NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652191 |
6svh   |
34434 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6svh
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 417
_Distance_constraint_stats_list.Viol_count 8229
_Distance_constraint_stats_list.Viol_total 252288.453
_Distance_constraint_stats_list.Viol_max 5.113
_Distance_constraint_stats_list.Viol_rms 0.8979
_Distance_constraint_stats_list.Viol_average_all_restraints 1.5125
_Distance_constraint_stats_list.Viol_average_violations_only 1.5329
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 101.937 2.444 13 20 [************+*****-*]
1 3 LEU 511.743 2.444 13 20 [*******-****+*******]
1 4 PRO 423.818 3.189 14 20 [*********-***+******]
1 5 PRO 333.979 4.594 11 20 [****-*****+*********]
1 6 GLY 468.662 3.375 5 20 [****+*****-*********]
1 7 TRP 1191.880 4.134 2 20 [*+***************-**]
1 8 GLU 786.395 4.987 15 20 [********-*****+*****]
1 9 LYS 943.585 3.787 20 20 [***-***************+]
1 10 ARG 1124.691 4.028 6 20 [*****+********-*****]
1 11 MET 635.606 3.437 6 20 [*****+***-**********]
1 12 SER 772.528 4.001 12 20 [***********+******-*]
1 13 ARG 269.565 5.113 13 20 [************+******-]
1 14 ASN 540.939 5.113 13 20 [********-***+*******]
1 15 SER 531.106 4.305 12 20 [***********+***-****]
1 16 GLY 367.433 4.859 19 20 [***************-**+*]
1 17 ARG 866.083 4.305 12 20 [***********+*-******]
1 18 VAL 821.637 4.071 15 20 [*********-****+*****]
1 19 TYR 1204.356 4.796 18 20 [*****************+-*]
1 20 TYR 1339.622 3.787 20 20 [*******-***********+]
1 21 PHE 1062.657 3.999 13 20 [************+*-*****]
1 22 ASN 1247.919 3.951 13 20 [-***********+*******]
1 23 HIS 649.643 4.987 15 20 [-*************+*****]
1 24 ILE 1230.026 4.594 11 20 [**********+*********]
1 25 THR 889.113 3.818 13 20 [************+****-**]
1 26 ASN 644.771 3.999 13 20 [************+-******]
1 27 ALA 756.743 3.632 13 20 [*-**********+*******]
1 28 SER 587.274 4.757 19 20 [*****************-+*]
1 29 GLN 969.965 4.796 18 20 [***-*************+**]
1 30 PHE 426.355 4.019 12 20 [***-*******+********]
1 31 GLU 403.398 3.581 9 20 [********+**-********]
1 32 ARG 625.803 3.798 6 20 [*****+*******-******]
1 33 PRO 894.928 4.740 2 20 [*+****************-*]
1 34 SER 325.165 3.798 6 20 [*****+**-***********]
1 35 GLY 172.122 3.731 7 20 [******+**-**********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS H 1 2 LYS QB . . 2.040 2.612 2.323 2.862 0.822 8 15 "[ ***. *+ *** *****-*]" 1
2 1 2 LYS HA 1 2 LYS QD . . 2.010 3.880 2.628 4.250 2.240 12 20 [***********+-*******] 1
3 1 2 LYS HA 1 3 LEU H . . 2.140 2.410 2.144 3.546 1.406 13 4 "[ .*-* 1 + . 2]" 1
4 1 2 LYS HA 1 3 LEU QD . . 2.790 3.896 3.498 5.234 2.444 13 20 [************+****-**] 1
5 1 2 LYS QB 1 3 LEU H . . 2.280 3.559 2.414 4.037 1.757 14 17 "[**-** ****** +* ****]" 1
6 1 3 LEU H 1 3 LEU QB . . 1.830 2.936 2.101 3.445 1.615 16 19 "[****** *****-**+****]" 1
7 1 3 LEU H 1 3 LEU QD . . 2.620 2.948 2.280 3.176 0.556 8 2 "[ - . + 1 . 2]" 1
8 1 3 LEU H 1 3 LEU HG . . 1.850 2.500 1.947 4.271 2.421 7 16 "[***** +**1*- ******]" 1
9 1 3 LEU H 1 4 PRO QD . . 3.120 4.299 3.922 4.375 1.255 14 20 [*************+*-****] 1
10 1 3 LEU HA 1 3 LEU QD . . 1.850 2.469 2.057 2.817 0.967 6 17 "[-****+ *** **** ****]" 1
11 1 3 LEU HA 1 4 PRO QD . . 1.530 2.080 2.048 2.114 0.584 4 20 [***+**-*************] 1
12 1 3 LEU HA 1 4 PRO QG . . 3.690 3.991 3.955 4.027 0.337 4 0 "[ . 1 . 2]" 1
13 1 3 LEU HA 1 33 PRO QG . . 2.620 3.886 3.523 4.799 2.179 13 20 [************+*****-*] 1
14 1 3 LEU QB 1 3 LEU QD . . 1.420 1.896 1.839 1.963 0.543 7 1 "[ . + 1 . 2]" 1
15 1 3 LEU QB 1 4 PRO QD . . 1.780 2.056 1.929 2.551 0.771 7 1 "[ . + 1 . 2]" 1
16 1 3 LEU QB 1 7 TRP H . . 2.720 4.009 3.646 4.665 1.945 7 20 [******+******-******] 1
17 1 3 LEU QB 1 7 TRP QB . . 1.490 2.460 2.065 3.151 1.661 7 20 [*****-+*************] 1
18 1 3 LEU QD 1 4 PRO QD . . 1.920 3.127 2.763 3.267 1.347 12 20 [******-****+********] 1
19 1 3 LEU QD 1 7 TRP QB . . 1.520 2.581 2.248 3.161 1.641 7 20 [*****-+*************] 1
20 1 3 LEU QD 1 8 GLU H . . 2.670 4.019 3.619 4.503 1.833 19 20 [******-***********+*] 1
21 1 3 LEU QD 1 8 GLU HA . . 2.140 2.991 2.591 3.717 1.577 19 19 "[********-******* *+*]" 1
22 1 3 LEU QD 1 9 LYS H . . 2.170 3.327 2.712 3.724 1.554 6 20 [*****+*****-********] 1
23 1 3 LEU QD 1 9 LYS HA . . 1.390 3.529 2.892 3.799 2.409 19 20 [******-***********+*] 1
24 1 3 LEU QD 1 9 LYS QB . . 1.780 2.897 2.287 3.350 1.570 6 20 [*****+************-*] 1
25 1 3 LEU QD 1 20 TYR HA . . 2.710 4.303 3.925 4.780 2.070 13 20 [**********-*+*******] 1
26 1 3 LEU QD 1 20 TYR QD . . 1.750 2.322 1.990 3.029 1.279 13 13 "[*** .* - 1* +***** *]" 1
27 1 3 LEU QD 1 20 TYR QE . . 1.550 2.115 1.822 2.343 0.793 14 16 "[****.* ******+*** -]" 1
28 1 3 LEU QD 1 33 PRO QD . . 1.700 3.041 2.763 3.289 1.589 7 20 [******+***-*********] 1
29 1 3 LEU QD 1 33 PRO QG . . 2.080 3.028 2.812 3.433 1.353 9 20 [********+*-*********] 1
30 1 4 PRO HA 1 5 PRO QD . . 1.830 2.222 2.178 2.255 0.425 13 0 "[ . 1 . 2]" 1
31 1 4 PRO QB 1 5 PRO QD . . 1.560 1.861 1.772 1.988 0.428 7 0 "[ . 1 . 2]" 1
32 1 4 PRO QB 1 5 PRO QG . . 3.960 3.358 3.295 3.450 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO QB 1 7 TRP HD1 . . 1.750 3.710 2.792 3.991 2.241 14 20 [******-******+******] 1
34 1 4 PRO QB 1 7 TRP HE1 . . 2.500 5.350 4.341 5.689 3.189 14 20 [******-******+******] 1
35 1 4 PRO QB 1 35 GLY QA . . 1.270 2.415 2.293 2.671 1.401 7 20 [**-***+*************] 1
36 1 4 PRO QD 1 7 TRP QB . . 1.810 2.819 2.519 3.132 1.322 19 20 [*************-****+*] 1
37 1 4 PRO QD 1 7 TRP HD1 . . 2.230 3.293 2.687 3.919 1.689 7 19 "[*****-+****** ******]" 1
38 1 4 PRO QD 1 33 PRO QB . . 1.840 3.391 3.094 4.389 2.549 13 20 [******-*****+*******] 1
39 1 4 PRO QD 1 33 PRO QG . . 2.050 2.531 2.310 3.248 1.198 6 4 "[ .+ -1 **. 2]" 1
40 1 4 PRO QG 1 7 TRP HD1 . . 2.730 1.963 1.904 2.091 . 0 0 "[ . 1 . 2]" 1
41 1 4 PRO QG 1 7 TRP HE1 . . 2.700 3.824 3.243 4.097 1.397 4 20 [***+********-*******] 1
42 1 4 PRO QG 1 33 PRO QB . . 1.680 2.964 2.025 3.954 2.274 14 19 "[****** ***-**+******]" 1
43 1 4 PRO QG 1 33 PRO QG . . 2.280 3.306 2.824 3.703 1.423 14 20 [******-******+******] 1
44 1 4 PRO QG 1 34 SER H . . 3.130 4.870 4.613 5.606 2.476 14 20 [*******-*****+******] 1
45 1 4 PRO QG 1 35 GLY H . . 2.950 3.656 3.367 5.492 2.542 7 18 "[******+**- **** ****]" 1
46 1 4 PRO QG 1 35 GLY QA . . 1.050 2.095 1.872 3.828 2.778 7 20 [******+******-******] 1
47 1 5 PRO HA 1 6 GLY H . . 1.480 2.284 2.163 2.394 0.914 14 20 [****-********+******] 1
48 1 5 PRO HA 1 6 GLY QA . . 2.130 3.916 3.906 3.950 1.820 7 20 [******+**-**********] 1
49 1 5 PRO QB 1 6 GLY H . . 1.910 3.747 3.172 3.895 1.985 14 20 [******-******+******] 1
50 1 5 PRO QB 1 6 GLY QA . . 1.170 4.021 3.762 4.091 2.921 14 20 [******-******+******] 1
51 1 5 PRO QB 1 24 ILE MD . . 1.290 5.386 4.948 5.884 4.594 11 20 [**********+**-******] 1
52 1 5 PRO QD 1 7 TRP HD1 . . 2.830 5.342 4.394 5.750 2.920 14 20 [******-******+******] 1
53 1 5 PRO QG 1 6 GLY H . . 2.600 4.720 4.591 4.757 2.157 10 20 [******-**+**********] 1
54 1 6 GLY H 1 7 TRP H . . 1.520 2.039 1.779 2.858 1.338 7 8 "[ ** + * - * * *]" 1
55 1 6 GLY H 1 24 ILE MD . . 2.780 5.685 5.465 6.155 3.375 5 20 [*-**+***************] 1
56 1 6 GLY H 1 24 ILE QG . . 3.240 4.937 4.530 5.261 2.021 11 20 [**********+*******-*] 1
57 1 6 GLY QA 1 7 TRP H . . 1.820 2.812 2.747 2.879 1.059 16 20 [***************+**-*] 1
58 1 6 GLY QA 1 22 ASN QD . . 1.700 3.208 2.610 4.562 2.862 19 20 [******************+-] 1
59 1 6 GLY QA 1 23 HIS H . . 2.080 4.018 3.488 4.837 2.757 13 20 [******-*****+*******] 1
60 1 6 GLY QA 1 24 ILE H . . 2.140 4.847 3.285 5.467 3.327 13 20 [****-*******+*******] 1
61 1 6 GLY QA 1 24 ILE MD . . 1.940 3.438 3.228 4.028 2.088 5 20 [****+********-******] 1
62 1 6 GLY QA 1 24 ILE QG . . 2.220 2.492 2.276 2.724 0.504 11 1 "[ . 1+ . 2]" 1
63 1 7 TRP HA 1 8 GLU H . . 1.490 2.183 2.141 2.435 0.945 7 20 [**-***+*************] 1
64 1 7 TRP HA 1 22 ASN HA . . 1.610 2.611 1.994 3.422 1.812 13 15 "[*** .* **-**+*.****2]" 1
65 1 7 TRP HA 1 23 HIS H . . 2.560 3.795 3.393 4.344 1.784 13 20 [******-*****+*******] 1
66 1 7 TRP QB 1 8 GLU H . . 1.980 3.149 2.336 3.475 1.495 2 19 "[*+**** *******-*****]" 1
67 1 7 TRP QB 1 33 PRO QD . . 2.360 3.951 3.617 4.639 2.279 7 20 [******+**-**********] 1
68 1 7 TRP QB 1 33 PRO QG . . 2.220 2.677 2.227 3.768 1.548 13 6 "[ .** *1 +*. -2]" 1
69 1 7 TRP HD1 1 22 ASN QD . . 2.160 3.561 3.240 5.165 3.005 19 20 [***********-******+*] 1
70 1 7 TRP HE1 1 22 ASN QB . . 3.240 4.112 3.855 5.199 1.959 13 20 [******-*****+*******] 1
71 1 7 TRP HE1 1 22 ASN QD . . 2.100 2.811 2.485 3.785 1.685 19 17 "[-** ** *******.***+*]" 1
72 1 7 TRP HE1 1 33 PRO QB . . 2.050 2.759 2.346 4.055 2.005 13 14 "[****.***** *+*. * -]" 1
73 1 7 TRP HE1 1 33 PRO QG . . 2.460 3.830 2.731 4.730 2.270 7 18 "[***** +*-**** ******]" 1
74 1 7 TRP HE3 1 8 GLU H . . 1.710 3.205 2.766 3.675 1.965 13 20 [****-*******+*******] 1
75 1 7 TRP HE3 1 20 TYR HA . . 2.260 3.746 3.490 4.351 2.091 13 20 [************+**-****] 1
76 1 7 TRP HE3 1 20 TYR QB . . 1.400 2.132 1.934 2.510 1.110 20 20 [*******-***********+] 1
77 1 7 TRP HE3 1 21 PHE H . . 2.060 2.690 2.444 4.217 2.157 13 7 "[ *. * *+ - * *]" 1
78 1 7 TRP HE3 1 21 PHE HA . . 1.960 3.700 3.098 5.336 3.376 13 20 [******-*****+*******] 1
79 1 7 TRP HE3 1 33 PRO QG . . 2.210 3.784 3.329 4.379 2.169 6 20 [**-**+**************] 1
80 1 7 TRP HH2 1 22 ASN H . . 2.050 3.947 3.666 6.001 3.951 13 20 [***-********+*******] 1
81 1 7 TRP HH2 1 22 ASN QB . . 2.530 3.120 2.860 3.742 1.212 13 9 "[ ** * * *+ * - *]" 1
82 1 7 TRP HH2 1 27 ALA MB . . 1.290 2.844 2.358 4.049 2.759 13 20 [*********-**+*******] 1
83 1 7 TRP HH2 1 29 GLN QB . . 1.930 3.530 2.489 4.289 2.359 13 20 [************+******-] 1
84 1 7 TRP HH2 1 29 GLN QE . . 2.040 4.185 3.001 6.174 4.134 2 20 [*+******-***********] 1
85 1 7 TRP HH2 1 33 PRO QG . . 2.340 5.299 3.283 5.892 3.552 20 20 [************-******+] 1
86 1 7 TRP HZ2 1 22 ASN QB . . 2.090 3.190 2.898 4.162 2.072 13 20 [**-*********+*******] 1
87 1 7 TRP HZ2 1 22 ASN QD . . 2.390 3.341 3.017 3.595 1.205 14 20 [*-***********+******] 1
88 1 7 TRP HZ2 1 27 ALA MB . . 2.110 3.608 3.439 4.511 2.401 13 20 [**********-*+*******] 1
89 1 7 TRP HZ2 1 33 PRO QB . . 2.020 3.468 3.148 4.222 2.202 7 20 [******+***********-*] 1
90 1 7 TRP HZ3 1 20 TYR QB . . 1.680 2.711 2.155 3.346 1.666 4 19 "[**-+******** *******]" 1
91 1 7 TRP HZ3 1 21 PHE HA . . 1.750 2.635 2.090 4.744 2.994 13 16 "[*** *- *****+*.****2]" 1
92 1 7 TRP HZ3 1 22 ASN H . . 1.910 2.970 2.405 5.220 3.310 13 19 "[*** -*******+*******]" 1
93 1 7 TRP HZ3 1 27 ALA MB . . 1.610 4.259 3.480 5.242 3.632 13 20 [******-*****+*******] 1
94 1 7 TRP HZ3 1 28 SER HA . . 2.210 2.875 2.642 3.885 1.675 13 17 "[** *** *****+****- *]" 1
95 1 7 TRP HZ3 1 29 GLN H . . 1.920 2.642 2.193 3.113 1.193 13 16 "[***-** **1* +******2]" 1
96 1 7 TRP HZ3 1 29 GLN QB . . 2.010 4.637 3.288 5.249 3.239 9 20 [***-****+***********] 1
97 1 8 GLU H 1 8 GLU QG . . 2.280 2.988 2.428 4.064 1.784 19 6 "[ ** * - . *+2]" 1
98 1 8 GLU H 1 9 LYS H . . 2.340 4.450 4.298 4.513 2.173 2 20 [*+*-****************] 1
99 1 8 GLU H 1 9 LYS HA . . 2.470 4.983 4.733 5.138 2.668 16 20 [******-********+****] 1
100 1 8 GLU H 1 20 TYR HA . . 2.430 4.652 4.073 5.059 2.629 13 20 [******-*****+*******] 1
101 1 8 GLU H 1 21 PHE H . . 1.910 3.004 2.508 3.837 1.927 13 20 [************+*****-*] 1
102 1 8 GLU H 1 21 PHE HA . . 2.260 4.960 4.475 5.666 3.406 13 20 [****-*******+*******] 1
103 1 8 GLU H 1 21 PHE QB . . 2.690 3.896 3.344 4.411 1.721 13 20 [************+*****-*] 1
104 1 8 GLU H 1 22 ASN HA . . 2.420 3.687 2.916 4.056 1.636 3 19 "[**+ -***************]" 1
105 1 8 GLU H 1 22 ASN QB . . 2.630 5.176 4.510 5.680 3.050 3 20 [**+*-***************] 1
106 1 8 GLU H 1 23 HIS H . . 3.180 4.407 3.946 5.114 1.934 7 20 [***-**+*************] 1
107 1 8 GLU HA 1 8 GLU QG . . 1.970 3.181 2.343 3.414 1.444 3 19 "[**+-************** *]" 1
108 1 8 GLU HA 1 9 LYS H . . 1.580 2.281 2.144 2.358 0.778 9 20 [***-****+***********] 1
109 1 8 GLU QB 1 9 LYS H . . 2.190 3.004 2.578 3.775 1.585 4 15 "[***+**** * * ** **-]" 1
110 1 8 GLU QB 1 10 ARG QG . . 1.170 4.295 2.878 4.686 3.516 6 20 [*****+************-*] 1
111 1 8 GLU QB 1 21 PHE H . . 2.490 4.584 3.310 5.168 2.678 3 20 [**+***************-*] 1
112 1 8 GLU QB 1 21 PHE QB . . 2.260 4.184 2.496 4.982 2.722 15 19 "[**************+**- *]" 1
113 1 8 GLU QB 1 23 HIS HD2 . . 1.960 5.183 2.769 6.947 4.987 15 20 [****-*********+*****] 1
114 1 8 GLU QG 1 9 LYS H . . 2.160 3.365 2.621 3.869 1.709 7 15 "[***-.*+**1* ***** *]" 1
115 1 8 GLU QG 1 10 ARG QG . . 1.880 2.858 2.470 3.353 1.473 13 20 [************+******-] 1
116 1 8 GLU QG 1 21 PHE QB . . 2.110 3.005 2.451 4.442 2.332 19 16 "[*-****** * ** ** *+*]" 1
117 1 9 LYS H 1 9 LYS QG . . 2.190 3.954 3.915 4.051 1.861 19 20 [******************+-] 1
118 1 9 LYS HA 1 10 ARG H . . 1.490 2.162 2.141 2.258 0.768 12 20 [***********+-*******] 1
119 1 9 LYS HA 1 10 ARG QB . . 2.560 4.096 3.937 4.728 2.168 19 20 [***********-******+*] 1
120 1 9 LYS HA 1 10 ARG QG . . 1.350 4.727 3.662 4.978 3.628 6 20 [*****+************-*] 1
121 1 9 LYS HA 1 20 TYR HA . . 1.830 3.214 2.162 3.999 2.169 15 19 "[*** **********+***-*]" 1
122 1 9 LYS HA 1 20 TYR QB . . 2.750 4.577 3.469 5.461 2.711 15 20 [***-**********+*****] 1
123 1 9 LYS HA 1 20 TYR QD . . 1.770 3.509 2.305 4.530 2.760 20 20 [***-***************+] 1
124 1 9 LYS HA 1 20 TYR QE . . 1.880 4.642 2.918 5.349 3.469 3 20 [**+*********-*******] 1
125 1 9 LYS HA 1 21 PHE H . . 2.130 4.174 3.424 4.822 2.692 7 20 [***-**+*************] 1
126 1 9 LYS QB 1 10 ARG H . . 2.210 3.735 3.450 3.957 1.747 19 20 [***********-******+*] 1
127 1 9 LYS QB 1 20 TYR QE . . 1.920 4.637 2.210 5.707 3.787 20 19 "[***-************** +]" 1
128 1 9 LYS QD 1 18 VAL QG . . 1.720 4.036 2.801 4.578 2.858 20 20 [******************-+] 1
129 1 9 LYS QE 1 10 ARG H . . 2.870 5.286 4.493 6.045 3.175 19 20 [*********-********+*] 1
130 1 9 LYS QE 1 18 VAL QG . . 2.050 3.436 2.690 4.258 2.208 7 20 [******+**-**********] 1
131 1 9 LYS QG 1 10 ARG H . . 1.950 2.973 2.366 3.219 1.269 15 17 "[*** *****1* **+****-]" 1
132 1 9 LYS QG 1 18 VAL QG . . 1.230 3.353 2.232 3.788 2.558 5 20 [****+*************-*] 1
133 1 9 LYS QG 1 20 TYR HA . . 2.010 4.502 3.849 5.213 3.203 7 20 [******+**-**********] 1
134 1 9 LYS QG 1 20 TYR QE . . 1.570 3.891 2.438 4.574 3.004 20 20 [*****************-*+] 1
135 1 10 ARG H 1 10 ARG QD . . 1.660 4.827 4.347 4.989 3.329 10 20 [*********+********-*] 1
136 1 10 ARG H 1 10 ARG QG . . 1.910 3.642 2.430 3.839 1.929 4 20 [***+**************-*] 1
137 1 10 ARG H 1 11 MET H . . 3.220 4.469 4.403 4.515 1.295 3 20 [**+******-**********] 1
138 1 10 ARG H 1 18 VAL QG . . 2.510 4.434 3.549 5.001 2.491 8 20 [*******+****-*******] 1
139 1 10 ARG H 1 19 TYR H . . 2.210 3.727 2.967 4.947 2.737 14 20 [***********-*+******] 1
140 1 10 ARG H 1 20 TYR HA . . 2.210 3.263 2.829 4.065 1.855 20 20 [*****-*************+] 1
141 1 10 ARG H 1 20 TYR QD . . 2.580 4.791 3.737 5.588 3.008 20 20 [*****-*************+] 1
142 1 10 ARG H 1 21 PHE H . . 2.290 4.255 3.775 4.669 2.379 20 20 [************-******+] 1
143 1 10 ARG HA 1 10 ARG QD . . 1.720 3.772 3.525 3.846 2.126 17 20 [**************-*+***] 1
144 1 10 ARG HA 1 11 MET H . . 1.700 2.373 2.274 2.490 0.790 19 20 [**************-***+*] 1
145 1 10 ARG HA 1 11 MET QB . . 2.100 3.900 3.856 3.984 1.884 19 20 [**********-*******+*] 1
146 1 10 ARG QB 1 10 ARG QD . . 1.700 1.967 1.916 2.434 0.734 19 1 "[ . 1 . +2]" 1
147 1 10 ARG QB 1 11 MET H . . 1.680 2.665 2.372 2.893 1.213 15 20 [**************+***-*] 1
148 1 10 ARG QB 1 19 TYR H . . 2.620 4.200 3.726 4.622 2.002 18 20 [******-**********+**] 1
149 1 10 ARG QB 1 19 TYR QD . . 2.080 3.519 3.230 3.909 1.829 6 20 [*****+****-*********] 1
150 1 10 ARG QB 1 19 TYR QE . . 1.490 2.828 2.396 3.298 1.808 6 20 [***-*+**************] 1
151 1 10 ARG QB 1 21 PHE QB . . 2.560 2.856 2.486 4.201 1.641 19 2 "[ . - 1 . +2]" 1
152 1 10 ARG QD 1 10 ARG QH2 . . 2.880 3.631 3.610 3.677 0.797 20 20 [******-************+] 1
153 1 10 ARG QD 1 11 MET H . . 2.650 3.714 3.310 4.721 2.071 19 20 [**********-*******+*] 1
154 1 10 ARG QD 1 19 TYR QE . . 1.680 3.052 2.501 4.134 2.454 19 20 [*************-****+*] 1
155 1 10 ARG QD 1 21 PHE H . . 1.830 5.278 4.954 5.601 3.771 5 20 [****+*******-*******] 1
156 1 10 ARG QD 1 21 PHE QB . . 2.470 2.903 2.703 3.257 0.787 19 7 "[ ** 1* - * +*]" 1
157 1 10 ARG QG 1 10 ARG QH2 . . 3.080 3.938 3.715 4.458 1.378 19 20 [**********-*******+*] 1
158 1 10 ARG QG 1 11 MET H . . 2.300 3.192 2.873 4.248 1.948 19 20 [********-*********+*] 1
159 1 10 ARG QG 1 19 TYR QE . . 0.730 4.290 2.994 4.758 4.028 6 20 [*****+************-*] 1
160 1 10 ARG QG 1 21 PHE H . . 1.520 4.479 3.902 4.981 3.461 14 20 [*************+****-*] 1
161 1 10 ARG QG 1 21 PHE QB . . 1.840 2.832 2.447 3.228 1.388 14 20 [*************+*-****] 1
162 1 11 MET H 1 11 MET QB . . 2.240 2.473 2.353 2.551 0.311 18 0 "[ . 1 . 2]" 1
163 1 11 MET H 1 11 MET ME . . 2.770 5.737 4.788 6.055 3.285 7 20 [-*****+*************] 1
164 1 11 MET H 1 11 MET QG . . 2.250 4.017 3.852 4.139 1.889 18 20 [****************-+**] 1
165 1 11 MET H 1 12 SER H . . 2.940 4.438 4.361 4.489 1.549 6 20 [*****+*****-********] 1
166 1 11 MET H 1 12 SER HA . . 2.280 4.947 4.876 5.096 2.816 19 20 [************-*****+*] 1
167 1 11 MET H 1 19 TYR H . . 2.680 5.312 4.908 5.705 3.025 9 20 [******-*+***********] 1
168 1 11 MET H 1 19 TYR QE . . 2.610 4.703 3.637 5.195 2.585 3 20 [**+**************-**] 1
169 1 11 MET QB 1 12 SER H . . 1.660 2.742 2.176 3.507 1.847 19 20 [****************-*+*] 1
170 1 11 MET QB 1 18 VAL HA . . 1.800 4.559 3.477 5.237 3.437 6 20 [*****+************-*] 1
171 1 11 MET QB 1 19 TYR H . . 2.690 5.429 4.643 5.806 3.116 9 20 [********+*********-*] 1
172 1 11 MET ME 1 12 SER H . . 2.060 3.722 2.556 4.484 2.424 19 19 [*-*******1********+*] 1
173 1 11 MET QG 1 12 SER H . . 1.640 2.282 2.136 2.808 1.168 4 19 "[***+*****-******** *]" 1
174 1 11 MET QG 1 18 VAL HA . . 0.930 3.206 2.579 3.702 2.772 6 20 [*****+*********-****] 1
175 1 11 MET QG 1 18 VAL QG . . 2.340 2.166 1.792 3.183 0.843 19 2 "[ . 1 . -+2]" 1
176 1 12 SER H 1 16 GLY H . . 2.490 4.470 3.870 5.826 3.336 19 20 [***-**************+*] 1
177 1 12 SER H 1 17 ARG H . . 2.380 4.681 2.969 5.459 3.079 6 20 [*****+**********-***] 1
178 1 12 SER H 1 17 ARG HA . . 2.340 5.616 4.769 6.202 3.862 6 20 [*****+************-*] 1
179 1 12 SER H 1 18 VAL HA . . 2.480 3.805 3.441 4.159 1.679 12 20 [***********+******-*] 1
180 1 12 SER H 1 19 TYR H . . 2.680 5.418 4.171 6.163 3.483 12 20 [***********+*-******] 1
181 1 12 SER H 1 19 TYR QD . . 1.700 4.823 3.404 5.701 4.001 12 20 [***********+*****-**] 1
182 1 12 SER H 1 19 TYR QE . . 2.170 3.852 2.983 4.409 2.239 12 20 [***********+******-*] 1
183 1 12 SER HA 1 19 TYR QE . . 1.580 2.935 2.082 4.083 2.503 9 20 [********+*********-*] 1
184 1 12 SER QB 1 14 ASN H . . 1.900 3.180 2.403 4.442 2.542 19 20 [********-*********+*] 1
185 1 12 SER QB 1 14 ASN QB . . 1.660 4.521 3.707 5.470 3.810 5 20 [****+***-***********] 1
186 1 12 SER QB 1 15 SER H . . 1.910 3.332 2.738 3.768 1.858 15 20 [**************+***-*] 1
187 1 12 SER QB 1 15 SER QB . . 1.460 3.246 2.493 4.992 3.532 14 20 [***-*********+******] 1
188 1 12 SER QB 1 17 ARG H . . 1.650 3.478 2.144 4.831 3.181 14 19 "[*************+**-* *]" 1
189 1 12 SER QB 1 17 ARG QB . . 2.060 3.704 2.919 4.710 2.650 9 20 [********+****-******] 1
190 1 12 SER QB 1 19 TYR QD . . 1.890 3.642 2.810 4.586 2.696 9 20 [********+***-*******] 1
191 1 12 SER QB 1 19 TYR QE . . 1.910 2.632 2.237 3.397 1.487 7 12 "[*-****+ ** . ***2]" 1
192 1 13 ARG HA 1 13 ARG QD . . 2.990 4.288 3.955 4.555 1.565 10 20 [***-*****+**********] 1
193 1 13 ARG HA 1 13 ARG QG . . 2.260 2.692 2.229 3.346 1.086 9 5 "[ . +* * - * 2]" 1
194 1 13 ARG HA 1 14 ASN H . . 2.290 3.261 2.773 3.572 1.282 19 19 "[**************** *+-]" 1
195 1 13 ARG HA 1 14 ASN HA . . 2.550 4.499 4.371 4.716 2.166 19 20 [****************-*+*] 1
196 1 13 ARG HA 1 16 GLY H . . 2.580 5.131 4.381 7.439 4.859 19 20 [*************-****+*] 1
197 1 13 ARG QB 1 14 ASN H . . 2.000 3.218 2.231 4.048 2.048 17 18 "[*** **-*********+* *]" 1
198 1 13 ARG QB 1 14 ASN QD . . 1.490 5.217 2.855 6.603 5.113 13 20 [************+*****-*] 1
199 1 13 ARG QG 1 14 ASN H . . 2.490 3.821 2.905 4.467 1.977 14 19 [********-1***+******] 1
200 1 14 ASN H 1 14 ASN QD . . 2.320 4.325 2.791 5.007 2.687 13 19 "[************+****- *]" 1
201 1 14 ASN H 1 15 SER H . . 1.800 2.763 2.149 3.333 1.533 4 17 "[***+******* **-* **2]" 1
202 1 14 ASN H 1 16 GLY H . . 2.190 4.117 2.813 6.985 4.795 19 20 [****************-*+*] 1
203 1 14 ASN HA 1 15 SER H . . 1.900 2.972 2.612 3.569 1.669 17 20 [*****-**********+***] 1
204 1 14 ASN QB 1 15 SER H . . 1.340 3.442 2.080 4.040 2.700 5 20 [****+********-******] 1
205 1 14 ASN QB 1 15 SER HA . . 1.940 4.559 3.793 4.958 3.018 4 20 [***+*************-**] 1
206 1 14 ASN QB 1 16 GLY H . . 2.260 5.283 4.114 6.131 3.871 19 20 [****************-*+*] 1
207 1 15 SER H 1 15 SER QB . . 2.010 2.880 2.558 3.354 1.344 15 20 [**************+*-***] 1
208 1 15 SER H 1 16 GLY H . . 1.760 2.690 2.123 4.453 2.693 19 17 "[*********** **-* *+2]" 1
209 1 15 SER H 1 17 ARG H . . 2.180 5.022 4.350 5.893 3.713 14 20 [*************+*****-] 1
210 1 15 SER H 1 17 ARG QB . . 2.660 6.251 4.951 6.624 3.964 3 20 [**+**********-******] 1
211 1 15 SER HA 1 16 GLY H . . 1.990 3.481 2.616 3.575 1.585 9 20 [********+*********-*] 1
212 1 15 SER HA 1 17 ARG H . . 2.880 4.975 4.399 6.655 3.775 12 20 [*****-*****+********] 1
213 1 15 SER QB 1 16 GLY H . . 1.770 2.530 2.082 4.054 2.284 14 8 "[ . *1 * +*-** *]" 1
214 1 15 SER QB 1 17 ARG H . . 2.080 3.224 2.260 5.944 3.864 12 7 "[ . 1 + ** **-*]" 1
215 1 15 SER QB 1 17 ARG QD . . 2.190 3.303 1.974 4.886 2.696 12 13 "[ **.* * 1 +******-*]" 1
216 1 15 SER QB 1 17 ARG QG . . 1.870 3.579 2.263 6.175 4.305 12 19 "[***********+-***** *]" 1
217 1 16 GLY H 1 17 ARG QB . . 2.510 4.246 3.720 4.998 2.488 14 20 [*************+-*****] 1
218 1 16 GLY QA 1 18 VAL H . . 1.910 5.883 5.358 5.981 4.071 15 20 [**************+***-*] 1
219 1 17 ARG H 1 17 ARG QD . . 2.720 3.562 2.393 5.173 2.453 15 13 "[ **.- * 1 ***+*****]" 1
220 1 17 ARG H 1 17 ARG QG . . 1.690 2.375 1.917 4.192 2.502 12 5 "[ . 1 + -* ** 2]" 1
221 1 17 ARG H 1 18 VAL H . . 3.110 4.513 4.092 4.608 1.498 20 20 [*****************-*+] 1
222 1 17 ARG HA 1 17 ARG QG . . 2.220 2.549 2.037 3.326 1.106 19 2 "[ . 1 . -+2]" 1
223 1 17 ARG HA 1 18 VAL H . . 1.890 2.570 2.168 2.739 0.849 12 18 "[***********+***** -]" 1
224 1 17 ARG HA 1 18 VAL HB . . 2.600 5.492 4.593 5.718 3.118 10 20 [*****-***+**********] 1
225 1 17 ARG HA 1 18 VAL QG . . 2.300 3.204 3.045 3.637 1.337 18 20 [*************-***+**] 1
226 1 17 ARG QB 1 17 ARG QD . . 1.530 2.420 2.318 2.474 0.944 14 20 [*************+**-***] 1
227 1 17 ARG QB 1 17 ARG QG . . 1.960 2.061 2.020 2.087 0.127 16 0 "[ . 1 . 2]" 1
228 1 17 ARG QB 1 18 VAL H . . 1.640 2.185 2.005 3.082 1.442 19 4 "[ - . 1 . *+*]" 1
229 1 17 ARG QB 1 30 PHE QE . . 2.520 4.876 3.403 6.062 3.542 16 20 [**********-****+****] 1
230 1 17 ARG QD 1 18 VAL H . . 3.260 4.842 3.780 5.745 2.485 19 20 [*************-****+*] 1
231 1 17 ARG QD 1 30 PHE QE . . 2.870 5.621 4.843 6.889 4.019 12 20 [***********+*-******] 1
232 1 17 ARG QG 1 18 VAL H . . 1.780 3.701 2.243 4.306 2.526 18 19 [***********-**.**+**] 1
233 1 17 ARG QH2 1 30 PHE QB . . 2.000 4.009 2.539 5.273 3.273 16 20 [************-**+****] 1
234 1 18 VAL H 1 18 VAL QG . . 1.720 2.264 2.101 2.832 1.112 6 10 "[ *.+ - 1 **** ***2]" 1
235 1 18 VAL HA 1 18 VAL QG . . 1.720 2.217 2.116 2.304 0.584 8 14 "[***** *+*- * *** *]" 1
236 1 18 VAL HA 1 19 TYR H . . 1.530 2.370 2.176 2.438 0.908 10 20 [*********+**-*******] 1
237 1 18 VAL HB 1 19 TYR H . . 2.030 2.783 2.312 4.326 2.296 13 5 "[ .- 1 +*. **2]" 1
238 1 18 VAL QG 1 19 TYR H . . 1.770 3.013 2.244 3.727 1.957 14 17 "[***** ****-**+*** *]" 1
239 1 18 VAL QG 1 19 TYR HA . . 1.170 3.745 3.152 4.185 3.015 14 20 [*****-*******+******] 1
240 1 18 VAL QG 1 20 TYR H . . 2.130 5.559 4.668 5.825 3.695 17 20 [****************+-**] 1
241 1 18 VAL QG 1 20 TYR QE . . 1.720 4.813 3.999 5.319 3.599 17 20 [****************+*-*] 1
242 1 19 TYR H 1 19 TYR QB . . 2.090 3.241 2.695 3.377 1.287 12 20 [***********+*-******] 1
243 1 19 TYR H 1 19 TYR QD . . 2.010 3.082 2.627 3.436 1.426 9 20 [********+-**********] 1
244 1 19 TYR H 1 20 TYR H . . 2.430 4.379 4.347 4.571 2.141 14 20 [***-*********+******] 1
245 1 19 TYR HA 1 20 TYR H . . 1.720 2.601 2.443 2.664 0.944 4 20 [***+*************-**] 1
246 1 19 TYR QB 1 20 TYR H . . 1.340 2.022 1.923 2.411 1.071 18 20 [****************-+**] 1
247 1 19 TYR QB 1 29 GLN H . . 0.910 4.957 4.203 5.706 4.796 18 20 [**************-**+**] 1
248 1 19 TYR QB 1 30 PHE QD . . 1.510 2.261 1.901 2.998 1.488 14 14 "[***-* * *1* +* ****]" 1
249 1 19 TYR QB 1 30 PHE QE . . 1.010 3.168 2.237 3.796 2.786 4 20 [*-*+****************] 1
250 1 19 TYR QD 1 20 TYR H . . 1.650 3.046 2.563 3.240 1.590 12 20 [***-*******+********] 1
251 1 19 TYR QD 1 28 SER QB . . 0.620 4.263 3.108 5.377 4.757 19 20 [*********-********+*] 1
252 1 19 TYR QD 1 29 GLN H . . 1.610 5.079 4.148 6.044 4.434 11 20 [**-*******+*********] 1
253 1 19 TYR QE 1 21 PHE QB . . 1.590 3.001 2.370 3.398 1.808 11 20 [**********+*-*******] 1
254 1 19 TYR QE 1 21 PHE QD . . 1.400 3.957 3.246 4.666 3.266 2 20 [*+*****************-] 1
255 1 20 TYR H 1 28 SER HA . . 2.630 5.177 4.589 5.561 2.931 19 20 [**************-***+*] 1
256 1 20 TYR H 1 29 GLN H . . 2.060 4.409 3.586 5.010 2.950 18 20 [**************-**+**] 1
257 1 20 TYR H 1 30 PHE QD . . 2.500 4.435 3.428 4.861 2.361 5 20 [****+**********-****] 1
258 1 20 TYR HA 1 20 TYR QB . . 2.010 2.327 2.278 2.454 0.444 13 0 "[ . 1 . 2]" 1
259 1 20 TYR HA 1 21 PHE H . . 1.510 2.245 2.160 2.360 0.850 6 20 [*****+******-*******] 1
260 1 20 TYR QB 1 21 PHE H . . 1.760 2.822 2.505 3.169 1.409 13 20 [*****-******+*******] 1
261 1 20 TYR QB 1 29 GLN H . . 1.940 3.743 3.021 4.257 2.317 18 20 [*************-***+**] 1
262 1 20 TYR QB 1 29 GLN QB . . 2.220 4.671 2.587 5.611 3.391 6 19 [*****+*******-*****2] 1
263 1 20 TYR QB 1 33 PRO QD . . 1.740 2.926 2.529 3.454 1.714 13 20 [***-********+*******] 1
264 1 20 TYR QB 1 33 PRO QG . . 2.060 3.369 2.709 4.218 2.158 13 20 [******-*****+*******] 1
265 1 20 TYR QD 1 21 PHE H . . 2.410 4.110 3.360 4.446 2.036 12 20 [***********+-*******] 1
266 1 20 TYR QD 1 32 ARG H . . 2.580 4.558 3.929 5.215 2.635 7 20 [***-**+*************] 1
267 1 20 TYR QD 1 32 ARG HA . . 1.810 3.200 2.412 3.822 2.012 14 20 [***-*********+******] 1
268 1 20 TYR QD 1 33 PRO QD . . 1.720 2.972 2.569 3.373 1.653 14 20 [*************+*****-] 1
269 1 20 TYR QE 1 32 ARG H . . 2.480 3.469 2.992 4.038 1.558 18 20 [*************-***+**] 1
270 1 20 TYR QE 1 32 ARG HA . . 1.990 2.830 2.643 3.088 1.098 14 20 [***-*********+******] 1
271 1 20 TYR QE 1 32 ARG QB . . 1.730 2.966 2.117 3.503 1.773 11 18 "[***-* ****+* *******]" 1
272 1 20 TYR QE 1 32 ARG QG . . 0.750 3.210 2.618 3.923 3.173 11 20 [*****-****+*********] 1
273 1 20 TYR QE 1 33 PRO QD . . 2.040 3.346 2.769 3.911 1.871 13 20 [************+******-] 1
274 1 21 PHE H 1 22 ASN H . . 2.480 4.264 4.075 4.503 2.023 13 20 [****-*******+*******] 1
275 1 21 PHE HA 1 21 PHE QD . . 1.810 2.667 2.202 3.130 1.320 20 17 "[******** -** *****+]" 1
276 1 21 PHE HA 1 22 ASN H . . 1.520 2.154 2.139 2.223 0.703 13 20 [***********-+*******] 1
277 1 21 PHE HA 1 22 ASN QB . . 2.600 4.062 3.983 4.101 1.501 10 20 [*********+**-*******] 1
278 1 21 PHE HA 1 27 ALA MB . . 2.060 4.932 4.076 5.552 3.492 13 20 [************+******-] 1
279 1 21 PHE HA 1 28 SER QB . . 2.010 3.604 2.923 4.746 2.736 4 20 [-**+****************] 1
280 1 21 PHE QB 1 22 ASN H . . 2.900 3.761 3.554 3.874 0.974 5 20 [****+*******-*******] 1
281 1 21 PHE QB 1 28 SER HA . . 2.210 4.154 3.136 4.838 2.628 13 20 [***-********+*******] 1
282 1 21 PHE QB 1 28 SER QB . . 1.660 4.093 3.348 5.087 3.427 14 20 [-************+******] 1
283 1 21 PHE QD 1 22 ASN H . . 1.440 3.358 2.864 3.875 2.435 5 20 [*-**+***************] 1
284 1 21 PHE QD 1 28 SER QB . . 1.730 2.576 2.274 3.113 1.383 2 20 [*+********-*********] 1
285 1 21 PHE HZ 1 26 ASN QB . . 1.740 4.892 2.785 5.739 3.999 13 20 [************+******-] 1
286 1 22 ASN H 1 22 ASN QD . . 3.410 4.573 4.467 4.811 1.401 14 20 [***-*********+******] 1
287 1 22 ASN H 1 23 HIS H . . 2.840 4.338 4.057 4.532 1.692 7 20 [******+***********-*] 1
288 1 22 ASN H 1 26 ASN HA . . 2.340 5.257 4.771 5.672 3.332 18 20 [**-**************+**] 1
289 1 22 ASN H 1 27 ALA H . . 1.700 3.774 3.074 4.158 2.458 18 20 [****-************+**] 1
290 1 22 ASN H 1 27 ALA MB . . 1.660 3.642 2.992 4.369 2.709 13 20 [************+*-*****] 1
291 1 22 ASN HA 1 22 ASN QD . . 2.360 3.144 2.698 3.950 1.590 19 14 "[** ** ** * - ** **+*]" 1
292 1 22 ASN HA 1 23 HIS H . . 1.530 2.156 2.143 2.225 0.695 19 20 [-*****************+*] 1
293 1 22 ASN HA 1 24 ILE H . . 1.900 3.770 3.164 4.013 2.113 14 20 [*************+****-*] 1
294 1 22 ASN HA 1 25 THR H . . 2.010 4.887 4.117 5.177 3.167 4 20 [***+**************-*] 1
295 1 22 ASN QB 1 23 HIS H . . 2.540 3.858 3.655 4.006 1.466 19 20 [******************+-] 1
296 1 22 ASN QB 1 25 THR H . . 1.640 3.289 2.844 3.671 2.031 14 20 [*************+*****-] 1
297 1 22 ASN QB 1 25 THR MG . . 1.870 4.936 3.950 5.529 3.659 18 20 [******-**********+**] 1
298 1 22 ASN QB 1 26 ASN H . . 2.320 4.264 3.047 4.716 2.396 14 20 [****-********+******] 1
299 1 22 ASN QB 1 27 ALA H . . 1.780 2.499 2.051 3.223 1.443 4 17 "[*- +******** ***** *]" 1
300 1 22 ASN QB 1 27 ALA MB . . 1.420 2.361 2.173 2.772 1.352 5 20 [**-*+***************] 1
301 1 22 ASN QB 1 28 SER HA . . 2.270 4.287 3.524 5.570 3.300 4 20 [***+********-*******] 1
302 1 22 ASN QD 1 24 ILE H . . 3.060 3.962 3.753 4.222 1.162 4 20 [**-+****************] 1
303 1 22 ASN QD 1 24 ILE HB . . 1.890 2.861 2.407 3.550 1.660 19 20 [*************-****+*] 1
304 1 22 ASN QD 1 24 ILE MD . . 2.660 4.837 4.575 5.716 3.056 19 20 [*************-****+*] 1
305 1 22 ASN QD 1 25 THR H . . 2.150 3.917 3.008 4.506 2.356 20 20 [******************-+] 1
306 1 22 ASN QD 1 25 THR MG . . 1.770 4.743 3.052 5.588 3.818 13 20 [************+-******] 1
307 1 22 ASN QD 1 27 ALA H . . 2.600 5.077 3.697 5.861 3.261 4 20 [***+**************-*] 1
308 1 22 ASN QD 1 27 ALA MB . . 1.890 4.014 2.508 4.346 2.456 4 20 [***+**************-*] 1
309 1 23 HIS H 1 23 HIS QB . . 1.920 2.607 2.400 2.715 0.795 5 19 "[****+*-*********** *]" 1
310 1 23 HIS H 1 23 HIS HD2 . . 1.810 2.215 2.003 4.332 2.522 15 2 "[ - 1 + 2]" 1
311 1 23 HIS H 1 24 ILE H . . 1.850 2.987 2.374 3.381 1.531 14 20 [****-********+******] 1
312 1 23 HIS H 1 24 ILE HA . . 2.750 5.075 5.014 5.271 2.521 14 20 [***-*********+******] 1
313 1 23 HIS H 1 24 ILE HB . . 2.670 4.620 4.364 4.870 2.200 14 20 [****-********+******] 1
314 1 23 HIS H 1 24 ILE QG . . 2.180 3.524 3.258 4.409 2.229 5 20 [****+***********-***] 1
315 1 23 HIS H 1 25 THR H . . 2.390 4.765 4.120 5.063 2.673 14 20 [****-********+******] 1
316 1 23 HIS HA 1 24 ILE H . . 1.950 2.892 2.670 3.492 1.542 5 20 [****+********-******] 1
317 1 23 HIS HA 1 24 ILE HA . . 2.610 4.457 4.374 4.776 2.166 5 20 [****+********-******] 1
318 1 23 HIS HA 1 26 ASN H . . 2.020 3.761 3.309 3.923 1.903 12 20 [****-******+********] 1
319 1 23 HIS HA 1 26 ASN HA . . 2.250 3.945 3.110 4.186 1.936 14 20 [****-********+******] 1
320 1 23 HIS QB 1 24 ILE H . . 2.810 4.008 3.491 4.054 1.244 8 20 [****-**+************] 1
321 1 23 HIS HD2 1 24 ILE H . . 2.660 3.550 3.297 4.779 2.119 15 20 [**************+***-*] 1
322 1 23 HIS HD2 1 24 ILE HA . . 2.700 4.374 3.909 6.349 3.649 5 20 [****+*********-*****] 1
323 1 23 HIS HD2 1 24 ILE MD . . 2.360 3.319 2.655 6.164 3.804 5 18 "[-***+*********.* ***]" 1
324 1 23 HIS HD2 1 24 ILE QG . . 2.170 2.243 1.951 4.891 2.721 5 3 "[ + 1 - *2]" 1
325 1 24 ILE H 1 24 ILE MD . . 2.230 3.946 3.727 4.186 1.956 18 20 [****************-+**] 1
326 1 24 ILE H 1 24 ILE QG . . 1.850 2.966 2.669 3.227 1.377 18 20 [****-************+**] 1
327 1 24 ILE H 1 24 ILE MG . . 2.300 3.818 3.637 3.894 1.594 14 20 [*************+****-*] 1
328 1 24 ILE H 1 25 THR H . . 1.610 2.000 1.889 2.621 1.011 5 2 "[ + 1 . -2]" 1
329 1 24 ILE H 1 25 THR MG . . 2.420 4.959 3.758 5.960 3.540 5 20 [*-**+***************] 1
330 1 24 ILE H 1 26 ASN H . . 2.470 3.063 2.863 3.612 1.142 5 15 "[** *+**-*1* ******]" 1
331 1 24 ILE HA 1 24 ILE MD . . 1.950 2.135 2.110 2.158 0.208 17 0 "[ . 1 . 2]" 1
332 1 24 ILE HA 1 24 ILE QG . . 1.890 2.793 2.571 2.936 1.046 17 20 [****-***********+***] 1
333 1 24 ILE HA 1 24 ILE MG . . 1.680 2.403 2.348 2.565 0.885 5 20 [-***+***************] 1
334 1 24 ILE HA 1 25 THR H . . 2.050 3.535 3.504 3.551 1.501 6 20 [*****+************-*] 1
335 1 24 ILE HA 1 26 ASN H . . 2.720 4.267 4.116 4.419 1.699 5 20 [****+*************-*] 1
336 1 24 ILE HB 1 25 THR H . . 1.740 2.650 2.510 2.919 1.179 19 20 [***************-**+*] 1
337 1 24 ILE HB 1 25 THR HA . . 2.500 4.719 4.617 4.921 2.421 19 20 [***************-**+*] 1
338 1 24 ILE HB 1 25 THR MG . . 1.610 4.115 2.482 5.414 3.804 19 20 [*-****************+*] 1
339 1 24 ILE MD 1 25 THR H . . 2.650 4.697 4.632 4.764 2.114 15 20 [**********-***+*****] 1
340 1 24 ILE QG 1 24 ILE MG . . 1.510 2.298 2.246 2.347 0.837 15 20 [************-*+*****] 1
341 1 24 ILE QG 1 25 THR H . . 2.480 4.084 3.977 4.356 1.876 19 20 [-*****************+*] 1
342 1 24 ILE MG 1 25 THR H . . 2.350 3.373 2.980 3.558 1.208 17 20 [****-***********+***] 1
343 1 24 ILE MG 1 25 THR HA . . 1.760 3.745 3.252 3.882 2.122 17 20 [****-***********+***] 1
344 1 24 ILE MG 1 26 ASN H . . 2.730 4.824 4.603 4.928 2.198 3 20 [**+*-***************] 1
345 1 25 THR H 1 25 THR MG . . 1.660 3.423 2.382 3.913 2.253 19 20 [*-****************+*] 1
346 1 25 THR H 1 26 ASN H . . 1.630 2.401 2.159 2.557 0.927 16 20 [****-**********+****] 1
347 1 25 THR H 1 27 ALA H . . 2.710 3.236 3.042 4.179 1.469 4 8 "[ * +* * 1 *- **]" 1
348 1 25 THR HA 1 25 THR MG . . 2.250 2.215 2.003 2.598 0.348 2 0 "[ . 1 . 2]" 1
349 1 25 THR HA 1 26 ASN H . . 1.940 2.998 2.938 3.424 1.484 5 20 [****+********-******] 1
350 1 25 THR HA 1 26 ASN QB . . 2.680 4.001 3.787 4.665 1.985 20 20 [************-******+] 1
351 1 25 THR HB 1 26 ASN H . . 2.370 4.190 3.171 4.575 2.205 2 20 [*+**-***************] 1
352 1 25 THR HB 1 27 ALA H . . 2.600 3.961 3.010 6.118 3.518 4 18 "[***+.*******-***** *]" 1
353 1 25 THR HB 1 27 ALA MB . . 2.230 3.155 2.573 4.480 2.250 4 17 "[***+.******* ****- *]" 1
354 1 25 THR MG 1 26 ASN H . . 2.750 4.330 4.151 4.430 1.680 15 20 [*-************+*****] 1
355 1 25 THR MG 1 27 ALA H . . 2.920 4.757 4.040 5.734 2.814 4 20 [***+**************-*] 1
356 1 26 ASN H 1 26 ASN QB . . 1.990 3.062 2.785 3.321 1.331 3 20 [**+***********-*****] 1
357 1 26 ASN H 1 26 ASN QD . . 3.340 4.135 2.731 5.000 1.660 4 18 "[** +** -************]" 1
358 1 26 ASN H 1 27 ALA H . . 1.910 2.883 2.595 3.423 1.513 4 20 [***+-***************] 1
359 1 26 ASN H 1 27 ALA MB . . 3.040 4.398 4.217 4.491 1.451 19 20 [****-*************+*] 1
360 1 26 ASN HA 1 26 ASN QD . . 2.050 2.759 2.464 4.003 1.953 20 14 "[******* *** -* * +]" 1
361 1 26 ASN HA 1 27 ALA H . . 1.580 2.803 2.306 2.924 1.344 13 20 [***-********+*******] 1
362 1 26 ASN HA 1 27 ALA MB . . 2.230 4.574 4.251 4.678 2.448 13 20 [***-********+*******] 1
363 1 26 ASN QB 1 27 ALA H . . 2.360 3.862 3.777 4.046 1.686 4 20 [***+********-*******] 1
364 1 27 ALA H 1 28 SER H . . 2.540 4.457 2.956 4.582 2.042 15 19 "[** -**********+*****]" 1
365 1 27 ALA HA 1 28 SER H . . 1.560 2.429 2.185 3.553 1.993 3 20 [**+-****************] 1
366 1 27 ALA HA 1 28 SER HA . . 2.700 4.560 4.395 5.354 2.654 3 20 [**+-****************] 1
367 1 27 ALA MB 1 28 SER H . . 1.440 2.515 2.026 2.957 1.517 4 20 [**-+****************] 1
368 1 27 ALA MB 1 28 SER HA . . 2.630 3.804 3.718 4.114 1.484 4 20 [***+****-***********] 1
369 1 28 SER H 1 28 SER QB . . 1.970 2.929 2.379 3.239 1.269 11 19 "[*** ******+***-*****]" 1
370 1 28 SER H 1 29 GLN H . . 2.500 3.569 3.132 4.189 1.689 19 20 [***********-******+*] 1
371 1 28 SER HA 1 29 GLN H . . 1.560 2.240 2.140 2.371 0.811 12 20 [***********+-*******] 1
372 1 28 SER HA 1 29 GLN QB . . 2.060 4.540 4.218 4.793 2.733 10 20 [*********+***-******] 1
373 1 28 SER QB 1 29 GLN H . . 2.240 3.831 3.552 4.008 1.768 18 20 [*******-*********+**] 1
374 1 29 GLN H 1 29 GLN QG . . 1.640 2.635 1.953 4.068 2.428 4 15 "[***+.*** -* **** **]" 1
375 1 29 GLN HA 1 30 PHE H . . 1.660 2.333 2.162 2.365 0.705 11 20 [***-******+*********] 1
376 1 29 GLN QB 1 29 GLN QE . . 1.730 3.281 2.148 3.573 1.843 10 19 "[*********+**-**** **]" 1
377 1 29 GLN QB 1 30 PHE H . . 1.830 2.753 2.485 3.686 1.856 4 20 [***+******-*********] 1
378 1 29 GLN QB 1 31 GLU H . . 1.530 2.943 2.609 4.061 2.531 7 20 [******+-************] 1
379 1 29 GLN QE 1 31 GLU H . . 2.490 4.046 3.128 5.551 3.061 9 20 [********+***-*******] 1
380 1 29 GLN QE 1 31 GLU QB . . 2.070 3.006 2.243 5.651 3.581 9 16 "[* * ****+**- **** **]" 1
381 1 29 GLN QE 1 31 GLU QG . . 2.720 3.827 2.082 4.319 1.599 16 17 "[***********- *+***2]" 1
382 1 29 GLN QE 1 32 ARG H . . 3.050 5.008 3.993 6.236 3.186 9 20 [******-*+***********] 1
383 1 29 GLN QE 1 32 ARG HA . . 2.730 4.616 3.516 6.483 3.753 2 20 [*+****-*************] 1
384 1 29 GLN QE 1 33 PRO HA . . 2.040 3.094 2.349 5.077 3.037 2 16 "[ +**** - **********2]" 1
385 1 29 GLN QE 1 33 PRO QB . . 1.850 3.440 2.145 6.005 4.155 2 18 "[*+*** ** ******-****]" 1
386 1 29 GLN QE 1 33 PRO QD . . 2.080 3.728 2.388 6.220 4.140 2 17 "[*+*** *** ****-****]" 1
387 1 29 GLN QE 1 33 PRO QG . . 2.460 4.594 2.739 7.200 4.740 2 19 "[*+*** *********-****]" 1
388 1 29 GLN QE 1 34 SER H . . 2.550 4.539 3.809 5.887 3.337 2 20 [*+*****************-] 1
389 1 30 PHE H 1 30 PHE QD . . 1.920 3.035 2.310 3.859 1.939 14 19 "[***** *-*****+******]" 1
390 1 30 PHE H 1 31 GLU H . . 1.780 2.324 2.132 2.447 0.667 4 17 "[***+****** ** *-***2]" 1
391 1 30 PHE HA 1 31 GLU H . . 2.520 3.487 3.469 3.516 0.996 7 20 [*****-+*************] 1
392 1 30 PHE QB 1 31 GLU H . . 1.930 2.836 2.790 2.911 0.981 11 20 [**********+*-*******] 1
393 1 30 PHE QB 1 31 GLU HA . . 1.040 3.907 3.823 3.945 2.905 9 20 [******-*+***********] 1
394 1 30 PHE QD 1 31 GLU H . . 2.920 4.282 3.799 4.677 1.757 14 20 [*****-*******+******] 1
395 1 31 GLU H 1 32 ARG H . . 2.670 4.588 4.536 4.642 1.972 16 20 [**************-+****] 1
396 1 31 GLU HA 1 32 ARG H . . 1.550 2.231 2.150 2.405 0.855 7 20 [******+*******-*****] 1
397 1 31 GLU HA 1 32 ARG HA . . 2.430 4.329 4.306 4.353 1.923 15 20 [**************+****-] 1
398 1 31 GLU HA 1 32 ARG QB . . 2.010 4.113 4.072 4.165 2.155 20 20 [*****-*************+] 1
399 1 31 GLU QB 1 32 ARG H . . 2.060 3.310 2.451 3.719 1.659 13 19 "[****** *-***+*******]" 1
400 1 31 GLU QG 1 32 ARG H . . 2.330 2.937 2.635 4.196 1.866 7 4 "[ . + -1 *. *]" 1
401 1 32 ARG H 1 32 ARG QG . . 2.770 3.979 3.966 4.005 1.235 16 20 [*********-*****+****] 1
402 1 32 ARG H 1 33 PRO QD . . 2.730 4.248 4.108 4.307 1.577 10 20 [*********+***-******] 1
403 1 32 ARG HA 1 33 PRO HA . . 3.150 4.434 4.413 4.482 1.332 14 20 [*********-***+******] 1
404 1 32 ARG HA 1 33 PRO QD . . 1.600 1.926 1.858 1.964 0.364 19 0 "[ . 1 . 2]" 1
405 1 32 ARG QB 1 33 PRO QD . . 1.540 3.343 3.209 3.575 2.035 16 20 [***************+**-*] 1
406 1 32 ARG QG 1 33 PRO QD . . 1.530 2.133 1.905 2.678 1.148 16 7 "[ .**- 1* **.+ 2]" 1
407 1 32 ARG QG 1 34 SER H . . 1.650 5.005 4.466 5.448 3.798 6 20 [*****+*********-****] 1
408 1 33 PRO HA 1 34 SER H . . 1.600 2.233 2.156 2.483 0.883 9 20 [**-*****+***********] 1
409 1 33 PRO HA 1 34 SER HA . . 3.280 4.366 4.326 4.470 1.190 11 20 [**********+**-******] 1
410 1 33 PRO HA 1 35 GLY H . . 2.640 4.574 3.649 6.371 3.731 7 20 [******+********-****] 1
411 1 33 PRO QB 1 34 SER H . . 1.940 3.078 2.359 3.659 1.719 11 19 "[******** *+*-*******]" 1
412 1 33 PRO QB 1 35 GLY H . . 2.540 3.738 3.347 6.102 3.562 7 20 [******+******-******] 1
413 1 33 PRO QD 1 34 SER H . . 3.000 4.962 4.799 5.007 2.007 19 20 [**********-*******+*] 1
414 1 33 PRO QG 1 34 SER H . . 2.730 4.508 4.022 4.753 2.023 11 20 [********-*+*********] 1
415 1 34 SER H 1 35 GLY H . . 2.380 2.817 2.647 4.516 2.136 7 1 "[ . + 1 . 2]" 1
416 1 34 SER HA 1 35 GLY H . . 1.960 3.525 2.702 3.575 1.615 13 20 [******-*****+*******] 1
417 1 34 SER QB 1 35 GLY H . . 2.440 3.015 2.746 3.126 0.686 16 17 "[***** *-*** **+****]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 11:41:17 PM GMT (wattos1)