NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506239 |
1x4i   |
11353 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4i
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 27
_Distance_constraint_stats_list.Viol_count 203
_Distance_constraint_stats_list.Viol_total 9.852
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0018
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0024
_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 9 CYS 0.142 0.008 7 0 "[ . 1 . 2]"
1 11 CYS 0.065 0.005 18 0 "[ . 1 . 2]"
1 22 CYS 0.019 0.003 11 0 "[ . 1 . 2]"
1 27 CYS 0.109 0.008 20 0 "[ . 1 . 2]"
1 33 HIS 0.034 0.003 11 0 "[ . 1 . 2]"
1 36 CYS 0.057 0.004 11 0 "[ . 1 . 2]"
1 49 CYS 0.235 0.012 17 0 "[ . 1 . 2]"
1 52 CYS 0.170 0.012 17 0 "[ . 1 . 2]"
2 1 ZN 0.144 0.008 7 0 "[ . 1 . 2]"
3 1 ZN 0.011 0.002 13 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 9 CYS SG 2 1 ZN ZN . 2.250 2.350 2.352 2.350 2.357 0.007 18 0 "[ . 1 . 2]" 1
2 1 11 CYS SG 2 1 ZN ZN . 2.250 2.350 2.331 2.310 2.351 0.001 9 0 "[ . 1 . 2]" 1
3 1 36 CYS SG 2 1 ZN ZN . 2.250 2.350 2.249 2.247 2.252 0.003 19 0 "[ . 1 . 2]" 1
4 1 33 HIS ND1 2 1 ZN ZN . . 2.050 2.043 2.022 2.052 0.002 15 0 "[ . 1 . 2]" 1
5 1 9 CYS CB 2 1 ZN ZN . 3.220 3.520 3.217 3.212 3.222 0.008 7 0 "[ . 1 . 2]" 1
6 1 11 CYS CB 2 1 ZN ZN . 3.220 3.520 3.512 3.483 3.523 0.003 11 0 "[ . 1 . 2]" 1
7 1 36 CYS CB 2 1 ZN ZN . 3.220 3.520 3.340 3.301 3.405 . 0 0 "[ . 1 . 2]" 1
8 1 9 CYS SG 1 11 CYS SG . 3.650 3.850 3.650 3.645 3.660 0.005 18 0 "[ . 1 . 2]" 1
9 1 9 CYS SG 1 33 HIS ND1 . 3.500 3.700 3.501 3.497 3.513 0.003 11 0 "[ . 1 . 2]" 1
10 1 9 CYS SG 1 36 CYS SG . 3.650 3.850 3.720 3.650 3.780 0.000 14 0 "[ . 1 . 2]" 1
11 1 11 CYS SG 1 33 HIS ND1 . 3.500 3.700 3.514 3.499 3.561 0.001 5 0 "[ . 1 . 2]" 1
12 1 11 CYS SG 1 36 CYS SG . 3.650 3.850 3.851 3.850 3.854 0.004 11 0 "[ . 1 . 2]" 1
13 1 33 HIS ND1 1 36 CYS SG . 3.500 3.700 3.688 3.644 3.702 0.002 7 0 "[ . 1 . 2]" 1
14 1 22 CYS SG 3 1 ZN ZN . 2.250 2.350 2.298 2.251 2.350 0.000 5 0 "[ . 1 . 2]" 1
15 1 27 CYS SG 3 1 ZN ZN . 2.250 2.350 2.329 2.280 2.352 0.002 13 0 "[ . 1 . 2]" 1
16 1 49 CYS SG 3 1 ZN ZN . 2.250 2.350 2.259 2.248 2.291 0.002 13 0 "[ . 1 . 2]" 1
17 1 52 CYS SG 3 1 ZN ZN . 2.250 2.350 2.300 2.251 2.344 . 0 0 "[ . 1 . 2]" 1
18 1 22 CYS CB 3 1 ZN ZN . 3.220 3.520 3.365 3.252 3.448 . 0 0 "[ . 1 . 2]" 1
19 1 27 CYS CB 3 1 ZN ZN . 3.220 3.520 3.243 3.219 3.376 0.001 13 0 "[ . 1 . 2]" 1
20 1 49 CYS CB 3 1 ZN ZN . 3.220 3.520 3.504 3.464 3.521 0.001 8 0 "[ . 1 . 2]" 1
21 1 52 CYS CB 3 1 ZN ZN . 3.220 3.520 3.354 3.262 3.408 . 0 0 "[ . 1 . 2]" 1
22 1 22 CYS SG 1 27 CYS SG . 3.650 3.850 3.769 3.685 3.850 . 0 0 "[ . 1 . 2]" 1
23 1 22 CYS SG 1 49 CYS SG . 3.650 3.850 3.733 3.647 3.850 0.003 11 0 "[ . 1 . 2]" 1
24 1 22 CYS SG 1 52 CYS SG . 3.650 3.850 3.847 3.822 3.852 0.002 16 0 "[ . 1 . 2]" 1
25 1 27 CYS SG 1 49 CYS SG . 3.650 3.850 3.646 3.642 3.649 0.008 20 0 "[ . 1 . 2]" 1
26 1 27 CYS SG 1 52 CYS SG . 3.650 3.850 3.848 3.809 3.853 0.003 2 0 "[ . 1 . 2]" 1
27 1 49 CYS SG 1 52 CYS SG . 3.650 3.850 3.643 3.638 3.647 0.012 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1206
_Distance_constraint_stats_list.Viol_count 661
_Distance_constraint_stats_list.Viol_total 244.324
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0047
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0185
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 SER 0.246 0.067 6 0 "[ . 1 . 2]"
1 7 GLY 0.264 0.067 6 0 "[ . 1 . 2]"
1 8 TYR 0.161 0.013 6 0 "[ . 1 . 2]"
1 9 CYS 0.163 0.015 6 0 "[ . 1 . 2]"
1 10 ILE 0.211 0.061 13 0 "[ . 1 . 2]"
1 11 CYS 0.195 0.018 8 0 "[ . 1 . 2]"
1 12 ASN 0.106 0.015 6 0 "[ . 1 . 2]"
1 13 GLN 0.674 0.040 7 0 "[ . 1 . 2]"
1 14 VAL 0.518 0.040 7 0 "[ . 1 . 2]"
1 15 SER 0.148 0.013 8 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.010 0.010 19 0 "[ . 1 . 2]"
1 18 GLU 0.065 0.016 16 0 "[ . 1 . 2]"
1 19 MET 0.201 0.013 8 0 "[ . 1 . 2]"
1 20 VAL 0.019 0.005 8 0 "[ . 1 . 2]"
1 21 GLY 0.136 0.019 7 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.106 0.013 7 0 "[ . 1 . 2]"
1 24 ASN 0.293 0.057 18 0 "[ . 1 . 2]"
1 25 GLN 0.089 0.057 18 0 "[ . 1 . 2]"
1 26 ASP 0.094 0.028 7 0 "[ . 1 . 2]"
1 27 CYS 0.700 0.058 18 0 "[ . 1 . 2]"
1 28 PRO 0.936 0.058 18 0 "[ . 1 . 2]"
1 29 ILE 0.471 0.044 18 0 "[ . 1 . 2]"
1 30 GLU 0.527 0.039 8 0 "[ . 1 . 2]"
1 31 TRP 0.767 0.039 8 0 "[ . 1 . 2]"
1 32 PHE 0.540 0.061 13 0 "[ . 1 . 2]"
1 33 HIS 0.196 0.032 10 0 "[ . 1 . 2]"
1 34 TYR 0.064 0.020 11 0 "[ . 1 . 2]"
1 35 GLY 0.030 0.008 16 0 "[ . 1 . 2]"
1 36 CYS 0.125 0.015 8 0 "[ . 1 . 2]"
1 37 VAL 0.202 0.019 16 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.072 0.008 16 0 "[ . 1 . 2]"
1 40 THR 0.006 0.002 3 0 "[ . 1 . 2]"
1 41 GLU 0.020 0.006 20 0 "[ . 1 . 2]"
1 42 ALA 0.004 0.003 1 0 "[ . 1 . 2]"
1 43 PRO 0.016 0.004 9 0 "[ . 1 . 2]"
1 44 LYS 0.137 0.067 10 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.322 0.117 14 0 "[ . 1 . 2]"
1 47 TRP 0.219 0.024 19 0 "[ . 1 . 2]"
1 48 TYR 0.701 0.061 20 0 "[ . 1 . 2]"
1 49 CYS 2.081 0.076 7 0 "[ . 1 . 2]"
1 50 PRO 1.334 0.076 7 0 "[ . 1 . 2]"
1 51 GLN 2.580 0.094 17 0 "[ . 1 . 2]"
1 52 CYS 3.383 0.094 17 0 "[ . 1 . 2]"
1 53 THR 0.492 0.091 20 0 "[ . 1 . 2]"
1 54 ALA 1.496 0.091 20 0 "[ . 1 . 2]"
1 55 ALA 0.004 0.003 10 0 "[ . 1 . 2]"
1 56 MET 0.756 0.064 17 0 "[ . 1 . 2]"
1 57 LYS 0.409 0.029 17 0 "[ . 1 . 2]"
1 58 ARG 0.012 0.005 13 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.675 0.163 18 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PRO 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 25 GLN H 1 25 GLN QB . . 3.770 2.365 2.136 2.572 . 0 0 "[ . 1 . 2]" 2
2 1 25 GLN H 1 26 ASP H . . 4.280 2.682 2.553 2.749 . 0 0 "[ . 1 . 2]" 2
3 1 24 ASN HA 1 25 GLN H . . 3.540 2.174 2.140 2.188 . 0 0 "[ . 1 . 2]" 2
4 1 39 LEU HG 1 47 TRP HE1 . . 5.030 3.264 2.936 3.483 . 0 0 "[ . 1 . 2]" 2
5 1 39 LEU MD1 1 47 TRP HE1 . . 3.690 2.726 2.515 3.045 . 0 0 "[ . 1 . 2]" 2
6 1 37 VAL MG2 1 47 TRP HE1 . . 4.650 3.175 2.962 3.464 . 0 0 "[ . 1 . 2]" 2
7 1 22 CYS HA 1 23 ASP H . . 3.290 2.151 2.138 2.188 . 0 0 "[ . 1 . 2]" 2
8 1 46 LYS HA 1 47 TRP H . . 2.670 2.173 2.150 2.211 . 0 0 "[ . 1 . 2]" 2
9 1 47 TRP H 1 47 TRP HB3 . . 3.390 2.580 2.507 2.648 . 0 0 "[ . 1 . 2]" 2
10 1 47 TRP H 1 47 TRP HB2 . . 3.790 3.061 2.917 3.118 . 0 0 "[ . 1 . 2]" 2
11 1 46 LYS HB3 1 47 TRP H . . 3.310 3.177 2.992 3.330 0.020 17 0 "[ . 1 . 2]" 2
12 1 52 CYS H 1 52 CYS HB2 . . 2.910 2.304 2.284 2.325 . 0 0 "[ . 1 . 2]" 2
13 1 51 GLN HB2 1 52 CYS H . . 3.390 3.053 3.018 3.091 . 0 0 "[ . 1 . 2]" 2
14 1 52 CYS H 1 54 ALA MB . . 5.150 4.471 4.434 4.533 . 0 0 "[ . 1 . 2]" 2
15 1 22 CYS H 1 32 PHE QD . . 4.270 3.337 3.059 3.584 . 0 0 "[ . 1 . 2]" 2
16 1 22 CYS H 1 32 PHE QE . . 3.910 3.415 3.068 3.615 . 0 0 "[ . 1 . 2]" 2
17 1 22 CYS H 1 47 TRP HZ3 . . 4.280 3.464 3.231 3.705 . 0 0 "[ . 1 . 2]" 2
18 1 22 CYS H 1 31 TRP HA . . 4.360 3.544 3.250 3.728 . 0 0 "[ . 1 . 2]" 2
19 1 21 GLY HA2 1 22 CYS H . . 2.970 2.145 2.137 2.169 . 0 0 "[ . 1 . 2]" 2
20 1 22 CYS H 1 30 GLU HA . . 4.240 2.317 2.019 2.659 . 0 0 "[ . 1 . 2]" 2
21 1 22 CYS H 1 22 CYS QB . . 2.920 2.247 2.235 2.254 . 0 0 "[ . 1 . 2]" 2
22 1 21 GLY HA3 1 22 CYS H . . 3.320 3.206 3.104 3.273 . 0 0 "[ . 1 . 2]" 2
23 1 22 CYS QB 1 27 CYS H . . 4.550 4.374 4.241 4.533 . 0 0 "[ . 1 . 2]" 2
24 1 24 ASN HD22 1 27 CYS H . . 4.710 4.089 3.852 4.424 . 0 0 "[ . 1 . 2]" 2
25 1 25 GLN H 1 27 CYS H . . 5.170 4.193 4.136 4.226 . 0 0 "[ . 1 . 2]" 2
26 1 24 ASN HD21 1 27 CYS H . . 4.500 3.548 3.190 4.153 . 0 0 "[ . 1 . 2]" 2
27 1 27 CYS H 1 27 CYS HB2 . . 2.940 2.241 2.222 2.272 . 0 0 "[ . 1 . 2]" 2
28 1 27 CYS H 1 27 CYS HB3 . . 2.880 2.869 2.819 2.901 0.021 18 0 "[ . 1 . 2]" 2
29 1 26 ASP HB3 1 27 CYS H . . 4.460 3.688 3.023 4.310 . 0 0 "[ . 1 . 2]" 2
30 1 23 ASP H 1 49 CYS H . . 4.680 4.061 3.693 4.322 . 0 0 "[ . 1 . 2]" 2
31 1 49 CYS H 1 52 CYS H . . 5.190 4.638 4.607 4.674 . 0 0 "[ . 1 . 2]" 2
32 1 48 TYR QD 1 49 CYS H . . 4.740 4.118 3.925 4.338 . 0 0 "[ . 1 . 2]" 2
33 1 48 TYR HA 1 49 CYS H . . 3.020 2.139 2.137 2.146 . 0 0 "[ . 1 . 2]" 2
34 1 22 CYS HA 1 49 CYS H . . 4.560 3.241 3.101 3.359 . 0 0 "[ . 1 . 2]" 2
35 1 22 CYS QB 1 49 CYS H . . 3.910 3.331 3.216 3.477 . 0 0 "[ . 1 . 2]" 2
36 1 49 CYS H 1 52 CYS HB2 . . 3.880 3.920 3.901 3.947 0.067 8 0 "[ . 1 . 2]" 2
37 1 48 TYR HB3 1 49 CYS H . . 3.540 3.453 3.335 3.540 0.000 20 0 "[ . 1 . 2]" 2
38 1 49 CYS H 1 49 CYS HB2 . . 3.730 3.544 3.538 3.552 . 0 0 "[ . 1 . 2]" 2
39 1 49 CYS H 1 49 CYS HB3 . . 3.330 2.270 2.254 2.282 . 0 0 "[ . 1 . 2]" 2
40 1 20 VAL H 1 34 TYR H . . 5.090 4.797 4.645 5.010 . 0 0 "[ . 1 . 2]" 2
41 1 34 TYR H 1 34 TYR QD . . 3.270 2.279 2.048 2.610 . 0 0 "[ . 1 . 2]" 2
42 1 33 HIS HA 1 34 TYR H . . 3.010 2.290 2.243 2.347 . 0 0 "[ . 1 . 2]" 2
43 1 33 HIS HB2 1 34 TYR H . . 3.860 3.802 3.710 3.880 0.020 11 0 "[ . 1 . 2]" 2
44 1 34 TYR H 1 34 TYR HB3 . . 3.570 3.534 3.491 3.551 . 0 0 "[ . 1 . 2]" 2
45 1 34 TYR H 1 34 TYR HB2 . . 3.360 2.254 2.186 2.289 . 0 0 "[ . 1 . 2]" 2
46 1 18 GLU HB2 1 34 TYR H . . 4.850 4.618 4.101 4.850 . 0 0 "[ . 1 . 2]" 2
47 1 41 GLU H 1 42 ALA H . . 4.440 4.383 4.343 4.421 . 0 0 "[ . 1 . 2]" 2
48 1 34 TYR QE 1 42 ALA H . . 3.790 3.283 2.630 3.659 . 0 0 "[ . 1 . 2]" 2
49 1 41 GLU HA 1 42 ALA H . . 2.830 2.512 2.337 2.635 . 0 0 "[ . 1 . 2]" 2
50 1 42 ALA H 1 43 PRO HD2 . . 4.950 4.773 4.717 4.810 . 0 0 "[ . 1 . 2]" 2
51 1 41 GLU HB2 1 42 ALA H . . 3.190 2.354 2.189 2.644 . 0 0 "[ . 1 . 2]" 2
52 1 42 ALA H 1 42 ALA MB . . 2.810 2.162 2.026 2.245 . 0 0 "[ . 1 . 2]" 2
53 1 42 ALA H 1 43 PRO HD3 . . 4.950 4.769 4.688 4.887 . 0 0 "[ . 1 . 2]" 2
54 1 41 GLU HG2 1 42 ALA H . . 3.620 3.484 3.126 3.620 0.000 2 0 "[ . 1 . 2]" 2
55 1 9 CYS HA 1 33 HIS H . . 4.500 4.163 4.105 4.213 . 0 0 "[ . 1 . 2]" 2
56 1 32 PHE HB2 1 33 HIS H . . 4.150 3.900 3.635 4.020 . 0 0 "[ . 1 . 2]" 2
57 1 32 PHE QD 1 33 HIS H . . 4.490 4.243 4.024 4.405 . 0 0 "[ . 1 . 2]" 2
58 1 32 PHE HA 1 33 HIS H . . 3.080 2.240 2.194 2.364 . 0 0 "[ . 1 . 2]" 2
59 1 9 CYS HB3 1 33 HIS H . . 4.280 4.182 3.982 4.278 . 0 0 "[ . 1 . 2]" 2
60 1 33 HIS H 1 33 HIS HB3 . . 3.700 3.602 3.579 3.628 . 0 0 "[ . 1 . 2]" 2
61 1 33 HIS H 1 33 HIS HB2 . . 3.740 2.523 2.380 2.572 . 0 0 "[ . 1 . 2]" 2
62 1 32 PHE HB3 1 33 HIS H . . 3.400 2.892 2.543 3.055 . 0 0 "[ . 1 . 2]" 2
63 1 47 TRP H 1 48 TYR H . . 4.580 4.441 4.381 4.519 . 0 0 "[ . 1 . 2]" 2
64 1 48 TYR H 1 49 CYS H . . 4.540 4.217 4.130 4.308 . 0 0 "[ . 1 . 2]" 2
65 1 47 TRP HA 1 48 TYR H . . 2.720 2.198 2.159 2.290 . 0 0 "[ . 1 . 2]" 2
66 1 47 TRP HB2 1 48 TYR H . . 4.260 4.087 3.922 4.173 . 0 0 "[ . 1 . 2]" 2
67 1 48 TYR H 1 48 TYR HB2 . . 3.330 2.648 2.558 2.783 . 0 0 "[ . 1 . 2]" 2
68 1 29 ILE H 1 30 GLU H . . 3.020 2.240 2.146 2.332 . 0 0 "[ . 1 . 2]" 2
69 1 29 ILE H 1 31 TRP H . . 4.840 4.486 4.383 4.591 . 0 0 "[ . 1 . 2]" 2
70 1 29 ILE H 1 32 PHE HZ . . 5.050 3.978 3.809 4.178 . 0 0 "[ . 1 . 2]" 2
71 1 28 PRO HD2 1 29 ILE H . . 3.730 2.716 2.681 2.774 . 0 0 "[ . 1 . 2]" 2
72 1 28 PRO HD3 1 29 ILE H . . 4.080 3.879 3.860 3.910 . 0 0 "[ . 1 . 2]" 2
73 1 28 PRO HB3 1 29 ILE H . . 4.360 4.301 4.255 4.361 0.001 18 0 "[ . 1 . 2]" 2
74 1 28 PRO HG2 1 29 ILE H . . 3.410 2.748 2.631 2.905 . 0 0 "[ . 1 . 2]" 2
75 1 29 ILE H 1 29 ILE HB . . 3.220 2.675 2.627 2.743 . 0 0 "[ . 1 . 2]" 2
76 1 29 ILE H 1 29 ILE HG13 . . 3.800 2.438 2.313 2.487 . 0 0 "[ . 1 . 2]" 2
77 1 29 ILE H 1 29 ILE HG12 . . 4.030 3.692 3.536 3.839 . 0 0 "[ . 1 . 2]" 2
78 1 29 ILE H 1 29 ILE MG . . 4.040 3.858 3.841 3.887 . 0 0 "[ . 1 . 2]" 2
79 1 47 TRP HB3 1 48 TYR H . . 4.380 4.074 3.854 4.201 . 0 0 "[ . 1 . 2]" 2
80 1 48 TYR H 1 48 TYR HB3 . . 3.900 3.783 3.730 3.858 . 0 0 "[ . 1 . 2]" 2
81 1 20 VAL H 1 31 TRP HE3 . . 4.550 4.166 3.987 4.311 . 0 0 "[ . 1 . 2]" 2
82 1 20 VAL H 1 34 TYR QD . . 4.190 3.242 3.094 3.350 . 0 0 "[ . 1 . 2]" 2
83 1 19 MET HA 1 20 VAL H . . 3.010 2.227 2.189 2.273 . 0 0 "[ . 1 . 2]" 2
84 1 20 VAL H 1 32 PHE HB2 . . 4.650 3.979 3.805 4.124 . 0 0 "[ . 1 . 2]" 2
85 1 19 MET HG2 1 20 VAL H . . 4.630 4.208 4.077 4.628 . 0 0 "[ . 1 . 2]" 2
86 1 19 MET HB3 1 20 VAL H . . 3.830 2.932 2.777 3.080 . 0 0 "[ . 1 . 2]" 2
87 1 19 MET HB2 1 20 VAL H . . 4.110 4.028 3.934 4.105 . 0 0 "[ . 1 . 2]" 2
88 1 20 VAL H 1 20 VAL HB . . 3.950 3.002 2.842 3.224 . 0 0 "[ . 1 . 2]" 2
89 1 20 VAL H 1 33 HIS HA . . 4.510 3.943 3.803 4.092 . 0 0 "[ . 1 . 2]" 2
90 1 53 THR H 1 54 ALA H . . 3.350 2.860 2.817 2.910 . 0 0 "[ . 1 . 2]" 2
91 1 54 ALA H 1 56 MET H . . 4.390 4.113 4.031 4.186 . 0 0 "[ . 1 . 2]" 2
92 1 54 ALA H 1 54 ALA HA . . 2.940 2.853 2.817 2.880 . 0 0 "[ . 1 . 2]" 2
93 1 54 ALA H 1 54 ALA MB . . 2.780 2.104 2.073 2.122 . 0 0 "[ . 1 . 2]" 2
94 1 19 MET H 1 19 MET HG3 . . 4.100 3.179 3.002 3.927 . 0 0 "[ . 1 . 2]" 2
95 1 19 MET H 1 19 MET HB2 . . 3.590 2.538 2.481 2.576 . 0 0 "[ . 1 . 2]" 2
96 1 18 GLU HB2 1 19 MET H . . 4.700 4.475 4.383 4.538 . 0 0 "[ . 1 . 2]" 2
97 1 19 MET H 1 19 MET HG2 . . 3.870 3.614 3.068 3.761 . 0 0 "[ . 1 . 2]" 2
98 1 19 MET H 1 19 MET HB3 . . 3.760 3.716 3.683 3.740 . 0 0 "[ . 1 . 2]" 2
99 1 18 GLU HB3 1 19 MET H . . 4.050 3.655 3.521 3.737 . 0 0 "[ . 1 . 2]" 2
100 1 43 PRO HA 1 44 LYS H . . 2.930 2.206 2.150 2.290 . 0 0 "[ . 1 . 2]" 2
101 1 43 PRO HB2 1 44 LYS H . . 4.230 3.935 3.668 4.133 . 0 0 "[ . 1 . 2]" 2
102 1 44 LYS H 1 44 LYS HB2 . . 3.710 2.308 2.163 2.577 . 0 0 "[ . 1 . 2]" 2
103 1 44 LYS H 1 44 LYS HB3 . . 3.710 3.511 3.110 3.609 . 0 0 "[ . 1 . 2]" 2
104 1 17 GLY HA2 1 18 GLU H . . 3.090 2.673 2.521 3.100 0.010 19 0 "[ . 1 . 2]" 2
105 1 17 GLY HA3 1 18 GLU H . . 3.090 2.467 2.169 2.606 . 0 0 "[ . 1 . 2]" 2
106 1 18 GLU H 1 18 GLU HG3 . . 3.750 3.130 2.392 3.758 0.008 11 0 "[ . 1 . 2]" 2
107 1 18 GLU H 1 18 GLU HB2 . . 3.150 2.281 2.179 2.504 . 0 0 "[ . 1 . 2]" 2
108 1 18 GLU H 1 18 GLU HB3 . . 3.660 3.530 3.481 3.641 . 0 0 "[ . 1 . 2]" 2
109 1 23 ASP HB3 1 24 ASN H . . 4.440 2.961 2.640 3.659 . 0 0 "[ . 1 . 2]" 2
110 1 24 ASN H 1 48 TYR QD . . 3.550 3.044 2.563 3.317 . 0 0 "[ . 1 . 2]" 2
111 1 24 ASN H 1 48 TYR QE . . 4.130 3.474 3.007 3.734 . 0 0 "[ . 1 . 2]" 2
112 1 24 ASN H 1 48 TYR HA . . 4.390 4.211 3.993 4.397 0.007 2 0 "[ . 1 . 2]" 2
113 1 24 ASN H 1 24 ASN HB3 . . 3.160 2.659 2.558 2.702 . 0 0 "[ . 1 . 2]" 2
114 1 24 ASN H 1 27 CYS HB2 . . 4.380 4.113 3.877 4.254 . 0 0 "[ . 1 . 2]" 2
115 1 24 ASN H 1 24 ASN HB2 . . 3.190 2.496 2.399 2.626 . 0 0 "[ . 1 . 2]" 2
116 1 23 ASP HB2 1 24 ASN H . . 4.440 3.702 2.955 4.101 . 0 0 "[ . 1 . 2]" 2
117 1 22 CYS QB 1 24 ASN H . . 4.180 3.509 3.237 3.713 . 0 0 "[ . 1 . 2]" 2
118 1 45 GLY HA2 1 46 LYS H . . 3.190 2.935 2.791 3.137 . 0 0 "[ . 1 . 2]" 2
119 1 45 GLY HA3 1 46 LYS H . . 3.190 2.257 2.155 2.355 . 0 0 "[ . 1 . 2]" 2
120 1 46 LYS H 1 46 LYS HB2 . . 3.200 2.385 2.308 2.462 . 0 0 "[ . 1 . 2]" 2
121 1 46 LYS H 1 46 LYS HG3 . . 3.850 3.741 3.481 3.855 0.005 17 0 "[ . 1 . 2]" 2
122 1 46 LYS H 1 46 LYS HG2 . . 3.280 2.799 2.445 3.082 . 0 0 "[ . 1 . 2]" 2
123 1 53 THR H 1 55 ALA H . . 4.580 4.353 4.266 4.409 . 0 0 "[ . 1 . 2]" 2
124 1 52 CYS HA 1 55 ALA H . . 3.380 3.208 3.148 3.289 . 0 0 "[ . 1 . 2]" 2
125 1 53 THR HA 1 55 ALA H . . 4.860 4.451 4.312 4.632 . 0 0 "[ . 1 . 2]" 2
126 1 55 ALA H 1 58 ARG QB . . 5.500 5.296 5.030 5.503 0.003 10 0 "[ . 1 . 2]" 2
127 1 55 ALA H 1 55 ALA MB . . 2.520 2.146 2.044 2.252 . 0 0 "[ . 1 . 2]" 2
128 1 16 TYR H 1 33 HIS HD2 . . 4.040 3.706 3.209 3.927 . 0 0 "[ . 1 . 2]" 2
129 1 16 TYR H 1 16 TYR QD . . 3.800 2.695 2.392 3.123 . 0 0 "[ . 1 . 2]" 2
130 1 15 SER HA 1 16 TYR H . . 3.230 2.226 2.138 2.279 . 0 0 "[ . 1 . 2]" 2
131 1 15 SER QB 1 16 TYR H . . 3.860 3.753 3.677 3.841 . 0 0 "[ . 1 . 2]" 2
132 1 16 TYR H 1 19 MET ME . . 4.790 4.144 3.453 4.340 . 0 0 "[ . 1 . 2]" 2
133 1 31 TRP H 1 32 PHE H . . 4.650 3.892 3.694 4.099 . 0 0 "[ . 1 . 2]" 2
134 1 30 GLU H 1 31 TRP H . . 4.390 2.728 2.609 2.839 . 0 0 "[ . 1 . 2]" 2
135 1 31 TRP H 1 31 TRP HD1 . . 4.260 3.935 3.837 4.011 . 0 0 "[ . 1 . 2]" 2
136 1 31 TRP H 1 31 TRP HB3 . . 4.070 3.968 3.956 3.979 . 0 0 "[ . 1 . 2]" 2
137 1 31 TRP H 1 31 TRP HB2 . . 3.170 3.002 2.987 3.017 . 0 0 "[ . 1 . 2]" 2
138 1 30 GLU HG3 1 31 TRP H . . 5.500 5.184 4.644 5.498 . 0 0 "[ . 1 . 2]" 2
139 1 30 GLU H 1 32 PHE QE . . 4.470 2.699 2.484 2.899 . 0 0 "[ . 1 . 2]" 2
140 1 22 CYS QB 1 30 GLU H . . 4.490 3.214 3.081 3.319 . 0 0 "[ . 1 . 2]" 2
141 1 28 PRO HG2 1 30 GLU H . . 4.870 4.801 4.699 4.875 0.005 18 0 "[ . 1 . 2]" 2
142 1 29 ILE HB 1 30 GLU H . . 3.610 2.341 2.252 2.475 . 0 0 "[ . 1 . 2]" 2
143 1 33 HIS H 1 36 CYS H . . 4.580 4.325 4.182 4.423 . 0 0 "[ . 1 . 2]" 2
144 1 35 GLY H 1 36 CYS H . . 3.500 2.455 2.390 2.518 . 0 0 "[ . 1 . 2]" 2
145 1 33 HIS HB3 1 36 CYS H . . 3.330 3.070 2.815 3.147 . 0 0 "[ . 1 . 2]" 2
146 1 33 HIS HB2 1 36 CYS H . . 3.630 2.422 2.357 2.568 . 0 0 "[ . 1 . 2]" 2
147 1 36 CYS H 1 36 CYS HB2 . . 2.960 2.244 2.215 2.298 . 0 0 "[ . 1 . 2]" 2
148 1 34 TYR HB3 1 39 LEU H . . 4.200 3.151 3.039 3.268 . 0 0 "[ . 1 . 2]" 2
149 1 39 LEU H 1 39 LEU HG . . 3.770 3.607 3.511 3.730 . 0 0 "[ . 1 . 2]" 2
150 1 39 LEU H 1 40 THR MG . . 4.510 4.452 4.380 4.502 . 0 0 "[ . 1 . 2]" 2
151 1 39 LEU H 1 39 LEU HB2 . . 3.150 2.625 2.528 2.701 . 0 0 "[ . 1 . 2]" 2
152 1 37 VAL MG2 1 39 LEU H . . 3.510 3.173 2.995 3.325 . 0 0 "[ . 1 . 2]" 2
153 1 39 LEU H 1 39 LEU MD1 . . 4.460 4.279 4.200 4.372 . 0 0 "[ . 1 . 2]" 2
154 1 51 GLN H 1 52 CYS H . . 3.110 2.363 2.316 2.377 . 0 0 "[ . 1 . 2]" 2
155 1 49 CYS HA 1 51 GLN H . . 4.370 3.926 3.906 3.935 . 0 0 "[ . 1 . 2]" 2
156 1 51 GLN H 1 52 CYS HB2 . . 4.540 4.414 4.344 4.454 . 0 0 "[ . 1 . 2]" 2
157 1 51 GLN H 1 51 GLN QG . . 3.100 3.034 2.954 3.095 . 0 0 "[ . 1 . 2]" 2
158 1 49 CYS HB2 1 51 GLN H . . 2.970 2.903 2.881 2.927 . 0 0 "[ . 1 . 2]" 2
159 1 51 GLN H 1 51 GLN HB2 . . 2.910 2.188 2.169 2.210 . 0 0 "[ . 1 . 2]" 2
160 1 50 PRO HB2 1 51 GLN H . . 3.840 3.753 3.745 3.794 . 0 0 "[ . 1 . 2]" 2
161 1 51 GLN H 1 54 ALA MB . . 4.960 4.780 4.693 4.841 . 0 0 "[ . 1 . 2]" 2
162 1 8 TYR H 1 14 VAL HA . . 4.540 3.558 3.306 3.721 . 0 0 "[ . 1 . 2]" 2
163 1 8 TYR H 1 9 CYS H . . 3.870 2.579 2.476 2.669 . 0 0 "[ . 1 . 2]" 2
164 1 8 TYR H 1 8 TYR QD . . 3.810 3.012 2.786 3.330 . 0 0 "[ . 1 . 2]" 2
165 1 7 GLY HA2 1 8 TYR H . . 2.780 2.173 2.138 2.236 . 0 0 "[ . 1 . 2]" 2
166 1 7 GLY HA3 1 8 TYR H . . 3.490 3.331 3.008 3.465 . 0 0 "[ . 1 . 2]" 2
167 1 8 TYR H 1 8 TYR HB3 . . 3.690 3.578 3.533 3.637 . 0 0 "[ . 1 . 2]" 2
168 1 8 TYR H 1 8 TYR HB2 . . 3.200 2.366 2.295 2.512 . 0 0 "[ . 1 . 2]" 2
169 1 56 MET HG2 1 57 LYS H . . 5.170 4.911 4.837 5.053 . 0 0 "[ . 1 . 2]" 2
170 1 56 MET ME 1 57 LYS H . . 4.750 4.564 4.118 4.757 0.007 4 0 "[ . 1 . 2]" 2
171 1 58 ARG H 1 59 ARG H . . 3.740 2.838 2.629 3.086 . 0 0 "[ . 1 . 2]" 2
172 1 58 ARG H 1 58 ARG QB . . 3.220 2.343 2.257 2.497 . 0 0 "[ . 1 . 2]" 2
173 1 58 ARG H 1 58 ARG HG2 . . 3.580 3.474 3.334 3.585 0.005 13 0 "[ . 1 . 2]" 2
174 1 58 ARG H 1 58 ARG HG3 . . 3.580 2.496 2.125 2.727 . 0 0 "[ . 1 . 2]" 2
175 1 10 ILE H 1 11 CYS H . . 2.960 2.730 2.685 2.752 . 0 0 "[ . 1 . 2]" 2
176 1 11 CYS H 1 12 ASN H . . 3.070 2.660 2.593 2.690 . 0 0 "[ . 1 . 2]" 2
177 1 9 CYS HB3 1 11 CYS H . . 3.380 2.862 2.677 2.988 . 0 0 "[ . 1 . 2]" 2
178 1 9 CYS HA 1 11 CYS H . . 4.270 4.082 3.983 4.141 . 0 0 "[ . 1 . 2]" 2
179 1 11 CYS H 1 11 CYS HB2 . . 3.770 3.619 3.605 3.637 . 0 0 "[ . 1 . 2]" 2
180 1 11 CYS H 1 11 CYS HB3 . . 3.770 2.731 2.667 2.817 . 0 0 "[ . 1 . 2]" 2
181 1 10 ILE HB 1 11 CYS H . . 3.970 3.805 3.714 3.922 . 0 0 "[ . 1 . 2]" 2
182 1 10 ILE HG13 1 11 CYS H . . 3.500 2.277 2.120 2.492 . 0 0 "[ . 1 . 2]" 2
183 1 10 ILE HG12 1 11 CYS H . . 3.650 3.319 3.134 3.468 . 0 0 "[ . 1 . 2]" 2
184 1 10 ILE MG 1 11 CYS H . . 4.240 4.154 4.107 4.213 . 0 0 "[ . 1 . 2]" 2
185 1 10 ILE MD 1 11 CYS H . . 4.380 3.957 3.818 4.137 . 0 0 "[ . 1 . 2]" 2
186 1 9 CYS HB2 1 11 CYS H . . 4.360 4.196 4.100 4.254 . 0 0 "[ . 1 . 2]" 2
187 1 40 THR H 1 41 GLU H . . 3.230 2.621 2.093 2.929 . 0 0 "[ . 1 . 2]" 2
188 1 41 GLU H 1 41 GLU HB3 . . 3.380 3.199 3.079 3.376 . 0 0 "[ . 1 . 2]" 2
189 1 41 GLU H 1 41 GLU HG2 . . 3.360 2.900 2.512 3.246 . 0 0 "[ . 1 . 2]" 2
190 1 40 THR MG 1 41 GLU H . . 4.230 3.919 3.861 4.116 . 0 0 "[ . 1 . 2]" 2
191 1 39 LEU HB2 1 41 GLU H . . 5.010 4.779 4.356 5.004 . 0 0 "[ . 1 . 2]" 2
192 1 39 LEU HB3 1 41 GLU H . . 3.540 3.320 2.848 3.501 . 0 0 "[ . 1 . 2]" 2
193 1 39 LEU MD2 1 41 GLU H . . 4.100 3.582 3.363 3.896 . 0 0 "[ . 1 . 2]" 2
194 1 8 TYR HB3 1 9 CYS H . . 3.360 2.652 2.498 2.756 . 0 0 "[ . 1 . 2]" 2
195 1 8 TYR HB2 1 9 CYS H . . 3.370 2.293 2.204 2.359 . 0 0 "[ . 1 . 2]" 2
196 1 9 CYS H 1 29 ILE MG . . 3.810 3.449 3.321 3.638 . 0 0 "[ . 1 . 2]" 2
197 1 12 ASN HB2 1 13 GLN H . . 4.870 4.422 4.348 4.643 . 0 0 "[ . 1 . 2]" 2
198 1 13 GLN H 1 13 GLN HB3 . . 3.760 3.763 3.735 3.785 0.025 7 0 "[ . 1 . 2]" 2
199 1 20 VAL H 1 32 PHE H . . 3.700 2.830 2.653 2.992 . 0 0 "[ . 1 . 2]" 2
200 1 32 PHE H 1 32 PHE QD . . 3.250 2.545 2.304 2.814 . 0 0 "[ . 1 . 2]" 2
201 1 32 PHE H 1 32 PHE QE . . 5.020 4.706 4.519 4.908 . 0 0 "[ . 1 . 2]" 2
202 1 31 TRP HE3 1 32 PHE H . . 4.080 3.813 3.573 4.034 . 0 0 "[ . 1 . 2]" 2
203 1 31 TRP HA 1 32 PHE H . . 2.880 2.155 2.144 2.167 . 0 0 "[ . 1 . 2]" 2
204 1 21 GLY HA2 1 32 PHE H . . 4.200 3.788 3.598 3.976 . 0 0 "[ . 1 . 2]" 2
205 1 32 PHE H 1 32 PHE HB3 . . 4.060 3.867 3.821 3.919 . 0 0 "[ . 1 . 2]" 2
206 1 32 PHE H 1 32 PHE HB2 . . 3.240 2.803 2.723 2.902 . 0 0 "[ . 1 . 2]" 2
207 1 31 TRP HB2 1 32 PHE H . . 4.440 4.360 4.208 4.472 0.032 5 0 "[ . 1 . 2]" 2
208 1 19 MET HB3 1 32 PHE H . . 4.330 3.174 2.847 3.402 . 0 0 "[ . 1 . 2]" 2
209 1 20 VAL MG1 1 32 PHE H . . 4.020 2.905 2.674 3.104 . 0 0 "[ . 1 . 2]" 2
210 1 13 GLN H 1 13 GLN HE21 . . 4.920 4.423 4.334 4.514 . 0 0 "[ . 1 . 2]" 2
211 1 12 ASN HA 1 13 GLN H . . 3.420 2.663 2.626 2.744 . 0 0 "[ . 1 . 2]" 2
212 1 13 GLN H 1 13 GLN HB2 . . 3.210 2.615 2.569 2.651 . 0 0 "[ . 1 . 2]" 2
213 1 53 THR H 1 53 THR HB . . 2.870 2.680 2.198 2.770 . 0 0 "[ . 1 . 2]" 2
214 1 48 TYR HB3 1 53 THR H . . 4.000 3.403 3.163 3.478 . 0 0 "[ . 1 . 2]" 2
215 1 48 TYR HB2 1 53 THR H . . 4.450 4.241 4.002 4.314 . 0 0 "[ . 1 . 2]" 2
216 1 53 THR H 1 53 THR MG . . 3.820 3.720 2.911 3.771 . 0 0 "[ . 1 . 2]" 2
217 1 52 CYS HB2 1 53 THR H . . 3.510 2.381 2.308 2.422 . 0 0 "[ . 1 . 2]" 2
218 1 53 THR H 1 54 ALA MB . . 4.510 4.470 4.447 4.514 0.004 20 0 "[ . 1 . 2]" 2
219 1 56 MET H 1 56 MET HG3 . . 3.350 2.249 1.956 2.362 . 0 0 "[ . 1 . 2]" 2
220 1 55 ALA H 1 56 MET H . . 3.030 2.572 2.505 2.680 . 0 0 "[ . 1 . 2]" 2
221 1 56 MET H 1 57 LYS H . . 3.010 2.687 2.611 2.748 . 0 0 "[ . 1 . 2]" 2
222 1 53 THR HA 1 56 MET H . . 4.200 3.675 3.490 3.923 . 0 0 "[ . 1 . 2]" 2
223 1 56 MET H 1 56 MET HG2 . . 3.560 3.179 3.024 3.374 . 0 0 "[ . 1 . 2]" 2
224 1 56 MET H 1 56 MET QB . . 2.920 2.464 2.416 2.546 . 0 0 "[ . 1 . 2]" 2
225 1 55 ALA MB 1 56 MET H . . 3.190 2.515 2.353 2.642 . 0 0 "[ . 1 . 2]" 2
226 1 21 GLY H 1 31 TRP HE3 . . 4.370 4.138 3.877 4.290 . 0 0 "[ . 1 . 2]" 2
227 1 21 GLY H 1 31 TRP HZ3 . . 3.990 3.907 3.571 4.009 0.019 7 0 "[ . 1 . 2]" 2
228 1 20 VAL MG2 1 21 GLY H . . 3.080 2.936 2.816 3.049 . 0 0 "[ . 1 . 2]" 2
229 1 20 VAL MG1 1 21 GLY H . . 4.460 4.165 4.112 4.285 . 0 0 "[ . 1 . 2]" 2
230 1 14 VAL HA 1 15 SER H . . 3.150 2.342 2.257 2.420 . 0 0 "[ . 1 . 2]" 2
231 1 15 SER H 1 15 SER QB . . 3.480 2.488 2.138 2.687 . 0 0 "[ . 1 . 2]" 2
232 1 14 VAL HB 1 15 SER H . . 3.270 2.530 2.333 2.781 . 0 0 "[ . 1 . 2]" 2
233 1 14 VAL MG1 1 15 SER H . . 3.790 3.561 3.514 3.623 . 0 0 "[ . 1 . 2]" 2
234 1 26 ASP H 1 27 CYS H . . 2.740 2.595 2.465 2.679 . 0 0 "[ . 1 . 2]" 2
235 1 24 ASN HB3 1 24 ASN HD22 . . 3.490 3.472 3.450 3.525 0.035 18 0 "[ . 1 . 2]" 2
236 1 24 ASN HB2 1 24 ASN HD22 . . 3.890 3.796 3.705 3.849 . 0 0 "[ . 1 . 2]" 2
237 1 13 GLN HB3 1 14 VAL H . . 2.940 2.540 2.476 2.667 . 0 0 "[ . 1 . 2]" 2
238 1 14 VAL H 1 14 VAL MG2 . . 2.930 1.974 1.869 2.024 . 0 0 "[ . 1 . 2]" 2
239 1 39 LEU HA 1 40 THR H . . 3.550 2.213 2.138 2.346 . 0 0 "[ . 1 . 2]" 2
240 1 44 LYS H 1 45 GLY H . . 3.750 2.990 2.778 3.233 . 0 0 "[ . 1 . 2]" 2
241 1 43 PRO HB3 1 45 GLY H . . 5.160 4.969 4.803 5.136 . 0 0 "[ . 1 . 2]" 2
242 1 43 PRO HB2 1 45 GLY H . . 4.160 3.820 3.539 3.972 . 0 0 "[ . 1 . 2]" 2
243 1 44 LYS HB2 1 45 GLY H . . 3.670 2.613 2.277 3.330 . 0 0 "[ . 1 . 2]" 2
244 1 44 LYS HB3 1 45 GLY H . . 3.670 3.022 2.138 3.349 . 0 0 "[ . 1 . 2]" 2
245 1 6 SER HA 1 7 GLY H . . 3.300 2.548 2.147 3.367 0.067 6 0 "[ . 1 . 2]" 2
246 1 7 GLY H 1 7 GLY HA2 . . 2.860 2.706 2.304 2.860 . 0 0 "[ . 1 . 2]" 2
247 1 17 GLY H 1 18 GLU H . . 4.730 4.611 4.558 4.648 . 0 0 "[ . 1 . 2]" 2
248 1 16 TYR HA 1 17 GLY H . . 3.250 2.524 2.398 2.565 . 0 0 "[ . 1 . 2]" 2
249 1 16 TYR HB2 1 17 GLY H . . 4.200 2.273 2.131 2.527 . 0 0 "[ . 1 . 2]" 2
250 1 16 TYR QD 1 17 GLY H . . 4.510 2.669 2.344 2.977 . 0 0 "[ . 1 . 2]" 2
251 1 16 TYR HB3 1 17 GLY H . . 4.200 3.733 3.576 3.901 . 0 0 "[ . 1 . 2]" 2
252 1 38 GLY H 1 39 LEU H . . 3.170 2.799 2.705 2.868 . 0 0 "[ . 1 . 2]" 2
253 1 36 CYS HA 1 38 GLY H . . 4.720 4.421 4.326 4.517 . 0 0 "[ . 1 . 2]" 2
254 1 37 VAL MG1 1 38 GLY H . . 4.310 3.923 3.857 3.986 . 0 0 "[ . 1 . 2]" 2
255 1 38 GLY H 1 39 LEU HB2 . . 4.760 4.252 4.170 4.333 . 0 0 "[ . 1 . 2]" 2
256 1 37 VAL MG2 1 38 GLY H . . 3.690 2.257 2.026 2.510 . 0 0 "[ . 1 . 2]" 2
257 1 37 VAL H 1 39 LEU H . . 4.610 4.558 4.442 4.610 . 0 0 "[ . 1 . 2]" 2
258 1 37 VAL H 1 38 GLY HA2 . . 4.990 4.509 4.433 4.554 . 0 0 "[ . 1 . 2]" 2
259 1 34 TYR HA 1 37 VAL H . . 3.850 3.669 3.628 3.747 . 0 0 "[ . 1 . 2]" 2
260 1 36 CYS HB2 1 37 VAL H . . 3.470 2.838 2.750 2.898 . 0 0 "[ . 1 . 2]" 2
261 1 37 VAL H 1 37 VAL MG1 . . 3.310 2.346 2.217 2.466 . 0 0 "[ . 1 . 2]" 2
262 1 37 VAL H 1 37 VAL MG2 . . 2.960 2.094 1.883 2.292 . 0 0 "[ . 1 . 2]" 2
263 1 37 VAL H 1 37 VAL HB . . 4.090 3.687 3.672 3.704 . 0 0 "[ . 1 . 2]" 2
264 1 34 TYR H 1 35 GLY H . . 3.890 2.562 2.471 2.627 . 0 0 "[ . 1 . 2]" 2
265 1 33 HIS HB3 1 35 GLY H . . 3.230 2.814 2.614 2.931 . 0 0 "[ . 1 . 2]" 2
266 1 33 HIS HB2 1 35 GLY H . . 4.010 3.580 3.468 3.714 . 0 0 "[ . 1 . 2]" 2
267 1 34 TYR HB3 1 35 GLY H . . 3.730 3.545 3.435 3.642 . 0 0 "[ . 1 . 2]" 2
268 1 34 TYR HB2 1 35 GLY H . . 3.550 2.884 2.791 2.990 . 0 0 "[ . 1 . 2]" 2
269 1 9 CYS H 1 11 CYS H . . 4.980 4.922 4.797 4.990 0.010 19 0 "[ . 1 . 2]" 2
270 1 9 CYS H 1 33 HIS H . . 5.500 5.455 5.282 5.512 0.012 11 0 "[ . 1 . 2]" 2
271 1 9 CYS H 1 10 ILE H . . 5.240 4.647 4.643 4.648 . 0 0 "[ . 1 . 2]" 2
272 1 8 TYR H 1 29 ILE MG . . 5.250 4.605 4.390 4.838 . 0 0 "[ . 1 . 2]" 2
273 1 8 TYR H 1 14 VAL MG2 . . 5.500 5.471 5.287 5.509 0.009 18 0 "[ . 1 . 2]" 2
274 1 8 TYR H 1 19 MET ME . . 5.500 5.208 4.788 5.486 . 0 0 "[ . 1 . 2]" 2
275 1 7 GLY H 1 8 TYR HB2 . . 5.460 5.185 4.679 5.406 . 0 0 "[ . 1 . 2]" 2
276 1 6 SER H 1 7 GLY H . . 4.590 4.020 1.823 4.585 . 0 0 "[ . 1 . 2]" 2
277 1 7 GLY H 1 14 VAL MG1 . . 5.100 4.186 2.718 4.789 . 0 0 "[ . 1 . 2]" 2
278 1 11 CYS H 1 29 ILE MG . . 5.500 5.464 5.359 5.511 0.011 3 0 "[ . 1 . 2]" 2
279 1 11 CYS H 1 29 ILE MD . . 5.430 5.114 4.912 5.367 . 0 0 "[ . 1 . 2]" 2
280 1 9 CYS HB2 1 12 ASN H . . 5.350 5.354 5.338 5.365 0.015 6 0 "[ . 1 . 2]" 2
281 1 9 CYS HB3 1 12 ASN H . . 4.250 3.859 3.835 3.873 . 0 0 "[ . 1 . 2]" 2
282 1 10 ILE H 1 12 ASN H . . 5.080 4.224 4.176 4.284 . 0 0 "[ . 1 . 2]" 2
283 1 12 ASN HB3 1 13 GLN H . . 4.870 4.367 4.316 4.413 . 0 0 "[ . 1 . 2]" 2
284 1 11 CYS H 1 13 GLN H . . 4.610 3.976 3.855 4.093 . 0 0 "[ . 1 . 2]" 2
285 1 13 GLN HE22 1 13 GLN HG2 . . 4.090 3.537 3.503 3.575 . 0 0 "[ . 1 . 2]" 2
286 1 13 GLN H 1 14 VAL H . . 4.510 4.471 4.459 4.484 . 0 0 "[ . 1 . 2]" 2
287 1 15 SER H 1 16 TYR H . . 4.970 4.149 4.047 4.432 . 0 0 "[ . 1 . 2]" 2
288 1 8 TYR QE 1 15 SER H . . 4.690 4.644 4.456 4.694 0.004 9 0 "[ . 1 . 2]" 2
289 1 16 TYR H 1 19 MET HG2 . . 5.310 4.109 3.525 4.312 . 0 0 "[ . 1 . 2]" 2
290 1 16 TYR H 1 19 MET HG3 . . 5.130 3.704 3.096 3.900 . 0 0 "[ . 1 . 2]" 2
291 1 16 TYR H 1 17 GLY H . . 4.900 4.441 4.411 4.458 . 0 0 "[ . 1 . 2]" 2
292 1 18 GLU H 1 34 TYR HB2 . . 5.400 5.167 4.929 5.370 . 0 0 "[ . 1 . 2]" 2
293 1 19 MET H 1 34 TYR QE . . 4.830 3.905 3.509 4.224 . 0 0 "[ . 1 . 2]" 2
294 1 20 VAL H 1 32 PHE HB3 . . 5.450 5.153 4.954 5.338 . 0 0 "[ . 1 . 2]" 2
295 1 20 VAL H 1 34 TYR HA . . 5.500 5.017 4.908 5.203 . 0 0 "[ . 1 . 2]" 2
296 1 20 VAL H 1 32 PHE QD . . 5.500 4.806 4.656 4.873 . 0 0 "[ . 1 . 2]" 2
297 1 19 MET H 1 20 VAL H . . 4.620 4.474 4.431 4.512 . 0 0 "[ . 1 . 2]" 2
298 1 20 VAL H 1 21 GLY H . . 4.590 4.203 4.147 4.280 . 0 0 "[ . 1 . 2]" 2
299 1 21 GLY H 1 31 TRP HA . . 5.330 4.372 4.237 4.523 . 0 0 "[ . 1 . 2]" 2
300 1 21 GLY H 1 34 TYR QE . . 5.180 5.026 4.860 5.125 . 0 0 "[ . 1 . 2]" 2
301 1 22 CYS H 1 49 CYS H . . 5.500 5.332 5.191 5.496 . 0 0 "[ . 1 . 2]" 2
302 1 22 CYS H 1 23 ASP H . . 4.900 4.534 4.458 4.596 . 0 0 "[ . 1 . 2]" 2
303 1 22 CYS H 1 30 GLU H . . 5.500 4.272 4.112 4.490 . 0 0 "[ . 1 . 2]" 2
304 1 23 ASP H 1 47 TRP HZ3 . . 5.250 4.249 4.004 4.581 . 0 0 "[ . 1 . 2]" 2
305 1 24 ASN H 1 24 ASN HD21 . . 4.860 4.793 4.767 4.815 . 0 0 "[ . 1 . 2]" 2
306 1 24 ASN H 1 27 CYS H . . 5.340 4.994 4.795 5.154 . 0 0 "[ . 1 . 2]" 2
307 1 24 ASN H 1 26 ASP H . . 5.500 5.417 5.202 5.528 0.028 7 0 "[ . 1 . 2]" 2
308 1 23 ASP H 1 24 ASN H . . 3.290 2.814 2.668 2.943 . 0 0 "[ . 1 . 2]" 2
309 1 24 ASN HD21 1 27 CYS HB2 . . 5.350 3.598 3.417 3.982 . 0 0 "[ . 1 . 2]" 2
310 1 24 ASN HA 1 26 ASP H . . 4.780 3.456 3.318 3.579 . 0 0 "[ . 1 . 2]" 2
311 1 24 ASN HD21 1 26 ASP H . . 5.050 4.187 3.949 4.336 . 0 0 "[ . 1 . 2]" 2
312 1 25 GLN QB 1 27 CYS H . . 4.680 4.533 4.383 4.674 . 0 0 "[ . 1 . 2]" 2
313 1 24 ASN HA 1 27 CYS H . . 4.990 4.477 4.356 4.703 . 0 0 "[ . 1 . 2]" 2
314 1 27 CYS H 1 29 ILE H . . 5.500 5.364 5.161 5.480 . 0 0 "[ . 1 . 2]" 2
315 1 27 CYS H 1 30 GLU H . . 5.310 5.196 5.064 5.317 0.007 2 0 "[ . 1 . 2]" 2
316 1 27 CYS HB3 1 29 ILE H . . 4.440 3.209 2.920 3.331 . 0 0 "[ . 1 . 2]" 2
317 1 27 CYS HB2 1 29 ILE H . . 4.920 4.451 4.334 4.538 . 0 0 "[ . 1 . 2]" 2
318 1 22 CYS QB 1 29 ILE H . . 5.500 4.852 4.734 5.017 . 0 0 "[ . 1 . 2]" 2
319 1 29 ILE H 1 32 PHE QE . . 4.680 4.270 4.081 4.436 . 0 0 "[ . 1 . 2]" 2
320 1 30 GLU H 1 32 PHE QD . . 5.230 4.624 4.457 4.762 . 0 0 "[ . 1 . 2]" 2
321 1 19 MET ME 1 31 TRP H . . 4.810 4.306 4.185 4.441 . 0 0 "[ . 1 . 2]" 2
322 1 31 TRP H 1 32 PHE QD . . 4.000 2.926 2.659 3.116 . 0 0 "[ . 1 . 2]" 2
323 1 20 VAL MG2 1 32 PHE H . . 5.500 4.772 4.582 4.915 . 0 0 "[ . 1 . 2]" 2
324 1 29 ILE MG 1 32 PHE H . . 5.500 4.440 4.117 4.680 . 0 0 "[ . 1 . 2]" 2
325 1 19 MET HB2 1 32 PHE H . . 5.080 4.864 4.506 5.091 0.011 10 0 "[ . 1 . 2]" 2
326 1 22 CYS H 1 32 PHE H . . 5.060 4.515 4.223 4.695 . 0 0 "[ . 1 . 2]" 2
327 1 32 PHE H 1 33 HIS H . . 4.420 4.378 4.292 4.452 0.032 10 0 "[ . 1 . 2]" 2
328 1 33 HIS H 1 37 VAL MG2 . . 4.980 4.665 4.438 4.846 . 0 0 "[ . 1 . 2]" 2
329 1 33 HIS H 1 34 TYR H . . 5.040 4.624 4.600 4.632 . 0 0 "[ . 1 . 2]" 2
330 1 10 ILE H 1 33 HIS H . . 5.500 4.398 4.299 4.448 . 0 0 "[ . 1 . 2]" 2
331 1 34 TYR H 1 37 VAL MG2 . . 4.630 4.225 4.113 4.351 . 0 0 "[ . 1 . 2]" 2
332 1 33 HIS HD2 1 34 TYR H . . 5.420 4.439 3.911 4.538 . 0 0 "[ . 1 . 2]" 2
333 1 35 GLY H 1 39 LEU HB2 . . 5.500 5.480 5.408 5.508 0.008 16 0 "[ . 1 . 2]" 2
334 1 35 GLY H 1 37 VAL MG2 . . 4.850 4.368 4.200 4.590 . 0 0 "[ . 1 . 2]" 2
335 1 33 HIS HA 1 35 GLY H . . 4.880 4.151 4.078 4.280 . 0 0 "[ . 1 . 2]" 2
336 1 34 TYR QD 1 35 GLY H . . 4.680 4.378 4.312 4.491 . 0 0 "[ . 1 . 2]" 2
337 1 33 HIS HA 1 36 CYS H . . 4.740 4.454 4.391 4.510 . 0 0 "[ . 1 . 2]" 2
338 1 36 CYS H 1 37 VAL HA . . 5.140 5.143 5.114 5.155 0.015 8 0 "[ . 1 . 2]" 2
339 1 34 TYR H 1 36 CYS H . . 5.110 3.965 3.883 4.029 . 0 0 "[ . 1 . 2]" 2
340 1 36 CYS H 1 38 GLY H . . 3.800 3.632 3.540 3.713 . 0 0 "[ . 1 . 2]" 2
341 1 35 GLY H 1 37 VAL H . . 4.740 4.108 3.992 4.268 . 0 0 "[ . 1 . 2]" 2
342 1 38 GLY H 1 39 LEU MD1 . . 5.490 4.816 4.601 4.982 . 0 0 "[ . 1 . 2]" 2
343 1 38 GLY H 1 39 LEU HG . . 4.580 4.367 4.157 4.578 . 0 0 "[ . 1 . 2]" 2
344 1 37 VAL HB 1 38 GLY H . . 4.740 4.045 3.983 4.149 . 0 0 "[ . 1 . 2]" 2
345 1 36 CYS HB3 1 38 GLY H . . 5.500 5.359 5.245 5.466 . 0 0 "[ . 1 . 2]" 2
346 1 35 GLY H 1 38 GLY H . . 5.370 4.408 4.359 4.457 . 0 0 "[ . 1 . 2]" 2
347 1 37 VAL H 1 38 GLY H . . 2.920 2.193 2.118 2.236 . 0 0 "[ . 1 . 2]" 2
348 1 34 TYR HB2 1 39 LEU H . . 4.810 4.666 4.562 4.807 . 0 0 "[ . 1 . 2]" 2
349 1 34 TYR QD 1 39 LEU H . . 5.500 4.481 4.397 4.621 . 0 0 "[ . 1 . 2]" 2
350 1 39 LEU H 1 40 THR H . . 5.380 3.892 3.518 4.323 . 0 0 "[ . 1 . 2]" 2
351 1 35 GLY H 1 39 LEU H . . 5.500 4.728 4.684 4.778 . 0 0 "[ . 1 . 2]" 2
352 1 39 LEU HB3 1 40 THR H . . 4.770 3.750 3.002 4.146 . 0 0 "[ . 1 . 2]" 2
353 1 40 THR H 1 40 THR MG . . 4.540 2.206 1.942 2.782 . 0 0 "[ . 1 . 2]" 2
354 1 39 LEU HB2 1 40 THR H . . 5.040 4.471 4.154 4.575 . 0 0 "[ . 1 . 2]" 2
355 1 34 TYR QE 1 41 GLU H . . 4.740 4.553 3.642 4.743 0.003 8 0 "[ . 1 . 2]" 2
356 1 34 TYR QD 1 41 GLU H . . 4.820 4.185 3.568 4.419 . 0 0 "[ . 1 . 2]" 2
357 1 45 GLY H 1 46 LYS H . . 4.480 4.230 3.967 4.361 . 0 0 "[ . 1 . 2]" 2
358 1 46 LYS H 1 46 LYS QE . . 5.180 4.717 3.576 5.185 0.005 10 0 "[ . 1 . 2]" 2
359 1 20 VAL MG2 1 47 TRP H . . 5.500 4.713 4.445 4.998 . 0 0 "[ . 1 . 2]" 2
360 1 47 TRP H 1 48 TYR QE . . 5.500 4.891 4.544 5.284 . 0 0 "[ . 1 . 2]" 2
361 1 47 TRP H 1 47 TRP HE3 . . 4.920 4.314 4.152 4.404 . 0 0 "[ . 1 . 2]" 2
362 1 46 LYS H 1 47 TRP H . . 4.790 4.512 4.430 4.582 . 0 0 "[ . 1 . 2]" 2
363 1 23 ASP H 1 47 TRP H . . 4.850 4.612 4.358 4.795 . 0 0 "[ . 1 . 2]" 2
364 1 48 TYR H 1 48 TYR QE . . 5.240 5.118 4.926 5.235 . 0 0 "[ . 1 . 2]" 2
365 1 47 TRP HD1 1 48 TYR H . . 4.170 3.856 3.519 4.158 . 0 0 "[ . 1 . 2]" 2
366 1 47 TRP HE3 1 48 TYR H . . 4.580 4.276 4.015 4.423 . 0 0 "[ . 1 . 2]" 2
367 1 47 TRP HE1 1 48 TYR H . . 5.230 4.641 4.208 4.961 . 0 0 "[ . 1 . 2]" 2
368 1 23 ASP H 1 48 TYR H . . 5.490 5.411 5.150 5.503 0.013 7 0 "[ . 1 . 2]" 2
369 1 47 TRP HZ3 1 49 CYS H . . 4.580 3.141 2.974 3.413 . 0 0 "[ . 1 . 2]" 2
370 1 32 PHE QE 1 49 CYS H . . 4.910 4.670 4.420 4.830 . 0 0 "[ . 1 . 2]" 2
371 1 51 GLN H 1 53 THR H . . 4.310 4.257 4.209 4.337 0.027 20 0 "[ . 1 . 2]" 2
372 1 28 PRO HB2 1 51 GLN HE22 . . 4.560 4.567 4.515 4.579 0.019 7 0 "[ . 1 . 2]" 2
373 1 29 ILE MD 1 51 GLN HE21 . . 5.330 2.884 1.893 3.563 . 0 0 "[ . 1 . 2]" 2
374 1 52 CYS H 1 53 THR HA . . 5.170 5.103 5.070 5.168 . 0 0 "[ . 1 . 2]" 2
375 1 53 THR H 1 56 MET QB . . 5.190 4.858 4.754 4.956 . 0 0 "[ . 1 . 2]" 2
376 1 51 GLN H 1 54 ALA H . . 4.870 4.805 4.742 4.848 . 0 0 "[ . 1 . 2]" 2
377 1 52 CYS HB2 1 54 ALA H . . 5.220 4.773 4.712 4.890 . 0 0 "[ . 1 . 2]" 2
378 1 54 ALA H 1 56 MET HG3 . . 5.360 5.238 5.131 5.353 . 0 0 "[ . 1 . 2]" 2
379 1 52 CYS H 1 55 ALA H . . 5.250 4.686 4.571 4.779 . 0 0 "[ . 1 . 2]" 2
380 1 54 ALA H 1 55 ALA H . . 3.090 2.539 2.440 2.654 . 0 0 "[ . 1 . 2]" 2
381 1 52 CYS HB2 1 55 ALA H . . 5.500 5.409 5.364 5.447 . 0 0 "[ . 1 . 2]" 2
382 1 55 ALA H 1 56 MET HG3 . . 4.440 4.280 3.989 4.379 . 0 0 "[ . 1 . 2]" 2
383 1 53 THR MG 1 55 ALA H . . 5.470 5.110 4.207 5.324 . 0 0 "[ . 1 . 2]" 2
384 1 52 CYS HB2 1 56 MET H . . 5.500 5.537 5.514 5.564 0.064 17 0 "[ . 1 . 2]" 2
385 1 58 ARG QB 1 59 ARG H . . 4.530 2.553 2.194 3.071 . 0 0 "[ . 1 . 2]" 2
386 1 11 CYS HB2 1 12 ASN H . . 4.770 4.383 4.359 4.411 . 0 0 "[ . 1 . 2]" 2
387 1 7 GLY HA3 1 13 GLN H . . 4.800 4.002 3.591 4.798 . 0 0 "[ . 1 . 2]" 2
388 1 13 GLN H 1 14 VAL MG2 . . 5.500 5.521 5.504 5.540 0.040 7 0 "[ . 1 . 2]" 2
389 1 52 CYS H 1 53 THR H . . 3.140 2.522 2.475 2.623 . 0 0 "[ . 1 . 2]" 2
390 1 52 CYS H 1 54 ALA H . . 4.590 3.722 3.641 3.848 . 0 0 "[ . 1 . 2]" 2
391 1 49 CYS HB3 1 52 CYS H . . 4.700 4.575 4.537 4.588 . 0 0 "[ . 1 . 2]" 2
392 1 30 GLU H 1 31 TRP HB2 . . 5.300 5.197 5.146 5.255 . 0 0 "[ . 1 . 2]" 2
393 1 8 TYR HB3 1 31 TRP H . . 5.280 4.765 4.527 5.060 . 0 0 "[ . 1 . 2]" 2
394 1 33 HIS H 1 37 VAL MG1 . . 4.520 3.583 3.287 3.761 . 0 0 "[ . 1 . 2]" 2
395 1 33 HIS H 1 36 CYS HB2 . . 3.480 2.890 2.746 2.989 . 0 0 "[ . 1 . 2]" 2
396 1 10 ILE MD 1 36 CYS H . . 5.500 5.253 5.120 5.341 . 0 0 "[ . 1 . 2]" 2
397 1 36 CYS H 1 37 VAL H . . 2.550 2.471 2.432 2.486 . 0 0 "[ . 1 . 2]" 2
398 1 47 TRP HH2 1 49 CYS H . . 5.300 3.880 3.697 4.085 . 0 0 "[ . 1 . 2]" 2
399 1 49 CYS H 1 50 PRO HD2 . . 4.740 4.724 4.719 4.730 . 0 0 "[ . 1 . 2]" 2
400 1 51 GLN H 1 52 CYS HA . . 5.170 5.046 5.007 5.059 . 0 0 "[ . 1 . 2]" 2
401 1 19 MET ME 1 32 PHE H . . 4.050 2.496 2.295 2.839 . 0 0 "[ . 1 . 2]" 2
402 1 19 MET H 1 19 MET ME . . 5.120 4.946 4.863 5.128 0.008 2 0 "[ . 1 . 2]" 2
403 1 9 CYS HA 1 19 MET ME . . 4.500 3.354 3.198 3.682 . 0 0 "[ . 1 . 2]" 2
404 1 19 MET ME 1 20 VAL H . . 4.260 3.432 3.232 4.092 . 0 0 "[ . 1 . 2]" 2
405 1 19 MET ME 1 33 HIS H . . 4.080 2.798 2.563 3.496 . 0 0 "[ . 1 . 2]" 2
406 1 9 CYS H 1 19 MET ME . . 3.740 3.270 3.084 3.470 . 0 0 "[ . 1 . 2]" 2
407 1 19 MET ME 1 31 TRP HE3 . . 3.690 3.190 2.688 3.409 . 0 0 "[ . 1 . 2]" 2
408 1 19 MET ME 1 33 HIS HD2 . . 3.750 2.098 1.952 3.756 0.006 2 0 "[ . 1 . 2]" 2
409 1 19 MET HA 1 19 MET ME . . 3.940 3.167 2.988 3.944 0.004 2 0 "[ . 1 . 2]" 2
410 1 19 MET ME 1 31 TRP HA . . 4.270 3.125 2.847 3.321 . 0 0 "[ . 1 . 2]" 2
411 1 19 MET ME 1 32 PHE HA . . 3.730 2.429 2.344 2.600 . 0 0 "[ . 1 . 2]" 2
412 1 19 MET ME 1 33 HIS HA . . 4.190 3.067 2.852 3.794 . 0 0 "[ . 1 . 2]" 2
413 1 9 CYS HB3 1 19 MET ME . . 4.360 3.761 3.586 3.943 . 0 0 "[ . 1 . 2]" 2
414 1 15 SER HA 1 19 MET ME . . 3.640 3.299 2.301 3.578 . 0 0 "[ . 1 . 2]" 2
415 1 8 TYR HB3 1 19 MET ME . . 3.600 3.500 3.299 3.597 . 0 0 "[ . 1 . 2]" 2
416 1 19 MET ME 1 31 TRP HB3 . . 3.180 2.038 1.921 2.208 . 0 0 "[ . 1 . 2]" 2
417 1 19 MET ME 1 31 TRP HB2 . . 3.440 2.943 2.683 3.121 . 0 0 "[ . 1 . 2]" 2
418 1 9 CYS HB2 1 19 MET ME . . 2.940 2.285 2.056 2.637 . 0 0 "[ . 1 . 2]" 2
419 1 19 MET ME 1 19 MET HG3 . . 3.520 3.329 2.259 3.396 . 0 0 "[ . 1 . 2]" 2
420 1 19 MET ME 1 19 MET HG2 . . 3.400 2.520 2.415 3.346 . 0 0 "[ . 1 . 2]" 2
421 1 19 MET HB3 1 19 MET ME . . 3.230 2.010 1.962 2.381 . 0 0 "[ . 1 . 2]" 2
422 1 19 MET HB2 1 19 MET ME . . 3.520 3.400 3.222 3.479 . 0 0 "[ . 1 . 2]" 2
423 1 10 ILE H 1 10 ILE MD . . 4.220 3.668 3.623 3.720 . 0 0 "[ . 1 . 2]" 2
424 1 10 ILE MD 1 32 PHE QD . . 4.190 3.517 3.322 3.692 . 0 0 "[ . 1 . 2]" 2
425 1 10 ILE MD 1 32 PHE QE . . 4.490 4.321 4.052 4.497 0.007 2 0 "[ . 1 . 2]" 2
426 1 10 ILE MD 1 36 CYS HB3 . . 3.250 2.171 2.033 2.250 . 0 0 "[ . 1 . 2]" 2
427 1 10 ILE HB 1 10 ILE MD . . 3.150 2.338 2.235 2.391 . 0 0 "[ . 1 . 2]" 2
428 1 10 ILE HA 1 10 ILE MD . . 4.340 4.177 4.164 4.181 . 0 0 "[ . 1 . 2]" 2
429 1 29 ILE MD 1 32 PHE QD . . 4.130 3.640 3.392 3.773 . 0 0 "[ . 1 . 2]" 2
430 1 29 ILE MD 1 32 PHE QE . . 3.580 2.232 1.953 2.504 . 0 0 "[ . 1 . 2]" 2
431 1 10 ILE HA 1 29 ILE MD . . 3.770 2.863 2.708 3.040 . 0 0 "[ . 1 . 2]" 2
432 1 9 CYS HA 1 29 ILE MD . . 4.370 3.331 3.135 3.532 . 0 0 "[ . 1 . 2]" 2
433 1 29 ILE MD 1 51 GLN QG . . 4.280 3.572 3.178 3.811 . 0 0 "[ . 1 . 2]" 2
434 1 10 ILE HB 1 29 ILE MD . . 5.170 4.547 4.450 4.660 . 0 0 "[ . 1 . 2]" 2
435 1 28 PRO HG2 1 29 ILE MD . . 3.750 3.380 3.097 3.540 . 0 0 "[ . 1 . 2]" 2
436 1 29 ILE HB 1 29 ILE MD . . 3.270 2.358 2.274 2.417 . 0 0 "[ . 1 . 2]" 2
437 1 10 ILE MG 1 29 ILE MD . . 3.330 2.483 2.306 2.700 . 0 0 "[ . 1 . 2]" 2
438 1 29 ILE MD 1 29 ILE MG . . 2.870 2.020 1.920 2.157 . 0 0 "[ . 1 . 2]" 2
439 1 29 ILE H 1 29 ILE MD . . 4.030 3.759 3.519 3.942 . 0 0 "[ . 1 . 2]" 2
440 1 29 ILE MD 1 32 PHE HZ . . 3.570 2.292 1.993 2.692 . 0 0 "[ . 1 . 2]" 2
441 1 29 ILE HA 1 29 ILE MD . . 3.900 3.889 3.827 3.944 0.044 18 0 "[ . 1 . 2]" 2
442 1 66 GLY QA 1 67 PRO HD2 . . 3.700 2.085 1.906 2.386 . 0 0 "[ . 1 . 2]" 2
443 1 66 GLY QA 1 67 PRO HD3 . . 3.700 2.360 2.235 2.836 . 0 0 "[ . 1 . 2]" 2
444 1 34 TYR HA 1 39 LEU HB3 . . 4.330 4.075 3.974 4.227 . 0 0 "[ . 1 . 2]" 2
445 1 58 ARG QB 1 58 ARG QD . . 3.120 2.181 2.071 2.340 . 0 0 "[ . 1 . 2]" 2
446 1 59 ARG QB 1 59 ARG QD . . 3.360 2.178 2.033 2.493 . 0 0 "[ . 1 . 2]" 2
447 1 56 MET HA 1 59 ARG QD . . 3.950 3.225 2.016 3.928 . 0 0 "[ . 1 . 2]" 2
448 1 39 LEU H 1 39 LEU HB3 . . 4.090 3.722 3.641 3.790 . 0 0 "[ . 1 . 2]" 2
449 1 39 LEU HB3 1 39 LEU MD1 . . 3.670 2.411 2.339 2.477 . 0 0 "[ . 1 . 2]" 2
450 1 32 PHE HB2 1 37 VAL MG2 . . 4.130 3.578 3.312 3.711 . 0 0 "[ . 1 . 2]" 2
451 1 46 LYS QE 1 46 LYS HG2 . . 3.260 2.423 2.081 3.377 0.117 14 0 "[ . 1 . 2]" 2
452 1 57 LYS QE 1 57 LYS HG3 . . 3.480 2.273 2.094 2.440 . 0 0 "[ . 1 . 2]" 2
453 1 53 THR MG 1 57 LYS QE . . 3.600 2.173 1.763 3.029 . 0 0 "[ . 1 . 2]" 2
454 1 53 THR HB 1 57 LYS QE . . 4.690 4.058 3.479 4.592 . 0 0 "[ . 1 . 2]" 2
455 1 57 LYS QE 1 57 LYS HG2 . . 3.480 3.109 2.365 3.416 . 0 0 "[ . 1 . 2]" 2
456 1 13 GLN H 1 33 HIS HE1 . . 4.220 4.093 4.006 4.166 . 0 0 "[ . 1 . 2]" 2
457 1 9 CYS HB3 1 33 HIS HE1 . . 3.780 3.037 2.966 3.186 . 0 0 "[ . 1 . 2]" 2
458 1 13 GLN HG3 1 33 HIS HE1 . . 3.720 3.475 3.331 3.649 . 0 0 "[ . 1 . 2]" 2
459 1 13 GLN HB3 1 33 HIS HE1 . . 3.130 3.074 2.916 3.129 . 0 0 "[ . 1 . 2]" 2
460 1 13 GLN HB2 1 33 HIS HE1 . . 3.180 2.029 1.997 2.136 . 0 0 "[ . 1 . 2]" 2
461 1 26 ASP H 1 26 ASP HB2 . . 3.790 2.501 2.207 2.933 . 0 0 "[ . 1 . 2]" 2
462 1 23 ASP H 1 23 ASP HB2 . . 3.690 2.392 2.179 2.691 . 0 0 "[ . 1 . 2]" 2
463 1 23 ASP HB2 1 46 LYS HB3 . . 4.460 3.947 3.584 4.382 . 0 0 "[ . 1 . 2]" 2
464 1 26 ASP H 1 26 ASP HB3 . . 3.790 3.113 2.242 3.633 . 0 0 "[ . 1 . 2]" 2
465 1 23 ASP H 1 23 ASP HB3 . . 3.690 2.878 2.383 3.553 . 0 0 "[ . 1 . 2]" 2
466 1 23 ASP HB3 1 46 LYS HB3 . . 4.460 4.360 4.135 4.466 0.006 12 0 "[ . 1 . 2]" 2
467 1 8 TYR HB2 1 19 MET ME . . 4.460 3.816 3.433 4.081 . 0 0 "[ . 1 . 2]" 2
468 1 29 ILE HB 1 31 TRP H . . 3.620 2.688 2.558 2.844 . 0 0 "[ . 1 . 2]" 2
469 1 29 ILE HB 1 32 PHE HZ . . 3.800 2.509 2.253 2.818 . 0 0 "[ . 1 . 2]" 2
470 1 29 ILE HB 1 32 PHE QE . . 4.000 2.780 2.527 3.004 . 0 0 "[ . 1 . 2]" 2
471 1 10 ILE H 1 10 ILE HB . . 4.150 3.599 3.591 3.609 . 0 0 "[ . 1 . 2]" 2
472 1 24 ASN HB3 1 48 TYR QD . . 4.240 4.013 3.815 4.170 . 0 0 "[ . 1 . 2]" 2
473 1 24 ASN HB3 1 27 CYS HB2 . . 3.910 2.613 2.464 2.730 . 0 0 "[ . 1 . 2]" 2
474 1 12 ASN H 1 12 ASN HB2 . . 4.140 3.289 2.930 3.450 . 0 0 "[ . 1 . 2]" 2
475 1 12 ASN H 1 12 ASN HB3 . . 4.140 3.987 3.593 4.077 . 0 0 "[ . 1 . 2]" 2
476 1 16 TYR QD 1 17 GLY HA2 . . 4.390 3.547 3.170 3.900 . 0 0 "[ . 1 . 2]" 2
477 1 14 VAL MG2 1 16 TYR QD . . 3.710 2.165 1.979 2.576 . 0 0 "[ . 1 . 2]" 2
478 1 23 ASP H 1 48 TYR QD . . 4.500 3.899 3.496 4.210 . 0 0 "[ . 1 . 2]" 2
479 1 24 ASN HB2 1 48 TYR QD . . 3.570 2.902 2.582 3.082 . 0 0 "[ . 1 . 2]" 2
480 1 8 TYR QD 1 15 SER H . . 4.610 3.452 3.266 3.602 . 0 0 "[ . 1 . 2]" 2
481 1 8 TYR QD 1 19 MET ME . . 4.780 4.769 4.599 4.791 0.011 11 0 "[ . 1 . 2]" 2
482 1 8 TYR QD 1 31 TRP H . . 4.850 4.725 4.615 4.835 . 0 0 "[ . 1 . 2]" 2
483 1 32 PHE QD 1 47 TRP HZ3 . . 4.010 3.007 2.808 3.365 . 0 0 "[ . 1 . 2]" 2
484 1 34 TYR HB3 1 39 LEU HB2 . . 3.830 3.016 2.861 3.289 . 0 0 "[ . 1 . 2]" 2
485 1 18 GLU HB2 1 34 TYR HB2 . . 4.360 3.810 3.231 4.079 . 0 0 "[ . 1 . 2]" 2
486 1 30 GLU HA 1 30 GLU HG2 . . 3.940 2.585 2.486 2.751 . 0 0 "[ . 1 . 2]" 2
487 1 53 THR HB 1 54 ALA H . . 3.560 2.855 2.649 3.650 0.090 20 0 "[ . 1 . 2]" 2
488 1 18 GLU H 1 18 GLU HG2 . . 3.750 3.574 2.974 3.755 0.005 12 0 "[ . 1 . 2]" 2
489 1 18 GLU HA 1 18 GLU HG2 . . 3.740 2.537 2.152 3.707 . 0 0 "[ . 1 . 2]" 2
490 1 53 THR HA 1 56 MET HG2 . . 5.500 5.070 4.728 5.294 . 0 0 "[ . 1 . 2]" 2
491 1 53 THR HA 1 56 MET QB . . 3.640 2.752 2.586 2.945 . 0 0 "[ . 1 . 2]" 2
492 1 41 GLU H 1 41 GLU HG3 . . 4.520 4.170 3.949 4.487 . 0 0 "[ . 1 . 2]" 2
493 1 20 VAL HB 1 34 TYR QD . . 4.080 3.667 3.389 3.911 . 0 0 "[ . 1 . 2]" 2
494 1 20 VAL HB 1 39 LEU MD1 . . 3.790 2.974 2.653 3.206 . 0 0 "[ . 1 . 2]" 2
495 1 51 GLN QG 1 52 CYS H . . 4.370 4.442 4.417 4.464 0.094 17 0 "[ . 1 . 2]" 2
496 1 51 GLN QG 1 54 ALA MB . . 5.000 4.616 4.576 4.654 . 0 0 "[ . 1 . 2]" 2
497 1 50 PRO HA 1 53 THR H . . 4.610 3.859 3.800 4.090 . 0 0 "[ . 1 . 2]" 2
498 1 50 PRO HA 1 53 THR MG . . 4.310 4.198 2.435 4.324 0.014 3 0 "[ . 1 . 2]" 2
499 1 13 GLN H 1 13 GLN HG3 . . 4.150 4.006 3.946 4.036 . 0 0 "[ . 1 . 2]" 2
500 1 11 CYS HB2 1 13 GLN HG3 . . 4.260 2.979 2.929 3.033 . 0 0 "[ . 1 . 2]" 2
501 1 13 GLN H 1 13 GLN HG2 . . 4.100 3.151 3.054 3.221 . 0 0 "[ . 1 . 2]" 2
502 1 25 GLN H 1 25 GLN QG . . 4.480 2.611 1.927 3.827 . 0 0 "[ . 1 . 2]" 2
503 1 46 LYS HB2 1 47 TRP H . . 4.510 4.206 4.075 4.316 . 0 0 "[ . 1 . 2]" 2
504 1 46 LYS HB2 1 46 LYS HG3 . . 2.890 2.296 2.267 2.324 . 0 0 "[ . 1 . 2]" 2
505 1 46 LYS H 1 46 LYS HB3 . . 4.100 3.613 3.573 3.669 . 0 0 "[ . 1 . 2]" 2
506 1 56 MET QB 1 57 LYS H . . 4.230 2.628 2.571 2.728 . 0 0 "[ . 1 . 2]" 2
507 1 31 TRP HB3 1 32 PHE H . . 4.350 3.528 3.225 3.769 . 0 0 "[ . 1 . 2]" 2
508 1 31 TRP HB3 1 31 TRP HE3 . . 3.830 2.676 2.637 2.692 . 0 0 "[ . 1 . 2]" 2
509 1 31 TRP HB3 1 31 TRP HD1 . . 3.830 3.764 3.754 3.783 . 0 0 "[ . 1 . 2]" 2
510 1 8 TYR QD 1 31 TRP HB2 . . 3.800 3.016 2.805 3.235 . 0 0 "[ . 1 . 2]" 2
511 1 14 VAL H 1 14 VAL HB . . 3.680 3.607 3.599 3.611 . 0 0 "[ . 1 . 2]" 2
512 1 22 CYS QB 1 32 PHE QD . . 4.050 3.228 3.013 3.606 . 0 0 "[ . 1 . 2]" 2
513 1 22 CYS QB 1 32 PHE QE . . 3.150 2.133 1.971 2.449 . 0 0 "[ . 1 . 2]" 2
514 1 22 CYS QB 1 27 CYS HB3 . . 3.840 2.695 2.568 2.856 . 0 0 "[ . 1 . 2]" 2
515 1 22 CYS QB 1 49 CYS HB3 . . 3.710 2.540 2.391 2.654 . 0 0 "[ . 1 . 2]" 2
516 1 28 PRO HB2 1 29 ILE HG13 . . 4.280 3.303 3.157 3.449 . 0 0 "[ . 1 . 2]" 2
517 1 43 PRO HB3 1 44 LYS H . . 4.490 4.290 4.093 4.443 . 0 0 "[ . 1 . 2]" 2
518 1 43 PRO HB3 1 47 TRP HD1 . . 4.120 3.386 3.106 3.821 . 0 0 "[ . 1 . 2]" 2
519 1 43 PRO HB3 1 47 TRP HB2 . . 4.000 2.827 2.472 3.198 . 0 0 "[ . 1 . 2]" 2
520 1 41 GLU HB3 1 42 ALA H . . 3.960 3.779 3.663 3.963 0.003 1 0 "[ . 1 . 2]" 2
521 1 43 PRO HB2 1 47 TRP HB3 . . 4.150 3.844 3.664 4.063 . 0 0 "[ . 1 . 2]" 2
522 1 43 PRO HB2 1 47 TRP HB2 . . 3.880 2.523 2.358 2.751 . 0 0 "[ . 1 . 2]" 2
523 1 5 SER HA 1 5 SER QB . . 2.710 2.345 2.183 2.481 . 0 0 "[ . 1 . 2]" 2
524 1 56 MET HA 1 56 MET HG3 . . 3.410 3.232 2.978 3.351 . 0 0 "[ . 1 . 2]" 2
525 1 6 SER QB 1 7 GLY H . . 4.040 2.860 2.309 3.258 . 0 0 "[ . 1 . 2]" 2
526 1 6 SER QB 1 14 VAL MG1 . . 4.310 2.395 1.951 3.149 . 0 0 "[ . 1 . 2]" 2
527 1 50 PRO HB3 1 51 GLN H . . 4.420 4.384 4.380 4.408 . 0 0 "[ . 1 . 2]" 2
528 1 19 MET HA 1 19 MET HG3 . . 3.990 3.398 3.331 3.738 . 0 0 "[ . 1 . 2]" 2
529 1 19 MET HG3 1 33 HIS HA . . 4.700 4.567 4.311 4.689 . 0 0 "[ . 1 . 2]" 2
530 1 19 MET HA 1 19 MET HG2 . . 3.710 2.357 2.305 2.658 . 0 0 "[ . 1 . 2]" 2
531 1 19 MET HG2 1 33 HIS HA . . 3.790 2.868 2.579 3.596 . 0 0 "[ . 1 . 2]" 2
532 1 13 GLN HB3 1 13 GLN HE21 . . 4.430 3.258 3.031 3.452 . 0 0 "[ . 1 . 2]" 2
533 1 8 TYR QE 1 31 TRP HD1 . . 3.850 3.574 3.343 3.786 . 0 0 "[ . 1 . 2]" 2
534 1 31 TRP HB2 1 31 TRP HD1 . . 3.760 2.609 2.601 2.626 . 0 0 "[ . 1 . 2]" 2
535 1 30 GLU HB2 1 31 TRP HD1 . . 4.360 3.606 2.628 4.380 0.020 7 0 "[ . 1 . 2]" 2
536 1 30 GLU HB3 1 31 TRP HD1 . . 4.360 3.343 2.724 4.300 . 0 0 "[ . 1 . 2]" 2
537 1 15 SER QB 1 19 MET HG3 . . 3.890 3.876 3.520 3.903 0.013 8 0 "[ . 1 . 2]" 2
538 1 15 SER QB 1 19 MET ME . . 4.160 3.589 2.341 4.097 . 0 0 "[ . 1 . 2]" 2
539 1 27 CYS HB2 1 30 GLU H . . 4.220 3.814 3.736 3.887 . 0 0 "[ . 1 . 2]" 2
540 1 22 CYS QB 1 27 CYS HB2 . . 3.800 2.708 2.560 2.904 . 0 0 "[ . 1 . 2]" 2
541 1 27 CYS HB3 1 30 GLU H . . 4.090 2.362 2.263 2.482 . 0 0 "[ . 1 . 2]" 2
542 1 27 CYS HB3 1 30 GLU HA . . 3.560 2.693 2.556 2.839 . 0 0 "[ . 1 . 2]" 2
543 1 27 CYS HB2 1 30 GLU HA . . 3.960 3.833 3.702 3.992 0.032 10 0 "[ . 1 . 2]" 2
544 1 22 CYS QB 1 30 GLU HA . . 3.680 2.063 1.935 2.234 . 0 0 "[ . 1 . 2]" 2
545 1 29 ILE HA 1 29 ILE HG13 . . 3.620 3.083 2.976 3.241 . 0 0 "[ . 1 . 2]" 2
546 1 29 ILE HA 1 29 ILE HG12 . . 3.540 2.669 2.576 2.806 . 0 0 "[ . 1 . 2]" 2
547 1 29 ILE H 1 30 GLU HA . . 4.790 4.423 4.328 4.498 . 0 0 "[ . 1 . 2]" 2
548 1 30 GLU HA 1 30 GLU HG3 . . 3.940 3.068 2.790 3.438 . 0 0 "[ . 1 . 2]" 2
549 1 33 HIS HB2 1 36 CYS HB2 . . 4.020 2.007 1.995 2.055 . 0 0 "[ . 1 . 2]" 2
550 1 33 HIS HB3 1 36 CYS HB2 . . 3.700 3.653 3.520 3.699 . 0 0 "[ . 1 . 2]" 2
551 1 36 CYS H 1 36 CYS HB3 . . 3.710 3.532 3.513 3.559 . 0 0 "[ . 1 . 2]" 2
552 1 36 CYS HB3 1 37 VAL H . . 3.890 3.496 3.367 3.625 . 0 0 "[ . 1 . 2]" 2
553 1 33 HIS HB2 1 36 CYS HB3 . . 3.950 3.645 3.588 3.688 . 0 0 "[ . 1 . 2]" 2
554 1 36 CYS HB3 1 37 VAL MG1 . . 3.810 3.314 3.197 3.490 . 0 0 "[ . 1 . 2]" 2
555 1 49 CYS HB2 1 50 PRO HD2 . . 3.190 1.909 1.892 1.923 . 0 0 "[ . 1 . 2]" 2
556 1 32 PHE QE 1 49 CYS HB2 . . 4.120 3.057 2.915 3.220 . 0 0 "[ . 1 . 2]" 2
557 1 32 PHE QE 1 49 CYS HB3 . . 3.900 2.836 2.499 3.073 . 0 0 "[ . 1 . 2]" 2
558 1 49 CYS HB3 1 50 PRO HD2 . . 3.430 3.494 3.481 3.506 0.076 7 0 "[ . 1 . 2]" 2
559 1 9 CYS H 1 9 CYS HB3 . . 3.530 2.643 2.589 2.719 . 0 0 "[ . 1 . 2]" 2
560 1 9 CYS HB2 1 33 HIS H . . 3.750 3.092 2.832 3.241 . 0 0 "[ . 1 . 2]" 2
561 1 9 CYS HB2 1 32 PHE HA . . 3.540 2.938 2.601 3.189 . 0 0 "[ . 1 . 2]" 2
562 1 9 CYS H 1 9 CYS HB2 . . 3.540 2.443 2.387 2.493 . 0 0 "[ . 1 . 2]" 2
563 1 32 PHE HZ 1 49 CYS HB2 . . 4.050 3.219 2.936 3.392 . 0 0 "[ . 1 . 2]" 2
564 1 8 TYR QD 1 14 VAL HA . . 4.200 3.215 2.804 3.358 . 0 0 "[ . 1 . 2]" 2
565 1 14 VAL HA 1 14 VAL MG1 . . 3.000 2.245 2.163 2.309 . 0 0 "[ . 1 . 2]" 2
566 1 32 PHE HZ 1 49 CYS HB3 . . 3.820 3.557 3.356 3.731 . 0 0 "[ . 1 . 2]" 2
567 1 39 LEU HA 1 40 THR HA . . 4.790 4.463 4.369 4.586 . 0 0 "[ . 1 . 2]" 2
568 1 40 THR HA 1 41 GLU HA . . 5.150 4.541 4.518 4.554 . 0 0 "[ . 1 . 2]" 2
569 1 34 TYR QD 1 40 THR HA . . 4.450 4.279 3.653 4.452 0.002 3 0 "[ . 1 . 2]" 2
570 1 52 CYS H 1 52 CYS HB3 . . 3.660 3.572 3.559 3.583 . 0 0 "[ . 1 . 2]" 2
571 1 52 CYS HB3 1 53 THR H . . 3.880 3.102 2.940 3.171 . 0 0 "[ . 1 . 2]" 2
572 1 48 TYR HB3 1 52 CYS HB3 . . 3.780 3.724 3.600 3.797 0.017 9 0 "[ . 1 . 2]" 2
573 1 48 TYR HB3 1 52 CYS HB2 . . 3.730 3.038 2.979 3.078 . 0 0 "[ . 1 . 2]" 2
574 1 51 GLN HB3 1 52 CYS H . . 4.000 3.533 3.486 3.580 . 0 0 "[ . 1 . 2]" 2
575 1 51 GLN H 1 51 GLN HB3 . . 3.830 3.481 3.461 3.504 . 0 0 "[ . 1 . 2]" 2
576 1 44 LYS HA 1 44 LYS QD . . 4.080 3.275 1.983 4.056 . 0 0 "[ . 1 . 2]" 2
577 1 34 TYR HA 1 34 TYR QD . . 3.390 2.566 2.378 2.781 . 0 0 "[ . 1 . 2]" 2
578 1 34 TYR HA 1 37 VAL MG2 . . 3.290 2.288 2.237 2.468 . 0 0 "[ . 1 . 2]" 2
579 1 20 VAL MG1 1 34 TYR HA . . 4.140 3.545 2.992 3.765 . 0 0 "[ . 1 . 2]" 2
580 1 34 TYR HA 1 39 LEU HB2 . . 3.470 2.472 2.394 2.584 . 0 0 "[ . 1 . 2]" 2
581 1 34 TYR HA 1 39 LEU MD1 . . 3.770 3.213 3.038 3.417 . 0 0 "[ . 1 . 2]" 2
582 1 22 CYS HA 1 47 TRP HE3 . . 3.420 2.718 2.550 2.852 . 0 0 "[ . 1 . 2]" 2
583 1 28 PRO HG2 1 29 ILE HG13 . . 3.480 2.221 2.199 2.256 . 0 0 "[ . 1 . 2]" 2
584 1 28 PRO HG2 1 29 ILE HG12 . . 3.770 3.740 3.555 3.794 0.024 18 0 "[ . 1 . 2]" 2
585 1 25 GLN QB 1 26 ASP H . . 3.970 3.097 2.771 3.674 . 0 0 "[ . 1 . 2]" 2
586 1 10 ILE H 1 10 ILE HG13 . . 3.750 2.748 2.664 2.936 . 0 0 "[ . 1 . 2]" 2
587 1 10 ILE HG13 1 36 CYS HB3 . . 3.590 3.139 2.930 3.221 . 0 0 "[ . 1 . 2]" 2
588 1 10 ILE H 1 10 ILE HG12 . . 3.550 2.010 1.940 2.086 . 0 0 "[ . 1 . 2]" 2
589 1 10 ILE HG12 1 36 CYS HB3 . . 3.650 3.057 2.798 3.196 . 0 0 "[ . 1 . 2]" 2
590 1 51 GLN HA 1 54 ALA H . . 4.140 4.146 4.108 4.198 0.058 20 0 "[ . 1 . 2]" 2
591 1 51 GLN HA 1 51 GLN QG . . 3.390 2.217 2.107 2.297 . 0 0 "[ . 1 . 2]" 2
592 1 24 ASN HD22 1 27 CYS HA . . 4.770 4.692 4.547 4.769 . 0 0 "[ . 1 . 2]" 2
593 1 42 ALA HA 1 43 PRO HG2 . . 4.430 4.251 4.203 4.316 . 0 0 "[ . 1 . 2]" 2
594 1 43 PRO HG2 1 47 TRP HB3 . . 3.990 3.306 3.080 3.607 . 0 0 "[ . 1 . 2]" 2
595 1 43 PRO HG2 1 47 TRP HB2 . . 3.890 3.052 2.822 3.416 . 0 0 "[ . 1 . 2]" 2
596 1 39 LEU MD2 1 43 PRO HG2 . . 4.870 4.616 4.085 4.874 0.004 9 0 "[ . 1 . 2]" 2
597 1 20 VAL MG2 1 43 PRO HG2 . . 3.590 3.251 2.764 3.441 . 0 0 "[ . 1 . 2]" 2
598 1 39 LEU MD1 1 43 PRO HG2 . . 4.440 4.160 3.915 4.444 0.004 14 0 "[ . 1 . 2]" 2
599 1 58 ARG QB 1 58 ARG HG2 . . 2.510 2.398 2.248 2.452 . 0 0 "[ . 1 . 2]" 2
600 1 42 ALA HA 1 43 PRO HG3 . . 4.400 4.327 4.317 4.350 . 0 0 "[ . 1 . 2]" 2
601 1 43 PRO HG3 1 47 TRP HB2 . . 4.100 2.350 2.119 2.613 . 0 0 "[ . 1 . 2]" 2
602 1 20 VAL MG2 1 43 PRO HG3 . . 3.780 2.624 2.310 2.851 . 0 0 "[ . 1 . 2]" 2
603 1 39 LEU MD1 1 43 PRO HG3 . . 3.720 2.740 2.456 3.047 . 0 0 "[ . 1 . 2]" 2
604 1 43 PRO HG3 1 47 TRP HD1 . . 4.370 3.759 3.527 4.106 . 0 0 "[ . 1 . 2]" 2
605 1 58 ARG QB 1 58 ARG HG3 . . 2.510 2.286 2.230 2.435 . 0 0 "[ . 1 . 2]" 2
606 1 9 CYS HA 1 32 PHE HA . . 3.880 2.778 2.511 2.914 . 0 0 "[ . 1 . 2]" 2
607 1 66 GLY QA 1 67 PRO QG . . 4.160 3.684 3.641 3.883 . 0 0 "[ . 1 . 2]" 2
608 1 23 ASP H 1 47 TRP HE3 . . 4.280 3.287 2.946 3.613 . 0 0 "[ . 1 . 2]" 2
609 1 47 TRP HB3 1 47 TRP HE3 . . 3.730 2.570 2.523 2.626 . 0 0 "[ . 1 . 2]" 2
610 1 28 PRO HG3 1 29 ILE H . . 4.380 4.163 4.076 4.281 . 0 0 "[ . 1 . 2]" 2
611 1 28 PRO HG3 1 29 ILE HG13 . . 4.130 3.967 3.940 4.000 . 0 0 "[ . 1 . 2]" 2
612 1 47 TRP HA 1 47 TRP HD1 . . 3.950 3.211 3.111 3.327 . 0 0 "[ . 1 . 2]" 2
613 1 32 PHE QD 1 47 TRP HH2 . . 4.350 2.997 2.743 3.277 . 0 0 "[ . 1 . 2]" 2
614 1 47 TRP HH2 1 49 CYS HA . . 3.620 2.483 2.306 2.820 . 0 0 "[ . 1 . 2]" 2
615 1 32 PHE HB2 1 47 TRP HH2 . . 3.990 2.356 2.206 2.584 . 0 0 "[ . 1 . 2]" 2
616 1 47 TRP HH2 1 49 CYS HB2 . . 4.140 2.943 2.771 3.162 . 0 0 "[ . 1 . 2]" 2
617 1 47 TRP HH2 1 49 CYS HB3 . . 4.120 2.841 2.622 3.043 . 0 0 "[ . 1 . 2]" 2
618 1 37 VAL MG2 1 47 TRP HH2 . . 3.960 3.862 3.690 3.964 0.004 11 0 "[ . 1 . 2]" 2
619 1 25 GLN HA 1 25 GLN QG . . 3.700 2.710 2.198 3.450 . 0 0 "[ . 1 . 2]" 2
620 1 56 MET HA 1 56 MET HG2 . . 3.330 2.461 2.380 2.738 . 0 0 "[ . 1 . 2]" 2
621 1 55 ALA MB 1 56 MET HA . . 3.990 3.721 3.637 3.830 . 0 0 "[ . 1 . 2]" 2
622 1 57 LYS HA 1 57 LYS QD . . 3.980 3.805 3.641 3.933 . 0 0 "[ . 1 . 2]" 2
623 1 57 LYS HA 1 57 LYS HG2 . . 3.520 2.255 2.187 2.354 . 0 0 "[ . 1 . 2]" 2
624 1 57 LYS HA 1 57 LYS HG3 . . 3.520 3.015 2.848 3.211 . 0 0 "[ . 1 . 2]" 2
625 1 16 TYR HA 1 16 TYR QD . . 4.170 3.721 3.676 3.738 . 0 0 "[ . 1 . 2]" 2
626 1 47 TRP HZ2 1 49 CYS HA . . 3.920 2.770 2.546 3.002 . 0 0 "[ . 1 . 2]" 2
627 1 49 CYS HA 1 50 PRO HD2 . . 2.510 2.435 2.427 2.444 . 0 0 "[ . 1 . 2]" 2
628 1 34 TYR QD 1 39 LEU MD1 . . 4.300 3.733 3.553 3.886 . 0 0 "[ . 1 . 2]" 2
629 1 39 LEU MD1 1 43 PRO HD3 . . 4.050 2.436 2.122 2.715 . 0 0 "[ . 1 . 2]" 2
630 1 39 LEU HB2 1 39 LEU MD1 . . 3.320 2.283 2.164 2.336 . 0 0 "[ . 1 . 2]" 2
631 1 37 VAL MG2 1 39 LEU MD1 . . 3.060 2.002 1.918 2.250 . 0 0 "[ . 1 . 2]" 2
632 1 58 ARG HA 1 58 ARG QD . . 4.440 3.956 3.791 4.144 . 0 0 "[ . 1 . 2]" 2
633 1 59 ARG HA 1 59 ARG QD . . 4.730 3.950 2.952 4.362 . 0 0 "[ . 1 . 2]" 2
634 1 58 ARG HA 1 58 ARG HG2 . . 3.210 2.366 2.231 2.727 . 0 0 "[ . 1 . 2]" 2
635 1 58 ARG HA 1 58 ARG HG3 . . 3.210 3.064 2.783 3.214 0.004 1 0 "[ . 1 . 2]" 2
636 1 18 GLU HA 1 19 MET H . . 2.800 2.146 2.140 2.162 . 0 0 "[ . 1 . 2]" 2
637 1 18 GLU HA 1 18 GLU HG3 . . 3.740 3.068 2.446 3.610 . 0 0 "[ . 1 . 2]" 2
638 1 22 CYS HA 1 47 TRP HZ3 . . 3.890 2.382 2.175 2.704 . 0 0 "[ . 1 . 2]" 2
639 1 22 CYS QB 1 47 TRP HZ3 . . 3.700 2.956 2.680 3.126 . 0 0 "[ . 1 . 2]" 2
640 1 62 ARG HA 1 62 ARG QG . . 3.220 2.572 2.131 3.383 0.163 18 0 "[ . 1 . 2]" 2
641 1 9 CYS HB3 1 32 PHE HA . . 4.550 4.351 4.116 4.510 . 0 0 "[ . 1 . 2]" 2
642 1 44 LYS HA 1 44 LYS HG2 . . 3.710 2.661 2.175 3.544 . 0 0 "[ . 1 . 2]" 2
643 1 44 LYS HA 1 44 LYS HG3 . . 3.710 3.015 2.163 3.716 0.006 7 0 "[ . 1 . 2]" 2
644 1 46 LYS HA 1 46 LYS HG2 . . 3.660 2.698 2.576 2.824 . 0 0 "[ . 1 . 2]" 2
645 1 19 MET HB3 1 31 TRP HE3 . . 4.130 2.007 1.989 2.059 . 0 0 "[ . 1 . 2]" 2
646 1 31 TRP HA 1 32 PHE QD . . 3.900 3.159 2.896 3.408 . 0 0 "[ . 1 . 2]" 2
647 1 31 TRP HA 1 31 TRP HE3 . . 3.680 2.895 2.857 2.987 . 0 0 "[ . 1 . 2]" 2
648 1 21 GLY HA2 1 31 TRP HA . . 3.740 2.467 2.315 2.586 . 0 0 "[ . 1 . 2]" 2
649 1 32 PHE HA 1 32 PHE QD . . 4.040 3.176 3.113 3.223 . 0 0 "[ . 1 . 2]" 2
650 1 19 MET HB2 1 31 TRP HE3 . . 4.070 2.306 2.087 2.473 . 0 0 "[ . 1 . 2]" 2
651 1 55 ALA HA 1 58 ARG QB . . 3.770 2.938 2.664 3.186 . 0 0 "[ . 1 . 2]" 2
652 1 54 ALA HA 1 57 LYS H . . 3.770 3.784 3.740 3.799 0.029 17 0 "[ . 1 . 2]" 2
653 1 54 ALA HA 1 57 LYS QD . . 4.550 4.095 2.997 4.560 0.010 12 0 "[ . 1 . 2]" 2
654 1 53 THR MG 1 54 ALA HA . . 4.150 3.701 2.960 3.844 . 0 0 "[ . 1 . 2]" 2
655 1 33 HIS HA 1 33 HIS HD2 . . 4.190 2.469 2.424 2.564 . 0 0 "[ . 1 . 2]" 2
656 1 19 MET HG2 1 33 HIS HD2 . . 4.310 2.057 1.992 3.004 . 0 0 "[ . 1 . 2]" 2
657 1 39 LEU H 1 39 LEU MD2 . . 4.360 4.228 4.156 4.302 . 0 0 "[ . 1 . 2]" 2
658 1 39 LEU MD2 1 43 PRO HB3 . . 4.390 2.653 2.306 2.919 . 0 0 "[ . 1 . 2]" 2
659 1 39 LEU MD2 1 47 TRP HE1 . . 3.680 3.302 3.133 3.538 . 0 0 "[ . 1 . 2]" 2
660 1 39 LEU MD2 1 47 TRP HD1 . . 4.050 2.810 2.420 3.252 . 0 0 "[ . 1 . 2]" 2
661 1 39 LEU HA 1 39 LEU MD2 . . 3.060 2.038 1.974 2.225 . 0 0 "[ . 1 . 2]" 2
662 1 39 LEU MD2 1 43 PRO HA . . 4.510 3.705 3.262 4.084 . 0 0 "[ . 1 . 2]" 2
663 1 39 LEU MD2 1 43 PRO HG3 . . 3.720 3.385 2.879 3.641 . 0 0 "[ . 1 . 2]" 2
664 1 32 PHE QD 1 37 VAL MG1 . . 3.360 2.992 2.842 3.120 . 0 0 "[ . 1 . 2]" 2
665 1 36 CYS H 1 37 VAL MG1 . . 4.180 4.032 3.944 4.139 . 0 0 "[ . 1 . 2]" 2
666 1 37 VAL MG1 1 47 TRP HH2 . . 3.590 2.435 2.289 2.610 . 0 0 "[ . 1 . 2]" 2
667 1 37 VAL MG1 1 50 PRO HD3 . . 3.520 2.687 2.507 2.907 . 0 0 "[ . 1 . 2]" 2
668 1 37 VAL MG1 1 50 PRO HD2 . . 3.450 2.977 2.740 3.157 . 0 0 "[ . 1 . 2]" 2
669 1 32 PHE HB3 1 37 VAL MG1 . . 3.180 2.056 1.941 2.154 . 0 0 "[ . 1 . 2]" 2
670 1 32 PHE HB2 1 37 VAL MG1 . . 3.230 2.248 2.152 2.339 . 0 0 "[ . 1 . 2]" 2
671 1 10 ILE MG 1 37 VAL MG1 . . 4.440 3.971 3.824 4.107 . 0 0 "[ . 1 . 2]" 2
672 1 23 ASP H 1 48 TYR HA . . 3.810 3.169 2.873 3.380 . 0 0 "[ . 1 . 2]" 2
673 1 48 TYR HA 1 48 TYR QD . . 3.830 2.795 2.514 3.054 . 0 0 "[ . 1 . 2]" 2
674 1 22 CYS HA 1 48 TYR HA . . 3.960 3.589 3.411 3.801 . 0 0 "[ . 1 . 2]" 2
675 1 41 GLU HA 1 41 GLU HG2 . . 3.680 3.612 3.572 3.639 . 0 0 "[ . 1 . 2]" 2
676 1 41 GLU HA 1 42 ALA MB . . 4.370 4.196 4.106 4.279 . 0 0 "[ . 1 . 2]" 2
677 1 39 LEU HA 1 39 LEU HG . . 3.810 2.830 2.714 2.905 . 0 0 "[ . 1 . 2]" 2
678 1 39 LEU HA 1 40 THR MG . . 4.170 3.836 3.658 4.002 . 0 0 "[ . 1 . 2]" 2
679 1 40 THR HA 1 40 THR MG . . 3.050 2.395 2.312 2.421 . 0 0 "[ . 1 . 2]" 2
680 1 34 TYR QE 1 41 GLU HA . . 3.760 3.074 2.385 3.324 . 0 0 "[ . 1 . 2]" 2
681 1 34 TYR QE 1 42 ALA HA . . 4.390 2.977 2.463 3.415 . 0 0 "[ . 1 . 2]" 2
682 1 34 TYR HA 1 34 TYR QE . . 4.490 4.396 4.313 4.490 0.000 12 0 "[ . 1 . 2]" 2
683 1 20 VAL HB 1 34 TYR QE . . 3.090 2.248 1.997 2.647 . 0 0 "[ . 1 . 2]" 2
684 1 34 TYR QE 1 39 LEU HB2 . . 5.370 4.419 4.291 4.553 . 0 0 "[ . 1 . 2]" 2
685 1 20 VAL MG2 1 34 TYR QE . . 4.110 3.755 3.555 4.014 . 0 0 "[ . 1 . 2]" 2
686 1 34 TYR QE 1 39 LEU MD1 . . 4.420 3.762 3.569 3.946 . 0 0 "[ . 1 . 2]" 2
687 1 18 GLU HB3 1 34 TYR QE . . 4.520 3.326 3.036 3.563 . 0 0 "[ . 1 . 2]" 2
688 1 24 ASN HA 1 48 TYR QE . . 3.970 3.851 3.385 3.983 0.013 20 0 "[ . 1 . 2]" 2
689 1 24 ASN HB2 1 48 TYR QE . . 3.950 3.136 2.926 3.386 . 0 0 "[ . 1 . 2]" 2
690 1 23 ASP HB2 1 48 TYR QE . . 3.960 3.510 2.488 3.960 . 0 0 "[ . 1 . 2]" 2
691 1 23 ASP HB3 1 48 TYR QE . . 3.960 2.374 2.147 2.585 . 0 0 "[ . 1 . 2]" 2
692 1 46 LYS HB2 1 48 TYR QE . . 3.890 3.077 2.581 3.583 . 0 0 "[ . 1 . 2]" 2
693 1 46 LYS HB3 1 48 TYR QE . . 3.610 2.667 2.187 3.210 . 0 0 "[ . 1 . 2]" 2
694 1 13 GLN HB3 1 16 TYR QE . . 3.720 2.893 2.513 3.100 . 0 0 "[ . 1 . 2]" 2
695 1 13 GLN HB2 1 16 TYR QE . . 4.050 3.553 3.331 3.845 . 0 0 "[ . 1 . 2]" 2
696 1 19 MET HA 1 34 TYR QD . . 4.040 2.824 2.657 2.978 . 0 0 "[ . 1 . 2]" 2
697 1 19 MET HA 1 34 TYR H . . 4.060 3.722 3.596 3.833 . 0 0 "[ . 1 . 2]" 2
698 1 19 MET HA 1 33 HIS HA . . 3.690 2.814 2.699 3.003 . 0 0 "[ . 1 . 2]" 2
699 1 14 VAL H 1 14 VAL MG1 . . 3.190 2.319 2.250 2.457 . 0 0 "[ . 1 . 2]" 2
700 1 20 VAL H 1 20 VAL MG2 . . 4.550 3.821 3.726 3.866 . 0 0 "[ . 1 . 2]" 2
701 1 20 VAL MG2 1 47 TRP HE3 . . 3.730 2.348 2.144 2.606 . 0 0 "[ . 1 . 2]" 2
702 1 20 VAL MG2 1 47 TRP HZ3 . . 4.650 3.179 2.935 3.484 . 0 0 "[ . 1 . 2]" 2
703 1 20 VAL MG2 1 47 TRP HB3 . . 3.850 2.835 2.551 3.004 . 0 0 "[ . 1 . 2]" 2
704 1 20 VAL MG2 1 47 TRP HB2 . . 4.530 3.750 3.518 3.945 . 0 0 "[ . 1 . 2]" 2
705 1 20 VAL MG2 1 39 LEU MD2 . . 4.790 4.412 4.110 4.668 . 0 0 "[ . 1 . 2]" 2
706 1 20 VAL MG2 1 39 LEU MD1 . . 3.510 2.793 2.555 3.023 . 0 0 "[ . 1 . 2]" 2
707 1 53 THR MG 1 54 ALA H . . 3.880 3.627 1.936 3.802 . 0 0 "[ . 1 . 2]" 2
708 1 53 THR HA 1 53 THR MG . . 3.140 2.404 2.297 3.144 0.004 20 0 "[ . 1 . 2]" 2
709 1 48 TYR HB3 1 53 THR MG . . 4.820 4.770 4.651 4.832 0.012 18 0 "[ . 1 . 2]" 2
710 1 48 TYR HB2 1 53 THR MG . . 4.460 4.163 3.935 4.521 0.061 20 0 "[ . 1 . 2]" 2
711 1 53 THR MG 1 57 LYS QD . . 3.750 3.294 2.699 3.679 . 0 0 "[ . 1 . 2]" 2
712 1 53 THR MG 1 56 MET ME . . 4.650 3.709 3.082 4.448 . 0 0 "[ . 1 . 2]" 2
713 1 27 CYS HA 1 28 PRO HD2 . . 2.970 2.127 2.122 2.140 . 0 0 "[ . 1 . 2]" 2
714 1 27 CYS HB2 1 28 PRO HD2 . . 4.350 3.952 3.912 3.999 . 0 0 "[ . 1 . 2]" 2
715 1 27 CYS HA 1 28 PRO HD3 . . 2.980 2.255 2.253 2.256 . 0 0 "[ . 1 . 2]" 2
716 1 10 ILE H 1 10 ILE MG . . 3.560 2.459 2.250 2.596 . 0 0 "[ . 1 . 2]" 2
717 1 10 ILE MG 1 32 PHE HZ . . 4.820 3.907 3.727 4.081 . 0 0 "[ . 1 . 2]" 2
718 1 10 ILE MG 1 32 PHE QD . . 3.590 2.283 1.980 2.480 . 0 0 "[ . 1 . 2]" 2
719 1 10 ILE MG 1 32 PHE QE . . 3.240 1.914 1.836 2.040 . 0 0 "[ . 1 . 2]" 2
720 1 10 ILE HA 1 10 ILE MG . . 3.060 2.204 2.114 2.277 . 0 0 "[ . 1 . 2]" 2
721 1 10 ILE MG 1 36 CYS HB3 . . 4.740 4.661 4.385 4.747 0.007 11 0 "[ . 1 . 2]" 2
722 1 10 ILE HG13 1 10 ILE MG . . 3.410 3.180 3.168 3.192 . 0 0 "[ . 1 . 2]" 2
723 1 10 ILE HG12 1 10 ILE MG . . 3.150 2.250 2.179 2.336 . 0 0 "[ . 1 . 2]" 2
724 1 39 LEU MD1 1 42 ALA HA . . 4.440 4.057 3.803 4.245 . 0 0 "[ . 1 . 2]" 2
725 1 14 VAL MG2 1 15 SER H . . 4.230 3.695 3.530 3.905 . 0 0 "[ . 1 . 2]" 2
726 1 14 VAL HA 1 14 VAL MG2 . . 3.710 3.180 3.172 3.184 . 0 0 "[ . 1 . 2]" 2
727 1 52 CYS HA 1 55 ALA MB . . 2.920 2.739 2.534 2.921 0.001 19 0 "[ . 1 . 2]" 2
728 1 55 ALA MB 1 56 MET HG3 . . 4.070 3.476 3.141 3.673 . 0 0 "[ . 1 . 2]" 2
729 1 55 ALA MB 1 56 MET HG2 . . 4.190 3.936 3.750 4.187 . 0 0 "[ . 1 . 2]" 2
730 1 55 ALA MB 1 58 ARG QB . . 4.300 4.099 3.947 4.286 . 0 0 "[ . 1 . 2]" 2
731 1 29 ILE MG 1 31 TRP H . . 3.250 2.038 1.899 2.249 . 0 0 "[ . 1 . 2]" 2
732 1 29 ILE MG 1 32 PHE QD . . 4.360 3.611 3.272 3.904 . 0 0 "[ . 1 . 2]" 2
733 1 29 ILE MG 1 32 PHE QE . . 3.650 3.331 3.020 3.640 . 0 0 "[ . 1 . 2]" 2
734 1 29 ILE HA 1 29 ILE MG . . 3.240 2.294 2.208 2.354 . 0 0 "[ . 1 . 2]" 2
735 1 9 CYS HA 1 29 ILE MG . . 3.220 2.332 2.247 2.459 . 0 0 "[ . 1 . 2]" 2
736 1 8 TYR HB3 1 29 ILE MG . . 4.570 2.446 2.234 2.779 . 0 0 "[ . 1 . 2]" 2
737 1 9 CYS HB2 1 29 ILE MG . . 4.520 4.207 4.089 4.369 . 0 0 "[ . 1 . 2]" 2
738 1 29 ILE HG13 1 29 ILE MG . . 3.540 3.196 3.181 3.203 . 0 0 "[ . 1 . 2]" 2
739 1 10 ILE MG 1 29 ILE MG . . 4.010 3.929 3.693 4.025 0.015 13 0 "[ . 1 . 2]" 2
740 1 29 ILE HG12 1 29 ILE MG . . 3.330 2.360 2.279 2.435 . 0 0 "[ . 1 . 2]" 2
741 1 29 ILE MG 1 30 GLU H . . 4.090 3.428 3.352 3.551 . 0 0 "[ . 1 . 2]" 2
742 1 50 PRO HD3 1 51 GLN H . . 4.480 3.926 3.922 3.944 . 0 0 "[ . 1 . 2]" 2
743 1 42 ALA HA 1 43 PRO HD2 . . 2.980 2.072 2.012 2.154 . 0 0 "[ . 1 . 2]" 2
744 1 20 VAL MG2 1 43 PRO HD2 . . 4.090 3.223 2.972 3.458 . 0 0 "[ . 1 . 2]" 2
745 1 39 LEU MD1 1 43 PRO HD2 . . 4.050 3.736 3.507 3.954 . 0 0 "[ . 1 . 2]" 2
746 1 42 ALA HA 1 43 PRO HD3 . . 2.980 2.272 2.254 2.298 . 0 0 "[ . 1 . 2]" 2
747 1 42 ALA MB 1 43 PRO HD3 . . 3.850 3.723 3.611 3.822 . 0 0 "[ . 1 . 2]" 2
748 1 20 VAL MG2 1 43 PRO HD3 . . 4.090 3.392 3.062 3.651 . 0 0 "[ . 1 . 2]" 2
749 1 36 CYS H 1 37 VAL MG2 . . 3.920 3.832 3.673 3.922 0.002 15 0 "[ . 1 . 2]" 2
750 1 37 VAL MG2 1 47 TRP HZ2 . . 3.240 2.650 2.334 2.908 . 0 0 "[ . 1 . 2]" 2
751 1 33 HIS HB2 1 37 VAL MG2 . . 5.470 4.824 4.709 4.926 . 0 0 "[ . 1 . 2]" 2
752 1 37 VAL MG2 1 50 PRO HD3 . . 5.500 4.576 4.289 4.742 . 0 0 "[ . 1 . 2]" 2
753 1 32 PHE HB3 1 37 VAL MG2 . . 3.960 3.806 3.550 3.972 0.012 10 0 "[ . 1 . 2]" 2
754 1 37 VAL MG2 1 39 LEU MD2 . . 4.260 3.594 3.486 3.735 . 0 0 "[ . 1 . 2]" 2
755 1 20 VAL H 1 20 VAL MG1 . . 3.150 1.909 1.832 1.993 . 0 0 "[ . 1 . 2]" 2
756 1 20 VAL MG1 1 32 PHE QD . . 3.900 3.478 3.270 3.680 . 0 0 "[ . 1 . 2]" 2
757 1 20 VAL MG1 1 47 TRP HE3 . . 4.050 3.368 3.051 3.997 . 0 0 "[ . 1 . 2]" 2
758 1 20 VAL MG1 1 47 TRP HZ2 . . 4.250 3.435 3.096 3.698 . 0 0 "[ . 1 . 2]" 2
759 1 20 VAL MG1 1 34 TYR QD . . 3.810 3.174 2.606 3.721 . 0 0 "[ . 1 . 2]" 2
760 1 20 VAL MG1 1 34 TYR QE . . 3.740 3.153 2.559 3.637 . 0 0 "[ . 1 . 2]" 2
761 1 20 VAL MG1 1 47 TRP HZ3 . . 4.080 2.789 2.458 3.603 . 0 0 "[ . 1 . 2]" 2
762 1 20 VAL MG1 1 47 TRP HH2 . . 4.110 2.942 2.714 3.391 . 0 0 "[ . 1 . 2]" 2
763 1 19 MET HA 1 20 VAL MG1 . . 3.980 3.672 3.407 3.828 . 0 0 "[ . 1 . 2]" 2
764 1 20 VAL MG1 1 32 PHE HB3 . . 3.960 3.809 3.570 3.964 0.004 10 0 "[ . 1 . 2]" 2
765 1 20 VAL MG1 1 32 PHE HB2 . . 3.220 2.527 2.333 2.677 . 0 0 "[ . 1 . 2]" 2
766 1 20 VAL MG1 1 37 VAL MG1 . . 3.860 3.013 2.817 3.141 . 0 0 "[ . 1 . 2]" 2
767 1 20 VAL MG1 1 39 LEU HB2 . . 4.450 4.032 3.757 4.346 . 0 0 "[ . 1 . 2]" 2
768 1 20 VAL MG1 1 37 VAL MG2 . . 3.260 2.469 2.248 2.631 . 0 0 "[ . 1 . 2]" 2
769 1 20 VAL MG1 1 39 LEU MD2 . . 4.690 4.471 4.210 4.695 0.005 11 0 "[ . 1 . 2]" 2
770 1 20 VAL MG1 1 39 LEU MD1 . . 2.720 2.140 1.883 2.434 . 0 0 "[ . 1 . 2]" 2
771 1 53 THR MG 1 54 ALA MB . . 4.500 4.236 2.731 4.414 . 0 0 "[ . 1 . 2]" 2
772 1 51 GLN HA 1 54 ALA MB . . 3.260 3.153 3.120 3.296 0.036 20 0 "[ . 1 . 2]" 2
773 1 42 ALA MB 1 43 PRO HD2 . . 3.850 2.708 2.543 2.906 . 0 0 "[ . 1 . 2]" 2
774 1 34 TYR QE 1 42 ALA MB . . 4.270 3.508 3.139 3.996 . 0 0 "[ . 1 . 2]" 2
775 1 41 GLU HB2 1 42 ALA MB . . 4.200 3.911 3.778 4.018 . 0 0 "[ . 1 . 2]" 2
776 1 47 TRP HZ2 1 50 PRO HD2 . . 4.140 3.745 3.501 3.962 . 0 0 "[ . 1 . 2]" 2
777 1 37 VAL HB 1 47 TRP HZ2 . . 3.330 2.078 1.998 2.193 . 0 0 "[ . 1 . 2]" 2
778 1 37 VAL MG1 1 47 TRP HZ2 . . 3.510 2.139 1.930 2.293 . 0 0 "[ . 1 . 2]" 2
779 1 47 TRP HZ2 1 50 PRO HD3 . . 4.440 2.742 2.402 3.095 . 0 0 "[ . 1 . 2]" 2
780 1 48 TYR QD 1 56 MET ME . . 4.110 3.174 2.581 4.085 . 0 0 "[ . 1 . 2]" 2
781 1 48 TYR QE 1 56 MET ME . . 4.120 3.837 3.590 4.124 0.004 6 0 "[ . 1 . 2]" 2
782 1 56 MET ME 1 56 MET HG3 . . 3.620 2.438 2.159 3.390 . 0 0 "[ . 1 . 2]" 2
783 1 56 MET ME 1 56 MET HG2 . . 3.480 3.277 2.640 3.400 . 0 0 "[ . 1 . 2]" 2
784 1 56 MET QB 1 56 MET ME . . 3.230 2.300 1.903 2.619 . 0 0 "[ . 1 . 2]" 2
785 1 10 ILE HA 1 12 ASN H . . 4.960 3.381 3.349 3.417 . 0 0 "[ . 1 . 2]" 2
786 1 10 ILE HG13 1 32 PHE QE . . 5.500 5.411 5.226 5.561 0.061 13 0 "[ . 1 . 2]" 2
787 1 10 ILE HG12 1 32 PHE QE . . 4.700 4.010 3.776 4.256 . 0 0 "[ . 1 . 2]" 2
788 1 10 ILE HG13 1 32 PHE QD . . 4.550 4.275 4.082 4.455 . 0 0 "[ . 1 . 2]" 2
789 1 10 ILE HG12 1 32 PHE QD . . 4.310 2.556 2.381 2.763 . 0 0 "[ . 1 . 2]" 2
790 1 10 ILE HG13 1 11 CYS HA . . 4.700 3.793 3.629 3.892 . 0 0 "[ . 1 . 2]" 2
791 1 10 ILE HG12 1 11 CYS HA . . 5.500 5.425 5.240 5.506 0.006 20 0 "[ . 1 . 2]" 2
792 1 10 ILE MG 1 50 PRO HD3 . . 5.190 4.920 4.779 5.131 . 0 0 "[ . 1 . 2]" 2
793 1 9 CYS HA 1 10 ILE MG . . 4.730 4.044 3.903 4.145 . 0 0 "[ . 1 . 2]" 2
794 1 10 ILE MG 1 50 PRO HB2 . . 5.120 4.804 4.434 5.124 0.004 6 0 "[ . 1 . 2]" 2
795 1 10 ILE MG 1 51 GLN HE22 . . 5.320 3.989 3.670 4.353 . 0 0 "[ . 1 . 2]" 2
796 1 10 ILE MD 1 33 HIS HB2 . . 5.410 5.356 5.253 5.417 0.007 11 0 "[ . 1 . 2]" 2
797 1 10 ILE MD 1 11 CYS HA . . 5.500 4.617 4.413 4.768 . 0 0 "[ . 1 . 2]" 2
798 1 10 ILE MD 1 37 VAL HA . . 5.500 3.928 3.815 4.024 . 0 0 "[ . 1 . 2]" 2
799 1 9 CYS HA 1 32 PHE HB3 . . 5.010 4.455 4.178 4.694 . 0 0 "[ . 1 . 2]" 2
800 1 9 CYS HA 1 32 PHE QE . . 4.910 4.506 4.270 4.677 . 0 0 "[ . 1 . 2]" 2
801 1 9 CYS HB3 1 13 GLN H . . 4.550 2.897 2.842 2.938 . 0 0 "[ . 1 . 2]" 2
802 1 9 CYS HB3 1 10 ILE H . . 4.240 3.589 3.511 3.648 . 0 0 "[ . 1 . 2]" 2
803 1 8 TYR HB3 1 9 CYS HB2 . . 4.610 4.474 4.302 4.572 . 0 0 "[ . 1 . 2]" 2
804 1 9 CYS HB2 1 13 GLN H . . 4.710 4.340 4.278 4.404 . 0 0 "[ . 1 . 2]" 2
805 1 9 CYS HB2 1 10 ILE H . . 4.400 3.813 3.782 3.831 . 0 0 "[ . 1 . 2]" 2
806 1 9 CYS HB2 1 32 PHE HB3 . . 5.280 4.958 4.570 5.277 . 0 0 "[ . 1 . 2]" 2
807 1 8 TYR HB3 1 9 CYS HA . . 4.450 3.877 3.817 3.918 . 0 0 "[ . 1 . 2]" 2
808 1 23 ASP HB2 1 48 TYR QD . . 4.810 3.854 2.628 4.469 . 0 0 "[ . 1 . 2]" 2
809 1 7 GLY HA2 1 8 TYR HB2 . . 4.970 4.395 4.208 4.509 . 0 0 "[ . 1 . 2]" 2
810 1 8 TYR HB2 1 9 CYS HA . . 5.500 4.601 4.529 4.691 . 0 0 "[ . 1 . 2]" 2
811 1 8 TYR QD 1 29 ILE MG . . 4.970 2.796 2.601 2.959 . 0 0 "[ . 1 . 2]" 2
812 1 8 TYR QD 1 14 VAL MG1 . . 4.780 4.440 4.003 4.598 . 0 0 "[ . 1 . 2]" 2
813 1 8 TYR QD 1 31 TRP HB3 . . 4.850 4.488 4.207 4.734 . 0 0 "[ . 1 . 2]" 2
814 1 7 GLY HA2 1 8 TYR QD . . 4.410 4.012 3.560 4.423 0.013 6 0 "[ . 1 . 2]" 2
815 1 8 TYR QD 1 9 CYS H . . 4.550 4.218 4.165 4.253 . 0 0 "[ . 1 . 2]" 2
816 1 8 TYR QE 1 14 VAL MG1 . . 5.250 5.115 4.726 5.251 0.001 8 0 "[ . 1 . 2]" 2
817 1 8 TYR QE 1 31 TRP HB2 . . 5.390 4.830 4.608 5.074 . 0 0 "[ . 1 . 2]" 2
818 1 7 GLY HA3 1 14 VAL MG1 . . 5.470 5.231 4.960 5.438 . 0 0 "[ . 1 . 2]" 2
819 1 7 GLY HA2 1 14 VAL MG1 . . 5.190 4.147 3.749 4.488 . 0 0 "[ . 1 . 2]" 2
820 1 7 GLY HA3 1 14 VAL HA . . 5.390 5.200 4.841 5.382 . 0 0 "[ . 1 . 2]" 2
821 1 7 GLY HA3 1 8 TYR HA . . 4.820 4.546 4.443 4.596 . 0 0 "[ . 1 . 2]" 2
822 1 7 GLY HA2 1 8 TYR HA . . 4.450 4.399 4.382 4.417 . 0 0 "[ . 1 . 2]" 2
823 1 6 SER HA 1 14 VAL MG1 . . 5.200 4.553 4.276 5.159 . 0 0 "[ . 1 . 2]" 2
824 1 6 SER QB 1 14 VAL HB . . 5.150 4.418 3.896 4.999 . 0 0 "[ . 1 . 2]" 2
825 1 6 SER QB 1 8 TYR QE . . 4.720 3.614 1.896 4.446 . 0 0 "[ . 1 . 2]" 2
826 1 6 SER QB 1 8 TYR QD . . 5.380 3.626 2.091 4.326 . 0 0 "[ . 1 . 2]" 2
827 1 10 ILE HG13 1 11 CYS HB2 . . 4.980 4.830 4.733 4.926 . 0 0 "[ . 1 . 2]" 2
828 1 10 ILE HG13 1 11 CYS HB3 . . 4.980 3.277 3.188 3.360 . 0 0 "[ . 1 . 2]" 2
829 1 11 CYS HB3 1 12 ASN H . . 4.770 4.482 4.456 4.506 . 0 0 "[ . 1 . 2]" 2
830 1 12 ASN HA 1 13 GLN HG2 . . 5.000 4.636 4.566 4.728 . 0 0 "[ . 1 . 2]" 2
831 1 7 GLY HA2 1 12 ASN HA . . 4.480 3.333 2.997 3.856 . 0 0 "[ . 1 . 2]" 2
832 1 11 CYS H 1 12 ASN HA . . 4.910 4.762 4.684 4.835 . 0 0 "[ . 1 . 2]" 2
833 1 8 TYR H 1 12 ASN HA . . 3.890 3.691 3.473 3.854 . 0 0 "[ . 1 . 2]" 2
834 1 13 GLN HG3 1 14 VAL MG2 . . 5.500 5.291 5.237 5.365 . 0 0 "[ . 1 . 2]" 2
835 1 13 GLN HG3 1 14 VAL H . . 5.340 4.982 4.919 5.070 . 0 0 "[ . 1 . 2]" 2
836 1 13 GLN HG2 1 14 VAL H . . 4.880 4.587 4.534 4.638 . 0 0 "[ . 1 . 2]" 2
837 1 7 GLY HA2 1 14 VAL HA . . 4.040 3.600 3.092 4.051 0.011 15 0 "[ . 1 . 2]" 2
838 1 8 TYR QE 1 14 VAL HA . . 5.220 4.841 4.580 4.972 . 0 0 "[ . 1 . 2]" 2
839 1 14 VAL HB 1 15 SER QB . . 5.090 4.657 4.266 4.927 . 0 0 "[ . 1 . 2]" 2
840 1 14 VAL MG1 1 16 TYR QD . . 5.500 4.644 4.511 5.019 . 0 0 "[ . 1 . 2]" 2
841 1 13 GLN HE21 1 14 VAL MG2 . . 5.180 4.730 4.396 5.016 . 0 0 "[ . 1 . 2]" 2
842 1 6 SER QB 1 14 VAL MG2 . . 5.170 4.766 4.370 5.183 0.013 7 0 "[ . 1 . 2]" 2
843 1 14 VAL MG2 1 15 SER HA . . 5.260 4.464 4.385 4.630 . 0 0 "[ . 1 . 2]" 2
844 1 15 SER HA 1 19 MET HG3 . . 4.660 4.029 3.283 4.154 . 0 0 "[ . 1 . 2]" 2
845 1 15 SER HA 1 33 HIS HD2 . . 4.400 4.128 3.824 4.378 . 0 0 "[ . 1 . 2]" 2
846 1 14 VAL MG1 1 15 SER QB . . 5.500 5.287 4.941 5.474 . 0 0 "[ . 1 . 2]" 2
847 1 14 VAL MG2 1 15 SER QB . . 5.500 5.084 4.868 5.216 . 0 0 "[ . 1 . 2]" 2
848 1 8 TYR QE 1 15 SER QB . . 4.520 4.452 4.322 4.527 0.007 1 0 "[ . 1 . 2]" 2
849 1 8 TYR QD 1 15 SER QB . . 4.610 3.648 3.452 4.026 . 0 0 "[ . 1 . 2]" 2
850 1 14 VAL MG2 1 16 TYR HB2 . . 5.010 4.113 3.897 4.650 . 0 0 "[ . 1 . 2]" 2
851 1 14 VAL MG2 1 16 TYR HB3 . . 5.010 2.627 2.397 3.174 . 0 0 "[ . 1 . 2]" 2
852 1 14 VAL HB 1 16 TYR QD . . 4.840 4.028 3.835 4.366 . 0 0 "[ . 1 . 2]" 2
853 1 15 SER H 1 16 TYR QD . . 5.500 4.724 4.482 5.051 . 0 0 "[ . 1 . 2]" 2
854 1 16 TYR QD 1 18 GLU H . . 5.500 5.170 4.439 5.497 . 0 0 "[ . 1 . 2]" 2
855 1 16 TYR QD 1 17 GLY HA3 . . 4.390 2.799 2.384 3.117 . 0 0 "[ . 1 . 2]" 2
856 1 14 VAL MG2 1 16 TYR QE . . 4.630 3.295 3.027 3.746 . 0 0 "[ . 1 . 2]" 2
857 1 16 TYR QE 1 33 HIS HE1 . . 4.680 2.925 2.581 3.315 . 0 0 "[ . 1 . 2]" 2
858 1 13 GLN HG3 1 16 TYR QE . . 4.300 4.198 4.000 4.294 . 0 0 "[ . 1 . 2]" 2
859 1 18 GLU HA 1 19 MET HB2 . . 4.740 4.564 4.507 4.626 . 0 0 "[ . 1 . 2]" 2
860 1 18 GLU HA 1 19 MET HG3 . . 5.400 4.429 4.297 5.404 0.004 2 0 "[ . 1 . 2]" 2
861 1 18 GLU HB2 1 34 TYR QE . . 4.680 4.424 4.033 4.593 . 0 0 "[ . 1 . 2]" 2
862 1 18 GLU HB2 1 34 TYR QD . . 4.460 4.012 3.647 4.215 . 0 0 "[ . 1 . 2]" 2
863 1 18 GLU HG2 1 34 TYR QE . . 5.500 5.032 4.529 5.492 . 0 0 "[ . 1 . 2]" 2
864 1 18 GLU HG3 1 34 TYR QE . . 5.500 5.346 4.645 5.506 0.006 15 0 "[ . 1 . 2]" 2
865 1 18 GLU HA 1 19 MET HA . . 4.560 4.394 4.391 4.404 . 0 0 "[ . 1 . 2]" 2
866 1 19 MET HA 1 34 TYR QE . . 4.720 3.055 2.816 3.366 . 0 0 "[ . 1 . 2]" 2
867 1 19 MET HA 1 32 PHE H . . 4.900 4.188 3.852 4.438 . 0 0 "[ . 1 . 2]" 2
868 1 19 MET HB2 1 31 TRP HB3 . . 4.880 4.170 3.756 4.535 . 0 0 "[ . 1 . 2]" 2
869 1 19 MET HG2 1 34 TYR H . . 5.500 4.496 4.249 4.825 . 0 0 "[ . 1 . 2]" 2
870 1 19 MET HG2 1 31 TRP HE3 . . 5.140 4.469 4.394 4.545 . 0 0 "[ . 1 . 2]" 2
871 1 18 GLU HA 1 19 MET HG2 . . 5.330 4.835 4.188 4.980 . 0 0 "[ . 1 . 2]" 2
872 1 19 MET HG2 1 33 HIS HB3 . . 5.500 4.635 4.443 5.500 . 0 0 "[ . 1 . 2]" 2
873 1 15 SER QB 1 19 MET HG2 . . 5.050 4.829 4.662 5.046 . 0 0 "[ . 1 . 2]" 2
874 1 19 MET HG3 1 33 HIS HD2 . . 4.420 3.414 3.237 3.878 . 0 0 "[ . 1 . 2]" 2
875 1 19 MET HG3 1 20 VAL H . . 5.300 5.186 5.093 5.284 . 0 0 "[ . 1 . 2]" 2
876 1 20 VAL HB 1 21 GLY H . . 4.490 4.399 4.298 4.462 . 0 0 "[ . 1 . 2]" 2
877 1 20 VAL MG2 1 37 VAL MG2 . . 4.810 4.228 3.957 4.419 . 0 0 "[ . 1 . 2]" 2
878 1 20 VAL MG2 1 34 TYR QD . . 5.070 4.910 4.725 5.075 0.005 8 0 "[ . 1 . 2]" 2
879 1 20 VAL MG1 1 39 LEU HG . . 5.080 4.279 4.037 4.517 . 0 0 "[ . 1 . 2]" 2
880 1 20 VAL MG1 1 22 CYS H . . 5.490 4.727 4.475 5.130 . 0 0 "[ . 1 . 2]" 2
881 1 20 VAL MG1 1 34 TYR H . . 5.500 4.614 4.015 4.998 . 0 0 "[ . 1 . 2]" 2
882 1 20 VAL MG2 1 21 GLY HA3 . . 4.990 4.246 4.118 4.367 . 0 0 "[ . 1 . 2]" 2
883 1 21 GLY HA3 1 31 TRP HA . . 4.450 4.059 3.854 4.201 . 0 0 "[ . 1 . 2]" 2
884 1 21 GLY HA3 1 31 TRP HZ3 . . 4.920 4.709 4.456 4.867 . 0 0 "[ . 1 . 2]" 2
885 1 21 GLY HA3 1 31 TRP HE3 . . 4.660 4.597 4.424 4.673 0.013 10 0 "[ . 1 . 2]" 2
886 1 20 VAL MG2 1 22 CYS HA . . 5.330 3.952 3.707 4.153 . 0 0 "[ . 1 . 2]" 2
887 1 22 CYS HA 1 24 ASN H . . 5.190 3.844 3.664 3.983 . 0 0 "[ . 1 . 2]" 2
888 1 22 CYS QB 1 49 CYS HB2 . . 4.200 4.056 3.891 4.168 . 0 0 "[ . 1 . 2]" 2
889 1 21 GLY HA3 1 22 CYS QB . . 5.100 4.893 4.857 4.936 . 0 0 "[ . 1 . 2]" 2
890 1 22 CYS QB 1 31 TRP H . . 4.670 3.823 3.690 3.927 . 0 0 "[ . 1 . 2]" 2
891 1 22 CYS QB 1 32 PHE HZ . . 5.230 3.983 3.660 4.226 . 0 0 "[ . 1 . 2]" 2
892 1 22 CYS QB 1 23 ASP H . . 4.450 3.761 3.643 3.857 . 0 0 "[ . 1 . 2]" 2
893 1 8 TYR HB2 1 29 ILE MG . . 5.230 3.797 3.593 4.110 . 0 0 "[ . 1 . 2]" 2
894 1 24 ASN HA 1 25 GLN QG . . 5.500 4.374 3.582 5.557 0.057 18 0 "[ . 1 . 2]" 2
895 1 24 ASN HA 1 25 GLN HA . . 4.620 4.446 4.394 4.462 . 0 0 "[ . 1 . 2]" 2
896 1 24 ASN HA 1 48 TYR QD . . 5.000 4.752 4.481 4.972 . 0 0 "[ . 1 . 2]" 2
897 1 24 ASN HB3 1 48 TYR QE . . 5.000 4.725 4.452 5.002 0.002 16 0 "[ . 1 . 2]" 2
898 1 24 ASN HB3 1 27 CYS H . . 4.510 3.169 2.937 3.433 . 0 0 "[ . 1 . 2]" 2
899 1 24 ASN HB2 1 27 CYS HB2 . . 4.520 4.343 4.193 4.470 . 0 0 "[ . 1 . 2]" 2
900 1 24 ASN HA 1 25 GLN QB . . 4.730 4.307 4.042 4.526 . 0 0 "[ . 1 . 2]" 2
901 1 26 ASP HB2 1 27 CYS H . . 4.460 3.657 3.049 4.439 . 0 0 "[ . 1 . 2]" 2
902 1 24 ASN HD21 1 27 CYS HA . . 4.470 3.774 3.613 3.973 . 0 0 "[ . 1 . 2]" 2
903 1 27 CYS HA 1 29 ILE H . . 4.610 3.759 3.709 3.804 . 0 0 "[ . 1 . 2]" 2
904 1 24 ASN HD22 1 27 CYS HB2 . . 5.130 4.918 4.822 5.026 . 0 0 "[ . 1 . 2]" 2
905 1 27 CYS HB3 1 30 GLU HG3 . . 4.470 3.244 2.767 3.507 . 0 0 "[ . 1 . 2]" 2
906 1 27 CYS HB3 1 30 GLU HG2 . . 4.470 3.337 1.988 4.478 0.008 6 0 "[ . 1 . 2]" 2
907 1 27 CYS HB3 1 30 GLU HB2 . . 4.670 3.332 2.368 4.462 . 0 0 "[ . 1 . 2]" 2
908 1 24 ASN H 1 27 CYS HB3 . . 5.500 5.323 5.019 5.519 0.019 11 0 "[ . 1 . 2]" 2
909 1 28 PRO HG3 1 29 ILE MD . . 5.050 4.672 4.429 4.824 . 0 0 "[ . 1 . 2]" 2
910 1 28 PRO HG3 1 29 ILE HG12 . . 5.500 5.355 5.158 5.419 . 0 0 "[ . 1 . 2]" 2
911 1 27 CYS HB3 1 28 PRO HD3 . . 5.100 4.779 4.706 4.820 . 0 0 "[ . 1 . 2]" 2
912 1 27 CYS HB2 1 28 PRO HD3 . . 4.990 4.795 4.763 4.836 . 0 0 "[ . 1 . 2]" 2
913 1 27 CYS H 1 28 PRO HD3 . . 5.120 4.825 4.774 4.872 . 0 0 "[ . 1 . 2]" 2
914 1 27 CYS H 1 28 PRO HD2 . . 4.750 4.776 4.739 4.808 0.058 18 0 "[ . 1 . 2]" 2
915 1 27 CYS HB3 1 28 PRO HD2 . . 4.670 3.809 3.695 3.870 . 0 0 "[ . 1 . 2]" 2
916 1 28 PRO HD2 1 29 ILE HB . . 5.040 4.600 4.552 4.654 . 0 0 "[ . 1 . 2]" 2
917 1 28 PRO HD2 1 29 ILE HG13 . . 5.360 3.726 3.668 3.822 . 0 0 "[ . 1 . 2]" 2
918 1 28 PRO HD2 1 29 ILE HG12 . . 5.500 5.440 5.276 5.494 . 0 0 "[ . 1 . 2]" 2
919 1 28 PRO HB2 1 29 ILE HA . . 4.570 4.330 4.277 4.398 . 0 0 "[ . 1 . 2]" 2
920 1 29 ILE HA 1 31 TRP H . . 4.910 4.088 3.951 4.197 . 0 0 "[ . 1 . 2]" 2
921 1 28 PRO HG2 1 29 ILE HB . . 4.290 4.254 4.154 4.328 0.038 18 0 "[ . 1 . 2]" 2
922 1 9 CYS HA 1 29 ILE HB . . 5.190 4.720 4.574 4.871 . 0 0 "[ . 1 . 2]" 2
923 1 29 ILE HB 1 30 GLU HA . . 5.420 4.220 4.153 4.271 . 0 0 "[ . 1 . 2]" 2
924 1 29 ILE HG12 1 32 PHE HZ . . 5.040 4.676 4.411 4.958 . 0 0 "[ . 1 . 2]" 2
925 1 29 ILE HG12 1 30 GLU H . . 5.300 4.818 4.765 4.877 . 0 0 "[ . 1 . 2]" 2
926 1 29 ILE HG13 1 30 GLU H . . 4.930 3.934 3.890 4.002 . 0 0 "[ . 1 . 2]" 2
927 1 29 ILE HG13 1 32 PHE HZ . . 4.650 3.627 3.186 3.934 . 0 0 "[ . 1 . 2]" 2
928 1 28 PRO HG2 1 29 ILE MG . . 5.150 4.985 4.967 5.008 . 0 0 "[ . 1 . 2]" 2
929 1 22 CYS QB 1 29 ILE MG . . 5.500 4.948 4.704 5.096 . 0 0 "[ . 1 . 2]" 2
930 1 29 ILE MG 1 32 PHE HB3 . . 5.500 5.003 4.673 5.326 . 0 0 "[ . 1 . 2]" 2
931 1 9 CYS HB3 1 29 ILE MG . . 4.980 4.753 4.695 4.838 . 0 0 "[ . 1 . 2]" 2
932 1 10 ILE HA 1 29 ILE MG . . 4.700 4.382 4.151 4.522 . 0 0 "[ . 1 . 2]" 2
933 1 8 TYR HA 1 29 ILE MG . . 3.890 2.798 2.563 3.197 . 0 0 "[ . 1 . 2]" 2
934 1 29 ILE MG 1 32 PHE HA . . 4.400 3.762 3.533 3.977 . 0 0 "[ . 1 . 2]" 2
935 1 10 ILE H 1 29 ILE MG . . 4.800 3.693 3.533 3.816 . 0 0 "[ . 1 . 2]" 2
936 1 29 ILE MD 1 51 GLN HE22 . . 4.830 1.990 1.809 2.414 . 0 0 "[ . 1 . 2]" 2
937 1 29 ILE MD 1 30 GLU H . . 4.840 4.235 4.035 4.452 . 0 0 "[ . 1 . 2]" 2
938 1 10 ILE H 1 29 ILE MD . . 5.500 3.371 3.235 3.547 . 0 0 "[ . 1 . 2]" 2
939 1 28 PRO HD2 1 29 ILE MD . . 5.040 4.445 4.040 4.743 . 0 0 "[ . 1 . 2]" 2
940 1 30 GLU HA 1 32 PHE QE . . 4.630 3.009 2.774 3.255 . 0 0 "[ . 1 . 2]" 2
941 1 30 GLU HB2 1 31 TRP HE1 . . 5.500 4.351 3.295 5.245 . 0 0 "[ . 1 . 2]" 2
942 1 27 CYS HB3 1 30 GLU HB3 . . 4.670 4.033 3.789 4.166 . 0 0 "[ . 1 . 2]" 2
943 1 30 GLU HB3 1 31 TRP HE1 . . 5.500 3.785 3.419 4.374 . 0 0 "[ . 1 . 2]" 2
944 1 30 GLU H 1 30 GLU HG2 . . 4.830 3.908 2.997 4.595 . 0 0 "[ . 1 . 2]" 2
945 1 30 GLU HG2 1 31 TRP H . . 5.500 4.795 4.609 5.052 . 0 0 "[ . 1 . 2]" 2
946 1 30 GLU HG2 1 31 TRP HD1 . . 5.500 4.978 4.503 5.539 0.039 8 0 "[ . 1 . 2]" 2
947 1 30 GLU H 1 30 GLU HG3 . . 4.830 3.827 2.917 4.492 . 0 0 "[ . 1 . 2]" 2
948 1 31 TRP HA 1 31 TRP HZ3 . . 5.080 4.998 4.961 5.084 0.004 18 0 "[ . 1 . 2]" 2
949 1 19 MET HB3 1 31 TRP HB3 . . 4.450 3.110 2.700 3.481 . 0 0 "[ . 1 . 2]" 2
950 1 30 GLU HG3 1 31 TRP HD1 . . 5.500 5.080 4.378 5.534 0.034 10 0 "[ . 1 . 2]" 2
951 1 30 GLU HA 1 31 TRP HD1 . . 4.820 4.784 4.672 4.827 0.007 6 0 "[ . 1 . 2]" 2
952 1 21 GLY HA2 1 31 TRP HE3 . . 4.030 3.922 3.696 4.035 0.005 6 0 "[ . 1 . 2]" 2
953 1 19 MET HB2 1 31 TRP HZ3 . . 4.780 2.808 2.596 2.971 . 0 0 "[ . 1 . 2]" 2
954 1 19 MET HB3 1 31 TRP HZ3 . . 4.780 3.746 3.490 3.932 . 0 0 "[ . 1 . 2]" 2
955 1 20 VAL HA 1 31 TRP HZ3 . . 4.900 4.618 4.341 4.758 . 0 0 "[ . 1 . 2]" 2
956 1 19 MET HA 1 31 TRP HZ3 . . 5.450 5.237 5.116 5.383 . 0 0 "[ . 1 . 2]" 2
957 1 32 PHE HB3 1 37 VAL H . . 5.290 4.476 4.369 4.588 . 0 0 "[ . 1 . 2]" 2
958 1 31 TRP HA 1 32 PHE HB2 . . 5.040 4.677 4.552 4.781 . 0 0 "[ . 1 . 2]" 2
959 1 9 CYS HA 1 32 PHE QD . . 4.670 3.763 3.513 3.983 . 0 0 "[ . 1 . 2]" 2
960 1 30 GLU HA 1 32 PHE QD . . 5.200 4.238 4.051 4.459 . 0 0 "[ . 1 . 2]" 2
961 1 10 ILE H 1 32 PHE QD . . 4.520 2.782 2.516 2.998 . 0 0 "[ . 1 . 2]" 2
962 1 32 PHE QE 1 47 TRP HZ3 . . 5.170 3.987 3.831 4.203 . 0 0 "[ . 1 . 2]" 2
963 1 31 TRP H 1 32 PHE QE . . 4.770 2.615 2.258 2.803 . 0 0 "[ . 1 . 2]" 2
964 1 29 ILE MG 1 32 PHE HZ . . 4.580 3.698 3.382 4.022 . 0 0 "[ . 1 . 2]" 2
965 1 33 HIS HA 1 34 TYR QD . . 4.810 3.237 3.074 3.446 . 0 0 "[ . 1 . 2]" 2
966 1 33 HIS HB3 1 34 TYR H . . 4.760 2.731 2.570 2.877 . 0 0 "[ . 1 . 2]" 2
967 1 19 MET ME 1 33 HIS HE1 . . 5.000 4.436 4.288 4.669 . 0 0 "[ . 1 . 2]" 2
968 1 34 TYR HA 1 39 LEU HG . . 4.540 4.258 4.100 4.421 . 0 0 "[ . 1 . 2]" 2
969 1 33 HIS HA 1 34 TYR HA . . 5.080 4.311 4.309 4.314 . 0 0 "[ . 1 . 2]" 2
970 1 34 TYR HA 1 39 LEU H . . 4.680 3.416 3.259 3.575 . 0 0 "[ . 1 . 2]" 2
971 1 34 TYR HB3 1 39 LEU HB3 . . 4.260 3.892 3.735 4.025 . 0 0 "[ . 1 . 2]" 2
972 1 18 GLU HB3 1 34 TYR QD . . 4.640 3.633 3.316 4.007 . 0 0 "[ . 1 . 2]" 2
973 1 34 TYR QD 1 37 VAL MG2 . . 4.310 3.846 3.712 3.981 . 0 0 "[ . 1 . 2]" 2
974 1 20 VAL HA 1 34 TYR QD . . 5.270 4.965 4.750 5.059 . 0 0 "[ . 1 . 2]" 2
975 1 34 TYR QE 1 41 GLU HB2 . . 5.140 4.883 4.464 5.085 . 0 0 "[ . 1 . 2]" 2
976 1 20 VAL H 1 34 TYR QE . . 4.700 2.808 2.576 2.974 . 0 0 "[ . 1 . 2]" 2
977 1 10 ILE MD 1 36 CYS HA . . 4.020 3.830 3.682 3.993 . 0 0 "[ . 1 . 2]" 2
978 1 36 CYS HA 1 37 VAL MG1 . . 4.740 4.632 4.565 4.701 . 0 0 "[ . 1 . 2]" 2
979 1 37 VAL HB 1 50 PRO HD2 . . 4.860 4.550 4.225 4.747 . 0 0 "[ . 1 . 2]" 2
980 1 37 VAL HB 1 47 TRP HH2 . . 4.670 4.175 4.009 4.351 . 0 0 "[ . 1 . 2]" 2
981 1 10 ILE HG12 1 37 VAL MG1 . . 5.050 3.795 3.645 3.905 . 0 0 "[ . 1 . 2]" 2
982 1 37 VAL MG1 1 49 CYS HB3 . . 5.080 4.615 4.427 4.781 . 0 0 "[ . 1 . 2]" 2
983 1 37 VAL MG1 1 50 PRO HB2 . . 5.500 5.353 5.162 5.490 . 0 0 "[ . 1 . 2]" 2
984 1 34 TYR HA 1 37 VAL MG1 . . 5.070 4.179 4.080 4.375 . 0 0 "[ . 1 . 2]" 2
985 1 37 VAL MG1 1 47 TRP HZ3 . . 5.190 4.433 4.232 4.568 . 0 0 "[ . 1 . 2]" 2
986 1 32 PHE H 1 37 VAL MG1 . . 5.500 4.611 4.483 4.733 . 0 0 "[ . 1 . 2]" 2
987 1 20 VAL HB 1 37 VAL MG2 . . 5.500 4.382 4.115 4.678 . 0 0 "[ . 1 . 2]" 2
988 1 34 TYR QE 1 37 VAL MG2 . . 5.440 4.904 4.801 5.018 . 0 0 "[ . 1 . 2]" 2
989 1 32 PHE H 1 37 VAL MG2 . . 5.500 5.413 5.190 5.519 0.019 16 0 "[ . 1 . 2]" 2
990 1 39 LEU HA 1 39 LEU MD1 . . 4.610 3.838 3.816 3.861 . 0 0 "[ . 1 . 2]" 2
991 1 34 TYR HB2 1 39 LEU HB2 . . 4.610 4.365 4.255 4.506 . 0 0 "[ . 1 . 2]" 2
992 1 34 TYR QD 1 39 LEU HB2 . . 4.500 3.344 3.092 3.478 . 0 0 "[ . 1 . 2]" 2
993 1 34 TYR QD 1 39 LEU HB3 . . 4.670 3.270 3.034 3.594 . 0 0 "[ . 1 . 2]" 2
994 1 34 TYR HB2 1 39 LEU HB3 . . 5.500 5.331 5.178 5.443 . 0 0 "[ . 1 . 2]" 2
995 1 37 VAL HB 1 39 LEU MD1 . . 5.410 3.834 3.576 4.089 . 0 0 "[ . 1 . 2]" 2
996 1 20 VAL HA 1 39 LEU MD1 . . 5.170 4.943 4.630 5.157 . 0 0 "[ . 1 . 2]" 2
997 1 39 LEU MD1 1 47 TRP HZ2 . . 4.720 3.595 3.305 3.798 . 0 0 "[ . 1 . 2]" 2
998 1 39 LEU MD1 1 41 GLU H . . 5.150 5.036 4.596 5.156 0.006 20 0 "[ . 1 . 2]" 2
999 1 34 TYR H 1 39 LEU MD1 . . 5.490 5.384 5.279 5.495 0.005 12 0 "[ . 1 . 2]" 2
1000 1 39 LEU MD2 1 43 PRO HB2 . . 4.990 4.161 3.787 4.402 . 0 0 "[ . 1 . 2]" 2
1001 1 39 LEU HB2 1 39 LEU MD2 . . 3.630 3.184 3.175 3.191 . 0 0 "[ . 1 . 2]" 2
1002 1 34 TYR HA 1 39 LEU MD2 . . 5.150 5.111 5.059 5.155 0.005 11 0 "[ . 1 . 2]" 2
1003 1 39 LEU MD2 1 42 ALA HA . . 4.760 4.425 3.795 4.762 0.002 6 0 "[ . 1 . 2]" 2
1004 1 34 TYR QE 1 39 LEU MD2 . . 5.440 4.929 4.676 5.211 . 0 0 "[ . 1 . 2]" 2
1005 1 34 TYR QD 1 39 LEU MD2 . . 5.500 4.860 4.715 5.030 . 0 0 "[ . 1 . 2]" 2
1006 1 39 LEU MD2 1 47 TRP HZ2 . . 5.470 5.285 5.130 5.460 . 0 0 "[ . 1 . 2]" 2
1007 1 39 LEU MD2 1 40 THR H . . 4.860 3.513 3.061 3.873 . 0 0 "[ . 1 . 2]" 2
1008 1 40 THR HB 1 41 GLU H . . 4.850 3.871 3.747 4.100 . 0 0 "[ . 1 . 2]" 2
1009 1 40 THR HB 1 41 GLU HB3 . . 4.790 3.996 3.907 4.110 . 0 0 "[ . 1 . 2]" 2
1010 1 40 THR MG 1 41 GLU HB3 . . 5.290 5.089 5.032 5.151 . 0 0 "[ . 1 . 2]" 2
1011 1 34 TYR QD 1 41 GLU HA . . 4.560 3.571 3.328 3.734 . 0 0 "[ . 1 . 2]" 2
1012 1 41 GLU HG3 1 42 ALA H . . 4.590 3.441 2.630 4.294 . 0 0 "[ . 1 . 2]" 2
1013 1 20 VAL MG2 1 42 ALA HA . . 4.770 4.567 4.087 4.769 . 0 0 "[ . 1 . 2]" 2
1014 1 42 ALA HA 1 43 PRO HB2 . . 5.500 5.468 5.452 5.492 . 0 0 "[ . 1 . 2]" 2
1015 1 41 GLU HA 1 42 ALA HA . . 4.750 4.305 4.293 4.318 . 0 0 "[ . 1 . 2]" 2
1016 1 39 LEU MD1 1 42 ALA MB . . 5.500 5.105 4.888 5.244 . 0 0 "[ . 1 . 2]" 2
1017 1 20 VAL MG2 1 42 ALA MB . . 5.090 4.839 4.605 5.063 . 0 0 "[ . 1 . 2]" 2
1018 1 41 GLU HG3 1 42 ALA MB . . 4.900 4.267 3.516 4.886 . 0 0 "[ . 1 . 2]" 2
1019 1 42 ALA MB 1 43 PRO HA . . 5.150 4.526 4.500 4.553 . 0 0 "[ . 1 . 2]" 2
1020 1 42 ALA MB 1 44 LYS HA . . 5.500 4.503 4.187 4.781 . 0 0 "[ . 1 . 2]" 2
1021 1 39 LEU MD1 1 43 PRO HA . . 5.440 4.867 4.648 5.131 . 0 0 "[ . 1 . 2]" 2
1022 1 43 PRO HA 1 45 GLY H . . 5.350 4.019 3.792 4.261 . 0 0 "[ . 1 . 2]" 2
1023 1 43 PRO HB2 1 47 TRP HD1 . . 4.600 4.228 4.000 4.448 . 0 0 "[ . 1 . 2]" 2
1024 1 20 VAL MG2 1 43 PRO HB2 . . 4.940 4.783 4.351 4.939 . 0 0 "[ . 1 . 2]" 2
1025 1 39 LEU MD1 1 43 PRO HB2 . . 5.120 4.571 4.339 4.804 . 0 0 "[ . 1 . 2]" 2
1026 1 20 VAL MG2 1 43 PRO HB3 . . 5.160 4.605 4.164 4.880 . 0 0 "[ . 1 . 2]" 2
1027 1 39 LEU MD1 1 43 PRO HB3 . . 4.660 3.433 3.097 3.673 . 0 0 "[ . 1 . 2]" 2
1028 1 32 PHE HB2 1 50 PRO HD2 . . 5.190 4.779 4.600 4.939 . 0 0 "[ . 1 . 2]" 2
1029 1 47 TRP HH2 1 50 PRO HD2 . . 4.520 3.390 3.212 3.693 . 0 0 "[ . 1 . 2]" 2
1030 1 37 VAL HA 1 50 PRO HD2 . . 5.500 5.141 4.905 5.333 . 0 0 "[ . 1 . 2]" 2
1031 1 34 TYR QE 1 43 PRO HD2 . . 5.180 4.390 3.919 4.685 . 0 0 "[ . 1 . 2]" 2
1032 1 34 TYR QE 1 43 PRO HD3 . . 5.180 4.087 3.707 4.344 . 0 0 "[ . 1 . 2]" 2
1033 1 50 PRO HD2 1 51 GLN H . . 4.420 2.804 2.797 2.838 . 0 0 "[ . 1 . 2]" 2
1034 1 47 TRP HH2 1 50 PRO HD3 . . 4.850 3.616 3.393 3.956 . 0 0 "[ . 1 . 2]" 2
1035 1 45 GLY HA2 1 46 LYS HB2 . . 5.450 5.091 4.937 5.251 . 0 0 "[ . 1 . 2]" 2
1036 1 45 GLY HA3 1 46 LYS HB2 . . 5.450 4.621 4.565 4.708 . 0 0 "[ . 1 . 2]" 2
1037 1 46 LYS HG3 1 47 TRP H . . 5.440 5.340 5.204 5.454 0.014 12 0 "[ . 1 . 2]" 2
1038 1 46 LYS HG2 1 47 TRP H . . 4.830 4.736 4.634 4.830 0.000 4 0 "[ . 1 . 2]" 2
1039 1 46 LYS H 1 46 LYS HD2 . . 5.380 5.109 4.471 5.368 . 0 0 "[ . 1 . 2]" 2
1040 1 46 LYS H 1 46 LYS HD3 . . 5.380 4.598 4.153 4.897 . 0 0 "[ . 1 . 2]" 2
1041 1 47 TRP HA 1 48 TYR HB2 . . 4.560 4.439 4.395 4.476 . 0 0 "[ . 1 . 2]" 2
1042 1 43 PRO HG3 1 47 TRP HB3 . . 4.310 2.780 2.416 3.079 . 0 0 "[ . 1 . 2]" 2
1043 1 43 PRO HB3 1 47 TRP HB3 . . 4.570 4.271 3.910 4.565 . 0 0 "[ . 1 . 2]" 2
1044 1 39 LEU MD1 1 47 TRP HD1 . . 4.510 2.996 2.653 3.233 . 0 0 "[ . 1 . 2]" 2
1045 1 43 PRO HG2 1 47 TRP HD1 . . 5.500 5.163 4.891 5.503 0.003 16 0 "[ . 1 . 2]" 2
1046 1 47 TRP HZ3 1 49 CYS HB3 . . 4.240 2.896 2.791 3.024 . 0 0 "[ . 1 . 2]" 2
1047 1 47 TRP HZ3 1 49 CYS HB2 . . 4.710 4.176 4.010 4.326 . 0 0 "[ . 1 . 2]" 2
1048 1 47 TRP HZ3 1 49 CYS HA . . 4.590 3.688 3.493 3.911 . 0 0 "[ . 1 . 2]" 2
1049 1 32 PHE QE 1 47 TRP HH2 . . 4.300 4.168 3.982 4.309 0.009 15 0 "[ . 1 . 2]" 2
1050 1 32 PHE HB3 1 47 TRP HH2 . . 4.350 3.423 3.191 3.710 . 0 0 "[ . 1 . 2]" 2
1051 1 48 TYR HA 1 49 CYS HB3 . . 4.570 4.376 4.365 4.391 . 0 0 "[ . 1 . 2]" 2
1052 1 48 TYR HA 1 52 CYS HB2 . . 4.700 4.489 4.378 4.603 . 0 0 "[ . 1 . 2]" 2
1053 1 22 CYS QB 1 48 TYR HA . . 5.110 4.526 4.399 4.700 . 0 0 "[ . 1 . 2]" 2
1054 1 47 TRP HB3 1 48 TYR HA . . 5.500 4.761 4.646 4.858 . 0 0 "[ . 1 . 2]" 2
1055 1 48 TYR HA 1 49 CYS HA . . 4.860 4.373 4.355 4.389 . 0 0 "[ . 1 . 2]" 2
1056 1 47 TRP HE3 1 48 TYR HA . . 4.490 3.519 3.292 3.811 . 0 0 "[ . 1 . 2]" 2
1057 1 48 TYR HB2 1 56 MET ME . . 5.310 3.737 3.263 4.802 . 0 0 "[ . 1 . 2]" 2
1058 1 48 TYR HB2 1 52 CYS HB2 . . 4.610 4.626 4.572 4.642 0.032 18 0 "[ . 1 . 2]" 2
1059 1 48 TYR HB2 1 53 THR HA . . 4.790 4.642 4.479 4.730 . 0 0 "[ . 1 . 2]" 2
1060 1 48 TYR HB3 1 53 THR HA . . 4.740 4.383 4.223 4.454 . 0 0 "[ . 1 . 2]" 2
1061 1 48 TYR HB2 1 49 CYS H . . 4.430 4.330 4.270 4.381 . 0 0 "[ . 1 . 2]" 2
1062 1 23 ASP HB3 1 48 TYR QD . . 4.810 3.192 2.779 3.902 . 0 0 "[ . 1 . 2]" 2
1063 1 47 TRP HA 1 48 TYR QD . . 5.050 3.716 3.235 4.194 . 0 0 "[ . 1 . 2]" 2
1064 1 48 TYR QD 1 53 THR HA . . 5.500 5.473 5.320 5.525 0.025 15 0 "[ . 1 . 2]" 2
1065 1 46 LYS HG3 1 48 TYR QE . . 4.830 4.069 3.651 4.460 . 0 0 "[ . 1 . 2]" 2
1066 1 23 ASP H 1 48 TYR QE . . 4.850 4.575 4.304 4.806 . 0 0 "[ . 1 . 2]" 2
1067 1 37 VAL MG2 1 49 CYS HA . . 5.160 4.984 4.689 5.153 . 0 0 "[ . 1 . 2]" 2
1068 1 37 VAL MG1 1 49 CYS HA . . 4.460 3.586 3.440 3.778 . 0 0 "[ . 1 . 2]" 2
1069 1 32 PHE HB2 1 49 CYS HA . . 5.290 4.734 4.612 4.884 . 0 0 "[ . 1 . 2]" 2
1070 1 37 VAL HB 1 49 CYS HA . . 5.500 4.463 4.175 4.606 . 0 0 "[ . 1 . 2]" 2
1071 1 22 CYS QB 1 49 CYS HA . . 5.090 4.795 4.671 4.900 . 0 0 "[ . 1 . 2]" 2
1072 1 32 PHE QE 1 49 CYS HA . . 4.900 4.779 4.552 4.907 0.007 17 0 "[ . 1 . 2]" 2
1073 1 32 PHE QD 1 49 CYS HB3 . . 4.760 3.422 3.274 3.613 . 0 0 "[ . 1 . 2]" 2
1074 1 50 PRO HA 1 54 ALA H . . 4.570 3.975 3.883 4.095 . 0 0 "[ . 1 . 2]" 2
1075 1 50 PRO HG2 1 51 GLN H . . 4.990 2.970 2.956 3.038 . 0 0 "[ . 1 . 2]" 2
1076 1 50 PRO HG3 1 51 GLN H . . 4.990 4.331 4.321 4.383 . 0 0 "[ . 1 . 2]" 2
1077 1 51 GLN HA 1 55 ALA H . . 5.000 4.770 4.511 4.911 . 0 0 "[ . 1 . 2]" 2
1078 1 50 PRO HB2 1 51 GLN HA . . 4.540 4.247 4.243 4.269 . 0 0 "[ . 1 . 2]" 2
1079 1 29 ILE MD 1 51 GLN HB3 . . 5.060 4.312 3.999 4.602 . 0 0 "[ . 1 . 2]" 2
1080 1 51 GLN HB3 1 54 ALA MB . . 5.500 5.124 5.078 5.255 . 0 0 "[ . 1 . 2]" 2
1081 1 51 GLN HB3 1 55 ALA MB . . 5.500 5.002 4.702 5.243 . 0 0 "[ . 1 . 2]" 2
1082 1 29 ILE MD 1 51 GLN HB2 . . 5.360 3.809 3.528 4.103 . 0 0 "[ . 1 . 2]" 2
1083 1 52 CYS HA 1 56 MET HG3 . . 4.400 3.715 3.486 3.854 . 0 0 "[ . 1 . 2]" 2
1084 1 52 CYS HA 1 56 MET H . . 4.900 3.809 3.606 3.960 . 0 0 "[ . 1 . 2]" 2
1085 1 48 TYR QD 1 52 CYS HB3 . . 4.560 4.094 3.673 4.424 . 0 0 "[ . 1 . 2]" 2
1086 1 53 THR HA 1 56 MET HG3 . . 5.040 3.602 3.352 3.796 . 0 0 "[ . 1 . 2]" 2
1087 1 52 CYS HB2 1 53 THR HA . . 4.890 4.427 4.393 4.454 . 0 0 "[ . 1 . 2]" 2
1088 1 53 THR HB 1 54 ALA MB . . 4.880 4.084 3.990 4.971 0.091 20 0 "[ . 1 . 2]" 2
1089 1 55 ALA HA 1 58 ARG QD . . 4.730 3.375 2.110 4.067 . 0 0 "[ . 1 . 2]" 2
1090 1 55 ALA MB 1 58 ARG QD . . 4.970 4.399 3.514 4.962 . 0 0 "[ . 1 . 2]" 2
1091 1 52 CYS HB2 1 55 ALA MB . . 5.380 5.237 5.139 5.342 . 0 0 "[ . 1 . 2]" 2
1092 1 52 CYS H 1 55 ALA MB . . 5.250 4.926 4.774 5.071 . 0 0 "[ . 1 . 2]" 2
1093 1 53 THR HA 1 56 MET ME . . 3.910 2.415 1.944 3.722 . 0 0 "[ . 1 . 2]" 2
1094 1 56 MET H 1 56 MET ME . . 4.910 3.778 3.512 4.422 . 0 0 "[ . 1 . 2]" 2
1095 1 37 VAL MG2 1 39 LEU HG . . 3.230 2.194 2.014 2.426 . 0 0 "[ . 1 . 2]" 2
1096 1 7 GLY HA3 1 12 ASN HA . . 4.760 2.848 2.574 3.472 . 0 0 "[ . 1 . 2]" 2
1097 1 13 GLN HB3 1 14 VAL MG2 . . 4.300 2.988 2.944 3.052 . 0 0 "[ . 1 . 2]" 2
1098 1 13 GLN HB2 1 14 VAL MG2 . . 4.800 4.265 4.183 4.371 . 0 0 "[ . 1 . 2]" 2
1099 1 11 CYS HB3 1 13 GLN HG3 . . 4.260 4.265 4.244 4.278 0.018 8 0 "[ . 1 . 2]" 2
1100 1 19 MET HA 1 31 TRP HE3 . . 5.110 4.311 4.118 4.438 . 0 0 "[ . 1 . 2]" 2
1101 1 19 MET HA 1 20 VAL HB . . 4.730 4.514 4.391 4.722 . 0 0 "[ . 1 . 2]" 2
1102 1 19 MET ME 1 32 PHE HB3 . . 4.770 4.209 4.081 4.638 . 0 0 "[ . 1 . 2]" 2
1103 1 19 MET ME 1 29 ILE MG . . 5.240 3.565 3.432 3.773 . 0 0 "[ . 1 . 2]" 2
1104 1 19 MET ME 1 20 VAL MG1 . . 5.130 4.128 3.972 4.659 . 0 0 "[ . 1 . 2]" 2
1105 1 25 GLN HA 1 27 CYS H . . 3.790 3.576 3.391 3.775 . 0 0 "[ . 1 . 2]" 2
1106 1 27 CYS HA 1 28 PRO HG3 . . 4.480 4.340 4.338 4.344 . 0 0 "[ . 1 . 2]" 2
1107 1 27 CYS HA 1 28 PRO HG2 . . 4.550 4.294 4.290 4.303 . 0 0 "[ . 1 . 2]" 2
1108 1 27 CYS HA 1 28 PRO HB3 . . 4.890 4.834 4.832 4.835 . 0 0 "[ . 1 . 2]" 2
1109 1 28 PRO HB2 1 29 ILE MD . . 4.910 4.543 4.407 4.665 . 0 0 "[ . 1 . 2]" 2
1110 1 28 PRO HB2 1 29 ILE HG12 . . 4.500 3.995 3.738 4.216 . 0 0 "[ . 1 . 2]" 2
1111 1 29 ILE HB 1 32 PHE QD . . 5.030 4.195 4.035 4.343 . 0 0 "[ . 1 . 2]" 2
1112 1 28 PRO HB3 1 29 ILE HG13 . . 4.930 4.668 4.536 4.779 . 0 0 "[ . 1 . 2]" 2
1113 1 10 ILE MD 1 36 CYS HB2 . . 3.960 3.719 3.548 3.811 . 0 0 "[ . 1 . 2]" 2
1114 1 36 CYS HB2 1 37 VAL MG1 . . 3.750 3.094 3.013 3.231 . 0 0 "[ . 1 . 2]" 2
1115 1 37 VAL HB 1 47 TRP HE1 . . 5.500 3.283 2.979 3.557 . 0 0 "[ . 1 . 2]" 2
1116 1 37 VAL H 1 38 GLY HA3 . . 4.990 4.898 4.834 4.936 . 0 0 "[ . 1 . 2]" 2
1117 1 34 TYR HB3 1 39 LEU MD1 . . 4.770 4.552 4.323 4.754 . 0 0 "[ . 1 . 2]" 2
1118 1 39 LEU MD1 1 47 TRP HA . . 5.500 5.254 5.096 5.455 . 0 0 "[ . 1 . 2]" 2
1119 1 42 ALA MB 1 43 PRO HG2 . . 4.590 4.266 4.065 4.465 . 0 0 "[ . 1 . 2]" 2
1120 1 62 ARG HA 1 62 ARG QD . . 4.020 3.360 2.019 4.141 0.121 16 0 "[ . 1 . 2]" 2
1121 1 32 PHE QD 1 49 CYS HB2 . . 5.010 3.480 3.318 3.616 . 0 0 "[ . 1 . 2]" 2
1122 1 37 VAL MG1 1 49 CYS HB2 . . 4.820 3.893 3.733 4.073 . 0 0 "[ . 1 . 2]" 2
1123 1 51 GLN HB3 1 52 CYS HA . . 4.750 4.185 4.158 4.219 . 0 0 "[ . 1 . 2]" 2
1124 1 51 GLN HB2 1 52 CYS HA . . 4.960 4.846 4.798 4.888 . 0 0 "[ . 1 . 2]" 2
1125 1 54 ALA HA 1 57 LYS QE . . 5.270 3.255 2.044 4.857 . 0 0 "[ . 1 . 2]" 2
1126 1 51 GLN HB2 1 54 ALA MB . . 5.500 5.535 5.520 5.588 0.088 20 0 "[ . 1 . 2]" 2
1127 1 56 MET HA 1 56 MET ME . . 4.830 4.536 4.035 4.724 . 0 0 "[ . 1 . 2]" 2
1128 1 57 LYS H 1 57 LYS QD . . 4.860 4.430 4.056 4.596 . 0 0 "[ . 1 . 2]" 2
1129 1 8 TYR QE 1 30 GLU QB . . 5.150 4.998 4.740 5.147 . 0 0 "[ . 1 . 2]" 2
1130 1 10 ILE HG13 1 11 CYS QB . . 4.330 3.226 3.141 3.307 . 0 0 "[ . 1 . 2]" 2
1131 1 11 CYS H 1 11 CYS QB . . 3.030 2.655 2.602 2.726 . 0 0 "[ . 1 . 2]" 2
1132 1 11 CYS H 1 12 ASN QB . . 5.340 5.202 5.015 5.324 . 0 0 "[ . 1 . 2]" 2
1133 1 11 CYS QB 1 12 ASN H . . 4.120 3.947 3.925 3.956 . 0 0 "[ . 1 . 2]" 2
1134 1 11 CYS QB 1 13 GLN H . . 4.720 4.413 4.275 4.491 . 0 0 "[ . 1 . 2]" 2
1135 1 11 CYS QB 1 13 GLN HG2 . . 3.750 3.242 3.181 3.336 . 0 0 "[ . 1 . 2]" 2
1136 1 11 CYS QB 1 13 GLN HG3 . . 3.730 2.925 2.880 2.972 . 0 0 "[ . 1 . 2]" 2
1137 1 12 ASN H 1 12 ASN QB . . 3.610 3.141 2.828 3.263 . 0 0 "[ . 1 . 2]" 2
1138 1 12 ASN H 1 12 ASN QD . . 4.620 3.757 2.378 4.473 . 0 0 "[ . 1 . 2]" 2
1139 1 12 ASN QB 1 13 GLN H . . 4.180 3.912 3.879 3.976 . 0 0 "[ . 1 . 2]" 2
1140 1 12 ASN QB 1 13 GLN HG2 . . 5.010 3.873 3.807 3.929 . 0 0 "[ . 1 . 2]" 2
1141 1 14 VAL MG2 1 16 TYR QB . . 4.280 2.598 2.376 3.121 . 0 0 "[ . 1 . 2]" 2
1142 1 16 TYR QB 1 17 GLY H . . 3.530 2.254 2.116 2.497 . 0 0 "[ . 1 . 2]" 2
1143 1 16 TYR QD 1 17 GLY QA . . 3.690 2.695 2.330 2.977 . 0 0 "[ . 1 . 2]" 2
1144 1 17 GLY QA 1 18 GLU H . . 2.550 2.263 2.130 2.284 . 0 0 "[ . 1 . 2]" 2
1145 1 18 GLU H 1 18 GLU QG . . 3.080 2.891 2.366 3.096 0.016 16 0 "[ . 1 . 2]" 2
1146 1 18 GLU HA 1 18 GLU QG . . 3.130 2.248 2.115 2.468 . 0 0 "[ . 1 . 2]" 2
1147 1 18 GLU QG 1 34 TYR QE . . 4.820 4.576 4.326 4.819 . 0 0 "[ . 1 . 2]" 2
1148 1 20 VAL HA 1 43 PRO QD . . 5.350 5.035 4.768 5.267 . 0 0 "[ . 1 . 2]" 2
1149 1 20 VAL MG2 1 43 PRO QD . . 3.590 2.936 2.686 3.123 . 0 0 "[ . 1 . 2]" 2
1150 1 22 CYS H 1 30 GLU QG . . 5.250 3.584 2.436 4.808 . 0 0 "[ . 1 . 2]" 2
1151 1 22 CYS HA 1 23 ASP QB . . 4.760 4.115 4.050 4.224 . 0 0 "[ . 1 . 2]" 2
1152 1 23 ASP H 1 23 ASP QB . . 3.160 2.225 2.131 2.260 . 0 0 "[ . 1 . 2]" 2
1153 1 23 ASP QB 1 46 LYS HA . . 4.870 4.413 4.160 4.779 . 0 0 "[ . 1 . 2]" 2
1154 1 23 ASP QB 1 46 LYS QD . . 3.620 3.128 2.752 3.594 . 0 0 "[ . 1 . 2]" 2
1155 1 23 ASP QB 1 47 TRP H . . 3.690 3.506 3.154 3.699 0.009 14 0 "[ . 1 . 2]" 2
1156 1 23 ASP QB 1 48 TYR QD . . 4.150 2.860 2.575 3.063 . 0 0 "[ . 1 . 2]" 2
1157 1 23 ASP QB 1 48 TYR QE . . 3.470 2.311 2.050 2.545 . 0 0 "[ . 1 . 2]" 2
1158 1 24 ASN HA 1 26 ASP QB . . 5.340 4.609 4.421 4.950 . 0 0 "[ . 1 . 2]" 2
1159 1 24 ASN HD21 1 26 ASP QB . . 3.670 3.052 2.766 3.314 . 0 0 "[ . 1 . 2]" 2
1160 1 24 ASN HD22 1 26 ASP QB . . 4.210 2.049 1.876 2.225 . 0 0 "[ . 1 . 2]" 2
1161 1 26 ASP H 1 26 ASP QB . . 3.120 2.326 2.163 2.686 . 0 0 "[ . 1 . 2]" 2
1162 1 26 ASP QB 1 27 CYS H . . 3.750 3.126 2.942 3.434 . 0 0 "[ . 1 . 2]" 2
1163 1 27 CYS H 1 30 GLU QB . . 5.340 4.678 4.185 5.298 . 0 0 "[ . 1 . 2]" 2
1164 1 27 CYS H 1 30 GLU QG . . 5.340 3.891 3.061 4.567 . 0 0 "[ . 1 . 2]" 2
1165 1 27 CYS HB2 1 30 GLU QG . . 5.220 3.734 3.004 4.255 . 0 0 "[ . 1 . 2]" 2
1166 1 27 CYS HB3 1 30 GLU QB . . 4.070 3.013 2.351 3.756 . 0 0 "[ . 1 . 2]" 2
1167 1 30 GLU QB 1 31 TRP HD1 . . 3.500 2.676 2.591 2.721 . 0 0 "[ . 1 . 2]" 2
1168 1 30 GLU QB 1 31 TRP HE1 . . 4.670 3.336 3.197 3.504 . 0 0 "[ . 1 . 2]" 2
1169 1 30 GLU QG 1 31 TRP H . . 4.660 4.381 4.287 4.439 . 0 0 "[ . 1 . 2]" 2
1170 1 30 GLU QG 1 31 TRP HD1 . . 4.630 4.340 4.217 4.453 . 0 0 "[ . 1 . 2]" 2
1171 1 30 GLU QG 1 31 TRP HE1 . . 5.340 4.672 4.216 5.234 . 0 0 "[ . 1 . 2]" 2
1172 1 35 GLY QA 1 36 CYS HA . . 4.530 4.027 4.023 4.031 . 0 0 "[ . 1 . 2]" 2
1173 1 37 VAL H 1 38 GLY QA . . 4.210 4.165 4.101 4.204 . 0 0 "[ . 1 . 2]" 2
1174 1 37 VAL MG1 1 50 PRO QG . . 3.730 2.941 2.765 3.055 . 0 0 "[ . 1 . 2]" 2
1175 1 39 LEU MD1 1 43 PRO QD . . 3.390 2.405 2.105 2.669 . 0 0 "[ . 1 . 2]" 2
1176 1 39 LEU MD2 1 43 PRO QD . . 3.850 2.858 2.227 3.145 . 0 0 "[ . 1 . 2]" 2
1177 1 42 ALA MB 1 43 PRO QD . . 3.150 2.646 2.495 2.822 . 0 0 "[ . 1 . 2]" 2
1178 1 44 LYS H 1 44 LYS QB . . 3.060 2.278 2.125 2.524 . 0 0 "[ . 1 . 2]" 2
1179 1 44 LYS H 1 44 LYS QG . . 3.620 2.822 2.205 3.687 0.067 10 0 "[ . 1 . 2]" 2
1180 1 44 LYS HA 1 44 LYS QG . . 3.120 2.315 2.143 2.706 . 0 0 "[ . 1 . 2]" 2
1181 1 44 LYS QB 1 45 GLY QA . . 4.450 3.507 3.442 3.543 . 0 0 "[ . 1 . 2]" 2
1182 1 44 LYS QG 1 45 GLY H . . 4.810 4.207 3.945 4.461 . 0 0 "[ . 1 . 2]" 2
1183 1 45 GLY QA 1 46 LYS H . . 2.770 2.185 2.120 2.237 . 0 0 "[ . 1 . 2]" 2
1184 1 45 GLY QA 1 46 LYS HB2 . . 4.800 4.290 4.232 4.361 . 0 0 "[ . 1 . 2]" 2
1185 1 46 LYS H 1 46 LYS QD . . 4.520 4.268 3.949 4.534 0.014 13 0 "[ . 1 . 2]" 2
1186 1 46 LYS HA 1 46 LYS QD . . 2.960 2.412 2.160 2.925 . 0 0 "[ . 1 . 2]" 2
1187 1 46 LYS QD 1 47 TRP H . . 3.560 3.490 3.261 3.584 0.024 19 0 "[ . 1 . 2]" 2
1188 1 46 LYS QD 1 48 TYR QE . . 5.250 3.905 3.609 4.377 . 0 0 "[ . 1 . 2]" 2
1189 1 50 PRO QG 1 51 GLN H . . 4.320 2.922 2.909 2.985 . 0 0 "[ . 1 . 2]" 2
1190 1 53 THR MG 1 57 LYS QB . . 4.110 3.753 3.433 4.026 . 0 0 "[ . 1 . 2]" 2
1191 1 53 THR MG 1 57 LYS QG . . 5.030 2.438 2.109 3.816 . 0 0 "[ . 1 . 2]" 2
1192 1 54 ALA H 1 57 LYS QB . . 5.030 4.840 4.675 4.983 . 0 0 "[ . 1 . 2]" 2
1193 1 54 ALA HA 1 57 LYS QB . . 3.380 2.807 2.664 2.868 . 0 0 "[ . 1 . 2]" 2
1194 1 54 ALA MB 1 57 LYS QB . . 4.200 4.187 4.086 4.218 0.018 15 0 "[ . 1 . 2]" 2
1195 1 55 ALA H 1 57 LYS QB . . 5.240 4.753 4.695 4.859 . 0 0 "[ . 1 . 2]" 2
1196 1 57 LYS H 1 57 LYS QB . . 2.830 2.186 2.156 2.231 . 0 0 "[ . 1 . 2]" 2
1197 1 57 LYS H 1 57 LYS QG . . 3.190 2.789 2.662 2.886 . 0 0 "[ . 1 . 2]" 2
1198 1 57 LYS QB 1 57 LYS QD . . 3.210 2.136 2.056 2.246 . 0 0 "[ . 1 . 2]" 2
1199 1 57 LYS QB 1 57 LYS QE . . 3.920 2.765 2.010 3.597 . 0 0 "[ . 1 . 2]" 2
1200 1 57 LYS QB 1 58 ARG H . . 4.100 2.557 2.396 2.722 . 0 0 "[ . 1 . 2]" 2
1201 1 57 LYS QE 1 57 LYS QG . . 2.870 2.202 2.070 2.390 . 0 0 "[ . 1 . 2]" 2
1202 1 58 ARG H 1 58 ARG QG . . 3.030 2.439 2.110 2.635 . 0 0 "[ . 1 . 2]" 2
1203 1 58 ARG HA 1 58 ARG QG . . 2.770 2.283 2.186 2.454 . 0 0 "[ . 1 . 2]" 2
1204 1 58 ARG QB 1 58 ARG QG . . 2.180 2.079 2.070 2.087 . 0 0 "[ . 1 . 2]" 2
1205 1 62 ARG QB 1 62 ARG QD . . 3.110 2.259 1.998 2.684 . 0 0 "[ . 1 . 2]" 2
1206 1 66 GLY QA 1 67 PRO QD . . 3.090 1.941 1.841 2.078 . 0 0 "[ . 1 . 2]" 2
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