NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534813 |
2ljm   |
17949 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ljm
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 753
_Distance_constraint_stats_list.Viol_count 516
_Distance_constraint_stats_list.Viol_total 5869.605
_Distance_constraint_stats_list.Viol_max 1.793
_Distance_constraint_stats_list.Viol_rms 0.1332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0195
_Distance_constraint_stats_list.Viol_average_violations_only 0.5688
_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 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 4.348 0.508 2 1 "[ + . 1 . 2]"
1 19 GLY 6.284 0.725 18 5 "[ ** . 1 *- . + 2]"
1 20 TYR 5.961 0.559 16 7 "[ * .* * 1* -+ *2]"
1 21 LEU 0.038 0.038 9 0 "[ . 1 . 2]"
1 22 VAL 88.177 1.738 19 20 [****-*************+*]
1 23 SER 0.087 0.055 5 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 5.191 1.188 1 1 "[+ . 1 . 2]"
1 28 CYS 4.432 1.076 8 4 "[ * + 1* -. 2]"
1 29 LYS 0.064 0.064 13 0 "[ . 1 . 2]"
1 31 GLU 5.961 0.559 16 7 "[ * .* * 1* -+ *2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 27.262 1.354 9 18 "[******* +**********2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 2.307 0.527 19 1 "[ . 1 . +2]"
1 40 TYR 0.064 0.064 13 0 "[ . 1 . 2]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 49.614 1.474 4 19 [***+**********.*-***]
1 43 ARG 0.574 0.150 8 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 0.299 0.299 20 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TYR 0.676 0.676 20 1 "[ . 1 . +]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 7.811 1.348 17 5 "[ . 1* * . +- *]"
1 54 GLY 13.324 1.357 18 12 "[ * .* - 1****.**+**]"
1 55 GLY 5.371 0.980 11 4 "[ . * 1+ . -* 2]"
1 56 TYR 28.037 1.474 4 18 "[***+****** ***.*-***]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 9.491 1.354 9 6 "[ * . +*-* *. 2]"
1 59 ALA 17.770 1.093 19 18 "[******* -*********+2]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.038 0.038 9 0 "[ . 1 . 2]"
1 63 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 4.831 0.417 3 0 "[ . 1 . 2]"
1 65 THR 9.493 1.773 20 5 "[ * . 1 - . ** +]"
1 66 HIS 2.232 0.760 2 1 "[ + . 1 . 2]"
1 67 LEU 38.335 1.773 20 8 "[ -* . 1*** . ** +]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 6.979 0.373 19 0 "[ . 1 . 2]"
1 72 VAL 53.522 1.793 9 20 [********+*****-*****]
1 73 VAL 58.856 1.603 15 20 [**-***********+*****]
1 74 TRP 99.024 1.793 9 20 [****-***+***********]
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 30.508 1.544 7 12 "[** ***+***- * . *]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLY QA 1 12 SER H 3.230 . 3.730 2.341 2.114 2.851 . 0 0 "[ . 1 . 2]" 1
2 1 11 GLY QA 1 12 SER HA 4.970 . 5.470 4.002 3.937 4.114 . 0 0 "[ . 1 . 2]" 1
3 1 12 SER H 1 12 SER HB2 3.720 . 4.220 3.149 2.315 3.834 . 0 0 "[ . 1 . 2]" 1
4 1 12 SER H 1 12 SER QB 3.460 . 3.960 2.616 2.288 3.065 . 0 0 "[ . 1 . 2]" 1
5 1 12 SER H 1 12 SER HB3 3.720 . 4.220 3.040 2.361 3.719 . 0 0 "[ . 1 . 2]" 1
6 1 13 ILE H 1 13 ILE HB 2.960 . 3.460 2.610 2.536 2.827 . 0 0 "[ . 1 . 2]" 1
7 1 13 ILE H 1 13 ILE HG12 3.830 . 4.330 3.102 1.970 3.831 . 0 0 "[ . 1 . 2]" 1
8 1 13 ILE H 1 13 ILE QG 3.370 . 3.870 2.291 1.960 2.727 . 0 0 "[ . 1 . 2]" 1
9 1 13 ILE H 1 13 ILE HG13 3.830 . 4.330 2.835 1.992 3.821 . 0 0 "[ . 1 . 2]" 1
10 1 13 ILE HA 1 14 GLU H 2.750 . 3.250 2.215 2.140 2.453 . 0 0 "[ . 1 . 2]" 1
11 1 13 ILE HB 1 14 GLU H 4.440 . 4.940 4.226 3.835 4.434 . 0 0 "[ . 1 . 2]" 1
12 1 13 ILE QG 1 14 GLU H 5.610 . 6.110 4.454 4.101 4.862 . 0 0 "[ . 1 . 2]" 1
13 1 13 ILE MG 1 14 GLU H 4.900 . 5.400 2.876 2.213 3.820 . 0 0 "[ . 1 . 2]" 1
14 1 14 GLU H 1 14 GLU HB2 3.710 . 4.210 2.885 2.239 3.684 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLU H 1 14 GLU QB 3.340 . 3.840 2.480 2.216 2.935 . 0 0 "[ . 1 . 2]" 1
16 1 14 GLU H 1 14 GLU HB3 3.710 . 4.210 3.039 2.460 3.706 . 0 0 "[ . 1 . 2]" 1
17 1 14 GLU H 1 14 GLU QG 4.660 . 5.160 3.116 1.935 4.151 . 0 0 "[ . 1 . 2]" 1
18 1 14 GLU HA 1 15 GLY H 2.710 . 3.210 2.289 2.145 2.595 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLU QB 1 15 GLY H 4.320 . 4.820 3.102 2.013 3.852 . 0 0 "[ . 1 . 2]" 1
20 1 14 GLU QG 1 15 GLY H 5.980 . 6.480 3.315 1.978 4.324 . 0 0 "[ . 1 . 2]" 1
21 1 15 GLY QA 1 16 ARG H 3.360 . 3.860 2.339 2.110 2.763 . 0 0 "[ . 1 . 2]" 1
22 1 16 ARG H 1 16 ARG HB2 3.850 . 4.350 3.203 2.581 3.907 . 0 0 "[ . 1 . 2]" 1
23 1 16 ARG H 1 16 ARG QB 3.580 . 4.080 2.783 2.354 3.300 . 0 0 "[ . 1 . 2]" 1
24 1 16 ARG H 1 16 ARG HB3 3.850 . 4.350 3.236 2.693 3.990 . 0 0 "[ . 1 . 2]" 1
25 1 16 ARG H 1 17 LYS H 2.910 . 3.410 2.786 2.551 2.984 . 0 0 "[ . 1 . 2]" 1
26 1 16 ARG HA 1 17 LYS H 3.010 . 3.510 2.835 2.702 2.961 . 0 0 "[ . 1 . 2]" 1
27 1 17 LYS H 1 17 LYS HB2 3.250 . 3.750 2.593 2.171 2.851 . 0 0 "[ . 1 . 2]" 1
28 1 17 LYS H 1 17 LYS QB 3.150 . 3.650 2.398 2.118 2.648 . 0 0 "[ . 1 . 2]" 1
29 1 17 LYS H 1 17 LYS HB3 3.250 . 3.750 2.889 2.649 3.259 . 0 0 "[ . 1 . 2]" 1
30 1 17 LYS H 1 17 LYS QD 5.520 . 6.020 4.599 3.650 4.927 . 0 0 "[ . 1 . 2]" 1
31 1 17 LYS H 1 17 LYS QG 4.670 . 5.170 4.052 3.752 4.164 . 0 0 "[ . 1 . 2]" 1
32 1 17 LYS H 1 18 GLU H 4.940 . 5.440 4.516 4.385 4.645 . 0 0 "[ . 1 . 2]" 1
33 1 17 LYS HA 1 17 LYS QD 4.650 . 5.150 3.510 2.186 4.079 . 0 0 "[ . 1 . 2]" 1
34 1 17 LYS HA 1 18 GLU H 2.690 . 3.190 2.410 2.237 2.667 . 0 0 "[ . 1 . 2]" 1
35 1 17 LYS QB 1 17 LYS QD 3.310 . 3.810 2.181 1.973 2.440 . 0 0 "[ . 1 . 2]" 1
36 1 17 LYS QB 1 18 GLU H 3.840 . 4.340 3.084 2.179 3.424 . 0 0 "[ . 1 . 2]" 1
37 1 17 LYS HB2 1 18 GLU H 4.250 . 4.750 3.971 3.649 4.235 . 0 0 "[ . 1 . 2]" 1
38 1 17 LYS HB3 1 18 GLU H 4.250 . 4.750 3.233 2.196 3.663 . 0 0 "[ . 1 . 2]" 1
39 1 17 LYS QD 1 18 GLU H 4.270 . 4.770 3.568 2.114 3.830 . 0 0 "[ . 1 . 2]" 1
40 1 17 LYS QG 1 18 GLU H 3.970 . 4.470 2.026 1.892 3.108 . 0 0 "[ . 1 . 2]" 1
41 1 18 GLU H 1 18 GLU HG2 4.450 . 4.950 3.848 3.215 4.446 . 0 0 "[ . 1 . 2]" 1
42 1 18 GLU H 1 18 GLU QG 4.230 . 4.730 2.777 1.936 3.574 . 0 0 "[ . 1 . 2]" 1
43 1 18 GLU H 1 18 GLU HG3 4.450 . 4.950 2.864 1.949 3.766 . 0 0 "[ . 1 . 2]" 1
44 1 18 GLU H 1 63 TRP HZ2 5.500 . 6.000 4.224 3.645 4.650 . 0 0 "[ . 1 . 2]" 1
45 1 18 GLU HA 1 63 TRP HE1 5.500 . 6.000 4.893 4.602 5.184 . 0 0 "[ . 1 . 2]" 1
46 1 18 GLU HA 1 67 LEU CG 3.710 . 4.210 4.424 4.160 4.718 0.508 2 1 "[ + . 1 . 2]" 1
47 1 18 GLU HA 1 67 LEU HB2 3.690 . 4.190 2.755 2.252 3.542 . 0 0 "[ . 1 . 2]" 1
48 1 18 GLU HA 1 67 LEU HG 5.500 . 6.000 5.362 4.557 5.510 . 0 0 "[ . 1 . 2]" 1
49 1 18 GLU QB 1 63 TRP HD1 4.660 . 5.160 4.038 3.577 4.156 . 0 0 "[ . 1 . 2]" 1
50 1 18 GLU QB 1 63 TRP HE1 3.470 . 3.970 2.320 2.128 2.527 . 0 0 "[ . 1 . 2]" 1
51 1 18 GLU QB 1 63 TRP HH2 5.660 . 6.160 3.917 3.594 4.166 . 0 0 "[ . 1 . 2]" 1
52 1 18 GLU QB 1 63 TRP HZ2 3.340 . 3.840 2.012 1.924 2.159 . 0 0 "[ . 1 . 2]" 1
53 1 18 GLU QB 1 65 THR MG 5.110 . 5.610 3.100 2.684 3.798 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLU HB2 1 19 GLY H 3.700 . 4.200 3.310 2.949 3.604 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU HB2 1 63 TRP HE1 3.650 . 4.150 2.748 2.272 3.262 . 0 0 "[ . 1 . 2]" 1
56 1 18 GLU HB2 1 63 TRP HZ2 3.500 . 4.000 2.047 1.995 2.194 . 0 0 "[ . 1 . 2]" 1
57 1 18 GLU HB3 1 19 GLY H 3.700 . 4.200 2.196 1.946 2.610 . 0 0 "[ . 1 . 2]" 1
58 1 18 GLU HB3 1 63 TRP HE1 3.650 . 4.150 2.561 2.187 2.903 . 0 0 "[ . 1 . 2]" 1
59 1 18 GLU HB3 1 63 TRP HZ2 3.500 . 4.000 3.027 2.497 3.502 . 0 0 "[ . 1 . 2]" 1
60 1 18 GLU QG 1 19 GLY H 4.940 . 5.440 3.814 3.625 4.098 . 0 0 "[ . 1 . 2]" 1
61 1 18 GLU QG 1 63 TRP HD1 5.990 . 6.490 4.253 3.661 5.179 . 0 0 "[ . 1 . 2]" 1
62 1 18 GLU QG 1 63 TRP HE1 5.190 . 5.690 2.704 2.244 3.567 . 0 0 "[ . 1 . 2]" 1
63 1 18 GLU QG 1 63 TRP HZ2 4.920 . 5.420 3.990 3.637 4.289 . 0 0 "[ . 1 . 2]" 1
64 1 18 GLU QG 1 65 THR H 5.990 . 6.490 4.524 4.299 4.793 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU QG 1 65 THR HA 3.570 . 4.070 2.023 1.901 2.254 . 0 0 "[ . 1 . 2]" 1
66 1 18 GLU QG 1 65 THR MG 5.190 . 5.690 2.399 1.940 3.443 . 0 0 "[ . 1 . 2]" 1
67 1 18 GLU QG 1 66 HIS H 4.680 . 5.180 2.577 1.976 4.010 . 0 0 "[ . 1 . 2]" 1
68 1 18 GLU QG 1 67 LEU HB2 5.990 . 6.490 4.487 3.878 5.322 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLU HG2 1 63 TRP HE1 5.500 . 6.000 2.765 2.258 3.871 . 0 0 "[ . 1 . 2]" 1
70 1 18 GLU HG2 1 63 TRP HZ2 5.140 . 5.640 4.291 3.778 4.989 . 0 0 "[ . 1 . 2]" 1
71 1 18 GLU HG3 1 63 TRP HE1 5.500 . 6.000 4.103 3.847 4.445 . 0 0 "[ . 1 . 2]" 1
72 1 18 GLU HG3 1 63 TRP HZ2 5.140 . 5.640 4.844 4.399 5.141 . 0 0 "[ . 1 . 2]" 1
73 1 19 GLY H 1 19 GLY HA3 2.920 . 3.420 2.809 2.720 2.856 . 0 0 "[ . 1 . 2]" 1
74 1 19 GLY H 1 63 TRP HD1 5.500 . 6.000 5.454 5.232 5.513 . 0 0 "[ . 1 . 2]" 1
75 1 19 GLY H 1 64 CYS H 4.470 . 4.970 3.808 3.225 4.461 . 0 0 "[ . 1 . 2]" 1
76 1 19 GLY H 1 64 CYS QB 5.580 . 6.080 3.650 2.808 4.260 . 0 0 "[ . 1 . 2]" 1
77 1 19 GLY H 1 65 THR MG 6.210 . 6.710 4.556 4.015 5.178 . 0 0 "[ . 1 . 2]" 1
78 1 19 GLY H 1 67 LEU CG 3.660 . 4.160 4.459 4.010 4.885 0.725 18 5 "[ ** . 1 *- . + 2]" 1
79 1 19 GLY H 1 67 LEU HB2 5.500 . 6.000 3.697 3.054 4.611 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLY HA2 1 20 TYR H 3.560 . 4.060 2.811 2.316 3.094 . 0 0 "[ . 1 . 2]" 1
81 1 19 GLY HA2 1 63 TRP HE3 5.100 . 5.600 4.696 4.229 5.103 . 0 0 "[ . 1 . 2]" 1
82 1 19 GLY HA2 1 63 TRP HH2 3.630 . 4.130 2.938 2.504 3.369 . 0 0 "[ . 1 . 2]" 1
83 1 19 GLY HA2 1 63 TRP HZ2 4.180 . 4.680 3.850 3.341 4.184 . 0 0 "[ . 1 . 2]" 1
84 1 19 GLY HA2 1 63 TRP HZ3 5.500 . 6.000 3.486 2.964 3.826 . 0 0 "[ . 1 . 2]" 1
85 1 19 GLY HA2 1 73 VAL MG1 4.560 . 5.060 2.619 1.974 3.238 . 0 0 "[ . 1 . 2]" 1
86 1 19 GLY HA2 1 73 VAL MG2 5.920 . 6.420 4.615 4.188 4.935 . 0 0 "[ . 1 . 2]" 1
87 1 19 GLY HA3 1 20 TYR H 3.530 . 4.030 2.358 2.169 2.847 . 0 0 "[ . 1 . 2]" 1
88 1 19 GLY HA3 1 63 TRP HH2 5.500 . 6.000 4.623 4.201 5.078 . 0 0 "[ . 1 . 2]" 1
89 1 19 GLY HA3 1 63 TRP HZ3 5.500 . 6.000 5.111 4.616 5.436 . 0 0 "[ . 1 . 2]" 1
90 1 19 GLY HA3 1 67 LEU CG 5.440 . 5.940 4.897 4.234 5.767 . 0 0 "[ . 1 . 2]" 1
91 1 19 GLY HA3 1 73 VAL HB 4.280 . 4.780 3.747 2.962 4.284 . 0 0 "[ . 1 . 2]" 1
92 1 19 GLY HA3 1 73 VAL MG1 4.290 . 4.790 2.011 1.889 2.262 . 0 0 "[ . 1 . 2]" 1
93 1 20 TYR H 1 20 TYR HB2 3.330 . 3.830 2.276 2.120 2.463 . 0 0 "[ . 1 . 2]" 1
94 1 20 TYR H 1 20 TYR QD 4.840 . 5.340 3.067 2.428 3.468 . 0 0 "[ . 1 . 2]" 1
95 1 20 TYR H 1 63 TRP HZ3 5.500 . 6.000 4.725 3.421 5.491 . 0 0 "[ . 1 . 2]" 1
96 1 20 TYR H 1 73 VAL HB 4.060 . 4.560 2.818 2.457 3.148 . 0 0 "[ . 1 . 2]" 1
97 1 20 TYR H 1 73 VAL MG1 5.980 . 6.480 2.243 1.897 2.888 . 0 0 "[ . 1 . 2]" 1
98 1 20 TYR H 1 73 VAL MG2 5.180 . 5.680 4.218 3.778 4.356 . 0 0 "[ . 1 . 2]" 1
99 1 20 TYR H 1 74 TRP H 4.900 . 5.400 3.334 2.637 3.981 . 0 0 "[ . 1 . 2]" 1
100 1 20 TYR HA 1 20 TYR QD 3.690 . 4.190 2.907 2.652 3.013 . 0 0 "[ . 1 . 2]" 1
101 1 20 TYR HA 1 21 LEU H 2.890 . 3.390 2.533 2.383 2.603 . 0 0 "[ . 1 . 2]" 1
102 1 20 TYR HA 1 63 TRP HE3 4.540 . 5.040 4.263 3.667 4.548 . 0 0 "[ . 1 . 2]" 1
103 1 20 TYR HA 1 73 VAL HA 5.040 . 5.540 4.788 4.423 5.046 . 0 0 "[ . 1 . 2]" 1
104 1 20 TYR HB2 1 21 LEU H 5.500 . 6.000 3.718 3.559 3.990 . 0 0 "[ . 1 . 2]" 1
105 1 20 TYR HB2 1 73 VAL HA 3.470 . 3.970 2.681 1.997 3.196 . 0 0 "[ . 1 . 2]" 1
106 1 20 TYR HB2 1 73 VAL HB 5.280 . 5.780 3.177 2.285 3.881 . 0 0 "[ . 1 . 2]" 1
107 1 20 TYR HB2 1 73 VAL MG2 6.060 . 6.560 4.501 3.965 5.007 . 0 0 "[ . 1 . 2]" 1
108 1 20 TYR HB2 1 74 TRP H 3.360 . 3.860 2.095 1.943 2.481 . 0 0 "[ . 1 . 2]" 1
109 1 20 TYR HB3 1 21 LEU H 4.540 . 5.040 2.255 2.075 2.654 . 0 0 "[ . 1 . 2]" 1
110 1 20 TYR HB3 1 21 LEU MD1 6.610 . 7.110 5.073 4.619 5.462 . 0 0 "[ . 1 . 2]" 1
111 1 20 TYR HB3 1 29 LYS QG 4.570 . 5.070 3.553 2.907 4.094 . 0 0 "[ . 1 . 2]" 1
112 1 20 TYR HB3 1 73 VAL HA 4.370 . 4.870 3.794 3.161 4.253 . 0 0 "[ . 1 . 2]" 1
113 1 20 TYR QD 1 21 LEU MD1 7.410 . 7.910 5.042 4.565 5.511 . 0 0 "[ . 1 . 2]" 1
114 1 20 TYR QD 1 22 VAL CB 6.020 . 6.520 4.891 4.494 5.414 . 0 0 "[ . 1 . 2]" 1
115 1 20 TYR QD 1 63 TRP HB2 6.170 . 6.670 5.377 5.134 5.503 . 0 0 "[ . 1 . 2]" 1
116 1 20 TYR QD 1 63 TRP HE3 4.320 . 4.820 3.080 2.627 3.567 . 0 0 "[ . 1 . 2]" 1
117 1 20 TYR QD 1 63 TRP HZ3 4.410 . 4.910 2.464 2.016 2.863 . 0 0 "[ . 1 . 2]" 1
118 1 20 TYR QD 1 74 TRP QB 6.730 . 7.230 3.121 2.562 3.731 . 0 0 "[ . 1 . 2]" 1
119 1 20 TYR HD2 1 21 LEU MD2 7.410 . 7.910 4.311 3.729 4.702 . 0 0 "[ . 1 . 2]" 1
120 1 20 TYR HD2 1 29 LYS HA 6.170 . 6.670 5.255 4.810 5.883 . 0 0 "[ . 1 . 2]" 1
121 1 20 TYR HD2 1 29 LYS HB2 4.850 . 5.350 3.225 2.623 3.799 . 0 0 "[ . 1 . 2]" 1
122 1 20 TYR HD2 1 29 LYS QB 4.720 . 5.220 2.837 2.300 3.460 . 0 0 "[ . 1 . 2]" 1
123 1 20 TYR HD2 1 29 LYS HB3 4.850 . 5.350 3.206 2.498 4.121 . 0 0 "[ . 1 . 2]" 1
124 1 20 TYR HD2 1 29 LYS QG 6.930 . 7.430 2.157 1.978 2.927 . 0 0 "[ . 1 . 2]" 1
125 1 20 TYR HD2 1 31 GLU HA 6.050 . 6.550 6.831 6.428 7.109 0.559 16 7 "[ * .* * 1* -+ *2]" 1
126 1 20 TYR HD2 1 61 ALA H 5.600 . 6.100 5.043 4.262 5.707 . 0 0 "[ . 1 . 2]" 1
127 1 20 TYR HD2 1 61 ALA MB 4.030 . 4.530 3.857 3.379 4.310 . 0 0 "[ . 1 . 2]" 1
128 1 20 TYR HD2 1 63 TRP HA 5.390 . 5.890 4.325 4.010 4.593 . 0 0 "[ . 1 . 2]" 1
129 1 20 TYR HD2 1 63 TRP HE3 4.220 . 4.720 2.355 2.049 3.152 . 0 0 "[ . 1 . 2]" 1
130 1 20 TYR HD2 1 63 TRP HZ3 3.700 . 4.200 2.406 1.998 2.914 . 0 0 "[ . 1 . 2]" 1
131 1 20 TYR HD2 1 74 TRP H 6.170 . 6.670 4.503 3.795 4.978 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU H 1 21 LEU HB2 3.840 . 4.340 3.695 3.648 3.746 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU H 1 21 LEU HB3 3.840 . 4.340 2.772 2.577 2.993 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU H 1 21 LEU HG 5.340 . 5.840 2.265 2.081 2.479 . 0 0 "[ . 1 . 2]" 1
135 1 21 LEU H 1 22 VAL H 5.500 . 6.000 2.493 2.301 2.624 . 0 0 "[ . 1 . 2]" 1
136 1 21 LEU HA 1 21 LEU MD1 4.550 . 5.050 3.686 3.612 3.798 . 0 0 "[ . 1 . 2]" 1
137 1 21 LEU HA 1 22 VAL H 3.250 . 3.750 3.096 3.044 3.161 . 0 0 "[ . 1 . 2]" 1
138 1 21 LEU QB 1 45 CYS HA 5.080 . 5.580 3.679 3.065 4.270 . 0 0 "[ . 1 . 2]" 1
139 1 21 LEU QB 1 62 CYS QB 6.530 . 7.030 4.428 3.549 5.212 . 0 0 "[ . 1 . 2]" 1
140 1 21 LEU HB2 1 22 VAL H 4.570 . 5.070 4.459 4.420 4.501 . 0 0 "[ . 1 . 2]" 1
141 1 21 LEU HB3 1 22 VAL H 4.570 . 5.070 4.441 4.330 4.512 . 0 0 "[ . 1 . 2]" 1
142 1 21 LEU MD1 1 22 VAL H 5.480 . 5.980 4.023 3.739 4.390 . 0 0 "[ . 1 . 2]" 1
143 1 21 LEU MD1 1 23 SER H 6.610 . 7.110 4.107 3.468 4.927 . 0 0 "[ . 1 . 2]" 1
144 1 21 LEU MD1 1 29 LYS QD 5.350 . 5.850 2.727 1.949 3.982 . 0 0 "[ . 1 . 2]" 1
145 1 21 LEU MD1 1 29 LYS QE 6.870 . 7.370 3.167 2.305 3.923 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU MD1 1 40 TYR HD2 4.500 . 5.000 3.898 2.853 4.715 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU MD1 1 44 GLU H 6.610 . 7.110 4.874 4.534 5.500 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU MD1 1 44 GLU HA 6.610 . 7.110 4.187 3.696 4.934 . 0 0 "[ . 1 . 2]" 1
149 1 21 LEU MD1 1 44 GLU QB 5.030 . 5.530 2.111 1.852 3.050 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU MD1 1 45 CYS H 6.610 . 7.110 4.815 4.266 5.069 . 0 0 "[ . 1 . 2]" 1
151 1 21 LEU MD1 1 45 CYS HA 6.290 . 6.790 4.790 4.288 5.213 . 0 0 "[ . 1 . 2]" 1
152 1 21 LEU MD1 1 45 CYS QB 7.200 . 7.700 5.124 4.432 5.370 . 0 0 "[ . 1 . 2]" 1
153 1 21 LEU MD1 1 62 CYS QB 7.200 . 7.700 4.371 3.827 5.089 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU MD2 1 29 LYS QD 4.450 . 4.950 2.550 1.885 3.354 . 0 0 "[ . 1 . 2]" 1
155 1 21 LEU MD2 1 29 LYS QE 4.310 . 4.810 2.327 1.856 3.162 . 0 0 "[ . 1 . 2]" 1
156 1 21 LEU MD2 1 29 LYS QG 6.200 . 6.700 3.683 2.700 4.406 . 0 0 "[ . 1 . 2]" 1
157 1 21 LEU MD2 1 40 TYR HD2 4.610 . 5.110 3.492 3.101 3.912 . 0 0 "[ . 1 . 2]" 1
158 1 21 LEU MD2 1 44 GLU HA 6.610 . 7.110 4.925 4.439 5.485 . 0 0 "[ . 1 . 2]" 1
159 1 21 LEU MD2 1 45 CYS H 6.220 . 6.720 4.168 3.416 4.578 . 0 0 "[ . 1 . 2]" 1
160 1 21 LEU MD2 1 45 CYS HA 6.610 . 7.110 4.869 3.824 5.426 . 0 0 "[ . 1 . 2]" 1
161 1 21 LEU MD2 1 45 CYS QB 7.200 . 7.700 4.041 2.533 4.510 . 0 0 "[ . 1 . 2]" 1
162 1 21 LEU MD2 1 62 CYS HB2 5.760 . 6.260 3.181 2.093 4.098 . 0 0 "[ . 1 . 2]" 1
163 1 21 LEU MD2 1 62 CYS QB 5.280 . 5.780 2.248 1.762 3.098 0.038 9 0 "[ . 1 . 2]" 1
164 1 21 LEU MD2 1 62 CYS HB3 5.760 . 6.260 2.307 1.885 3.206 . 0 0 "[ . 1 . 2]" 1
165 1 21 LEU HG 1 22 VAL H 3.460 . 3.960 3.459 3.291 3.549 . 0 0 "[ . 1 . 2]" 1
166 1 21 LEU HG 1 29 LYS QE 6.170 . 6.670 3.259 2.030 4.398 . 0 0 "[ . 1 . 2]" 1
167 1 22 VAL CB 1 22 VAL H 3.180 . 3.680 2.566 2.564 2.571 . 0 0 "[ . 1 . 2]" 1
168 1 22 VAL CB 1 23 SER H 3.170 . 3.670 3.443 3.049 3.725 0.055 5 0 "[ . 1 . 2]" 1
169 1 22 VAL CB 1 23 SER QB 5.930 . 6.430 5.262 5.001 5.428 . 0 0 "[ . 1 . 2]" 1
170 1 22 VAL CB 1 27 GLY QA 3.240 . 3.740 3.897 3.261 4.928 1.188 1 1 "[+ . 1 . 2]" 1
171 1 22 VAL CB 1 28 CYS H 5.050 . 5.550 5.317 4.233 6.626 1.076 8 4 "[ * + 1* -. 2]" 1
172 1 22 VAL CB 1 73 VAL H 5.440 . 5.940 6.147 5.479 6.778 0.838 15 4 "[ - . 1 * + *2]" 1
173 1 22 VAL CB 1 73 VAL HA 3.260 . 3.760 4.620 3.771 5.363 1.603 15 16 "[ ** ******-* *+****2]" 1
174 1 22 VAL CB 1 73 VAL HB 5.000 . 5.500 6.463 5.658 6.887 1.387 19 19 "[ ***********-*****+*]" 1
175 1 22 VAL CB 1 74 TRP H 4.280 . 4.780 4.847 4.224 5.315 0.535 19 1 "[ . 1 . +2]" 1
176 1 22 VAL CB 1 74 TRP QB 3.790 . 4.290 3.406 2.838 4.073 . 0 0 "[ . 1 . 2]" 1
177 1 22 VAL CB 1 74 TRP HD1 2.810 . 3.310 3.031 2.882 3.333 0.023 1 0 "[ . 1 . 2]" 1
178 1 22 VAL CB 1 74 TRP HE1 4.950 . 5.450 4.735 4.236 5.267 . 0 0 "[ . 1 . 2]" 1
179 1 22 VAL CB 1 74 TRP HE3 5.440 . 5.940 6.573 6.252 7.160 1.220 18 12 "[** *. ** 1- **. *+**]" 1
180 1 22 VAL CB 1 74 TRP HZ2 5.440 . 5.940 6.984 6.409 7.678 1.738 19 18 "[****- ***1********+*]" 1
181 1 22 VAL H 1 22 VAL HB 3.890 . 4.390 2.533 2.415 2.683 . 0 0 "[ . 1 . 2]" 1
182 1 22 VAL H 1 23 SER H 5.240 . 5.740 4.542 4.390 4.640 . 0 0 "[ . 1 . 2]" 1
183 1 22 VAL H 1 23 SER HA 5.500 . 6.000 5.528 5.495 5.580 . 0 0 "[ . 1 . 2]" 1
184 1 22 VAL H 1 74 TRP H 5.480 . 5.980 4.687 4.139 5.071 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL H 1 74 TRP HD1 5.500 . 6.000 4.668 4.064 5.442 . 0 0 "[ . 1 . 2]" 1
186 1 22 VAL HA 1 23 SER H 2.870 . 3.370 2.189 2.139 2.338 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL HA 1 23 SER QB 4.950 . 5.450 4.033 3.882 4.122 . 0 0 "[ . 1 . 2]" 1
188 1 22 VAL HA 1 74 TRP HD1 5.100 . 5.600 4.104 3.251 5.109 . 0 0 "[ . 1 . 2]" 1
189 1 22 VAL HB 1 74 TRP H 4.840 . 5.340 4.370 3.739 4.849 . 0 0 "[ . 1 . 2]" 1
190 1 22 VAL HB 1 74 TRP HA 4.570 . 5.070 4.028 3.249 4.567 . 0 0 "[ . 1 . 2]" 1
191 1 22 VAL HB 1 74 TRP QB 3.670 . 4.170 2.623 2.100 3.291 . 0 0 "[ . 1 . 2]" 1
192 1 22 VAL HB 1 74 TRP HD1 3.840 . 4.340 2.458 1.992 3.850 . 0 0 "[ . 1 . 2]" 1
193 1 22 VAL MG1 1 74 TRP H 6.530 . 7.030 3.097 2.488 4.417 . 0 0 "[ . 1 . 2]" 1
194 1 22 VAL MG1 1 74 TRP HA 4.610 . 5.110 2.921 1.969 3.836 . 0 0 "[ . 1 . 2]" 1
195 1 22 VAL MG1 1 74 TRP HB2 6.610 . 7.110 2.745 2.069 3.312 . 0 0 "[ . 1 . 2]" 1
196 1 22 VAL MG1 1 74 TRP HB3 6.610 . 7.110 4.111 3.402 4.591 . 0 0 "[ . 1 . 2]" 1
197 1 22 VAL MG1 1 74 TRP HD1 5.070 . 5.570 3.121 1.972 3.804 . 0 0 "[ . 1 . 2]" 1
198 1 22 VAL MG2 1 74 TRP H 6.530 . 7.030 4.928 2.665 5.461 . 0 0 "[ . 1 . 2]" 1
199 1 22 VAL MG2 1 74 TRP HA 4.610 . 5.110 3.702 3.029 3.907 . 0 0 "[ . 1 . 2]" 1
200 1 22 VAL MG2 1 74 TRP HB2 6.610 . 7.110 3.604 1.907 4.364 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL MG2 1 74 TRP HB3 6.610 . 7.110 4.699 3.266 5.212 . 0 0 "[ . 1 . 2]" 1
202 1 22 VAL MG2 1 74 TRP HD1 5.070 . 5.570 2.334 1.924 2.914 . 0 0 "[ . 1 . 2]" 1
203 1 23 SER H 1 23 SER HB2 3.280 . 3.780 2.775 2.111 3.093 . 0 0 "[ . 1 . 2]" 1
204 1 23 SER H 1 23 SER QB 3.200 . 3.700 2.423 2.083 2.694 . 0 0 "[ . 1 . 2]" 1
205 1 23 SER H 1 23 SER HB3 3.280 . 3.780 2.729 2.413 3.185 . 0 0 "[ . 1 . 2]" 1
206 1 23 SER H 1 24 LYS H 5.500 . 6.000 4.436 4.367 4.542 . 0 0 "[ . 1 . 2]" 1
207 1 23 SER H 1 74 TRP HD1 5.500 . 6.000 5.380 4.878 5.526 . 0 0 "[ . 1 . 2]" 1
208 1 23 SER HA 1 24 LYS H 2.750 . 3.250 2.617 2.325 2.717 . 0 0 "[ . 1 . 2]" 1
209 1 23 SER QB 1 24 LYS QB 6.500 . 7.000 4.525 4.158 4.876 . 0 0 "[ . 1 . 2]" 1
210 1 23 SER QB 1 26 THR H 5.600 . 6.100 2.924 1.933 3.668 . 0 0 "[ . 1 . 2]" 1
211 1 23 SER QB 1 27 GLY H 4.740 . 5.240 3.915 3.192 4.241 . 0 0 "[ . 1 . 2]" 1
212 1 23 SER QB 1 28 CYS H 5.940 . 6.440 5.215 4.856 5.311 . 0 0 "[ . 1 . 2]" 1
213 1 24 LYS H 1 24 LYS HB2 3.650 . 4.150 2.442 2.123 2.949 . 0 0 "[ . 1 . 2]" 1
214 1 24 LYS H 1 24 LYS QB 3.310 . 3.810 2.301 2.085 2.465 . 0 0 "[ . 1 . 2]" 1
215 1 24 LYS H 1 24 LYS HB3 3.650 . 4.150 3.135 2.421 3.656 . 0 0 "[ . 1 . 2]" 1
216 1 24 LYS H 1 24 LYS QD 5.220 . 5.720 4.364 3.574 4.657 . 0 0 "[ . 1 . 2]" 1
217 1 24 LYS H 1 24 LYS HG2 4.710 . 5.210 4.108 3.124 4.660 . 0 0 "[ . 1 . 2]" 1
218 1 24 LYS H 1 24 LYS QG 4.470 . 4.970 3.437 2.330 4.010 . 0 0 "[ . 1 . 2]" 1
219 1 24 LYS H 1 24 LYS HG3 4.710 . 5.210 3.787 2.364 4.629 . 0 0 "[ . 1 . 2]" 1
220 1 24 LYS H 1 25 SER H 3.480 . 3.980 2.340 2.111 2.886 . 0 0 "[ . 1 . 2]" 1
221 1 24 LYS HA 1 24 LYS QD 4.560 . 5.060 3.584 2.360 4.057 . 0 0 "[ . 1 . 2]" 1
222 1 24 LYS HA 1 24 LYS HG2 3.660 . 4.160 2.717 2.134 3.593 . 0 0 "[ . 1 . 2]" 1
223 1 24 LYS HA 1 24 LYS QG 3.320 . 3.820 2.304 2.100 2.476 . 0 0 "[ . 1 . 2]" 1
224 1 24 LYS HA 1 24 LYS HG3 3.660 . 4.160 2.918 2.245 3.646 . 0 0 "[ . 1 . 2]" 1
225 1 24 LYS QB 1 25 SER H 4.010 . 4.510 2.857 2.097 3.587 . 0 0 "[ . 1 . 2]" 1
226 1 25 SER H 1 25 SER QB 3.400 . 3.900 2.434 2.221 2.750 . 0 0 "[ . 1 . 2]" 1
227 1 25 SER H 1 26 THR H 3.270 . 3.770 2.829 1.967 3.221 . 0 0 "[ . 1 . 2]" 1
228 1 25 SER H 1 26 THR MG 6.610 . 7.110 4.823 3.467 5.455 . 0 0 "[ . 1 . 2]" 1
229 1 25 SER QB 1 26 THR H 4.030 . 4.530 2.372 1.940 2.975 . 0 0 "[ . 1 . 2]" 1
230 1 25 SER QB 1 26 THR MG 5.070 . 5.570 2.975 2.393 3.543 . 0 0 "[ . 1 . 2]" 1
231 1 26 THR H 1 26 THR HB 3.990 . 4.490 3.629 3.197 3.870 . 0 0 "[ . 1 . 2]" 1
232 1 26 THR H 1 26 THR MG 3.900 . 4.400 2.738 1.905 3.248 . 0 0 "[ . 1 . 2]" 1
233 1 26 THR H 1 27 GLY H 3.190 . 3.690 2.872 2.039 3.217 . 0 0 "[ . 1 . 2]" 1
234 1 26 THR H 1 27 GLY QA 5.990 . 6.490 4.098 3.874 4.383 . 0 0 "[ . 1 . 2]" 1
235 1 26 THR H 1 28 CYS H 5.400 . 5.900 5.136 4.061 5.402 . 0 0 "[ . 1 . 2]" 1
236 1 26 THR HB 1 28 CYS H 4.960 . 5.460 4.324 3.553 4.993 . 0 0 "[ . 1 . 2]" 1
237 1 26 THR MG 1 27 GLY H 6.180 . 6.680 3.769 1.878 4.368 . 0 0 "[ . 1 . 2]" 1
238 1 26 THR MG 1 28 CYS H 6.610 . 7.110 4.796 1.980 5.497 . 0 0 "[ . 1 . 2]" 1
239 1 26 THR MG 1 28 CYS QB 7.200 . 7.700 4.631 2.602 5.397 . 0 0 "[ . 1 . 2]" 1
240 1 27 GLY H 1 28 CYS H 3.310 . 3.810 2.616 2.118 3.313 . 0 0 "[ . 1 . 2]" 1
241 1 27 GLY H 1 28 CYS HA 5.270 . 5.770 4.952 4.199 5.214 . 0 0 "[ . 1 . 2]" 1
242 1 27 GLY H 1 28 CYS HB2 4.800 . 5.300 4.452 4.027 4.810 . 0 0 "[ . 1 . 2]" 1
243 1 27 GLY H 1 28 CYS QB 4.610 . 5.110 4.056 3.827 4.169 . 0 0 "[ . 1 . 2]" 1
244 1 27 GLY H 1 28 CYS HB3 4.800 . 5.300 4.717 4.246 4.829 . 0 0 "[ . 1 . 2]" 1
245 1 27 GLY QA 1 28 CYS QB 6.200 . 6.700 4.102 3.785 4.397 . 0 0 "[ . 1 . 2]" 1
246 1 28 CYS H 1 28 CYS HB2 3.800 . 4.300 3.045 2.408 3.578 . 0 0 "[ . 1 . 2]" 1
247 1 28 CYS H 1 28 CYS QB 3.670 . 4.170 2.625 2.237 2.978 . 0 0 "[ . 1 . 2]" 1
248 1 28 CYS H 1 28 CYS HB3 3.800 . 4.300 2.903 2.404 3.453 . 0 0 "[ . 1 . 2]" 1
249 1 28 CYS HA 1 74 TRP HD1 4.950 . 5.450 4.263 2.620 4.972 . 0 0 "[ . 1 . 2]" 1
250 1 28 CYS HA 1 74 TRP HE1 4.640 . 5.140 2.762 1.947 4.317 . 0 0 "[ . 1 . 2]" 1
251 1 28 CYS HA 1 81 CYS QB 4.840 . 5.340 2.563 1.949 3.904 . 0 0 "[ . 1 . 2]" 1
252 1 28 CYS QB 1 29 LYS H 4.850 . 5.350 3.548 2.504 4.045 . 0 0 "[ . 1 . 2]" 1
253 1 29 LYS HA 1 29 LYS QE 3.700 . 4.200 2.789 1.990 3.325 . 0 0 "[ . 1 . 2]" 1
254 1 29 LYS QB 1 62 CYS QB 6.530 . 7.030 4.371 3.487 5.205 . 0 0 "[ . 1 . 2]" 1
255 1 29 LYS QB 1 81 CYS QB 6.000 . 6.500 4.570 3.925 4.775 . 0 0 "[ . 1 . 2]" 1
256 1 29 LYS QD 1 40 TYR HD2 4.900 . 5.400 4.495 3.424 5.464 0.064 13 0 "[ . 1 . 2]" 1
257 1 29 LYS QD 1 62 CYS HB2 5.780 . 6.280 3.737 2.185 5.197 . 0 0 "[ . 1 . 2]" 1
258 1 29 LYS QD 1 62 CYS HB3 5.780 . 6.280 3.424 1.988 5.096 . 0 0 "[ . 1 . 2]" 1
259 1 29 LYS QE 1 40 TYR QD 6.930 . 7.430 3.886 3.381 4.717 . 0 0 "[ . 1 . 2]" 1
260 1 29 LYS QE 1 40 TYR HD2 4.420 . 4.920 3.570 2.043 4.692 . 0 0 "[ . 1 . 2]" 1
261 1 29 LYS QE 1 61 ALA MB 7.170 . 7.670 3.992 3.489 4.356 . 0 0 "[ . 1 . 2]" 1
262 1 29 LYS QE 1 62 CYS H 4.470 . 4.970 3.835 3.399 4.039 . 0 0 "[ . 1 . 2]" 1
263 1 31 GLU H 1 31 GLU HG2 5.500 . 6.000 3.334 2.036 4.989 . 0 0 "[ . 1 . 2]" 1
264 1 31 GLU H 1 31 GLU HG3 5.500 . 6.000 3.641 2.131 4.694 . 0 0 "[ . 1 . 2]" 1
265 1 31 GLU H 1 61 ALA MB 6.610 . 7.110 3.821 2.998 4.326 . 0 0 "[ . 1 . 2]" 1
266 1 31 GLU HA 1 32 CYS H 2.830 . 3.330 2.376 2.152 2.700 . 0 0 "[ . 1 . 2]" 1
267 1 31 GLU HA 1 61 ALA HA 3.150 . 3.650 2.732 2.008 3.153 . 0 0 "[ . 1 . 2]" 1
268 1 31 GLU HA 1 61 ALA MB 3.920 . 4.420 2.048 1.908 2.676 . 0 0 "[ . 1 . 2]" 1
269 1 31 GLU HA 1 62 CYS H 3.470 . 3.970 3.322 2.517 3.490 . 0 0 "[ . 1 . 2]" 1
270 1 31 GLU QB 1 32 CYS H 3.660 . 4.160 2.709 1.932 3.256 . 0 0 "[ . 1 . 2]" 1
271 1 31 GLU QB 1 32 CYS HA 5.650 . 6.150 4.518 4.030 4.930 . 0 0 "[ . 1 . 2]" 1
272 1 31 GLU QB 1 32 CYS QB 6.530 . 7.030 4.758 4.172 5.095 . 0 0 "[ . 1 . 2]" 1
273 1 31 GLU QB 1 61 ALA HA 5.660 . 6.160 3.557 2.371 4.613 . 0 0 "[ . 1 . 2]" 1
274 1 31 GLU QG 1 32 CYS H 4.590 . 5.090 3.342 1.912 4.099 . 0 0 "[ . 1 . 2]" 1
275 1 31 GLU HG2 1 32 CYS H 4.790 . 5.290 3.942 1.955 4.787 . 0 0 "[ . 1 . 2]" 1
276 1 31 GLU HG3 1 32 CYS H 4.790 . 5.290 3.759 2.548 4.758 . 0 0 "[ . 1 . 2]" 1
277 1 32 CYS H 1 61 ALA HA 3.720 . 4.220 2.908 2.109 3.708 . 0 0 "[ . 1 . 2]" 1
278 1 32 CYS H 1 61 ALA MB 5.320 . 5.820 3.522 2.753 4.393 . 0 0 "[ . 1 . 2]" 1
279 1 32 CYS H 1 62 CYS H 5.500 . 6.000 3.797 3.021 5.029 . 0 0 "[ . 1 . 2]" 1
280 1 32 CYS HA 1 40 TYR QD 6.170 . 6.670 5.163 4.072 5.506 . 0 0 "[ . 1 . 2]" 1
281 1 32 CYS QB 1 34 LYS H 5.330 . 5.830 3.797 2.857 4.754 . 0 0 "[ . 1 . 2]" 1
282 1 32 CYS QB 1 40 TYR QD 6.310 . 6.810 4.376 3.326 5.019 . 0 0 "[ . 1 . 2]" 1
283 1 33 LEU CG 1 33 LEU H 3.620 . 4.120 3.257 2.549 4.051 . 0 0 "[ . 1 . 2]" 1
284 1 33 LEU CG 1 34 LYS QB 5.930 . 6.430 5.390 3.795 6.183 . 0 0 "[ . 1 . 2]" 1
285 1 33 LEU H 1 33 LEU MD1 5.340 . 5.840 3.475 1.931 4.250 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU H 1 33 LEU MD2 5.340 . 5.840 3.399 2.058 4.288 . 0 0 "[ . 1 . 2]" 1
287 1 33 LEU H 1 33 LEU HG 4.590 . 5.090 3.334 2.236 4.530 . 0 0 "[ . 1 . 2]" 1
288 1 33 LEU QB 1 34 LYS H 4.470 . 4.970 2.405 1.939 3.748 . 0 0 "[ . 1 . 2]" 1
289 1 34 LYS H 1 34 LYS QG 4.290 . 4.790 3.358 2.438 3.916 . 0 0 "[ . 1 . 2]" 1
290 1 34 LYS QB 1 35 LEU H 4.680 . 5.180 3.040 2.020 4.007 . 0 0 "[ . 1 . 2]" 1
291 1 34 LYS QG 1 35 LEU H 4.680 . 5.180 3.625 2.082 4.183 . 0 0 "[ . 1 . 2]" 1
292 1 35 LEU CG 1 35 LEU H 4.170 . 4.670 4.028 3.730 4.397 . 0 0 "[ . 1 . 2]" 1
293 1 35 LEU CG 1 36 GLY H 4.650 . 5.150 4.174 3.398 4.850 . 0 0 "[ . 1 . 2]" 1
294 1 35 LEU CG 1 36 GLY QA 5.340 . 5.840 4.808 4.333 5.258 . 0 0 "[ . 1 . 2]" 1
295 1 35 LEU CG 1 58 TYR HA 3.920 . 4.420 4.782 3.916 5.774 1.354 9 6 "[ * . +*-* *. 2]" 1
296 1 35 LEU CG 1 58 TYR QB 5.930 . 6.430 6.176 5.717 7.182 0.752 9 2 "[ . +1 - . 2]" 1
297 1 35 LEU CG 1 59 ALA H 3.620 . 4.120 4.915 4.093 5.213 1.093 19 16 "[******* ** **-***+2]" 1
298 1 35 LEU CG 1 59 ALA HA 3.640 . 4.140 3.847 3.131 4.782 0.642 12 2 "[ . -1 + . 2]" 1
299 1 35 LEU CG 1 59 ALA MB 5.270 . 5.770 4.722 4.105 5.224 . 0 0 "[ . 1 . 2]" 1
300 1 35 LEU H 1 35 LEU HB2 3.200 . 3.700 2.365 2.043 3.091 . 0 0 "[ . 1 . 2]" 1
301 1 35 LEU H 1 35 LEU QB 3.010 . 3.510 2.236 2.021 2.688 . 0 0 "[ . 1 . 2]" 1
302 1 35 LEU H 1 35 LEU HB3 3.200 . 3.700 2.917 2.608 3.216 . 0 0 "[ . 1 . 2]" 1
303 1 35 LEU H 1 35 LEU HG 4.570 . 5.070 4.343 3.954 4.590 . 0 0 "[ . 1 . 2]" 1
304 1 35 LEU HA 1 35 LEU HG 4.060 . 4.560 2.399 2.113 2.722 . 0 0 "[ . 1 . 2]" 1
305 1 35 LEU HA 1 36 GLY H 3.100 . 3.600 2.257 2.145 2.572 . 0 0 "[ . 1 . 2]" 1
306 1 35 LEU HB2 1 36 GLY H 5.500 . 6.000 4.537 4.209 4.649 . 0 0 "[ . 1 . 2]" 1
307 1 35 LEU HB3 1 36 GLY H 5.500 . 6.000 4.100 3.191 4.389 . 0 0 "[ . 1 . 2]" 1
308 1 35 LEU MD1 1 36 GLY H 6.610 . 7.110 4.830 3.810 5.433 . 0 0 "[ . 1 . 2]" 1
309 1 35 LEU MD1 1 59 ALA HA 5.920 . 6.420 2.289 1.923 3.339 . 0 0 "[ . 1 . 2]" 1
310 1 35 LEU MD2 1 36 GLY H 6.610 . 7.110 3.600 2.131 5.273 . 0 0 "[ . 1 . 2]" 1
311 1 35 LEU MD2 1 59 ALA HA 5.920 . 6.420 3.853 2.256 4.920 . 0 0 "[ . 1 . 2]" 1
312 1 35 LEU HG 1 36 GLY H 4.440 . 4.940 3.874 2.667 4.440 . 0 0 "[ . 1 . 2]" 1
313 1 35 LEU HG 1 59 ALA H 4.540 . 5.040 4.417 3.285 4.549 . 0 0 "[ . 1 . 2]" 1
314 1 36 GLY H 1 56 TYR QD 6.170 . 6.670 5.072 4.224 5.501 . 0 0 "[ . 1 . 2]" 1
315 1 36 GLY H 1 57 CYS H 4.630 . 5.130 3.588 3.015 4.226 . 0 0 "[ . 1 . 2]" 1
316 1 36 GLY H 1 57 CYS HB2 4.430 . 4.930 2.980 1.947 4.299 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLY H 1 57 CYS QB 4.270 . 4.770 2.202 1.855 3.497 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLY H 1 57 CYS HB3 4.430 . 4.930 2.653 1.949 4.432 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLY QA 1 37 ASP H 3.400 . 3.900 2.457 2.115 2.865 . 0 0 "[ . 1 . 2]" 1
320 1 36 GLY QA 1 57 CYS QB 5.860 . 6.360 3.483 2.084 4.653 . 0 0 "[ . 1 . 2]" 1
321 1 36 GLY HA2 1 56 TYR QD 6.170 . 6.670 3.737 2.888 4.775 . 0 0 "[ . 1 . 2]" 1
322 1 36 GLY HA3 1 56 TYR QD 6.170 . 6.670 5.059 3.668 5.508 . 0 0 "[ . 1 . 2]" 1
323 1 37 ASP H 1 37 ASP HB2 3.980 . 4.480 2.881 2.164 3.648 . 0 0 "[ . 1 . 2]" 1
324 1 37 ASP H 1 37 ASP QB 3.630 . 4.130 2.613 2.144 3.255 . 0 0 "[ . 1 . 2]" 1
325 1 37 ASP H 1 37 ASP HB3 3.980 . 4.480 3.268 2.633 4.038 . 0 0 "[ . 1 . 2]" 1
326 1 37 ASP H 1 38 ASN H 4.500 . 5.000 3.480 2.331 4.498 . 0 0 "[ . 1 . 2]" 1
327 1 37 ASP HA 1 38 ASN H 3.000 . 3.500 2.538 2.141 2.973 . 0 0 "[ . 1 . 2]" 1
328 1 37 ASP HA 1 38 ASN HA 5.500 . 6.000 4.420 4.302 4.721 . 0 0 "[ . 1 . 2]" 1
329 1 37 ASP QB 1 38 ASN H 4.840 . 5.340 3.764 1.929 4.036 . 0 0 "[ . 1 . 2]" 1
330 1 38 ASN H 1 38 ASN HB2 3.930 . 4.430 3.232 2.380 3.949 . 0 0 "[ . 1 . 2]" 1
331 1 38 ASN H 1 38 ASN HB3 3.930 . 4.430 3.274 2.572 3.963 . 0 0 "[ . 1 . 2]" 1
332 1 38 ASN HA 1 39 ASP H 3.060 . 3.560 2.293 2.141 2.689 . 0 0 "[ . 1 . 2]" 1
333 1 38 ASN HA 1 39 ASP QB 5.190 . 5.690 4.356 3.940 4.617 . 0 0 "[ . 1 . 2]" 1
334 1 38 ASN HA 1 40 TYR H 4.190 . 4.690 3.844 3.081 4.265 . 0 0 "[ . 1 . 2]" 1
335 1 39 ASP H 1 39 ASP QB 3.670 . 4.170 2.729 2.362 3.178 . 0 0 "[ . 1 . 2]" 1
336 1 39 ASP H 1 40 TYR H 4.420 . 4.920 2.223 1.894 2.742 . 0 0 "[ . 1 . 2]" 1
337 1 39 ASP HA 1 42 LEU CG 4.590 . 5.090 4.777 3.784 5.617 0.527 19 1 "[ . 1 . +2]" 1
338 1 39 ASP HA 1 42 LEU QB 4.300 . 4.800 2.759 1.978 3.470 . 0 0 "[ . 1 . 2]" 1
339 1 39 ASP QB 1 40 TYR H 4.210 . 4.710 3.629 2.959 3.825 . 0 0 "[ . 1 . 2]" 1
340 1 39 ASP QB 1 42 LEU CG 5.010 . 5.510 5.209 3.979 5.782 0.272 6 0 "[ . 1 . 2]" 1
341 1 39 ASP QB 1 42 LEU HB2 5.060 . 5.560 3.817 2.447 4.517 . 0 0 "[ . 1 . 2]" 1
342 1 39 ASP QB 1 42 LEU QB 5.000 . 5.500 3.321 2.262 3.753 . 0 0 "[ . 1 . 2]" 1
343 1 39 ASP QB 1 42 LEU HB3 5.060 . 5.560 3.734 2.665 4.303 . 0 0 "[ . 1 . 2]" 1
344 1 39 ASP QB 1 42 LEU MD1 7.410 . 7.910 4.754 3.463 5.501 . 0 0 "[ . 1 . 2]" 1
345 1 39 ASP QB 1 42 LEU MD2 7.410 . 7.910 4.399 3.208 5.471 . 0 0 "[ . 1 . 2]" 1
346 1 39 ASP QB 1 43 ARG H 5.850 . 6.350 4.451 3.095 5.200 . 0 0 "[ . 1 . 2]" 1
347 1 40 TYR H 1 40 TYR HB2 3.210 . 3.710 2.637 2.216 2.884 . 0 0 "[ . 1 . 2]" 1
348 1 40 TYR H 1 40 TYR HB3 3.210 . 3.710 2.480 2.365 2.900 . 0 0 "[ . 1 . 2]" 1
349 1 40 TYR H 1 40 TYR QD 4.930 . 5.430 4.167 4.083 4.205 . 0 0 "[ . 1 . 2]" 1
350 1 40 TYR H 1 41 CYS H 3.110 . 3.610 2.583 2.265 2.907 . 0 0 "[ . 1 . 2]" 1
351 1 40 TYR HA 1 40 TYR QD 3.630 . 4.130 2.764 2.233 3.032 . 0 0 "[ . 1 . 2]" 1
352 1 40 TYR HA 1 42 LEU H 4.490 . 4.990 4.050 3.660 4.336 . 0 0 "[ . 1 . 2]" 1
353 1 40 TYR HA 1 43 ARG H 4.080 . 4.580 3.711 3.396 4.048 . 0 0 "[ . 1 . 2]" 1
354 1 40 TYR HA 1 43 ARG QB 5.340 . 5.840 3.740 3.347 4.385 . 0 0 "[ . 1 . 2]" 1
355 1 40 TYR HA 1 43 ARG HG2 3.750 . 4.250 2.039 1.990 2.420 . 0 0 "[ . 1 . 2]" 1
356 1 40 TYR HA 1 43 ARG HG3 3.520 . 4.020 3.345 2.909 3.515 . 0 0 "[ . 1 . 2]" 1
357 1 40 TYR QB 1 41 CYS H 3.970 . 4.470 2.812 2.136 3.106 . 0 0 "[ . 1 . 2]" 1
358 1 40 TYR HB2 1 41 CYS H 4.320 . 4.820 4.039 3.403 4.249 . 0 0 "[ . 1 . 2]" 1
359 1 40 TYR HB3 1 41 CYS H 4.320 . 4.820 2.872 2.158 3.193 . 0 0 "[ . 1 . 2]" 1
360 1 40 TYR QD 1 41 CYS H 4.840 . 5.340 3.790 3.354 4.290 . 0 0 "[ . 1 . 2]" 1
361 1 40 TYR QD 1 41 CYS HA 5.010 . 5.510 3.638 3.174 4.464 . 0 0 "[ . 1 . 2]" 1
362 1 40 TYR QD 1 43 ARG QB 6.730 . 7.230 5.176 4.607 5.376 . 0 0 "[ . 1 . 2]" 1
363 1 40 TYR QD 1 43 ARG HG3 6.170 . 6.670 4.042 3.179 4.647 . 0 0 "[ . 1 . 2]" 1
364 1 40 TYR QD 1 44 GLU H 6.170 . 6.670 4.866 4.040 5.448 . 0 0 "[ . 1 . 2]" 1
365 1 41 CYS H 1 41 CYS HB2 4.090 . 4.590 2.479 2.117 2.672 . 0 0 "[ . 1 . 2]" 1
366 1 41 CYS H 1 41 CYS HB3 4.090 . 4.590 3.501 2.671 3.644 . 0 0 "[ . 1 . 2]" 1
367 1 41 CYS HA 1 44 GLU H 3.970 . 4.470 3.652 3.088 3.996 . 0 0 "[ . 1 . 2]" 1
368 1 41 CYS HA 1 44 GLU QB 4.670 . 5.170 3.077 2.059 3.598 . 0 0 "[ . 1 . 2]" 1
369 1 41 CYS HA 1 45 CYS H 4.820 . 5.320 4.096 2.961 4.821 . 0 0 "[ . 1 . 2]" 1
370 1 41 CYS QB 1 42 LEU CG 5.680 . 6.180 5.166 4.780 5.856 . 0 0 "[ . 1 . 2]" 1
371 1 41 CYS QB 1 42 LEU H 4.220 . 4.720 2.985 2.783 3.311 . 0 0 "[ . 1 . 2]" 1
372 1 41 CYS QB 1 56 TYR H 4.800 . 5.300 3.746 3.173 4.278 . 0 0 "[ . 1 . 2]" 1
373 1 41 CYS QB 1 56 TYR HA 4.480 . 4.980 3.005 2.215 3.627 . 0 0 "[ . 1 . 2]" 1
374 1 41 CYS QB 1 56 TYR QD 6.410 . 6.910 4.882 4.392 5.091 . 0 0 "[ . 1 . 2]" 1
375 1 41 CYS QB 1 63 TRP H 5.990 . 6.490 4.249 3.243 5.100 . 0 0 "[ . 1 . 2]" 1
376 1 41 CYS HB2 1 42 LEU H 4.450 . 4.950 3.177 2.840 4.132 . 0 0 "[ . 1 . 2]" 1
377 1 41 CYS HB3 1 42 LEU H 4.450 . 4.950 3.901 2.992 4.258 . 0 0 "[ . 1 . 2]" 1
378 1 42 LEU CG 1 42 LEU H 4.120 . 4.620 3.924 3.704 4.167 . 0 0 "[ . 1 . 2]" 1
379 1 42 LEU CG 1 42 LEU HA 2.940 . 3.440 2.618 2.577 2.868 . 0 0 "[ . 1 . 2]" 1
380 1 42 LEU CG 1 43 ARG H 4.780 . 5.280 4.705 3.726 5.115 . 0 0 "[ . 1 . 2]" 1
381 1 42 LEU CG 1 43 ARG HA 5.440 . 5.940 5.623 4.420 6.090 0.150 8 0 "[ . 1 . 2]" 1
382 1 42 LEU CG 1 54 GLY H 5.440 . 5.940 6.557 5.656 7.297 1.357 18 12 "[ * .* - 1****.**+**]" 1
383 1 42 LEU CG 1 54 GLY QA 3.820 . 4.320 3.799 2.950 4.624 0.304 11 0 "[ . 1 . 2]" 1
384 1 42 LEU CG 1 55 GLY H 3.480 . 3.980 4.128 3.427 4.960 0.980 11 4 "[ . * 1+ . -* 2]" 1
385 1 42 LEU CG 1 56 TYR QD 4.360 . 4.860 5.954 5.118 6.334 1.474 4 18 "[***+****** ***.****-]" 1
386 1 42 LEU CG 1 56 TYR HD1 4.360 . 4.860 5.137 4.345 5.572 0.712 1 6 "[+ *. * * . -* 2]" 1
387 1 42 LEU H 1 42 LEU HB2 3.300 . 3.800 2.264 2.046 2.666 . 0 0 "[ . 1 . 2]" 1
388 1 42 LEU H 1 42 LEU QB 2.790 . 3.290 2.187 2.024 2.365 . 0 0 "[ . 1 . 2]" 1
389 1 42 LEU H 1 42 LEU HB3 3.300 . 3.800 3.094 2.411 3.376 . 0 0 "[ . 1 . 2]" 1
390 1 42 LEU H 1 42 LEU HG 4.800 . 5.300 4.319 3.555 4.533 . 0 0 "[ . 1 . 2]" 1
391 1 42 LEU H 1 43 ARG HG2 3.930 . 4.430 3.749 3.133 3.931 . 0 0 "[ . 1 . 2]" 1
392 1 42 LEU H 1 45 CYS H 5.500 . 6.000 4.750 4.361 5.139 . 0 0 "[ . 1 . 2]" 1
393 1 42 LEU H 1 45 CYS QB 5.990 . 6.490 5.049 4.732 5.357 . 0 0 "[ . 1 . 2]" 1
394 1 42 LEU HA 1 42 LEU HG 3.530 . 4.030 2.569 2.121 3.632 . 0 0 "[ . 1 . 2]" 1
395 1 42 LEU HA 1 45 CYS H 4.700 . 5.200 3.725 3.037 4.598 . 0 0 "[ . 1 . 2]" 1
396 1 42 LEU HA 1 45 CYS QB 4.600 . 5.100 3.314 2.578 4.052 . 0 0 "[ . 1 . 2]" 1
397 1 42 LEU HA 1 55 GLY H 4.440 . 4.940 3.701 2.089 4.444 . 0 0 "[ . 1 . 2]" 1
398 1 42 LEU QB 1 43 ARG H 4.400 . 4.900 2.995 2.179 3.609 . 0 0 "[ . 1 . 2]" 1
399 1 42 LEU MD1 1 43 ARG H 6.610 . 7.110 4.782 4.514 5.425 . 0 0 "[ . 1 . 2]" 1
400 1 42 LEU MD2 1 43 ARG H 6.610 . 7.110 4.517 3.527 5.480 . 0 0 "[ . 1 . 2]" 1
401 1 42 LEU HG 1 55 GLY H 4.360 . 4.860 3.831 2.560 4.407 . 0 0 "[ . 1 . 2]" 1
402 1 43 ARG H 1 43 ARG HB2 4.000 . 4.500 3.690 3.564 3.834 . 0 0 "[ . 1 . 2]" 1
403 1 43 ARG H 1 43 ARG HB3 4.000 . 4.500 2.744 2.343 3.220 . 0 0 "[ . 1 . 2]" 1
404 1 43 ARG H 1 43 ARG HG2 3.490 . 3.990 2.308 1.999 2.482 . 0 0 "[ . 1 . 2]" 1
405 1 43 ARG H 1 43 ARG HG3 3.860 . 4.360 3.322 2.896 3.739 . 0 0 "[ . 1 . 2]" 1
406 1 43 ARG H 1 44 GLU H 3.500 . 4.000 2.250 1.881 2.771 . 0 0 "[ . 1 . 2]" 1
407 1 43 ARG H 1 45 CYS QB 5.990 . 6.490 4.875 4.289 5.350 . 0 0 "[ . 1 . 2]" 1
408 1 43 ARG HA 1 43 ARG HB2 2.890 . 3.390 2.407 2.368 2.479 . 0 0 "[ . 1 . 2]" 1
409 1 43 ARG HA 1 43 ARG HB3 2.890 . 3.390 2.492 2.418 2.536 . 0 0 "[ . 1 . 2]" 1
410 1 43 ARG HA 1 43 ARG HG2 3.860 . 4.360 3.784 3.692 3.879 . 0 0 "[ . 1 . 2]" 1
411 1 43 ARG HA 1 46 LYS H 4.210 . 4.710 4.000 3.510 4.219 . 0 0 "[ . 1 . 2]" 1
412 1 43 ARG QB 1 44 GLU H 4.140 . 4.640 3.528 3.358 3.671 . 0 0 "[ . 1 . 2]" 1
413 1 43 ARG HB2 1 44 GLU H 4.240 . 4.740 3.961 3.646 4.195 . 0 0 "[ . 1 . 2]" 1
414 1 43 ARG HB3 1 44 GLU H 4.240 . 4.740 3.966 3.881 4.066 . 0 0 "[ . 1 . 2]" 1
415 1 43 ARG HG3 1 44 GLU H 4.430 . 4.930 2.589 2.208 3.083 . 0 0 "[ . 1 . 2]" 1
416 1 43 ARG HG3 1 44 GLU HA 3.510 . 4.010 3.399 3.230 3.526 . 0 0 "[ . 1 . 2]" 1
417 1 43 ARG HG3 1 45 CYS H 5.190 . 5.690 4.820 4.537 5.137 . 0 0 "[ . 1 . 2]" 1
418 1 44 GLU H 1 44 GLU HB2 3.640 . 4.140 2.257 2.143 2.522 . 0 0 "[ . 1 . 2]" 1
419 1 44 GLU H 1 44 GLU QB 3.510 . 4.010 2.221 2.123 2.477 . 0 0 "[ . 1 . 2]" 1
420 1 44 GLU H 1 44 GLU HB3 3.640 . 4.140 3.399 2.767 3.652 . 0 0 "[ . 1 . 2]" 1
421 1 44 GLU H 1 45 CYS H 3.480 . 3.980 2.375 2.161 2.815 . 0 0 "[ . 1 . 2]" 1
422 1 44 GLU HA 1 46 LYS H 3.850 . 4.350 3.679 3.510 3.869 . 0 0 "[ . 1 . 2]" 1
423 1 44 GLU QB 1 45 CYS H 3.860 . 4.360 2.842 2.373 3.028 . 0 0 "[ . 1 . 2]" 1
424 1 44 GLU HB2 1 45 CYS H 3.940 . 4.440 3.117 2.515 3.906 . 0 0 "[ . 1 . 2]" 1
425 1 44 GLU HB3 1 45 CYS H 3.940 . 4.440 3.436 2.894 3.925 . 0 0 "[ . 1 . 2]" 1
426 1 45 CYS H 1 45 CYS QB 3.200 . 3.700 2.263 2.095 2.527 . 0 0 "[ . 1 . 2]" 1
427 1 45 CYS H 1 46 LYS H 3.570 . 4.070 2.672 2.574 2.831 . 0 0 "[ . 1 . 2]" 1
428 1 45 CYS H 1 47 GLN H 5.500 . 6.000 4.591 4.306 5.038 . 0 0 "[ . 1 . 2]" 1
429 1 45 CYS HA 1 47 GLN H 4.870 . 5.370 3.906 3.131 4.820 . 0 0 "[ . 1 . 2]" 1
430 1 45 CYS HA 1 48 GLN H 4.860 . 5.360 4.445 3.573 4.903 . 0 0 "[ . 1 . 2]" 1
431 1 45 CYS HA 1 49 TYR H 5.500 . 6.000 4.080 3.123 5.041 . 0 0 "[ . 1 . 2]" 1
432 1 45 CYS HA 1 49 TYR QD 4.640 . 5.140 3.385 2.094 4.147 . 0 0 "[ . 1 . 2]" 1
433 1 45 CYS HA 1 50 GLY H 5.500 . 6.000 5.087 4.256 5.517 . 0 0 "[ . 1 . 2]" 1
434 1 45 CYS HA 1 67 LEU MD1 6.610 . 7.110 4.857 4.148 5.481 . 0 0 "[ . 1 . 2]" 1
435 1 45 CYS HA 1 67 LEU MD2 6.610 . 7.110 5.469 5.200 5.517 . 0 0 "[ . 1 . 2]" 1
436 1 45 CYS QB 1 46 LYS H 4.440 . 4.940 3.625 3.042 3.824 . 0 0 "[ . 1 . 2]" 1
437 1 45 CYS QB 1 49 TYR QD 6.730 . 7.230 4.202 2.458 5.331 . 0 0 "[ . 1 . 2]" 1
438 1 45 CYS QB 1 64 CYS HA 5.990 . 6.490 4.489 3.924 4.907 . 0 0 "[ . 1 . 2]" 1
439 1 45 CYS QB 1 64 CYS QB 6.340 . 6.840 3.512 2.945 4.018 . 0 0 "[ . 1 . 2]" 1
440 1 45 CYS QB 1 67 LEU CG 5.930 . 6.430 5.641 4.967 6.729 0.299 20 0 "[ . 1 . 2]" 1
441 1 46 LYS H 1 46 LYS QB 3.490 . 3.990 2.578 2.264 2.966 . 0 0 "[ . 1 . 2]" 1
442 1 46 LYS H 1 47 GLN H 3.080 . 3.580 2.237 1.892 2.816 . 0 0 "[ . 1 . 2]" 1
443 1 46 LYS QB 1 47 GLN H 4.410 . 4.910 3.332 2.093 3.972 . 0 0 "[ . 1 . 2]" 1
444 1 47 GLN H 1 47 GLN HG2 3.560 . 4.060 3.094 2.230 3.559 . 0 0 "[ . 1 . 2]" 1
445 1 47 GLN H 1 47 GLN QG 3.240 . 3.740 2.590 2.202 2.894 . 0 0 "[ . 1 . 2]" 1
446 1 47 GLN H 1 47 GLN HG3 3.560 . 4.060 3.043 2.277 3.566 . 0 0 "[ . 1 . 2]" 1
447 1 47 GLN H 1 48 GLN H 3.510 . 4.010 2.584 2.314 3.196 . 0 0 "[ . 1 . 2]" 1
448 1 47 GLN HA 1 47 GLN QG 3.100 . 3.600 2.478 2.222 2.740 . 0 0 "[ . 1 . 2]" 1
449 1 47 GLN QB 1 48 GLN HA 5.990 . 6.490 4.067 3.743 5.102 . 0 0 "[ . 1 . 2]" 1
450 1 47 GLN QG 1 48 GLN H 5.120 . 5.620 3.948 3.567 4.533 . 0 0 "[ . 1 . 2]" 1
451 1 48 GLN H 1 48 GLN HB2 3.990 . 4.490 2.827 2.127 3.812 . 0 0 "[ . 1 . 2]" 1
452 1 48 GLN H 1 48 GLN QB 3.700 . 4.200 2.620 2.108 3.397 . 0 0 "[ . 1 . 2]" 1
453 1 48 GLN H 1 48 GLN HB3 3.990 . 4.490 3.564 2.672 4.034 . 0 0 "[ . 1 . 2]" 1
454 1 48 GLN H 1 48 GLN HG2 4.370 . 4.870 3.128 1.944 4.314 . 0 0 "[ . 1 . 2]" 1
455 1 48 GLN H 1 48 GLN QG 3.920 . 4.420 2.667 1.921 3.389 . 0 0 "[ . 1 . 2]" 1
456 1 48 GLN H 1 48 GLN HG3 4.370 . 4.870 3.346 2.233 4.368 . 0 0 "[ . 1 . 2]" 1
457 1 48 GLN H 1 49 TYR H 3.260 . 3.760 2.504 1.881 3.117 . 0 0 "[ . 1 . 2]" 1
458 1 48 GLN HA 1 48 GLN HG2 3.870 . 4.370 3.095 2.146 3.790 . 0 0 "[ . 1 . 2]" 1
459 1 48 GLN HA 1 48 GLN QG 3.810 . 4.310 2.762 2.102 3.339 . 0 0 "[ . 1 . 2]" 1
460 1 48 GLN HA 1 48 GLN HG3 3.870 . 4.370 3.362 2.527 3.834 . 0 0 "[ . 1 . 2]" 1
461 1 48 GLN HA 1 49 TYR QD 6.170 . 6.670 4.953 4.111 5.466 . 0 0 "[ . 1 . 2]" 1
462 1 48 GLN QB 1 49 TYR H 4.870 . 5.370 2.968 1.975 4.012 . 0 0 "[ . 1 . 2]" 1
463 1 48 GLN QB 1 49 TYR QD 5.080 . 5.580 3.479 2.624 4.039 . 0 0 "[ . 1 . 2]" 1
464 1 48 GLN QG 1 49 TYR QD 6.730 . 7.230 4.515 2.214 5.248 . 0 0 "[ . 1 . 2]" 1
465 1 49 TYR H 1 49 TYR HB2 3.990 . 4.490 2.629 2.167 3.759 . 0 0 "[ . 1 . 2]" 1
466 1 49 TYR H 1 49 TYR QB 3.720 . 4.220 2.557 2.147 3.234 . 0 0 "[ . 1 . 2]" 1
467 1 49 TYR H 1 49 TYR HB3 3.990 . 4.490 3.668 3.479 3.832 . 0 0 "[ . 1 . 2]" 1
468 1 49 TYR H 1 49 TYR QD 4.700 . 5.200 2.934 2.045 3.668 . 0 0 "[ . 1 . 2]" 1
469 1 49 TYR H 1 50 GLY H 3.180 . 3.680 2.484 1.898 3.189 . 0 0 "[ . 1 . 2]" 1
470 1 49 TYR HA 1 49 TYR QD 3.470 . 3.970 2.693 2.104 3.598 . 0 0 "[ . 1 . 2]" 1
471 1 49 TYR QB 1 67 LEU CG 5.310 . 5.810 4.496 3.471 6.486 0.676 20 1 "[ . 1 . +]" 1
472 1 49 TYR QB 1 71 ALA MB 6.540 . 7.040 3.895 2.774 4.664 . 0 0 "[ . 1 . 2]" 1
473 1 49 TYR HB2 1 71 ALA MB 6.610 . 7.110 4.993 3.685 5.504 . 0 0 "[ . 1 . 2]" 1
474 1 49 TYR HB3 1 71 ALA MB 6.610 . 7.110 4.085 2.868 5.052 . 0 0 "[ . 1 . 2]" 1
475 1 49 TYR QD 1 50 GLY H 6.170 . 6.670 4.152 2.886 4.968 . 0 0 "[ . 1 . 2]" 1
476 1 49 TYR QD 1 68 TYR H 5.790 . 6.290 4.521 3.746 5.180 . 0 0 "[ . 1 . 2]" 1
477 1 49 TYR QD 1 71 ALA HA 5.160 . 5.660 4.044 2.726 4.599 . 0 0 "[ . 1 . 2]" 1
478 1 49 TYR QD 1 71 ALA MB 4.890 . 5.390 2.947 1.923 3.632 . 0 0 "[ . 1 . 2]" 1
479 1 50 GLY H 1 51 LYS H 4.690 . 5.190 3.849 2.647 4.541 . 0 0 "[ . 1 . 2]" 1
480 1 50 GLY QA 1 51 LYS H 3.180 . 3.680 2.291 2.111 2.823 . 0 0 "[ . 1 . 2]" 1
481 1 51 LYS H 1 51 LYS QB 3.320 . 3.820 2.571 2.189 3.051 . 0 0 "[ . 1 . 2]" 1
482 1 51 LYS H 1 51 LYS QG 4.680 . 5.180 3.354 1.954 4.242 . 0 0 "[ . 1 . 2]" 1
483 1 51 LYS H 1 52 SER H 3.500 . 4.000 2.851 1.975 3.756 . 0 0 "[ . 1 . 2]" 1
484 1 51 LYS HA 1 51 LYS QG 2.970 . 3.470 2.413 2.132 2.583 . 0 0 "[ . 1 . 2]" 1
485 1 51 LYS HA 1 53 SER H 4.550 . 5.050 4.125 3.671 4.562 . 0 0 "[ . 1 . 2]" 1
486 1 51 LYS QB 1 52 SER H 4.370 . 4.870 2.870 1.972 3.909 . 0 0 "[ . 1 . 2]" 1
487 1 51 LYS QE 1 52 SER H 4.950 . 5.450 3.971 2.794 4.422 . 0 0 "[ . 1 . 2]" 1
488 1 51 LYS QG 1 52 SER QB 6.730 . 7.230 4.815 2.755 5.341 . 0 0 "[ . 1 . 2]" 1
489 1 51 LYS QG 1 53 SER H 6.170 . 6.670 5.143 1.919 5.550 . 0 0 "[ . 1 . 2]" 1
490 1 52 SER H 1 52 SER HB2 3.750 . 4.250 3.039 2.510 3.844 . 0 0 "[ . 1 . 2]" 1
491 1 52 SER H 1 52 SER QB 3.410 . 3.910 2.616 2.173 3.046 . 0 0 "[ . 1 . 2]" 1
492 1 52 SER H 1 52 SER HB3 3.750 . 4.250 3.000 2.249 3.744 . 0 0 "[ . 1 . 2]" 1
493 1 52 SER H 1 53 SER H 2.820 . 3.320 2.658 2.333 2.953 . 0 0 "[ . 1 . 2]" 1
494 1 52 SER HA 1 53 SER H 3.560 . 4.060 3.079 2.776 3.486 . 0 0 "[ . 1 . 2]" 1
495 1 53 SER H 1 53 SER HB2 3.780 . 4.280 2.888 2.100 3.753 . 0 0 "[ . 1 . 2]" 1
496 1 53 SER H 1 53 SER QB 3.400 . 3.900 2.440 2.081 2.823 . 0 0 "[ . 1 . 2]" 1
497 1 53 SER H 1 53 SER HB3 3.780 . 4.280 3.055 2.372 3.798 . 0 0 "[ . 1 . 2]" 1
498 1 53 SER HA 1 54 GLY H 2.640 . 3.140 2.483 2.142 2.651 . 0 0 "[ . 1 . 2]" 1
499 1 53 SER HA 1 66 HIS QB 3.330 . 3.830 2.392 1.934 3.029 . 0 0 "[ . 1 . 2]" 1
500 1 53 SER QB 1 54 GLY H 4.310 . 4.810 2.487 1.936 3.825 . 0 0 "[ . 1 . 2]" 1
501 1 53 SER QB 1 67 LEU CG 4.610 . 5.110 5.422 4.738 6.458 1.348 17 5 "[ . 1* * . +- *]" 1
502 1 54 GLY H 1 66 HIS QB 4.280 . 4.780 2.975 1.947 3.810 . 0 0 "[ . 1 . 2]" 1
503 1 54 GLY QA 1 55 GLY H 3.510 . 4.010 2.259 2.126 2.708 . 0 0 "[ . 1 . 2]" 1
504 1 54 GLY QA 1 56 TYR QD 6.730 . 7.230 4.938 3.851 5.338 . 0 0 "[ . 1 . 2]" 1
505 1 55 GLY H 1 56 TYR H 5.500 . 6.000 4.401 3.991 4.622 . 0 0 "[ . 1 . 2]" 1
506 1 55 GLY H 1 56 TYR QD 6.170 . 6.670 4.648 2.909 5.253 . 0 0 "[ . 1 . 2]" 1
507 1 55 GLY H 1 64 CYS HA 4.570 . 5.070 4.149 3.088 4.571 . 0 0 "[ . 1 . 2]" 1
508 1 55 GLY QA 1 56 TYR H 3.140 . 3.640 2.236 2.140 2.283 . 0 0 "[ . 1 . 2]" 1
509 1 55 GLY QA 1 56 TYR QD 5.220 . 5.720 3.389 2.886 4.042 . 0 0 "[ . 1 . 2]" 1
510 1 55 GLY QA 1 58 TYR HD2 6.730 . 7.230 4.846 4.183 5.349 . 0 0 "[ . 1 . 2]" 1
511 1 55 GLY QA 1 63 TRP HD1 5.990 . 6.490 4.630 4.210 5.084 . 0 0 "[ . 1 . 2]" 1
512 1 55 GLY QA 1 64 CYS HA 4.160 . 4.660 2.052 1.895 2.388 . 0 0 "[ . 1 . 2]" 1
513 1 55 GLY QA 1 65 THR H 4.610 . 5.110 2.601 1.922 3.490 . 0 0 "[ . 1 . 2]" 1
514 1 55 GLY QA 1 65 THR MG 5.420 . 5.920 2.902 2.064 3.826 . 0 0 "[ . 1 . 2]" 1
515 1 56 TYR H 1 56 TYR QD 4.740 . 5.240 3.492 3.073 3.782 . 0 0 "[ . 1 . 2]" 1
516 1 56 TYR H 1 58 TYR QD 6.170 . 6.670 3.852 3.334 4.253 . 0 0 "[ . 1 . 2]" 1
517 1 56 TYR H 1 58 TYR HD2 6.170 . 6.670 4.064 3.700 4.506 . 0 0 "[ . 1 . 2]" 1
518 1 56 TYR H 1 62 CYS HA 5.460 . 5.960 5.128 4.723 5.446 . 0 0 "[ . 1 . 2]" 1
519 1 56 TYR H 1 63 TRP H 4.180 . 4.680 3.804 3.357 4.141 . 0 0 "[ . 1 . 2]" 1
520 1 56 TYR H 1 63 TRP HB2 5.500 . 6.000 5.438 5.218 5.511 . 0 0 "[ . 1 . 2]" 1
521 1 56 TYR H 1 63 TRP HB3 5.020 . 5.520 3.887 3.686 4.052 . 0 0 "[ . 1 . 2]" 1
522 1 56 TYR H 1 63 TRP HD1 5.500 . 6.000 4.419 3.995 4.740 . 0 0 "[ . 1 . 2]" 1
523 1 56 TYR H 1 64 CYS HA 4.200 . 4.700 3.459 2.851 4.054 . 0 0 "[ . 1 . 2]" 1
524 1 56 TYR HA 1 57 CYS H 3.360 . 3.860 2.506 2.279 2.701 . 0 0 "[ . 1 . 2]" 1
525 1 56 TYR HA 1 58 TYR QD 6.170 . 6.670 5.090 4.851 5.309 . 0 0 "[ . 1 . 2]" 1
526 1 56 TYR HB2 1 57 CYS H 3.960 . 4.460 3.550 2.950 3.927 . 0 0 "[ . 1 . 2]" 1
527 1 56 TYR HB2 1 58 TYR QD 6.170 . 6.670 3.245 2.920 3.506 . 0 0 "[ . 1 . 2]" 1
528 1 56 TYR HB3 1 57 CYS H 3.930 . 4.430 2.239 1.951 2.748 . 0 0 "[ . 1 . 2]" 1
529 1 56 TYR HB3 1 57 CYS QB 5.210 . 5.710 4.031 3.798 4.411 . 0 0 "[ . 1 . 2]" 1
530 1 56 TYR HB3 1 58 TYR QD 6.170 . 6.670 3.944 3.268 4.851 . 0 0 "[ . 1 . 2]" 1
531 1 56 TYR QD 1 57 CYS H 4.740 . 5.240 3.372 3.032 3.812 . 0 0 "[ . 1 . 2]" 1
532 1 56 TYR QD 1 58 TYR HD2 5.980 . 6.480 4.098 3.002 4.754 . 0 0 "[ . 1 . 2]" 1
533 1 57 CYS H 1 57 CYS HB2 3.750 . 4.250 2.446 2.112 2.822 . 0 0 "[ . 1 . 2]" 1
534 1 57 CYS H 1 57 CYS QB 3.680 . 4.180 2.233 2.092 2.353 . 0 0 "[ . 1 . 2]" 1
535 1 57 CYS H 1 57 CYS HB3 3.750 . 4.250 2.984 2.377 3.614 . 0 0 "[ . 1 . 2]" 1
536 1 57 CYS H 1 58 TYR H 4.630 . 5.130 4.070 3.809 4.457 . 0 0 "[ . 1 . 2]" 1
537 1 57 CYS HA 1 58 TYR H 2.920 . 3.420 2.275 2.143 2.391 . 0 0 "[ . 1 . 2]" 1
538 1 57 CYS HA 1 63 TRP H 4.030 . 4.530 3.063 2.517 3.569 . 0 0 "[ . 1 . 2]" 1
539 1 58 TYR H 1 58 TYR HB2 4.080 . 4.580 2.169 2.111 2.327 . 0 0 "[ . 1 . 2]" 1
540 1 58 TYR H 1 58 TYR HB3 4.080 . 4.580 3.468 3.399 3.550 . 0 0 "[ . 1 . 2]" 1
541 1 58 TYR H 1 61 ALA H 4.880 . 5.380 4.360 2.973 4.813 . 0 0 "[ . 1 . 2]" 1
542 1 58 TYR H 1 62 CYS HA 4.530 . 5.030 3.350 2.924 4.459 . 0 0 "[ . 1 . 2]" 1
543 1 58 TYR H 1 63 TRP H 5.060 . 5.560 2.455 2.026 3.391 . 0 0 "[ . 1 . 2]" 1
544 1 58 TYR H 1 63 TRP HB2 5.500 . 6.000 3.573 3.203 3.870 . 0 0 "[ . 1 . 2]" 1
545 1 58 TYR H 1 63 TRP HB3 5.500 . 6.000 3.137 2.716 3.863 . 0 0 "[ . 1 . 2]" 1
546 1 58 TYR HA 1 59 ALA H 2.940 . 3.440 2.544 2.437 2.856 . 0 0 "[ . 1 . 2]" 1
547 1 58 TYR HA 1 59 ALA MB 5.970 . 6.470 4.174 3.668 4.285 . 0 0 "[ . 1 . 2]" 1
548 1 58 TYR QB 1 63 TRP H 5.260 . 5.760 3.140 2.702 3.696 . 0 0 "[ . 1 . 2]" 1
549 1 58 TYR HB2 1 63 TRP H 5.500 . 6.000 3.177 2.724 3.756 . 0 0 "[ . 1 . 2]" 1
550 1 58 TYR HB2 1 63 TRP HD1 5.500 . 6.000 4.667 4.563 4.835 . 0 0 "[ . 1 . 2]" 1
551 1 58 TYR HB2 1 63 TRP HE3 5.500 . 6.000 4.602 4.424 4.838 . 0 0 "[ . 1 . 2]" 1
552 1 58 TYR HB3 1 63 TRP H 5.500 . 6.000 4.921 4.477 5.505 . 0 0 "[ . 1 . 2]" 1
553 1 58 TYR HB3 1 63 TRP HD1 5.500 . 6.000 5.502 5.389 5.531 . 0 0 "[ . 1 . 2]" 1
554 1 58 TYR HB3 1 63 TRP HE3 5.500 . 6.000 5.424 5.248 5.521 . 0 0 "[ . 1 . 2]" 1
555 1 58 TYR QD 1 63 TRP HB3 6.170 . 6.670 2.694 2.580 2.807 . 0 0 "[ . 1 . 2]" 1
556 1 58 TYR QD 1 63 TRP HE1 6.170 . 6.670 5.032 4.638 5.148 . 0 0 "[ . 1 . 2]" 1
557 1 58 TYR HD2 1 63 TRP H 6.170 . 6.670 5.171 5.017 5.288 . 0 0 "[ . 1 . 2]" 1
558 1 58 TYR HD2 1 63 TRP HZ2 6.170 . 6.670 6.128 5.764 6.263 . 0 0 "[ . 1 . 2]" 1
559 1 59 ALA H 1 60 PHE HA 5.500 . 6.000 5.459 5.320 5.512 . 0 0 "[ . 1 . 2]" 1
560 1 59 ALA MB 1 60 PHE HA 5.160 . 5.660 3.756 3.590 4.305 . 0 0 "[ . 1 . 2]" 1
561 1 60 PHE QB 1 61 ALA H 5.760 . 6.260 2.081 1.920 2.452 . 0 0 "[ . 1 . 2]" 1
562 1 61 ALA HA 1 62 CYS H 3.010 . 3.510 2.700 2.580 2.723 . 0 0 "[ . 1 . 2]" 1
563 1 61 ALA MB 1 62 CYS H 4.080 . 4.580 2.020 1.910 2.117 . 0 0 "[ . 1 . 2]" 1
564 1 61 ALA MB 1 62 CYS HA 6.610 . 7.110 4.171 4.123 4.203 . 0 0 "[ . 1 . 2]" 1
565 1 61 ALA MB 1 62 CYS QB 6.740 . 7.240 3.439 3.372 3.609 . 0 0 "[ . 1 . 2]" 1
566 1 62 CYS H 1 62 CYS HB2 3.510 . 4.010 2.334 2.089 2.663 . 0 0 "[ . 1 . 2]" 1
567 1 62 CYS H 1 62 CYS HB3 3.510 . 4.010 2.999 2.419 3.538 . 0 0 "[ . 1 . 2]" 1
568 1 62 CYS H 1 63 TRP H 5.500 . 6.000 4.316 3.926 4.520 . 0 0 "[ . 1 . 2]" 1
569 1 62 CYS HA 1 63 TRP H 2.840 . 3.340 2.182 2.139 2.365 . 0 0 "[ . 1 . 2]" 1
570 1 62 CYS HA 1 63 TRP HB2 5.500 . 6.000 4.687 4.531 4.888 . 0 0 "[ . 1 . 2]" 1
571 1 62 CYS HA 1 63 TRP HB3 5.460 . 5.960 4.709 4.613 4.812 . 0 0 "[ . 1 . 2]" 1
572 1 62 CYS HB2 1 63 TRP H 5.500 . 6.000 4.518 4.364 4.614 . 0 0 "[ . 1 . 2]" 1
573 1 62 CYS HB3 1 63 TRP H 5.500 . 6.000 4.158 3.600 4.514 . 0 0 "[ . 1 . 2]" 1
574 1 63 TRP H 1 63 TRP HB2 3.640 . 4.140 2.892 2.584 3.158 . 0 0 "[ . 1 . 2]" 1
575 1 63 TRP H 1 63 TRP HB3 3.670 . 4.170 2.586 2.500 2.742 . 0 0 "[ . 1 . 2]" 1
576 1 63 TRP H 1 63 TRP HD1 5.500 . 6.000 4.928 4.810 5.048 . 0 0 "[ . 1 . 2]" 1
577 1 63 TRP HA 1 63 TRP HD1 4.490 . 4.990 4.367 4.215 4.475 . 0 0 "[ . 1 . 2]" 1
578 1 63 TRP HA 1 63 TRP HE3 3.700 . 4.200 2.789 2.576 3.074 . 0 0 "[ . 1 . 2]" 1
579 1 63 TRP HA 1 64 CYS H 2.910 . 3.410 2.189 2.140 2.356 . 0 0 "[ . 1 . 2]" 1
580 1 63 TRP HB2 1 63 TRP HE3 3.500 . 4.000 2.710 2.600 2.803 . 0 0 "[ . 1 . 2]" 1
581 1 63 TRP HB3 1 63 TRP HD1 3.440 . 3.940 2.598 2.568 2.647 . 0 0 "[ . 1 . 2]" 1
582 1 63 TRP HD1 1 64 CYS H 5.500 . 6.000 4.439 3.219 5.341 . 0 0 "[ . 1 . 2]" 1
583 1 63 TRP HD1 1 65 THR H 5.500 . 6.000 4.999 3.731 5.504 . 0 0 "[ . 1 . 2]" 1
584 1 63 TRP HD1 1 65 THR MG 3.420 . 3.920 2.476 1.932 2.836 . 0 0 "[ . 1 . 2]" 1
585 1 63 TRP HE1 1 65 THR MG 4.290 . 4.790 2.810 2.136 3.195 . 0 0 "[ . 1 . 2]" 1
586 1 63 TRP HZ2 1 65 THR MG 6.610 . 7.110 5.024 4.593 5.459 . 0 0 "[ . 1 . 2]" 1
587 1 64 CYS H 1 67 LEU MD1 6.610 . 7.110 4.412 3.639 5.526 . 0 0 "[ . 1 . 2]" 1
588 1 64 CYS H 1 67 LEU MD2 6.610 . 7.110 4.154 3.670 4.786 . 0 0 "[ . 1 . 2]" 1
589 1 64 CYS HA 1 65 THR H 2.860 . 3.360 2.286 2.138 2.575 . 0 0 "[ . 1 . 2]" 1
590 1 64 CYS HA 1 65 THR HA 5.030 . 5.530 4.429 4.389 4.541 . 0 0 "[ . 1 . 2]" 1
591 1 64 CYS HA 1 65 THR MG 5.220 . 5.720 3.525 3.209 4.068 . 0 0 "[ . 1 . 2]" 1
592 1 64 CYS HA 1 67 LEU MD1 6.610 . 7.110 4.001 3.599 5.561 . 0 0 "[ . 1 . 2]" 1
593 1 64 CYS HA 1 67 LEU MD2 6.610 . 7.110 4.887 4.008 5.500 . 0 0 "[ . 1 . 2]" 1
594 1 64 CYS QB 1 65 THR H 4.070 . 4.570 2.898 2.055 3.633 . 0 0 "[ . 1 . 2]" 1
595 1 64 CYS QB 1 67 LEU CG 2.760 . 3.260 3.502 3.260 3.677 0.417 3 0 "[ . 1 . 2]" 1
596 1 64 CYS QB 1 67 LEU HB2 5.990 . 6.490 4.358 3.148 4.907 . 0 0 "[ . 1 . 2]" 1
597 1 64 CYS QB 1 71 ALA MB 7.200 . 7.700 5.097 4.730 5.347 . 0 0 "[ . 1 . 2]" 1
598 1 64 CYS HB2 1 67 LEU MD1 4.340 . 4.840 2.875 2.069 3.573 . 0 0 "[ . 1 . 2]" 1
599 1 64 CYS HB2 1 67 LEU MD2 4.340 . 4.840 2.789 1.932 3.615 . 0 0 "[ . 1 . 2]" 1
600 1 64 CYS HB3 1 67 LEU MD1 4.340 . 4.840 2.054 1.884 3.379 . 0 0 "[ . 1 . 2]" 1
601 1 64 CYS HB3 1 67 LEU MD2 4.340 . 4.840 2.916 1.951 3.613 . 0 0 "[ . 1 . 2]" 1
602 1 65 THR H 1 65 THR MG 4.320 . 4.820 2.776 2.327 3.186 . 0 0 "[ . 1 . 2]" 1
603 1 65 THR H 1 66 HIS H 5.500 . 6.000 4.192 2.394 4.572 . 0 0 "[ . 1 . 2]" 1
604 1 65 THR H 1 67 LEU CG 4.860 . 5.360 5.655 4.736 7.133 1.773 20 5 "[ * . 1 - . ** +]" 1
605 1 65 THR HA 1 65 THR MG 2.950 . 3.450 2.359 2.072 2.440 . 0 0 "[ . 1 . 2]" 1
606 1 65 THR HA 1 66 HIS H 3.000 . 3.500 2.528 2.294 2.969 . 0 0 "[ . 1 . 2]" 1
607 1 65 THR MG 1 66 HIS H 5.010 . 5.510 3.800 3.362 4.248 . 0 0 "[ . 1 . 2]" 1
608 1 65 THR MG 1 67 LEU CG 6.430 . 6.930 6.643 6.253 7.772 0.842 20 1 "[ . 1 . +]" 1
609 1 66 HIS H 1 66 HIS HA 2.790 . 3.290 2.366 2.274 2.921 . 0 0 "[ . 1 . 2]" 1
610 1 66 HIS H 1 67 LEU H 4.030 . 4.530 2.814 2.628 3.342 . 0 0 "[ . 1 . 2]" 1
611 1 66 HIS HA 1 66 HIS HE1 5.500 . 6.000 4.974 4.474 5.412 . 0 0 "[ . 1 . 2]" 1
612 1 66 HIS HA 1 67 LEU CG 5.440 . 5.940 6.012 5.707 6.700 0.760 2 1 "[ + . 1 . 2]" 1
613 1 66 HIS HA 1 67 LEU H 3.160 . 3.660 2.694 2.240 3.009 . 0 0 "[ . 1 . 2]" 1
614 1 67 LEU CG 1 67 LEU HA 2.730 . 3.230 2.628 2.581 2.663 . 0 0 "[ . 1 . 2]" 1
615 1 67 LEU CG 1 68 TYR H 3.940 . 4.440 3.763 3.340 4.054 . 0 0 "[ . 1 . 2]" 1
616 1 67 LEU CG 1 71 ALA HA 5.440 . 5.940 5.706 5.054 6.250 0.310 11 0 "[ . 1 . 2]" 1
617 1 67 LEU CG 1 71 ALA MB 3.360 . 3.860 2.974 2.572 3.298 . 0 0 "[ . 1 . 2]" 1
618 1 67 LEU CG 1 73 VAL MG1 4.850 . 5.350 5.254 3.926 5.675 0.325 6 0 "[ . 1 . 2]" 1
619 1 67 LEU H 1 67 LEU HB2 3.180 . 3.680 2.255 2.150 2.347 . 0 0 "[ . 1 . 2]" 1
620 1 67 LEU H 1 67 LEU HB3 3.530 . 4.030 3.443 2.893 3.546 . 0 0 "[ . 1 . 2]" 1
621 1 67 LEU H 1 67 LEU MD1 5.260 . 5.760 2.841 2.243 4.090 . 0 0 "[ . 1 . 2]" 1
622 1 67 LEU H 1 67 LEU MD2 5.260 . 5.760 4.076 3.022 4.280 . 0 0 "[ . 1 . 2]" 1
623 1 67 LEU H 1 67 LEU HG 4.810 . 5.310 4.373 4.056 4.596 . 0 0 "[ . 1 . 2]" 1
624 1 67 LEU H 1 68 TYR H 4.770 . 5.270 4.531 4.432 4.591 . 0 0 "[ . 1 . 2]" 1
625 1 67 LEU HA 1 67 LEU HG 3.350 . 3.850 2.575 2.363 3.616 . 0 0 "[ . 1 . 2]" 1
626 1 67 LEU HA 1 68 TYR H 2.840 . 3.340 2.360 2.190 2.657 . 0 0 "[ . 1 . 2]" 1
627 1 67 LEU HB2 1 68 TYR H 5.500 . 6.000 3.987 3.558 4.309 . 0 0 "[ . 1 . 2]" 1
628 1 67 LEU HB3 1 68 TYR H 4.130 . 4.630 2.698 2.013 3.667 . 0 0 "[ . 1 . 2]" 1
629 1 67 LEU MD1 1 68 TYR H 5.910 . 6.410 4.012 2.066 4.505 . 0 0 "[ . 1 . 2]" 1
630 1 67 LEU MD1 1 71 ALA MB 5.570 . 6.070 3.629 1.833 3.874 . 0 0 "[ . 1 . 2]" 1
631 1 67 LEU MD2 1 68 TYR H 5.910 . 6.410 4.230 3.841 4.597 . 0 0 "[ . 1 . 2]" 1
632 1 67 LEU MD2 1 71 ALA MB 5.570 . 6.070 2.181 1.838 3.654 . 0 0 "[ . 1 . 2]" 1
633 1 67 LEU HG 1 68 TYR H 3.640 . 4.140 3.379 2.757 3.765 . 0 0 "[ . 1 . 2]" 1
634 1 68 TYR H 1 68 TYR HB2 3.770 . 4.270 2.391 2.121 2.758 . 0 0 "[ . 1 . 2]" 1
635 1 68 TYR H 1 68 TYR QB 3.490 . 3.990 2.350 2.084 2.694 . 0 0 "[ . 1 . 2]" 1
636 1 68 TYR H 1 68 TYR HB3 3.770 . 4.270 3.486 3.002 3.772 . 0 0 "[ . 1 . 2]" 1
637 1 68 TYR H 1 68 TYR QD 4.270 . 4.770 3.147 2.233 3.775 . 0 0 "[ . 1 . 2]" 1
638 1 68 TYR H 1 69 GLU H 5.500 . 6.000 4.493 4.371 4.590 . 0 0 "[ . 1 . 2]" 1
639 1 68 TYR H 1 71 ALA MB 4.650 . 5.150 2.523 1.862 3.793 . 0 0 "[ . 1 . 2]" 1
640 1 68 TYR HA 1 68 TYR QD 3.920 . 4.420 2.573 2.226 3.074 . 0 0 "[ . 1 . 2]" 1
641 1 68 TYR HA 1 69 GLU HA 4.340 . 4.840 4.317 4.294 4.366 . 0 0 "[ . 1 . 2]" 1
642 1 68 TYR HA 1 70 GLN QG 5.850 . 6.350 4.753 4.400 5.228 . 0 0 "[ . 1 . 2]" 1
643 1 68 TYR QB 1 69 GLU H 3.660 . 4.160 2.240 1.999 2.704 . 0 0 "[ . 1 . 2]" 1
644 1 68 TYR QB 1 69 GLU QG 6.730 . 7.230 3.954 2.915 5.119 . 0 0 "[ . 1 . 2]" 1
645 1 68 TYR QB 1 70 GLN H 3.740 . 4.240 2.410 2.182 2.576 . 0 0 "[ . 1 . 2]" 1
646 1 68 TYR QB 1 70 GLN QE 6.530 . 7.030 4.175 2.171 5.025 . 0 0 "[ . 1 . 2]" 1
647 1 68 TYR QB 1 70 GLN QG 4.620 . 5.120 2.219 1.976 2.643 . 0 0 "[ . 1 . 2]" 1
648 1 68 TYR QB 1 71 ALA MB 5.140 . 5.640 3.283 2.539 3.807 . 0 0 "[ . 1 . 2]" 1
649 1 68 TYR HB2 1 69 GLU H 3.780 . 4.280 3.454 2.748 3.793 . 0 0 "[ . 1 . 2]" 1
650 1 68 TYR HB2 1 70 GLN H 4.150 . 4.650 3.359 2.547 4.145 . 0 0 "[ . 1 . 2]" 1
651 1 68 TYR HB3 1 69 GLU H 3.780 . 4.280 2.274 2.038 2.768 . 0 0 "[ . 1 . 2]" 1
652 1 68 TYR HB3 1 70 GLN H 4.150 . 4.650 2.649 2.193 3.410 . 0 0 "[ . 1 . 2]" 1
653 1 68 TYR QD 1 69 GLU H 5.600 . 6.100 3.450 2.451 4.110 . 0 0 "[ . 1 . 2]" 1
654 1 68 TYR QD 1 70 GLN H 4.880 . 5.380 3.844 2.153 4.373 . 0 0 "[ . 1 . 2]" 1
655 1 68 TYR QD 1 70 GLN HB3 6.170 . 6.670 4.767 2.336 5.439 . 0 0 "[ . 1 . 2]" 1
656 1 68 TYR QD 1 70 GLN QG 5.780 . 6.280 3.028 2.056 3.963 . 0 0 "[ . 1 . 2]" 1
657 1 68 TYR QD 1 71 ALA MB 7.410 . 7.910 4.543 3.968 5.071 . 0 0 "[ . 1 . 2]" 1
658 1 69 GLU H 1 69 GLU HB2 3.810 . 4.310 2.998 2.127 3.630 . 0 0 "[ . 1 . 2]" 1
659 1 69 GLU H 1 69 GLU QB 3.340 . 3.840 2.464 2.088 2.673 . 0 0 "[ . 1 . 2]" 1
660 1 69 GLU H 1 69 GLU HB3 3.810 . 4.310 3.008 2.232 3.691 . 0 0 "[ . 1 . 2]" 1
661 1 69 GLU H 1 69 GLU QG 4.140 . 4.640 2.554 1.959 3.833 . 0 0 "[ . 1 . 2]" 1
662 1 69 GLU H 1 70 GLN H 3.900 . 4.400 2.552 2.311 2.798 . 0 0 "[ . 1 . 2]" 1
663 1 69 GLU H 1 70 GLN QG 4.690 . 5.190 3.843 3.510 4.075 . 0 0 "[ . 1 . 2]" 1
664 1 69 GLU HA 1 71 ALA H 4.980 . 5.480 3.955 3.668 4.255 . 0 0 "[ . 1 . 2]" 1
665 1 69 GLU QG 1 70 GLN H 4.880 . 5.380 3.309 2.060 4.376 . 0 0 "[ . 1 . 2]" 1
666 1 70 GLN H 1 70 GLN HB2 3.720 . 4.220 3.618 3.583 3.755 . 0 0 "[ . 1 . 2]" 1
667 1 70 GLN H 1 70 GLN HB3 3.500 . 4.000 2.669 2.480 3.138 . 0 0 "[ . 1 . 2]" 1
668 1 70 GLN H 1 70 GLN QE 5.990 . 6.490 4.656 3.788 4.994 . 0 0 "[ . 1 . 2]" 1
669 1 70 GLN H 1 70 GLN QG 3.360 . 3.860 2.112 1.930 2.237 . 0 0 "[ . 1 . 2]" 1
670 1 70 GLN H 1 71 ALA H 3.380 . 3.880 2.567 1.983 3.327 . 0 0 "[ . 1 . 2]" 1
671 1 70 GLN H 1 71 ALA HA 5.500 . 6.000 5.048 4.655 5.338 . 0 0 "[ . 1 . 2]" 1
672 1 70 GLN H 1 71 ALA MB 5.810 . 6.310 4.113 3.703 4.428 . 0 0 "[ . 1 . 2]" 1
673 1 70 GLN HA 1 70 GLN HB3 2.980 . 3.480 2.446 2.358 2.508 . 0 0 "[ . 1 . 2]" 1
674 1 70 GLN HB2 1 70 GLN HE22 5.290 . 5.790 3.856 3.344 4.428 . 0 0 "[ . 1 . 2]" 1
675 1 70 GLN HB2 1 71 ALA H 4.780 . 5.280 4.044 3.813 4.462 . 0 0 "[ . 1 . 2]" 1
676 1 70 GLN HB2 1 71 ALA HA 5.160 . 5.660 4.663 4.461 4.867 . 0 0 "[ . 1 . 2]" 1
677 1 70 GLN HB2 1 71 ALA MB 6.610 . 7.110 5.120 4.583 5.473 . 0 0 "[ . 1 . 2]" 1
678 1 70 GLN HB3 1 71 ALA H 4.690 . 5.190 4.158 3.908 4.655 . 0 0 "[ . 1 . 2]" 1
679 1 70 GLN QE 1 71 ALA HA 4.730 . 5.230 3.962 3.162 4.199 . 0 0 "[ . 1 . 2]" 1
680 1 70 GLN QE 1 71 ALA MB 6.170 . 6.670 4.141 1.996 4.578 . 0 0 "[ . 1 . 2]" 1
681 1 70 GLN QG 1 71 ALA H 5.230 . 5.730 2.570 2.098 3.948 . 0 0 "[ . 1 . 2]" 1
682 1 71 ALA H 1 71 ALA MB 3.420 . 3.920 2.206 2.041 2.596 . 0 0 "[ . 1 . 2]" 1
683 1 71 ALA H 1 72 VAL H 5.500 . 6.000 4.367 4.081 4.645 . 0 0 "[ . 1 . 2]" 1
684 1 71 ALA HA 1 72 VAL CB 3.890 . 4.390 4.706 4.637 4.763 0.373 19 0 "[ . 1 . 2]" 1
685 1 71 ALA HA 1 72 VAL H 2.650 . 3.150 2.191 2.143 2.365 . 0 0 "[ . 1 . 2]" 1
686 1 71 ALA MB 1 72 VAL H 4.200 . 4.700 3.267 2.458 3.506 . 0 0 "[ . 1 . 2]" 1
687 1 72 VAL CB 1 73 VAL H 3.450 . 3.950 3.208 3.141 3.450 . 0 0 "[ . 1 . 2]" 1
688 1 72 VAL CB 1 73 VAL HA 4.130 . 4.630 4.776 4.684 4.940 0.310 19 0 "[ . 1 . 2]" 1
689 1 72 VAL CB 1 73 VAL HB 5.440 . 5.940 6.575 6.475 6.701 0.761 9 20 [********+*****-*****] 1
690 1 72 VAL CB 1 73 VAL MG2 5.030 . 5.530 4.840 4.378 5.135 . 0 0 "[ . 1 . 2]" 1
691 1 72 VAL CB 1 74 TRP HA 4.520 . 5.020 6.599 6.309 6.813 1.793 9 20 [********+*****-*****] 1
692 1 72 VAL CB 1 75 PRO QD 6.110 . 6.610 5.852 5.125 6.385 . 0 0 "[ . 1 . 2]" 1
693 1 72 VAL H 1 72 VAL HB 3.230 . 3.730 2.632 2.474 3.056 . 0 0 "[ . 1 . 2]" 1
694 1 72 VAL H 1 73 VAL H 4.850 . 5.350 4.594 4.460 4.639 . 0 0 "[ . 1 . 2]" 1
695 1 72 VAL HA 1 73 VAL H 2.540 . 3.040 2.256 2.163 2.286 . 0 0 "[ . 1 . 2]" 1
696 1 72 VAL HA 1 73 VAL MG1 4.480 . 4.980 3.578 3.408 3.760 . 0 0 "[ . 1 . 2]" 1
697 1 72 VAL HA 1 73 VAL MG2 4.880 . 5.380 3.842 3.632 4.000 . 0 0 "[ . 1 . 2]" 1
698 1 72 VAL MG1 1 73 VAL H 5.150 . 5.650 2.891 1.972 3.911 . 0 0 "[ . 1 . 2]" 1
699 1 72 VAL MG2 1 73 VAL H 5.150 . 5.650 3.053 1.988 4.083 . 0 0 "[ . 1 . 2]" 1
700 1 73 VAL H 1 73 VAL MG1 3.610 . 4.110 2.746 2.535 3.011 . 0 0 "[ . 1 . 2]" 1
701 1 73 VAL HA 1 73 VAL HB 2.730 . 3.230 2.439 2.395 2.522 . 0 0 "[ . 1 . 2]" 1
702 1 73 VAL HA 1 74 TRP H 3.400 . 3.900 2.518 2.338 2.638 . 0 0 "[ . 1 . 2]" 1
703 1 73 VAL HA 1 75 PRO QD 6.170 . 6.670 4.472 3.991 5.048 . 0 0 "[ . 1 . 2]" 1
704 1 73 VAL HB 1 74 TRP H 3.040 . 3.540 2.174 1.928 2.556 . 0 0 "[ . 1 . 2]" 1
705 1 73 VAL MG1 1 74 TRP H 5.380 . 5.880 3.633 3.404 3.846 . 0 0 "[ . 1 . 2]" 1
706 1 73 VAL MG2 1 74 TRP H 5.450 . 5.950 3.139 2.755 3.483 . 0 0 "[ . 1 . 2]" 1
707 1 73 VAL MG2 1 74 TRP HA 5.120 . 5.620 3.923 3.721 4.306 . 0 0 "[ . 1 . 2]" 1
708 1 73 VAL MG2 1 75 PRO QD 5.570 . 6.070 2.398 1.917 4.094 . 0 0 "[ . 1 . 2]" 1
709 1 74 TRP H 1 74 TRP HB2 3.770 . 4.270 2.546 2.151 2.926 . 0 0 "[ . 1 . 2]" 1
710 1 74 TRP H 1 74 TRP QB 3.700 . 4.200 2.383 2.107 2.485 . 0 0 "[ . 1 . 2]" 1
711 1 74 TRP H 1 74 TRP HB3 3.770 . 4.270 3.013 2.665 3.198 . 0 0 "[ . 1 . 2]" 1
712 1 74 TRP HA 1 74 TRP HD1 4.450 . 4.950 3.532 2.005 4.346 . 0 0 "[ . 1 . 2]" 1
713 1 74 TRP HA 1 76 LEU CG 5.360 . 5.860 4.949 4.568 5.571 . 0 0 "[ . 1 . 2]" 1
714 1 74 TRP HA 1 76 LEU HG 5.090 . 5.590 4.046 3.560 5.191 . 0 0 "[ . 1 . 2]" 1
715 1 74 TRP QB 1 76 LEU HG 5.990 . 6.490 3.587 2.573 5.117 . 0 0 "[ . 1 . 2]" 1
716 1 74 TRP HD1 1 75 PRO QD 6.170 . 6.670 4.792 1.994 5.709 . 0 0 "[ . 1 . 2]" 1
717 1 74 TRP HD1 1 76 LEU CG 3.930 . 4.430 5.319 4.303 5.974 1.544 7 12 "[** ***+***- * . *]" 1
718 1 74 TRP HD1 1 76 LEU MD1 6.240 . 6.740 4.198 3.060 4.833 . 0 0 "[ . 1 . 2]" 1
719 1 74 TRP HD1 1 76 LEU MD2 6.240 . 6.740 4.278 2.518 5.240 . 0 0 "[ . 1 . 2]" 1
720 1 74 TRP HD1 1 76 LEU HG 5.500 . 6.000 4.825 3.643 5.560 . 0 0 "[ . 1 . 2]" 1
721 1 74 TRP HD1 1 81 CYS QB 5.990 . 6.490 4.956 3.609 5.390 . 0 0 "[ . 1 . 2]" 1
722 1 74 TRP HE1 1 76 LEU CG 4.700 . 5.200 5.222 3.323 6.291 1.091 8 12 "[** ****+**- * . *]" 1
723 1 74 TRP HE1 1 76 LEU MD1 6.610 . 7.110 4.161 2.016 5.531 . 0 0 "[ . 1 . 2]" 1
724 1 74 TRP HE1 1 76 LEU MD2 6.610 . 7.110 4.015 2.186 4.777 . 0 0 "[ . 1 . 2]" 1
725 1 74 TRP HE1 1 81 CYS H 5.500 . 6.000 5.396 4.798 5.649 . 0 0 "[ . 1 . 2]" 1
726 1 74 TRP HE1 1 81 CYS HB2 5.470 . 5.970 3.508 2.439 4.402 . 0 0 "[ . 1 . 2]" 1
727 1 74 TRP HE1 1 81 CYS QB 5.260 . 5.760 3.222 2.362 4.144 . 0 0 "[ . 1 . 2]" 1
728 1 74 TRP HE1 1 81 CYS HB3 5.470 . 5.970 4.014 3.161 5.088 . 0 0 "[ . 1 . 2]" 1
729 1 74 TRP HE3 1 76 LEU CG 5.440 . 5.940 4.185 3.049 6.183 0.243 19 0 "[ . 1 . 2]" 1
730 1 74 TRP HE3 1 76 LEU QB 5.990 . 6.490 4.084 3.434 5.351 . 0 0 "[ . 1 . 2]" 1
731 1 74 TRP HE3 1 76 LEU HG 5.500 . 6.000 3.430 2.077 5.530 . 0 0 "[ . 1 . 2]" 1
732 1 74 TRP HZ2 1 76 LEU CG 5.440 . 5.940 5.352 3.857 6.196 0.256 8 0 "[ . 1 . 2]" 1
733 1 77 PRO HA 1 78 ASN HA 4.570 . 5.070 4.494 4.346 4.643 . 0 0 "[ . 1 . 2]" 1
734 1 77 PRO HA 1 79 LYS H 5.410 . 5.910 4.596 3.628 5.432 . 0 0 "[ . 1 . 2]" 1
735 1 77 PRO QB 1 78 ASN H 4.310 . 4.810 3.274 1.917 3.769 . 0 0 "[ . 1 . 2]" 1
736 1 78 ASN H 1 78 ASN HB2 3.730 . 4.230 3.092 2.327 3.945 . 0 0 "[ . 1 . 2]" 1
737 1 78 ASN H 1 78 ASN QB 3.670 . 4.170 2.777 2.297 3.386 . 0 0 "[ . 1 . 2]" 1
738 1 78 ASN H 1 78 ASN HB3 3.730 . 4.230 3.457 2.513 3.843 . 0 0 "[ . 1 . 2]" 1
739 1 78 ASN H 1 79 LYS H 3.330 . 3.830 2.502 1.890 3.448 . 0 0 "[ . 1 . 2]" 1
740 1 79 LYS H 1 79 LYS HB2 4.030 . 4.530 2.905 2.211 3.594 . 0 0 "[ . 1 . 2]" 1
741 1 79 LYS H 1 79 LYS QB 3.680 . 4.180 2.700 2.189 3.299 . 0 0 "[ . 1 . 2]" 1
742 1 79 LYS H 1 79 LYS HB3 4.030 . 4.530 3.499 2.591 4.066 . 0 0 "[ . 1 . 2]" 1
743 1 79 LYS H 1 80 THR H 5.500 . 6.000 4.179 2.770 4.622 . 0 0 "[ . 1 . 2]" 1
744 1 79 LYS HA 1 80 THR H 2.630 . 3.130 2.445 2.156 2.728 . 0 0 "[ . 1 . 2]" 1
745 1 79 LYS QB 1 80 THR H 4.760 . 5.260 2.947 1.944 3.986 . 0 0 "[ . 1 . 2]" 1
746 1 79 LYS HB2 1 80 THR H 4.940 . 5.440 3.922 3.023 4.643 . 0 0 "[ . 1 . 2]" 1
747 1 79 LYS HB3 1 80 THR H 4.940 . 5.440 3.135 1.957 4.414 . 0 0 "[ . 1 . 2]" 1
748 1 80 THR H 1 80 THR HB 3.760 . 4.260 3.234 2.661 3.763 . 0 0 "[ . 1 . 2]" 1
749 1 80 THR HA 1 81 CYS H 2.930 . 3.430 2.325 2.148 2.987 . 0 0 "[ . 1 . 2]" 1
750 1 80 THR HB 1 81 CYS H 4.310 . 4.810 3.469 2.009 4.403 . 0 0 "[ . 1 . 2]" 1
751 1 80 THR MG 1 81 CYS H 5.070 . 5.570 3.175 1.995 4.220 . 0 0 "[ . 1 . 2]" 1
752 1 81 CYS H 1 81 CYS HB2 3.990 . 4.490 3.011 2.288 3.646 . 0 0 "[ . 1 . 2]" 1
753 1 81 CYS H 1 81 CYS HB3 3.990 . 4.490 2.564 2.384 2.967 . 0 0 "[ . 1 . 2]" 1
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