866 0.366 18 0 "[ . 1 . 2]" 1
639 1 11 ILE MD 1 14 VAL QG . . 4.980 5.600 5.209 5.694 0.714 6 17 "[ ****+***1******- **]" 1
640 1 10 PHE H 1 11 ILE MD . . 4.290 4.643 4.394 4.972 0.682 18 3 "[ - 1 . *+ 2]" 1
641 1 11 ILE MD 1 12 ASN QD . . 5.500 4.625 4.331 4.942 . 0 0 "[ . 1 . 2]" 1
642 1 8 THR HB 1 11 ILE MD . . 4.880 3.231 3.027 3.585 . 0 0 "[ . 1 . 2]" 1
643 1 11 ILE HB 1 11 ILE MD . . 3.450 2.184 2.133 2.403 . 0 0 "[ . 1 . 2]" 1
644 1 77 THR HA 1 78 SER HA . . 5.070 4.474 4.411 4.717 . 0 0 "[ . 1 . 2]" 1
645 1 76 LEU H 1 77 THR HA . . 5.270 4.771 4.636 5.211 . 0 0 "[ . 1 . 2]" 1
646 1 77 THR HA 1 78 SER H . . 3.330 3.214 3.057 3.430 0.100 9 0 "[ . 1 . 2]" 1
647 1 76 LEU QB 1 77 THR HA . . 5.220 4.193 3.877 4.347 . 0 0 "[ . 1 . 2]" 1
648 1 77 THR HA 1 77 THR MG . . 3.380 2.178 1.978 2.286 . 0 0 "[ . 1 . 2]" 1
649 1 13 ASN HA 1 16 SER QB . . 3.670 3.963 3.618 4.143 0.473 19 0 "[ . 1 . 2]" 1
650 1 16 SER QB 1 17 ASN HA . . 5.480 4.271 4.195 4.366 . 0 0 "[ . 1 . 2]" 1
651 1 7 GLU HA 1 9 ALA H . . 4.900 3.975 3.813 4.641 . 0 0 "[ . 1 . 2]" 1
652 1 7 GLU HA 1 53 ASN QB . . 3.800 8.502 7.315 9.110 5.310 8 20 [*******+*****-******] 1
653 1 7 GLU HA 1 69 LEU QD . . 3.860 2.039 1.889 2.325 . 0 0 "[ . 1 . 2]" 1
654 1 65 PRO HA 1 66 PHE HA . . 5.500 4.405 4.381 4.424 . 0 0 "[ . 1 . 2]" 1
655 1 65 PRO HA 1 66 PHE QB . . 4.660 4.222 4.191 4.240 . 0 0 "[ . 1 . 2]" 1
656 1 64 LEU HB3 1 65 PRO HA . . 5.500 4.935 4.919 4.969 . 0 0 "[ . 1 . 2]" 1
657 1 63 ALA MB 1 65 PRO HA . . 5.500 4.972 4.848 5.055 . 0 0 "[ . 1 . 2]" 1
658 1 57 VAL MG1 1 65 PRO HA . . 5.500 4.722 4.493 4.898 . 0 0 "[ . 1 . 2]" 1
659 1 35 VAL HA 1 36 CYS HA . . 4.940 4.574 4.560 4.604 . 0 0 "[ . 1 . 2]" 1
660 1 35 VAL HA 1 35 VAL MG2 . . 3.480 2.375 2.313 2.444 . 0 0 "[ . 1 . 2]" 1
661 1 35 VAL HA 1 35 VAL MG1 . . 3.550 2.356 2.242 2.396 . 0 0 "[ . 1 . 2]" 1
662 1 44 SER QB 1 45 GLY H . . 5.500 3.220 1.930 3.948 . 0 0 "[ . 1 . 2]" 1
663 1 43 TRP HH2 1 44 SER QB . . 5.280 6.106 4.490 8.032 2.752 9 14 "[** ** * +*****. **-2]" 1
664 1 32 VAL HA 1 33 LYS H . . 3.020 2.185 2.140 2.244 . 0 0 "[ . 1 . 2]" 1
665 1 16 SER HA 1 17 ASN HA . . 4.770 4.604 4.526 4.655 . 0 0 "[ . 1 . 2]" 1
666 1 62 VAL HA 1 63 ALA H . . 2.700 2.290 2.152 2.424 . 0 0 "[ . 1 . 2]" 1
667 1 62 VAL HA 1 62 VAL MG1 . . 3.330 2.426 2.165 3.193 . 0 0 "[ . 1 . 2]" 1
668 1 75 TYR HA 1 77 THR H . . 4.260 4.135 3.863 4.881 0.621 19 1 "[ . 1 . +2]" 1
669 1 74 ALA MB 1 75 TYR HA . . 4.760 4.047 3.982 4.115 . 0 0 "[ . 1 . 2]" 1
670 1 67 SER HA 1 68 ASP HA . . 4.920 4.571 4.559 4.625 . 0 0 "[ . 1 . 2]" 1
671 1 67 SER HA 1 67 SER HB2 . . 2.830 2.779 2.324 2.978 0.148 6 0 "[ . 1 . 2]" 1
672 1 67 SER HA 1 71 ALA MB . . 5.500 4.549 4.408 4.954 . 0 0 "[ . 1 . 2]" 1
673 1 10 PHE HA 1 13 ASN H . . 3.900 3.808 3.681 4.013 0.113 18 0 "[ . 1 . 2]" 1
674 1 10 PHE HA 1 12 ASN QD . . 5.450 6.567 6.338 6.699 1.249 8 20 [*******+***********-] 1
675 1 10 PHE HA 1 20 TYR QE . . 5.500 6.005 5.628 6.643 1.143 20 9 "[* *- * 1** . * *+]" 1
676 1 10 PHE HA 1 10 PHE QE . . 4.910 5.593 5.561 5.611 0.701 19 20 [***********-******+*] 1
677 1 10 PHE HA 1 13 ASN HB2 . . 3.630 3.324 2.932 3.995 0.365 19 0 "[ . 1 . 2]" 1
678 1 9 ALA MB 1 10 PHE HA . . 4.850 3.797 3.662 3.916 . 0 0 "[ . 1 . 2]" 1
679 1 10 PHE HA 1 14 VAL QG . . 4.600 4.896 4.735 5.026 0.426 18 0 "[ . 1 . 2]" 1
680 1 75 TYR HA 1 76 LEU HA . . 4.770 4.563 4.505 4.741 . 0 0 "[ . 1 . 2]" 1
681 1 46 GLN H 1 47 THR HA . . 4.660 4.826 4.697 5.324 0.664 6 2 "[ .+ 1 - 2]" 1
682 1 47 THR HA 1 48 ILE QG . . 5.400 3.723 3.528 3.825 . 0 0 "[ . 1 . 2]" 1
683 1 47 THR HA 1 47 THR MG . . 3.680 2.283 2.137 2.376 . 0 0 "[ . 1 . 2]" 1
684 1 47 THR HA 1 48 ILE H . . 3.090 2.153 2.141 2.195 . 0 0 "[ . 1 . 2]" 1
685 1 47 THR HA 1 48 ILE HB . . 4.670 4.637 4.588 4.681 0.011 8 0 "[ . 1 . 2]" 1
686 1 26 VAL MG2 1 42 HIS HA . . 5.180 3.544 3.417 3.711 . 0 0 "[ . 1 . 2]" 1
687 1 10 PHE HA 1 14 VAL H . . 4.700 5.415 5.294 5.573 0.873 18 20 [************-****+**] 1
688 1 58 VAL HA 1 63 ALA H . . 5.470 4.852 4.578 5.137 . 0 0 "[ . 1 . 2]" 1
689 1 58 VAL HA 1 62 VAL H . . 4.650 4.280 4.072 4.463 . 0 0 "[ . 1 . 2]" 1
690 1 58 VAL HA 1 58 VAL MG1 . . 3.580 2.401 2.360 2.449 . 0 0 "[ . 1 . 2]" 1
691 1 4 GLN HA 1 5 THR HA . . 4.520 4.353 4.305 4.470 . 0 0 "[ . 1 . 2]" 1
692 1 72 CYS HA 1 75 TYR H . . 3.900 3.536 3.285 4.146 0.246 19 0 "[ . 1 . 2]" 1
693 1 55 PHE QE 1 72 CYS HA . . 3.900 2.277 1.967 2.724 . 0 0 "[ . 1 . 2]" 1
694 1 69 LEU HA 1 72 CYS HA . . 5.230 5.489 5.127 5.647 0.417 17 0 "[ . 1 . 2]" 1
695 1 72 CYS HA 1 75 TYR QB . . 3.730 2.319 2.112 3.036 . 0 0 "[ . 1 . 2]" 1
696 1 31 ILE MG 1 37 TYR H . . 5.500 4.285 4.055 4.846 . 0 0 "[ . 1 . 2]" 1
697 1 31 ILE H 1 31 ILE MG . . 4.470 3.775 3.625 3.813 . 0 0 "[ . 1 . 2]" 1
698 1 31 ILE MG 1 36 CYS H . . 5.500 3.361 3.099 4.270 . 0 0 "[ . 1 . 2]" 1
699 1 31 ILE MG 1 34 ASP HA . . 5.500 2.986 2.622 3.110 . 0 0 "[ . 1 . 2]" 1
700 1 31 ILE HG12 1 31 ILE MG . . 3.720 2.260 2.169 2.442 . 0 0 "[ . 1 . 2]" 1
701 1 31 ILE HG13 1 31 ILE MG . . 3.740 3.128 2.320 3.185 . 0 0 "[ . 1 . 2]" 1
702 1 5 THR HA 1 7 GLU H . . 4.660 4.233 4.096 4.525 . 0 0 "[ . 1 . 2]" 1
703 1 31 ILE MG 1 34 ASP H . . 5.500 3.158 2.807 3.255 . 0 0 "[ . 1 . 2]" 1
704 1 73 ARG HA 1 75 TYR QB . . 5.390 4.842 4.517 5.049 . 0 0 "[ . 1 . 2]" 1
705 1 73 ARG HA 1 73 ARG HD2 . . 4.730 4.708 4.131 5.027 0.297 19 0 "[ . 1 . 2]" 1
706 1 73 ARG HA 1 77 THR H . . 4.700 4.913 4.422 5.287 0.587 4 4 "[ +.- * 1 .* 2]" 1
707 1 73 ARG HA 1 75 TYR H . . 4.900 3.656 3.403 3.781 . 0 0 "[ . 1 . 2]" 1
708 1 73 ARG HA 1 76 LEU QB . . 3.710 3.804 3.515 4.310 0.600 19 1 "[ . 1 . +2]" 1
709 1 73 ARG HA 1 73 ARG HG2 . . 3.680 2.679 2.388 3.167 . 0 0 "[ . 1 . 2]" 1
710 1 73 ARG HA 1 73 ARG HG3 . . 3.700 2.919 2.777 3.173 . 0 0 "[ . 1 . 2]" 1
711 1 73 ARG HA 1 76 LEU QD . . 3.750 3.436 2.167 3.696 . 0 0 "[ . 1 . 2]" 1
712 1 26 VAL HA 1 27 SER H . . 2.700 2.635 2.575 2.699 . 0 0 "[ . 1 . 2]" 1
713 1 26 VAL HA 1 26 VAL MG1 . . 3.340 2.267 2.156 2.390 . 0 0 "[ . 1 . 2]" 1
714 1 31 ILE HA 1 37 TYR H . . 3.970 2.552 2.422 2.918 . 0 0 "[ . 1 . 2]" 1
715 1 31 ILE HA 1 36 CYS H . . 4.820 4.238 3.722 4.486 . 0 0 "[ . 1 . 2]" 1
716 1 31 ILE HA 1 35 VAL H . . 4.730 4.360 3.685 4.656 . 0 0 "[ . 1 . 2]" 1
717 1 31 ILE HA 1 37 TYR HB2 . . 5.430 4.258 3.994 4.820 . 0 0 "[ . 1 . 2]" 1
718 1 31 ILE HA 1 36 CYS QB . . 4.660 3.942 3.611 4.317 . 0 0 "[ . 1 . 2]" 1
719 1 31 ILE HA 1 31 ILE HG12 . . 4.070 2.726 2.555 3.607 . 0 0 "[ . 1 . 2]" 1
720 1 31 ILE HA 1 31 ILE HG13 . . 3.920 2.737 2.563 2.994 . 0 0 "[ . 1 . 2]" 1
721 1 31 ILE HA 1 31 ILE MD . . 3.590 3.767 2.088 3.868 0.278 4 0 "[ . 1 . 2]" 1
722 1 31 ILE HA 1 34 ASP H . . 5.500 5.343 4.887 5.539 0.039 3 0 "[ . 1 . 2]" 1
723 1 78 SER HA 1 79 ARG HA . . 4.330 4.710 4.596 4.902 0.572 8 3 "[ - . +*1 . 2]" 1
724 1 70 GLU HA 1 73 ARG H . . 3.660 3.648 3.593 3.787 0.127 18 0 "[ . 1 . 2]" 1
725 1 70 GLU HA 1 72 CYS H . . 4.900 4.498 4.371 4.614 . 0 0 "[ . 1 . 2]" 1
726 1 70 GLU HA 1 71 ALA HA . . 4.920 4.744 4.721 4.792 . 0 0 "[ . 1 . 2]" 1
727 1 69 LEU HG 1 70 GLU HA . . 3.570 4.962 4.698 5.127 1.557 13 20 [************+*****-*] 1
728 1 70 GLU HA 1 73 ARG QB . . 3.500 2.837 2.664 3.176 . 0 0 "[ . 1 . 2]" 1
729 1 69 LEU QD 1 70 GLU HA . . 4.540 3.706 3.557 3.910 . 0 0 "[ . 1 . 2]" 1
730 1 78 SER HA 1 78 SER HB2 . . 2.770 2.697 2.359 2.935 0.165 11 0 "[ . 1 . 2]" 1
731 1 77 THR MG 1 78 SER HA . . 4.970 4.627 4.009 4.949 . 0 0 "[ . 1 . 2]" 1
732 1 48 ILE QG 1 57 VAL HA . . 5.420 4.791 4.617 5.207 . 0 0 "[ . 1 . 2]" 1
733 1 49 CYS H 1 57 VAL HA . . 4.100 3.196 3.008 3.511 . 0 0 "[ . 1 . 2]" 1
734 1 57 VAL HA 1 58 VAL H . . 2.700 2.271 2.154 2.332 . 0 0 "[ . 1 . 2]" 1
735 1 48 ILE HA 1 57 VAL HA . . 3.480 2.831 2.674 3.104 . 0 0 "[ . 1 . 2]" 1
736 1 57 VAL HA 1 57 VAL MG2 . . 3.540 2.389 2.364 2.417 . 0 0 "[ . 1 . 2]" 1
737 1 48 ILE MD 1 57 VAL HA . . 3.960 2.981 2.798 3.518 . 0 0 "[ . 1 . 2]" 1
738 1 20 TYR HA 1 21 HIS HA . . 4.850 4.351 4.312 4.467 . 0 0 "[ . 1 . 2]" 1
739 1 20 TYR HA 1 21 HIS QB . . 4.650 4.692 3.926 4.880 0.230 6 0 "[ . 1 . 2]" 1
740 1 14 VAL QG 1 20 TYR HA . . 4.810 1.930 1.866 1.971 . 0 0 "[ . 1 . 2]" 1
741 1 39 LYS HA 1 50 TYR H . . 4.820 4.384 4.200 4.668 . 0 0 "[ . 1 . 2]" 1
742 1 39 LYS HA 1 49 CYS HB3 . . 4.090 3.942 3.489 4.077 . 0 0 "[ . 1 . 2]" 1
743 1 39 LYS HA 1 49 CYS HB2 . . 4.590 5.035 4.682 5.115 0.525 12 4 "[ . 1 +-*. *]" 1
744 1 39 LYS HA 1 39 LYS QG . . 3.710 2.358 2.227 2.442 . 0 0 "[ . 1 . 2]" 1
745 1 26 VAL MG2 1 39 LYS HA . . 4.820 3.791 3.631 3.906 . 0 0 "[ . 1 . 2]" 1
746 1 20 TYR HA 1 22 SER H . . 5.500 5.203 4.425 5.429 . 0 0 "[ . 1 . 2]" 1
747 1 48 ILE HA 1 58 VAL H . . 4.110 4.206 3.927 4.392 0.282 18 0 "[ . 1 . 2]" 1
748 1 47 THR HA 1 48 ILE HA . . 5.160 4.382 4.360 4.420 . 0 0 "[ . 1 . 2]" 1
749 1 47 THR MG 1 48 ILE HA . . 5.400 4.218 3.932 4.537 . 0 0 "[ . 1 . 2]" 1
750 1 48 ILE HA 1 48 ILE MG . . 3.720 2.334 2.298 2.365 . 0 0 "[ . 1 . 2]" 1
751 1 36 CYS HA 1 37 TYR H . . 2.700 2.150 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
752 1 36 CYS HA 1 37 TYR QD . . 4.390 4.300 4.100 4.425 0.035 16 0 "[ . 1 . 2]" 1
753 1 31 ILE HA 1 36 CYS HA . . 3.240 2.133 1.969 2.344 . 0 0 "[ . 1 . 2]" 1
754 1 31 ILE HB 1 36 CYS HA . . 4.630 4.280 4.199 4.619 . 0 0 "[ . 1 . 2]" 1
755 1 31 ILE HG13 1 36 CYS HA . . 4.050 2.920 2.454 3.136 . 0 0 "[ . 1 . 2]" 1
756 1 31 ILE MG 1 36 CYS HA . . 4.170 2.914 2.606 3.771 . 0 0 "[ . 1 . 2]" 1
757 1 31 ILE MD 1 36 CYS HA . . 4.430 3.645 1.935 3.874 . 0 0 "[ . 1 . 2]" 1
758 1 35 VAL MG1 1 36 CYS HA . . 5.330 4.589 4.514 4.681 . 0 0 "[ . 1 . 2]" 1
759 1 43 TRP HA 1 44 SER QB . . 5.070 4.232 3.812 4.553 . 0 0 "[ . 1 . 2]" 1
760 1 54 LYS HA 1 55 PHE HA . . 4.930 4.421 4.373 4.479 . 0 0 "[ . 1 . 2]" 1
761 1 31 ILE HG12 1 36 CYS HA . . 4.450 2.117 1.980 3.933 . 0 0 "[ . 1 . 2]" 1
762 1 33 LYS HA 1 34 ASP H . . 3.300 2.960 2.939 3.019 . 0 0 "[ . 1 . 2]" 1
763 1 33 LYS HA 1 35 VAL H . . 4.780 4.402 4.173 4.665 . 0 0 "[ . 1 . 2]" 1
764 1 32 VAL HA 1 33 LYS HA . . 4.340 4.391 4.364 4.410 0.070 15 0 "[ . 1 . 2]" 1
765 1 55 PHE HA 1 56 TYR H . . 2.700 2.180 2.139 2.239 . 0 0 "[ . 1 . 2]" 1
766 1 51 ALA H 1 55 PHE HA . . 4.470 3.291 3.114 3.577 . 0 0 "[ . 1 . 2]" 1
767 1 55 PHE HA 1 55 PHE QD . . 4.180 2.529 2.345 2.651 . 0 0 "[ . 1 . 2]" 1
768 1 55 PHE HA 1 56 TYR QE . . 4.660 4.560 4.247 4.754 0.094 8 0 "[ . 1 . 2]" 1
769 1 54 LYS QB 1 55 PHE HA . . 5.380 4.268 3.967 4.595 . 0 0 "[ . 1 . 2]" 1
770 1 48 ILE MG 1 55 PHE HA . . 5.400 4.642 4.464 4.812 . 0 0 "[ . 1 . 2]" 1
771 1 43 TRP H 1 44 SER HA . . 5.500 4.908 4.308 5.624 0.124 15 0 "[ . 1 . 2]" 1
772 1 43 TRP HA 1 44 SER HA . . 4.950 4.406 4.294 4.815 . 0 0 "[ . 1 . 2]" 1
773 1 55 PHE QE 1 66 PHE HA . . 4.680 4.941 4.717 6.473 1.793 18 1 "[ . 1 . + 2]" 1
774 1 76 LEU HA 1 77 THR HB . . 5.310 6.164 5.970 6.338 1.028 1 20 [+*******-***********] 1
775 1 23 TRP HH2 1 76 LEU HA . . 4.380 5.637 4.822 6.069 1.689 18 18 "[*** *-********* *+**]" 1
776 1 23 TRP HZ2 1 76 LEU HA . . 3.940 3.531 2.808 3.900 . 0 0 "[ . 1 . 2]" 1
777 1 23 TRP HZ3 1 76 LEU HA . . 4.010 6.695 5.986 7.078 3.068 18 20 [***************-*+**] 1
778 1 75 TYR QB 1 76 LEU HA . . 5.010 4.076 3.841 4.188 . 0 0 "[ . 1 . 2]" 1
779 1 76 LEU HA 1 76 LEU HG . . 4.030 3.191 3.010 3.833 . 0 0 "[ . 1 . 2]" 1
780 1 69 LEU HA 1 73 ARG H . . 4.390 4.143 3.852 4.378 . 0 0 "[ . 1 . 2]" 1
781 1 69 LEU HA 1 72 CYS H . . 3.900 3.272 3.063 3.365 . 0 0 "[ . 1 . 2]" 1
782 1 68 ASP HA 1 69 LEU HA . . 4.700 4.293 4.292 4.296 . 0 0 "[ . 1 . 2]" 1
783 1 68 ASP QB 1 69 LEU HA . . 5.500 4.441 4.387 4.520 . 0 0 "[ . 1 . 2]" 1
784 1 66 PHE QB 1 69 LEU HA . . 5.430 5.358 4.978 5.470 0.040 19 0 "[ . 1 . 2]" 1
785 1 69 LEU HA 1 72 CYS QB . . 3.570 2.954 2.568 3.151 . 0 0 "[ . 1 . 2]" 1
786 1 48 ILE H 1 48 ILE MD . . 5.010 3.373 3.231 3.520 . 0 0 "[ . 1 . 2]" 1
787 1 48 ILE MD 1 49 CYS H . . 4.710 3.731 3.626 3.848 . 0 0 "[ . 1 . 2]" 1
788 1 48 ILE MD 1 58 VAL H . . 4.930 4.723 4.553 4.935 0.005 18 0 "[ . 1 . 2]" 1
789 1 48 ILE MD 1 55 PHE QE . . 3.970 1.944 1.885 2.203 . 0 0 "[ . 1 . 2]" 1
790 1 48 ILE HA 1 48 ILE MD . . 3.680 1.965 1.946 2.012 . 0 0 "[ . 1 . 2]" 1
791 1 48 ILE MD 1 57 VAL HB . . 3.800 2.686 2.414 3.047 . 0 0 "[ . 1 . 2]" 1
792 1 48 ILE MD 1 48 ILE MG . . 3.610 1.967 1.926 2.057 . 0 0 "[ . 1 . 2]" 1
793 1 41 LEU QD 1 48 ILE MD . . 4.020 3.696 3.411 3.897 . 0 0 "[ . 1 . 2]" 1
794 1 20 TYR QE 1 76 LEU HA . . 5.500 5.043 4.727 5.359 . 0 0 "[ . 1 . 2]" 1
795 1 48 ILE MD 1 75 TYR QB . . 5.500 3.411 2.669 3.728 . 0 0 "[ . 1 . 2]" 1
796 1 26 VAL HB 1 27 SER HA . . 5.110 4.149 3.935 4.349 . 0 0 "[ . 1 . 2]" 1
797 1 25 LEU QD 1 40 LEU HA . . 4.340 4.052 3.624 4.467 0.127 11 0 "[ . 1 . 2]" 1
798 1 27 SER HA 1 39 LYS H . . 4.640 3.588 3.307 4.060 . 0 0 "[ . 1 . 2]" 1
799 1 27 SER HA 1 28 GLY H . . 2.700 2.670 2.506 2.898 0.198 11 0 "[ . 1 . 2]" 1
800 1 26 VAL HA 1 27 SER HA . . 4.590 4.684 4.654 4.711 0.121 8 0 "[ . 1 . 2]" 1
801 1 27 SER HA 1 39 LYS QB . . 3.500 2.556 2.162 3.371 . 0 0 "[ . 1 . 2]" 1
802 1 26 VAL MG2 1 27 SER HA . . 4.920 3.471 2.940 3.810 . 0 0 "[ . 1 . 2]" 1
803 1 23 TRP HA 1 23 TRP HE3 . . 4.570 3.432 3.299 3.647 . 0 0 "[ . 1 . 2]" 1
804 1 23 TRP HA 1 43 TRP QB . . 3.400 1.951 1.887 2.070 . 0 0 "[ . 1 . 2]" 1
805 1 23 TRP HA 1 41 LEU QB . . 5.060 4.062 3.722 4.292 . 0 0 "[ . 1 . 2]" 1
806 1 13 ASN HA 1 16 SER H . . 3.900 4.312 4.105 4.370 0.470 14 0 "[ . 1 . 2]" 1
807 1 13 ASN HA 1 14 VAL QG . . 5.420 4.408 4.355 4.516 . 0 0 "[ . 1 . 2]" 1
808 1 56 TYR HA 1 64 LEU HB2 . . 5.080 5.153 4.692 5.462 0.382 17 0 "[ . 1 . 2]" 1
809 1 56 TYR HA 1 57 VAL MG2 . . 5.500 5.444 5.438 5.462 . 0 0 "[ . 1 . 2]" 1
810 1 49 CYS H 1 50 TYR HA . . 5.500 4.706 4.521 4.886 . 0 0 "[ . 1 . 2]" 1
811 1 50 TYR HA 1 54 LYS H . . 5.500 4.618 4.322 5.557 0.057 20 0 "[ . 1 . 2]" 1
812 1 50 TYR HA 1 55 PHE QD . . 5.140 3.361 3.227 3.577 . 0 0 "[ . 1 . 2]" 1
813 1 50 TYR HA 1 55 PHE HA . . 3.460 1.996 1.901 2.099 . 0 0 "[ . 1 . 2]" 1
814 1 50 TYR HA 1 51 ALA MB . . 4.850 3.910 3.836 3.957 . 0 0 "[ . 1 . 2]" 1
815 1 49 CYS HA 1 50 TYR H . . 3.170 2.164 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
816 1 39 LYS H 1 49 CYS HA . . 4.920 4.490 4.205 4.731 . 0 0 "[ . 1 . 2]" 1
817 1 38 LYS H 1 49 CYS HA . . 3.900 3.459 3.183 4.024 0.124 19 0 "[ . 1 . 2]" 1
818 1 39 LYS HA 1 49 CYS HA . . 3.470 2.807 2.575 3.091 . 0 0 "[ . 1 . 2]" 1
819 1 40 LEU HB2 1 49 CYS HA . . 4.860 4.668 4.159 4.826 . 0 0 "[ . 1 . 2]" 1
820 1 48 ILE MG 1 49 CYS HA . . 4.980 3.696 3.585 3.879 . 0 0 "[ . 1 . 2]" 1
821 1 56 TYR HA 1 64 LEU H . . 5.010 3.968 3.572 4.204 . 0 0 "[ . 1 . 2]" 1
822 1 56 TYR HA 1 57 VAL H . . 2.700 2.183 2.143 2.221 . 0 0 "[ . 1 . 2]" 1
823 1 56 TYR HA 1 65 PRO HA . . 3.280 2.902 2.704 2.998 . 0 0 "[ . 1 . 2]" 1
824 1 55 PHE HB2 1 56 TYR HA . . 5.500 5.651 5.606 5.776 0.276 18 0 "[ . 1 . 2]" 1
825 1 56 TYR HA 1 57 VAL HB . . 4.810 4.637 4.566 4.685 . 0 0 "[ . 1 . 2]" 1
826 1 56 TYR HA 1 63 ALA MB . . 5.270 5.023 4.668 5.220 . 0 0 "[ . 1 . 2]" 1
827 1 56 TYR HA 1 57 VAL MG1 . . 4.460 3.581 3.379 3.623 . 0 0 "[ . 1 . 2]" 1
828 1 11 ILE HB 1 12 ASN HA . . 4.810 4.167 4.103 4.230 . 0 0 "[ . 1 . 2]" 1
829 1 79 ARG HA 1 79 ARG HG3 . . 3.450 3.047 2.064 4.193 0.743 4 2 "[ +. 1 .- 2]" 1
830 1 79 ARG HA 1 80 ALA MB . . 5.150 4.560 4.211 4.884 . 0 0 "[ . 1 . 2]" 1
831 1 50 TYR HA 1 55 PHE HB2 . . 5.050 3.969 3.817 4.145 . 0 0 "[ . 1 . 2]" 1
832 1 25 LEU HA 1 25 LEU HG . . 4.000 3.697 3.455 3.776 . 0 0 "[ . 1 . 2]" 1
833 1 50 TYR QD 1 52 ASP HA . . 5.380 4.822 4.667 5.002 . 0 0 "[ . 1 . 2]" 1
834 1 51 ALA MB 1 52 ASP HA . . 5.360 4.102 4.012 4.139 . 0 0 "[ . 1 . 2]" 1
835 1 33 LYS H 1 34 ASP HA . . 5.400 4.888 4.834 5.031 . 0 0 "[ . 1 . 2]" 1
836 1 25 LEU HA 1 41 LEU H . . 4.720 5.755 5.456 6.113 1.393 11 20 [**********+*******-*] 1
837 1 34 ASP H 1 34 ASP HA . . 2.910 2.279 2.276 2.286 . 0 0 "[ . 1 . 2]" 1
838 1 34 ASP HA 1 35 VAL MG2 . . 4.800 4.423 4.311 4.604 . 0 0 "[ . 1 . 2]" 1
839 1 31 ILE MD 1 34 ASP HA . . 3.520 5.466 5.136 5.804 2.284 17 20 [*************-**+***] 1
840 1 58 VAL H 1 59 LYS HA . . 5.130 5.476 5.321 5.596 0.466 14 0 "[ . 1 . 2]" 1
841 1 4 GLN HA 1 5 THR H . . 3.010 2.493 2.168 2.790 . 0 0 "[ . 1 . 2]" 1
842 1 4 GLN HA 1 4 GLN QG . . 3.580 2.875 2.189 3.339 . 0 0 "[ . 1 . 2]" 1
843 1 4 GLN HA 1 8 THR MG . . 4.860 4.016 3.384 4.445 . 0 0 "[ . 1 . 2]" 1
844 1 58 VAL MG1 1 61 ASP HA . . 4.000 3.615 3.344 3.837 . 0 0 "[ . 1 . 2]" 1
845 1 9 ALA HA 1 12 ASN QD . . 4.320 3.714 3.447 3.872 . 0 0 "[ . 1 . 2]" 1
846 1 4 GLN QB 1 9 ALA HA . . 5.140 4.193 3.612 4.556 . 0 0 "[ . 1 . 2]" 1
847 1 4 GLN HA 1 4 GLN QE . . 5.500 4.363 3.600 4.919 . 0 0 "[ . 1 . 2]" 1
848 1 46 GLN HA 1 58 VAL H . . 5.500 5.299 4.866 5.539 0.039 3 0 "[ . 1 . 2]" 1
849 1 46 GLN HA 1 47 THR H . . 2.930 2.513 2.139 2.670 . 0 0 "[ . 1 . 2]" 1
850 1 46 GLN HA 1 59 LYS HA . . 4.220 2.537 2.002 3.056 . 0 0 "[ . 1 . 2]" 1
851 1 46 GLN HA 1 47 THR HB . . 5.220 4.712 4.474 4.959 . 0 0 "[ . 1 . 2]" 1
852 1 46 GLN HA 1 59 LYS HB3 . . 5.320 4.765 4.128 5.401 0.081 1 0 "[ . 1 . 2]" 1
853 1 46 GLN HA 1 59 LYS HG2 . . 4.870 4.726 3.862 5.790 0.920 1 3 "[+ . -1 * . 2]" 1
854 1 46 GLN HA 1 57 VAL MG2 . . 4.700 3.919 2.946 4.434 . 0 0 "[ . 1 . 2]" 1
855 1 46 GLN HA 1 47 THR HA . . 4.990 4.534 4.392 4.617 . 0 0 "[ . 1 . 2]" 1
856 1 54 LYS HA 1 55 PHE H . . 2.700 2.263 2.141 2.465 . 0 0 "[ . 1 . 2]" 1
857 1 54 LYS HA 1 55 PHE QD . . 4.490 5.822 5.745 5.861 1.371 5 20 [****+********-******] 1
858 1 54 LYS HA 1 55 PHE HB3 . . 4.760 4.293 4.155 4.358 . 0 0 "[ . 1 . 2]" 1
859 1 54 LYS HA 1 54 LYS HG3 . . 3.840 3.520 2.609 4.221 0.381 14 0 "[ . 1 . 2]" 1
860 1 54 LYS HA 1 55 PHE HB2 . . 5.480 4.815 4.609 4.991 . 0 0 "[ . 1 . 2]" 1
861 1 60 ASN HA 1 60 ASN HD22 . . 5.500 4.776 4.521 5.045 . 0 0 "[ . 1 . 2]" 1
862 1 20 TYR H 1 24 HIS HA . . 4.270 4.348 4.157 4.529 0.259 20 0 "[ . 1 . 2]" 1
863 1 24 HIS HA 1 25 LEU H . . 2.700 2.325 2.187 2.450 . 0 0 "[ . 1 . 2]" 1
864 1 19 GLY HA3 1 24 HIS HA . . 3.570 2.610 2.319 3.170 . 0 0 "[ . 1 . 2]" 1
865 1 19 GLY HA2 1 24 HIS HA . . 3.820 4.173 3.956 4.267 0.447 19 0 "[ . 1 . 2]" 1
866 1 71 ALA HA 1 74 ALA H . . 3.840 3.586 3.405 3.704 . 0 0 "[ . 1 . 2]" 1
867 1 70 GLU QB 1 71 ALA HA . . 4.340 3.855 3.792 3.877 . 0 0 "[ . 1 . 2]" 1
868 1 71 ALA HA 1 74 ALA MB . . 3.410 2.782 2.255 2.925 . 0 0 "[ . 1 . 2]" 1
869 1 74 ALA HA 1 76 LEU H . . 4.900 3.815 3.530 4.544 . 0 0 "[ . 1 . 2]" 1
870 1 74 ALA HA 1 77 THR H . . 3.900 3.382 3.167 3.853 . 0 0 "[ . 1 . 2]" 1
871 1 73 ARG HA 1 74 ALA HA . . 5.270 4.656 4.606 4.728 . 0 0 "[ . 1 . 2]" 1
872 1 73 ARG QB 1 74 ALA HA . . 4.770 3.989 3.903 4.058 . 0 0 "[ . 1 . 2]" 1
873 1 74 ALA HA 1 77 THR MG . . 4.810 4.974 4.407 5.304 0.494 19 0 "[ . 1 . 2]" 1
874 1 74 ALA HA 1 75 TYR QB . . 5.200 5.075 4.953 5.157 . 0 0 "[ . 1 . 2]" 1
875 1 24 HIS HA 1 25 LEU HB2 . . 4.230 4.668 4.586 4.911 0.681 1 3 "[+* . - . 2]" 1
876 1 24 HIS HA 1 25 LEU QD . . 4.800 5.110 5.024 5.286 0.486 1 0 "[ . 1 . 2]" 1
877 1 29 ASP HA 1 38 LYS HA . . 3.680 2.737 2.369 2.905 . 0 0 "[ . 1 . 2]" 1
878 1 38 LYS HA 1 38 LYS QG . . 3.470 2.190 2.056 2.607 . 0 0 "[ . 1 . 2]" 1
879 1 30 LEU HA 1 30 LEU HG . . 4.240 2.813 2.672 3.351 . 0 0 "[ . 1 . 2]" 1
880 1 28 GLY H 1 29 ASP HA . . 5.500 4.750 4.498 5.135 . 0 0 "[ . 1 . 2]" 1
881 1 29 ASP HA 1 30 LEU H . . 2.700 2.213 2.143 2.499 . 0 0 "[ . 1 . 2]" 1
882 1 29 ASP HA 1 39 LYS H . . 3.990 2.402 2.159 2.606 . 0 0 "[ . 1 . 2]" 1
883 1 29 ASP HA 1 38 LYS H . . 5.170 5.039 4.572 5.204 0.034 7 0 "[ . 1 . 2]" 1
884 1 29 ASP HA 1 38 LYS QD . . 4.970 5.038 3.160 6.296 1.326 6 5 "[ .+ **1 . * -]" 1
885 1 50 TYR QD 1 51 ALA HA . . 4.080 4.149 3.431 4.365 0.285 20 0 "[ . 1 . 2]" 1
886 1 37 TYR QD 1 51 ALA HA . . 5.390 2.911 2.584 3.286 . 0 0 "[ . 1 . 2]" 1
887 1 50 TYR HA 1 51 ALA HA . . 4.870 4.377 4.359 4.479 . 0 0 "[ . 1 . 2]" 1
888 1 51 ALA HA 1 52 ASP HA . . 4.650 4.367 4.346 4.414 . 0 0 "[ . 1 . 2]" 1
889 1 24 HIS H 1 41 LEU HA . . 4.970 4.764 4.565 4.891 . 0 0 "[ . 1 . 2]" 1
890 1 26 VAL H 1 41 LEU HA . . 3.920 2.655 2.354 2.850 . 0 0 "[ . 1 . 2]" 1
891 1 40 LEU H 1 41 LEU HA . . 4.540 5.263 5.207 5.323 0.783 19 20 [***************-**+*] 1
892 1 41 LEU HA 1 42 HIS HA . . 5.250 4.518 4.454 4.602 . 0 0 "[ . 1 . 2]" 1
893 1 25 LEU HA 1 41 LEU HA . . 3.860 3.138 2.876 3.457 . 0 0 "[ . 1 . 2]" 1
894 1 41 LEU HA 1 48 ILE HB . . 5.000 4.028 3.803 4.175 . 0 0 "[ . 1 . 2]" 1
895 1 25 LEU QD 1 41 LEU HA . . 3.490 3.841 3.537 4.213 0.723 2 5 "[*+ . -** . 2]" 1
896 1 68 ASP HA 1 69 LEU H . . 3.070 2.468 2.442 2.499 . 0 0 "[ . 1 . 2]" 1
897 1 68 ASP HA 1 70 GLU H . . 4.800 4.539 4.357 4.633 . 0 0 "[ . 1 . 2]" 1
898 1 68 ASP HA 1 69 LEU QB . . 4.460 4.287 4.266 4.319 . 0 0 "[ . 1 . 2]" 1
899 1 79 ARG HA 1 80 ALA HA . . 4.340 4.574 4.502 4.669 0.329 15 0 "[ . 1 . 2]" 1
900 1 63 ALA HA 1 64 LEU HA . . 4.980 4.557 4.508 4.616 . 0 0 "[ . 1 . 2]" 1
901 1 64 LEU HA 1 65 PRO HD2 . . 3.100 1.961 1.939 1.990 . 0 0 "[ . 1 . 2]" 1
902 1 64 LEU HB3 1 65 PRO HD2 . . 4.680 4.304 4.249 4.350 . 0 0 "[ . 1 . 2]" 1
903 1 62 VAL HA 1 63 ALA HA . . 5.140 4.363 4.339 4.406 . 0 0 "[ . 1 . 2]" 1
904 1 59 LYS H 1 63 ALA HA . . 4.200 3.715 3.498 4.075 . 0 0 "[ . 1 . 2]" 1
905 1 58 VAL HA 1 63 ALA HA . . 3.350 2.454 2.137 2.666 . 0 0 "[ . 1 . 2]" 1
906 1 62 VAL MG1 1 63 ALA HA . . 4.990 3.946 3.565 4.299 . 0 0 "[ . 1 . 2]" 1
907 1 58 VAL MG2 1 63 ALA HA . . 3.730 2.708 1.975 3.402 . 0 0 "[ . 1 . 2]" 1
908 1 75 TYR QD 1 76 LEU H . . 4.540 4.804 4.625 4.897 0.357 8 0 "[ . 1 . 2]" 1
909 1 75 TYR H 1 75 TYR QD . . 4.820 3.867 3.483 4.056 . 0 0 "[ . 1 . 2]" 1
910 1 75 TYR HA 1 75 TYR QD . . 4.280 2.372 2.015 2.929 . 0 0 "[ . 1 . 2]" 1
911 1 20 TYR QD 1 41 LEU QD . . 3.900 2.499 2.202 2.928 . 0 0 "[ . 1 . 2]" 1
912 1 20 TYR HA 1 20 TYR QD . . 3.780 2.938 2.804 3.078 . 0 0 "[ . 1 . 2]" 1
913 1 14 VAL QG 1 20 TYR QD . . 3.690 3.086 2.774 3.354 . 0 0 "[ . 1 . 2]" 1
914 1 75 TYR QD 1 76 LEU HA . . 4.260 5.226 4.975 5.664 1.404 14 20 [*************+*****-] 1
915 1 20 TYR QD 1 21 HIS H . . 5.100 2.240 1.806 4.038 . 0 0 "[ . 1 . 2]" 1
916 1 20 TYR H 1 20 TYR QD . . 4.920 3.593 3.347 4.401 . 0 0 "[ . 1 . 2]" 1
917 1 10 PHE QE 1 20 TYR QD . . 5.260 4.411 3.807 4.841 . 0 0 "[ . 1 . 2]" 1
918 1 75 TYR QD 1 76 LEU HG . . 4.680 5.372 4.969 6.993 2.313 20 14 "[* *** * ***- *** *+]" 1
919 1 20 TYR QD 1 25 LEU QD . . 5.350 6.813 6.560 7.370 2.020 20 20 [********-**********+] 1
920 1 48 ILE MD 1 75 TYR QD . . 3.970 4.549 3.808 5.043 1.073 14 16 "[**-********* +** *]" 1
921 1 50 TYR H 1 50 TYR QD . . 3.810 2.182 2.085 2.286 . 0 0 "[ . 1 . 2]" 1
922 1 50 TYR QD 1 51 ALA H . . 4.500 3.573 2.841 3.868 . 0 0 "[ . 1 . 2]" 1
923 1 50 TYR QD 1 53 ASN H . . 4.520 5.099 4.379 5.451 0.931 12 14 "[-****** ***+*** 2]" 1
924 1 50 TYR HA 1 50 TYR QD . . 4.390 3.733 3.728 3.740 . 0 0 "[ . 1 . 2]" 1
925 1 40 LEU HB2 1 50 TYR QD . . 4.180 2.132 1.987 2.406 . 0 0 "[ . 1 . 2]" 1
926 1 40 LEU HG 1 50 TYR QD . . 4.060 4.882 4.721 5.106 1.046 17 20 [-***************+***] 1
927 1 38 LYS HB2 1 50 TYR QD . . 4.430 3.386 3.246 3.490 . 0 0 "[ . 1 . 2]" 1
928 1 40 LEU HA 1 50 TYR QD . . 5.260 4.455 4.266 4.757 . 0 0 "[ . 1 . 2]" 1
929 1 49 CYS HA 1 50 TYR QD . . 4.200 3.733 3.560 3.821 . 0 0 "[ . 1 . 2]" 1
930 1 30 LEU QB 1 37 TYR QD . . 4.260 3.793 2.740 4.233 . 0 0 "[ . 1 . 2]" 1
931 1 54 LYS QB 1 56 TYR QD . . 4.450 3.631 3.462 4.009 . 0 0 "[ . 1 . 2]" 1
932 1 56 TYR QD 1 57 VAL H . . 4.880 4.206 4.017 4.423 . 0 0 "[ . 1 . 2]" 1
933 1 56 TYR H 1 56 TYR QD . . 3.810 2.812 2.421 3.054 . 0 0 "[ . 1 . 2]" 1
934 1 56 TYR QD 1 66 PHE H . . 5.160 4.457 4.326 4.586 . 0 0 "[ . 1 . 2]" 1
935 1 50 TYR HA 1 56 TYR QD . . 3.890 2.854 2.621 3.075 . 0 0 "[ . 1 . 2]" 1
936 1 56 TYR QD 1 58 VAL MG2 . . 5.500 4.867 4.579 5.122 . 0 0 "[ . 1 . 2]" 1
937 1 51 ALA H 1 56 TYR QD . . 4.510 3.236 2.848 3.454 . 0 0 "[ . 1 . 2]" 1
938 1 56 TYR QD 1 65 PRO HA . . 4.080 2.631 2.529 2.768 . 0 0 "[ . 1 . 2]" 1
939 1 51 ALA MB 1 56 TYR QD . . 4.330 3.262 2.834 3.538 . 0 0 "[ . 1 . 2]" 1
940 1 56 TYR QD 1 63 ALA MB . . 3.770 3.290 2.931 3.463 . 0 0 "[ . 1 . 2]" 1
941 1 35 VAL H 1 37 TYR QD . . 5.500 5.026 4.904 5.155 . 0 0 "[ . 1 . 2]" 1
942 1 37 TYR H 1 37 TYR QD . . 3.500 2.917 2.709 3.112 . 0 0 "[ . 1 . 2]" 1
943 1 32 VAL H 1 37 TYR QD . . 3.990 2.719 2.360 3.077 . 0 0 "[ . 1 . 2]" 1
944 1 31 ILE HA 1 37 TYR QD . . 4.510 3.421 3.162 3.955 . 0 0 "[ . 1 . 2]" 1
945 1 37 TYR QD 1 51 ALA MB . . 3.340 2.221 1.982 2.535 . 0 0 "[ . 1 . 2]" 1
946 1 35 VAL MG1 1 37 TYR QD . . 4.230 3.378 3.204 3.496 . 0 0 "[ . 1 . 2]" 1
947 1 37 TYR QD 1 38 LYS H . . 4.640 3.596 3.500 3.746 . 0 0 "[ . 1 . 2]" 1
948 1 10 PHE QD 1 20 TYR QE . . 4.130 3.054 2.566 3.566 . 0 0 "[ . 1 . 2]" 1
949 1 10 PHE QD 1 14 VAL QG . . 3.900 3.878 3.641 4.511 0.611 18 1 "[ . 1 . + 2]" 1
950 1 10 PHE HA 1 10 PHE QD . . 3.390 3.670 3.622 3.698 0.308 18 0 "[ . 1 . 2]" 1
951 1 10 PHE QD 1 73 ARG HG3 . . 4.040 3.586 3.332 4.346 0.306 18 0 "[ . 1 . 2]" 1
952 1 10 PHE QD 1 76 LEU QD . . 4.990 4.153 3.862 5.052 0.062 20 0 "[ . 1 . 2]" 1
953 1 55 PHE H 1 55 PHE QD . . 3.930 4.102 3.982 4.233 0.303 5 0 "[ . 1 . 2]" 1
954 1 50 TYR HB2 1 55 PHE QD . . 5.390 3.983 3.762 4.573 . 0 0 "[ . 1 . 2]" 1
955 1 54 LYS QB 1 55 PHE QD . . 5.430 5.845 5.607 6.071 0.641 17 10 "[** . ** * **+ *-]" 1
956 1 48 ILE MG 1 55 PHE QD . . 3.990 2.597 2.336 2.812 . 0 0 "[ . 1 . 2]" 1
957 1 10 PHE QD 1 73 ARG HD2 . . 4.050 3.921 3.624 4.778 0.728 7 1 "[ . + 1 . 2]" 1
958 1 10 PHE QD 1 77 THR MG . . 4.650 6.872 6.112 8.094 3.444 20 20 [**********-********+] 1
959 1 65 PRO HA 1 66 PHE QD . . 5.120 3.463 3.383 3.547 . 0 0 "[ . 1 . 2]" 1
960 1 66 PHE HA 1 66 PHE QD . . 4.440 3.561 2.486 3.631 . 0 0 "[ . 1 . 2]" 1
961 1 66 PHE H 1 66 PHE QD . . 4.500 2.058 1.925 2.677 . 0 0 "[ . 1 . 2]" 1
962 1 10 PHE QE 1 41 LEU QD . . 4.830 5.144 4.725 5.451 0.621 17 3 "[ . - 1 . +* 2]" 1
963 1 10 PHE QE 1 76 LEU QD . . 4.500 2.411 2.005 3.486 . 0 0 "[ . 1 . 2]" 1
964 1 10 PHE QE 1 14 VAL QG . . 4.350 4.632 4.389 5.082 0.732 18 1 "[ . 1 . + 2]" 1
965 1 10 PHE QE 1 77 THR MG . . 4.680 6.150 5.440 7.209 2.529 20 20 [**********-********+] 1
966 1 55 PHE HZ 1 57 VAL MG1 . . 3.600 3.289 3.071 3.512 . 0 0 "[ . 1 . 2]" 1
967 1 55 PHE HZ 1 57 VAL H . . 5.390 4.751 4.602 4.856 . 0 0 "[ . 1 . 2]" 1
968 1 10 PHE HZ 1 76 LEU H . . 5.500 4.848 4.170 5.419 . 0 0 "[ . 1 . 2]" 1
969 1 10 PHE HZ 1 76 LEU QD . . 3.770 2.640 2.056 3.041 . 0 0 "[ . 1 . 2]" 1
970 1 23 TRP HA 1 23 TRP HD1 . . 5.240 4.089 3.944 4.174 . 0 0 "[ . 1 . 2]" 1
971 1 23 TRP HB3 1 23 TRP HD1 . . 3.700 3.857 3.840 3.879 0.179 8 0 "[ . 1 . 2]" 1
972 1 23 TRP HD1 1 43 TRP QB . . 4.330 4.878 4.156 5.116 0.786 17 16 "[******* ***** - +**2]" 1
973 1 23 TRP HD1 1 41 LEU QD . . 4.580 3.972 3.538 4.255 . 0 0 "[ . 1 . 2]" 1
974 1 20 TYR QB 1 23 TRP HH2 . . 5.500 7.445 7.290 7.624 2.124 14 20 [***-*********+******] 1
975 1 42 HIS HA 1 42 HIS HD2 . . 4.390 3.794 2.247 4.807 0.417 14 0 "[ . 1 . 2]" 1
976 1 42 HIS HD2 1 47 THR MG . . 5.290 3.891 1.972 5.926 0.636 9 2 "[ . +1- . 2]" 1
977 1 42 HIS HD2 1 43 TRP H . . 4.030 3.799 1.992 5.442 1.412 14 9 "[* .** *** +* - 2]" 1
978 1 23 TRP HE3 1 76 LEU QB . . 5.180 6.241 5.985 6.453 1.273 18 20 [*****************+-*] 1
979 1 23 TRP HE3 1 41 LEU QD . . 5.500 3.751 3.448 3.985 . 0 0 "[ . 1 . 2]" 1
980 1 23 TRP HE3 1 41 LEU QB . . 4.510 2.786 2.472 3.005 . 0 0 "[ . 1 . 2]" 1
981 1 24 HIS H 1 24 HIS HD2 . . 5.120 3.843 2.566 4.775 . 0 0 "[ . 1 . 2]" 1
982 1 43 TRP HA 1 43 TRP HE3 . . 5.500 5.169 4.971 5.260 . 0 0 "[ . 1 . 2]" 1
983 1 43 TRP HE3 1 44 SER QB . . 5.130 5.622 3.703 6.578 1.448 9 14 "[** -* * +*****. ***2]" 1
984 1 43 TRP HZ3 1 44 SER QB . . 5.290 6.430 4.345 7.997 2.707 9 15 "[**-** * +*****. ***2]" 1
985 1 56 TYR H 1 56 TYR QE . . 5.370 4.820 4.500 5.009 . 0 0 "[ . 1 . 2]" 1
986 1 54 LYS H 1 56 TYR QE . . 4.650 4.161 3.608 4.325 . 0 0 "[ . 1 . 2]" 1
987 1 51 ALA H 1 56 TYR QE . . 3.830 3.230 2.807 3.501 . 0 0 "[ . 1 . 2]" 1
988 1 56 TYR QE 1 65 PRO HA . . 4.430 3.446 3.325 3.572 . 0 0 "[ . 1 . 2]" 1
989 1 54 LYS QB 1 56 TYR QE . . 3.330 2.106 1.908 2.756 . 0 0 "[ . 1 . 2]" 1
990 1 51 ALA MB 1 56 TYR QE . . 3.710 2.256 1.926 2.569 . 0 0 "[ . 1 . 2]" 1
991 1 56 TYR QE 1 66 PHE H . . 5.500 5.053 4.749 5.166 . 0 0 "[ . 1 . 2]" 1
992 1 51 ALA HA 1 56 TYR QE . . 5.500 4.762 4.430 5.014 . 0 0 "[ . 1 . 2]" 1
993 1 10 PHE QE 1 20 TYR QE . . 4.960 2.545 1.990 3.198 . 0 0 "[ . 1 . 2]" 1
994 1 20 TYR QE 1 77 THR MG . . 3.390 2.825 2.092 3.704 0.314 20 0 "[ . 1 . 2]" 1
995 1 20 TYR QE 1 41 LEU QD . . 5.060 4.103 3.788 4.593 . 0 0 "[ . 1 . 2]" 1
996 1 13 ASN QD 1 20 TYR QE . . 5.270 7.734 6.627 8.340 3.070 19 20 [***************-**+*] 1
997 1 20 TYR QE 1 77 THR H . . 5.410 4.324 3.655 4.650 . 0 0 "[ . 1 . 2]" 1
998 1 50 TYR H 1 50 TYR QE . . 5.320 4.064 3.948 4.108 . 0 0 "[ . 1 . 2]" 1
999 1 40 LEU HA 1 50 TYR QE . . 4.950 3.334 3.166 3.572 . 0 0 "[ . 1 . 2]" 1
1000 1 23 TRP HZ3 1 76 LEU H . . 5.500 8.826 8.403 9.357 3.857 11 20 [**********+****-****] 1
1001 1 38 LYS HB3 1 50 TYR QE . . 4.130 2.392 2.229 2.527 . 0 0 "[ . 1 . 2]" 1
1002 1 40 LEU HG 1 50 TYR QE . . 3.660 4.438 4.120 4.614 0.954 11 19 "[ *********+*******-*]" 1
1003 1 32 VAL MG2 1 37 TYR QE . . 3.300 3.610 3.422 4.226 0.926 15 2 "[ . 1 +- 2]" 1
1004 1 35 VAL MG1 1 37 TYR QE . . 3.710 2.422 2.265 2.782 . 0 0 "[ . 1 . 2]" 1
1005 1 31 ILE HA 1 37 TYR QE . . 5.380 4.731 4.545 4.955 . 0 0 "[ . 1 . 2]" 1
1006 1 37 TYR QE 1 51 ALA MB . . 4.070 2.215 1.980 2.478 . 0 0 "[ . 1 . 2]" 1
1007 1 35 VAL H 1 37 TYR QE . . 4.620 4.110 4.058 4.326 . 0 0 "[ . 1 . 2]" 1
1008 1 43 TRP HZ2 1 44 SER QB . . 5.500 4.811 3.888 6.664 1.164 9 1 "[ . +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 105
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 2023.343
_Distance_constraint_stats_list.Viol_max 1.188
_Distance_constraint_stats_list.Viol_rms 0.1794
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0482
_Distance_constraint_stats_list.Viol_average_violations_only 0.5242
_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 7 GLU 33.988 1.188 9 20 [********+*-*********]
1 8 THR 2.808 0.452 5 0 "[ . 1 . 2]"
1 9 ALA 1.616 0.139 18 0 "[ . 1 . 2]"
1 10 PHE 17.894 0.883 19 20 [**********-*******+*]
1 11 ILE 18.902 1.188 9 20 [***-****+***********]
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 1.616 0.139 18 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 16.933 0.869 19 20 [***************-**+*]
1 41 LEU 16.933 0.869 19 20 [***************-**+*]
1 42 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 32.933 0.833 18 20 [*********-*******+**]
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 4.669 0.285 19 0 "[ . 1 . 2]"
1 71 ALA 18.510 0.818 18 20 [*****************+*-]
1 72 CYS 21.984 1.032 19 20 [********-*********+*]
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 TYR 6.281 0.758 18 3 "[ . 1 . +*-]"
1 76 LEU 6.608 1.032 19 2 "[ . - 1 . +2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.659 0.320 19 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 7 GLU HA 1 8 THR H . . 4.000 3.530 3.422 3.569 . 0 0 "[ . 1 . 2]" 2
2 1 7 GLU H 1 9 ALA H . . 4.700 3.685 3.572 3.919 . 0 0 "[ . 1 . 2]" 2
3 1 7 GLU HA 1 10 PHE H . . 3.900 4.654 4.511 4.783 0.883 19 20 [**********-*******+*] 2
4 1 7 GLU HA 1 10 PHE QB . . 5.600 5.331 4.875 5.516 . 0 0 "[ . 1 . 2]" 2
5 1 7 GLU HA 1 11 ILE H . . 4.700 5.645 5.423 5.888 1.188 9 20 [***-****+***********] 2
6 1 8 THR HA 1 9 ALA H . . 4.000 3.276 3.237 3.474 . 0 0 "[ . 1 . 2]" 2
7 1 8 THR HB 1 9 ALA H . . 4.900 4.404 4.217 4.445 . 0 0 "[ . 1 . 2]" 2
8 1 8 THR HA 1 10 PHE H . . 4.900 4.217 3.760 4.642 . 0 0 "[ . 1 . 2]" 2
9 1 8 THR H 1 10 PHE H . . 4.700 4.723 3.861 5.152 0.452 5 0 "[ . 1 . 2]" 2
10 1 8 THR HA 1 11 ILE H . . 3.900 3.114 2.959 3.249 . 0 0 "[ . 1 . 2]" 2
11 1 8 THR HA 1 11 ILE HB . . 5.600 2.394 2.230 2.568 . 0 0 "[ . 1 . 2]" 2
12 1 8 THR HA 1 12 ASN H . . 4.700 3.769 3.616 3.916 . 0 0 "[ . 1 . 2]" 2
13 1 9 ALA HA 1 10 PHE H . . 4.000 3.551 3.507 3.572 . 0 0 "[ . 1 . 2]" 2
14 1 9 ALA H 1 10 PHE H . . 3.300 2.723 2.572 2.926 . 0 0 "[ . 1 . 2]" 2
15 1 9 ALA HA 1 11 ILE H . . 4.900 4.200 3.892 4.294 . 0 0 "[ . 1 . 2]" 2
16 1 9 ALA H 1 11 ILE H . . 4.700 3.783 3.668 3.964 . 0 0 "[ . 1 . 2]" 2
17 1 9 ALA HA 1 12 ASN HB2 . . 5.600 3.055 2.819 3.226 . 0 0 "[ . 1 . 2]" 2
18 1 9 ALA HA 1 13 ASN H . . 4.700 4.771 4.538 4.839 0.139 18 0 "[ . 1 . 2]" 2
19 1 10 PHE HA 1 11 ILE H . . 4.000 3.453 3.352 3.482 . 0 0 "[ . 1 . 2]" 2
20 1 10 PHE H 1 11 ILE H . . 3.300 2.475 2.297 2.619 . 0 0 "[ . 1 . 2]" 2
21 1 10 PHE QB 1 11 ILE H . . 4.900 3.578 3.527 3.730 . 0 0 "[ . 1 . 2]" 2
22 1 10 PHE HA 1 12 ASN H . . 4.900 4.682 4.486 4.787 . 0 0 "[ . 1 . 2]" 2
23 1 10 PHE H 1 12 ASN H . . 4.700 4.347 4.170 4.499 . 0 0 "[ . 1 . 2]" 2
24 1 11 ILE HA 1 12 ASN H . . 4.000 3.556 3.526 3.564 . 0 0 "[ . 1 . 2]" 2
25 1 11 ILE H 1 12 ASN H . . 3.300 2.562 2.318 2.689 . 0 0 "[ . 1 . 2]" 2
26 1 11 ILE HA 1 13 ASN H . . 4.900 4.168 4.072 4.262 . 0 0 "[ . 1 . 2]" 2
27 1 11 ILE H 1 13 ASN H . . 4.700 4.047 3.932 4.166 . 0 0 "[ . 1 . 2]" 2
28 1 12 ASN HA 1 13 ASN H . . 4.000 3.529 3.512 3.548 . 0 0 "[ . 1 . 2]" 2
29 1 12 ASN H 1 13 ASN H . . 3.300 2.852 2.817 2.888 . 0 0 "[ . 1 . 2]" 2
30 1 12 ASN HB2 1 13 ASN H . . 4.900 3.015 2.922 3.083 . 0 0 "[ . 1 . 2]" 2
31 1 12 ASN HA 1 14 VAL H . . 4.900 4.014 3.856 4.253 . 0 0 "[ . 1 . 2]" 2
32 1 12 ASN HA 1 15 THR H . . 3.900 2.967 2.915 3.075 . 0 0 "[ . 1 . 2]" 2
33 1 12 ASN HA 1 15 THR HB . . 5.600 2.248 1.988 2.758 . 0 0 "[ . 1 . 2]" 2
34 1 12 ASN HA 1 16 SER H . . 4.700 3.901 3.681 4.396 . 0 0 "[ . 1 . 2]" 2
35 1 13 ASN HA 1 14 VAL H . . 4.000 3.514 3.483 3.539 . 0 0 "[ . 1 . 2]" 2
36 1 13 ASN H 1 14 VAL H . . 3.300 2.793 2.725 2.837 . 0 0 "[ . 1 . 2]" 2
37 1 13 ASN HA 1 15 THR H . . 4.900 4.552 4.274 4.736 . 0 0 "[ . 1 . 2]" 2
38 1 13 ASN H 1 15 THR H . . 4.700 3.937 3.804 4.108 . 0 0 "[ . 1 . 2]" 2
39 1 14 VAL HA 1 15 THR H . . 4.000 3.471 3.410 3.515 . 0 0 "[ . 1 . 2]" 2
40 1 14 VAL H 1 15 THR H . . 3.300 2.152 2.114 2.272 . 0 0 "[ . 1 . 2]" 2
41 1 14 VAL H 1 16 SER H . . 4.700 3.945 3.723 4.383 . 0 0 "[ . 1 . 2]" 2
42 1 15 THR HA 1 16 SER H . . 4.000 3.482 3.419 3.551 . 0 0 "[ . 1 . 2]" 2
43 1 15 THR H 1 16 SER H . . 3.300 2.669 2.604 2.725 . 0 0 "[ . 1 . 2]" 2
44 1 68 ASP H 1 70 GLU H . . 4.700 4.930 4.638 4.985 0.285 19 0 "[ . 1 . 2]" 2
45 1 68 ASP HA 1 71 ALA H . . 3.900 4.544 4.515 4.718 0.818 18 20 [*********-*******+**] 2
46 1 68 ASP HA 1 72 CYS H . . 4.700 5.469 5.391 5.533 0.833 18 20 [********-********+**] 2
47 1 69 LEU HA 1 70 GLU H . . 4.000 3.549 3.523 3.558 . 0 0 "[ . 1 . 2]" 2
48 1 69 LEU H 1 70 GLU H . . 3.300 2.860 2.838 2.919 . 0 0 "[ . 1 . 2]" 2
49 1 69 LEU HA 1 71 ALA H . . 4.900 3.887 3.821 4.066 . 0 0 "[ . 1 . 2]" 2
50 1 69 LEU H 1 71 ALA H . . 4.700 4.097 4.047 4.384 . 0 0 "[ . 1 . 2]" 2
51 1 70 GLU HA 1 71 ALA H . . 4.000 3.470 3.454 3.514 . 0 0 "[ . 1 . 2]" 2
52 1 70 GLU H 1 71 ALA H . . 3.300 2.717 2.690 2.835 . 0 0 "[ . 1 . 2]" 2
53 1 70 GLU H 1 72 CYS H . . 4.700 4.396 4.287 4.502 . 0 0 "[ . 1 . 2]" 2
54 1 70 GLU HA 1 74 ALA H . . 4.700 4.236 3.958 4.554 . 0 0 "[ . 1 . 2]" 2
55 1 71 ALA HA 1 72 CYS H . . 4.000 3.542 3.523 3.554 . 0 0 "[ . 1 . 2]" 2
56 1 71 ALA HA 1 73 ARG H . . 4.900 4.597 4.443 4.729 . 0 0 "[ . 1 . 2]" 2
57 1 71 ALA H 1 73 ARG H . . 4.700 4.071 3.934 4.272 . 0 0 "[ . 1 . 2]" 2
58 1 71 ALA HA 1 75 TYR H . . 4.700 4.981 4.704 5.458 0.758 18 3 "[ . 1 . +*-]" 2
59 1 72 CYS HA 1 73 ARG H . . 4.000 3.544 3.527 3.556 . 0 0 "[ . 1 . 2]" 2
60 1 72 CYS HA 1 74 ALA H . . 4.900 4.126 3.873 4.403 . 0 0 "[ . 1 . 2]" 2
61 1 72 CYS H 1 74 ALA H . . 4.700 3.949 3.822 4.062 . 0 0 "[ . 1 . 2]" 2
62 1 72 CYS HA 1 75 TYR HB2 . . 5.600 2.344 2.129 3.078 . 0 0 "[ . 1 . 2]" 2
63 1 72 CYS HA 1 76 LEU H . . 4.700 5.011 4.436 5.732 1.032 19 2 "[ . - 1 . +2]" 2
64 1 73 ARG HA 1 74 ALA H . . 4.000 3.485 3.406 3.534 . 0 0 "[ . 1 . 2]" 2
65 1 73 ARG H 1 74 ALA H . . 3.300 2.619 2.537 2.715 . 0 0 "[ . 1 . 2]" 2
66 1 73 ARG QB 1 74 ALA H . . 4.900 2.805 2.578 3.095 . 0 0 "[ . 1 . 2]" 2
67 1 73 ARG H 1 75 TYR H . . 4.700 3.964 3.863 4.291 . 0 0 "[ . 1 . 2]" 2
68 1 74 ALA HA 1 75 TYR H . . 4.000 3.229 3.087 3.338 . 0 0 "[ . 1 . 2]" 2
69 1 74 ALA H 1 76 LEU H . . 4.700 4.232 4.058 4.416 . 0 0 "[ . 1 . 2]" 2
70 1 74 ALA HA 1 77 THR HB . . 5.600 3.578 2.862 3.964 . 0 0 "[ . 1 . 2]" 2
71 1 74 ALA HA 1 78 SER H . . 4.700 4.000 3.295 4.602 . 0 0 "[ . 1 . 2]" 2
72 1 75 TYR HA 1 76 LEU H . . 4.000 3.386 3.251 3.529 . 0 0 "[ . 1 . 2]" 2
73 1 75 TYR H 1 76 LEU H . . 3.300 2.162 1.994 2.360 . 0 0 "[ . 1 . 2]" 2
74 1 75 TYR HB2 1 76 LEU H . . 4.900 3.509 3.016 3.809 . 0 0 "[ . 1 . 2]" 2
75 1 75 TYR HA 1 78 SER H . . 3.900 3.816 3.478 4.220 0.320 19 0 "[ . 1 . 2]" 2
76 1 75 TYR HA 1 78 SER HB2 . . 5.600 4.537 3.644 5.444 . 0 0 "[ . 1 . 2]" 2
77 1 76 LEU HA 1 77 THR H . . 4.000 3.357 3.273 3.552 . 0 0 "[ . 1 . 2]" 2
78 1 76 LEU H 1 77 THR H . . 3.300 2.063 1.888 2.580 . 0 0 "[ . 1 . 2]" 2
79 1 76 LEU HA 1 78 SER H . . 4.900 4.014 3.747 4.293 . 0 0 "[ . 1 . 2]" 2
80 1 76 LEU H 1 78 SER H . . 4.700 3.536 3.180 3.964 . 0 0 "[ . 1 . 2]" 2
81 1 77 THR H 1 78 SER H . . 3.300 2.079 1.815 2.644 . 0 0 "[ . 1 . 2]" 2
82 1 77 THR HB 1 78 SER H . . 4.900 3.708 3.118 3.955 . 0 0 "[ . 1 . 2]" 2
83 1 24 HIS H 1 25 LEU H . . 4.800 4.554 4.497 4.583 . 0 0 "[ . 1 . 2]" 2
84 1 24 HIS HB2 1 25 LEU H . . 5.200 3.697 3.128 4.212 . 0 0 "[ . 1 . 2]" 2
85 1 25 LEU H 1 26 VAL H . . 4.800 4.474 4.411 4.550 . 0 0 "[ . 1 . 2]" 2
86 1 25 LEU HB2 1 26 VAL H . . 5.200 4.158 3.904 4.261 . 0 0 "[ . 1 . 2]" 2
87 1 26 VAL H 1 27 SER H . . 4.800 4.374 4.340 4.396 . 0 0 "[ . 1 . 2]" 2
88 1 27 SER H 1 28 GLY H . . 4.800 2.288 1.865 2.611 . 0 0 "[ . 1 . 2]" 2
89 1 28 GLY H 1 29 ASP H . . 4.800 2.613 2.248 3.606 . 0 0 "[ . 1 . 2]" 2
90 1 29 ASP H 1 30 LEU H . . 4.800 3.761 3.484 4.349 . 0 0 "[ . 1 . 2]" 2
91 1 30 LEU H 1 31 ILE H . . 4.800 4.220 3.448 4.480 . 0 0 "[ . 1 . 2]" 2
92 1 36 CYS H 1 37 TYR H . . 4.800 4.388 4.323 4.421 . 0 0 "[ . 1 . 2]" 2
93 1 37 TYR HA 1 38 LYS H . . 2.700 2.513 2.286 2.670 . 0 0 "[ . 1 . 2]" 2
94 1 37 TYR H 1 38 LYS H . . 4.800 4.511 4.432 4.568 . 0 0 "[ . 1 . 2]" 2
95 1 39 LYS H 1 40 LEU H . . 4.800 3.845 3.744 3.916 . 0 0 "[ . 1 . 2]" 2
96 1 39 LYS HB2 1 40 LEU H . . 5.200 4.499 4.471 4.538 . 0 0 "[ . 1 . 2]" 2
97 1 40 LEU HA 1 41 LEU H . . 2.700 3.547 3.523 3.569 0.869 19 20 [***************-**+*] 2
98 1 41 LEU H 1 42 HIS H . . 4.800 4.427 4.378 4.482 . 0 0 "[ . 1 . 2]" 2
99 1 54 LYS H 1 55 PHE H . . 4.800 4.213 3.941 4.544 . 0 0 "[ . 1 . 2]" 2
100 1 55 PHE H 1 56 TYR H . . 4.800 4.453 4.256 4.587 . 0 0 "[ . 1 . 2]" 2
101 1 56 TYR H 1 57 VAL H . . 4.800 4.345 4.298 4.426 . 0 0 "[ . 1 . 2]" 2
102 1 56 TYR HB2 1 57 VAL H . . 5.200 4.056 3.917 4.232 . 0 0 "[ . 1 . 2]" 2
103 1 57 VAL H 1 58 VAL H . . 4.800 3.847 3.678 4.217 . 0 0 "[ . 1 . 2]" 2
104 1 62 VAL H 1 63 ALA H . . 4.800 4.342 4.193 4.399 . 0 0 "[ . 1 . 2]" 2
105 1 63 ALA H 1 64 LEU H . . 4.800 4.548 4.468 4.601 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, April 27, 2024 7:03:57 PM GMT (wattos1)