NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555354 |
2m1r   |
18874 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1r
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 791
_Distance_constraint_stats_list.Viol_count 128
_Distance_constraint_stats_list.Viol_total 102.694
_Distance_constraint_stats_list.Viol_max 0.194
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0321
_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 5 VAL 0.134 0.134 18 0 "[ . 1 . 2 .]"
1 6 ASP 0.570 0.194 3 0 "[ . 1 . 2 .]"
1 7 PRO 0.436 0.194 3 0 "[ . 1 . 2 .]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 CYS 0.138 0.022 20 0 "[ . 1 . 2 .]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 CYS 0.138 0.022 20 0 "[ . 1 . 2 .]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 VAL 0.838 0.130 10 0 "[ . 1 . 2 .]"
1 19 SER 0.838 0.130 10 0 "[ . 1 . 2 .]"
1 20 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 MET 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ILE 0.176 0.042 6 0 "[ . 1 . 2 .]"
1 25 GLY 0.176 0.042 6 0 "[ . 1 . 2 .]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 ASP 0.520 0.118 5 0 "[ . 1 . 2 .]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 33 ILE 0.180 0.019 13 0 "[ . 1 . 2 .]"
1 34 GLU 0.180 0.019 13 0 "[ . 1 . 2 .]"
1 35 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 VAL 0.440 0.042 20 0 "[ . 1 . 2 .]"
1 42 GLY 0.440 0.042 20 0 "[ . 1 . 2 .]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 LYS 0.110 0.024 11 0 "[ . 1 . 2 .]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 ARG 0.127 0.066 5 0 "[ . 1 . 2 .]"
1 49 GLY 0.127 0.066 5 0 "[ . 1 . 2 .]"
1 50 LYS 0.520 0.118 5 0 "[ . 1 . 2 .]"
1 51 TRP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 ARG 0.886 0.112 19 0 "[ . 1 . 2 .]"
1 56 CYS 1.011 0.114 17 0 "[ . 1 . 2 .]"
1 57 SER 0.125 0.114 17 0 "[ . 1 . 2 .]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 63 LYS 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 5 VAL H 1 5 VAL HB 3.110 . 3.610 2.846 2.420 3.167 . 0 0 "[ . 1 . 2 .]" 1
2 1 5 VAL H 1 6 ASP H 4.170 . 4.670 3.062 1.802 4.258 . 0 0 "[ . 1 . 2 .]" 1
3 1 5 VAL HB 1 6 ASP H 5.070 . 5.570 3.989 1.963 4.594 . 0 0 "[ . 1 . 2 .]" 1
4 1 5 VAL QG 1 6 ASP H 8.800 . 9.300 3.193 1.666 3.867 0.134 18 0 "[ . 1 . 2 .]" 1
5 1 6 ASP H 1 7 PRO QD 7.050 . 7.550 3.070 1.606 4.465 0.194 3 0 "[ . 1 . 2 .]" 1
6 1 6 ASP QB 1 7 PRO QD 8.040 . 8.540 2.577 2.039 3.904 . 0 0 "[ . 1 . 2 .]" 1
7 1 7 PRO HA 1 9 GLU H 4.170 . 4.670 3.879 3.308 4.243 . 0 0 "[ . 1 . 2 .]" 1
8 1 8 ASN H 1 8 ASN QB 3.560 . 4.060 2.575 2.141 2.877 . 0 0 "[ . 1 . 2 .]" 1
9 1 8 ASN H 1 9 GLU H 2.930 . 3.430 2.584 1.894 2.945 . 0 0 "[ . 1 . 2 .]" 1
10 1 8 ASN QB 1 9 GLU H 5.380 . 5.880 3.735 3.071 4.084 . 0 0 "[ . 1 . 2 .]" 1
11 1 9 GLU H 1 9 GLU QB 3.010 . 3.510 2.470 2.075 2.700 . 0 0 "[ . 1 . 2 .]" 1
12 1 9 GLU H 1 10 PRO QD 6.170 . 6.670 3.493 2.838 4.365 . 0 0 "[ . 1 . 2 .]" 1
13 1 9 GLU HA 1 10 PRO QD 2.910 . 3.410 2.108 2.047 2.197 . 0 0 "[ . 1 . 2 .]" 1
14 1 9 GLU QG 1 10 PRO QD 8.040 . 8.540 3.478 2.290 4.283 . 0 0 "[ . 1 . 2 .]" 1
15 1 10 PRO HA 1 11 THR H 2.930 . 3.430 2.274 2.152 3.016 . 0 0 "[ . 1 . 2 .]" 1
16 1 10 PRO HA 1 11 THR MG 6.530 . 7.030 3.927 3.147 4.362 . 0 0 "[ . 1 . 2 .]" 1
17 1 10 PRO QB 1 11 THR H 4.680 . 5.180 3.206 2.569 4.061 . 0 0 "[ . 1 . 2 .]" 1
18 1 10 PRO QB 1 12 TYR QD 9.630 . 10.130 4.586 3.722 5.904 . 0 0 "[ . 1 . 2 .]" 1
19 1 10 PRO QB 1 12 TYR QE 8.010 . 8.510 3.125 2.174 5.143 . 0 0 "[ . 1 . 2 .]" 1
20 1 10 PRO QD 1 12 TYR QE 9.610 . 10.110 5.337 4.110 5.695 . 0 0 "[ . 1 . 2 .]" 1
21 1 10 PRO QG 1 12 TYR QE . . 9.460 4.619 2.200 6.332 . 0 0 "[ . 1 . 2 .]" 1
22 1 11 THR H 1 11 THR HB 3.730 . 4.230 3.820 3.730 3.878 . 0 0 "[ . 1 . 2 .]" 1
23 1 11 THR H 1 12 TYR H 4.600 . 5.100 4.371 4.238 4.533 . 0 0 "[ . 1 . 2 .]" 1
24 1 11 THR H 1 12 TYR QD 8.580 . 9.080 3.798 3.384 4.121 . 0 0 "[ . 1 . 2 .]" 1
25 1 11 THR H 1 18 VAL QG 8.800 . 9.300 3.807 2.872 4.378 . 0 0 "[ . 1 . 2 .]" 1
26 1 11 THR HA 1 12 TYR H 2.430 . 2.930 2.345 2.249 2.401 . 0 0 "[ . 1 . 2 .]" 1
27 1 11 THR HA 1 13 CYS H 4.480 . 4.980 4.424 4.329 4.495 . 0 0 "[ . 1 . 2 .]" 1
28 1 11 THR HA 1 17 GLN H 3.950 . 4.450 3.844 3.460 4.067 . 0 0 "[ . 1 . 2 .]" 1
29 1 11 THR HA 1 18 VAL H 4.040 . 4.540 4.016 3.848 4.098 . 0 0 "[ . 1 . 2 .]" 1
30 1 11 THR HB 1 12 TYR H 2.960 . 3.460 2.926 2.646 3.085 . 0 0 "[ . 1 . 2 .]" 1
31 1 11 THR MG 1 12 TYR H 7.510 . 8.010 4.046 3.949 4.160 . 0 0 "[ . 1 . 2 .]" 1
32 1 11 THR MG 1 17 GLN H 6.390 . 6.890 3.883 3.723 4.081 . 0 0 "[ . 1 . 2 .]" 1
33 1 11 THR MG 1 17 GLN HA 4.900 . 5.400 2.207 2.056 2.456 . 0 0 "[ . 1 . 2 .]" 1
34 1 11 THR MG 1 17 GLN QB 9.980 . 10.480 3.458 3.345 3.536 . 0 0 "[ . 1 . 2 .]" 1
35 1 12 TYR H 1 13 CYS H 3.480 . 3.980 2.332 2.214 2.416 . 0 0 "[ . 1 . 2 .]" 1
36 1 12 TYR H 1 16 HIS H 3.980 . 4.480 4.040 3.899 4.126 . 0 0 "[ . 1 . 2 .]" 1
37 1 12 TYR H 1 16 HIS HA 4.630 . 5.130 2.763 2.530 3.026 . 0 0 "[ . 1 . 2 .]" 1
38 1 12 TYR H 1 17 GLN H 3.170 . 3.670 3.247 3.183 3.304 . 0 0 "[ . 1 . 2 .]" 1
39 1 12 TYR H 1 18 VAL QG 8.670 . 9.170 3.019 2.813 3.375 . 0 0 "[ . 1 . 2 .]" 1
40 1 12 TYR HA 1 33 ILE MG 5.910 . 6.410 3.486 3.322 3.641 . 0 0 "[ . 1 . 2 .]" 1
41 1 12 TYR QB 1 13 CYS H 3.700 . 4.100 2.538 2.391 2.742 . 0 0 "[ . 1 . 2 .]" 1
42 1 12 TYR QB 1 13 CYS HA 5.660 . 6.160 3.958 3.831 4.010 . 0 0 "[ . 1 . 2 .]" 1
43 1 12 TYR QB 1 13 CYS HB2 6.170 . 6.670 5.163 4.486 5.571 . 0 0 "[ . 1 . 2 .]" 1
44 1 12 TYR QB 1 18 VAL QG 9.880 . 10.380 3.756 3.609 3.909 . 0 0 "[ . 1 . 2 .]" 1
45 1 12 TYR QB 1 33 ILE MG . . 7.000 2.113 2.050 2.170 . 0 0 "[ . 1 . 2 .]" 1
46 1 12 TYR QB 1 34 GLU QG 6.930 . 7.430 4.100 3.823 4.233 . 0 0 "[ . 1 . 2 .]" 1
47 1 12 TYR QB 1 35 TRP H . . 4.900 3.279 3.203 3.329 . 0 0 "[ . 1 . 2 .]" 1
48 1 12 TYR QB 1 35 TRP HB2 6.170 . 6.670 5.246 5.176 5.309 . 0 0 "[ . 1 . 2 .]" 1
49 1 12 TYR QB 1 35 TRP HE1 6.170 . 6.670 2.581 2.388 2.872 . 0 0 "[ . 1 . 2 .]" 1
50 1 12 TYR QD 1 18 VAL HB 8.580 . 9.080 4.957 4.767 5.190 . 0 0 "[ . 1 . 2 .]" 1
51 1 12 TYR QD 1 18 VAL QG . . 11.320 2.360 2.221 2.551 . 0 0 "[ . 1 . 2 .]" 1
52 1 12 TYR QD 1 19 SER H 8.580 . 9.080 7.144 6.993 7.310 . 0 0 "[ . 1 . 2 .]" 1
53 1 12 TYR QD 1 19 SER QB 10.730 . 11.230 8.057 7.758 8.538 . 0 0 "[ . 1 . 2 .]" 1
54 1 12 TYR QD 1 33 ILE HA 8.510 . 9.010 3.027 2.796 3.308 . 0 0 "[ . 1 . 2 .]" 1
55 1 12 TYR QD 1 33 ILE MG 11.470 . 11.970 3.923 3.801 3.994 . 0 0 "[ . 1 . 2 .]" 1
56 1 12 TYR QD 1 34 GLU QG 9.590 . 10.090 4.278 3.907 4.592 . 0 0 "[ . 1 . 2 .]" 1
57 1 12 TYR QD 1 35 TRP H 8.580 . 9.080 4.674 4.411 4.837 . 0 0 "[ . 1 . 2 .]" 1
58 1 12 TYR QD 1 35 TRP HB2 8.230 . 8.730 5.728 5.587 5.841 . 0 0 "[ . 1 . 2 .]" 1
59 1 12 TYR QD 1 35 TRP HB3 7.350 . 7.850 4.718 4.481 4.882 . 0 0 "[ . 1 . 2 .]" 1
60 1 12 TYR QD 1 35 TRP HE1 8.580 . 9.080 2.240 2.033 2.550 . 0 0 "[ . 1 . 2 .]" 1
61 1 12 TYR QE 1 18 VAL QG 12.970 . 13.470 3.077 2.510 3.257 . 0 0 "[ . 1 . 2 .]" 1
62 1 12 TYR QE 1 19 SER H 8.560 . 9.060 7.600 6.976 7.658 . 0 0 "[ . 1 . 2 .]" 1
63 1 12 TYR QE 1 19 SER QB 10.520 . 11.020 7.830 7.533 8.368 . 0 0 "[ . 1 . 2 .]" 1
64 1 12 TYR QE 1 33 ILE MG 11.670 . 12.170 5.677 5.559 5.746 . 0 0 "[ . 1 . 2 .]" 1
65 1 12 TYR QE 1 34 GLU QG 9.610 . 10.110 4.398 3.895 4.929 . 0 0 "[ . 1 . 2 .]" 1
66 1 12 TYR QE 1 35 TRP HB2 8.560 . 9.060 6.717 6.348 7.055 . 0 0 "[ . 1 . 2 .]" 1
67 1 12 TYR QE 1 35 TRP HB3 8.560 . 9.060 5.535 5.124 5.873 . 0 0 "[ . 1 . 2 .]" 1
68 1 12 TYR QE 1 35 TRP HD1 7.390 . 7.890 3.945 3.742 4.095 . 0 0 "[ . 1 . 2 .]" 1
69 1 12 TYR QE 1 35 TRP HE1 8.560 . 9.060 4.463 4.092 4.734 . 0 0 "[ . 1 . 2 .]" 1
70 1 13 CYS H 1 13 CYS HA 2.800 . 3.300 2.708 2.656 2.782 . 0 0 "[ . 1 . 2 .]" 1
71 1 13 CYS H 1 13 CYS HB2 3.300 . 3.800 3.079 2.394 3.523 . 0 0 "[ . 1 . 2 .]" 1
72 1 13 CYS H 1 15 CYS H 4.820 . 5.320 4.417 4.366 4.456 . 0 0 "[ . 1 . 2 .]" 1
73 1 13 CYS H 1 18 VAL QG 7.590 . 8.090 3.395 3.182 3.615 . 0 0 "[ . 1 . 2 .]" 1
74 1 13 CYS H 1 33 ILE MD 7.840 . 8.340 5.272 5.187 6.026 . 0 0 "[ . 1 . 2 .]" 1
75 1 13 CYS H 1 33 ILE MG 4.790 . 5.290 3.616 3.404 3.922 . 0 0 "[ . 1 . 2 .]" 1
76 1 13 CYS H 1 35 TRP H 5.500 . 6.000 5.238 5.140 5.418 . 0 0 "[ . 1 . 2 .]" 1
77 1 13 CYS H 1 35 TRP HB2 6.000 . 6.500 6.195 6.177 6.217 . 0 0 "[ . 1 . 2 .]" 1
78 1 13 CYS H 1 36 PHE HA 4.820 . 5.320 4.246 4.178 4.306 . 0 0 "[ . 1 . 2 .]" 1
79 1 13 CYS HA 1 14 LEU H 2.930 . 3.430 2.388 2.346 2.458 . 0 0 "[ . 1 . 2 .]" 1
80 1 13 CYS HA 1 15 CYS H 3.670 . 4.170 3.766 3.706 3.854 . 0 0 "[ . 1 . 2 .]" 1
81 1 13 CYS HA 1 20 TYR HH 5.500 . 6.000 5.538 5.481 5.586 . 0 0 "[ . 1 . 2 .]" 1
82 1 13 CYS HA 1 33 ILE MG 4.710 . 5.210 2.890 2.693 3.048 . 0 0 "[ . 1 . 2 .]" 1
83 1 13 CYS HA 1 36 PHE QD 8.550 . 9.050 3.564 3.387 3.844 . 0 0 "[ . 1 . 2 .]" 1
84 1 13 CYS HA 1 36 PHE QE 8.550 . 9.050 4.300 4.236 4.395 . 0 0 "[ . 1 . 2 .]" 1
85 1 13 CYS HA 1 36 PHE HZ 5.500 . 6.000 5.668 5.634 5.737 . 0 0 "[ . 1 . 2 .]" 1
86 1 13 CYS HA 1 37 HIS H 4.200 . 4.700 4.105 3.925 4.338 . 0 0 "[ . 1 . 2 .]" 1
87 1 13 CYS HB2 1 14 LEU H 3.640 . 4.140 2.744 2.177 3.560 . 0 0 "[ . 1 . 2 .]" 1
88 1 13 CYS HB2 1 15 CYS H 4.010 . 4.510 2.561 1.778 3.741 0.022 20 0 "[ . 1 . 2 .]" 1
89 1 13 CYS HB2 1 18 VAL QG 8.340 . 8.840 4.649 3.993 5.188 . 0 0 "[ . 1 . 2 .]" 1
90 1 13 CYS HB2 1 33 ILE MG 6.760 . 7.260 4.858 4.386 5.174 . 0 0 "[ . 1 . 2 .]" 1
91 1 13 CYS HB2 1 35 TRP HE1 5.500 . 6.000 4.549 3.700 5.071 . 0 0 "[ . 1 . 2 .]" 1
92 1 13 CYS HB2 1 36 PHE HA 4.110 . 4.610 3.380 2.708 3.835 . 0 0 "[ . 1 . 2 .]" 1
93 1 13 CYS HB2 1 36 PHE QB 6.170 . 6.670 4.932 4.582 5.205 . 0 0 "[ . 1 . 2 .]" 1
94 1 13 CYS HB2 1 36 PHE QD 8.550 . 9.050 4.847 4.755 4.957 . 0 0 "[ . 1 . 2 .]" 1
95 1 13 CYS HB2 1 37 HIS H 3.240 . 3.740 3.289 3.174 3.350 . 0 0 "[ . 1 . 2 .]" 1
96 1 13 CYS HB3 1 14 LEU H 3.950 . 4.450 3.140 2.672 3.450 . 0 0 "[ . 1 . 2 .]" 1
97 1 13 CYS HB3 1 15 CYS H 3.020 . 3.520 2.794 1.975 3.329 . 0 0 "[ . 1 . 2 .]" 1
98 1 13 CYS HB3 1 16 HIS H 3.720 . 4.220 3.762 3.220 4.047 . 0 0 "[ . 1 . 2 .]" 1
99 1 13 CYS HB3 1 17 GLN H 3.820 . 4.320 4.048 3.873 4.171 . 0 0 "[ . 1 . 2 .]" 1
100 1 13 CYS HB3 1 20 TYR HH 5.500 . 6.000 3.084 2.927 3.192 . 0 0 "[ . 1 . 2 .]" 1
101 1 13 CYS HB3 1 37 HIS H 4.570 . 5.070 3.421 3.029 3.951 . 0 0 "[ . 1 . 2 .]" 1
102 1 14 LEU H 1 14 LEU HG 2.770 . 3.270 1.959 1.899 1.998 . 0 0 "[ . 1 . 2 .]" 1
103 1 14 LEU H 1 15 CYS H 2.590 . 3.090 2.552 2.513 2.614 . 0 0 "[ . 1 . 2 .]" 1
104 1 14 LEU H 1 15 CYS HA 4.970 . 5.470 5.086 5.049 5.136 . 0 0 "[ . 1 . 2 .]" 1
105 1 14 LEU H 1 15 CYS HB2 4.290 . 4.790 4.359 4.330 4.379 . 0 0 "[ . 1 . 2 .]" 1
106 1 14 LEU H 1 33 ILE MD 7.280 . 7.780 5.157 4.418 5.801 . 0 0 "[ . 1 . 2 .]" 1
107 1 14 LEU H 1 33 ILE MG 5.750 . 6.250 4.446 4.331 4.632 . 0 0 "[ . 1 . 2 .]" 1
108 1 14 LEU H 1 36 PHE HA 4.010 . 4.510 4.192 4.090 4.341 . 0 0 "[ . 1 . 2 .]" 1
109 1 14 LEU H 1 36 PHE QD 6.710 . 7.210 3.648 3.482 3.909 . 0 0 "[ . 1 . 2 .]" 1
110 1 14 LEU H 1 36 PHE QE 8.070 . 8.570 4.698 4.598 4.895 . 0 0 "[ . 1 . 2 .]" 1
111 1 14 LEU H 1 40 CYS HB2 5.500 . 6.000 4.352 4.199 4.555 . 0 0 "[ . 1 . 2 .]" 1
112 1 14 LEU HA 1 14 LEU HG 3.700 . 4.200 3.427 3.411 3.442 . 0 0 "[ . 1 . 2 .]" 1
113 1 14 LEU HA 1 16 HIS H 3.760 . 4.260 3.854 3.821 3.873 . 0 0 "[ . 1 . 2 .]" 1
114 1 14 LEU HA 1 33 ILE MD 6.530 . 7.030 4.901 4.319 5.449 . 0 0 "[ . 1 . 2 .]" 1
115 1 14 LEU HA 1 33 ILE MG 7.060 . 7.560 5.335 5.237 5.504 . 0 0 "[ . 1 . 2 .]" 1
116 1 14 LEU HA 1 36 PHE QE 8.550 . 9.050 5.770 5.591 6.015 . 0 0 "[ . 1 . 2 .]" 1
117 1 14 LEU QB 1 15 CYS H . . 4.370 3.424 3.357 3.460 . 0 0 "[ . 1 . 2 .]" 1
118 1 14 LEU QB 1 33 ILE MD 8.800 . 9.300 5.757 5.137 6.410 . 0 0 "[ . 1 . 2 .]" 1
119 1 14 LEU QB 1 36 PHE QD 9.600 . 10.100 4.873 4.691 5.119 . 0 0 "[ . 1 . 2 .]" 1
120 1 14 LEU QB 1 36 PHE QE 9.600 . 10.100 5.466 5.292 5.783 . 0 0 "[ . 1 . 2 .]" 1
121 1 14 LEU QD 1 15 CYS H 8.630 . 9.130 4.304 4.274 4.327 . 0 0 "[ . 1 . 2 .]" 1
122 1 14 LEU QD 1 15 CYS HA 8.550 . 9.050 5.439 5.410 5.457 . 0 0 "[ . 1 . 2 .]" 1
123 1 14 LEU QD 1 15 CYS HB2 8.340 . 8.840 5.715 5.641 5.766 . 0 0 "[ . 1 . 2 .]" 1
124 1 14 LEU QD 1 33 ILE MD 10.330 . 10.830 3.363 2.725 4.117 . 0 0 "[ . 1 . 2 .]" 1
125 1 14 LEU QD 1 33 ILE MG 12.240 . 12.740 3.636 3.517 3.837 . 0 0 "[ . 1 . 2 .]" 1
126 1 14 LEU QD 1 36 PHE QD 13.090 . 13.590 3.041 2.932 3.206 . 0 0 "[ . 1 . 2 .]" 1
127 1 14 LEU QD 1 36 PHE QE 12.060 . 12.560 2.555 2.385 2.842 . 0 0 "[ . 1 . 2 .]" 1
128 1 14 LEU QD 1 36 PHE HZ 8.800 . 9.300 4.461 4.287 4.782 . 0 0 "[ . 1 . 2 .]" 1
129 1 14 LEU QD 1 37 HIS H 8.800 . 9.300 4.881 4.797 4.952 . 0 0 "[ . 1 . 2 .]" 1
130 1 14 LEU QD 1 40 CYS HB2 7.890 . 8.390 3.869 3.790 3.906 . 0 0 "[ . 1 . 2 .]" 1
131 1 14 LEU QD 1 41 VAL H 8.800 . 9.300 5.041 4.814 5.403 . 0 0 "[ . 1 . 2 .]" 1
132 1 14 LEU QD 1 41 VAL HA 8.800 . 9.300 4.689 4.399 5.135 . 0 0 "[ . 1 . 2 .]" 1
133 1 14 LEU QD 1 41 VAL QG 11.700 . 12.200 4.696 4.474 4.983 . 0 0 "[ . 1 . 2 .]" 1
134 1 14 LEU QD 1 54 PRO QB 9.880 . 10.380 4.133 3.822 4.463 . 0 0 "[ . 1 . 2 .]" 1
135 1 14 LEU QD 1 54 PRO QD 8.520 . 9.020 3.381 3.141 3.654 . 0 0 "[ . 1 . 2 .]" 1
136 1 14 LEU QD 1 55 ARG H 8.800 . 9.300 5.675 5.248 6.022 . 0 0 "[ . 1 . 2 .]" 1
137 1 14 LEU QD 1 55 ARG QD 11.200 . 11.700 3.789 2.696 5.195 . 0 0 "[ . 1 . 2 .]" 1
138 1 14 LEU QD 1 55 ARG QG 9.880 . 10.380 3.811 3.290 4.148 . 0 0 "[ . 1 . 2 .]" 1
139 1 14 LEU HG 1 15 CYS H 4.140 . 4.640 4.294 4.268 4.316 . 0 0 "[ . 1 . 2 .]" 1
140 1 14 LEU HG 1 33 ILE MD 7.840 . 8.340 5.302 4.504 6.171 . 0 0 "[ . 1 . 2 .]" 1
141 1 14 LEU HG 1 36 PHE QD 6.810 . 7.310 2.893 2.682 3.173 . 0 0 "[ . 1 . 2 .]" 1
142 1 14 LEU HG 1 36 PHE QE 6.680 . 7.180 3.807 3.615 4.190 . 0 0 "[ . 1 . 2 .]" 1
143 1 15 CYS H 1 15 CYS HB2 2.990 . 3.490 2.173 2.134 2.198 . 0 0 "[ . 1 . 2 .]" 1
144 1 15 CYS H 1 15 CYS HB3 3.110 . 3.610 3.445 3.422 3.456 . 0 0 "[ . 1 . 2 .]" 1
145 1 15 CYS H 1 16 HIS H 2.800 . 3.300 2.086 2.040 2.167 . 0 0 "[ . 1 . 2 .]" 1
146 1 15 CYS H 1 16 HIS HA 4.170 . 4.670 4.190 4.164 4.222 . 0 0 "[ . 1 . 2 .]" 1
147 1 15 CYS H 1 17 GLN H 3.830 . 4.330 4.012 3.958 4.054 . 0 0 "[ . 1 . 2 .]" 1
148 1 15 CYS H 1 33 ILE MG 7.840 . 8.340 5.833 5.731 5.997 . 0 0 "[ . 1 . 2 .]" 1
149 1 15 CYS HA 1 15 CYS HB3 2.860 . 3.360 2.522 2.493 2.551 . 0 0 "[ . 1 . 2 .]" 1
150 1 15 CYS HA 1 16 HIS H 3.360 . 3.860 3.438 3.420 3.452 . 0 0 "[ . 1 . 2 .]" 1
151 1 15 CYS HA 1 17 GLN H 5.500 . 6.000 5.047 4.933 5.134 . 0 0 "[ . 1 . 2 .]" 1
152 1 15 CYS HB2 1 17 GLN QE 6.170 . 6.670 4.268 4.182 4.381 . 0 0 "[ . 1 . 2 .]" 1
153 1 15 CYS HB2 1 17 GLN QG 6.170 . 6.670 2.860 2.763 2.983 . 0 0 "[ . 1 . 2 .]" 1
154 1 15 CYS HB3 1 17 GLN H 5.500 . 6.000 3.903 3.708 4.033 . 0 0 "[ . 1 . 2 .]" 1
155 1 15 CYS HB3 1 17 GLN QE 6.170 . 6.670 2.925 2.811 3.075 . 0 0 "[ . 1 . 2 .]" 1
156 1 15 CYS HB3 1 17 GLN QG . . 5.320 2.169 2.083 2.286 . 0 0 "[ . 1 . 2 .]" 1
157 1 16 HIS H 1 16 HIS HA 2.620 . 3.120 2.188 2.170 2.202 . 0 0 "[ . 1 . 2 .]" 1
158 1 16 HIS H 1 16 HIS QB 3.700 . 4.200 2.944 2.799 2.995 . 0 0 "[ . 1 . 2 .]" 1
159 1 16 HIS H 1 16 HIS HD2 4.380 . 4.880 3.959 3.852 4.289 . 0 0 "[ . 1 . 2 .]" 1
160 1 16 HIS H 1 17 GLN H 2.800 . 3.300 2.890 2.862 2.924 . 0 0 "[ . 1 . 2 .]" 1
161 1 16 HIS H 1 17 GLN QG 6.170 . 6.670 4.202 4.106 4.338 . 0 0 "[ . 1 . 2 .]" 1
162 1 16 HIS HA 1 17 GLN H 2.710 . 3.210 2.564 2.532 2.637 . 0 0 "[ . 1 . 2 .]" 1
163 1 16 HIS QB 1 17 GLN H . . 5.910 4.056 4.046 4.072 . 0 0 "[ . 1 . 2 .]" 1
164 1 17 GLN H 1 17 GLN HA 2.800 . 3.300 2.823 2.805 2.834 . 0 0 "[ . 1 . 2 .]" 1
165 1 17 GLN H 1 17 GLN QG . . 4.370 2.748 2.668 2.829 . 0 0 "[ . 1 . 2 .]" 1
166 1 17 GLN H 1 18 VAL H 3.730 . 4.230 4.029 3.977 4.068 . 0 0 "[ . 1 . 2 .]" 1
167 1 17 GLN H 1 35 TRP HZ2 3.450 . 3.950 3.514 3.467 3.562 . 0 0 "[ . 1 . 2 .]" 1
168 1 17 GLN HA 1 18 VAL H 3.020 . 3.520 2.168 2.132 2.201 . 0 0 "[ . 1 . 2 .]" 1
169 1 17 GLN HA 1 18 VAL QG 6.790 . 7.290 3.254 3.165 3.366 . 0 0 "[ . 1 . 2 .]" 1
170 1 17 GLN QB 1 18 VAL H 4.930 . 5.430 2.919 2.787 3.040 . 0 0 "[ . 1 . 2 .]" 1
171 1 17 GLN QB 1 20 TYR QE 10.610 . 11.110 4.623 4.527 4.740 . 0 0 "[ . 1 . 2 .]" 1
172 1 17 GLN QB 1 20 TYR HH 6.010 . 6.510 5.149 4.994 5.352 . 0 0 "[ . 1 . 2 .]" 1
173 1 17 GLN QG 1 18 VAL H 6.170 . 6.670 3.887 3.727 4.043 . 0 0 "[ . 1 . 2 .]" 1
174 1 17 GLN QG 1 20 TYR QD 9.630 . 10.130 3.576 3.388 3.749 . 0 0 "[ . 1 . 2 .]" 1
175 1 17 GLN QG 1 20 TYR QE 9.420 . 9.720 3.096 2.922 3.281 . 0 0 "[ . 1 . 2 .]" 1
176 1 17 GLN QG 1 20 TYR HH . . 4.590 3.341 3.182 3.596 . 0 0 "[ . 1 . 2 .]" 1
177 1 18 VAL H 1 19 SER H 5.500 . 6.000 4.492 4.374 4.545 . 0 0 "[ . 1 . 2 .]" 1
178 1 18 VAL H 1 20 TYR QD 8.580 . 9.080 4.602 4.434 4.742 . 0 0 "[ . 1 . 2 .]" 1
179 1 18 VAL H 1 35 TRP HZ2 4.790 . 5.290 4.751 4.579 4.842 . 0 0 "[ . 1 . 2 .]" 1
180 1 18 VAL HA 1 19 SER H 2.770 . 3.270 2.571 2.483 2.788 . 0 0 "[ . 1 . 2 .]" 1
181 1 18 VAL HB 1 19 SER H 3.580 . 4.080 2.922 2.529 3.110 . 0 0 "[ . 1 . 2 .]" 1
182 1 18 VAL HB 1 19 SER QB 7.160 . 7.660 3.748 3.576 4.267 . 0 0 "[ . 1 . 2 .]" 1
183 1 18 VAL QG 1 19 SER H 5.960 . 6.300 1.771 1.670 1.827 0.130 10 0 "[ . 1 . 2 .]" 1
184 1 18 VAL QG 1 19 SER HA 5.840 . 6.340 3.461 3.401 3.524 . 0 0 "[ . 1 . 2 .]" 1
185 1 18 VAL QG 1 20 TYR H 6.710 . 7.210 3.956 3.729 4.072 . 0 0 "[ . 1 . 2 .]" 1
186 1 18 VAL QG 1 20 TYR QD 13.120 . 13.620 3.504 3.336 3.652 . 0 0 "[ . 1 . 2 .]" 1
187 1 18 VAL QG 1 20 TYR QE 12.350 . 12.850 2.949 2.761 3.074 . 0 0 "[ . 1 . 2 .]" 1
188 1 18 VAL QG 1 20 TYR HH 7.250 . 7.750 3.912 3.735 4.038 . 0 0 "[ . 1 . 2 .]" 1
189 1 18 VAL QG 1 23 MET HA 8.800 . 9.300 5.053 4.736 5.312 . 0 0 "[ . 1 . 2 .]" 1
190 1 18 VAL QG 1 23 MET QB 7.720 . 8.220 3.675 3.547 3.941 . 0 0 "[ . 1 . 2 .]" 1
191 1 18 VAL QG 1 23 MET QG 8.050 . 8.550 3.018 2.236 3.718 . 0 0 "[ . 1 . 2 .]" 1
192 1 18 VAL QG 1 24 ILE H 7.130 . 7.630 5.376 5.307 5.486 . 0 0 "[ . 1 . 2 .]" 1
193 1 18 VAL QG 1 24 ILE MG 12.240 . 12.740 6.264 6.176 6.366 . 0 0 "[ . 1 . 2 .]" 1
194 1 18 VAL QG 1 35 TRP H 8.800 . 9.300 5.450 5.349 5.537 . 0 0 "[ . 1 . 2 .]" 1
195 1 18 VAL QG 1 35 TRP HA 7.410 . 7.910 5.519 5.486 5.545 . 0 0 "[ . 1 . 2 .]" 1
196 1 18 VAL QG 1 35 TRP HB2 7.130 . 7.330 4.145 4.072 4.181 . 0 0 "[ . 1 . 2 .]" 1
197 1 18 VAL QG 1 35 TRP HB3 5.700 . 6.200 4.259 4.194 4.303 . 0 0 "[ . 1 . 2 .]" 1
198 1 18 VAL QG 1 35 TRP HD1 8.800 . 9.300 3.264 3.216 3.322 . 0 0 "[ . 1 . 2 .]" 1
199 1 18 VAL QG 1 35 TRP HE3 7.250 . 7.750 3.844 3.777 3.900 . 0 0 "[ . 1 . 2 .]" 1
200 1 18 VAL QG 1 36 PHE H 7.000 . 7.500 5.203 5.158 5.221 . 0 0 "[ . 1 . 2 .]" 1
201 1 18 VAL QG 1 36 PHE HA 7.090 . 7.590 5.294 5.274 5.318 . 0 0 "[ . 1 . 2 .]" 1
202 1 18 VAL QG 1 37 HIS H 8.800 . 9.300 5.703 5.532 5.951 . 0 0 "[ . 1 . 2 .]" 1
203 1 18 VAL QG 1 37 HIS HA 7.290 . 7.790 5.221 5.024 5.325 . 0 0 "[ . 1 . 2 .]" 1
204 1 18 VAL QG 1 37 HIS HD2 8.800 . 9.300 5.202 4.745 5.586 . 0 0 "[ . 1 . 2 .]" 1
205 1 18 VAL QG 1 38 PHE H 8.800 . 9.300 6.549 6.329 6.621 . 0 0 "[ . 1 . 2 .]" 1
206 1 19 SER H 1 20 TYR H 4.540 . 5.040 2.878 2.776 3.057 . 0 0 "[ . 1 . 2 .]" 1
207 1 19 SER HA 1 20 TYR H 2.900 . 3.400 2.436 2.385 2.533 . 0 0 "[ . 1 . 2 .]" 1
208 1 19 SER HA 1 20 TYR QD 8.580 . 9.080 3.760 3.672 3.914 . 0 0 "[ . 1 . 2 .]" 1
209 1 19 SER QB 1 20 TYR H 5.280 . 5.780 4.058 3.951 4.104 . 0 0 "[ . 1 . 2 .]" 1
210 1 20 TYR H 1 21 GLY H 4.450 . 4.950 3.845 3.698 4.038 . 0 0 "[ . 1 . 2 .]" 1
211 1 20 TYR H 1 23 MET QG 5.610 . 6.110 3.717 3.337 4.167 . 0 0 "[ . 1 . 2 .]" 1
212 1 20 TYR H 1 37 HIS HD2 5.500 . 6.000 5.446 5.294 5.538 . 0 0 "[ . 1 . 2 .]" 1
213 1 20 TYR HA 1 21 GLY H 2.650 . 3.150 2.183 2.112 2.231 . 0 0 "[ . 1 . 2 .]" 1
214 1 20 TYR QB 1 21 GLY H 3.910 . 4.410 3.487 3.311 3.548 . 0 0 "[ . 1 . 2 .]" 1
215 1 20 TYR QD 1 21 GLY H 8.440 . 8.940 4.834 4.759 4.858 . 0 0 "[ . 1 . 2 .]" 1
216 1 20 TYR QD 1 21 GLY QA 9.630 . 10.130 4.869 4.702 5.027 . 0 0 "[ . 1 . 2 .]" 1
217 1 20 TYR QD 1 22 GLU H 8.580 . 9.080 6.257 5.097 6.778 . 0 0 "[ . 1 . 2 .]" 1
218 1 20 TYR QE 1 37 HIS QB 9.610 . 10.110 3.695 3.544 3.863 . 0 0 "[ . 1 . 2 .]" 1
219 1 20 TYR QE 1 37 HIS HD2 8.560 . 9.060 3.971 3.568 4.316 . 0 0 "[ . 1 . 2 .]" 1
220 1 20 TYR HH 1 36 PHE HA 5.500 . 6.000 5.470 5.338 5.517 . 0 0 "[ . 1 . 2 .]" 1
221 1 20 TYR HH 1 37 HIS H 5.500 . 6.000 4.522 4.266 4.905 . 0 0 "[ . 1 . 2 .]" 1
222 1 20 TYR HH 1 37 HIS QB 6.170 . 6.670 2.705 2.525 2.986 . 0 0 "[ . 1 . 2 .]" 1
223 1 21 GLY H 1 22 GLU H 4.140 . 4.640 4.393 4.228 4.446 . 0 0 "[ . 1 . 2 .]" 1
224 1 21 GLY QA 1 22 GLU H 3.490 . 3.510 2.072 1.989 2.159 . 0 0 "[ . 1 . 2 .]" 1
225 1 22 GLU H 1 22 GLU QB 3.110 . 3.610 2.816 2.678 2.923 . 0 0 "[ . 1 . 2 .]" 1
226 1 22 GLU H 1 22 GLU QG 3.910 . 4.410 2.698 1.835 3.217 . 0 0 "[ . 1 . 2 .]" 1
227 1 22 GLU HA 1 23 MET H 2.400 . 2.900 2.339 2.201 2.451 . 0 0 "[ . 1 . 2 .]" 1
228 1 22 GLU QB 1 23 MET H 3.420 . 3.920 2.542 2.249 2.810 . 0 0 "[ . 1 . 2 .]" 1
229 1 22 GLU QB 1 38 PHE H 6.170 . 6.670 5.164 4.619 5.524 . 0 0 "[ . 1 . 2 .]" 1
230 1 22 GLU QB 1 38 PHE QB 6.110 . 6.610 3.760 2.930 4.414 . 0 0 "[ . 1 . 2 .]" 1
231 1 22 GLU QB 1 38 PHE QD 9.600 . 10.100 3.744 3.113 4.352 . 0 0 "[ . 1 . 2 .]" 1
232 1 22 GLU QB 1 38 PHE QE 9.600 . 10.100 3.763 3.180 4.421 . 0 0 "[ . 1 . 2 .]" 1
233 1 22 GLU QG 1 23 MET H 6.170 . 6.670 3.747 3.147 4.298 . 0 0 "[ . 1 . 2 .]" 1
234 1 22 GLU QG 1 38 PHE QD 9.600 . 10.100 2.696 2.261 3.545 . 0 0 "[ . 1 . 2 .]" 1
235 1 22 GLU QG 1 38 PHE QE 9.600 . 10.100 3.416 2.857 4.790 . 0 0 "[ . 1 . 2 .]" 1
236 1 23 MET H 1 23 MET QB . . 3.760 2.619 2.563 2.676 . 0 0 "[ . 1 . 2 .]" 1
237 1 23 MET H 1 23 MET QG 4.430 . 4.750 3.353 2.919 3.756 . 0 0 "[ . 1 . 2 .]" 1
238 1 23 MET H 1 38 PHE QD 8.550 . 9.050 3.861 3.234 4.422 . 0 0 "[ . 1 . 2 .]" 1
239 1 23 MET HA 1 24 ILE H 2.490 . 2.990 2.338 2.286 2.385 . 0 0 "[ . 1 . 2 .]" 1
240 1 23 MET HA 1 35 TRP HE3 5.500 . 6.000 3.496 3.258 3.716 . 0 0 "[ . 1 . 2 .]" 1
241 1 23 MET HA 1 36 PHE H 4.690 . 5.190 4.839 4.785 4.904 . 0 0 "[ . 1 . 2 .]" 1
242 1 23 MET HA 1 37 HIS HA 3.550 . 4.050 2.891 2.735 3.024 . 0 0 "[ . 1 . 2 .]" 1
243 1 23 MET HA 1 38 PHE H 3.240 . 3.740 3.007 2.714 3.282 . 0 0 "[ . 1 . 2 .]" 1
244 1 23 MET HA 1 38 PHE QD 8.550 . 9.050 3.088 2.562 3.613 . 0 0 "[ . 1 . 2 .]" 1
245 1 23 MET HA 1 38 PHE QE 8.550 . 9.050 4.595 4.072 5.033 . 0 0 "[ . 1 . 2 .]" 1
246 1 23 MET QB 1 24 ILE H 3.320 . 3.820 2.635 2.482 2.769 . 0 0 "[ . 1 . 2 .]" 1
247 1 23 MET QB 1 24 ILE MG 8.800 . 9.300 4.585 4.510 4.663 . 0 0 "[ . 1 . 2 .]" 1
248 1 23 MET QB 1 35 TRP HE3 3.870 . 4.370 2.348 2.188 2.521 . 0 0 "[ . 1 . 2 .]" 1
249 1 23 MET QB 1 35 TRP HZ3 5.960 . 6.460 2.647 2.351 3.041 . 0 0 "[ . 1 . 2 .]" 1
250 1 23 MET QB 1 36 PHE H 6.170 . 6.670 4.310 4.109 4.499 . 0 0 "[ . 1 . 2 .]" 1
251 1 23 MET QB 1 37 HIS HD2 6.170 . 6.670 4.703 4.136 5.193 . 0 0 "[ . 1 . 2 .]" 1
252 1 23 MET QB 1 38 PHE QD 9.600 . 10.100 4.660 4.393 4.970 . 0 0 "[ . 1 . 2 .]" 1
253 1 23 MET QG 1 24 ILE H 6.140 . 6.640 3.949 3.827 4.038 . 0 0 "[ . 1 . 2 .]" 1
254 1 23 MET QG 1 37 HIS HA 6.170 . 6.670 3.674 3.314 4.188 . 0 0 "[ . 1 . 2 .]" 1
255 1 23 MET QG 1 37 HIS HD2 6.170 . 6.670 3.050 2.294 3.767 . 0 0 "[ . 1 . 2 .]" 1
256 1 24 ILE H 1 24 ILE HB 3.110 . 3.610 3.219 3.183 3.250 . 0 0 "[ . 1 . 2 .]" 1
257 1 24 ILE H 1 24 ILE MG 4.300 . 4.800 2.584 2.513 2.683 . 0 0 "[ . 1 . 2 .]" 1
258 1 24 ILE H 1 25 GLY H 3.610 . 4.110 3.712 3.659 3.752 . 0 0 "[ . 1 . 2 .]" 1
259 1 24 ILE H 1 35 TRP HA 4.260 . 4.760 4.513 4.442 4.546 . 0 0 "[ . 1 . 2 .]" 1
260 1 24 ILE H 1 35 TRP HE3 4.450 . 4.950 2.336 2.312 2.405 . 0 0 "[ . 1 . 2 .]" 1
261 1 24 ILE H 1 35 TRP HZ3 4.480 . 4.980 2.806 2.626 2.961 . 0 0 "[ . 1 . 2 .]" 1
262 1 24 ILE H 1 36 PHE H 3.140 . 3.640 2.900 2.782 2.991 . 0 0 "[ . 1 . 2 .]" 1
263 1 24 ILE H 1 36 PHE QB 5.380 . 5.880 4.258 4.207 4.314 . 0 0 "[ . 1 . 2 .]" 1
264 1 24 ILE H 1 36 PHE QD 8.550 . 9.050 5.565 5.431 5.651 . 0 0 "[ . 1 . 2 .]" 1
265 1 24 ILE H 1 37 HIS HA 3.700 . 4.200 3.595 3.527 3.664 . 0 0 "[ . 1 . 2 .]" 1
266 1 24 ILE H 1 38 PHE H 4.070 . 4.570 4.224 4.143 4.267 . 0 0 "[ . 1 . 2 .]" 1
267 1 24 ILE H 1 38 PHE QD 8.140 . 8.640 3.584 3.470 3.727 . 0 0 "[ . 1 . 2 .]" 1
268 1 24 ILE H 1 38 PHE QE 8.310 . 8.810 4.570 4.298 4.843 . 0 0 "[ . 1 . 2 .]" 1
269 1 24 ILE H 1 41 VAL QG 8.800 . 9.300 5.970 5.572 6.458 . 0 0 "[ . 1 . 2 .]" 1
270 1 24 ILE H 1 43 LEU QD 8.800 . 9.300 5.357 4.868 5.700 . 0 0 "[ . 1 . 2 .]" 1
271 1 24 ILE HA 1 25 GLY QA 6.170 . 6.670 4.111 4.084 4.144 . 0 0 "[ . 1 . 2 .]" 1
272 1 24 ILE HA 1 35 TRP HE3 5.500 . 6.000 4.583 4.459 4.709 . 0 0 "[ . 1 . 2 .]" 1
273 1 24 ILE HA 1 38 PHE QE 8.550 . 9.050 3.558 3.421 3.794 . 0 0 "[ . 1 . 2 .]" 1
274 1 24 ILE HB 1 25 GLY H 3.330 . 3.830 3.457 3.435 3.486 . 0 0 "[ . 1 . 2 .]" 1
275 1 24 ILE HB 1 38 PHE QD 6.850 . 7.350 2.596 2.278 2.969 . 0 0 "[ . 1 . 2 .]" 1
276 1 24 ILE HB 1 38 PHE QE 5.770 . 6.270 2.268 2.194 2.411 . 0 0 "[ . 1 . 2 .]" 1
277 1 24 ILE HB 1 43 LEU QD 6.420 . 6.920 3.289 2.764 3.542 . 0 0 "[ . 1 . 2 .]" 1
278 1 24 ILE MD 1 25 GLY H 5.640 . 6.140 3.303 3.106 3.519 . 0 0 "[ . 1 . 2 .]" 1
279 1 24 ILE MD 1 38 PHE QD 11.620 . 12.120 4.248 3.585 4.574 . 0 0 "[ . 1 . 2 .]" 1
280 1 24 ILE MD 1 38 PHE QE 9.530 . 10.030 2.763 2.498 3.096 . 0 0 "[ . 1 . 2 .]" 1
281 1 24 ILE MD 1 41 VAL QG 12.240 . 12.740 5.077 3.545 5.683 . 0 0 "[ . 1 . 2 .]" 1
282 1 24 ILE MD 1 43 LEU QD . . 9.610 3.285 1.977 3.713 . 0 0 "[ . 1 . 2 .]" 1
283 1 24 ILE MD 1 46 LYS HA 5.270 . 5.770 4.267 3.676 4.418 . 0 0 "[ . 1 . 2 .]" 1
284 1 24 ILE MD 1 46 LYS QG 6.380 . 6.880 3.846 3.170 4.601 . 0 0 "[ . 1 . 2 .]" 1
285 1 24 ILE MD 1 47 PRO QB 8.800 . 9.300 4.175 3.764 5.218 . 0 0 "[ . 1 . 2 .]" 1
286 1 24 ILE MD 1 47 PRO QD . . 5.620 2.710 2.355 3.159 . 0 0 "[ . 1 . 2 .]" 1
287 1 24 ILE MD 1 47 PRO QG 7.970 . 8.470 2.472 2.090 3.474 . 0 0 "[ . 1 . 2 .]" 1
288 1 24 ILE MD 1 51 TRP H 7.840 . 8.340 4.853 4.528 5.389 . 0 0 "[ . 1 . 2 .]" 1
289 1 24 ILE MD 1 51 TRP HB2 5.750 . 6.250 3.643 2.787 4.322 . 0 0 "[ . 1 . 2 .]" 1
290 1 24 ILE MD 1 51 TRP HB3 6.230 . 6.730 3.365 2.863 3.927 . 0 0 "[ . 1 . 2 .]" 1
291 1 24 ILE MD 1 51 TRP HE3 5.720 . 6.220 4.194 3.560 4.524 . 0 0 "[ . 1 . 2 .]" 1
292 1 24 ILE MD 1 51 TRP HZ3 7.510 . 8.010 5.433 4.701 5.818 . 0 0 "[ . 1 . 2 .]" 1
293 1 24 ILE QG 1 25 GLY H 3.260 . 3.760 1.838 1.758 1.976 0.042 6 0 "[ . 1 . 2 .]" 1
294 1 24 ILE QG 1 38 PHE HA 6.170 . 6.670 5.347 5.160 5.662 . 0 0 "[ . 1 . 2 .]" 1
295 1 24 ILE QG 1 38 PHE QD 9.600 . 10.100 4.444 4.168 4.758 . 0 0 "[ . 1 . 2 .]" 1
296 1 24 ILE QG 1 38 PHE QE 9.250 . 9.750 3.786 3.523 3.978 . 0 0 "[ . 1 . 2 .]" 1
297 1 24 ILE QG 1 47 PRO QD 6.930 . 7.430 3.506 2.897 4.311 . 0 0 "[ . 1 . 2 .]" 1
298 1 24 ILE QG 1 51 TRP HE3 4.650 . 5.150 2.966 2.787 3.227 . 0 0 "[ . 1 . 2 .]" 1
299 1 24 ILE QG 1 51 TRP HZ3 6.170 . 6.670 3.996 3.789 4.293 . 0 0 "[ . 1 . 2 .]" 1
300 1 24 ILE MG 1 25 GLY H 6.120 . 6.620 1.866 1.766 1.967 0.034 20 0 "[ . 1 . 2 .]" 1
301 1 24 ILE MG 1 26 CYS H 7.840 . 8.340 4.652 4.558 4.756 . 0 0 "[ . 1 . 2 .]" 1
302 1 24 ILE MG 1 35 TRP HE3 7.840 . 8.340 4.138 4.092 4.224 . 0 0 "[ . 1 . 2 .]" 1
303 1 24 ILE MG 1 36 PHE H 5.540 . 6.040 3.138 2.995 3.210 . 0 0 "[ . 1 . 2 .]" 1
304 1 24 ILE MG 1 36 PHE QB . . 5.740 2.280 2.150 2.371 . 0 0 "[ . 1 . 2 .]" 1
305 1 24 ILE MG 1 36 PHE QD 9.870 . 10.370 3.770 3.355 3.994 . 0 0 "[ . 1 . 2 .]" 1
306 1 24 ILE MG 1 37 HIS H 7.350 . 7.850 4.275 4.071 4.436 . 0 0 "[ . 1 . 2 .]" 1
307 1 24 ILE MG 1 38 PHE H 7.430 . 7.930 3.569 3.250 3.890 . 0 0 "[ . 1 . 2 .]" 1
308 1 24 ILE MG 1 38 PHE HA 6.160 . 6.660 3.116 2.879 3.263 . 0 0 "[ . 1 . 2 .]" 1
309 1 24 ILE MG 1 38 PHE QD 9.490 . 9.990 2.696 2.512 2.953 . 0 0 "[ . 1 . 2 .]" 1
310 1 24 ILE MG 1 38 PHE QE 10.190 . 10.690 3.689 3.595 3.799 . 0 0 "[ . 1 . 2 .]" 1
311 1 24 ILE MG 1 41 VAL H 7.840 . 8.340 5.137 4.955 5.318 . 0 0 "[ . 1 . 2 .]" 1
312 1 24 ILE MG 1 41 VAL HB 7.610 . 8.110 4.667 4.396 4.984 . 0 0 "[ . 1 . 2 .]" 1
313 1 24 ILE MG 1 41 VAL QG . . 9.780 2.997 2.648 3.316 . 0 0 "[ . 1 . 2 .]" 1
314 1 24 ILE MG 1 43 LEU QD . . 9.320 2.320 2.127 2.563 . 0 0 "[ . 1 . 2 .]" 1
315 1 24 ILE MG 1 51 TRP HD1 7.840 . 8.340 5.237 4.792 5.537 . 0 0 "[ . 1 . 2 .]" 1
316 1 24 ILE MG 1 51 TRP HE1 7.840 . 8.340 4.419 3.825 4.794 . 0 0 "[ . 1 . 2 .]" 1
317 1 24 ILE MG 1 51 TRP HE3 6.280 . 6.780 3.868 3.679 4.111 . 0 0 "[ . 1 . 2 .]" 1
318 1 24 ILE MG 1 51 TRP HH2 6.050 . 6.550 3.413 3.244 3.682 . 0 0 "[ . 1 . 2 .]" 1
319 1 24 ILE MG 1 51 TRP HZ2 6.200 . 6.700 3.676 3.232 4.020 . 0 0 "[ . 1 . 2 .]" 1
320 1 24 ILE MG 1 51 TRP HZ3 5.380 . 5.880 3.431 3.188 3.744 . 0 0 "[ . 1 . 2 .]" 1
321 1 24 ILE MG 1 54 PRO QD 8.470 . 8.970 5.427 5.205 5.837 . 0 0 "[ . 1 . 2 .]" 1
322 1 25 GLY H 1 26 CYS H 3.670 . 4.170 3.825 3.798 3.870 . 0 0 "[ . 1 . 2 .]" 1
323 1 25 GLY H 1 35 TRP HA 4.850 . 5.350 3.896 3.739 3.971 . 0 0 "[ . 1 . 2 .]" 1
324 1 25 GLY H 1 35 TRP HE3 4.660 . 5.160 4.853 4.820 4.883 . 0 0 "[ . 1 . 2 .]" 1
325 1 25 GLY H 1 38 PHE QE 8.550 . 9.050 5.597 5.527 5.761 . 0 0 "[ . 1 . 2 .]" 1
326 1 25 GLY H 1 43 LEU QD 8.800 . 9.300 4.763 4.527 5.020 . 0 0 "[ . 1 . 2 .]" 1
327 1 25 GLY QA 1 26 CYS H 3.110 . 3.610 2.013 1.999 2.035 . 0 0 "[ . 1 . 2 .]" 1
328 1 25 GLY QA 1 35 TRP HA 4.680 . 5.180 1.846 1.819 1.871 . 0 0 "[ . 1 . 2 .]" 1
329 1 25 GLY QA 1 35 TRP HE3 6.170 . 6.670 4.217 4.118 4.377 . 0 0 "[ . 1 . 2 .]" 1
330 1 25 GLY QA 1 51 TRP HZ3 6.170 . 6.670 3.091 2.926 3.350 . 0 0 "[ . 1 . 2 .]" 1
331 1 26 CYS H 1 26 CYS HB2 2.990 . 3.490 2.644 2.550 2.721 . 0 0 "[ . 1 . 2 .]" 1
332 1 26 CYS H 1 26 CYS HB3 2.860 . 3.360 2.583 2.466 2.887 . 0 0 "[ . 1 . 2 .]" 1
333 1 26 CYS H 1 27 ASP H 4.790 . 5.290 4.529 4.467 4.586 . 0 0 "[ . 1 . 2 .]" 1
334 1 26 CYS H 1 33 ILE MG 7.840 . 8.340 4.809 4.518 5.102 . 0 0 "[ . 1 . 2 .]" 1
335 1 26 CYS H 1 34 GLU H 4.910 . 5.410 4.801 4.511 4.916 . 0 0 "[ . 1 . 2 .]" 1
336 1 26 CYS H 1 34 GLU HA 4.320 . 4.820 4.064 3.902 4.133 . 0 0 "[ . 1 . 2 .]" 1
337 1 26 CYS H 1 35 TRP HA 3.550 . 4.050 3.606 3.574 3.656 . 0 0 "[ . 1 . 2 .]" 1
338 1 26 CYS H 1 36 PHE H 4.790 . 5.290 4.600 4.472 4.792 . 0 0 "[ . 1 . 2 .]" 1
339 1 26 CYS H 1 36 PHE QD 8.070 . 8.570 2.157 2.008 2.414 . 0 0 "[ . 1 . 2 .]" 1
340 1 26 CYS H 1 36 PHE QE 7.580 . 8.080 2.693 2.417 2.940 . 0 0 "[ . 1 . 2 .]" 1
341 1 26 CYS H 1 36 PHE HZ 5.500 . 6.000 5.090 4.872 5.260 . 0 0 "[ . 1 . 2 .]" 1
342 1 26 CYS H 1 51 TRP HE3 4.790 . 5.290 3.721 3.581 3.978 . 0 0 "[ . 1 . 2 .]" 1
343 1 26 CYS H 1 51 TRP HZ3 4.230 . 4.730 2.501 2.436 2.604 . 0 0 "[ . 1 . 2 .]" 1
344 1 26 CYS H 1 52 PHE QD 8.550 . 9.050 7.006 6.715 7.497 . 0 0 "[ . 1 . 2 .]" 1
345 1 26 CYS H 1 53 CYS HB2 5.500 . 6.000 5.287 5.018 5.428 . 0 0 "[ . 1 . 2 .]" 1
346 1 26 CYS HA 1 26 CYS HB2 2.960 . 3.460 2.463 2.424 2.562 . 0 0 "[ . 1 . 2 .]" 1
347 1 26 CYS HA 1 27 ASP H 3.080 . 3.580 2.118 2.095 2.157 . 0 0 "[ . 1 . 2 .]" 1
348 1 26 CYS HA 1 27 ASP QB 5.580 . 6.080 4.242 4.129 4.327 . 0 0 "[ . 1 . 2 .]" 1
349 1 26 CYS HA 1 28 ASP H 3.760 . 4.260 3.670 3.450 3.755 . 0 0 "[ . 1 . 2 .]" 1
350 1 26 CYS HA 1 36 PHE QE 8.550 . 9.050 4.749 4.400 5.023 . 0 0 "[ . 1 . 2 .]" 1
351 1 26 CYS HA 1 51 TRP HE3 3.450 . 3.950 2.096 2.004 2.217 . 0 0 "[ . 1 . 2 .]" 1
352 1 26 CYS HA 1 51 TRP HZ3 3.420 . 3.920 2.855 2.448 3.038 . 0 0 "[ . 1 . 2 .]" 1
353 1 26 CYS HB2 1 28 ASP H 5.070 . 5.570 4.305 4.025 4.417 . 0 0 "[ . 1 . 2 .]" 1
354 1 26 CYS HB2 1 34 GLU HA 5.500 . 6.000 5.470 5.195 5.537 . 0 0 "[ . 1 . 2 .]" 1
355 1 26 CYS HB2 1 36 PHE QD 8.350 . 8.850 3.578 3.500 3.817 . 0 0 "[ . 1 . 2 .]" 1
356 1 26 CYS HB2 1 36 PHE QE 6.400 . 6.900 2.908 2.404 3.206 . 0 0 "[ . 1 . 2 .]" 1
357 1 26 CYS HB2 1 36 PHE HZ 5.380 . 5.880 4.396 4.035 4.729 . 0 0 "[ . 1 . 2 .]" 1
358 1 26 CYS HB2 1 51 TRP HE3 4.480 . 4.980 3.851 3.707 4.105 . 0 0 "[ . 1 . 2 .]" 1
359 1 26 CYS HB2 1 51 TRP HH2 5.500 . 6.000 4.388 4.184 4.496 . 0 0 "[ . 1 . 2 .]" 1
360 1 26 CYS HB2 1 51 TRP HZ3 3.550 . 4.050 2.699 2.528 2.811 . 0 0 "[ . 1 . 2 .]" 1
361 1 26 CYS HB2 1 53 CYS H 3.890 . 4.390 2.190 2.013 2.673 . 0 0 "[ . 1 . 2 .]" 1
362 1 26 CYS HB2 1 53 CYS HA 5.500 . 6.000 3.999 3.877 4.254 . 0 0 "[ . 1 . 2 .]" 1
363 1 26 CYS HB2 1 53 CYS HB2 3.730 . 4.230 3.828 3.804 3.871 . 0 0 "[ . 1 . 2 .]" 1
364 1 26 CYS HB3 1 27 ASP H 4.910 . 5.410 4.266 4.091 4.353 . 0 0 "[ . 1 . 2 .]" 1
365 1 26 CYS HB3 1 28 ASP H 4.230 . 4.730 3.364 2.811 3.594 . 0 0 "[ . 1 . 2 .]" 1
366 1 26 CYS HB3 1 34 GLU HA 5.500 . 6.000 4.039 3.874 4.417 . 0 0 "[ . 1 . 2 .]" 1
367 1 26 CYS HB3 1 36 PHE QE 8.000 . 8.500 2.807 2.629 3.237 . 0 0 "[ . 1 . 2 .]" 1
368 1 26 CYS HB3 1 36 PHE HZ 5.500 . 6.000 4.638 4.479 4.946 . 0 0 "[ . 1 . 2 .]" 1
369 1 26 CYS HB3 1 51 TRP HE3 5.500 . 6.000 4.841 4.723 4.982 . 0 0 "[ . 1 . 2 .]" 1
370 1 26 CYS HB3 1 51 TRP HZ3 3.830 . 4.330 3.952 3.899 4.013 . 0 0 "[ . 1 . 2 .]" 1
371 1 26 CYS HB3 1 53 CYS H 4.040 . 4.540 3.703 3.586 3.980 . 0 0 "[ . 1 . 2 .]" 1
372 1 26 CYS HB3 1 53 CYS HB2 5.500 . 6.000 5.187 5.085 5.378 . 0 0 "[ . 1 . 2 .]" 1
373 1 26 CYS HB3 1 53 CYS HB3 5.500 . 6.000 3.613 3.469 3.906 . 0 0 "[ . 1 . 2 .]" 1
374 1 27 ASP H 1 27 ASP QB 2.970 . 3.470 2.295 2.194 2.359 . 0 0 "[ . 1 . 2 .]" 1
375 1 27 ASP H 1 28 ASP H 3.020 . 3.520 2.940 2.811 3.023 . 0 0 "[ . 1 . 2 .]" 1
376 1 27 ASP H 1 50 LYS QB 7.160 . 7.660 5.775 4.198 6.453 . 0 0 "[ . 1 . 2 .]" 1
377 1 27 ASP H 1 50 LYS QG 7.160 . 7.660 5.222 4.134 6.431 . 0 0 "[ . 1 . 2 .]" 1
378 1 27 ASP H 1 50 LYS QZ 6.610 . 7.110 4.064 3.465 4.852 . 0 0 "[ . 1 . 2 .]" 1
379 1 27 ASP H 1 51 TRP H 3.580 . 4.080 3.538 3.238 3.659 . 0 0 "[ . 1 . 2 .]" 1
380 1 27 ASP H 1 51 TRP HE3 3.420 . 3.920 3.322 3.024 3.503 . 0 0 "[ . 1 . 2 .]" 1
381 1 27 ASP H 1 52 PHE HA 4.140 . 4.640 3.471 3.209 3.703 . 0 0 "[ . 1 . 2 .]" 1
382 1 27 ASP H 1 52 PHE QD 7.790 . 8.290 4.589 4.045 5.203 . 0 0 "[ . 1 . 2 .]" 1
383 1 27 ASP HA 1 28 ASP H 3.420 . 3.920 3.338 3.230 3.422 . 0 0 "[ . 1 . 2 .]" 1
384 1 27 ASP HA 1 50 LYS QZ 6.610 . 7.110 3.864 3.475 4.244 . 0 0 "[ . 1 . 2 .]" 1
385 1 27 ASP HA 1 51 TRP H 5.070 . 5.570 5.061 4.911 5.133 . 0 0 "[ . 1 . 2 .]" 1
386 1 27 ASP HA 1 52 PHE QD 8.550 . 9.050 6.461 5.738 7.188 . 0 0 "[ . 1 . 2 .]" 1
387 1 27 ASP QB 1 28 ASP H 4.300 . 4.800 3.491 3.267 3.618 . 0 0 "[ . 1 . 2 .]" 1
388 1 27 ASP QB 1 50 LYS QB 8.040 . 8.540 3.703 2.113 4.676 . 0 0 "[ . 1 . 2 .]" 1
389 1 27 ASP QB 1 50 LYS QG 8.040 . 8.540 3.107 1.992 3.999 . 0 0 "[ . 1 . 2 .]" 1
390 1 27 ASP QB 1 50 LYS QZ . . 5.870 1.948 1.682 2.443 0.118 5 0 "[ . 1 . 2 .]" 1
391 1 27 ASP QB 1 51 TRP H 3.770 . 4.270 3.035 2.725 3.272 . 0 0 "[ . 1 . 2 .]" 1
392 1 27 ASP QB 1 52 PHE QD 9.600 . 10.100 4.517 3.860 5.039 . 0 0 "[ . 1 . 2 .]" 1
393 1 28 ASP H 1 28 ASP QB 3.080 . 3.580 2.106 1.901 2.172 . 0 0 "[ . 1 . 2 .]" 1
394 1 28 ASP H 1 29 PRO QD 5.510 . 6.010 4.266 4.198 4.305 . 0 0 "[ . 1 . 2 .]" 1
395 1 28 ASP H 1 31 CYS H 4.600 . 5.100 4.733 4.676 4.782 . 0 0 "[ . 1 . 2 .]" 1
396 1 28 ASP H 1 31 CYS HB2 4.320 . 4.820 3.626 3.472 3.759 . 0 0 "[ . 1 . 2 .]" 1
397 1 28 ASP H 1 31 CYS HB3 4.660 . 5.160 4.653 4.534 4.808 . 0 0 "[ . 1 . 2 .]" 1
398 1 28 ASP H 1 50 LYS QZ 6.300 . 6.800 3.946 3.077 5.326 . 0 0 "[ . 1 . 2 .]" 1
399 1 28 ASP H 1 52 PHE HA 4.260 . 4.760 4.385 4.299 4.490 . 0 0 "[ . 1 . 2 .]" 1
400 1 28 ASP H 1 52 PHE QD 7.690 . 8.190 4.076 3.369 4.975 . 0 0 "[ . 1 . 2 .]" 1
401 1 28 ASP HA 1 29 PRO QD 3.210 . 3.710 2.090 2.077 2.101 . 0 0 "[ . 1 . 2 .]" 1
402 1 28 ASP HA 1 29 PRO QG 5.130 . 5.630 4.026 4.012 4.041 . 0 0 "[ . 1 . 2 .]" 1
403 1 28 ASP HA 1 30 ASP H 3.550 . 4.050 3.578 3.546 3.605 . 0 0 "[ . 1 . 2 .]" 1
404 1 28 ASP HA 1 50 LYS QZ 6.610 . 7.110 3.451 2.468 5.515 . 0 0 "[ . 1 . 2 .]" 1
405 1 28 ASP HA 1 52 PHE QD 8.550 . 9.050 5.028 4.299 5.893 . 0 0 "[ . 1 . 2 .]" 1
406 1 28 ASP QB 1 31 CYS H 3.640 . 4.140 3.158 3.028 3.332 . 0 0 "[ . 1 . 2 .]" 1
407 1 28 ASP QB 1 31 CYS HB2 4.990 . 5.490 2.063 2.016 2.114 . 0 0 "[ . 1 . 2 .]" 1
408 1 28 ASP QB 1 31 CYS HB3 3.910 . 4.410 3.553 3.531 3.579 . 0 0 "[ . 1 . 2 .]" 1
409 1 28 ASP QB 1 52 PHE QD 9.600 . 10.100 3.184 2.675 3.818 . 0 0 "[ . 1 . 2 .]" 1
410 1 28 ASP QB 1 56 CYS HB3 6.170 . 6.670 3.872 3.189 4.596 . 0 0 "[ . 1 . 2 .]" 1
411 1 29 PRO HA 1 31 CYS H 3.580 . 4.080 3.665 3.647 3.695 . 0 0 "[ . 1 . 2 .]" 1
412 1 29 PRO QB 1 30 ASP H 4.400 . 4.900 3.897 3.868 3.931 . 0 0 "[ . 1 . 2 .]" 1
413 1 29 PRO QD 1 30 ASP H 4.250 . 4.410 2.904 2.819 2.975 . 0 0 "[ . 1 . 2 .]" 1
414 1 29 PRO QD 1 31 CYS H 6.170 . 6.670 4.455 4.376 4.522 . 0 0 "[ . 1 . 2 .]" 1
415 1 29 PRO QG 1 30 ASP H 6.170 . 6.670 3.347 3.262 3.470 . 0 0 "[ . 1 . 2 .]" 1
416 1 30 ASP H 1 30 ASP QB 3.390 . 3.760 2.513 2.460 2.580 . 0 0 "[ . 1 . 2 .]" 1
417 1 30 ASP H 1 31 CYS H 2.490 . 2.990 2.043 1.907 2.113 . 0 0 "[ . 1 . 2 .]" 1
418 1 30 ASP H 1 31 CYS HB3 4.380 . 4.880 4.435 4.426 4.454 . 0 0 "[ . 1 . 2 .]" 1
419 1 30 ASP HA 1 31 CYS H 3.550 . 4.050 3.290 3.244 3.324 . 0 0 "[ . 1 . 2 .]" 1
420 1 30 ASP QB 1 31 CYS H 5.200 . 5.700 3.607 3.564 3.638 . 0 0 "[ . 1 . 2 .]" 1
421 1 31 CYS H 1 31 CYS HB2 3.480 . 3.980 2.413 2.257 2.455 . 0 0 "[ . 1 . 2 .]" 1
422 1 31 CYS H 1 31 CYS HB3 2.620 . 3.120 2.492 2.432 2.623 . 0 0 "[ . 1 . 2 .]" 1
423 1 31 CYS H 1 32 SER H 4.820 . 5.320 4.517 4.407 4.558 . 0 0 "[ . 1 . 2 .]" 1
424 1 31 CYS H 1 34 GLU H 5.500 . 6.000 5.043 4.863 5.220 . 0 0 "[ . 1 . 2 .]" 1
425 1 31 CYS HA 1 32 SER H 2.650 . 3.150 2.098 2.006 2.139 . 0 0 "[ . 1 . 2 .]" 1
426 1 31 CYS HA 1 33 ILE H 4.070 . 4.570 3.741 3.474 3.827 . 0 0 "[ . 1 . 2 .]" 1
427 1 31 CYS HB2 1 33 ILE H 4.420 . 4.920 4.431 4.396 4.450 . 0 0 "[ . 1 . 2 .]" 1
428 1 31 CYS HB2 1 34 GLU H 4.170 . 4.670 4.003 3.937 4.059 . 0 0 "[ . 1 . 2 .]" 1
429 1 31 CYS HB2 1 34 GLU HA 3.980 . 4.480 4.000 3.788 4.046 . 0 0 "[ . 1 . 2 .]" 1
430 1 31 CYS HB2 1 34 GLU QB 6.170 . 6.670 5.160 4.895 5.233 . 0 0 "[ . 1 . 2 .]" 1
431 1 31 CYS HB3 1 32 SER H 4.010 . 4.510 4.145 4.102 4.205 . 0 0 "[ . 1 . 2 .]" 1
432 1 31 CYS HB3 1 34 GLU H 4.320 . 4.820 2.757 2.596 2.942 . 0 0 "[ . 1 . 2 .]" 1
433 1 32 SER H 1 33 ILE QG 6.170 . 6.670 4.061 3.618 4.546 . 0 0 "[ . 1 . 2 .]" 1
434 1 32 SER H 1 34 GLU H 4.230 . 4.730 4.211 4.134 4.264 . 0 0 "[ . 1 . 2 .]" 1
435 1 32 SER HA 1 34 GLU H 5.500 . 6.000 4.754 4.620 4.834 . 0 0 "[ . 1 . 2 .]" 1
436 1 32 SER QB 1 33 ILE H 4.680 . 4.870 3.516 3.382 3.905 . 0 0 "[ . 1 . 2 .]" 1
437 1 33 ILE H 1 33 ILE HB 2.740 . 3.240 2.515 2.456 2.557 . 0 0 "[ . 1 . 2 .]" 1
438 1 33 ILE H 1 33 ILE QG 3.770 . 4.270 3.113 2.758 3.341 . 0 0 "[ . 1 . 2 .]" 1
439 1 33 ILE H 1 34 GLU H 2.770 . 3.270 1.801 1.781 1.898 0.019 13 0 "[ . 1 . 2 .]" 1
440 1 33 ILE H 1 36 PHE QE 8.550 . 9.050 4.318 4.147 4.546 . 0 0 "[ . 1 . 2 .]" 1
441 1 33 ILE H 1 36 PHE HZ 4.380 . 4.880 4.405 4.304 4.443 . 0 0 "[ . 1 . 2 .]" 1
442 1 33 ILE HA 1 34 GLU H 3.480 . 3.980 3.520 3.508 3.536 . 0 0 "[ . 1 . 2 .]" 1
443 1 33 ILE HA 1 35 TRP H 4.910 . 5.410 4.201 4.117 4.337 . 0 0 "[ . 1 . 2 .]" 1
444 1 33 ILE HB 1 34 GLU H 3.110 . 3.610 2.788 2.593 2.997 . 0 0 "[ . 1 . 2 .]" 1
445 1 33 ILE HB 1 36 PHE QE 6.880 . 7.380 3.054 2.712 3.413 . 0 0 "[ . 1 . 2 .]" 1
446 1 33 ILE HB 1 36 PHE HZ 3.550 . 4.050 2.340 2.200 2.565 . 0 0 "[ . 1 . 2 .]" 1
447 1 33 ILE MD 1 34 GLU H 6.980 . 7.480 4.854 4.768 4.951 . 0 0 "[ . 1 . 2 .]" 1
448 1 33 ILE MD 1 36 PHE QD 11.660 . 12.160 4.925 4.214 5.606 . 0 0 "[ . 1 . 2 .]" 1
449 1 33 ILE MD 1 36 PHE QE 9.610 . 10.110 3.520 2.723 4.319 . 0 0 "[ . 1 . 2 .]" 1
450 1 33 ILE MD 1 36 PHE HZ 5.040 . 5.540 3.505 2.359 4.255 . 0 0 "[ . 1 . 2 .]" 1
451 1 33 ILE MD 1 55 ARG QD 9.980 . 10.480 4.207 2.410 6.985 . 0 0 "[ . 1 . 2 .]" 1
452 1 33 ILE QG 1 34 GLU H 6.170 . 6.670 4.192 3.986 4.378 . 0 0 "[ . 1 . 2 .]" 1
453 1 33 ILE QG 1 36 PHE QE 9.600 . 10.100 3.929 3.216 4.529 . 0 0 "[ . 1 . 2 .]" 1
454 1 33 ILE QG 1 36 PHE HZ 6.170 . 6.360 3.456 2.649 4.332 . 0 0 "[ . 1 . 2 .]" 1
455 1 33 ILE MG 1 34 GLU H 5.640 . 6.140 3.308 3.095 3.492 . 0 0 "[ . 1 . 2 .]" 1
456 1 33 ILE MG 1 35 TRP H 5.720 . 6.220 2.600 2.337 2.842 . 0 0 "[ . 1 . 2 .]" 1
457 1 33 ILE MG 1 36 PHE HA 7.690 . 8.190 3.859 3.694 4.036 . 0 0 "[ . 1 . 2 .]" 1
458 1 33 ILE MG 1 36 PHE QD 10.290 . 10.790 3.315 3.191 3.480 . 0 0 "[ . 1 . 2 .]" 1
459 1 33 ILE MG 1 36 PHE QE 9.410 . 9.910 2.604 2.548 2.713 . 0 0 "[ . 1 . 2 .]" 1
460 1 33 ILE MG 1 36 PHE HZ 4.970 . 5.470 2.738 2.672 2.833 . 0 0 "[ . 1 . 2 .]" 1
461 1 33 ILE MG 1 51 TRP HH2 7.840 . 8.340 5.806 5.565 6.071 . 0 0 "[ . 1 . 2 .]" 1
462 1 34 GLU H 1 34 GLU HA 2.490 . 2.990 2.184 2.172 2.198 . 0 0 "[ . 1 . 2 .]" 1
463 1 34 GLU H 1 35 TRP H 3.640 . 4.140 3.472 3.296 3.612 . 0 0 "[ . 1 . 2 .]" 1
464 1 34 GLU H 1 36 PHE QE 7.690 . 8.190 3.300 3.057 3.567 . 0 0 "[ . 1 . 2 .]" 1
465 1 34 GLU H 1 36 PHE HZ 4.260 . 4.760 4.307 4.268 4.348 . 0 0 "[ . 1 . 2 .]" 1
466 1 34 GLU HA 1 36 PHE QE 8.550 . 9.050 3.955 3.719 4.292 . 0 0 "[ . 1 . 2 .]" 1
467 1 34 GLU QB 1 35 TRP H 5.340 . 5.380 3.491 3.386 3.743 . 0 0 "[ . 1 . 2 .]" 1
468 1 34 GLU QB 1 35 TRP HD1 5.610 . 6.110 5.045 5.014 5.067 . 0 0 "[ . 1 . 2 .]" 1
469 1 34 GLU QG 1 35 TRP H 4.190 . 4.690 2.684 2.546 2.932 . 0 0 "[ . 1 . 2 .]" 1
470 1 34 GLU QG 1 35 TRP HD1 3.740 . 4.240 3.339 3.057 3.385 . 0 0 "[ . 1 . 2 .]" 1
471 1 35 TRP H 1 35 TRP HB3 3.760 . 4.260 2.779 2.705 3.002 . 0 0 "[ . 1 . 2 .]" 1
472 1 35 TRP H 1 35 TRP HD1 4.350 . 4.850 3.115 2.979 3.261 . 0 0 "[ . 1 . 2 .]" 1
473 1 35 TRP H 1 35 TRP HE1 5.500 . 6.000 5.146 5.000 5.302 . 0 0 "[ . 1 . 2 .]" 1
474 1 35 TRP H 1 36 PHE H 4.570 . 5.070 4.429 4.370 4.466 . 0 0 "[ . 1 . 2 .]" 1
475 1 35 TRP H 1 36 PHE QE 8.550 . 9.050 4.042 3.931 4.208 . 0 0 "[ . 1 . 2 .]" 1
476 1 35 TRP HA 1 35 TRP HD1 4.690 . 5.190 4.574 4.542 4.599 . 0 0 "[ . 1 . 2 .]" 1
477 1 35 TRP HA 1 36 PHE H 2.520 . 3.020 2.245 2.207 2.285 . 0 0 "[ . 1 . 2 .]" 1
478 1 35 TRP HA 1 36 PHE QD 8.550 . 9.050 3.179 3.094 3.286 . 0 0 "[ . 1 . 2 .]" 1
479 1 35 TRP HB2 1 35 TRP HD1 3.790 . 4.290 3.731 3.711 3.772 . 0 0 "[ . 1 . 2 .]" 1
480 1 35 TRP HB2 1 36 PHE H 4.450 . 4.950 2.985 2.929 3.029 . 0 0 "[ . 1 . 2 .]" 1
481 1 35 TRP HB3 1 36 PHE H 4.070 . 4.570 4.184 4.163 4.201 . 0 0 "[ . 1 . 2 .]" 1
482 1 35 TRP HE3 1 36 PHE H 4.070 . 4.570 2.268 2.222 2.328 . 0 0 "[ . 1 . 2 .]" 1
483 1 36 PHE H 1 36 PHE QB 3.320 . 3.820 2.819 2.761 2.893 . 0 0 "[ . 1 . 2 .]" 1
484 1 36 PHE H 1 37 HIS H 4.380 . 4.880 4.291 4.232 4.365 . 0 0 "[ . 1 . 2 .]" 1
485 1 36 PHE HA 1 37 HIS H 2.590 . 3.090 2.260 2.199 2.347 . 0 0 "[ . 1 . 2 .]" 1
486 1 36 PHE QB 1 37 HIS H 3.520 . 4.020 2.674 2.502 2.825 . 0 0 "[ . 1 . 2 .]" 1
487 1 36 PHE QB 1 41 VAL QG 9.840 . 10.340 3.749 3.324 4.127 . 0 0 "[ . 1 . 2 .]" 1
488 1 36 PHE QB 1 51 TRP HH2 5.440 . 5.910 2.332 2.223 2.513 . 0 0 "[ . 1 . 2 .]" 1
489 1 36 PHE QB 1 51 TRP HZ3 6.170 . 6.670 2.935 2.633 3.589 . 0 0 "[ . 1 . 2 .]" 1
490 1 36 PHE QD 1 37 HIS H 7.760 . 8.260 3.863 3.689 4.012 . 0 0 "[ . 1 . 2 .]" 1
491 1 36 PHE QD 1 41 VAL QG 9.760 . 10.260 4.942 4.655 5.135 . 0 0 "[ . 1 . 2 .]" 1
492 1 36 PHE QD 1 51 TRP HE3 8.380 . 8.880 4.588 4.483 4.665 . 0 0 "[ . 1 . 2 .]" 1
493 1 36 PHE QD 1 51 TRP HH2 7.260 . 7.760 3.251 2.934 3.449 . 0 0 "[ . 1 . 2 .]" 1
494 1 36 PHE QD 1 51 TRP HZ2 8.550 . 9.050 5.135 4.811 5.355 . 0 0 "[ . 1 . 2 .]" 1
495 1 36 PHE QD 1 51 TRP HZ3 6.470 . 6.970 2.434 2.330 2.561 . 0 0 "[ . 1 . 2 .]" 1
496 1 36 PHE QD 1 53 CYS HB3 8.550 . 9.050 3.299 3.184 3.440 . 0 0 "[ . 1 . 2 .]" 1
497 1 36 PHE QD 1 54 PRO QD 9.600 . 10.100 3.526 3.371 3.834 . 0 0 "[ . 1 . 2 .]" 1
498 1 36 PHE QE 1 41 VAL QG 12.380 . 12.880 6.082 5.856 6.312 . 0 0 "[ . 1 . 2 .]" 1
499 1 36 PHE QE 1 51 TRP HH2 8.550 . 9.050 4.469 4.057 4.750 . 0 0 "[ . 1 . 2 .]" 1
500 1 36 PHE QE 1 51 TRP HZ3 7.510 . 8.010 3.741 3.252 4.003 . 0 0 "[ . 1 . 2 .]" 1
501 1 36 PHE QE 1 53 CYS H 8.420 . 8.920 4.572 4.475 4.664 . 0 0 "[ . 1 . 2 .]" 1
502 1 36 PHE QE 1 53 CYS HA 8.550 . 9.050 4.777 4.543 4.866 . 0 0 "[ . 1 . 2 .]" 1
503 1 36 PHE QE 1 53 CYS HB2 7.480 . 7.980 3.014 2.924 3.098 . 0 0 "[ . 1 . 2 .]" 1
504 1 36 PHE QE 1 53 CYS HB3 7.310 . 7.810 2.937 2.692 3.071 . 0 0 "[ . 1 . 2 .]" 1
505 1 36 PHE QE 1 54 PRO QD 9.600 . 10.100 3.599 3.409 3.739 . 0 0 "[ . 1 . 2 .]" 1
506 1 36 PHE QE 1 55 ARG H 8.550 . 9.050 5.598 5.065 5.807 . 0 0 "[ . 1 . 2 .]" 1
507 1 36 PHE HZ 1 51 TRP HZ3 5.500 . 6.000 5.410 5.054 5.547 . 0 0 "[ . 1 . 2 .]" 1
508 1 36 PHE HZ 1 53 CYS H 5.160 . 5.660 5.312 5.254 5.392 . 0 0 "[ . 1 . 2 .]" 1
509 1 36 PHE HZ 1 53 CYS HA 5.500 . 6.000 5.503 5.192 5.603 . 0 0 "[ . 1 . 2 .]" 1
510 1 36 PHE HZ 1 54 PRO QD 6.170 . 6.670 4.769 4.396 4.983 . 0 0 "[ . 1 . 2 .]" 1
511 1 37 HIS H 1 37 HIS QB 3.260 . 3.760 2.154 2.095 2.217 . 0 0 "[ . 1 . 2 .]" 1
512 1 37 HIS H 1 37 HIS HD2 5.500 . 6.000 4.807 4.753 4.863 . 0 0 "[ . 1 . 2 .]" 1
513 1 37 HIS H 1 38 PHE H 5.500 . 6.000 4.569 4.530 4.599 . 0 0 "[ . 1 . 2 .]" 1
514 1 37 HIS H 1 40 CYS H 3.670 . 4.170 3.651 3.550 3.737 . 0 0 "[ . 1 . 2 .]" 1
515 1 37 HIS H 1 40 CYS HB2 4.070 . 4.570 2.282 2.202 2.317 . 0 0 "[ . 1 . 2 .]" 1
516 1 37 HIS H 1 40 CYS HB3 3.480 . 3.980 3.480 3.387 3.529 . 0 0 "[ . 1 . 2 .]" 1
517 1 37 HIS H 1 41 VAL QG . . 8.710 5.054 4.585 5.718 . 0 0 "[ . 1 . 2 .]" 1
518 1 37 HIS HA 1 37 HIS HD2 5.100 . 5.600 2.276 2.178 2.346 . 0 0 "[ . 1 . 2 .]" 1
519 1 37 HIS HA 1 38 PHE H 2.550 . 3.050 2.146 2.098 2.188 . 0 0 "[ . 1 . 2 .]" 1
520 1 37 HIS HA 1 38 PHE QD 8.100 . 8.600 4.191 3.973 4.383 . 0 0 "[ . 1 . 2 .]" 1
521 1 37 HIS HA 1 39 ALA H 4.010 . 4.510 3.733 3.678 3.777 . 0 0 "[ . 1 . 2 .]" 1
522 1 37 HIS HA 1 40 CYS H 4.170 . 4.670 4.163 4.114 4.203 . 0 0 "[ . 1 . 2 .]" 1
523 1 37 HIS QB 1 38 PHE H 4.820 . 5.320 3.558 3.523 3.608 . 0 0 "[ . 1 . 2 .]" 1
524 1 37 HIS QB 1 39 ALA H 4.470 . 4.620 2.607 2.502 2.726 . 0 0 "[ . 1 . 2 .]" 1
525 1 37 HIS QB 1 39 ALA MB 8.630 . 9.130 3.627 3.506 3.769 . 0 0 "[ . 1 . 2 .]" 1
526 1 37 HIS QB 1 40 CYS H . . 4.720 2.131 2.067 2.211 . 0 0 "[ . 1 . 2 .]" 1
527 1 37 HIS QB 1 40 CYS HB2 6.170 . 6.670 2.396 2.171 2.603 . 0 0 "[ . 1 . 2 .]" 1
528 1 37 HIS QB 1 40 CYS HB3 6.170 . 6.670 3.759 3.649 3.874 . 0 0 "[ . 1 . 2 .]" 1
529 1 37 HIS HD2 1 38 PHE H 4.570 . 5.070 2.509 2.269 2.830 . 0 0 "[ . 1 . 2 .]" 1
530 1 37 HIS HD2 1 39 ALA H 5.500 . 6.000 4.003 3.591 4.336 . 0 0 "[ . 1 . 2 .]" 1
531 1 38 PHE H 1 38 PHE QB 3.560 . 3.610 2.036 1.961 2.114 . 0 0 "[ . 1 . 2 .]" 1
532 1 38 PHE H 1 39 ALA H 3.300 . 3.800 2.904 2.844 2.935 . 0 0 "[ . 1 . 2 .]" 1
533 1 38 PHE H 1 39 ALA MB 7.030 . 7.530 4.603 4.521 4.652 . 0 0 "[ . 1 . 2 .]" 1
534 1 38 PHE H 1 40 CYS H 3.980 . 4.480 4.126 4.109 4.148 . 0 0 "[ . 1 . 2 .]" 1
535 1 38 PHE H 1 41 VAL QG 8.590 . 9.090 4.860 4.596 5.535 . 0 0 "[ . 1 . 2 .]" 1
536 1 38 PHE H 1 43 LEU QB 5.540 . 6.040 4.962 4.868 5.022 . 0 0 "[ . 1 . 2 .]" 1
537 1 38 PHE H 1 43 LEU QD 8.800 . 9.300 4.861 4.428 5.139 . 0 0 "[ . 1 . 2 .]" 1
538 1 38 PHE HA 1 39 ALA H 3.450 . 3.950 3.405 3.359 3.462 . 0 0 "[ . 1 . 2 .]" 1
539 1 38 PHE HA 1 40 CYS H 5.500 . 6.000 4.142 4.033 4.282 . 0 0 "[ . 1 . 2 .]" 1
540 1 38 PHE HA 1 41 VAL H 4.260 . 4.760 4.291 4.231 4.322 . 0 0 "[ . 1 . 2 .]" 1
541 1 38 PHE HA 1 41 VAL QG 5.420 . 5.920 3.040 2.772 3.576 . 0 0 "[ . 1 . 2 .]" 1
542 1 38 PHE HA 1 43 LEU H 3.480 . 3.980 3.502 3.402 3.589 . 0 0 "[ . 1 . 2 .]" 1
543 1 38 PHE HA 1 43 LEU QB 3.910 . 4.410 2.412 2.351 2.547 . 0 0 "[ . 1 . 2 .]" 1
544 1 38 PHE HA 1 43 LEU QD . . 6.540 2.755 2.318 3.139 . 0 0 "[ . 1 . 2 .]" 1
545 1 38 PHE HA 1 43 LEU HG 5.500 . 6.000 4.337 3.327 4.783 . 0 0 "[ . 1 . 2 .]" 1
546 1 38 PHE QB 1 39 ALA H 4.050 . 4.370 3.356 3.279 3.440 . 0 0 "[ . 1 . 2 .]" 1
547 1 38 PHE QB 1 39 ALA MB 8.800 . 9.300 3.790 3.680 3.869 . 0 0 "[ . 1 . 2 .]" 1
548 1 38 PHE QB 1 43 LEU H 6.170 . 6.670 4.317 4.154 4.464 . 0 0 "[ . 1 . 2 .]" 1
549 1 38 PHE QB 1 43 LEU QB 6.930 . 7.430 3.366 3.119 3.648 . 0 0 "[ . 1 . 2 .]" 1
550 1 38 PHE QB 1 43 LEU QD 9.880 . 10.380 4.123 3.729 4.445 . 0 0 "[ . 1 . 2 .]" 1
551 1 38 PHE QD 1 39 ALA H 8.550 . 9.050 4.945 4.883 5.016 . 0 0 "[ . 1 . 2 .]" 1
552 1 38 PHE QD 1 39 ALA HA 8.550 . 9.050 5.855 5.595 6.034 . 0 0 "[ . 1 . 2 .]" 1
553 1 38 PHE QD 1 41 VAL QG 12.910 . 13.410 4.594 4.367 5.051 . 0 0 "[ . 1 . 2 .]" 1
554 1 38 PHE QD 1 43 LEU H 8.550 . 9.050 4.880 4.407 5.289 . 0 0 "[ . 1 . 2 .]" 1
555 1 38 PHE QD 1 43 LEU QB 8.240 . 8.740 3.020 2.331 3.591 . 0 0 "[ . 1 . 2 .]" 1
556 1 38 PHE QD 1 43 LEU QD . . 11.530 3.327 2.828 3.579 . 0 0 "[ . 1 . 2 .]" 1
557 1 38 PHE QD 1 43 LEU HG 8.550 . 9.050 5.438 4.731 5.934 . 0 0 "[ . 1 . 2 .]" 1
558 1 38 PHE QD 1 44 THR HA 8.550 . 9.050 3.613 2.426 4.967 . 0 0 "[ . 1 . 2 .]" 1
559 1 38 PHE QD 1 45 THR HA 8.550 . 9.050 4.204 3.606 5.077 . 0 0 "[ . 1 . 2 .]" 1
560 1 38 PHE QD 1 46 LYS H 8.550 . 9.050 5.571 5.235 6.116 . 0 0 "[ . 1 . 2 .]" 1
561 1 38 PHE QD 1 46 LYS HA 8.550 . 9.050 5.007 4.532 5.273 . 0 0 "[ . 1 . 2 .]" 1
562 1 38 PHE QE 1 43 LEU QB 9.600 . 10.100 3.623 2.956 4.269 . 0 0 "[ . 1 . 2 .]" 1
563 1 38 PHE QE 1 43 LEU QD . . 11.890 3.345 2.918 3.665 . 0 0 "[ . 1 . 2 .]" 1
564 1 38 PHE QE 1 44 THR HA 8.550 . 9.050 5.006 4.197 6.066 . 0 0 "[ . 1 . 2 .]" 1
565 1 38 PHE QE 1 45 THR HA 7.540 . 8.040 2.850 2.331 3.494 . 0 0 "[ . 1 . 2 .]" 1
566 1 38 PHE QE 1 45 THR MG 11.660 . 12.160 4.753 4.348 5.293 . 0 0 "[ . 1 . 2 .]" 1
567 1 38 PHE QE 1 46 LYS H 8.550 . 9.050 3.494 3.248 3.874 . 0 0 "[ . 1 . 2 .]" 1
568 1 38 PHE QE 1 46 LYS HA 8.550 . 9.050 3.129 2.340 3.528 . 0 0 "[ . 1 . 2 .]" 1
569 1 38 PHE QE 1 47 PRO QD 9.100 . 9.600 3.393 3.125 3.775 . 0 0 "[ . 1 . 2 .]" 1
570 1 39 ALA H 1 39 ALA HA 2.800 . 3.300 2.937 2.928 2.947 . 0 0 "[ . 1 . 2 .]" 1
571 1 39 ALA H 1 40 CYS H 2.960 . 3.460 1.993 1.924 2.073 . 0 0 "[ . 1 . 2 .]" 1
572 1 39 ALA H 1 40 CYS HB3 5.500 . 6.000 5.415 5.342 5.473 . 0 0 "[ . 1 . 2 .]" 1
573 1 39 ALA H 1 41 VAL QG 8.800 . 9.300 4.257 4.040 4.774 . 0 0 "[ . 1 . 2 .]" 1
574 1 39 ALA H 1 42 GLY H 4.720 . 5.220 4.286 4.203 4.384 . 0 0 "[ . 1 . 2 .]" 1
575 1 39 ALA H 1 43 LEU H 4.940 . 5.440 4.690 4.610 4.774 . 0 0 "[ . 1 . 2 .]" 1
576 1 39 ALA H 1 43 LEU QB 6.170 . 6.670 4.950 4.880 5.028 . 0 0 "[ . 1 . 2 .]" 1
577 1 39 ALA HA 1 42 GLY H 3.640 . 4.140 2.310 2.186 2.461 . 0 0 "[ . 1 . 2 .]" 1
578 1 39 ALA HA 1 43 LEU H 3.110 . 3.610 3.193 3.162 3.230 . 0 0 "[ . 1 . 2 .]" 1
579 1 39 ALA MB 1 40 CYS H 4.970 . 5.470 3.367 3.275 3.465 . 0 0 "[ . 1 . 2 .]" 1
580 1 39 ALA MB 1 42 GLY H 7.130 . 7.630 3.854 3.736 3.967 . 0 0 "[ . 1 . 2 .]" 1
581 1 39 ALA MB 1 43 LEU H 7.430 . 7.930 4.614 4.528 4.658 . 0 0 "[ . 1 . 2 .]" 1
582 1 39 ALA MB 1 44 THR MG 10.900 . 11.400 6.183 3.565 7.583 . 0 0 "[ . 1 . 2 .]" 1
583 1 40 CYS H 1 40 CYS HB2 3.330 . 3.830 2.151 2.133 2.171 . 0 0 "[ . 1 . 2 .]" 1
584 1 40 CYS H 1 40 CYS HB3 3.330 . 3.830 3.477 3.457 3.490 . 0 0 "[ . 1 . 2 .]" 1
585 1 40 CYS H 1 41 VAL QG . . 7.750 3.580 3.310 4.026 . 0 0 "[ . 1 . 2 .]" 1
586 1 40 CYS H 1 43 LEU H 4.910 . 5.410 4.890 4.786 4.944 . 0 0 "[ . 1 . 2 .]" 1
587 1 40 CYS HA 1 40 CYS HB2 2.680 . 3.180 2.947 2.937 2.955 . 0 0 "[ . 1 . 2 .]" 1
588 1 40 CYS HA 1 40 CYS HB3 2.900 . 3.400 2.596 2.571 2.629 . 0 0 "[ . 1 . 2 .]" 1
589 1 40 CYS HA 1 42 GLY H 4.850 . 5.350 4.242 3.998 4.502 . 0 0 "[ . 1 . 2 .]" 1
590 1 40 CYS HB2 1 41 VAL HA 5.500 . 6.000 5.324 5.248 5.424 . 0 0 "[ . 1 . 2 .]" 1
591 1 40 CYS HB2 1 41 VAL QG 7.970 . 7.970 3.939 3.479 4.447 . 0 0 "[ . 1 . 2 .]" 1
592 1 40 CYS HB3 1 41 VAL H 4.040 . 4.540 4.029 3.967 4.064 . 0 0 "[ . 1 . 2 .]" 1
593 1 41 VAL H 1 41 VAL HB 3.330 . 3.830 3.158 3.053 3.268 . 0 0 "[ . 1 . 2 .]" 1
594 1 41 VAL H 1 42 GLY H 2.620 . 3.120 1.783 1.758 1.815 0.042 20 0 "[ . 1 . 2 .]" 1
595 1 41 VAL H 1 42 GLY QA 5.580 . 6.080 3.762 3.730 3.798 . 0 0 "[ . 1 . 2 .]" 1
596 1 41 VAL H 1 43 LEU H 3.450 . 3.950 3.394 3.252 3.483 . 0 0 "[ . 1 . 2 .]" 1
597 1 41 VAL H 1 43 LEU QD 8.720 . 9.220 4.733 4.511 4.954 . 0 0 "[ . 1 . 2 .]" 1
598 1 41 VAL H 1 43 LEU HG 5.500 . 6.000 5.061 4.351 5.387 . 0 0 "[ . 1 . 2 .]" 1
599 1 41 VAL HA 1 41 VAL HB 2.620 . 3.120 2.441 2.365 2.534 . 0 0 "[ . 1 . 2 .]" 1
600 1 41 VAL HA 1 42 GLY H 3.170 . 3.670 3.307 3.253 3.357 . 0 0 "[ . 1 . 2 .]" 1
601 1 41 VAL HA 1 51 TRP HZ2 4.480 . 4.980 4.581 4.558 4.629 . 0 0 "[ . 1 . 2 .]" 1
602 1 41 VAL HB 1 42 GLY H 4.350 . 4.850 4.343 4.221 4.401 . 0 0 "[ . 1 . 2 .]" 1
603 1 41 VAL HB 1 43 LEU QD 8.050 . 8.550 4.391 4.238 4.586 . 0 0 "[ . 1 . 2 .]" 1
604 1 41 VAL HB 1 43 LEU HG 5.500 . 6.000 4.651 4.456 4.804 . 0 0 "[ . 1 . 2 .]" 1
605 1 41 VAL HB 1 51 TRP HE1 4.510 . 5.010 4.389 4.165 4.537 . 0 0 "[ . 1 . 2 .]" 1
606 1 41 VAL HB 1 51 TRP HH2 5.440 . 5.940 3.690 3.511 3.934 . 0 0 "[ . 1 . 2 .]" 1
607 1 41 VAL HB 1 51 TRP HZ2 3.480 . 3.980 2.240 2.159 2.302 . 0 0 "[ . 1 . 2 .]" 1
608 1 41 VAL QG 1 42 GLY H 6.420 . 6.920 2.909 2.705 3.080 . 0 0 "[ . 1 . 2 .]" 1
609 1 41 VAL QG 1 43 LEU H 5.920 . 6.420 2.303 2.178 2.690 . 0 0 "[ . 1 . 2 .]" 1
610 1 41 VAL QG 1 43 LEU QD . . 10.510 2.192 2.039 2.506 . 0 0 "[ . 1 . 2 .]" 1
611 1 41 VAL QG 1 43 LEU HG 4.870 . 5.370 2.017 1.957 2.091 . 0 0 "[ . 1 . 2 .]" 1
612 1 41 VAL QG 1 51 TRP HD1 8.800 . 9.300 4.200 3.993 4.361 . 0 0 "[ . 1 . 2 .]" 1
613 1 41 VAL QG 1 51 TRP HE1 . . 7.370 2.301 2.128 2.474 . 0 0 "[ . 1 . 2 .]" 1
614 1 41 VAL QG 1 51 TRP HE3 8.800 . 9.300 5.284 5.214 5.376 . 0 0 "[ . 1 . 2 .]" 1
615 1 41 VAL QG 1 51 TRP HH2 5.580 . 6.080 3.561 3.339 3.734 . 0 0 "[ . 1 . 2 .]" 1
616 1 41 VAL QG 1 51 TRP HZ2 . . 5.620 1.944 1.904 1.997 . 0 0 "[ . 1 . 2 .]" 1
617 1 41 VAL QG 1 51 TRP HZ3 7.290 . 7.790 4.971 4.815 5.103 . 0 0 "[ . 1 . 2 .]" 1
618 1 41 VAL QG 1 54 PRO QD 8.050 . 8.550 2.947 2.505 3.428 . 0 0 "[ . 1 . 2 .]" 1
619 1 41 VAL QG 1 54 PRO QG . . 8.880 3.611 2.875 4.283 . 0 0 "[ . 1 . 2 .]" 1
620 1 42 GLY H 1 43 LEU H 2.900 . 3.400 2.691 2.570 2.798 . 0 0 "[ . 1 . 2 .]" 1
621 1 42 GLY H 1 43 LEU QB 6.170 . 6.670 4.480 4.287 4.747 . 0 0 "[ . 1 . 2 .]" 1
622 1 42 GLY H 1 43 LEU HG 5.500 . 6.000 5.123 4.395 5.529 . 0 0 "[ . 1 . 2 .]" 1
623 1 43 LEU H 1 43 LEU QB 3.740 . 3.820 2.159 2.046 2.377 . 0 0 "[ . 1 . 2 .]" 1
624 1 43 LEU H 1 43 LEU HG 4.010 . 4.510 3.204 2.652 3.564 . 0 0 "[ . 1 . 2 .]" 1
625 1 43 LEU QB 1 45 THR H 4.920 . 5.420 2.675 2.153 3.131 . 0 0 "[ . 1 . 2 .]" 1
626 1 43 LEU QD 1 44 THR H 8.800 . 9.300 3.643 2.552 4.019 . 0 0 "[ . 1 . 2 .]" 1
627 1 43 LEU QD 1 45 THR H 8.430 . 8.930 3.139 2.626 3.543 . 0 0 "[ . 1 . 2 .]" 1
628 1 43 LEU QD 1 46 LYS HA 6.920 . 7.420 3.552 3.063 3.854 . 0 0 "[ . 1 . 2 .]" 1
629 1 43 LEU QD 1 47 PRO QB 8.790 . 9.290 2.187 1.945 3.156 . 0 0 "[ . 1 . 2 .]" 1
630 1 43 LEU QD 1 47 PRO QD . . 6.850 2.089 1.929 2.250 . 0 0 "[ . 1 . 2 .]" 1
631 1 43 LEU QD 1 47 PRO QG . . 7.520 2.344 2.165 2.557 . 0 0 "[ . 1 . 2 .]" 1
632 1 43 LEU QD 1 51 TRP HD1 6.790 . 7.000 2.965 2.580 3.259 . 0 0 "[ . 1 . 2 .]" 1
633 1 43 LEU QD 1 51 TRP HE1 5.920 . 6.420 2.589 2.357 2.817 . 0 0 "[ . 1 . 2 .]" 1
634 1 43 LEU QD 1 51 TRP HE3 8.800 . 9.300 5.007 4.722 5.250 . 0 0 "[ . 1 . 2 .]" 1
635 1 43 LEU QD 1 51 TRP HH2 8.800 . 9.300 4.939 4.591 5.262 . 0 0 "[ . 1 . 2 .]" 1
636 1 43 LEU QD 1 51 TRP HZ2 6.670 . 7.170 3.697 3.421 4.110 . 0 0 "[ . 1 . 2 .]" 1
637 1 43 LEU HG 1 51 TRP HD1 5.500 . 6.000 4.837 4.039 5.393 . 0 0 "[ . 1 . 2 .]" 1
638 1 43 LEU HG 1 51 TRP HE1 4.510 . 5.010 3.239 2.515 3.828 . 0 0 "[ . 1 . 2 .]" 1
639 1 44 THR HB 1 45 THR H 5.410 . 5.910 3.788 2.977 4.562 . 0 0 "[ . 1 . 2 .]" 1
640 1 44 THR MG 1 45 THR H 7.840 . 8.340 3.856 2.661 4.416 . 0 0 "[ . 1 . 2 .]" 1
641 1 45 THR H 1 45 THR HB 3.860 . 4.360 3.583 3.314 3.879 . 0 0 "[ . 1 . 2 .]" 1
642 1 45 THR HA 1 46 LYS H 2.650 . 3.150 2.441 2.348 2.544 . 0 0 "[ . 1 . 2 .]" 1
643 1 45 THR HB 1 46 LYS H 3.450 . 3.950 3.144 2.341 3.638 . 0 0 "[ . 1 . 2 .]" 1
644 1 45 THR MG 1 46 LYS H 5.860 . 6.360 3.398 2.973 3.764 . 0 0 "[ . 1 . 2 .]" 1
645 1 46 LYS H 1 46 LYS QB 3.460 . 3.960 2.224 2.113 2.307 . 0 0 "[ . 1 . 2 .]" 1
646 1 46 LYS H 1 47 PRO QD 6.170 . 6.670 4.344 4.252 4.404 . 0 0 "[ . 1 . 2 .]" 1
647 1 46 LYS HA 1 47 PRO QD . . 3.190 2.070 2.055 2.087 . 0 0 "[ . 1 . 2 .]" 1
648 1 46 LYS HA 1 47 PRO QG 6.170 . 6.670 4.008 3.989 4.033 . 0 0 "[ . 1 . 2 .]" 1
649 1 46 LYS QB 1 46 LYS QZ 4.610 . 5.110 2.435 1.776 3.473 0.024 11 0 "[ . 1 . 2 .]" 1
650 1 46 LYS QG 1 47 PRO QD . . 5.010 2.443 2.210 2.953 . 0 0 "[ . 1 . 2 .]" 1
651 1 47 PRO QB 1 51 TRP HB2 6.170 . 6.670 2.840 2.276 3.788 . 0 0 "[ . 1 . 2 .]" 1
652 1 47 PRO QB 1 51 TRP HD1 5.130 . 5.630 2.570 2.290 3.266 . 0 0 "[ . 1 . 2 .]" 1
653 1 47 PRO QD 1 51 TRP HD1 6.170 . 6.670 4.727 4.326 5.180 . 0 0 "[ . 1 . 2 .]" 1
654 1 47 PRO QG 1 51 TRP HB2 4.530 . 5.030 2.658 2.287 3.191 . 0 0 "[ . 1 . 2 .]" 1
655 1 47 PRO QG 1 51 TRP HB3 4.960 . 5.460 3.513 3.037 3.869 . 0 0 "[ . 1 . 2 .]" 1
656 1 47 PRO QG 1 51 TRP HD1 4.400 . 4.870 3.079 2.394 3.676 . 0 0 "[ . 1 . 2 .]" 1
657 1 47 PRO QG 1 51 TRP HE1 6.170 . 6.670 4.246 3.651 5.049 . 0 0 "[ . 1 . 2 .]" 1
658 1 48 ARG H 1 48 ARG QB 3.460 . 3.960 2.517 2.032 2.969 . 0 0 "[ . 1 . 2 .]" 1
659 1 48 ARG HA 1 49 GLY H 2.930 . 3.430 2.493 2.291 2.707 . 0 0 "[ . 1 . 2 .]" 1
660 1 48 ARG QB 1 49 GLY H 4.120 . 4.590 2.646 2.207 3.370 . 0 0 "[ . 1 . 2 .]" 1
661 1 48 ARG QG 1 49 GLY H 6.170 . 6.670 3.041 1.734 4.404 0.066 5 0 "[ . 1 . 2 .]" 1
662 1 49 GLY QA 1 50 LYS H 3.740 . 4.240 2.509 2.086 2.991 . 0 0 "[ . 1 . 2 .]" 1
663 1 50 LYS H 1 50 LYS QD 5.340 . 5.840 4.388 3.148 4.810 . 0 0 "[ . 1 . 2 .]" 1
664 1 50 LYS H 1 51 TRP H 3.700 . 4.200 3.455 2.826 3.998 . 0 0 "[ . 1 . 2 .]" 1
665 1 50 LYS HA 1 51 TRP H 2.400 . 2.900 2.218 1.953 2.460 . 0 0 "[ . 1 . 2 .]" 1
666 1 50 LYS QB 1 51 TRP H 4.690 . 5.190 3.776 2.634 4.097 . 0 0 "[ . 1 . 2 .]" 1
667 1 50 LYS QB 1 52 PHE QD 10.710 . 11.210 4.971 4.002 5.787 . 0 0 "[ . 1 . 2 .]" 1
668 1 50 LYS QD 1 51 TRP H 7.160 . 7.660 4.295 2.804 5.688 . 0 0 "[ . 1 . 2 .]" 1
669 1 50 LYS QG 1 51 TRP H 4.830 . 5.330 3.893 3.147 4.543 . 0 0 "[ . 1 . 2 .]" 1
670 1 50 LYS QG 1 52 PHE QD 10.710 . 11.210 4.679 3.734 6.316 . 0 0 "[ . 1 . 2 .]" 1
671 1 50 LYS QZ 1 52 PHE QD 10.150 . 10.650 4.294 3.293 5.935 . 0 0 "[ . 1 . 2 .]" 1
672 1 51 TRP H 1 51 TRP HB2 2.990 . 3.490 2.909 2.684 3.109 . 0 0 "[ . 1 . 2 .]" 1
673 1 51 TRP H 1 51 TRP HB3 2.930 . 3.430 2.460 2.324 2.610 . 0 0 "[ . 1 . 2 .]" 1
674 1 51 TRP H 1 51 TRP HD1 5.500 . 6.000 5.295 5.125 5.438 . 0 0 "[ . 1 . 2 .]" 1
675 1 51 TRP H 1 51 TRP HE3 4.940 . 5.440 4.388 4.178 4.605 . 0 0 "[ . 1 . 2 .]" 1
676 1 51 TRP H 1 52 PHE H 4.910 . 5.410 4.538 4.436 4.617 . 0 0 "[ . 1 . 2 .]" 1
677 1 51 TRP HA 1 51 TRP HB3 2.860 . 3.360 3.001 2.996 3.005 . 0 0 "[ . 1 . 2 .]" 1
678 1 51 TRP HA 1 51 TRP HD1 3.550 . 4.050 3.131 2.978 3.306 . 0 0 "[ . 1 . 2 .]" 1
679 1 51 TRP HA 1 52 PHE H 2.430 . 2.930 2.366 2.307 2.414 . 0 0 "[ . 1 . 2 .]" 1
680 1 51 TRP HA 1 52 PHE QD 8.420 . 8.920 3.502 3.124 3.898 . 0 0 "[ . 1 . 2 .]" 1
681 1 51 TRP HB2 1 51 TRP HD1 3.390 . 3.890 2.729 2.681 2.800 . 0 0 "[ . 1 . 2 .]" 1
682 1 51 TRP HB2 1 52 PHE H 4.010 . 4.510 3.912 3.845 3.984 . 0 0 "[ . 1 . 2 .]" 1
683 1 51 TRP HB3 1 51 TRP HE3 2.960 . 3.460 2.568 2.522 2.628 . 0 0 "[ . 1 . 2 .]" 1
684 1 51 TRP HB3 1 51 TRP HZ3 5.500 . 6.000 5.030 4.977 5.071 . 0 0 "[ . 1 . 2 .]" 1
685 1 51 TRP HB3 1 52 PHE H 4.170 . 4.670 3.762 3.666 3.903 . 0 0 "[ . 1 . 2 .]" 1
686 1 51 TRP HD1 1 52 PHE H 5.500 . 6.000 3.494 3.290 3.633 . 0 0 "[ . 1 . 2 .]" 1
687 1 51 TRP HE1 1 53 CYS HA 5.500 . 6.000 5.140 4.892 5.411 . 0 0 "[ . 1 . 2 .]" 1
688 1 51 TRP HE3 1 52 PHE H 5.500 . 6.000 3.906 3.726 4.134 . 0 0 "[ . 1 . 2 .]" 1
689 1 51 TRP HE3 1 52 PHE HA 5.500 . 6.000 3.649 3.389 3.880 . 0 0 "[ . 1 . 2 .]" 1
690 1 51 TRP HH2 1 53 CYS H 4.910 . 5.410 4.383 4.157 4.510 . 0 0 "[ . 1 . 2 .]" 1
691 1 51 TRP HH2 1 53 CYS HA 3.360 . 3.860 2.413 2.303 2.515 . 0 0 "[ . 1 . 2 .]" 1
692 1 51 TRP HH2 1 53 CYS HB2 4.170 . 4.670 3.179 2.857 3.447 . 0 0 "[ . 1 . 2 .]" 1
693 1 51 TRP HH2 1 53 CYS HB3 4.690 . 5.190 3.023 2.741 3.333 . 0 0 "[ . 1 . 2 .]" 1
694 1 51 TRP HH2 1 54 PRO QD 4.880 . 5.380 3.113 2.982 3.310 . 0 0 "[ . 1 . 2 .]" 1
695 1 51 TRP HZ2 1 53 CYS H 5.500 . 6.000 5.428 5.215 5.534 . 0 0 "[ . 1 . 2 .]" 1
696 1 51 TRP HZ2 1 53 CYS HA 3.390 . 3.890 3.051 2.871 3.260 . 0 0 "[ . 1 . 2 .]" 1
697 1 51 TRP HZ2 1 53 CYS HB3 5.500 . 6.000 4.949 4.663 5.158 . 0 0 "[ . 1 . 2 .]" 1
698 1 51 TRP HZ2 1 54 PRO QD 6.170 . 6.670 3.132 2.857 3.450 . 0 0 "[ . 1 . 2 .]" 1
699 1 51 TRP HZ3 1 53 CYS H 4.040 . 4.540 3.610 3.262 3.819 . 0 0 "[ . 1 . 2 .]" 1
700 1 51 TRP HZ3 1 53 CYS HA 4.380 . 4.880 3.516 3.318 3.767 . 0 0 "[ . 1 . 2 .]" 1
701 1 51 TRP HZ3 1 53 CYS HB2 4.110 . 4.610 4.034 3.769 4.125 . 0 0 "[ . 1 . 2 .]" 1
702 1 51 TRP HZ3 1 53 CYS HB3 5.500 . 6.000 2.724 2.483 3.017 . 0 0 "[ . 1 . 2 .]" 1
703 1 52 PHE H 1 52 PHE QB . . 3.890 2.702 2.604 2.771 . 0 0 "[ . 1 . 2 .]" 1
704 1 52 PHE H 1 53 CYS H 4.350 . 4.850 4.355 4.320 4.387 . 0 0 "[ . 1 . 2 .]" 1
705 1 52 PHE HA 1 53 CYS H 3.450 . 3.950 2.258 2.212 2.301 . 0 0 "[ . 1 . 2 .]" 1
706 1 52 PHE QB 1 53 CYS H 3.520 . 4.020 2.997 2.894 3.136 . 0 0 "[ . 1 . 2 .]" 1
707 1 52 PHE QB 1 56 CYS H 4.470 . 4.970 4.010 3.978 4.047 . 0 0 "[ . 1 . 2 .]" 1
708 1 52 PHE QB 1 56 CYS HB2 4.850 . 5.350 2.627 2.477 4.035 . 0 0 "[ . 1 . 2 .]" 1
709 1 52 PHE QB 1 56 CYS HB3 3.840 . 4.340 2.364 2.227 2.616 . 0 0 "[ . 1 . 2 .]" 1
710 1 52 PHE QB 1 57 SER H 5.540 . 5.560 3.001 2.837 3.190 . 0 0 "[ . 1 . 2 .]" 1
711 1 52 PHE QB 1 57 SER HA 4.370 . 4.870 3.073 2.495 3.372 . 0 0 "[ . 1 . 2 .]" 1
712 1 52 PHE QB 1 57 SER QB 6.540 . 7.040 2.316 1.980 3.641 . 0 0 "[ . 1 . 2 .]" 1
713 1 52 PHE QD 1 53 CYS H 8.550 . 9.050 4.083 3.805 4.400 . 0 0 "[ . 1 . 2 .]" 1
714 1 52 PHE QD 1 56 CYS HB2 8.550 . 9.050 3.596 3.291 4.536 . 0 0 "[ . 1 . 2 .]" 1
715 1 52 PHE QD 1 56 CYS HB3 8.450 . 8.950 2.386 2.138 3.237 . 0 0 "[ . 1 . 2 .]" 1
716 1 52 PHE QD 1 57 SER HA 8.550 . 9.050 4.322 3.838 4.662 . 0 0 "[ . 1 . 2 .]" 1
717 1 53 CYS H 1 53 CYS HB2 3.480 . 3.980 3.499 3.451 3.516 . 0 0 "[ . 1 . 2 .]" 1
718 1 53 CYS H 1 53 CYS HB3 3.020 . 3.520 2.356 2.230 2.488 . 0 0 "[ . 1 . 2 .]" 1
719 1 53 CYS H 1 54 PRO QD 6.170 . 6.670 4.451 4.430 4.469 . 0 0 "[ . 1 . 2 .]" 1
720 1 53 CYS H 1 55 ARG H 5.500 . 6.000 4.323 4.250 4.450 . 0 0 "[ . 1 . 2 .]" 1
721 1 53 CYS H 1 56 CYS H 5.500 . 6.000 3.841 3.710 4.559 . 0 0 "[ . 1 . 2 .]" 1
722 1 53 CYS H 1 56 CYS HB2 3.520 . 4.020 2.535 2.389 3.532 . 0 0 "[ . 1 . 2 .]" 1
723 1 53 CYS H 1 56 CYS HB3 3.610 . 4.110 3.586 2.523 3.699 . 0 0 "[ . 1 . 2 .]" 1
724 1 53 CYS H 1 57 SER H 4.760 . 5.260 4.341 4.155 4.558 . 0 0 "[ . 1 . 2 .]" 1
725 1 53 CYS HA 1 53 CYS HB2 2.800 . 3.300 2.379 2.297 2.460 . 0 0 "[ . 1 . 2 .]" 1
726 1 53 CYS HA 1 53 CYS HB3 2.710 . 3.210 2.475 2.407 2.543 . 0 0 "[ . 1 . 2 .]" 1
727 1 53 CYS HA 1 54 PRO QB 5.540 . 6.040 4.581 4.504 4.644 . 0 0 "[ . 1 . 2 .]" 1
728 1 53 CYS HA 1 54 PRO QG 5.100 . 5.600 4.209 4.161 4.285 . 0 0 "[ . 1 . 2 .]" 1
729 1 53 CYS HA 1 55 ARG H 4.140 . 4.640 4.191 4.145 4.216 . 0 0 "[ . 1 . 2 .]" 1
730 1 53 CYS HB2 1 54 PRO QD 6.140 . 6.640 2.003 1.983 2.038 . 0 0 "[ . 1 . 2 .]" 1
731 1 53 CYS HB3 1 54 PRO QD 4.820 . 5.320 3.427 3.327 3.490 . 0 0 "[ . 1 . 2 .]" 1
732 1 53 CYS HB3 1 55 ARG H 4.600 . 5.100 4.636 4.469 4.666 . 0 0 "[ . 1 . 2 .]" 1
733 1 54 PRO HA 1 56 CYS H 5.130 . 5.630 4.412 3.753 4.554 . 0 0 "[ . 1 . 2 .]" 1
734 1 54 PRO HA 1 57 SER H 4.790 . 5.290 3.566 3.391 3.807 . 0 0 "[ . 1 . 2 .]" 1
735 1 54 PRO QB 1 55 ARG H 4.820 . 5.320 4.084 3.938 4.110 . 0 0 "[ . 1 . 2 .]" 1
736 1 54 PRO QD 1 55 ARG H . . 5.250 3.654 3.294 3.737 . 0 0 "[ . 1 . 2 .]" 1
737 1 54 PRO QG 1 55 ARG H 6.170 . 6.670 4.046 3.592 4.142 . 0 0 "[ . 1 . 2 .]" 1
738 1 55 ARG H 1 55 ARG HA 2.860 . 3.360 2.937 2.911 2.950 . 0 0 "[ . 1 . 2 .]" 1
739 1 55 ARG H 1 55 ARG QG 4.430 . 4.930 3.202 2.959 3.354 . 0 0 "[ . 1 . 2 .]" 1
740 1 55 ARG H 1 56 CYS H 2.960 . 3.460 1.783 1.688 2.256 0.112 19 0 "[ . 1 . 2 .]" 1
741 1 55 ARG H 1 56 CYS HA 4.940 . 5.440 4.438 4.399 4.654 . 0 0 "[ . 1 . 2 .]" 1
742 1 55 ARG H 1 56 CYS HB3 4.600 . 5.100 4.732 3.881 4.812 . 0 0 "[ . 1 . 2 .]" 1
743 1 55 ARG H 1 57 SER H 3.640 . 4.140 2.696 2.555 3.425 . 0 0 "[ . 1 . 2 .]" 1
744 1 55 ARG H 1 58 GLN H 5.500 . 6.000 3.765 3.386 4.656 . 0 0 "[ . 1 . 2 .]" 1
745 1 55 ARG HA 1 56 CYS H 3.610 . 4.110 3.537 2.899 3.591 . 0 0 "[ . 1 . 2 .]" 1
746 1 55 ARG HA 1 57 SER H 4.290 . 4.790 4.295 4.170 4.438 . 0 0 "[ . 1 . 2 .]" 1
747 1 55 ARG HA 1 58 GLN H 4.510 . 5.010 3.436 3.141 4.001 . 0 0 "[ . 1 . 2 .]" 1
748 1 55 ARG QB 1 56 CYS H 4.860 . 5.360 2.773 2.586 3.798 . 0 0 "[ . 1 . 2 .]" 1
749 1 55 ARG QB 1 57 SER H 7.160 . 7.660 4.673 4.565 5.250 . 0 0 "[ . 1 . 2 .]" 1
750 1 55 ARG QB 1 58 GLN H 6.570 . 7.070 4.859 4.587 5.622 . 0 0 "[ . 1 . 2 .]" 1
751 1 55 ARG QD 1 56 CYS H 7.160 . 7.660 4.995 4.701 6.038 . 0 0 "[ . 1 . 2 .]" 1
752 1 55 ARG QG 1 56 CYS H 5.440 . 5.940 4.161 3.972 4.500 . 0 0 "[ . 1 . 2 .]" 1
753 1 56 CYS H 1 56 CYS HA 2.860 . 3.360 2.864 2.840 2.936 . 0 0 "[ . 1 . 2 .]" 1
754 1 56 CYS H 1 56 CYS HB2 3.420 . 3.920 2.004 1.916 2.974 . 0 0 "[ . 1 . 2 .]" 1
755 1 56 CYS H 1 56 CYS HB3 3.080 . 3.580 3.257 2.942 3.334 . 0 0 "[ . 1 . 2 .]" 1
756 1 56 CYS H 1 57 SER H 2.710 . 3.210 2.396 1.686 2.520 0.114 17 0 "[ . 1 . 2 .]" 1
757 1 56 CYS H 1 57 SER QB 6.170 . 6.670 4.196 4.043 4.544 . 0 0 "[ . 1 . 2 .]" 1
758 1 56 CYS H 1 58 GLN H 3.920 . 4.420 3.803 2.735 3.978 . 0 0 "[ . 1 . 2 .]" 1
759 1 56 CYS HA 1 56 CYS HB2 2.960 . 3.460 3.007 2.599 3.034 . 0 0 "[ . 1 . 2 .]" 1
760 1 56 CYS HA 1 59 GLU H 4.380 . 4.880 3.971 3.204 4.446 . 0 0 "[ . 1 . 2 .]" 1
761 1 56 CYS HB2 1 57 SER H 3.580 . 4.080 2.811 2.651 3.681 . 0 0 "[ . 1 . 2 .]" 1
762 1 56 CYS HB3 1 57 SER H 3.520 . 4.020 3.410 2.737 3.559 . 0 0 "[ . 1 . 2 .]" 1
763 1 57 SER H 1 57 SER QB 3.520 . 4.020 2.259 2.183 2.609 . 0 0 "[ . 1 . 2 .]" 1
764 1 57 SER H 1 58 GLN H 3.080 . 3.580 2.486 2.252 2.644 . 0 0 "[ . 1 . 2 .]" 1
765 1 57 SER H 1 59 GLU H 4.910 . 5.410 4.330 3.869 4.790 . 0 0 "[ . 1 . 2 .]" 1
766 1 57 SER HA 1 58 GLN H 3.640 . 4.140 3.519 3.411 3.583 . 0 0 "[ . 1 . 2 .]" 1
767 1 57 SER QB 1 58 GLN H 4.400 . 4.590 3.005 2.641 3.565 . 0 0 "[ . 1 . 2 .]" 1
768 1 58 GLN H 1 58 GLN HA 2.800 . 3.300 2.834 2.779 2.875 . 0 0 "[ . 1 . 2 .]" 1
769 1 58 GLN H 1 58 GLN QB 3.390 . 3.890 2.224 2.058 2.476 . 0 0 "[ . 1 . 2 .]" 1
770 1 58 GLN H 1 58 GLN QG 4.820 . 5.320 3.309 2.119 4.042 . 0 0 "[ . 1 . 2 .]" 1
771 1 58 GLN H 1 59 GLU H 4.380 . 4.880 2.709 2.571 2.906 . 0 0 "[ . 1 . 2 .]" 1
772 1 58 GLN QB 1 59 GLU H 4.370 . 4.870 2.837 2.591 3.228 . 0 0 "[ . 1 . 2 .]" 1
773 1 58 GLN QG 1 59 GLU H 6.170 . 6.670 4.321 3.840 4.771 . 0 0 "[ . 1 . 2 .]" 1
774 1 59 GLU H 1 59 GLU HA 2.620 . 3.120 2.742 2.679 2.821 . 0 0 "[ . 1 . 2 .]" 1
775 1 59 GLU H 1 59 GLU QB 3.490 . 3.860 1.980 1.940 2.055 . 0 0 "[ . 1 . 2 .]" 1
776 1 59 GLU H 1 59 GLU QG . . 4.480 3.552 2.869 3.739 . 0 0 "[ . 1 . 2 .]" 1
777 1 59 GLU QB 1 60 ARG H 3.910 . 4.410 2.834 2.058 3.359 . 0 0 "[ . 1 . 2 .]" 1
778 1 59 GLU QB 1 60 ARG QG 8.040 . 8.540 4.837 2.344 6.120 . 0 0 "[ . 1 . 2 .]" 1
779 1 60 ARG H 1 60 ARG QB 3.290 . 3.790 2.667 2.428 2.929 . 0 0 "[ . 1 . 2 .]" 1
780 1 60 ARG H 1 61 LYS H 3.670 . 4.170 2.936 1.813 3.750 . 0 0 "[ . 1 . 2 .]" 1
781 1 60 ARG H 1 61 LYS HA 5.500 . 6.000 4.870 3.950 5.584 . 0 0 "[ . 1 . 2 .]" 1
782 1 60 ARG HA 1 61 LYS H 3.140 . 3.640 2.690 2.065 3.089 . 0 0 "[ . 1 . 2 .]" 1
783 1 60 ARG QB 1 61 LYS H 6.170 . 6.670 3.926 3.685 4.117 . 0 0 "[ . 1 . 2 .]" 1
784 1 61 LYS H 1 61 LYS QB 3.320 . 3.820 2.460 2.097 2.837 . 0 0 "[ . 1 . 2 .]" 1
785 1 61 LYS H 1 61 LYS QG 4.500 . 5.000 3.128 2.098 4.035 . 0 0 "[ . 1 . 2 .]" 1
786 1 61 LYS H 1 62 LYS H 3.980 . 4.480 3.628 2.578 4.282 . 0 0 "[ . 1 . 2 .]" 1
787 1 61 LYS HA 1 62 LYS H 3.020 . 3.520 2.471 2.088 3.046 . 0 0 "[ . 1 . 2 .]" 1
788 1 62 LYS H 1 63 LYS H 3.790 . 4.290 3.141 2.348 3.930 . 0 0 "[ . 1 . 2 .]" 1
789 1 62 LYS HA 1 63 LYS H 2.770 . 3.270 2.495 2.037 2.860 . 0 0 "[ . 1 . 2 .]" 1
790 1 62 LYS QB 1 63 LYS H 5.410 . 5.910 3.877 3.180 4.068 . 0 0 "[ . 1 . 2 .]" 1
791 1 63 LYS H 1 63 LYS QB 3.520 . 4.020 2.700 2.090 3.212 . 0 0 "[ . 1 . 2 .]" 1
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