NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407489 |
1y9o   |
6398 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y9o
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 971
_Distance_constraint_stats_list.Viol_count 3053
_Distance_constraint_stats_list.Viol_total 10204.706
_Distance_constraint_stats_list.Viol_max 1.916
_Distance_constraint_stats_list.Viol_rms 0.1145
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0263
_Distance_constraint_stats_list.Viol_average_violations_only 0.1671
_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 LYS 2.213 0.253 3 0 "[ . 1 . 2]"
1 5 LYS 2.213 0.253 3 0 "[ . 1 . 2]"
1 6 TRP 4.223 0.470 3 0 "[ . 1 . 2]"
1 7 SER 2.102 0.399 14 0 "[ . 1 . 2]"
1 8 ASP 3.338 0.180 5 0 "[ . 1 . 2]"
1 9 THR 3.316 0.539 18 1 "[ . 1 . + 2]"
1 10 GLU 0.495 0.190 15 0 "[ . 1 . 2]"
1 11 VAL 0.607 0.294 20 0 "[ . 1 . 2]"
1 12 PHE 3.862 0.372 19 0 "[ . 1 . 2]"
1 13 GLU 2.581 0.252 3 0 "[ . 1 . 2]"
1 14 MET 4.533 0.380 19 0 "[ . 1 . 2]"
1 15 LEU 9.584 0.680 4 2 "[ +.- 1 . 2]"
1 16 LYS 2.064 0.205 8 0 "[ . 1 . 2]"
1 17 ARG 0.136 0.042 14 0 "[ . 1 . 2]"
1 18 MET 24.458 0.473 6 0 "[ . 1 . 2]"
1 19 TYR 10.890 0.591 9 2 "[ . - +1 . 2]"
1 20 ALA 5.986 0.387 3 0 "[ . 1 . 2]"
1 21 ARG 7.416 0.538 7 1 "[ . + 1 . 2]"
1 22 VAL 2.204 0.321 13 0 "[ . 1 . 2]"
1 23 TYR 16.305 0.771 12 5 "[* . -1 +**. 2]"
1 24 GLY 3.474 0.306 16 0 "[ . 1 . 2]"
1 25 LEU 6.599 0.171 10 0 "[ . 1 . 2]"
1 26 VAL 2.216 0.315 17 0 "[ . 1 . 2]"
1 27 GLN 7.149 0.505 2 1 "[ + . 1 . 2]"
1 28 GLY 1.654 0.169 17 0 "[ . 1 . 2]"
1 29 VAL 0.451 0.144 17 0 "[ . 1 . 2]"
1 30 GLY 0.634 0.124 14 0 "[ . 1 . 2]"
1 31 PHE 4.561 0.780 2 2 "[ + . 1 . -2]"
1 33 LYS 8.199 0.235 16 0 "[ . 1 . 2]"
1 34 PHE 71.582 1.916 6 19 "[*****+**** ****-****]"
1 35 VAL 3.674 0.159 14 0 "[ . 1 . 2]"
1 36 GLN 5.899 0.470 10 0 "[ . 1 . 2]"
1 37 ILE 29.501 1.124 7 18 "[******+*********- *]"
1 38 HIS 72.414 1.916 6 20 [*****+*******-******]
1 39 ALA 5.595 0.294 11 0 "[ . 1 . 2]"
1 40 ILE 4.339 0.346 16 0 "[ . 1 . 2]"
1 41 ARG 11.713 0.346 16 0 "[ . 1 . 2]"
1 42 LEU 6.765 0.491 16 0 "[ . 1 . 2]"
1 43 GLY 1.128 0.255 2 0 "[ . 1 . 2]"
1 44 ILE 8.726 0.491 16 0 "[ . 1 . 2]"
1 45 LYS 5.484 0.239 7 0 "[ . 1 . 2]"
1 46 GLY 10.604 0.628 20 1 "[ . 1 . +]"
1 47 TYR 48.064 1.788 1 20 [+***-***************]
1 48 ALA 27.101 0.909 18 20 [*****************+**]
1 49 LYS 18.302 0.831 19 6 "[ **. *-1 . * +2]"
1 50 ASN 6.936 0.494 18 0 "[ . 1 . 2]"
1 51 LEU 5.803 0.505 2 1 "[ + . 1 . 2]"
1 52 PRO 0.206 0.206 19 0 "[ . 1 . 2]"
1 53 ASP 1.690 0.400 2 0 "[ . 1 . 2]"
1 54 GLY 3.350 0.566 10 1 "[ . + . 2]"
1 55 SER 3.421 0.566 10 1 "[ . + . 2]"
1 56 VAL 1.269 0.198 4 0 "[ . 1 . 2]"
1 57 GLU 2.598 0.321 13 0 "[ . 1 . 2]"
1 58 VAL 3.093 0.158 5 0 "[ . 1 . 2]"
1 59 VAL 3.109 0.591 9 1 "[ . +1 . 2]"
1 60 ALA 10.802 0.434 13 0 "[ . 1 . 2]"
1 61 GLU 12.318 0.910 2 3 "[ + -. 1 . *2]"
1 62 GLY 0.398 0.239 20 0 "[ . 1 . 2]"
1 63 TYR 11.795 0.485 20 0 "[ . 1 . 2]"
1 64 GLU 2.012 0.225 10 0 "[ . 1 . 2]"
1 65 GLU 13.687 0.602 20 6 "[ - . * 1** *. +]"
1 66 ALA 13.365 0.602 20 6 "[ - . * 1** *. +]"
1 67 LEU 4.171 0.293 7 0 "[ . 1 . 2]"
1 68 SER 4.189 0.220 17 0 "[ . 1 . 2]"
1 69 LYS 1.656 0.304 3 0 "[ . 1 . 2]"
1 70 LEU 5.032 0.336 14 0 "[ . 1 . 2]"
1 71 LEU 27.445 0.987 17 9 "[ .* * 1* * .*+*-*]"
1 72 GLU 12.868 0.987 17 3 "[ . 1* . + -2]"
1 73 ARG 13.694 0.849 1 9 "[+* .* * 1 * .-** *]"
1 74 ILE 9.074 0.586 5 2 "[ - + 1 . 2]"
1 75 LYS 12.205 0.941 19 5 "[ * * - 1 . * +2]"
1 76 GLN 1.252 0.173 7 0 "[ . 1 . 2]"
1 77 GLY 0.791 0.178 13 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 17.122 1.173 14 19 "[*********-** +******]"
1 80 ALA 1.207 0.089 18 0 "[ . 1 . 2]"
1 81 ALA 1.678 0.112 16 0 "[ . 1 . 2]"
1 82 GLU 2.153 0.120 19 0 "[ . 1 . 2]"
1 83 VAL 23.802 1.173 14 19 "[*********-** +******]"
1 84 GLU 1.403 0.158 16 0 "[ . 1 . 2]"
1 85 LYS 11.332 0.280 20 0 "[ . 1 . 2]"
1 86 VAL 0.707 0.207 13 0 "[ . 1 . 2]"
1 87 ASP 9.517 0.771 12 5 "[* . -1 +**. 2]"
1 88 TYR 5.616 0.376 7 0 "[ . 1 . 2]"
1 89 SER 3.515 0.241 5 0 "[ . 1 . 2]"
1 90 PHE 7.219 0.681 15 1 "[ . 1 + 2]"
1 91 SER 6.808 0.681 15 1 "[ . 1 + 2]"
1 92 GLU 3.299 0.295 16 0 "[ . 1 . 2]"
1 93 TYR 3.080 0.543 8 1 "[ . + 1 . 2]"
1 94 LYS 3.403 0.858 4 2 "[ +. - 1 . 2]"
1 95 GLY 2.023 0.392 6 0 "[ . 1 . 2]"
1 96 GLU 7.287 0.407 4 0 "[ . 1 . 2]"
1 97 PHE 11.438 0.910 2 3 "[ + -. 1 . *2]"
1 98 GLU 5.544 0.325 11 0 "[ . 1 . 2]"
1 99 ASP 2.463 0.212 20 0 "[ . 1 . 2]"
1 100 PHE 16.991 0.929 1 12 "[+ ******1* - ** *]"
1 101 GLU 41.326 1.788 1 20 [+***********-*******]
1 102 THR 24.377 0.834 8 20 [*******+*******-****]
1 103 TYR 7.797 0.909 18 2 "[ - . 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 80 ALA MB 1 81 ALA HA . 2.030 6.900 4.436 4.196 4.536 . 0 0 "[ . 1 . 2]" 1
2 1 80 ALA H 1 81 ALA MB . 2.420 5.100 4.101 3.928 4.280 . 0 0 "[ . 1 . 2]" 1
3 1 80 ALA MB 1 81 ALA H . . 7.290 3.706 2.988 3.784 . 0 0 "[ . 1 . 2]" 1
4 1 81 ALA MB 1 82 GLU H . . 7.290 2.420 2.152 3.665 . 0 0 "[ . 1 . 2]" 1
5 1 81 ALA H 1 81 ALA MB . . 3.590 2.569 2.382 2.733 . 0 0 "[ . 1 . 2]" 1
6 1 8 ASP H 1 8 ASP HA . . 2.720 2.757 2.206 2.900 0.180 5 0 "[ . 1 . 2]" 1
7 1 13 GLU HB2 1 13 GLU QG . . 2.340 2.171 2.146 2.354 0.014 1 0 "[ . 1 . 2]" 1
8 1 13 GLU HB3 1 13 GLU QG . . 2.730 2.416 2.338 2.526 . 0 0 "[ . 1 . 2]" 1
9 1 15 LEU HA 1 15 LEU HB2 . . 2.450 2.357 2.210 2.511 0.061 6 0 "[ . 1 . 2]" 1
10 1 16 LYS H 1 18 MET H . 2.130 6.460 5.917 5.418 6.299 . 0 0 "[ . 1 . 2]" 1
11 1 17 ARG QG 1 18 MET H . . 4.550 3.875 3.175 4.183 . 0 0 "[ . 1 . 2]" 1
12 1 18 MET H 1 61 GLU HA . 2.100 3.290 2.832 2.326 3.312 0.022 11 0 "[ . 1 . 2]" 1
13 1 19 TYR HA 1 20 ALA H . . 2.210 2.199 2.141 2.251 0.041 9 0 "[ . 1 . 2]" 1
14 1 19 TYR HA 1 20 ALA MB . 2.400 4.880 4.072 3.989 4.149 . 0 0 "[ . 1 . 2]" 1
15 1 19 TYR H 1 19 TYR HA . . 2.910 2.940 2.884 2.980 0.070 4 0 "[ . 1 . 2]" 1
16 1 20 ALA H 1 58 VAL HB . 2.090 3.280 3.274 3.028 3.390 0.110 4 0 "[ . 1 . 2]" 1
17 1 21 ARG H 1 21 ARG HA . . 2.910 2.933 2.909 2.951 0.041 4 0 "[ . 1 . 2]" 1
18 1 21 ARG H 1 88 TYR QB . . 4.770 3.702 3.324 4.416 . 0 0 "[ . 1 . 2]" 1
19 1 23 TYR HA 1 23 TYR HB3 . . 2.700 2.482 2.428 2.532 . 0 0 "[ . 1 . 2]" 1
20 1 23 TYR H 1 23 TYR HA . . 2.960 2.962 2.837 2.983 0.023 14 0 "[ . 1 . 2]" 1
21 1 24 GLY HA2 1 25 LEU H . . 2.960 2.817 2.623 2.895 . 0 0 "[ . 1 . 2]" 1
22 1 25 LEU HA 1 26 VAL H . . 2.950 2.981 2.619 3.121 0.171 10 0 "[ . 1 . 2]" 1
23 1 25 LEU H 1 25 LEU HA . . 2.890 2.929 2.899 2.967 0.077 16 0 "[ . 1 . 2]" 1
24 1 26 VAL H 1 26 VAL HB . 2.360 3.690 3.595 3.511 3.756 0.066 16 0 "[ . 1 . 2]" 1
25 1 26 VAL H 1 84 GLU QB . 2.050 5.770 5.372 5.271 5.471 . 0 0 "[ . 1 . 2]" 1
26 1 31 PHE H 1 31 PHE HB3 . . 3.680 2.996 2.090 3.693 0.013 14 0 "[ . 1 . 2]" 1
27 1 33 LYS HA 1 34 PHE H . 2.800 4.390 3.607 3.552 3.649 . 0 0 "[ . 1 . 2]" 1
28 1 33 LYS H 1 33 LYS HA . . 2.760 2.821 2.664 2.892 0.132 6 0 "[ . 1 . 2]" 1
29 1 34 PHE HA 1 35 VAL H . 2.750 4.290 3.590 3.543 3.629 . 0 0 "[ . 1 . 2]" 1
30 1 34 PHE H 1 34 PHE HB3 . . 2.700 2.619 2.427 2.705 0.005 6 0 "[ . 1 . 2]" 1
31 1 35 VAL H 1 35 VAL HA . . 2.920 2.889 2.875 2.905 . 0 0 "[ . 1 . 2]" 1
32 1 36 GLN HA 1 36 GLN QE . . 3.710 2.452 1.880 3.475 . 0 0 "[ . 1 . 2]" 1
33 1 35 VAL HA 1 36 GLN H . 2.060 3.390 3.493 3.444 3.527 0.137 6 0 "[ . 1 . 2]" 1
34 1 35 VAL HB 1 36 GLN H . . 6.250 3.371 2.736 4.433 . 0 0 "[ . 1 . 2]" 1
35 1 36 GLN QE 1 39 ALA MB . . 6.250 3.606 2.662 4.518 . 0 0 "[ . 1 . 2]" 1
36 1 37 ILE HA 1 37 ILE HB . . 3.140 3.047 2.992 3.060 . 0 0 "[ . 1 . 2]" 1
37 1 37 ILE HA 1 38 HIS H . 2.690 4.210 3.600 3.580 3.637 . 0 0 "[ . 1 . 2]" 1
38 1 37 ILE HA 1 40 ILE MG . 2.150 4.330 3.629 3.549 3.671 . 0 0 "[ . 1 . 2]" 1
39 1 37 ILE HA 1 41 ARG H . 2.310 3.820 4.003 3.901 4.091 0.271 15 0 "[ . 1 . 2]" 1
40 1 36 GLN HA 1 37 ILE H . . 3.630 3.614 3.590 3.645 0.015 5 0 "[ . 1 . 2]" 1
41 1 36 GLN H 1 37 ILE H . . 2.790 2.751 2.655 2.809 0.019 1 0 "[ . 1 . 2]" 1
42 1 37 ILE H 1 37 ILE HA . . 2.830 2.729 2.652 2.919 0.089 17 0 "[ . 1 . 2]" 1
43 1 37 ILE QG 1 38 HIS HD2 . . 6.300 4.216 3.950 5.302 . 0 0 "[ . 1 . 2]" 1
44 1 38 HIS HA 1 39 ALA H . 2.440 3.820 3.608 3.494 3.631 . 0 0 "[ . 1 . 2]" 1
45 1 38 HIS HB3 1 38 HIS HD2 . . 4.040 4.009 3.969 4.023 . 0 0 "[ . 1 . 2]" 1
46 1 39 ALA HA 1 40 ILE H . . 3.630 3.560 3.518 3.612 . 0 0 "[ . 1 . 2]" 1
47 1 39 ALA HA 1 44 ILE HB . . 2.650 2.505 2.190 2.840 0.190 11 0 "[ . 1 . 2]" 1
48 1 39 ALA HA 1 44 ILE MG . 2.070 3.640 3.368 2.970 3.852 0.212 2 0 "[ . 1 . 2]" 1
49 1 40 ILE HA 1 41 ARG H . 2.310 3.620 3.599 3.532 3.640 0.020 9 0 "[ . 1 . 2]" 1
50 1 40 ILE H 1 40 ILE MG . 2.140 4.360 3.571 3.475 3.692 . 0 0 "[ . 1 . 2]" 1
51 1 41 ARG HA 1 42 LEU H . 2.370 3.620 3.545 3.506 3.577 . 0 0 "[ . 1 . 2]" 1
52 1 42 LEU HA 1 43 GLY H . 2.190 3.430 3.241 2.897 3.553 0.123 2 0 "[ . 1 . 2]" 1
53 1 43 GLY HA3 1 44 ILE H . 2.160 3.590 3.596 3.586 3.605 0.015 11 0 "[ . 1 . 2]" 1
54 1 44 ILE HA 1 44 ILE HB . . 3.000 3.016 2.998 3.029 0.029 4 0 "[ . 1 . 2]" 1
55 1 44 ILE HA 1 45 LYS H . . 2.880 2.169 2.117 2.246 . 0 0 "[ . 1 . 2]" 1
56 1 44 ILE HB 1 45 LYS H . 2.560 4.090 4.043 3.973 4.137 0.047 12 0 "[ . 1 . 2]" 1
57 1 44 ILE HB 1 61 GLU H . 3.130 4.900 4.920 4.809 5.005 0.105 18 0 "[ . 1 . 2]" 1
58 1 44 ILE H 1 44 ILE HA . . 2.920 2.982 2.969 2.988 0.068 5 0 "[ . 1 . 2]" 1
59 1 44 ILE MG 1 61 GLU HA . 2.580 5.040 3.989 3.785 4.102 . 0 0 "[ . 1 . 2]" 1
60 1 45 LYS H 1 45 LYS HB3 . . 3.710 3.735 3.671 3.767 0.057 7 0 "[ . 1 . 2]" 1
61 1 46 GLY HA3 1 47 TYR H . . 2.650 2.228 2.167 2.348 . 0 0 "[ . 1 . 2]" 1
62 1 46 GLY H 1 100 PHE HA . . 2.670 2.740 2.468 2.887 0.217 12 0 "[ . 1 . 2]" 1
63 1 50 ASN H 1 103 TYR H . 2.130 3.350 3.215 2.697 3.582 0.232 16 0 "[ . 1 . 2]" 1
64 1 51 LEU HA 1 51 LEU HB2 . . 2.980 3.019 2.942 3.044 0.064 13 0 "[ . 1 . 2]" 1
65 1 51 LEU H 1 51 LEU HB3 . . 3.470 3.563 3.498 3.627 0.157 7 0 "[ . 1 . 2]" 1
66 1 51 LEU H 1 52 PRO QD . 2.540 4.600 4.090 2.334 4.287 0.206 19 0 "[ . 1 . 2]" 1
67 1 53 ASP HA 1 54 GLY H . . 6.000 2.799 2.511 3.591 . 0 0 "[ . 1 . 2]" 1
68 1 54 GLY H 1 54 GLY HA2 . . 2.940 2.687 2.261 2.972 0.032 2 0 "[ . 1 . 2]" 1
69 1 54 GLY H 1 54 GLY HA3 . . 2.950 2.810 2.344 2.956 0.006 13 0 "[ . 1 . 2]" 1
70 1 58 VAL HA 1 58 VAL HB . . 3.010 3.032 3.024 3.043 0.033 14 0 "[ . 1 . 2]" 1
71 1 61 GLU H 1 61 GLU HA . . 2.850 2.947 2.929 2.963 0.113 4 0 "[ . 1 . 2]" 1
72 1 62 GLY HA2 1 63 TYR H . . 2.640 2.369 2.167 2.879 0.239 20 0 "[ . 1 . 2]" 1
73 1 62 GLY HA3 1 63 TYR H . . 3.220 2.675 2.104 2.952 . 0 0 "[ . 1 . 2]" 1
74 1 63 TYR HA 1 63 TYR HB2 . . 2.980 3.026 3.000 3.041 0.061 3 0 "[ . 1 . 2]" 1
75 1 63 TYR HA 1 63 TYR HB3 . . 2.830 2.594 2.532 2.707 . 0 0 "[ . 1 . 2]" 1
76 1 63 TYR H 1 63 TYR HB3 . . 3.340 3.488 3.413 3.825 0.485 20 0 "[ . 1 . 2]" 1
77 1 64 GLU HA 1 65 GLU H . 3.040 4.750 3.541 3.419 3.639 . 0 0 "[ . 1 . 2]" 1
78 1 64 GLU HA 1 67 LEU H . . 3.500 2.916 2.589 3.638 0.138 20 0 "[ . 1 . 2]" 1
79 1 64 GLU HA 1 67 LEU QB . . 5.000 2.104 1.953 2.423 . 0 0 "[ . 1 . 2]" 1
80 1 65 GLU HA 1 66 ALA H . 3.110 4.860 3.570 3.438 3.626 . 0 0 "[ . 1 . 2]" 1
81 1 65 GLU HA 1 68 SER H . . 6.050 4.520 3.892 5.266 . 0 0 "[ . 1 . 2]" 1
82 1 65 GLU H 1 65 GLU HB2 . . 3.490 2.815 2.361 3.572 0.082 15 0 "[ . 1 . 2]" 1
83 1 65 GLU H 1 65 GLU HB3 . . 3.430 3.182 2.351 3.557 0.127 7 0 "[ . 1 . 2]" 1
84 1 66 ALA HA 1 67 LEU QB . . 5.990 5.162 5.048 5.244 . 0 0 "[ . 1 . 2]" 1
85 1 66 ALA HA 1 69 LYS QB . . 3.120 2.480 2.337 2.608 . 0 0 "[ . 1 . 2]" 1
86 1 67 LEU HA 1 68 SER H . 2.190 3.620 3.583 3.568 3.621 0.001 12 0 "[ . 1 . 2]" 1
87 1 67 LEU HA 1 70 LEU H . 2.980 3.920 3.728 3.390 4.098 0.178 20 0 "[ . 1 . 2]" 1
88 1 67 LEU HA 1 70 LEU QB . . 6.050 3.216 2.749 3.816 . 0 0 "[ . 1 . 2]" 1
89 1 67 LEU HG 1 68 SER H . 2.050 3.240 3.227 2.702 3.437 0.197 19 0 "[ . 1 . 2]" 1
90 1 68 SER HA 1 69 LYS H . 2.280 3.560 3.593 3.546 3.633 0.073 5 0 "[ . 1 . 2]" 1
91 1 68 SER HA 1 71 LEU HB2 . . 2.980 2.610 2.295 3.200 0.220 17 0 "[ . 1 . 2]" 1
92 1 68 SER HA 1 71 LEU HB3 . . 3.400 3.114 2.278 3.540 0.140 8 0 "[ . 1 . 2]" 1
93 1 69 LYS HA 1 70 LEU H . 2.370 3.710 3.600 3.550 3.638 . 0 0 "[ . 1 . 2]" 1
94 1 69 LYS HA 1 72 GLU H . 3.060 4.780 4.114 3.660 4.538 . 0 0 "[ . 1 . 2]" 1
95 1 69 LYS HA 1 72 GLU QB . . 6.050 3.907 2.929 4.533 . 0 0 "[ . 1 . 2]" 1
96 1 70 LEU HA 1 70 LEU HG . . 3.720 3.544 3.358 3.705 . 0 0 "[ . 1 . 2]" 1
97 1 70 LEU HA 1 71 LEU H . 2.140 3.580 3.560 3.482 3.621 0.041 20 0 "[ . 1 . 2]" 1
98 1 70 LEU HA 1 73 ARG H . . 4.940 3.827 3.476 4.118 . 0 0 "[ . 1 . 2]" 1
99 1 70 LEU HA 1 73 ARG QB . . 6.050 2.523 2.268 2.790 . 0 0 "[ . 1 . 2]" 1
100 1 70 LEU H 1 70 LEU HG . . 4.330 4.359 4.124 4.493 0.163 14 0 "[ . 1 . 2]" 1
101 1 71 LEU HA 1 72 GLU H . 2.700 4.210 3.592 3.565 3.636 . 0 0 "[ . 1 . 2]" 1
102 1 71 LEU HA 1 74 ILE HB . . 6.050 3.797 3.129 4.547 . 0 0 "[ . 1 . 2]" 1
103 1 71 LEU HA 1 75 LYS H . 2.510 4.650 4.772 4.253 5.591 0.941 19 3 "[ . - 1 . * +2]" 1
104 1 72 GLU HA 1 73 ARG H . 2.830 4.430 3.556 3.528 3.598 . 0 0 "[ . 1 . 2]" 1
105 1 72 GLU HA 1 75 LYS QB . . 6.050 3.274 2.334 4.708 . 0 0 "[ . 1 . 2]" 1
106 1 73 ARG HA 1 73 ARG HD3 . . 3.870 3.981 3.500 4.247 0.377 10 0 "[ . 1 . 2]" 1
107 1 73 ARG HA 1 74 ILE H . 2.310 3.650 3.584 3.520 3.620 . 0 0 "[ . 1 . 2]" 1
108 1 73 ARG HA 1 76 GLN QB . . 6.050 3.570 3.019 4.494 . 0 0 "[ . 1 . 2]" 1
109 1 73 ARG QG 1 74 ILE MD . . 4.940 3.579 3.515 3.637 . 0 0 "[ . 1 . 2]" 1
110 1 73 ARG QH1 1 74 ILE MG . . 4.840 3.420 3.285 3.519 . 0 0 "[ . 1 . 2]" 1
111 1 74 ILE HA 1 74 ILE HB . . 3.010 3.018 2.989 3.032 0.022 6 0 "[ . 1 . 2]" 1
112 1 74 ILE HA 1 75 LYS H . 2.590 4.360 3.594 3.559 3.620 . 0 0 "[ . 1 . 2]" 1
113 1 74 ILE HB 1 75 LYS H . . 3.110 2.344 2.040 2.585 . 0 0 "[ . 1 . 2]" 1
114 1 74 ILE H 1 74 ILE HB . . 3.020 2.581 2.355 2.755 . 0 0 "[ . 1 . 2]" 1
115 1 75 LYS HA 1 76 GLN H . 3.010 4.700 3.593 3.569 3.615 . 0 0 "[ . 1 . 2]" 1
116 1 76 GLN HA 1 77 GLY H . 2.330 3.640 3.364 2.693 3.609 . 0 0 "[ . 1 . 2]" 1
117 1 80 ALA H 1 80 ALA HA . . 2.850 2.814 2.222 2.939 0.089 18 0 "[ . 1 . 2]" 1
118 1 81 ALA H 1 81 ALA HA . . 2.930 2.949 2.901 2.984 0.054 13 0 "[ . 1 . 2]" 1
119 1 82 GLU HA 1 83 VAL H . . 2.270 2.328 2.286 2.390 0.120 19 0 "[ . 1 . 2]" 1
120 1 85 LYS H 1 85 LYS HA . . 2.800 2.866 2.761 2.946 0.146 5 0 "[ . 1 . 2]" 1
121 1 86 VAL HA 1 87 ASP H . . 2.350 2.222 2.162 2.364 0.014 12 0 "[ . 1 . 2]" 1
122 1 86 VAL H 1 86 VAL HB . 2.040 3.340 2.939 2.674 3.105 . 0 0 "[ . 1 . 2]" 1
123 1 87 ASP HA 1 87 ASP HB2 . . 2.610 2.436 2.402 2.495 . 0 0 "[ . 1 . 2]" 1
124 1 87 ASP HA 1 88 TYR H . . 2.410 2.417 2.321 2.462 0.052 3 0 "[ . 1 . 2]" 1
125 1 87 ASP H 1 88 TYR HA . 2.820 4.550 4.691 4.619 4.748 0.198 8 0 "[ . 1 . 2]" 1
126 1 89 SER H 1 89 SER HA . . 2.870 2.949 2.929 2.982 0.112 6 0 "[ . 1 . 2]" 1
127 1 90 PHE HA 1 90 PHE HB2 . . 2.650 2.310 2.209 2.447 . 0 0 "[ . 1 . 2]" 1
128 1 90 PHE HA 1 91 SER H . . 2.400 2.236 2.168 2.389 . 0 0 "[ . 1 . 2]" 1
129 1 92 GLU HA 1 93 TYR H . . 2.300 2.270 2.101 2.362 0.062 12 0 "[ . 1 . 2]" 1
130 1 93 TYR H 1 93 TYR HB2 . . 4.210 3.340 2.410 3.536 . 0 0 "[ . 1 . 2]" 1
131 1 96 GLU HA 1 96 GLU HB2 . . 2.370 2.429 2.382 2.475 0.105 17 0 "[ . 1 . 2]" 1
132 1 96 GLU HA 1 96 GLU HB3 . . 2.550 2.331 2.282 2.430 . 0 0 "[ . 1 . 2]" 1
133 1 96 GLU HA 1 96 GLU QB . . 2.330 2.115 2.104 2.144 . 0 0 "[ . 1 . 2]" 1
134 1 98 GLU HA 1 99 ASP H . . 2.270 2.261 2.109 2.482 0.212 20 0 "[ . 1 . 2]" 1
135 1 98 GLU H 1 98 GLU HA . . 2.600 2.693 2.225 2.925 0.325 11 0 "[ . 1 . 2]" 1
136 1 101 GLU HA 1 102 THR H . . 2.500 2.362 2.227 2.542 0.042 7 0 "[ . 1 . 2]" 1
137 1 101 GLU H 1 101 GLU HA . . 2.980 2.990 2.971 3.004 0.024 20 0 "[ . 1 . 2]" 1
138 1 4 LYS HA 1 5 LYS H . 2.410 3.620 2.522 2.157 3.595 0.253 3 0 "[ . 1 . 2]" 1
139 1 6 TRP HA 1 7 SER H . . 2.930 2.378 2.123 2.611 . 0 0 "[ . 1 . 2]" 1
140 1 6 TRP H 1 6 TRP HZ3 . . 7.200 6.437 4.365 7.559 0.359 3 0 "[ . 1 . 2]" 1
141 1 6 TRP H 1 6 TRP QB . 2.840 3.910 2.985 2.370 3.511 0.470 3 0 "[ . 1 . 2]" 1
142 1 6 TRP H 1 7 SER H . 2.770 4.150 3.663 2.371 4.397 0.399 14 0 "[ . 1 . 2]" 1
143 1 7 SER HA 1 8 ASP H . 2.350 3.540 2.443 2.220 3.548 0.130 13 0 "[ . 1 . 2]" 1
144 1 7 SER H 1 7 SER QB . . 3.870 2.638 2.223 3.103 . 0 0 "[ . 1 . 2]" 1
145 1 8 ASP H 1 8 ASP HB2 . 2.160 3.540 3.147 2.349 3.591 0.051 8 0 "[ . 1 . 2]" 1
146 1 8 ASP H 1 8 ASP HB3 . 2.160 3.540 2.955 2.356 3.680 0.140 17 0 "[ . 1 . 2]" 1
147 1 8 ASP H 1 8 ASP QB . . 3.270 2.641 2.180 2.949 . 0 0 "[ . 1 . 2]" 1
148 1 9 THR HA 1 9 THR MG . . 3.650 2.425 2.280 3.243 . 0 0 "[ . 1 . 2]" 1
149 1 9 THR H 1 10 GLU H . 3.340 5.020 3.872 3.150 4.580 0.190 15 0 "[ . 1 . 2]" 1
150 1 9 THR H 1 9 THR MG . 2.960 4.970 3.162 2.421 4.023 0.539 18 1 "[ . 1 . + 2]" 1
151 1 10 GLU HA 1 10 GLU QG . . 3.380 2.525 2.195 3.328 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLU HA 1 11 VAL H . . 2.820 2.398 2.169 2.843 0.023 13 0 "[ . 1 . 2]" 1
153 1 10 GLU H 1 11 VAL H . . 7.200 4.036 2.879 4.638 . 0 0 "[ . 1 . 2]" 1
154 1 11 VAL HA 1 12 PHE H . . 2.700 2.208 2.107 2.383 . 0 0 "[ . 1 . 2]" 1
155 1 11 VAL HB 1 12 PHE H . 3.220 4.830 4.173 2.926 4.532 0.294 20 0 "[ . 1 . 2]" 1
156 1 11 VAL H 1 12 PHE H . 3.010 4.510 4.188 3.016 4.607 0.097 12 0 "[ . 1 . 2]" 1
157 1 12 PHE H 1 12 PHE QB . 2.820 3.680 2.888 2.448 3.482 0.372 19 0 "[ . 1 . 2]" 1
158 1 12 PHE H 1 13 GLU H . 2.020 3.030 2.531 1.768 3.236 0.252 3 0 "[ . 1 . 2]" 1
159 1 13 GLU HA 1 13 GLU HB2 . . 2.960 2.419 2.309 2.536 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU HA 1 13 GLU HB3 . . 2.650 2.375 2.279 2.480 . 0 0 "[ . 1 . 2]" 1
161 1 13 GLU HA 1 13 GLU QG . . 3.830 3.514 3.363 3.574 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLU HA 1 14 MET H . . 2.640 2.311 2.092 2.702 0.062 11 0 "[ . 1 . 2]" 1
163 1 13 GLU H 1 13 GLU HB3 . 2.410 3.610 3.012 2.460 3.375 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLU H 1 14 MET H . 2.840 4.270 4.116 3.241 4.511 0.241 17 0 "[ . 1 . 2]" 1
165 1 14 MET H 1 14 MET QG . 2.210 5.460 3.040 2.070 4.070 0.140 20 0 "[ . 1 . 2]" 1
166 1 14 MET H 1 15 LEU H . 3.010 4.510 3.678 2.630 4.496 0.380 19 0 "[ . 1 . 2]" 1
167 1 15 LEU HA 1 63 TYR HA . . 2.590 2.443 2.128 2.780 0.190 14 0 "[ . 1 . 2]" 1
168 1 15 LEU HB2 1 16 LYS H . . 3.150 2.792 2.051 3.251 0.101 11 0 "[ . 1 . 2]" 1
169 1 15 LEU HB3 1 16 LYS H . 2.600 4.200 3.955 3.581 4.284 0.084 7 0 "[ . 1 . 2]" 1
170 1 15 LEU H 1 16 LYS H . 3.830 5.740 4.352 3.925 4.626 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS HA 1 16 LYS QD . . 4.210 3.711 3.571 3.808 . 0 0 "[ . 1 . 2]" 1
172 1 16 LYS HA 1 16 LYS QG . . 3.790 3.317 2.404 3.502 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS HA 1 17 ARG H . . 2.670 2.442 2.263 2.577 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS HA 1 93 TYR H . 2.100 3.140 2.692 2.152 3.186 0.046 16 0 "[ . 1 . 2]" 1
175 1 16 LYS H 1 16 LYS HA . . 3.030 2.987 2.961 3.002 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS H 1 16 LYS QE . 2.250 5.520 4.002 2.352 5.077 . 0 0 "[ . 1 . 2]" 1
177 1 16 LYS H 1 62 GLY H . 2.900 4.350 3.645 3.198 4.236 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS H 1 63 TYR HA . 2.220 3.340 3.334 3.000 3.545 0.205 8 0 "[ . 1 . 2]" 1
179 1 16 LYS H 1 63 TYR H . 3.700 5.550 4.698 3.632 5.042 0.068 20 0 "[ . 1 . 2]" 1
180 1 16 LYS QB 1 17 ARG H . . 4.010 2.596 2.136 3.688 . 0 0 "[ . 1 . 2]" 1
181 1 16 LYS QB 1 18 MET H . 2.680 6.600 5.521 5.094 5.806 . 0 0 "[ . 1 . 2]" 1
182 1 16 LYS QD 1 17 ARG H . . 7.180 3.168 2.571 4.300 . 0 0 "[ . 1 . 2]" 1
183 1 16 LYS QD 1 18 MET H . . 4.860 3.671 3.063 4.466 . 0 0 "[ . 1 . 2]" 1
184 1 16 LYS QG 1 17 ARG H . . 4.070 3.454 2.367 3.992 . 0 0 "[ . 1 . 2]" 1
185 1 17 ARG HA 1 18 MET H . . 2.610 2.172 2.088 2.267 . 0 0 "[ . 1 . 2]" 1
186 1 17 ARG HA 1 61 GLU HA . . 6.260 2.208 2.068 2.517 . 0 0 "[ . 1 . 2]" 1
187 1 17 ARG HA 1 62 GLY H . 2.520 3.770 3.633 3.402 3.812 0.042 14 0 "[ . 1 . 2]" 1
188 1 17 ARG H 1 17 ARG QD . 2.270 5.550 4.197 3.774 4.848 . 0 0 "[ . 1 . 2]" 1
189 1 17 ARG H 1 17 ARG QG . . 4.040 2.807 2.199 3.911 . 0 0 "[ . 1 . 2]" 1
190 1 17 ARG H 1 91 SER H . 2.840 5.010 4.389 3.700 5.044 0.034 1 0 "[ . 1 . 2]" 1
191 1 18 MET HA 1 18 MET ME . 2.670 5.070 4.243 4.075 4.433 . 0 0 "[ . 1 . 2]" 1
192 1 18 MET HA 1 18 MET QG . . 3.820 2.820 2.257 3.379 . 0 0 "[ . 1 . 2]" 1
193 1 18 MET HA 1 90 PHE HA . . 2.710 2.637 2.279 2.850 0.140 1 0 "[ . 1 . 2]" 1
194 1 18 MET HA 1 91 SER H . 2.220 3.330 3.156 2.625 3.540 0.210 15 0 "[ . 1 . 2]" 1
195 1 18 MET HB2 1 19 TYR H . . 3.610 3.807 2.561 3.958 0.348 5 0 "[ . 1 . 2]" 1
196 1 18 MET HB2 1 61 GLU HA . 2.820 5.290 5.441 5.117 5.763 0.473 6 0 "[ . 1 . 2]" 1
197 1 18 MET H 1 18 MET HB2 . 2.340 3.670 3.034 2.353 3.630 . 0 0 "[ . 1 . 2]" 1
198 1 18 MET H 1 18 MET QG . 2.290 5.740 3.148 1.933 4.093 0.357 1 0 "[ . 1 . 2]" 1
199 1 18 MET H 1 19 TYR H . 2.870 5.810 4.363 3.966 4.571 . 0 0 "[ . 1 . 2]" 1
200 1 18 MET H 1 60 ALA H . 2.040 4.560 3.891 2.576 4.626 0.066 6 0 "[ . 1 . 2]" 1
201 1 18 MET H 1 60 ALA MB . . 4.670 3.804 3.570 3.999 . 0 0 "[ . 1 . 2]" 1
202 1 18 MET ME 1 20 ALA MB . 2.430 3.880 2.328 2.043 2.657 0.387 3 0 "[ . 1 . 2]" 1
203 1 18 MET ME 1 60 ALA MB . 2.430 3.650 2.082 1.996 2.163 0.434 13 0 "[ . 1 . 2]" 1
204 1 19 TYR HA 1 19 TYR QB . . 2.790 2.307 2.224 2.403 . 0 0 "[ . 1 . 2]" 1
205 1 19 TYR HA 1 60 ALA H . . 6.000 3.763 3.027 4.392 . 0 0 "[ . 1 . 2]" 1
206 1 19 TYR H 1 19 TYR QB . . 3.660 2.499 2.110 2.881 . 0 0 "[ . 1 . 2]" 1
207 1 19 TYR H 1 20 ALA H . 2.640 5.460 4.013 3.249 4.583 . 0 0 "[ . 1 . 2]" 1
208 1 19 TYR H 1 89 SER H . 2.810 4.220 3.665 2.999 4.303 0.083 8 0 "[ . 1 . 2]" 1
209 1 19 TYR H 1 90 PHE HA . 2.550 3.820 3.249 2.264 3.777 0.286 14 0 "[ . 1 . 2]" 1
210 1 20 ALA HA 1 21 ARG H . . 2.270 2.069 2.033 2.122 . 0 0 "[ . 1 . 2]" 1
211 1 20 ALA HA 1 88 TYR HA . . 2.440 2.167 2.041 2.337 . 0 0 "[ . 1 . 2]" 1
212 1 20 ALA HA 1 89 SER H . 2.040 3.060 3.081 2.579 3.301 0.241 5 0 "[ . 1 . 2]" 1
213 1 20 ALA H 1 20 ALA MB . . 3.280 2.454 2.272 2.711 . 0 0 "[ . 1 . 2]" 1
214 1 20 ALA H 1 58 VAL H . 2.440 3.660 3.433 3.086 3.720 0.060 20 0 "[ . 1 . 2]" 1
215 1 20 ALA H 1 59 VAL HA . . 6.000 3.506 3.130 3.851 . 0 0 "[ . 1 . 2]" 1
216 1 20 ALA MB 1 21 ARG H . . 3.690 3.330 3.070 3.464 . 0 0 "[ . 1 . 2]" 1
217 1 20 ALA MB 1 58 VAL H . 3.170 4.760 3.643 3.425 3.825 . 0 0 "[ . 1 . 2]" 1
218 1 20 ALA MB 1 88 TYR HB2 . 2.240 3.730 2.520 2.238 2.852 0.002 15 0 "[ . 1 . 2]" 1
219 1 20 ALA MB 1 88 TYR HB3 . 2.240 3.730 2.862 2.607 2.975 . 0 0 "[ . 1 . 2]" 1
220 1 20 ALA MB 1 88 TYR QB . 2.220 3.430 2.347 2.164 2.486 0.056 4 0 "[ . 1 . 2]" 1
221 1 21 ARG HA 1 21 ARG HD2 . . 2.940 2.589 2.063 3.212 0.272 4 0 "[ . 1 . 2]" 1
222 1 21 ARG HA 1 21 ARG HD3 . . 2.940 2.572 2.227 3.202 0.262 8 0 "[ . 1 . 2]" 1
223 1 21 ARG HA 1 21 ARG QB . . 2.800 2.460 2.315 2.580 . 0 0 "[ . 1 . 2]" 1
224 1 21 ARG HA 1 21 ARG QG . . 3.740 2.680 2.400 3.163 . 0 0 "[ . 1 . 2]" 1
225 1 21 ARG HA 1 57 GLU HA . . 2.800 2.364 2.147 2.694 . 0 0 "[ . 1 . 2]" 1
226 1 21 ARG HA 1 58 VAL H . . 3.230 3.268 3.053 3.388 0.158 5 0 "[ . 1 . 2]" 1
227 1 21 ARG H 1 21 ARG HD2 . 2.800 4.800 4.745 4.512 4.919 0.119 6 0 "[ . 1 . 2]" 1
228 1 21 ARG H 1 21 ARG HD3 . 2.800 4.880 4.843 4.649 4.962 0.082 14 0 "[ . 1 . 2]" 1
229 1 21 ARG H 1 21 ARG QD . 2.860 4.630 4.264 4.174 4.304 . 0 0 "[ . 1 . 2]" 1
230 1 21 ARG H 1 87 ASP H . . 7.200 4.470 3.711 5.317 . 0 0 "[ . 1 . 2]" 1
231 1 21 ARG H 1 88 TYR HA . 2.310 3.460 2.507 2.141 3.094 0.169 20 0 "[ . 1 . 2]" 1
232 1 21 ARG QB 1 21 ARG HE . . 4.410 3.857 2.505 4.131 . 0 0 "[ . 1 . 2]" 1
233 1 21 ARG QB 1 21 ARG QD . . 3.300 2.369 2.156 2.562 . 0 0 "[ . 1 . 2]" 1
234 1 22 VAL HA 1 23 TYR H . . 2.200 2.165 2.077 2.279 0.079 6 0 "[ . 1 . 2]" 1
235 1 22 VAL HA 1 86 VAL HA . . 2.940 2.282 2.108 2.528 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL HA 1 87 ASP H . 2.680 4.020 3.835 3.433 4.127 0.107 6 0 "[ . 1 . 2]" 1
237 1 22 VAL H 1 22 VAL HB . . 2.940 2.612 2.416 2.919 . 0 0 "[ . 1 . 2]" 1
238 1 22 VAL H 1 23 TYR H . 4.050 6.080 4.348 4.163 4.486 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL H 1 56 VAL H . 2.950 4.420 4.213 3.657 4.493 0.073 6 0 "[ . 1 . 2]" 1
240 1 22 VAL H 1 57 GLU HA . . 3.040 3.088 2.586 3.361 0.321 13 0 "[ . 1 . 2]" 1
241 1 23 TYR HA 1 23 TYR HB2 . . 3.070 3.034 3.024 3.043 . 0 0 "[ . 1 . 2]" 1
242 1 23 TYR HA 1 24 GLY H . . 2.340 2.243 2.151 2.301 . 0 0 "[ . 1 . 2]" 1
243 1 23 TYR HB2 1 24 GLY H . . 4.100 3.939 3.838 4.135 0.035 11 0 "[ . 1 . 2]" 1
244 1 23 TYR HB3 1 24 GLY H . 2.920 4.390 2.836 2.649 3.118 0.271 7 0 "[ . 1 . 2]" 1
245 1 23 TYR HB3 1 85 LYS H . 2.020 3.400 3.551 3.442 3.638 0.238 16 0 "[ . 1 . 2]" 1
246 1 23 TYR H 1 23 TYR HB2 . 2.250 3.470 2.467 2.330 2.630 . 0 0 "[ . 1 . 2]" 1
247 1 23 TYR H 1 24 GLY H . 3.540 5.310 4.587 4.532 4.686 . 0 0 "[ . 1 . 2]" 1
248 1 23 TYR H 1 85 LYS H . 3.390 5.080 3.352 3.111 3.710 0.279 9 0 "[ . 1 . 2]" 1
249 1 23 TYR H 1 86 VAL HA . 2.390 3.580 2.721 2.346 2.954 0.044 20 0 "[ . 1 . 2]" 1
250 1 24 GLY HA2 1 84 GLU H . . 3.370 3.028 2.214 3.417 0.047 16 0 "[ . 1 . 2]" 1
251 1 24 GLY HA3 1 25 LEU H . . 2.700 2.324 2.236 2.492 . 0 0 "[ . 1 . 2]" 1
252 1 24 GLY HA3 1 84 GLU H . . 3.370 2.031 1.918 2.183 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLY H 1 24 GLY HA2 . . 3.040 2.513 2.410 2.668 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLY H 1 24 GLY HA3 . . 3.040 2.978 2.926 2.994 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLY H 1 24 GLY QA . . 2.680 2.385 2.315 2.474 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLY QA 1 25 LEU H . . 2.520 2.216 2.164 2.273 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLY QA 1 83 VAL HA . . 3.810 2.518 2.160 2.943 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLY QA 1 84 GLU H . . 2.910 1.990 1.891 2.150 . 0 0 "[ . 1 . 2]" 1
259 1 25 LEU HA 1 25 LEU HG . . 2.750 2.796 2.751 2.896 0.146 16 0 "[ . 1 . 2]" 1
260 1 25 LEU H 1 82 GLU H . 3.270 4.910 4.115 3.562 4.918 0.008 14 0 "[ . 1 . 2]" 1
261 1 25 LEU H 1 83 VAL HA . 2.230 3.750 3.718 3.379 3.882 0.132 4 0 "[ . 1 . 2]" 1
262 1 25 LEU H 1 83 VAL HB . . 6.260 5.664 5.344 6.054 . 0 0 "[ . 1 . 2]" 1
263 1 27 GLN HA 1 27 GLN HG2 . 2.040 3.320 3.504 3.344 3.562 0.242 10 0 "[ . 1 . 2]" 1
264 1 27 GLN HA 1 27 GLN HG3 . 2.040 3.230 2.407 2.273 2.700 . 0 0 "[ . 1 . 2]" 1
265 1 27 GLN HA 1 27 GLN QG . . 3.020 2.366 2.245 2.623 . 0 0 "[ . 1 . 2]" 1
266 1 27 GLN HA 1 28 GLY H . . 2.730 2.350 2.118 2.899 0.169 17 0 "[ . 1 . 2]" 1
267 1 27 GLN HE21 1 50 ASN HA . 2.370 3.550 3.415 2.448 3.642 0.092 7 0 "[ . 1 . 2]" 1
268 1 27 GLN HE21 1 51 LEU H . 3.030 4.540 3.320 2.525 4.148 0.505 2 1 "[ + . 1 . 2]" 1
269 1 27 GLN HE21 1 52 PRO QB . . 4.700 4.198 4.058 4.302 . 0 0 "[ . 1 . 2]" 1
270 1 27 GLN HE22 1 50 ASN HA . 2.570 3.910 2.971 2.379 3.927 0.191 17 0 "[ . 1 . 2]" 1
271 1 27 GLN HE22 1 51 LEU MD1 . . 6.000 4.367 4.006 5.026 . 0 0 "[ . 1 . 2]" 1
272 1 27 GLN H 1 28 GLY H . . 7.200 4.255 2.983 4.654 . 0 0 "[ . 1 . 2]" 1
273 1 27 GLN QB 1 27 GLN QG . . 2.460 2.018 1.982 2.107 . 0 0 "[ . 1 . 2]" 1
274 1 28 GLY H 1 28 GLY HA2 . . 2.850 2.408 2.269 2.880 0.030 14 0 "[ . 1 . 2]" 1
275 1 28 GLY H 1 28 GLY HA3 . . 2.850 2.886 2.762 2.968 0.118 10 0 "[ . 1 . 2]" 1
276 1 28 GLY H 1 28 GLY QA . . 2.620 2.277 2.179 2.516 . 0 0 "[ . 1 . 2]" 1
277 1 28 GLY H 1 29 VAL H . . 7.200 3.134 1.856 4.305 0.144 17 0 "[ . 1 . 2]" 1
278 1 29 VAL HA 1 30 GLY H . . 2.640 2.435 2.172 2.764 0.124 14 0 "[ . 1 . 2]" 1
279 1 29 VAL H 1 30 GLY H . . 7.200 4.264 3.198 4.686 . 0 0 "[ . 1 . 2]" 1
280 1 30 GLY H 1 30 GLY QA . . 2.770 2.191 2.173 2.215 . 0 0 "[ . 1 . 2]" 1
281 1 30 GLY H 1 31 PHE H . 3.180 4.770 3.713 3.097 4.600 0.083 11 0 "[ . 1 . 2]" 1
282 1 30 GLY QA 1 33 LYS H . 3.080 6.770 4.207 2.959 5.547 0.121 1 0 "[ . 1 . 2]" 1
283 1 31 PHE HA 1 31 PHE QB . . 2.640 2.327 2.134 2.431 . 0 0 "[ . 1 . 2]" 1
284 1 31 PHE HA 1 34 PHE HB2 . 2.400 3.600 3.327 2.513 3.691 0.091 15 0 "[ . 1 . 2]" 1
285 1 31 PHE HA 1 34 PHE HB3 . 2.080 3.130 2.813 2.348 3.203 0.073 13 0 "[ . 1 . 2]" 1
286 1 31 PHE HA 1 34 PHE H . 2.370 3.560 3.465 2.965 3.700 0.140 11 0 "[ . 1 . 2]" 1
287 1 31 PHE H 1 31 PHE HA . . 2.890 2.574 2.183 2.940 0.050 18 0 "[ . 1 . 2]" 1
288 1 31 PHE H 1 31 PHE HB2 . . 3.530 2.993 2.301 3.584 0.054 7 0 "[ . 1 . 2]" 1
289 1 31 PHE H 1 31 PHE QB . . 3.050 2.599 2.048 2.965 . 0 0 "[ . 1 . 2]" 1
290 1 33 LYS HA 1 102 THR MG . 2.420 3.620 2.876 2.686 3.050 . 0 0 "[ . 1 . 2]" 1
291 1 33 LYS HA 1 33 LYS QG . . 3.710 2.509 2.239 3.031 . 0 0 "[ . 1 . 2]" 1
292 1 33 LYS HA 1 36 GLN HB2 . . 3.860 2.613 2.251 3.600 . 0 0 "[ . 1 . 2]" 1
293 1 33 LYS HA 1 36 GLN HB3 . . 3.860 3.200 2.202 4.014 0.154 9 0 "[ . 1 . 2]" 1
294 1 33 LYS HA 1 36 GLN H . . 6.260 3.322 3.045 3.634 . 0 0 "[ . 1 . 2]" 1
295 1 33 LYS HA 1 36 GLN QB . 2.010 3.160 2.347 2.177 2.538 . 0 0 "[ . 1 . 2]" 1
296 1 33 LYS H 1 33 LYS QG . . 4.660 3.919 3.611 4.061 . 0 0 "[ . 1 . 2]" 1
297 1 33 LYS H 1 34 PHE H . 2.710 4.560 2.684 2.475 3.100 0.235 16 0 "[ . 1 . 2]" 1
298 1 34 PHE HA 1 34 PHE HB2 . . 3.010 2.457 2.420 2.496 . 0 0 "[ . 1 . 2]" 1
299 1 34 PHE HA 1 37 ILE HB . . 6.260 3.334 3.046 3.650 . 0 0 "[ . 1 . 2]" 1
300 1 34 PHE HA 1 37 ILE H . 2.770 4.150 3.564 3.380 3.826 . 0 0 "[ . 1 . 2]" 1
301 1 34 PHE HB2 1 35 VAL H . 2.490 3.740 3.807 3.714 3.899 0.159 14 0 "[ . 1 . 2]" 1
302 1 34 PHE HB3 1 35 VAL H . 2.100 3.140 2.510 2.343 2.660 . 0 0 "[ . 1 . 2]" 1
303 1 34 PHE H 1 34 PHE HB2 . . 2.580 2.343 2.254 2.556 . 0 0 "[ . 1 . 2]" 1
304 1 34 PHE H 1 35 VAL H . 2.700 4.050 2.948 2.732 3.082 . 0 0 "[ . 1 . 2]" 1
305 1 35 VAL HA 1 38 HIS H . 3.050 4.580 3.785 3.131 4.279 . 0 0 "[ . 1 . 2]" 1
306 1 36 GLN HA 1 39 ALA H . 2.740 4.110 3.720 3.403 4.016 . 0 0 "[ . 1 . 2]" 1
307 1 36 GLN HA 1 39 ALA MB . 2.180 3.280 2.334 2.125 2.549 0.055 14 0 "[ . 1 . 2]" 1
308 1 36 GLN HA 1 40 ILE H . 2.980 4.480 3.580 3.188 3.895 . 0 0 "[ . 1 . 2]" 1
309 1 36 GLN HB2 1 36 GLN HE22 . . 5.190 4.059 3.539 4.985 . 0 0 "[ . 1 . 2]" 1
310 1 36 GLN HB3 1 36 GLN HE22 . . 5.190 4.734 3.523 5.098 . 0 0 "[ . 1 . 2]" 1
311 1 36 GLN HG2 1 37 ILE H . . 6.120 4.786 4.197 5.300 . 0 0 "[ . 1 . 2]" 1
312 1 36 GLN HG3 1 37 ILE H . . 6.120 4.565 3.652 5.164 . 0 0 "[ . 1 . 2]" 1
313 1 36 GLN H 1 36 GLN QE . . 4.280 3.301 2.579 3.842 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLN H 1 36 GLN QG . 3.120 6.120 3.890 2.803 4.102 0.317 9 0 "[ . 1 . 2]" 1
315 1 36 GLN QB 1 36 GLN QE . . 4.020 2.473 1.882 3.350 . 0 0 "[ . 1 . 2]" 1
316 1 36 GLN QB 1 37 ILE H . 2.600 6.120 2.538 2.130 2.985 0.470 10 0 "[ . 1 . 2]" 1
317 1 36 GLN QE 1 40 ILE MD . . 5.120 3.451 2.345 3.910 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLN QG 1 37 ILE H . . 6.120 4.133 3.450 4.652 . 0 0 "[ . 1 . 2]" 1
319 1 37 ILE HA 1 37 ILE MD . . 3.060 2.181 2.145 2.240 . 0 0 "[ . 1 . 2]" 1
320 1 37 ILE HA 1 40 ILE HB . 2.030 3.060 3.082 2.900 3.173 0.113 20 0 "[ . 1 . 2]" 1
321 1 37 ILE HA 1 40 ILE H . . 6.260 4.046 3.609 4.371 . 0 0 "[ . 1 . 2]" 1
322 1 37 ILE HA 1 40 ILE MD . 3.640 6.430 4.480 4.285 4.706 . 0 0 "[ . 1 . 2]" 1
323 1 37 ILE HB 1 38 HIS H . 2.110 3.150 2.466 2.342 2.834 . 0 0 "[ . 1 . 2]" 1
324 1 37 ILE H 1 37 ILE MD . 3.700 5.550 3.002 2.576 3.758 1.124 7 15 "[****.*+*** *-*** *]" 1
325 1 37 ILE H 1 37 ILE MG . 2.640 4.910 3.817 3.757 3.842 . 0 0 "[ . 1 . 2]" 1
326 1 37 ILE H 1 38 HIS HD2 . 4.320 6.480 4.889 4.414 5.857 . 0 0 "[ . 1 . 2]" 1
327 1 37 ILE H 1 38 HIS H . 2.860 4.290 3.173 2.714 3.417 0.146 17 0 "[ . 1 . 2]" 1
328 1 37 ILE MD 1 38 HIS HD2 . 3.890 6.070 5.145 5.086 5.206 . 0 0 "[ . 1 . 2]" 1
329 1 37 ILE QG 1 38 HIS H . . 5.910 4.036 3.932 4.410 . 0 0 "[ . 1 . 2]" 1
330 1 37 ILE MG 1 38 HIS HA . 2.800 5.180 3.208 3.056 3.405 . 0 0 "[ . 1 . 2]" 1
331 1 37 ILE MG 1 38 HIS HD2 . 2.970 5.590 2.592 2.090 2.995 0.880 11 4 "[ * *1+ . - 2]" 1
332 1 37 ILE MG 1 38 HIS H . 3.020 5.500 3.185 2.762 3.369 0.258 11 0 "[ . 1 . 2]" 1
333 1 37 ILE MG 1 41 ARG QD . 2.470 6.810 4.549 3.134 5.097 . 0 0 "[ . 1 . 2]" 1
334 1 38 HIS HA 1 38 HIS HD2 . 2.830 4.260 3.319 2.855 3.671 . 0 0 "[ . 1 . 2]" 1
335 1 38 HIS HA 1 41 ARG HB2 . 2.510 4.220 3.108 2.268 3.681 0.242 11 0 "[ . 1 . 2]" 1
336 1 38 HIS HA 1 41 ARG HB3 . 2.510 4.220 2.690 2.405 3.935 0.105 19 0 "[ . 1 . 2]" 1
337 1 38 HIS HA 1 41 ARG H . 2.640 3.970 3.418 3.162 3.725 . 0 0 "[ . 1 . 2]" 1
338 1 38 HIS HA 1 41 ARG QD . . 4.870 3.877 3.025 4.436 . 0 0 "[ . 1 . 2]" 1
339 1 38 HIS HA 1 42 LEU H . 3.730 6.040 4.017 3.708 4.468 0.022 18 0 "[ . 1 . 2]" 1
340 1 38 HIS HB2 1 39 ALA H . 2.050 3.440 2.706 2.531 3.108 . 0 0 "[ . 1 . 2]" 1
341 1 38 HIS HB3 1 39 ALA H . 2.050 3.440 3.338 3.081 3.618 0.178 18 0 "[ . 1 . 2]" 1
342 1 38 HIS H 1 38 HIS HD2 . 3.220 6.780 2.672 2.535 3.114 0.685 16 17 "[******** * **-*+* **]" 1
343 1 38 HIS H 1 39 ALA H . 2.640 3.970 2.702 2.568 2.796 0.072 18 0 "[ . 1 . 2]" 1
344 1 38 HIS H 1 42 LEU H . 4.720 7.080 6.041 5.890 6.470 . 0 0 "[ . 1 . 2]" 1
345 1 38 HIS QB 1 39 ALA H . 2.010 3.140 2.595 2.456 2.938 . 0 0 "[ . 1 . 2]" 1
346 1 39 ALA HA 1 41 ARG H . 2.990 4.550 4.691 4.403 4.809 0.259 1 0 "[ . 1 . 2]" 1
347 1 39 ALA HA 1 42 LEU H . 2.790 4.180 3.803 3.641 4.133 . 0 0 "[ . 1 . 2]" 1
348 1 39 ALA H 1 39 ALA HA . . 2.850 2.717 2.693 2.885 0.035 18 0 "[ . 1 . 2]" 1
349 1 39 ALA H 1 39 ALA MB . . 2.940 2.209 2.106 2.271 . 0 0 "[ . 1 . 2]" 1
350 1 39 ALA H 1 40 ILE H . 2.770 4.150 3.081 2.874 3.252 . 0 0 "[ . 1 . 2]" 1
351 1 39 ALA MB 1 40 ILE H . . 3.130 2.260 2.012 2.467 . 0 0 "[ . 1 . 2]" 1
352 1 39 ALA MB 1 40 ILE MD . 2.310 3.800 2.403 2.326 2.476 . 0 0 "[ . 1 . 2]" 1
353 1 39 ALA MB 1 40 ILE QG . 3.300 8.070 4.241 4.183 4.294 . 0 0 "[ . 1 . 2]" 1
354 1 39 ALA MB 1 44 ILE HB . 2.070 3.110 2.158 2.063 2.270 0.007 9 0 "[ . 1 . 2]" 1
355 1 40 ILE HA 1 40 ILE MG . . 3.500 2.796 2.709 2.867 . 0 0 "[ . 1 . 2]" 1
356 1 40 ILE HA 1 43 GLY H . 3.030 4.540 3.499 3.074 4.011 . 0 0 "[ . 1 . 2]" 1
357 1 40 ILE HB 1 41 ARG H . . 6.260 2.919 2.591 3.196 . 0 0 "[ . 1 . 2]" 1
358 1 40 ILE H 1 40 ILE HA . . 2.840 2.819 2.698 2.900 0.060 17 0 "[ . 1 . 2]" 1
359 1 40 ILE H 1 40 ILE MD . . 7.200 2.301 1.912 2.572 0.088 11 0 "[ . 1 . 2]" 1
360 1 40 ILE H 1 41 ARG H . 2.240 4.410 2.783 2.531 3.122 . 0 0 "[ . 1 . 2]" 1
361 1 40 ILE MG 1 41 ARG H . 2.940 5.370 2.825 2.594 3.049 0.346 16 0 "[ . 1 . 2]" 1
362 1 41 ARG HA 1 41 ARG QD . 2.590 6.030 3.530 3.060 3.938 . 0 0 "[ . 1 . 2]" 1
363 1 41 ARG HA 1 41 ARG QG . . 3.120 2.288 2.212 2.608 . 0 0 "[ . 1 . 2]" 1
364 1 41 ARG H 1 41 ARG HA . . 3.040 2.787 2.682 2.913 . 0 0 "[ . 1 . 2]" 1
365 1 41 ARG H 1 41 ARG QB . . 3.520 2.162 2.056 2.403 . 0 0 "[ . 1 . 2]" 1
366 1 41 ARG H 1 41 ARG QD . 2.910 6.510 4.404 4.198 4.861 . 0 0 "[ . 1 . 2]" 1
367 1 41 ARG H 1 41 ARG QG . 2.610 3.980 3.756 2.523 3.933 0.087 18 0 "[ . 1 . 2]" 1
368 1 41 ARG H 1 42 LEU H . . 2.760 2.750 2.526 2.960 0.200 5 0 "[ . 1 . 2]" 1
369 1 41 ARG H 1 43 GLY H . 3.000 4.500 4.169 3.980 4.592 0.092 2 0 "[ . 1 . 2]" 1
370 1 41 ARG QB 1 41 ARG QG . . 2.410 2.009 1.960 2.090 . 0 0 "[ . 1 . 2]" 1
371 1 41 ARG QB 1 42 LEU H . . 4.050 2.627 2.367 2.834 . 0 0 "[ . 1 . 2]" 1
372 1 41 ARG QG 1 42 LEU H . . 7.180 4.246 3.707 4.488 . 0 0 "[ . 1 . 2]" 1
373 1 42 LEU HA 1 42 LEU QB . . 2.630 2.345 2.296 2.370 . 0 0 "[ . 1 . 2]" 1
374 1 42 LEU H 1 42 LEU HG . . 2.590 2.459 2.340 2.657 0.067 5 0 "[ . 1 . 2]" 1
375 1 42 LEU H 1 43 GLY H . 2.630 3.950 2.706 2.481 2.927 0.149 2 0 "[ . 1 . 2]" 1
376 1 42 LEU H 1 44 ILE H . 4.560 7.290 4.321 4.069 4.541 0.491 16 0 "[ . 1 . 2]" 1
377 1 43 GLY HA2 1 44 ILE H . 2.160 3.380 2.580 2.498 2.719 . 0 0 "[ . 1 . 2]" 1
378 1 43 GLY H 1 43 GLY QA . . 2.680 2.188 2.162 2.358 . 0 0 "[ . 1 . 2]" 1
379 1 43 GLY H 1 44 ILE H . 2.680 4.020 2.903 2.425 3.220 0.255 2 0 "[ . 1 . 2]" 1
380 1 43 GLY QA 1 44 ILE H . . 3.180 2.525 2.453 2.642 . 0 0 "[ . 1 . 2]" 1
381 1 44 ILE HA 1 44 ILE MD . . 2.920 2.177 2.157 2.237 . 0 0 "[ . 1 . 2]" 1
382 1 44 ILE H 1 44 ILE MD . 3.750 6.300 3.846 3.558 4.002 0.192 16 0 "[ . 1 . 2]" 1
383 1 44 ILE H 1 44 ILE MG . 2.590 4.830 3.780 3.710 3.839 . 0 0 "[ . 1 . 2]" 1
384 1 44 ILE H 1 45 LYS H . 3.250 4.870 4.431 4.385 4.512 . 0 0 "[ . 1 . 2]" 1
385 1 44 ILE MD 1 61 GLU H . . 7.180 4.023 3.735 4.315 . 0 0 "[ . 1 . 2]" 1
386 1 44 ILE QG 1 45 LYS H . . 4.860 4.548 4.480 4.603 . 0 0 "[ . 1 . 2]" 1
387 1 44 ILE QG 1 61 GLU H . . 5.580 5.073 4.970 5.225 . 0 0 "[ . 1 . 2]" 1
388 1 44 ILE MG 1 61 GLU H . 2.160 4.960 2.175 2.086 2.285 0.074 15 0 "[ . 1 . 2]" 1
389 1 45 LYS HA 1 45 LYS QG . . 3.810 2.565 2.369 3.268 . 0 0 "[ . 1 . 2]" 1
390 1 45 LYS HA 1 99 ASP H . 2.790 4.190 3.846 3.008 4.327 0.137 9 0 "[ . 1 . 2]" 1
391 1 45 LYS HB2 1 46 GLY H . . 3.250 3.400 3.252 3.489 0.239 7 0 "[ . 1 . 2]" 1
392 1 45 LYS HB3 1 46 GLY H . . 3.250 2.473 2.302 2.762 . 0 0 "[ . 1 . 2]" 1
393 1 45 LYS H 1 45 LYS HB2 . . 3.310 2.667 2.516 2.842 . 0 0 "[ . 1 . 2]" 1
394 1 45 LYS H 1 45 LYS HG2 . 2.370 3.700 3.430 2.320 3.776 0.076 8 0 "[ . 1 . 2]" 1
395 1 45 LYS H 1 45 LYS HG3 . 2.370 3.700 2.775 2.352 3.870 0.170 12 0 "[ . 1 . 2]" 1
396 1 45 LYS H 1 45 LYS QB . . 3.230 2.611 2.476 2.761 . 0 0 "[ . 1 . 2]" 1
397 1 45 LYS H 1 45 LYS QG . 2.280 3.520 2.513 2.300 2.681 . 0 0 "[ . 1 . 2]" 1
398 1 45 LYS QB 1 45 LYS QE . . 4.530 3.591 2.523 3.712 . 0 0 "[ . 1 . 2]" 1
399 1 45 LYS QB 1 46 GLY H . . 2.950 2.414 2.266 2.644 . 0 0 "[ . 1 . 2]" 1
400 1 45 LYS QG 1 46 GLY QA . . 8.090 5.262 5.189 5.349 . 0 0 "[ . 1 . 2]" 1
401 1 46 GLY HA2 1 47 TYR H . . 3.060 3.014 2.803 3.150 0.090 20 0 "[ . 1 . 2]" 1
402 1 46 GLY HA2 1 60 ALA HA . 2.160 4.590 3.734 2.918 4.332 . 0 0 "[ . 1 . 2]" 1
403 1 46 GLY HA3 1 60 ALA HA . 2.160 4.590 2.474 2.205 2.840 . 0 0 "[ . 1 . 2]" 1
404 1 46 GLY H 1 101 GLU H . 3.390 5.080 4.655 4.151 4.974 . 0 0 "[ . 1 . 2]" 1
405 1 46 GLY QA 1 47 TYR H . . 2.550 2.170 2.122 2.240 . 0 0 "[ . 1 . 2]" 1
406 1 46 GLY QA 1 60 ALA HA . 2.510 3.860 2.438 2.171 2.803 0.339 14 0 "[ . 1 . 2]" 1
407 1 46 GLY QA 1 61 GLU H . . 4.600 3.300 3.008 3.519 . 0 0 "[ . 1 . 2]" 1
408 1 47 TYR HA 1 101 GLU H . . 6.000 2.824 2.565 3.005 . 0 0 "[ . 1 . 2]" 1
409 1 47 TYR HB2 1 48 ALA H . 2.010 4.180 4.260 4.172 4.335 0.155 4 0 "[ . 1 . 2]" 1
410 1 47 TYR HB3 1 48 ALA H . 2.010 3.790 3.679 3.297 3.899 0.109 7 0 "[ . 1 . 2]" 1
411 1 47 TYR H 1 59 VAL H . 2.930 4.400 2.933 2.669 3.635 0.261 17 0 "[ . 1 . 2]" 1
412 1 47 TYR H 1 60 ALA HA . 2.610 3.920 3.775 3.141 4.067 0.147 13 0 "[ . 1 . 2]" 1
413 1 47 TYR QB 1 48 ALA H . 2.130 3.690 3.466 3.200 3.588 . 0 0 "[ . 1 . 2]" 1
414 1 48 ALA HA 1 49 LYS HA . . 6.260 4.519 4.442 4.590 . 0 0 "[ . 1 . 2]" 1
415 1 48 ALA HA 1 49 LYS H . . 2.300 2.337 2.298 2.402 0.102 17 0 "[ . 1 . 2]" 1
416 1 48 ALA HA 1 58 VAL HA . . 2.660 2.429 2.194 2.621 . 0 0 "[ . 1 . 2]" 1
417 1 48 ALA HA 1 59 VAL H . 2.550 3.830 3.675 3.293 3.908 0.078 3 0 "[ . 1 . 2]" 1
418 1 48 ALA H 1 102 THR HA . 2.040 3.060 2.569 2.326 2.820 . 0 0 "[ . 1 . 2]" 1
419 1 48 ALA H 1 103 TYR H . 2.380 3.700 3.858 3.697 3.996 0.296 9 0 "[ . 1 . 2]" 1
420 1 48 ALA MB 1 102 THR HA . 2.900 4.350 2.150 2.066 2.287 0.834 8 20 [*-*****+************] 1
421 1 48 ALA MB 1 102 THR HB . 2.100 3.140 2.431 2.342 2.526 . 0 0 "[ . 1 . 2]" 1
422 1 49 LYS HA 1 103 TYR H . . 2.890 2.892 2.236 3.137 0.247 6 0 "[ . 1 . 2]" 1
423 1 49 LYS HA 1 49 LYS HG3 . . 3.680 2.669 2.429 3.495 . 0 0 "[ . 1 . 2]" 1
424 1 49 LYS HA 1 49 LYS QG . . 3.040 2.542 2.372 2.793 . 0 0 "[ . 1 . 2]" 1
425 1 49 LYS HA 1 50 ASN H . . 2.430 2.185 2.046 2.385 . 0 0 "[ . 1 . 2]" 1
426 1 49 LYS H 1 49 LYS QG . 2.420 5.780 3.918 3.787 4.049 . 0 0 "[ . 1 . 2]" 1
427 1 49 LYS H 1 50 ASN HA . 3.330 5.000 5.141 5.005 5.220 0.220 10 0 "[ . 1 . 2]" 1
428 1 49 LYS H 1 57 GLU H . 2.860 4.300 4.131 3.688 4.410 0.110 1 0 "[ . 1 . 2]" 1
429 1 49 LYS H 1 58 VAL HA . 2.220 3.330 3.223 2.976 3.460 0.130 3 0 "[ . 1 . 2]" 1
430 1 50 ASN HA 1 50 ASN HB2 . . 2.520 2.492 2.412 2.582 0.062 16 0 "[ . 1 . 2]" 1
431 1 50 ASN HA 1 57 GLU H . . 6.000 3.614 3.129 4.300 . 0 0 "[ . 1 . 2]" 1
432 1 50 ASN HB2 1 51 LEU H . . 6.000 4.471 3.683 4.716 . 0 0 "[ . 1 . 2]" 1
433 1 50 ASN HB3 1 51 LEU H . . 6.000 4.468 4.207 4.584 . 0 0 "[ . 1 . 2]" 1
434 1 50 ASN H 1 50 ASN HB2 . . 3.000 2.717 2.350 3.494 0.494 18 0 "[ . 1 . 2]" 1
435 1 50 ASN H 1 50 ASN HB3 . . 2.700 2.533 2.365 2.849 0.149 16 0 "[ . 1 . 2]" 1
436 1 50 ASN QD 1 51 LEU H . 3.040 6.730 4.577 3.891 5.917 . 0 0 "[ . 1 . 2]" 1
437 1 51 LEU HA 1 51 LEU HB3 . . 2.560 2.399 2.142 2.566 0.006 14 0 "[ . 1 . 2]" 1
438 1 51 LEU HA 1 51 LEU HG . . 2.930 2.839 2.404 3.075 0.145 7 0 "[ . 1 . 2]" 1
439 1 51 LEU H 1 51 LEU HA . . 3.060 2.885 2.744 2.969 . 0 0 "[ . 1 . 2]" 1
440 1 51 LEU H 1 51 LEU HB2 . . 3.150 2.538 2.238 3.097 . 0 0 "[ . 1 . 2]" 1
441 1 51 LEU H 1 51 LEU HG . . 2.810 2.427 1.974 2.900 0.090 10 0 "[ . 1 . 2]" 1
442 1 51 LEU H 1 51 LEU QB . . 2.920 2.479 2.214 2.905 . 0 0 "[ . 1 . 2]" 1
443 1 53 ASP H 1 53 ASP HB2 . 2.320 4.080 3.358 2.504 4.076 . 0 0 "[ . 1 . 2]" 1
444 1 53 ASP H 1 53 ASP HB3 . 2.320 4.080 3.439 2.940 3.895 . 0 0 "[ . 1 . 2]" 1
445 1 53 ASP H 1 53 ASP QB . 2.390 3.680 2.949 2.463 3.434 . 0 0 "[ . 1 . 2]" 1
446 1 53 ASP H 1 54 GLY H . 2.430 3.640 2.507 2.030 3.295 0.400 2 0 "[ . 1 . 2]" 1
447 1 54 GLY H 1 55 SER H . 2.570 3.860 3.609 2.004 4.087 0.566 10 1 "[ . + . 2]" 1
448 1 55 SER HA 1 56 VAL H . . 2.510 2.322 2.152 2.546 0.036 18 0 "[ . 1 . 2]" 1
449 1 55 SER QB 1 56 VAL H . 2.520 4.130 3.083 2.322 3.896 0.198 4 0 "[ . 1 . 2]" 1
450 1 56 VAL HA 1 56 VAL HB . . 2.480 2.328 2.242 2.410 . 0 0 "[ . 1 . 2]" 1
451 1 56 VAL HA 1 57 GLU H . . 2.260 2.124 2.042 2.216 . 0 0 "[ . 1 . 2]" 1
452 1 58 VAL HA 1 59 VAL H . . 2.240 2.210 2.136 2.246 0.006 4 0 "[ . 1 . 2]" 1
453 1 58 VAL H 1 58 VAL HB . . 2.680 2.522 2.379 2.610 . 0 0 "[ . 1 . 2]" 1
454 1 59 VAL HA 1 60 ALA H . . 2.330 2.313 2.207 2.450 0.120 8 0 "[ . 1 . 2]" 1
455 1 59 VAL H 1 59 VAL HA . . 3.010 2.976 2.939 3.002 . 0 0 "[ . 1 . 2]" 1
456 1 60 ALA HA 1 61 GLU H . . 2.450 2.233 2.143 2.388 . 0 0 "[ . 1 . 2]" 1
457 1 60 ALA H 1 60 ALA MB . . 3.370 2.393 2.115 2.786 . 0 0 "[ . 1 . 2]" 1
458 1 60 ALA MB 1 61 GLU H . 2.590 3.890 2.993 2.683 3.290 . 0 0 "[ . 1 . 2]" 1
459 1 61 GLU HA 1 61 GLU HG2 . . 3.080 2.477 2.270 3.127 0.047 7 0 "[ . 1 . 2]" 1
460 1 61 GLU HA 1 61 GLU HG3 . . 3.080 3.073 2.396 3.258 0.178 14 0 "[ . 1 . 2]" 1
461 1 61 GLU HA 1 61 GLU QG . . 2.810 2.334 2.129 2.510 . 0 0 "[ . 1 . 2]" 1
462 1 61 GLU HA 1 62 GLY H . . 2.370 2.318 2.175 2.384 0.014 8 0 "[ . 1 . 2]" 1
463 1 61 GLU H 1 61 GLU HB2 . 2.290 3.880 2.512 2.247 2.712 0.043 19 0 "[ . 1 . 2]" 1
464 1 61 GLU H 1 61 GLU HB3 . 2.290 3.880 3.588 2.464 3.706 . 0 0 "[ . 1 . 2]" 1
465 1 61 GLU H 1 61 GLU QB . 2.300 3.550 2.452 2.219 2.577 0.081 19 0 "[ . 1 . 2]" 1
466 1 61 GLU H 1 61 GLU QG . . 4.710 2.676 2.422 3.978 . 0 0 "[ . 1 . 2]" 1
467 1 61 GLU QB 1 62 GLY H . 3.040 4.300 3.589 3.340 3.994 . 0 0 "[ . 1 . 2]" 1
468 1 63 TYR HA 1 64 GLU H . . 3.500 2.878 2.375 3.537 0.037 14 0 "[ . 1 . 2]" 1
469 1 63 TYR HB2 1 64 GLU H . 2.140 4.020 3.123 2.077 3.929 0.063 5 0 "[ . 1 . 2]" 1
470 1 63 TYR H 1 63 TYR HA . . 2.840 2.860 2.732 2.935 0.095 2 0 "[ . 1 . 2]" 1
471 1 63 TYR H 1 63 TYR HB2 . . 3.030 2.244 2.085 3.059 0.029 20 0 "[ . 1 . 2]" 1
472 1 64 GLU HA 1 64 GLU QG . . 3.590 2.636 2.349 3.369 . 0 0 "[ . 1 . 2]" 1
473 1 64 GLU H 1 65 GLU H . 2.540 3.820 2.515 2.315 2.943 0.225 10 0 "[ . 1 . 2]" 1
474 1 64 GLU QB 1 67 LEU H . . 4.400 4.257 4.158 4.341 . 0 0 "[ . 1 . 2]" 1
475 1 65 GLU HB2 1 66 ALA H . 2.880 4.840 3.062 2.386 4.237 0.494 20 0 "[ . 1 . 2]" 1
476 1 65 GLU HB3 1 66 ALA H . 2.880 4.840 3.790 3.401 4.283 . 0 0 "[ . 1 . 2]" 1
477 1 65 GLU H 1 65 GLU HA . . 3.030 2.818 2.675 2.921 . 0 0 "[ . 1 . 2]" 1
478 1 65 GLU H 1 65 GLU HG2 . . 3.430 3.220 2.096 3.487 0.057 20 0 "[ . 1 . 2]" 1
479 1 65 GLU H 1 65 GLU HG3 . . 3.430 2.371 1.934 3.538 0.108 4 0 "[ . 1 . 2]" 1
480 1 65 GLU H 1 65 GLU QB . . 2.830 2.410 2.320 2.679 . 0 0 "[ . 1 . 2]" 1
481 1 65 GLU H 1 65 GLU QG . . 3.010 2.149 1.925 2.338 0.005 6 0 "[ . 1 . 2]" 1
482 1 65 GLU H 1 66 ALA H . 2.500 4.390 2.680 2.389 3.037 0.111 8 0 "[ . 1 . 2]" 1
483 1 65 GLU QB 1 66 ALA H . 2.950 4.500 2.903 2.348 3.795 0.602 20 6 "[ - . * 1** *. +]" 1
484 1 66 ALA HA 1 67 LEU H . 2.240 3.360 3.474 3.354 3.583 0.223 10 0 "[ . 1 . 2]" 1
485 1 66 ALA HA 1 69 LYS H . 2.310 3.450 3.401 3.202 3.541 0.091 20 0 "[ . 1 . 2]" 1
486 1 66 ALA H 1 66 ALA MB . . 2.880 2.274 2.185 2.396 . 0 0 "[ . 1 . 2]" 1
487 1 66 ALA H 1 67 LEU H . 2.020 3.920 2.459 2.115 2.666 . 0 0 "[ . 1 . 2]" 1
488 1 67 LEU H 1 67 LEU HA . . 2.920 2.871 2.753 2.911 . 0 0 "[ . 1 . 2]" 1
489 1 67 LEU H 1 67 LEU QB . . 3.690 2.288 2.238 2.323 . 0 0 "[ . 1 . 2]" 1
490 1 67 LEU H 1 68 SER H . 2.470 3.700 2.825 2.636 3.278 . 0 0 "[ . 1 . 2]" 1
491 1 67 LEU QB 1 67 LEU HG . . 2.430 2.344 2.260 2.437 0.007 19 0 "[ . 1 . 2]" 1
492 1 67 LEU QB 1 68 SER H . . 4.400 2.119 2.006 2.240 . 0 0 "[ . 1 . 2]" 1
493 1 68 SER HA 1 68 SER QB . . 2.430 2.201 2.155 2.336 . 0 0 "[ . 1 . 2]" 1
494 1 68 SER HA 1 71 LEU H . . 3.500 3.515 3.330 3.669 0.169 20 0 "[ . 1 . 2]" 1
495 1 68 SER H 1 69 LYS H . 2.650 4.100 3.082 3.007 3.153 . 0 0 "[ . 1 . 2]" 1
496 1 68 SER QB 1 69 LYS H . . 4.340 3.265 2.470 3.587 . 0 0 "[ . 1 . 2]" 1
497 1 69 LYS HA 1 69 LYS QB . . 2.700 2.431 2.140 2.545 . 0 0 "[ . 1 . 2]" 1
498 1 69 LYS HA 1 69 LYS QG . . 3.600 2.525 2.189 3.234 . 0 0 "[ . 1 . 2]" 1
499 1 69 LYS HB2 1 70 LEU H . . 6.260 2.970 2.588 4.296 . 0 0 "[ . 1 . 2]" 1
500 1 69 LYS HB3 1 70 LEU H . . 6.260 3.394 2.772 3.943 . 0 0 "[ . 1 . 2]" 1
501 1 69 LYS H 1 69 LYS QB . . 3.530 2.232 1.972 2.506 . 0 0 "[ . 1 . 2]" 1
502 1 69 LYS H 1 69 LYS QD . . 3.710 2.654 1.940 3.551 . 0 0 "[ . 1 . 2]" 1
503 1 69 LYS H 1 69 LYS QG . . 4.120 3.184 1.951 3.931 . 0 0 "[ . 1 . 2]" 1
504 1 69 LYS H 1 70 LEU H . . 6.000 2.845 2.655 3.011 . 0 0 "[ . 1 . 2]" 1
505 1 69 LYS QB 1 69 LYS QE . 2.500 5.990 3.540 2.196 3.851 0.304 3 0 "[ . 1 . 2]" 1
506 1 69 LYS QB 1 69 LYS QG . . 2.470 2.019 1.979 2.121 . 0 0 "[ . 1 . 2]" 1
507 1 70 LEU H 1 70 LEU QB . . 3.010 2.166 2.103 2.215 . 0 0 "[ . 1 . 2]" 1
508 1 70 LEU H 1 71 LEU H . . 3.840 2.547 2.399 2.980 . 0 0 "[ . 1 . 2]" 1
509 1 70 LEU QB 1 70 LEU HG . . 2.600 2.188 2.071 2.353 . 0 0 "[ . 1 . 2]" 1
510 1 70 LEU QB 1 71 LEU HA . . 7.180 4.304 4.095 4.556 . 0 0 "[ . 1 . 2]" 1
511 1 70 LEU QB 1 71 LEU HG . . 7.180 5.829 5.411 6.258 . 0 0 "[ . 1 . 2]" 1
512 1 70 LEU QB 1 71 LEU H . . 4.740 2.790 2.403 3.142 . 0 0 "[ . 1 . 2]" 1
513 1 71 LEU HA 1 71 LEU QB . . 2.700 2.533 2.383 2.590 . 0 0 "[ . 1 . 2]" 1
514 1 71 LEU HA 1 72 GLU QG . 2.680 6.270 5.260 4.916 5.507 . 0 0 "[ . 1 . 2]" 1
515 1 71 LEU HA 1 74 ILE H . . 6.260 3.753 3.434 4.048 . 0 0 "[ . 1 . 2]" 1
516 1 71 LEU H 1 71 LEU HA . . 2.770 2.777 2.606 2.915 0.145 13 0 "[ . 1 . 2]" 1
517 1 71 LEU H 1 71 LEU HG . 2.110 4.020 4.139 3.859 4.365 0.345 19 0 "[ . 1 . 2]" 1
518 1 71 LEU H 1 71 LEU QB . . 3.430 2.079 1.962 2.210 . 0 0 "[ . 1 . 2]" 1
519 1 71 LEU H 1 72 GLU H . . 4.380 2.838 2.490 3.181 . 0 0 "[ . 1 . 2]" 1
520 1 71 LEU QB 1 72 GLU H . 2.600 3.880 2.367 2.074 2.546 0.526 17 1 "[ . 1 . + 2]" 1
521 1 72 GLU HA 1 72 GLU QB . 2.140 2.710 2.270 2.134 2.434 0.006 15 0 "[ . 1 . 2]" 1
522 1 72 GLU HA 1 75 LYS H . . 6.260 3.628 2.990 4.466 . 0 0 "[ . 1 . 2]" 1
523 1 72 GLU HA 1 75 LYS QD . . 3.510 2.913 2.625 3.284 . 0 0 "[ . 1 . 2]" 1
524 1 72 GLU H 1 72 GLU QB . . 3.370 2.326 2.258 2.401 . 0 0 "[ . 1 . 2]" 1
525 1 72 GLU H 1 72 GLU QG . 2.540 7.700 2.331 2.153 2.480 0.387 20 0 "[ . 1 . 2]" 1
526 1 72 GLU H 1 73 ARG H . 2.550 3.820 2.784 2.603 2.932 . 0 0 "[ . 1 . 2]" 1
527 1 72 GLU QB 1 73 ARG H . . 4.150 3.143 2.472 3.612 . 0 0 "[ . 1 . 2]" 1
528 1 73 ARG HA 1 73 ARG HB2 . . 2.900 2.229 2.137 2.306 . 0 0 "[ . 1 . 2]" 1
529 1 73 ARG HA 1 73 ARG HB3 . . 3.000 2.920 2.820 2.976 . 0 0 "[ . 1 . 2]" 1
530 1 73 ARG HA 1 73 ARG HD2 . . 2.900 2.694 2.476 3.067 0.167 12 0 "[ . 1 . 2]" 1
531 1 73 ARG HA 1 73 ARG QB . . 2.510 2.163 2.080 2.231 . 0 0 "[ . 1 . 2]" 1
532 1 73 ARG HA 1 73 ARG QG . . 3.760 3.396 3.352 3.447 . 0 0 "[ . 1 . 2]" 1
533 1 73 ARG HB3 1 74 ILE H . . 3.300 2.911 2.678 3.238 . 0 0 "[ . 1 . 2]" 1
534 1 73 ARG H 1 73 ARG HB2 . 2.050 3.600 2.896 2.651 3.157 . 0 0 "[ . 1 . 2]" 1
535 1 73 ARG H 1 73 ARG HB3 . 2.050 3.600 2.082 1.989 2.198 0.061 4 0 "[ . 1 . 2]" 1
536 1 73 ARG H 1 73 ARG QB . . 3.210 2.033 1.968 2.097 . 0 0 "[ . 1 . 2]" 1
537 1 73 ARG H 1 73 ARG QD . 3.050 6.720 4.509 4.429 4.571 . 0 0 "[ . 1 . 2]" 1
538 1 73 ARG H 1 73 ARG QG . . 4.450 3.708 3.495 3.879 . 0 0 "[ . 1 . 2]" 1
539 1 73 ARG H 1 74 ILE H . . 4.060 2.986 2.848 3.151 . 0 0 "[ . 1 . 2]" 1
540 1 73 ARG QB 1 74 ILE H . . 3.260 2.848 2.640 3.132 . 0 0 "[ . 1 . 2]" 1
541 1 73 ARG QH1 1 74 ILE HA . . 6.000 2.965 1.989 3.847 . 0 0 "[ . 1 . 2]" 1
542 1 74 ILE HA 1 77 GLY H . 2.540 3.870 3.762 3.391 4.048 0.178 13 0 "[ . 1 . 2]" 1
543 1 74 ILE HB 1 74 ILE MD . . 3.260 2.277 2.193 2.402 . 0 0 "[ . 1 . 2]" 1
544 1 74 ILE HB 1 75 LYS QG . . 5.110 4.336 3.725 4.700 . 0 0 "[ . 1 . 2]" 1
545 1 74 ILE H 1 74 ILE HA . . 2.870 2.880 2.718 2.920 0.050 4 0 "[ . 1 . 2]" 1
546 1 74 ILE H 1 74 ILE MD . 3.380 5.370 3.336 3.090 3.583 0.290 1 0 "[ . 1 . 2]" 1
547 1 74 ILE H 1 74 ILE QG . . 4.620 2.225 1.961 2.529 . 0 0 "[ . 1 . 2]" 1
548 1 74 ILE H 1 74 ILE MG . 2.700 5.010 3.804 3.744 3.834 . 0 0 "[ . 1 . 2]" 1
549 1 74 ILE H 1 75 LYS H . 2.950 4.420 2.905 2.721 3.296 0.229 15 0 "[ . 1 . 2]" 1
550 1 74 ILE MD 1 75 LYS QE . 2.140 5.350 3.689 3.124 3.992 . 0 0 "[ . 1 . 2]" 1
551 1 74 ILE MG 1 75 LYS H . 3.280 4.910 3.138 2.694 3.553 0.586 5 2 "[ - + 1 . 2]" 1
552 1 75 LYS HA 1 75 LYS QB . . 2.660 2.301 2.077 2.439 . 0 0 "[ . 1 . 2]" 1
553 1 75 LYS HB2 1 76 GLN H . 2.580 3.920 2.976 2.407 3.675 0.173 7 0 "[ . 1 . 2]" 1
554 1 75 LYS HB3 1 76 GLN H . 2.580 3.920 3.617 3.257 4.068 0.148 5 0 "[ . 1 . 2]" 1
555 1 75 LYS H 1 75 LYS HA . . 2.790 2.722 2.697 2.739 . 0 0 "[ . 1 . 2]" 1
556 1 75 LYS H 1 75 LYS QB . . 3.420 2.457 2.364 2.729 . 0 0 "[ . 1 . 2]" 1
557 1 75 LYS H 1 75 LYS QD . . 3.990 2.506 1.766 3.813 . 0 0 "[ . 1 . 2]" 1
558 1 75 LYS H 1 75 LYS QG . . 4.540 2.871 1.988 3.348 . 0 0 "[ . 1 . 2]" 1
559 1 75 LYS H 1 76 GLN H . 2.560 3.830 3.027 2.947 3.089 . 0 0 "[ . 1 . 2]" 1
560 1 76 GLN HA 1 76 GLN QG . . 3.760 2.543 2.286 3.081 . 0 0 "[ . 1 . 2]" 1
561 1 76 GLN H 1 76 GLN QB . . 3.530 2.274 2.194 2.422 . 0 0 "[ . 1 . 2]" 1
562 1 76 GLN H 1 76 GLN QG . . 4.620 3.756 2.203 4.077 . 0 0 "[ . 1 . 2]" 1
563 1 76 GLN H 1 77 GLY H . 2.560 3.840 2.796 2.495 3.267 0.065 14 0 "[ . 1 . 2]" 1
564 1 77 GLY H 1 77 GLY QA . . 2.710 2.356 2.222 2.524 . 0 0 "[ . 1 . 2]" 1
565 1 79 PRO HA 1 80 ALA H . 2.240 3.360 2.505 2.189 3.401 0.051 14 0 "[ . 1 . 2]" 1
566 1 79 PRO HA 1 81 ALA H . 3.110 4.660 4.334 3.802 4.664 0.004 7 0 "[ . 1 . 2]" 1
567 1 79 PRO QD 1 83 VAL QG . 3.290 4.900 2.441 2.117 3.340 1.173 14 19 "[*********-** +******]" 1
568 1 79 PRO QG 1 80 ALA H . . 5.270 4.087 2.992 4.679 . 0 0 "[ . 1 . 2]" 1
569 1 80 ALA H 1 81 ALA H . 2.310 4.030 3.128 2.304 3.701 0.006 7 0 "[ . 1 . 2]" 1
570 1 81 ALA HA 1 82 GLU H . . 2.360 2.409 2.377 2.461 0.101 6 0 "[ . 1 . 2]" 1
571 1 81 ALA H 1 82 GLU HA . . 6.260 4.848 4.383 5.076 . 0 0 "[ . 1 . 2]" 1
572 1 81 ALA H 1 82 GLU H . . 7.200 4.297 3.093 4.430 . 0 0 "[ . 1 . 2]" 1
573 1 82 GLU H 1 82 GLU QB . . 3.520 2.379 2.112 2.732 . 0 0 "[ . 1 . 2]" 1
574 1 83 VAL HA 1 83 VAL HB . . 2.540 2.418 2.340 2.504 . 0 0 "[ . 1 . 2]" 1
575 1 83 VAL HA 1 84 GLU H . . 2.340 2.132 2.048 2.275 . 0 0 "[ . 1 . 2]" 1
576 1 83 VAL HA 1 85 LYS H . 2.400 3.950 4.111 3.993 4.201 0.251 19 0 "[ . 1 . 2]" 1
577 1 83 VAL H 1 83 VAL HB . . 2.430 2.515 2.461 2.564 0.134 6 0 "[ . 1 . 2]" 1
578 1 84 GLU HA 1 84 GLU HG2 . 2.050 3.910 3.474 2.969 3.809 . 0 0 "[ . 1 . 2]" 1
579 1 84 GLU HA 1 84 GLU HG3 . 2.050 3.910 2.929 2.502 3.360 . 0 0 "[ . 1 . 2]" 1
580 1 84 GLU HA 1 84 GLU QB . . 2.730 2.347 2.312 2.380 . 0 0 "[ . 1 . 2]" 1
581 1 84 GLU HA 1 84 GLU QG . 2.190 3.390 2.782 2.377 3.133 . 0 0 "[ . 1 . 2]" 1
582 1 84 GLU H 1 84 GLU HA . . 2.960 2.837 2.647 2.957 . 0 0 "[ . 1 . 2]" 1
583 1 84 GLU H 1 84 GLU QB . . 3.600 2.201 2.118 2.303 . 0 0 "[ . 1 . 2]" 1
584 1 84 GLU H 1 85 LYS H . 2.500 3.750 2.713 2.342 3.313 0.158 16 0 "[ . 1 . 2]" 1
585 1 84 GLU H 1 86 VAL H . 4.790 7.180 5.837 4.652 6.826 0.138 19 0 "[ . 1 . 2]" 1
586 1 84 GLU QB 1 85 LYS QG . . 4.820 3.173 2.603 3.713 . 0 0 "[ . 1 . 2]" 1
587 1 85 LYS HB2 1 85 LYS HE2 . . 5.560 4.372 2.993 4.984 . 0 0 "[ . 1 . 2]" 1
588 1 85 LYS HB2 1 85 LYS HE3 . . 5.560 4.360 3.247 4.739 . 0 0 "[ . 1 . 2]" 1
589 1 85 LYS HB3 1 85 LYS HE2 . . 5.560 3.894 2.232 4.773 . 0 0 "[ . 1 . 2]" 1
590 1 85 LYS HB3 1 85 LYS HE3 . . 5.560 4.124 2.260 5.435 . 0 0 "[ . 1 . 2]" 1
591 1 85 LYS H 1 85 LYS QG . 2.260 5.540 2.819 2.559 3.447 . 0 0 "[ . 1 . 2]" 1
592 1 85 LYS QB 1 85 LYS QE . . 4.450 3.181 2.140 3.763 . 0 0 "[ . 1 . 2]" 1
593 1 85 LYS QB 1 86 VAL H . 2.970 4.100 3.345 2.763 3.876 0.207 13 0 "[ . 1 . 2]" 1
594 1 86 VAL HA 1 86 VAL HB . . 2.740 2.271 2.221 2.345 . 0 0 "[ . 1 . 2]" 1
595 1 86 VAL HB 1 87 ASP H . . 6.260 4.408 4.284 4.497 . 0 0 "[ . 1 . 2]" 1
596 1 86 VAL H 1 87 ASP H . . 7.570 4.109 3.906 4.218 . 0 0 "[ . 1 . 2]" 1
597 1 87 ASP HA 1 87 ASP HB3 . . 3.030 3.036 3.025 3.046 0.016 3 0 "[ . 1 . 2]" 1
598 1 87 ASP H 1 87 ASP HB2 . . 2.950 2.770 2.662 2.844 . 0 0 "[ . 1 . 2]" 1
599 1 87 ASP H 1 87 ASP HB3 . 2.060 3.090 2.385 2.294 2.476 . 0 0 "[ . 1 . 2]" 1
600 1 87 ASP H 1 88 TYR H . . 8.760 3.846 3.674 4.067 . 0 0 "[ . 1 . 2]" 1
601 1 88 TYR HA 1 88 TYR HB2 . . 2.560 2.302 2.207 2.415 . 0 0 "[ . 1 . 2]" 1
602 1 88 TYR HA 1 88 TYR HB3 . . 2.690 2.580 2.461 2.687 . 0 0 "[ . 1 . 2]" 1
603 1 88 TYR HA 1 89 SER H . . 2.390 2.363 2.238 2.443 0.053 4 0 "[ . 1 . 2]" 1
604 1 88 TYR H 1 89 SER H . . 7.200 4.634 4.583 4.665 . 0 0 "[ . 1 . 2]" 1
605 1 88 TYR QB 1 89 SER H . . 4.020 2.562 2.313 2.897 . 0 0 "[ . 1 . 2]" 1
606 1 89 SER HA 1 90 PHE H . . 2.250 2.157 2.073 2.270 0.020 7 0 "[ . 1 . 2]" 1
607 1 89 SER H 1 90 PHE H . 3.260 4.890 3.959 3.311 4.311 . 0 0 "[ . 1 . 2]" 1
608 1 89 SER QB 1 90 PHE H . . 4.010 3.486 2.976 3.824 . 0 0 "[ . 1 . 2]" 1
609 1 90 PHE HA 1 90 PHE HB3 . . 2.970 2.903 2.411 3.041 0.071 20 0 "[ . 1 . 2]" 1
610 1 90 PHE HB2 1 91 SER H . 3.480 5.230 3.880 2.799 4.372 0.681 15 1 "[ . 1 + 2]" 1
611 1 90 PHE HB3 1 91 SER H . . 6.000 4.399 4.054 4.625 . 0 0 "[ . 1 . 2]" 1
612 1 90 PHE H 1 90 PHE HB2 . . 3.200 3.037 2.567 3.510 0.310 7 0 "[ . 1 . 2]" 1
613 1 90 PHE H 1 90 PHE HB3 . . 2.970 2.165 2.030 2.478 . 0 0 "[ . 1 . 2]" 1
614 1 90 PHE H 1 91 SER H . 3.700 5.540 4.562 4.471 4.686 . 0 0 "[ . 1 . 2]" 1
615 1 91 SER H 1 91 SER HA . . 2.880 2.945 2.745 2.985 0.105 5 0 "[ . 1 . 2]" 1
616 1 91 SER H 1 92 GLU H . . 7.200 4.371 4.190 4.457 . 0 0 "[ . 1 . 2]" 1
617 1 92 GLU HA 1 92 GLU QB . . 2.710 2.239 2.134 2.456 . 0 0 "[ . 1 . 2]" 1
618 1 92 GLU H 1 92 GLU HA . . 2.940 2.947 2.907 2.980 0.040 9 0 "[ . 1 . 2]" 1
619 1 92 GLU H 1 92 GLU HG2 . 2.470 4.060 3.485 2.456 4.300 0.240 14 0 "[ . 1 . 2]" 1
620 1 92 GLU H 1 92 GLU HG3 . 2.470 4.060 3.723 2.272 4.355 0.295 16 0 "[ . 1 . 2]" 1
621 1 92 GLU H 1 92 GLU QB . . 3.550 2.551 2.001 3.154 . 0 0 "[ . 1 . 2]" 1
622 1 92 GLU H 1 92 GLU QG . 2.460 3.770 3.063 2.250 3.689 0.210 7 0 "[ . 1 . 2]" 1
623 1 92 GLU QB 1 92 GLU QG . . 2.370 2.022 1.953 2.111 . 0 0 "[ . 1 . 2]" 1
624 1 92 GLU QB 1 93 TYR H . . 4.400 2.969 2.627 3.972 . 0 0 "[ . 1 . 2]" 1
625 1 92 GLU QB 1 94 LYS H . . 7.180 5.728 4.664 6.204 . 0 0 "[ . 1 . 2]" 1
626 1 93 TYR HA 1 94 LYS H . . 2.480 2.178 2.084 2.364 . 0 0 "[ . 1 . 2]" 1
627 1 93 TYR H 1 93 TYR HB3 . . 2.700 2.322 2.113 2.413 . 0 0 "[ . 1 . 2]" 1
628 1 93 TYR H 1 93 TYR QB . . 2.600 2.262 2.089 2.372 . 0 0 "[ . 1 . 2]" 1
629 1 94 LYS HA 1 94 LYS QB . . 2.580 2.330 2.098 2.409 . 0 0 "[ . 1 . 2]" 1
630 1 94 LYS HA 1 94 LYS QD . . 3.990 2.605 2.127 3.737 . 0 0 "[ . 1 . 2]" 1
631 1 94 LYS HA 1 94 LYS QG . . 3.650 2.932 2.241 3.457 . 0 0 "[ . 1 . 2]" 1
632 1 94 LYS HB2 1 95 GLY H . 2.640 3.980 3.776 3.567 3.924 . 0 0 "[ . 1 . 2]" 1
633 1 94 LYS HB3 1 95 GLY H . . 3.980 2.476 2.215 4.105 0.125 4 0 "[ . 1 . 2]" 1
634 1 94 LYS H 1 94 LYS QD . 2.940 6.560 4.412 2.082 4.920 0.858 4 1 "[ +. 1 . 2]" 1
635 1 94 LYS H 1 94 LYS QG . 2.070 5.260 3.886 2.174 4.086 . 0 0 "[ . 1 . 2]" 1
636 1 94 LYS H 1 95 GLY H . . 4.070 2.405 2.254 2.553 . 0 0 "[ . 1 . 2]" 1
637 1 94 LYS QG 1 95 GLY QA . . 4.780 3.536 3.316 3.977 . 0 0 "[ . 1 . 2]" 1
638 1 95 GLY H 1 96 GLU H . 2.820 4.220 4.112 2.428 4.313 0.392 6 0 "[ . 1 . 2]" 1
639 1 96 GLU HA 1 96 GLU QG . . 3.630 3.376 3.363 3.394 . 0 0 "[ . 1 . 2]" 1
640 1 96 GLU H 1 96 GLU HB2 . 2.030 4.010 3.625 3.592 3.659 . 0 0 "[ . 1 . 2]" 1
641 1 96 GLU H 1 96 GLU HB3 . 2.030 4.010 2.874 2.653 3.001 . 0 0 "[ . 1 . 2]" 1
642 1 96 GLU H 1 96 GLU QB . 2.220 3.500 2.768 2.591 2.864 . 0 0 "[ . 1 . 2]" 1
643 1 96 GLU H 1 96 GLU QG . . 5.040 1.988 1.906 2.045 0.024 16 0 "[ . 1 . 2]" 1
644 1 96 GLU H 1 97 PHE H . 2.670 4.080 4.129 2.554 4.487 0.407 4 0 "[ . 1 . 2]" 1
645 1 97 PHE HA 1 97 PHE HB2 . . 3.010 3.033 3.014 3.045 0.035 12 0 "[ . 1 . 2]" 1
646 1 97 PHE H 1 97 PHE HB2 . . 3.240 2.301 2.218 2.488 . 0 0 "[ . 1 . 2]" 1
647 1 97 PHE H 1 97 PHE HB3 . 2.040 3.370 3.528 3.496 3.571 0.201 19 0 "[ . 1 . 2]" 1
648 1 97 PHE H 1 99 ASP H . 4.450 6.680 5.659 4.782 6.757 0.077 16 0 "[ . 1 . 2]" 1
649 1 98 GLU H 1 98 GLU HG2 . 2.070 3.160 2.693 1.977 3.311 0.151 16 0 "[ . 1 . 2]" 1
650 1 98 GLU H 1 98 GLU HG3 . 2.070 3.160 2.660 2.030 3.402 0.242 9 0 "[ . 1 . 2]" 1
651 1 98 GLU H 1 98 GLU QB . . 3.890 2.764 2.264 3.415 . 0 0 "[ . 1 . 2]" 1
652 1 98 GLU H 1 99 ASP H . . 7.200 3.903 2.440 4.608 . 0 0 "[ . 1 . 2]" 1
653 1 99 ASP HA 1 100 PHE H . . 2.660 2.558 2.183 2.836 0.176 2 0 "[ . 1 . 2]" 1
654 1 99 ASP HA 1 99 ASP QB . . 2.680 2.337 2.295 2.467 . 0 0 "[ . 1 . 2]" 1
655 1 99 ASP H 1 100 PHE H . . 7.200 4.210 2.945 4.630 . 0 0 "[ . 1 . 2]" 1
656 1 99 ASP H 1 99 ASP QB . . 3.840 3.314 3.050 3.521 . 0 0 "[ . 1 . 2]" 1
657 1 100 PHE HA 1 100 PHE HB2 . . 2.890 2.506 2.429 2.606 . 0 0 "[ . 1 . 2]" 1
658 1 100 PHE HA 1 100 PHE HB3 . . 3.050 3.028 3.015 3.043 . 0 0 "[ . 1 . 2]" 1
659 1 100 PHE HA 1 101 GLU H . . 2.400 2.308 2.230 2.402 0.002 12 0 "[ . 1 . 2]" 1
660 1 100 PHE HB2 1 101 GLU H . 3.460 5.190 4.625 4.561 4.679 . 0 0 "[ . 1 . 2]" 1
661 1 100 PHE HB3 1 101 GLU H . 3.000 6.000 4.491 4.353 4.582 . 0 0 "[ . 1 . 2]" 1
662 1 100 PHE H 1 100 PHE HZ . 5.770 8.660 8.093 7.884 8.315 . 0 0 "[ . 1 . 2]" 1
663 1 101 GLU HA 1 101 GLU HG2 . . 3.170 3.141 3.060 3.188 0.018 13 0 "[ . 1 . 2]" 1
664 1 101 GLU HA 1 101 GLU HG3 . . 2.940 2.369 2.304 2.542 . 0 0 "[ . 1 . 2]" 1
665 1 101 GLU HA 1 101 GLU QG . . 2.710 2.303 2.245 2.443 . 0 0 "[ . 1 . 2]" 1
666 1 101 GLU HA 1 102 THR MG . 2.470 3.800 2.982 2.805 3.109 . 0 0 "[ . 1 . 2]" 1
667 1 101 GLU H 1 101 GLU QG . . 4.480 4.044 3.986 4.075 . 0 0 "[ . 1 . 2]" 1
668 1 101 GLU QG 1 102 THR MG . . 4.370 3.303 3.188 3.413 . 0 0 "[ . 1 . 2]" 1
669 1 102 THR HA 1 102 THR HB . . 2.430 2.215 2.128 2.291 . 0 0 "[ . 1 . 2]" 1
670 1 102 THR HA 1 102 THR MG . . 3.430 2.649 2.562 2.882 . 0 0 "[ . 1 . 2]" 1
671 1 102 THR HA 1 103 TYR H . . 2.370 2.234 2.116 2.375 0.005 7 0 "[ . 1 . 2]" 1
672 1 102 THR HB 1 103 TYR H . . 6.260 3.197 2.912 3.607 . 0 0 "[ . 1 . 2]" 1
673 1 102 THR H 1 102 THR MG . 2.480 3.710 2.014 1.886 2.142 0.594 10 5 "[* . +* .- *]" 1
674 1 103 TYR HA 1 103 TYR QB . . 2.750 2.380 2.194 2.571 . 0 0 "[ . 1 . 2]" 1
675 1 103 TYR H 1 103 TYR QB . . 3.580 2.263 1.997 2.515 . 0 0 "[ . 1 . 2]" 1
676 1 19 TYR HA 1 59 VAL MG1 . . 8.280 3.488 2.337 5.073 . 0 0 "[ . 1 . 2]" 1
677 1 19 TYR HA 1 59 VAL MG2 . . 8.280 4.022 2.818 5.227 . 0 0 "[ . 1 . 2]" 1
678 1 19 TYR QD 1 59 VAL HB . 2.890 7.270 4.574 2.299 5.858 0.591 9 1 "[ . +1 . 2]" 1
679 1 19 TYR QD 1 59 VAL MG1 . . 9.420 3.346 2.073 4.710 . 0 0 "[ . 1 . 2]" 1
680 1 19 TYR QD 1 59 VAL MG2 . . 9.420 3.518 2.165 5.316 . 0 0 "[ . 1 . 2]" 1
681 1 19 TYR QE 1 20 ALA MB . 2.540 8.190 5.704 5.278 6.140 . 0 0 "[ . 1 . 2]" 1
682 1 23 TYR HA 1 26 VAL MG1 . 3.130 6.400 5.073 4.395 5.271 . 0 0 "[ . 1 . 2]" 1
683 1 23 TYR HA 1 26 VAL MG2 . 3.130 6.400 3.639 3.083 4.434 0.047 14 0 "[ . 1 . 2]" 1
684 1 24 GLY HA2 1 26 VAL MG1 . . 8.950 4.544 3.891 5.138 . 0 0 "[ . 1 . 2]" 1
685 1 24 GLY HA2 1 26 VAL MG2 . . 8.950 4.393 4.037 4.990 . 0 0 "[ . 1 . 2]" 1
686 1 24 GLY H 1 26 VAL MG1 . 2.430 5.910 4.589 3.980 4.867 . 0 0 "[ . 1 . 2]" 1
687 1 24 GLY H 1 26 VAL MG2 . 2.430 5.910 3.395 2.939 4.185 . 0 0 "[ . 1 . 2]" 1
688 1 26 VAL MG1 1 81 ALA MB . 2.070 7.820 2.261 1.988 2.977 0.082 16 0 "[ . 1 . 2]" 1
689 1 26 VAL MG2 1 81 ALA MB . 2.070 7.820 4.101 3.578 4.493 . 0 0 "[ . 1 . 2]" 1
690 1 34 PHE HA 1 34 PHE QE . . 5.920 4.505 4.451 4.572 . 0 0 "[ . 1 . 2]" 1
691 1 34 PHE H 1 34 PHE QE . 3.850 8.150 6.234 6.183 6.293 . 0 0 "[ . 1 . 2]" 1
692 1 34 PHE QD 1 73 ARG QB . . 8.240 6.232 5.746 6.674 . 0 0 "[ . 1 . 2]" 1
693 1 34 PHE QE 1 73 ARG HB2 . 3.160 8.080 5.609 4.914 6.253 . 0 0 "[ . 1 . 2]" 1
694 1 34 PHE QE 1 73 ARG HB3 . 3.160 8.080 6.564 6.158 7.020 . 0 0 "[ . 1 . 2]" 1
695 1 34 PHE QE 1 73 ARG HD2 . 3.520 9.570 3.608 3.208 4.089 0.312 3 0 "[ . 1 . 2]" 1
696 1 34 PHE QE 1 73 ARG HD3 . 3.500 9.570 3.121 2.651 3.952 0.849 1 9 "[+* .* * 1 * .-** *]" 1
697 1 34 PHE QE 1 73 ARG QB . 3.390 8.380 5.306 4.729 5.834 . 0 0 "[ . 1 . 2]" 1
698 1 39 ALA MB 1 100 PHE QD . . 9.150 2.280 2.084 2.815 . 0 0 "[ . 1 . 2]" 1
699 1 39 ALA MB 1 100 PHE QE . . 9.150 2.513 2.087 3.367 . 0 0 "[ . 1 . 2]" 1
700 1 42 LEU HA 1 42 LEU MD1 . . 4.340 3.816 3.748 3.844 . 0 0 "[ . 1 . 2]" 1
701 1 44 ILE QG 1 100 PHE QE . 3.610 9.630 4.963 4.279 6.387 . 0 0 "[ . 1 . 2]" 1
702 1 47 TYR H 1 100 PHE QE . 3.130 7.010 3.023 2.475 3.506 0.655 15 3 "[ - * 1 + 2]" 1
703 1 48 ALA MB 1 100 PHE QE . . 7.860 2.419 2.155 3.389 . 0 0 "[ . 1 . 2]" 1
704 1 49 LYS H 1 103 TYR QD . 3.540 7.680 5.394 4.418 6.167 . 0 0 "[ . 1 . 2]" 1
705 1 16 LYS QB 1 63 TYR QD . . 8.820 6.621 5.558 7.129 . 0 0 "[ . 1 . 2]" 1
706 1 67 LEU HG 1 90 PHE QD . 4.680 8.120 6.183 4.387 7.291 0.293 7 0 "[ . 1 . 2]" 1
707 1 71 LEU MD1 1 88 TYR QE . . 10.330 3.457 2.929 4.624 . 0 0 "[ . 1 . 2]" 1
708 1 71 LEU MD2 1 88 TYR QE . . 10.330 3.934 2.918 4.793 . 0 0 "[ . 1 . 2]" 1
709 1 23 TYR QE 1 86 VAL HA . . 7.610 5.100 4.583 5.950 . 0 0 "[ . 1 . 2]" 1
710 1 23 TYR QE 1 86 VAL HB . . 8.380 7.145 6.744 7.724 . 0 0 "[ . 1 . 2]" 1
711 1 90 PHE QD 1 91 SER H . 2.800 8.890 3.287 2.625 4.593 0.175 19 0 "[ . 1 . 2]" 1
712 1 100 PHE QE 1 102 THR MG . . 7.010 4.232 3.024 4.903 . 0 0 "[ . 1 . 2]" 1
713 1 14 MET HB2 1 63 TYR QD . 2.140 6.240 4.954 2.858 5.938 . 0 0 "[ . 1 . 2]" 1
714 1 14 MET HB3 1 63 TYR QD . . 6.240 4.359 2.655 5.822 . 0 0 "[ . 1 . 2]" 1
715 1 14 MET QB 1 63 TYR QD . . 6.940 3.957 2.618 5.085 . 0 0 "[ . 1 . 2]" 1
716 1 15 LEU HA 1 93 TYR QD . . 8.920 5.754 5.256 6.305 . 0 0 "[ . 1 . 2]" 1
717 1 15 LEU H 1 15 LEU MD1 . 2.590 5.560 4.000 2.718 4.756 . 0 0 "[ . 1 . 2]" 1
718 1 15 LEU H 1 15 LEU MD2 . 2.590 5.500 3.535 1.910 4.559 0.680 4 2 "[ +.- 1 . 2]" 1
719 1 15 LEU MD1 1 63 TYR QE . 2.450 9.470 4.386 2.650 5.095 . 0 0 "[ . 1 . 2]" 1
720 1 15 LEU MD1 1 93 TYR QD . 2.500 8.200 4.144 2.233 5.529 0.267 20 0 "[ . 1 . 2]" 1
721 1 15 LEU MD1 1 93 TYR QE . 2.420 7.840 5.018 3.536 5.909 . 0 0 "[ . 1 . 2]" 1
722 1 15 LEU MD2 1 63 TYR QE . 2.450 9.470 2.645 2.303 5.042 0.147 4 0 "[ . 1 . 2]" 1
723 1 15 LEU MD2 1 93 TYR QD . 2.500 8.200 5.312 3.875 5.997 . 0 0 "[ . 1 . 2]" 1
724 1 15 LEU MD2 1 93 TYR QE . 2.420 7.840 5.509 4.513 6.065 . 0 0 "[ . 1 . 2]" 1
725 1 15 LEU QD 1 63 TYR QD . . 10.590 3.023 2.526 3.293 . 0 0 "[ . 1 . 2]" 1
726 1 15 LEU QD 1 63 TYR QE . 2.660 9.460 2.509 2.296 2.965 0.364 4 0 "[ . 1 . 2]" 1
727 1 15 LEU QD 1 93 TYR QD . 2.260 8.770 3.931 2.225 4.698 0.035 20 0 "[ . 1 . 2]" 1
728 1 15 LEU QD 1 93 TYR QE . 2.110 8.490 4.585 3.490 5.250 . 0 0 "[ . 1 . 2]" 1
729 1 16 LYS H 1 93 TYR QD . . 9.340 5.189 4.420 5.891 . 0 0 "[ . 1 . 2]" 1
730 1 18 MET HA 1 90 PHE QD . 2.240 6.280 4.487 3.679 5.147 . 0 0 "[ . 1 . 2]" 1
731 1 18 MET ME 1 70 LEU MD1 . 2.260 5.970 2.816 1.924 4.194 0.336 14 0 "[ . 1 . 2]" 1
732 1 18 MET ME 1 70 LEU MD2 . 2.260 5.830 3.472 2.516 4.101 . 0 0 "[ . 1 . 2]" 1
733 1 19 TYR QD 1 20 ALA HA . 2.400 6.590 4.404 3.294 4.990 . 0 0 "[ . 1 . 2]" 1
734 1 19 TYR QD 1 20 ALA H . 2.240 8.490 3.425 2.697 4.156 . 0 0 "[ . 1 . 2]" 1
735 1 19 TYR QD 1 20 ALA MB . . 9.950 4.828 4.469 5.287 . 0 0 "[ . 1 . 2]" 1
736 1 19 TYR QD 1 21 ARG QB . . 7.450 4.150 3.143 5.499 . 0 0 "[ . 1 . 2]" 1
737 1 19 TYR QE 1 20 ALA HA . 2.160 6.150 5.269 4.381 5.850 . 0 0 "[ . 1 . 2]" 1
738 1 19 TYR QE 1 21 ARG HB2 . . 5.580 3.083 2.222 4.882 . 0 0 "[ . 1 . 2]" 1
739 1 19 TYR QE 1 21 ARG HB3 . . 5.580 4.364 3.193 5.322 . 0 0 "[ . 1 . 2]" 1
740 1 19 TYR QE 1 21 ARG H . . 12.010 4.312 3.138 4.964 . 0 0 "[ . 1 . 2]" 1
741 1 19 TYR QE 1 21 ARG QB . . 6.190 3.001 2.201 4.500 . 0 0 "[ . 1 . 2]" 1
742 1 19 TYR QE 1 21 ARG QG . 2.870 7.620 3.177 2.332 4.478 0.538 7 1 "[ . + 1 . 2]" 1
743 1 19 TYR QE 1 89 SER H . . 9.330 5.274 4.705 5.817 . 0 0 "[ . 1 . 2]" 1
744 1 21 ARG QB 1 23 TYR QD . . 7.120 3.807 3.155 4.466 . 0 0 "[ . 1 . 2]" 1
745 1 22 VAL HA 1 23 TYR QD . 2.640 7.030 3.900 3.169 4.735 . 0 0 "[ . 1 . 2]" 1
746 1 22 VAL HA 1 86 VAL MG1 . . 8.780 4.418 4.197 4.672 . 0 0 "[ . 1 . 2]" 1
747 1 22 VAL HA 1 86 VAL MG2 . . 7.080 2.758 2.326 3.208 . 0 0 "[ . 1 . 2]" 1
748 1 23 TYR QD 1 24 GLY H . 3.780 7.810 3.931 3.474 4.443 0.306 16 0 "[ . 1 . 2]" 1
749 1 23 TYR QE 1 86 VAL MG2 . . 8.560 5.816 5.369 6.494 . 0 0 "[ . 1 . 2]" 1
750 1 24 GLY HA3 1 26 VAL MG2 . . 8.950 3.433 3.049 4.172 . 0 0 "[ . 1 . 2]" 1
751 1 26 VAL HA 1 31 PHE QD . 3.390 7.210 4.984 4.022 6.250 . 0 0 "[ . 1 . 2]" 1
752 1 26 VAL HB 1 31 PHE QD . 2.410 5.730 3.377 2.451 4.538 . 0 0 "[ . 1 . 2]" 1
753 1 26 VAL MG1 1 31 PHE QD . 2.560 8.450 3.972 2.245 5.045 0.315 17 0 "[ . 1 . 2]" 1
754 1 26 VAL MG2 1 31 PHE QD . 2.560 8.450 3.826 2.632 5.195 . 0 0 "[ . 1 . 2]" 1
755 1 29 VAL MG1 1 81 ALA HA . 2.300 4.490 3.481 2.523 3.742 . 0 0 "[ . 1 . 2]" 1
756 1 29 VAL MG2 1 81 ALA HA . 2.300 4.490 3.536 2.878 3.757 . 0 0 "[ . 1 . 2]" 1
757 1 31 PHE HA 1 34 PHE QD . 3.640 7.580 3.602 2.860 4.046 0.780 2 2 "[ + . 1 . -2]" 1
758 1 31 PHE QD 1 35 VAL MG1 . . 10.270 4.774 3.059 7.433 . 0 0 "[ . 1 . 2]" 1
759 1 34 PHE QD 1 35 VAL H . 3.570 7.470 4.211 4.016 4.333 . 0 0 "[ . 1 . 2]" 1
760 1 34 PHE QD 1 35 VAL MG2 . . 11.450 4.679 3.981 5.592 . 0 0 "[ . 1 . 2]" 1
761 1 34 PHE QD 1 38 HIS HD2 . 4.590 9.010 3.208 2.674 5.376 1.916 6 18 "[****-+** * *********]" 1
762 1 34 PHE QD 1 73 ARG HA . . 8.120 7.198 6.738 7.517 . 0 0 "[ . 1 . 2]" 1
763 1 34 PHE QD 1 74 ILE HA . 2.250 6.490 5.557 5.302 5.801 . 0 0 "[ . 1 . 2]" 1
764 1 34 PHE QD 1 77 GLY H . 5.500 10.380 7.003 6.441 7.480 . 0 0 "[ . 1 . 2]" 1
765 1 34 PHE QD 1 78 PRO HA . 2.960 7.620 5.663 4.904 6.082 . 0 0 "[ . 1 . 2]" 1
766 1 34 PHE QE 1 35 VAL H . 4.480 8.850 6.016 5.761 6.256 . 0 0 "[ . 1 . 2]" 1
767 1 34 PHE QE 1 35 VAL MG2 . . 9.070 5.820 5.176 6.863 . 0 0 "[ . 1 . 2]" 1
768 1 34 PHE QE 1 38 HIS HD2 . 4.390 9.000 3.236 2.830 5.069 1.560 15 19 "[********-* ***+*****]" 1
769 1 34 PHE QE 1 73 ARG HA . 3.100 6.770 5.769 5.257 6.120 . 0 0 "[ . 1 . 2]" 1
770 1 34 PHE QE 1 74 ILE HA . . 6.000 4.932 4.655 5.115 . 0 0 "[ . 1 . 2]" 1
771 1 34 PHE QE 1 77 GLY H . 3.460 7.310 5.308 4.758 5.818 . 0 0 "[ . 1 . 2]" 1
772 1 34 PHE QE 1 78 PRO HA . 2.690 7.120 4.739 3.988 5.205 . 0 0 "[ . 1 . 2]" 1
773 1 35 VAL MG1 1 36 GLN H . . 8.400 3.493 2.427 4.201 . 0 0 "[ . 1 . 2]" 1
774 1 35 VAL MG2 1 36 GLN H . . 9.330 3.865 2.632 4.153 . 0 0 "[ . 1 . 2]" 1
775 1 39 ALA HA 1 70 LEU MD1 . 2.090 6.000 4.022 3.302 4.914 . 0 0 "[ . 1 . 2]" 1
776 1 39 ALA HA 1 70 LEU MD2 . 2.090 6.000 3.115 2.555 3.925 . 0 0 "[ . 1 . 2]" 1
777 1 39 ALA H 1 70 LEU MD1 . 2.660 6.370 4.192 2.947 5.149 . 0 0 "[ . 1 . 2]" 1
778 1 39 ALA H 1 70 LEU MD2 . 2.660 6.370 3.288 2.366 4.839 0.294 11 0 "[ . 1 . 2]" 1
779 1 39 ALA MB 1 70 LEU MD1 . 2.150 5.450 3.406 2.862 3.687 . 0 0 "[ . 1 . 2]" 1
780 1 39 ALA MB 1 70 LEU MD2 . 2.150 5.450 2.761 2.207 3.427 . 0 0 "[ . 1 . 2]" 1
781 1 42 LEU HA 1 42 LEU MD2 . . 4.340 2.134 2.097 2.165 . 0 0 "[ . 1 . 2]" 1
782 1 46 GLY H 1 100 PHE QD . 4.070 8.230 3.964 3.442 4.299 0.628 20 1 "[ . 1 . +]" 1
783 1 47 TYR QB 1 100 PHE QE . 2.040 9.110 4.786 4.555 5.728 . 0 0 "[ . 1 . 2]" 1
784 1 47 TYR QD 1 48 ALA HA . . 5.760 4.480 3.940 5.287 . 0 0 "[ . 1 . 2]" 1
785 1 47 TYR QD 1 48 ALA H . 2.940 7.410 3.069 2.379 3.637 0.561 18 1 "[ . 1 . + 2]" 1
786 1 47 TYR QD 1 48 ALA MB . 2.710 8.190 4.388 3.836 4.860 . 0 0 "[ . 1 . 2]" 1
787 1 47 TYR QD 1 49 LYS H . 3.780 7.820 3.654 2.949 4.636 0.831 19 4 "[ . -*1 . * +2]" 1
788 1 47 TYR QD 1 59 VAL QG . 2.230 11.500 4.414 3.609 5.545 . 0 0 "[ . 1 . 2]" 1
789 1 48 ALA HA 1 58 VAL MG1 . 2.320 5.700 3.132 2.519 3.880 . 0 0 "[ . 1 . 2]" 1
790 1 48 ALA HA 1 58 VAL MG2 . 2.320 5.700 2.614 2.358 2.969 . 0 0 "[ . 1 . 2]" 1
791 1 48 ALA H 1 103 TYR QD . 5.170 9.890 6.037 4.261 6.849 0.909 18 2 "[ - . 1 . + 2]" 1
792 1 49 LYS QD 1 103 TYR QD . . 8.450 4.075 2.942 4.773 . 0 0 "[ . 1 . 2]" 1
793 1 49 LYS QE 1 103 TYR QD . . 8.810 4.387 2.770 5.713 . 0 0 "[ . 1 . 2]" 1
794 1 49 LYS QG 1 103 TYR QD . . 7.610 2.738 2.113 3.350 . 0 0 "[ . 1 . 2]" 1
795 1 59 VAL MG1 1 97 PHE HZ . . 7.990 3.487 2.400 4.980 . 0 0 "[ . 1 . 2]" 1
796 1 59 VAL MG2 1 97 PHE HZ . . 7.990 3.373 2.452 4.601 . 0 0 "[ . 1 . 2]" 1
797 1 59 VAL QG 1 97 PHE QD . . 10.880 3.264 2.226 3.857 . 0 0 "[ . 1 . 2]" 1
798 1 59 VAL QG 1 97 PHE QE . . 10.180 2.494 1.952 2.828 . 0 0 "[ . 1 . 2]" 1
799 1 61 GLU HG2 1 97 PHE QD . . 8.120 4.646 3.535 5.824 . 0 0 "[ . 1 . 2]" 1
800 1 61 GLU HG2 1 97 PHE QE . . 8.120 5.312 4.451 6.876 . 0 0 "[ . 1 . 2]" 1
801 1 61 GLU HG3 1 97 PHE QD . 3.840 8.120 4.101 2.930 5.375 0.910 2 3 "[ + -. 1 . *2]" 1
802 1 61 GLU HG3 1 97 PHE QE . . 8.120 5.114 3.700 6.774 . 0 0 "[ . 1 . 2]" 1
803 1 67 LEU HA 1 67 LEU MD1 . . 3.990 2.114 2.070 2.216 . 0 0 "[ . 1 . 2]" 1
804 1 67 LEU HA 1 67 LEU MD2 . . 4.150 3.759 3.659 3.829 . 0 0 "[ . 1 . 2]" 1
805 1 67 LEU MD1 1 90 PHE QD . 2.480 8.040 4.679 3.088 5.515 . 0 0 "[ . 1 . 2]" 1
806 1 67 LEU MD2 1 90 PHE QD . 2.480 8.040 3.602 2.298 4.695 0.182 7 0 "[ . 1 . 2]" 1
807 1 68 SER HA 1 71 LEU MD1 . 2.750 6.830 4.655 3.561 5.009 . 0 0 "[ . 1 . 2]" 1
808 1 68 SER HA 1 71 LEU MD2 . 2.750 6.830 4.302 3.852 4.924 . 0 0 "[ . 1 . 2]" 1
809 1 70 LEU H 1 70 LEU MD1 . 2.770 5.320 4.238 4.050 4.358 . 0 0 "[ . 1 . 2]" 1
810 1 70 LEU H 1 70 LEU MD2 . 2.770 5.320 4.200 4.104 4.276 . 0 0 "[ . 1 . 2]" 1
811 1 71 LEU HA 1 71 LEU MD1 . 2.160 6.690 2.441 2.155 3.303 0.005 16 0 "[ . 1 . 2]" 1
812 1 71 LEU HA 1 71 LEU MD2 . 2.160 6.690 2.170 2.096 2.246 0.064 20 0 "[ . 1 . 2]" 1
813 1 71 LEU H 1 71 LEU MD1 . 3.130 5.920 4.201 4.000 4.311 . 0 0 "[ . 1 . 2]" 1
814 1 71 LEU H 1 71 LEU MD2 . 3.130 5.920 3.015 2.202 4.057 0.928 18 5 "[ .* 1 - .* + *]" 1
815 1 71 LEU MD1 1 88 TYR QD . 2.360 7.590 3.734 2.869 5.130 . 0 0 "[ . 1 . 2]" 1
816 1 71 LEU MD2 1 88 TYR QD . 2.360 7.590 3.975 3.018 4.734 . 0 0 "[ . 1 . 2]" 1
817 1 86 VAL MG1 1 88 TYR QD . . 12.430 4.264 3.362 5.823 . 0 0 "[ . 1 . 2]" 1
818 1 86 VAL MG2 1 87 ASP H . . 9.330 3.426 3.205 3.735 . 0 0 "[ . 1 . 2]" 1
819 1 86 VAL MG2 1 88 TYR HA . . 9.330 3.847 3.383 4.292 . 0 0 "[ . 1 . 2]" 1
820 1 86 VAL MG2 1 88 TYR HB2 . . 7.100 3.892 3.399 4.542 . 0 0 "[ . 1 . 2]" 1
821 1 86 VAL MG2 1 88 TYR HB3 . . 7.100 2.593 2.156 3.374 . 0 0 "[ . 1 . 2]" 1
822 1 86 VAL MG2 1 88 TYR QB . . 7.440 2.554 2.140 3.267 . 0 0 "[ . 1 . 2]" 1
823 1 86 VAL MG2 1 88 TYR QE . . 11.460 5.349 4.509 6.509 . 0 0 "[ . 1 . 2]" 1
824 1 87 ASP HA 1 88 TYR QD . 2.710 7.170 4.243 3.940 4.758 . 0 0 "[ . 1 . 2]" 1
825 1 87 ASP H 1 88 TYR QD . 4.360 8.680 5.808 5.270 6.269 . 0 0 "[ . 1 . 2]" 1
826 1 88 TYR QD 1 89 SER H . . 9.340 2.995 2.712 3.329 . 0 0 "[ . 1 . 2]" 1
827 1 88 TYR QD 1 90 PHE HB2 . 2.790 6.320 4.213 3.371 4.755 . 0 0 "[ . 1 . 2]" 1
828 1 88 TYR QD 1 90 PHE HB3 . 2.560 5.990 4.416 2.574 5.578 . 0 0 "[ . 1 . 2]" 1
829 1 88 TYR QD 1 90 PHE QD . 3.840 9.790 5.414 3.650 6.035 0.190 7 0 "[ . 1 . 2]" 1
830 1 88 TYR QE 1 90 PHE QD . 3.650 9.510 4.453 3.274 5.313 0.376 7 0 "[ . 1 . 2]" 1
831 1 92 GLU QG 1 93 TYR QD . . 7.060 4.732 3.969 5.265 . 0 0 "[ . 1 . 2]" 1
832 1 92 GLU QG 1 93 TYR QE . . 7.420 5.647 5.130 6.121 . 0 0 "[ . 1 . 2]" 1
833 1 93 TYR QD 1 94 LYS HA . . 8.920 4.710 4.308 5.114 . 0 0 "[ . 1 . 2]" 1
834 1 93 TYR QD 1 94 LYS H . 4.080 8.710 4.061 3.537 4.542 0.543 8 1 "[ . + 1 . 2]" 1
835 1 93 TYR QE 1 95 GLY HA2 . 2.480 6.980 3.681 2.892 5.554 . 0 0 "[ . 1 . 2]" 1
836 1 93 TYR QE 1 95 GLY HA3 . 2.480 6.980 5.015 2.428 6.042 0.052 11 0 "[ . 1 . 2]" 1
837 1 93 TYR QE 1 95 GLY QA . 2.440 7.630 3.479 2.410 4.695 0.030 11 0 "[ . 1 . 2]" 1
838 1 100 PHE QD 1 101 GLU H . 3.630 7.570 3.408 2.701 4.473 0.929 1 8 "[+ *.** *1* - .* 2]" 1
839 1 100 PHE QD 1 101 GLU QG . 2.960 10.830 5.672 5.292 6.073 . 0 0 "[ . 1 . 2]" 1
840 1 102 THR HA 1 103 TYR QD . 2.260 6.340 5.267 3.920 5.905 . 0 0 "[ . 1 . 2]" 1
841 1 24 GLY QA 1 26 VAL QG . . 7.410 2.753 2.232 3.048 . 0 0 "[ . 1 . 2]" 1
842 1 24 GLY HA3 1 26 VAL MG1 . . 8.950 3.069 2.304 3.728 . 0 0 "[ . 1 . 2]" 1
843 1 26 VAL QG 1 31 PHE QD . 2.170 7.830 3.369 2.214 4.558 . 0 0 "[ . 1 . 2]" 1
844 1 26 VAL QG 1 81 ALA MB . 2.090 7.170 2.249 1.978 2.937 0.112 16 0 "[ . 1 . 2]" 1
845 1 42 LEU HA 1 42 LEU QD . . 3.970 2.123 2.087 2.154 . 0 0 "[ . 1 . 2]" 1
846 1 61 GLU QG 1 97 PHE QD . . 7.950 3.824 2.796 4.961 . 0 0 "[ . 1 . 2]" 1
847 1 15 LEU QD 1 62 GLY HA3 . . 5.640 3.919 3.642 4.178 . 0 0 "[ . 1 . 2]" 1
848 1 25 LEU H 1 26 VAL QG . . 5.220 3.316 3.031 3.553 . 0 0 "[ . 1 . 2]" 1
849 1 26 VAL QG 1 27 GLN HA . . 6.780 3.676 3.325 4.075 . 0 0 "[ . 1 . 2]" 1
850 1 26 VAL QG 1 27 GLN H . . 5.450 2.820 2.155 3.591 . 0 0 "[ . 1 . 2]" 1
851 1 26 VAL QG 1 81 ALA H . . 6.200 3.875 3.653 4.221 . 0 0 "[ . 1 . 2]" 1
852 1 26 VAL QG 1 84 GLU H . . 6.360 3.532 3.228 3.758 . 0 0 "[ . 1 . 2]" 1
853 1 11 VAL QG 1 12 PHE H . . 7.460 2.744 2.143 3.618 . 0 0 "[ . 1 . 2]" 1
854 1 15 LEU QD 1 16 LYS H . . 6.750 3.218 2.414 4.321 . 0 0 "[ . 1 . 2]" 1
855 1 15 LEU QD 1 62 GLY H . . 6.050 3.346 2.825 4.026 . 0 0 "[ . 1 . 2]" 1
856 1 15 LEU QD 1 63 TYR HA . . 6.230 4.059 3.499 4.649 . 0 0 "[ . 1 . 2]" 1
857 1 15 LEU QD 1 63 TYR HB2 . . 6.250 4.623 4.362 4.754 . 0 0 "[ . 1 . 2]" 1
858 1 15 LEU QD 1 63 TYR HB3 . 2.080 7.050 5.128 4.751 5.271 . 0 0 "[ . 1 . 2]" 1
859 1 15 LEU QD 1 63 TYR H . . 5.500 3.607 3.253 4.324 . 0 0 "[ . 1 . 2]" 1
860 1 18 MET H 1 67 LEU QD . 2.120 8.330 3.903 3.386 4.684 . 0 0 "[ . 1 . 2]" 1
861 1 22 VAL QG 1 23 TYR H . . 5.700 3.018 2.629 3.444 . 0 0 "[ . 1 . 2]" 1
862 1 22 VAL QG 1 26 VAL QG . . 6.300 2.000 1.899 2.142 . 0 0 "[ . 1 . 2]" 1
863 1 26 VAL QG 1 83 VAL HA . . 4.690 2.238 2.007 2.569 . 0 0 "[ . 1 . 2]" 1
864 1 26 VAL QG 1 83 VAL QG . . 6.380 2.391 2.197 2.621 . 0 0 "[ . 1 . 2]" 1
865 1 29 VAL QG 1 30 GLY H . . 8.360 2.891 1.854 3.653 . 0 0 "[ . 1 . 2]" 1
866 1 29 VAL QG 1 31 PHE H . . 6.540 3.481 2.409 4.729 . 0 0 "[ . 1 . 2]" 1
867 1 29 VAL QG 1 31 PHE QB . . 7.530 3.078 2.264 4.205 . 0 0 "[ . 1 . 2]" 1
868 1 41 ARG HA 1 42 LEU QD . . 6.420 4.709 4.280 4.929 . 0 0 "[ . 1 . 2]" 1
869 1 47 TYR H 1 58 VAL QG . . 5.650 3.830 3.536 3.978 . 0 0 "[ . 1 . 2]" 1
870 1 49 LYS H 1 58 VAL QG . . 7.990 3.757 3.415 4.019 . 0 0 "[ . 1 . 2]" 1
871 1 59 VAL QG 1 60 ALA HA . . 8.140 4.045 3.455 4.490 . 0 0 "[ . 1 . 2]" 1
872 1 59 VAL QG 1 60 ALA H . . 5.030 3.324 2.363 3.826 . 0 0 "[ . 1 . 2]" 1
873 1 62 GLY H 1 67 LEU QD . . 5.460 3.672 2.782 3.993 . 0 0 "[ . 1 . 2]" 1
874 1 66 ALA MB 1 67 LEU QD . . 8.560 4.730 4.527 4.863 . 0 0 "[ . 1 . 2]" 1
875 1 70 LEU QD 1 73 ARG QD . . 7.200 4.105 3.771 4.343 . 0 0 "[ . 1 . 2]" 1
876 1 71 LEU QD 1 72 GLU HA . 3.800 11.250 4.125 2.813 4.908 0.987 17 3 "[ . 1* . + -2]" 1
877 1 71 LEU QD 1 72 GLU H . . 7.600 3.718 2.932 4.017 . 0 0 "[ . 1 . 2]" 1
878 1 71 LEU QD 1 74 ILE HA . 2.410 8.010 5.904 5.783 6.012 . 0 0 "[ . 1 . 2]" 1
879 1 71 LEU QD 1 75 LYS H . 3.960 11.530 4.180 3.686 4.576 0.274 2 0 "[ . 1 . 2]" 1
880 1 83 VAL H 1 83 VAL QG . . 4.250 2.031 1.931 2.215 . 0 0 "[ . 1 . 2]" 1
881 1 83 VAL QG 1 84 GLU HA . . 5.950 4.098 3.743 4.428 . 0 0 "[ . 1 . 2]" 1
882 1 83 VAL QG 1 84 GLU H . . 5.750 2.990 2.484 3.549 . 0 0 "[ . 1 . 2]" 1
883 1 83 VAL QG 1 85 LYS H . . 5.270 3.072 2.767 3.483 . 0 0 "[ . 1 . 2]" 1
884 1 75 LYS HA 1 83 VAL QG . 2.200 8.430 5.237 4.280 5.926 . 0 0 "[ . 1 . 2]" 1
885 1 91 SER HA 1 91 SER HB2 . . 2.980 3.024 3.006 3.059 0.079 15 0 "[ . 1 . 2]" 1
886 1 91 SER HA 1 91 SER HB3 . . 2.400 2.380 2.343 2.430 0.030 15 0 "[ . 1 . 2]" 1
887 1 91 SER HB2 1 92 GLU H . . 2.980 2.998 2.603 3.134 0.154 13 0 "[ . 1 . 2]" 1
888 1 91 SER HB3 1 92 GLU H . . 2.550 2.183 2.039 2.328 . 0 0 "[ . 1 . 2]" 1
889 1 101 GLU HA 1 101 GLU QB . . 2.520 2.299 2.248 2.358 . 0 0 "[ . 1 . 2]" 1
890 1 101 GLU QB 1 102 THR H . 2.310 3.770 3.370 3.180 3.435 . 0 0 "[ . 1 . 2]" 1
891 1 101 GLU H 1 101 GLU QB . 2.070 2.900 2.375 2.322 2.433 . 0 0 "[ . 1 . 2]" 1
892 1 47 TYR QE 1 101 GLU QB . 3.940 5.680 2.463 2.152 3.192 1.788 1 20 [+**-****************] 1
893 1 48 ALA HA 1 49 LYS HB3 . 2.660 4.450 4.595 4.485 4.712 0.262 12 0 "[ . 1 . 2]" 1
894 1 49 LYS HA 1 49 LYS HB2 . . 2.630 2.324 2.162 2.471 . 0 0 "[ . 1 . 2]" 1
895 1 49 LYS HA 1 49 LYS HB3 . . 2.970 2.974 2.911 3.000 0.030 1 0 "[ . 1 . 2]" 1
896 1 49 LYS H 1 49 LYS HB2 . 2.230 3.340 2.876 2.539 3.196 . 0 0 "[ . 1 . 2]" 1
897 1 49 LYS H 1 49 LYS HB3 . 2.130 3.190 2.291 2.180 2.397 . 0 0 "[ . 1 . 2]" 1
898 1 49 LYS HB2 1 49 LYS QE . . 6.880 2.770 2.169 4.258 . 0 0 "[ . 1 . 2]" 1
899 1 49 LYS HB3 1 49 LYS QE . 2.930 5.260 2.910 2.216 3.998 0.714 4 5 "[ *+. -1 . * *2]" 1
900 1 47 TYR QD 1 49 LYS HB3 . 2.240 5.700 3.821 2.844 5.179 . 0 0 "[ . 1 . 2]" 1
901 1 47 TYR QD 1 49 LYS HB2 . 2.030 5.180 2.515 2.130 3.816 . 0 0 "[ . 1 . 2]" 1
902 1 49 LYS HB2 1 103 TYR QD . . 5.040 3.869 2.444 4.468 . 0 0 "[ . 1 . 2]" 1
903 1 49 LYS HB3 1 103 TYR QD . 2.070 5.240 4.835 3.763 5.271 0.031 2 0 "[ . 1 . 2]" 1
904 1 33 LYS HA 1 33 LYS HB2 . . 2.720 2.585 2.441 2.761 0.041 19 0 "[ . 1 . 2]" 1
905 1 33 LYS HA 1 33 LYS HB3 . . 2.950 3.025 2.974 3.059 0.109 14 0 "[ . 1 . 2]" 1
906 1 33 LYS HB2 1 34 PHE H . . 3.540 3.623 3.389 3.769 0.229 9 0 "[ . 1 . 2]" 1
907 1 33 LYS HB3 1 34 PHE H . . 3.000 2.472 2.227 2.700 . 0 0 "[ . 1 . 2]" 1
908 1 33 LYS H 1 33 LYS HB2 . . 2.740 2.316 2.058 2.519 . 0 0 "[ . 1 . 2]" 1
909 1 33 LYS H 1 33 LYS HB3 . . 3.010 2.716 2.483 3.050 0.040 8 0 "[ . 1 . 2]" 1
910 1 25 LEU HA 1 25 LEU HB3 . . 3.020 3.014 3.006 3.023 0.003 8 0 "[ . 1 . 2]" 1
911 1 25 LEU HA 1 25 LEU HB2 . . 2.410 2.544 2.471 2.565 0.155 5 0 "[ . 1 . 2]" 1
912 1 25 LEU H 1 25 LEU HB3 . . 2.790 2.619 2.537 2.668 . 0 0 "[ . 1 . 2]" 1
913 1 25 LEU H 1 25 LEU HB2 . . 2.990 2.488 2.358 2.754 . 0 0 "[ . 1 . 2]" 1
914 1 31 PHE HA 1 34 PHE QE . 3.900 7.980 5.854 5.162 6.280 . 0 0 "[ . 1 . 2]" 1
915 1 48 ALA H 1 102 THR MG . 2.870 5.330 3.801 3.456 4.335 . 0 0 "[ . 1 . 2]" 1
916 1 47 TYR HB3 1 101 GLU H . 2.670 5.020 5.215 5.065 5.329 0.309 14 0 "[ . 1 . 2]" 1
917 1 47 TYR HB2 1 101 GLU H . 2.670 4.890 4.207 3.888 4.611 . 0 0 "[ . 1 . 2]" 1
918 1 63 TYR HB3 1 66 ALA H . 2.510 3.770 3.711 3.173 3.891 0.121 9 0 "[ . 1 . 2]" 1
919 1 63 TYR HB2 1 66 ALA H . 2.130 3.360 3.119 2.680 3.428 0.068 20 0 "[ . 1 . 2]" 1
920 1 34 PHE QD 1 74 ILE QG . . 6.550 5.470 5.311 5.609 . 0 0 "[ . 1 . 2]" 1
921 1 34 PHE QE 1 74 ILE QG . 2.520 6.780 5.602 5.413 5.746 . 0 0 "[ . 1 . 2]" 1
922 1 34 PHE QD 1 74 ILE MG . . 9.150 5.449 4.831 6.173 . 0 0 "[ . 1 . 2]" 1
923 1 34 PHE QE 1 74 ILE MG . . 9.150 5.495 5.007 5.911 . 0 0 "[ . 1 . 2]" 1
924 1 34 PHE QD 1 74 ILE MD . . 9.150 6.570 6.131 6.800 . 0 0 "[ . 1 . 2]" 1
925 1 34 PHE QE 1 74 ILE MD . . 9.150 6.855 6.578 7.011 . 0 0 "[ . 1 . 2]" 1
926 1 47 TYR H 1 59 VAL QG . . 6.030 2.844 2.169 3.923 . 0 0 "[ . 1 . 2]" 1
927 1 47 TYR QB 1 101 GLU H . 2.850 4.630 4.032 3.788 4.294 . 0 0 "[ . 1 . 2]" 1
928 1 44 ILE MG 1 45 LYS H . . 7.030 2.478 2.230 2.617 . 0 0 "[ . 1 . 2]" 1
929 1 23 TYR H 1 86 VAL MG1 . 3.210 5.840 4.950 4.724 5.063 . 0 0 "[ . 1 . 2]" 1
930 1 40 ILE QG 1 100 PHE H . 2.880 5.190 4.555 3.895 4.739 . 0 0 "[ . 1 . 2]" 1
931 1 70 LEU HG 1 71 LEU H . . 6.000 4.452 2.767 5.541 . 0 0 "[ . 1 . 2]" 1
932 1 56 VAL HB 1 57 GLU H . 2.810 4.220 4.162 3.460 4.380 0.160 14 0 "[ . 1 . 2]" 1
933 1 40 ILE QG 1 100 PHE QD . . 9.000 5.049 4.408 5.742 . 0 0 "[ . 1 . 2]" 1
934 1 27 GLN HB3 1 28 GLY H . 2.230 4.880 3.664 2.683 4.471 . 0 0 "[ . 1 . 2]" 1
935 1 27 GLN HB2 1 28 GLY H . 2.230 4.880 4.383 4.037 4.613 . 0 0 "[ . 1 . 2]" 1
936 1 19 TYR QE 1 57 GLU QB . . 9.010 3.006 2.052 4.507 . 0 0 "[ . 1 . 2]" 1
937 1 14 MET HB3 1 15 LEU H . 2.080 3.720 2.724 1.908 3.774 0.172 10 0 "[ . 1 . 2]" 1
938 1 14 MET HB2 1 15 LEU H . 2.080 3.720 3.103 2.058 3.978 0.258 11 0 "[ . 1 . 2]" 1
939 1 23 TYR QD 1 87 ASP H . . 8.140 3.063 2.332 4.618 . 0 0 "[ . 1 . 2]" 1
940 1 23 TYR QE 1 87 ASP H . 3.760 7.770 3.610 2.989 4.851 0.771 12 5 "[* . -1 +**. 2]" 1
941 1 46 GLY H 1 97 PHE HB3 . . 3.770 3.078 2.409 3.793 0.023 19 0 "[ . 1 . 2]" 1
942 1 46 GLY H 1 97 PHE HB2 . 2.180 3.270 2.829 2.401 3.379 0.109 14 0 "[ . 1 . 2]" 1
943 1 23 TYR QD 1 55 SER QB . 2.530 6.810 3.054 2.109 5.498 0.421 3 0 "[ . 1 . 2]" 1
944 1 21 ARG HE 1 55 SER HA . . 6.000 5.310 3.974 6.079 0.079 20 0 "[ . 1 . 2]" 1
945 1 23 TYR QD 1 86 VAL HA . 2.740 6.250 3.694 2.824 5.028 . 0 0 "[ . 1 . 2]" 1
946 1 23 TYR H 1 86 VAL MG2 . 3.350 6.050 4.254 3.775 4.661 . 0 0 "[ . 1 . 2]" 1
947 1 14 MET QB 1 15 LEU H . 2.110 3.320 2.342 1.874 2.744 0.236 6 0 "[ . 1 . 2]" 1
948 1 26 VAL QG 1 56 VAL H . . 6.570 3.109 2.226 3.858 . 0 0 "[ . 1 . 2]" 1
949 1 27 GLN QB 1 28 GLY H . 2.650 4.090 3.457 2.647 3.977 0.003 15 0 "[ . 1 . 2]" 1
950 1 45 LYS QB 1 97 PHE H . . 4.510 3.498 2.997 4.290 . 0 0 "[ . 1 . 2]" 1
951 1 45 LYS QB 1 99 ASP H . . 4.300 2.954 2.215 3.479 . 0 0 "[ . 1 . 2]" 1
952 1 45 LYS QG 1 99 ASP H . . 4.580 3.253 2.073 4.124 . 0 0 "[ . 1 . 2]" 1
953 1 58 VAL QG 1 59 VAL H . . 6.590 2.716 2.328 3.294 . 0 0 "[ . 1 . 2]" 1
954 1 67 LEU QD 1 68 SER H . 2.430 8.600 3.488 3.295 3.663 . 0 0 "[ . 1 . 2]" 1
955 1 85 LYS QG 1 86 VAL H . . 4.770 4.298 4.084 4.568 . 0 0 "[ . 1 . 2]" 1
956 1 100 PHE H 1 100 PHE QB . . 3.590 2.455 2.235 2.823 . 0 0 "[ . 1 . 2]" 1
957 1 101 GLU QG 1 102 THR H . . 4.460 2.013 1.887 2.153 . 0 0 "[ . 1 . 2]" 1
958 1 23 TYR QD 1 85 LYS HG3 . 2.500 6.370 2.998 2.220 4.698 0.280 20 0 "[ . 1 . 2]" 1
959 1 23 TYR QE 1 85 LYS HG3 . 2.950 8.130 4.405 3.362 5.781 . 0 0 "[ . 1 . 2]" 1
960 1 23 TYR QD 1 85 LYS HG2 . 2.500 6.370 3.766 2.456 5.047 0.044 18 0 "[ . 1 . 2]" 1
961 1 23 TYR QE 1 85 LYS HG2 . 2.950 8.130 5.412 4.067 6.780 . 0 0 "[ . 1 . 2]" 1
962 1 27 GLN HE21 1 54 GLY H . . 7.200 3.751 2.573 5.041 . 0 0 "[ . 1 . 2]" 1
963 1 27 GLN HE22 1 55 SER H . 3.060 4.590 3.783 2.894 4.618 0.166 12 0 "[ . 1 . 2]" 1
964 1 27 GLN HE22 1 54 GLY QA . . 5.190 4.483 3.730 4.742 . 0 0 "[ . 1 . 2]" 1
965 1 34 PHE HA 1 37 ILE MG . 3.100 5.680 4.546 4.293 4.759 . 0 0 "[ . 1 . 2]" 1
966 1 35 VAL H 1 36 GLN H . . 2.580 2.560 2.438 2.644 0.064 8 0 "[ . 1 . 2]" 1
967 1 45 LYS H 1 61 GLU H . 2.080 3.120 3.129 2.982 3.210 0.090 15 0 "[ . 1 . 2]" 1
968 1 70 LEU MD2 1 71 LEU HA . 2.380 5.550 4.494 4.248 4.783 . 0 0 "[ . 1 . 2]" 1
969 1 70 LEU MD1 1 71 LEU HA . 2.380 4.600 3.603 2.942 4.025 . 0 0 "[ . 1 . 2]" 1
970 1 22 VAL QG 1 31 PHE QD . . 9.250 3.441 2.684 4.615 . 0 0 "[ . 1 . 2]" 1
971 1 68 SER HA 1 72 GLU QB . . 5.100 4.344 4.159 4.558 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 313
_Distance_constraint_stats_list.Viol_total 1626.642
_Distance_constraint_stats_list.Viol_max 1.185
_Distance_constraint_stats_list.Viol_rms 0.1390
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0399
_Distance_constraint_stats_list.Viol_average_violations_only 0.2598
_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 4 LYS 0.039 0.033 1 0 "[ . 1 . 2]"
1 6 TRP 0.229 0.088 20 0 "[ . 1 . 2]"
1 7 SER 0.267 0.056 14 0 "[ . 1 . 2]"
1 9 THR 2.249 0.240 12 0 "[ . 1 . 2]"
1 12 PHE 5.066 0.735 18 5 "[ . * * -.* + 2]"
1 13 GLU 1.965 0.246 3 0 "[ . 1 . 2]"
1 15 LEU 0.347 0.175 4 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 MET 3.576 0.442 2 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 1.286 0.306 14 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 2.045 0.197 14 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 8.947 0.916 7 9 "[* .*+ *1* * .- **]"
1 32 ARG 8.947 0.916 7 9 "[* .*+ *1* * .- **]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.725 0.185 8 0 "[ . 1 . 2]"
1 36 GLN 6.878 0.385 17 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.115 0.069 11 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 1.032 0.114 14 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 1.617 0.306 11 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.115 0.069 11 0 "[ . 1 . 2]"
1 71 LEU 7.910 0.421 20 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 4.252 0.533 14 1 "[ . 1 +. 2]"
1 80 ALA 0.302 0.222 14 0 "[ . 1 . 2]"
1 81 ALA 0.302 0.222 14 0 "[ . 1 . 2]"
1 83 VAL 4.252 0.533 14 1 "[ . 1 +. 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 11.926 0.815 14 15 "[** *.-* *1***+.*****]"
1 90 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 SER 1.650 0.186 17 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 PHE 16.492 1.185 13 17 "[*****-* ****+** ** *]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 TYR 2.415 0.893 18 2 "[ - . 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 4 LYS H 1 4 LYS HA . 2.910 . 2.972 2.877 3.001 0.033 1 0 "[ . 1 . 2]" 2
2 1 6 TRP H 1 6 TRP HA . 2.310 . 2.708 2.222 2.991 0.088 20 0 "[ . 1 . 2]" 2
3 1 6 TRP H 1 6 TRP HB2 . 2.420 . 3.354 2.484 4.129 . 0 0 "[ . 1 . 2]" 2
4 1 6 TRP H 1 6 TRP HB3 . 2.420 . 3.538 2.645 4.110 . 0 0 "[ . 1 . 2]" 2
5 1 7 SER HA 1 7 SER HB2 . 2.130 . 2.609 2.407 3.053 . 0 0 "[ . 1 . 2]" 2
6 1 7 SER HA 1 7 SER HB3 . 2.130 . 2.646 2.357 3.048 . 0 0 "[ . 1 . 2]" 2
7 1 7 SER HA 1 7 SER QB . 2.210 . 2.284 2.154 2.376 0.056 14 0 "[ . 1 . 2]" 2
8 1 7 SER H 1 7 SER HA . 2.870 . 2.960 2.875 2.999 . 0 0 "[ . 1 . 2]" 2
9 1 9 THR H 1 9 THR HA . 2.300 . 2.698 2.221 2.997 0.079 1 0 "[ . 1 . 2]" 2
10 1 9 THR H 1 9 THR HB . 3.780 . 3.709 3.540 3.920 0.240 12 0 "[ . 1 . 2]" 2
11 1 12 PHE HA 1 12 PHE QD . 3.120 . 3.151 2.385 3.814 0.735 18 5 "[ . * * -.* + 2]" 2
12 1 12 PHE H 1 12 PHE HB2 . 2.090 . 3.260 2.490 4.120 . 0 0 "[ . 1 . 2]" 2
13 1 12 PHE H 1 12 PHE HB3 . 2.090 . 3.504 2.840 3.826 . 0 0 "[ . 1 . 2]" 2
14 1 15 LEU H 1 15 LEU QD . 2.080 . 3.200 1.905 4.129 0.175 4 0 "[ . 1 . 2]" 2
15 1 22 VAL H 1 22 VAL HA . 2.270 . 2.953 2.927 2.983 . 0 0 "[ . 1 . 2]" 2
16 1 23 TYR H 1 23 TYR QD . 2.560 . 2.708 2.254 3.331 0.306 14 0 "[ . 1 . 2]" 2
17 1 24 GLY H 1 26 VAL QG . 2.320 . 3.290 2.916 3.858 . 0 0 "[ . 1 . 2]" 2
18 1 26 VAL HA 1 26 VAL HB . 2.270 . 2.449 2.333 2.511 . 0 0 "[ . 1 . 2]" 2
19 1 26 VAL HA 1 26 VAL MG1 . 2.440 . 2.341 2.243 2.513 0.197 14 0 "[ . 1 . 2]" 2
20 1 26 VAL HA 1 26 VAL MG2 . 2.740 . 3.244 3.228 3.266 . 0 0 "[ . 1 . 2]" 2
21 1 26 VAL HA 1 27 GLN H . 2.440 . 3.334 2.843 3.541 . 0 0 "[ . 1 . 2]" 2
22 1 26 VAL H 1 26 VAL HA . 2.300 . 2.887 2.775 2.976 . 0 0 "[ . 1 . 2]" 2
23 1 27 GLN HA 1 27 GLN HB2 . 2.240 . 2.797 2.376 3.001 . 0 0 "[ . 1 . 2]" 2
24 1 27 GLN HA 1 27 GLN HB3 . 2.240 . 2.889 2.663 3.047 . 0 0 "[ . 1 . 2]" 2
25 1 27 GLN H 1 27 GLN HA . 2.470 . 2.881 2.798 2.956 . 0 0 "[ . 1 . 2]" 2
26 1 34 PHE H 1 34 PHE QD . 3.480 . 4.231 4.194 4.282 . 0 0 "[ . 1 . 2]" 2
27 1 34 PHE QE 1 37 ILE HA . 2.250 . 7.435 7.297 7.571 . 0 0 "[ . 1 . 2]" 2
28 1 35 VAL HA 1 35 VAL HB . 2.540 . 2.838 2.355 3.060 0.185 8 0 "[ . 1 . 2]" 2
29 1 39 ALA H 1 70 LEU QD . 2.430 . 2.844 2.361 3.637 0.069 11 0 "[ . 1 . 2]" 2
30 1 41 ARG HA 1 44 ILE H . 2.770 . 6.435 6.092 7.138 . 0 0 "[ . 1 . 2]" 2
31 1 41 ARG H 1 41 ARG HG2 . . . 4.186 2.623 4.498 . 0 0 "[ . 1 . 2]" 2
32 1 41 ARG H 1 41 ARG HG3 . . . 4.274 3.278 4.480 . 0 0 "[ . 1 . 2]" 2
33 1 47 TYR H 1 47 TYR QD . 3.400 . 4.614 4.566 4.659 . 0 0 "[ . 1 . 2]" 2
34 1 48 ALA H 1 48 ALA HA . 2.540 . 2.987 2.974 2.998 . 0 0 "[ . 1 . 2]" 2
35 1 48 ALA H 1 48 ALA MB . 2.390 . 2.338 2.276 2.383 0.114 14 0 "[ . 1 . 2]" 2
36 1 58 VAL H 1 58 VAL MG1 . . . 3.814 3.712 3.862 . 0 0 "[ . 1 . 2]" 2
37 1 58 VAL H 1 58 VAL MG2 . . . 2.669 2.517 2.870 . 0 0 "[ . 1 . 2]" 2
38 1 61 GLU HB2 1 62 GLY H . 2.260 . 4.455 4.255 4.670 . 0 0 "[ . 1 . 2]" 2
39 1 61 GLU HB3 1 62 GLY H . 2.260 . 3.793 3.491 4.435 . 0 0 "[ . 1 . 2]" 2
40 1 63 TYR H 1 63 TYR QD . 2.370 . 2.453 2.064 4.344 0.306 11 0 "[ . 1 . 2]" 2
41 1 64 GLU QB 1 65 GLU H . . . 2.800 1.876 3.867 . 0 0 "[ . 1 . 2]" 2
42 1 68 SER H 1 69 LYS QB . 3.670 . 4.876 4.618 5.069 . 0 0 "[ . 1 . 2]" 2
43 1 70 LEU H 1 70 LEU HA . 2.220 . 2.901 2.713 2.960 . 0 0 "[ . 1 . 2]" 2
44 1 70 LEU MD1 1 71 LEU H . 2.600 . 3.902 3.158 4.422 . 0 0 "[ . 1 . 2]" 2
45 1 70 LEU MD2 1 71 LEU H . 2.600 . 4.311 3.805 4.730 . 0 0 "[ . 1 . 2]" 2
46 1 71 LEU HA 1 71 LEU QD . 2.360 . 2.006 1.939 2.179 0.421 20 0 "[ . 1 . 2]" 2
47 1 71 LEU HB2 1 72 GLU H . . . 3.007 2.586 3.542 . 0 0 "[ . 1 . 2]" 2
48 1 71 LEU HB3 1 72 GLU H . . . 2.586 2.090 2.947 . 0 0 "[ . 1 . 2]" 2
49 1 71 LEU H 1 71 LEU QD . 2.480 . 2.914 2.192 3.634 0.288 18 0 "[ . 1 . 2]" 2
50 1 72 GLU HA 1 72 GLU QG . 2.280 . 2.936 2.295 3.520 . 0 0 "[ . 1 . 2]" 2
51 1 72 GLU H 1 72 GLU HA . 2.220 . 2.803 2.752 2.862 . 0 0 "[ . 1 . 2]" 2
52 1 73 ARG HA 1 74 ILE MG . 2.550 . 6.128 6.032 6.223 . 0 0 "[ . 1 . 2]" 2
53 1 76 GLN H 1 76 GLN HA . 2.400 . 2.894 2.822 2.983 . 0 0 "[ . 1 . 2]" 2
54 1 80 ALA HA 1 81 ALA H . 2.770 . 2.889 2.548 3.484 0.222 14 0 "[ . 1 . 2]" 2
55 1 83 VAL H 1 83 VAL HA . 2.540 . 2.875 2.819 2.895 . 0 0 "[ . 1 . 2]" 2
56 1 84 GLU HA 1 85 LYS H . 2.670 . 3.613 3.573 3.661 . 0 0 "[ . 1 . 2]" 2
57 1 85 LYS H 1 85 LYS QB . 2.350 . 3.304 2.727 3.508 . 0 0 "[ . 1 . 2]" 2
58 1 86 VAL HA 1 88 TYR QD . 2.820 . 6.101 5.334 6.958 . 0 0 "[ . 1 . 2]" 2
59 1 86 VAL HB 1 88 TYR QD . . . 6.410 5.390 7.781 . 0 0 "[ . 1 . 2]" 2
60 1 86 VAL H 1 86 VAL HA . 2.400 . 2.943 2.864 3.000 . 0 0 "[ . 1 . 2]" 2
61 1 88 TYR H 1 88 TYR HA . 2.310 . 2.864 2.834 2.911 . 0 0 "[ . 1 . 2]" 2
62 1 88 TYR H 1 88 TYR QB . 2.350 . 2.404 2.272 2.544 0.078 3 0 "[ . 1 . 2]" 2
63 1 88 TYR H 1 88 TYR QD . 2.920 . 2.339 2.105 2.778 0.815 14 15 "[** *.-* *1***+.*****]" 2
64 1 90 PHE H 1 90 PHE HA . 2.440 . 2.892 2.770 2.958 . 0 0 "[ . 1 . 2]" 2
65 1 93 TYR H 1 93 TYR HA . 2.470 . 2.799 2.696 2.882 . 0 0 "[ . 1 . 2]" 2
66 1 94 LYS HA 1 95 GLY H . 3.040 . 3.600 3.566 3.630 . 0 0 "[ . 1 . 2]" 2
67 1 96 GLU H 1 96 GLU HA . 2.220 . 2.920 2.827 2.943 . 0 0 "[ . 1 . 2]" 2
68 1 97 PHE H 1 97 PHE HA . 2.580 . 2.896 2.798 2.948 . 0 0 "[ . 1 . 2]" 2
69 1 97 PHE H 1 97 PHE QD . 3.320 . 2.495 2.135 3.008 1.185 13 17 "[*****-* ****+** ** *]" 2
70 1 102 THR H 1 102 THR HA . 2.270 . 2.940 2.919 2.968 . 0 0 "[ . 1 . 2]" 2
71 1 102 THR H 1 102 THR HB . 3.330 . 3.626 3.542 3.673 . 0 0 "[ . 1 . 2]" 2
72 1 103 TYR H 1 103 TYR QD . 3.380 . 3.656 2.487 4.241 0.893 18 2 "[ - . 1 . + 2]" 2
73 1 13 GLU H 1 13 GLU HB2 . 3.800 . 3.705 3.554 3.827 0.246 3 0 "[ . 1 . 2]" 2
74 1 97 PHE HA 1 97 PHE HB3 . 2.370 . 2.541 2.420 2.648 . 0 0 "[ . 1 . 2]" 2
75 1 27 GLN HE22 1 27 GLN QG . 3.190 . 3.274 3.246 3.350 . 0 0 "[ . 1 . 2]" 2
76 1 79 PRO HD3 1 83 VAL QG . 2.680 . 3.352 2.862 3.569 . 0 0 "[ . 1 . 2]" 2
77 1 79 PRO HD2 1 83 VAL QG . 2.680 . 2.542 2.147 4.177 0.533 14 1 "[ . 1 +. 2]" 2
78 1 36 GLN HE21 1 36 GLN HG3 . 2.270 . 3.101 2.284 3.649 . 0 0 "[ . 1 . 2]" 2
79 1 36 GLN HE21 1 36 GLN HG2 . 2.270 . 3.279 2.287 3.640 . 0 0 "[ . 1 . 2]" 2
80 1 36 GLN H 1 36 GLN QB . 2.500 . 2.238 2.115 2.572 0.385 17 0 "[ . 1 . 2]" 2
81 1 36 GLN HA 1 36 GLN QG . 2.020 . 2.600 2.321 3.239 . 0 0 "[ . 1 . 2]" 2
82 1 36 GLN QB 1 36 GLN QG . . . 1.993 1.944 2.012 0.056 9 0 "[ . 1 . 2]" 2
83 1 36 GLN QE 1 36 GLN QG . 2.500 . 2.605 2.223 2.856 0.277 2 0 "[ . 1 . 2]" 2
84 1 68 SER HA 1 71 LEU HA . 2.560 . 5.237 4.907 5.486 . 0 0 "[ . 1 . 2]" 2
85 1 68 SER HA 1 71 LEU QD . 2.970 . 3.887 3.476 4.308 . 0 0 "[ . 1 . 2]" 2
86 1 70 LEU QB 1 73 ARG QH1 . 3.120 . 6.585 5.731 7.272 . 0 0 "[ . 1 . 2]" 2
87 1 15 LEU HB3 1 15 LEU MD1 . . . 3.014 2.420 3.225 . 0 0 "[ . 1 . 2]" 2
88 1 15 LEU HB3 1 15 LEU MD2 . . . 2.234 2.146 3.219 . 0 0 "[ . 1 . 2]" 2
89 1 23 TYR H 1 23 TYR HB3 . . . 3.635 3.567 3.692 . 0 0 "[ . 1 . 2]" 2
90 1 91 SER H 1 91 SER HB2 . 2.890 . 2.888 2.704 3.449 0.186 17 0 "[ . 1 . 2]" 2
91 1 91 SER H 1 91 SER HB3 . 2.890 . 3.893 3.811 4.171 . 0 0 "[ . 1 . 2]" 2
92 1 101 GLU QB 1 101 GLU HG2 . . . 2.366 2.347 2.404 . 0 0 "[ . 1 . 2]" 2
93 1 101 GLU QB 1 101 GLU HG3 . . . 2.413 2.367 2.446 . 0 0 "[ . 1 . 2]" 2
94 1 31 PHE HB3 1 32 ARG H . 2.290 . 3.085 2.285 4.393 0.005 11 0 "[ . 1 . 2]" 2
95 1 31 PHE HB2 1 32 ARG H . 2.290 . 3.840 2.241 4.591 0.049 7 0 "[ . 1 . 2]" 2
96 1 32 ARG HA 1 33 LYS H . 2.240 . 3.565 3.487 3.616 . 0 0 "[ . 1 . 2]" 2
97 1 31 PHE QB 1 32 ARG H . 3.140 . 2.871 2.224 3.991 0.916 7 9 "[* .*+ *1* * .- **]" 2
98 1 31 PHE HA 1 32 ARG H . 2.640 . 3.125 2.504 3.617 0.136 8 0 "[ . 1 . 2]" 2
99 1 17 ARG H 1 17 ARG HA . 2.470 . 2.951 2.914 2.995 . 0 0 "[ . 1 . 2]" 2
100 1 19 TYR HA 1 19 TYR QD . 2.260 . 2.604 2.316 3.207 . 0 0 "[ . 1 . 2]" 2
101 1 19 TYR QB 1 20 ALA H . . . 3.934 3.762 4.066 . 0 0 "[ . 1 . 2]" 2
102 1 18 MET H 1 18 MET HB3 . 2.850 . 2.751 2.408 3.093 0.442 2 0 "[ . 1 . 2]" 2
stop_
save_
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