NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
506173 |
1wfk   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfk
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 28
_Distance_constraint_stats_list.Viol_count 267
_Distance_constraint_stats_list.Viol_total 73.080
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0137
_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 12 CYS 0.047 0.006 6 0 "[ . 1 . 2]"
1 15 CYS 0.024 0.005 17 0 "[ . 1 . 2]"
1 28 CYS 0.927 0.029 18 0 "[ . 1 . 2]"
1 31 CYS 0.644 0.021 19 0 "[ . 1 . 2]"
1 36 CYS 0.089 0.007 20 0 "[ . 1 . 2]"
1 39 CYS 0.073 0.007 20 0 "[ . 1 . 2]"
1 57 CYS 2.507 0.041 7 0 "[ . 1 . 2]"
1 60 CYS 1.035 0.033 18 0 "[ . 1 . 2]"
2 1 ZN 0.017 0.005 17 0 "[ . 1 . 2]"
3 1 ZN 1.945 0.041 7 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 12 CYS SG 2 1 ZN ZN . 2.250 2.350 2.317 2.256 2.347 . 0 0 "[ . 1 . 2]" 1
2 1 15 CYS SG 2 1 ZN ZN . 2.250 2.350 2.265 2.248 2.303 0.002 5 0 "[ . 1 . 2]" 1
3 1 36 CYS SG 2 1 ZN ZN . 2.250 2.350 2.288 2.251 2.330 . 0 0 "[ . 1 . 2]" 1
4 1 39 CYS SG 2 1 ZN ZN . 2.250 2.350 2.279 2.248 2.318 0.002 14 0 "[ . 1 . 2]" 1
5 1 12 CYS CB 2 1 ZN ZN . 3.220 3.520 3.252 3.220 3.330 . 15 0 "[ . 1 . 2]" 1
6 1 15 CYS CB 2 1 ZN ZN . 3.220 3.520 3.513 3.460 3.525 0.005 17 0 "[ . 1 . 2]" 1
7 1 36 CYS CB 2 1 ZN ZN . 3.220 3.520 3.496 3.447 3.523 0.003 17 0 "[ . 1 . 2]" 1
8 1 39 CYS CB 2 1 ZN ZN . 3.220 3.520 3.272 3.220 3.320 . 0 0 "[ . 1 . 2]" 1
9 1 12 CYS SG 1 15 CYS SG . 3.650 3.850 3.725 3.652 3.828 . 0 0 "[ . 1 . 2]" 1
10 1 12 CYS SG 1 36 CYS SG . 3.650 3.850 3.842 3.805 3.856 0.006 6 0 "[ . 1 . 2]" 1
11 1 12 CYS SG 1 39 CYS SG . 3.650 3.850 3.669 3.645 3.726 0.005 19 0 "[ . 1 . 2]" 1
12 1 15 CYS SG 1 36 CYS SG . 3.650 3.850 3.679 3.645 3.738 0.005 6 0 "[ . 1 . 2]" 1
13 1 15 CYS SG 1 39 CYS SG . 3.650 3.850 3.837 3.794 3.853 0.003 9 0 "[ . 1 . 2]" 1
14 1 36 CYS SG 1 39 CYS SG . 3.650 3.850 3.649 3.643 3.673 0.007 20 0 "[ . 1 . 2]" 1
15 1 28 CYS SG 3 1 ZN ZN . 2.250 2.350 2.268 2.256 2.288 . 0 0 "[ . 1 . 2]" 1
16 1 31 CYS SG 3 1 ZN ZN . 2.250 2.350 2.355 2.350 2.362 0.012 1 0 "[ . 1 . 2]" 1
17 1 57 CYS SG 3 1 ZN ZN . 2.250 2.350 2.222 2.218 2.227 0.032 20 0 "[ . 1 . 2]" 1
18 1 60 CYS SG 3 1 ZN ZN . 2.250 2.350 2.365 2.357 2.370 0.020 16 0 "[ . 1 . 2]" 1
19 1 28 CYS CB 3 1 ZN ZN . 3.220 3.520 3.213 3.209 3.217 0.011 18 0 "[ . 1 . 2]" 1
20 1 31 CYS CB 3 1 ZN ZN . 3.220 3.520 3.401 3.354 3.454 . 0 0 "[ . 1 . 2]" 1
21 1 57 CYS CB 3 1 ZN ZN . 3.220 3.520 3.555 3.548 3.561 0.041 7 0 "[ . 1 . 2]" 1
22 1 60 CYS CB 3 1 ZN ZN . 3.220 3.520 3.213 3.208 3.227 0.012 18 0 "[ . 1 . 2]" 1
23 1 28 CYS SG 1 31 CYS SG . 3.650 3.850 3.635 3.629 3.642 0.021 19 0 "[ . 1 . 2]" 1
24 1 28 CYS SG 1 57 CYS SG . 3.650 3.850 3.875 3.869 3.879 0.029 18 0 "[ . 1 . 2]" 1
25 1 28 CYS SG 1 60 CYS SG . 3.650 3.850 3.840 3.820 3.851 0.001 15 0 "[ . 1 . 2]" 1
26 1 31 CYS SG 1 57 CYS SG . 3.650 3.850 3.859 3.856 3.863 0.013 18 0 "[ . 1 . 2]" 1
27 1 31 CYS SG 1 60 CYS SG . 3.650 3.850 3.651 3.641 3.687 0.009 10 0 "[ . 1 . 2]" 1
28 1 57 CYS SG 1 60 CYS SG . 3.650 3.850 3.623 3.617 3.628 0.033 18 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 8
_Distance_constraint_stats_list.Viol_count 112
_Distance_constraint_stats_list.Viol_total 1151.946
_Distance_constraint_stats_list.Viol_max 1.689
_Distance_constraint_stats_list.Viol_rms 0.5340
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3600
_Distance_constraint_stats_list.Viol_average_violations_only 0.5143
_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 24 LYS 0.450 0.064 4 0 "[ . 1 . 2]"
1 26 TYR 14.983 0.713 14 20 [*************+-*****]
1 27 GLY 14.036 0.713 14 20 [*************+-*****]
1 52 THR 35.651 1.689 12 20 [**********-+********]
1 53 GLN 39.206 1.689 12 20 [**********-+********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 LYS H 1 24 LYS HA . . 2.800 2.812 2.731 2.864 0.064 4 0 "[ . 1 . 2]" 2
2 1 26 TYR H 1 27 GLY H . . 3.800 4.502 4.484 4.513 0.713 14 20 [*************+-*****] 2
3 1 26 TYR QB 1 27 GLY H . . 2.500 2.459 2.434 2.503 0.003 13 0 "[ . 1 . 2]" 2
4 1 26 TYR H 1 26 TYR QB . . 2.500 2.438 2.417 2.482 . 0 0 "[ . 1 . 2]" 2
5 1 26 TYR H 1 26 TYR HA . . 2.900 2.947 2.946 2.948 0.048 19 0 "[ . 1 . 2]" 2
6 1 52 THR H 1 52 THR HA . . 2.800 2.948 2.945 2.949 0.149 18 0 "[ . 1 . 2]" 2
7 1 53 GLN H 1 53 GLN HA . . 2.500 2.826 2.806 2.851 0.351 20 0 "[ . 1 . 2]" 2
8 1 52 THR H 1 53 GLN H . . 2.800 4.435 4.395 4.489 1.689 12 20 [**********-+********] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1737
_Distance_constraint_stats_list.Viol_count 1678
_Distance_constraint_stats_list.Viol_total 2530.024
_Distance_constraint_stats_list.Viol_max 0.835
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0754
_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 8 MET 5.401 0.606 1 3 "[+ . -1 . *]"
1 9 GLU 0.162 0.026 14 0 "[ . 1 . 2]"
1 10 SER 7.451 0.709 16 3 "[ * . 1 *+ 2]"
1 11 ARG 9.349 0.606 1 4 "[+ . *1 .- *]"
1 12 CYS 1.821 0.150 19 0 "[ . 1 . 2]"
1 13 TYR 0.046 0.016 10 0 "[ . 1 . 2]"
1 14 GLY 2.330 0.164 20 0 "[ . 1 . 2]"
1 15 CYS 0.162 0.019 15 0 "[ . 1 . 2]"
1 16 ALA 0.417 0.049 15 0 "[ . 1 . 2]"
1 17 VAL 3.046 0.161 19 0 "[ . 1 . 2]"
1 18 LYS 0.532 0.188 17 0 "[ . 1 . 2]"
1 19 PHE 4.539 0.519 2 3 "[ + . 1 *- 2]"
1 20 THR 0.157 0.064 13 0 "[ . 1 . 2]"
1 21 LEU 3.786 0.288 18 0 "[ . 1 . 2]"
1 22 PHE 0.556 0.146 18 0 "[ . 1 . 2]"
1 23 LYS 0.572 0.150 17 0 "[ . 1 . 2]"
1 24 LYS 4.326 0.288 18 0 "[ . 1 . 2]"
1 25 GLU 0.377 0.034 10 0 "[ . 1 . 2]"
1 26 TYR 0.372 0.084 17 0 "[ . 1 . 2]"
1 27 GLY 0.328 0.027 10 0 "[ . 1 . 2]"
1 28 CYS 6.273 0.251 11 0 "[ . 1 . 2]"
1 29 LYS 14.233 0.251 11 0 "[ . 1 . 2]"
1 30 ASN 0.549 0.120 6 0 "[ . 1 . 2]"
1 31 CYS 1.444 0.111 18 0 "[ . 1 . 2]"
1 32 GLY 0.072 0.038 20 0 "[ . 1 . 2]"
1 33 ARG 4.593 0.157 6 0 "[ . 1 . 2]"
1 34 ALA 2.317 0.709 16 1 "[ . 1 .+ 2]"
1 35 PHE 10.258 0.216 10 0 "[ . 1 . 2]"
1 36 CYS 2.820 0.132 19 0 "[ . 1 . 2]"
1 37 ASN 0.701 0.082 15 0 "[ . 1 . 2]"
1 38 GLY 0.185 0.050 14 0 "[ . 1 . 2]"
1 39 CYS 9.379 0.216 10 0 "[ . 1 . 2]"
1 40 LEU 11.553 0.215 16 0 "[ . 1 . 2]"
1 41 SER 0.058 0.018 2 0 "[ . 1 . 2]"
1 42 PHE 0.824 0.097 18 0 "[ . 1 . 2]"
1 43 SER 0.472 0.098 19 0 "[ . 1 . 2]"
1 44 ALA 3.740 0.300 3 0 "[ . 1 . 2]"
1 45 LEU 5.474 0.351 19 0 "[ . 1 . 2]"
1 46 VAL 4.074 0.191 14 0 "[ . 1 . 2]"
1 47 PRO 2.283 0.161 11 0 "[ . 1 . 2]"
1 48 ARG 1.278 0.080 20 0 "[ . 1 . 2]"
1 49 ALA 2.414 0.161 11 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.245 0.068 7 0 "[ . 1 . 2]"
1 52 THR 2.946 0.263 14 0 "[ . 1 . 2]"
1 53 GLN 11.766 0.371 20 0 "[ . 1 . 2]"
1 54 GLN 4.842 0.211 20 0 "[ . 1 . 2]"
1 55 LYS 6.343 0.215 16 0 "[ . 1 . 2]"
1 56 VAL 1.127 0.066 17 0 "[ . 1 . 2]"
1 57 CYS 2.516 0.135 12 0 "[ . 1 . 2]"
1 58 LYS 1.108 0.097 18 0 "[ . 1 . 2]"
1 59 GLN 12.587 0.193 15 0 "[ . 1 . 2]"
1 60 CYS 0.431 0.071 6 0 "[ . 1 . 2]"
1 61 HIS 5.239 0.150 7 0 "[ . 1 . 2]"
1 62 THR 6.111 0.193 15 0 "[ . 1 . 2]"
1 63 ILE 9.799 0.571 18 7 "[ *. * ** -* + 2]"
1 64 LEU 1.776 0.124 7 0 "[ . 1 . 2]"
1 65 THR 2.361 0.124 7 0 "[ . 1 . 2]"
1 66 ARG 7.237 0.512 6 1 "[ .+ 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 6.211 0.571 18 7 "[ *. * ** -* + 2]"
1 72 ALA 0.005 0.005 14 0 "[ . 1 . 2]"
1 73 SER 0.005 0.005 14 0 "[ . 1 . 2]"
1 74 LYS 0.031 0.031 14 0 "[ . 1 . 2]"
1 75 TRP 0.320 0.118 15 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 1.075 0.303 5 0 "[ . 1 . 2]"
1 78 PRO 5.307 0.835 1 6 "[+ * . 1 * *- *]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 6.382 0.835 1 6 "[+ * . 1 * *- *]"
1 84 GLY 0.030 0.020 5 0 "[ . 1 . 2]"
1 85 PRO 0.030 0.020 5 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 28 CYS H 1 29 LYS H . . 5.200 4.560 4.553 4.568 . 0 0 "[ . 1 . 2]" 3
2 1 28 CYS H 1 34 ALA HA . . 4.160 3.861 3.769 3.972 . 0 0 "[ . 1 . 2]" 3
3 1 28 CYS H 1 32 GLY H . . 4.510 4.359 4.256 4.423 . 0 0 "[ . 1 . 2]" 3
4 1 28 CYS H 1 35 PHE QD . . 3.630 3.416 3.359 3.478 . 0 0 "[ . 1 . 2]" 3
5 1 28 CYS H 1 35 PHE QE . . 4.510 4.471 4.405 4.513 0.003 17 0 "[ . 1 . 2]" 3
6 1 18 LYS H 1 19 PHE H . . 4.680 4.546 4.443 4.587 . 0 0 "[ . 1 . 2]" 3
7 1 22 PHE H 1 23 LYS H . . 3.590 2.558 2.331 2.693 . 0 0 "[ . 1 . 2]" 3
8 1 23 LYS H 1 23 LYS HB2 . . 3.930 2.569 2.430 2.700 . 0 0 "[ . 1 . 2]" 3
9 1 23 LYS H 1 23 LYS HB3 . . 3.930 2.793 2.700 2.859 . 0 0 "[ . 1 . 2]" 3
10 1 23 LYS H 1 23 LYS HG2 . . 4.850 4.754 4.689 4.803 . 0 0 "[ . 1 . 2]" 3
11 1 23 LYS H 1 23 LYS HG3 . . 4.850 4.568 4.521 4.600 . 0 0 "[ . 1 . 2]" 3
12 1 20 THR MG 1 23 LYS H . . 4.890 4.202 4.096 4.422 . 0 0 "[ . 1 . 2]" 3
13 1 18 LYS H 1 18 LYS HB3 . . 3.150 2.666 2.400 2.799 . 0 0 "[ . 1 . 2]" 3
14 1 18 LYS H 1 18 LYS HB2 . . 3.020 2.430 2.281 2.831 . 0 0 "[ . 1 . 2]" 3
15 1 18 LYS H 1 18 LYS HG3 . . 4.850 4.401 4.245 4.631 . 0 0 "[ . 1 . 2]" 3
16 1 11 ARG HG2 1 18 LYS H . . 4.600 4.296 4.196 4.339 . 0 0 "[ . 1 . 2]" 3
17 1 17 VAL MG1 1 18 LYS H . . 4.090 3.783 3.488 3.949 . 0 0 "[ . 1 . 2]" 3
18 1 44 ALA H 1 56 VAL H . . 4.040 3.614 3.467 3.795 . 0 0 "[ . 1 . 2]" 3
19 1 44 ALA H 1 45 LEU H . . 4.320 4.298 4.232 4.328 0.008 3 0 "[ . 1 . 2]" 3
20 1 43 SER HA 1 44 ALA H . . 2.760 2.210 2.188 2.269 . 0 0 "[ . 1 . 2]" 3
21 1 44 ALA H 1 53 GLN HA . . 4.100 3.438 3.178 3.593 . 0 0 "[ . 1 . 2]" 3
22 1 44 ALA H 1 53 GLN HG2 . . 4.510 3.299 2.895 3.530 . 0 0 "[ . 1 . 2]" 3
23 1 44 ALA H 1 54 GLN HB2 . . 4.950 4.564 4.485 4.670 . 0 0 "[ . 1 . 2]" 3
24 1 44 ALA H 1 56 VAL MG1 . . 3.780 2.913 2.788 3.057 . 0 0 "[ . 1 . 2]" 3
25 1 44 ALA H 1 56 VAL MG2 . . 3.640 2.697 2.560 2.875 . 0 0 "[ . 1 . 2]" 3
26 1 44 ALA H 1 54 GLN HA . . 4.780 4.694 4.546 4.788 0.008 11 0 "[ . 1 . 2]" 3
27 1 44 ALA H 1 53 GLN HB3 . . 5.320 5.439 5.103 5.620 0.300 3 0 "[ . 1 . 2]" 3
28 1 45 LEU HB2 1 46 VAL H . . 4.890 4.325 4.260 4.386 . 0 0 "[ . 1 . 2]" 3
29 1 46 VAL H 1 54 GLN HB2 . . 5.310 4.455 4.232 4.624 . 0 0 "[ . 1 . 2]" 3
30 1 45 LEU HB3 1 46 VAL H . . 4.030 3.421 3.349 3.507 . 0 0 "[ . 1 . 2]" 3
31 1 25 GLU HG3 1 26 TYR H . . 4.550 3.326 2.905 4.277 . 0 0 "[ . 1 . 2]" 3
32 1 25 GLU QB 1 26 TYR H . . 4.480 3.713 3.652 3.767 . 0 0 "[ . 1 . 2]" 3
33 1 38 GLY HA3 1 40 LEU H . . 5.000 4.716 4.549 4.989 . 0 0 "[ . 1 . 2]" 3
34 1 35 PHE HB3 1 40 LEU H . . 4.150 2.958 2.795 3.122 . 0 0 "[ . 1 . 2]" 3
35 1 39 CYS HB3 1 40 LEU H . . 4.020 3.621 3.422 3.742 . 0 0 "[ . 1 . 2]" 3
36 1 39 CYS HB2 1 40 LEU H . . 3.980 2.677 2.519 2.844 . 0 0 "[ . 1 . 2]" 3
37 1 35 PHE HB2 1 40 LEU H . . 4.340 3.965 3.817 4.095 . 0 0 "[ . 1 . 2]" 3
38 1 40 LEU H 1 40 LEU HB2 . . 3.360 2.528 2.433 2.635 . 0 0 "[ . 1 . 2]" 3
39 1 40 LEU H 1 40 LEU HB3 . . 3.160 2.630 2.603 2.657 . 0 0 "[ . 1 . 2]" 3
40 1 40 LEU H 1 40 LEU MD2 . . 4.360 4.200 4.131 4.275 . 0 0 "[ . 1 . 2]" 3
41 1 40 LEU H 1 40 LEU MD1 . . 4.200 4.021 3.981 4.056 . 0 0 "[ . 1 . 2]" 3
42 1 36 CYS H 1 39 CYS H . . 4.370 3.401 3.354 3.462 . 0 0 "[ . 1 . 2]" 3
43 1 39 CYS H 1 40 LEU H . . 3.000 2.425 2.345 2.457 . 0 0 "[ . 1 . 2]" 3
44 1 35 PHE QD 1 39 CYS H . . 5.260 5.122 5.090 5.189 . 0 0 "[ . 1 . 2]" 3
45 1 36 CYS HB2 1 39 CYS H . . 4.740 4.131 4.079 4.164 . 0 0 "[ . 1 . 2]" 3
46 1 39 CYS H 1 39 CYS HB2 . . 3.190 2.393 2.366 2.412 . 0 0 "[ . 1 . 2]" 3
47 1 35 PHE HB2 1 39 CYS H . . 5.500 5.683 5.636 5.716 0.216 10 0 "[ . 1 . 2]" 3
48 1 11 ARG H 1 19 PHE H . . 5.500 5.104 4.992 5.198 . 0 0 "[ . 1 . 2]" 3
49 1 19 PHE H 1 19 PHE QD . . 3.760 3.104 3.043 3.192 . 0 0 "[ . 1 . 2]" 3
50 1 19 PHE H 1 19 PHE QE . . 4.810 4.518 4.424 4.667 . 0 0 "[ . 1 . 2]" 3
51 1 18 LYS HA 1 19 PHE H . . 2.910 2.161 2.141 2.204 . 0 0 "[ . 1 . 2]" 3
52 1 19 PHE H 1 19 PHE HB3 . . 3.930 3.605 3.592 3.633 . 0 0 "[ . 1 . 2]" 3
53 1 19 PHE H 1 19 PHE HB2 . . 3.460 2.494 2.440 2.538 . 0 0 "[ . 1 . 2]" 3
54 1 18 LYS HB2 1 19 PHE H . . 4.370 4.298 4.169 4.371 0.001 12 0 "[ . 1 . 2]" 3
55 1 18 LYS HG2 1 19 PHE H . . 4.350 2.799 2.637 3.004 . 0 0 "[ . 1 . 2]" 3
56 1 18 LYS HG3 1 19 PHE H . . 4.350 3.548 3.252 4.218 . 0 0 "[ . 1 . 2]" 3
57 1 11 ARG HG2 1 19 PHE H . . 4.730 3.996 3.773 4.196 . 0 0 "[ . 1 . 2]" 3
58 1 57 CYS H 1 60 CYS H . . 4.430 4.371 4.289 4.427 . 0 0 "[ . 1 . 2]" 3
59 1 60 CYS H 1 60 CYS HB2 . . 2.940 2.449 2.437 2.472 . 0 0 "[ . 1 . 2]" 3
60 1 60 CYS H 1 61 HIS HB3 . . 5.080 4.940 4.892 5.008 . 0 0 "[ . 1 . 2]" 3
61 1 59 GLN HB3 1 60 CYS H . . 3.370 1.841 1.817 1.859 . 0 0 "[ . 1 . 2]" 3
62 1 59 GLN HB2 1 60 CYS H . . 3.300 3.107 3.093 3.118 . 0 0 "[ . 1 . 2]" 3
63 1 60 CYS H 1 63 ILE HB . . 5.290 5.051 4.958 5.151 . 0 0 "[ . 1 . 2]" 3
64 1 60 CYS H 1 63 ILE HG13 . . 4.760 3.330 3.293 3.368 . 0 0 "[ . 1 . 2]" 3
65 1 57 CYS HB3 1 60 CYS H . . 5.120 5.002 4.979 5.030 . 0 0 "[ . 1 . 2]" 3
66 1 43 SER HA 1 54 GLN H . . 4.800 4.708 4.396 4.898 0.098 19 0 "[ . 1 . 2]" 3
67 1 54 GLN H 1 54 GLN HG2 . . 4.120 2.549 2.445 2.656 . 0 0 "[ . 1 . 2]" 3
68 1 54 GLN H 1 54 GLN HB3 . . 3.970 3.688 3.650 3.766 . 0 0 "[ . 1 . 2]" 3
69 1 54 GLN H 1 54 GLN HG3 . . 4.120 3.814 3.708 3.899 . 0 0 "[ . 1 . 2]" 3
70 1 54 GLN H 1 54 GLN HB2 . . 3.530 2.549 2.502 2.670 . 0 0 "[ . 1 . 2]" 3
71 1 44 ALA MB 1 54 GLN H . . 4.860 4.751 4.587 4.880 0.020 18 0 "[ . 1 . 2]" 3
72 1 48 ARG H 1 49 ALA H . . 4.350 2.291 1.984 2.535 . 0 0 "[ . 1 . 2]" 3
73 1 47 PRO HA 1 49 ALA H . . 4.300 4.382 4.307 4.461 0.161 11 0 "[ . 1 . 2]" 3
74 1 46 VAL HB 1 49 ALA H . . 3.950 2.693 2.474 2.854 . 0 0 "[ . 1 . 2]" 3
75 1 48 ARG HB3 1 49 ALA H . . 4.920 3.840 3.690 4.033 . 0 0 "[ . 1 . 2]" 3
76 1 48 ARG HG2 1 49 ALA H . . 4.740 4.760 4.459 4.810 0.070 2 0 "[ . 1 . 2]" 3
77 1 48 ARG HG3 1 49 ALA H . . 4.740 4.197 3.877 4.306 . 0 0 "[ . 1 . 2]" 3
78 1 46 VAL MG2 1 49 ALA H . . 4.820 4.217 4.077 4.313 . 0 0 "[ . 1 . 2]" 3
79 1 24 LYS H 1 26 TYR QE . . 4.330 4.169 3.947 4.395 0.065 17 0 "[ . 1 . 2]" 3
80 1 23 LYS HA 1 24 LYS H . . 2.870 2.265 2.163 2.472 . 0 0 "[ . 1 . 2]" 3
81 1 23 LYS HD2 1 24 LYS H . . 5.410 4.536 3.721 5.384 . 0 0 "[ . 1 . 2]" 3
82 1 23 LYS HD3 1 24 LYS H . . 5.410 4.412 3.903 5.174 . 0 0 "[ . 1 . 2]" 3
83 1 24 LYS H 1 24 LYS HB2 . . 3.130 2.466 2.352 2.658 . 0 0 "[ . 1 . 2]" 3
84 1 24 LYS H 1 24 LYS HG3 . . 3.510 2.965 2.300 3.487 . 0 0 "[ . 1 . 2]" 3
85 1 24 LYS H 1 24 LYS HG2 . . 3.930 2.631 2.113 2.848 . 0 0 "[ . 1 . 2]" 3
86 1 53 GLN H 1 53 GLN HB2 . . 3.460 2.416 2.383 2.479 . 0 0 "[ . 1 . 2]" 3
87 1 52 THR MG 1 53 GLN H . . 4.060 3.708 3.459 3.983 . 0 0 "[ . 1 . 2]" 3
88 1 12 CYS H 1 19 PHE H . . 5.150 4.920 4.729 5.140 . 0 0 "[ . 1 . 2]" 3
89 1 12 CYS H 1 19 PHE QE . . 4.560 4.258 4.168 4.377 . 0 0 "[ . 1 . 2]" 3
90 1 12 CYS H 1 19 PHE HZ . . 4.770 4.275 4.177 4.447 . 0 0 "[ . 1 . 2]" 3
91 1 12 CYS H 1 16 ALA HA . . 3.750 2.827 2.649 3.040 . 0 0 "[ . 1 . 2]" 3
92 1 11 ARG HB3 1 12 CYS H . . 3.560 2.014 1.966 2.111 . 0 0 "[ . 1 . 2]" 3
93 1 12 CYS H 1 17 VAL MG2 . . 4.920 4.947 4.764 5.070 0.150 19 0 "[ . 1 . 2]" 3
94 1 74 LYS HA 1 75 TRP H . . 3.330 2.262 2.140 2.628 . 0 0 "[ . 1 . 2]" 3
95 1 13 TYR QD 1 34 ALA H . . 4.100 3.805 3.761 3.905 . 0 0 "[ . 1 . 2]" 3
96 1 33 ARG HA 1 34 ALA H . . 2.810 2.448 2.410 2.493 . 0 0 "[ . 1 . 2]" 3
97 1 13 TYR HB2 1 34 ALA H . . 4.280 3.101 3.033 3.175 . 0 0 "[ . 1 . 2]" 3
98 1 33 ARG HD3 1 34 ALA H . . 4.950 4.908 4.860 4.953 0.003 10 0 "[ . 1 . 2]" 3
99 1 33 ARG HD2 1 34 ALA H . . 5.330 5.288 5.214 5.333 0.003 18 0 "[ . 1 . 2]" 3
100 1 33 ARG HB2 1 34 ALA H . . 3.530 3.475 3.396 3.535 0.005 12 0 "[ . 1 . 2]" 3
101 1 34 ALA H 1 34 ALA MB . . 2.700 2.161 2.096 2.299 . 0 0 "[ . 1 . 2]" 3
102 1 33 ARG HG2 1 34 ALA H . . 4.180 4.121 4.065 4.179 . 0 0 "[ . 1 . 2]" 3
103 1 33 ARG HB3 1 34 ALA H . . 3.140 2.349 2.258 2.433 . 0 0 "[ . 1 . 2]" 3
104 1 16 ALA HA 1 17 VAL H . . 3.560 2.973 2.952 2.990 . 0 0 "[ . 1 . 2]" 3
105 1 75 TRP H 1 75 TRP HB2 . . 3.990 3.131 2.425 3.998 0.008 11 0 "[ . 1 . 2]" 3
106 1 75 TRP H 1 75 TRP HB3 . . 3.990 2.741 2.330 3.129 . 0 0 "[ . 1 . 2]" 3
107 1 12 CYS HB3 1 17 VAL H . . 3.120 1.895 1.883 1.907 . 0 0 "[ . 1 . 2]" 3
108 1 12 CYS HB2 1 17 VAL H . . 3.600 3.269 3.220 3.323 . 0 0 "[ . 1 . 2]" 3
109 1 15 CYS HB3 1 17 VAL H . . 4.670 4.655 4.600 4.689 0.019 15 0 "[ . 1 . 2]" 3
110 1 17 VAL H 1 17 VAL HB . . 2.790 2.582 2.480 2.655 . 0 0 "[ . 1 . 2]" 3
111 1 17 VAL H 1 17 VAL MG2 . . 3.790 3.787 3.768 3.796 0.006 2 0 "[ . 1 . 2]" 3
112 1 17 VAL H 1 17 VAL MG1 . . 2.920 2.131 1.984 2.396 . 0 0 "[ . 1 . 2]" 3
113 1 64 LEU H 1 66 ARG H . . 4.440 3.902 3.828 4.015 . 0 0 "[ . 1 . 2]" 3
114 1 66 ARG H 1 67 GLY H . . 4.330 2.525 2.202 2.924 . 0 0 "[ . 1 . 2]" 3
115 1 65 THR HB 1 66 ARG H . . 4.170 3.968 3.706 4.262 0.092 10 0 "[ . 1 . 2]" 3
116 1 62 THR HA 1 66 ARG H . . 4.410 3.983 3.708 4.383 . 0 0 "[ . 1 . 2]" 3
117 1 66 ARG H 1 66 ARG QD . . 4.550 4.105 3.811 4.416 . 0 0 "[ . 1 . 2]" 3
118 1 66 ARG H 1 66 ARG QB . . 2.930 2.314 2.149 2.493 . 0 0 "[ . 1 . 2]" 3
119 1 66 ARG H 1 66 ARG HG2 . . 4.120 2.933 2.431 3.979 . 0 0 "[ . 1 . 2]" 3
120 1 65 THR MG 1 66 ARG H . . 4.310 4.098 3.992 4.204 . 0 0 "[ . 1 . 2]" 3
121 1 63 ILE HA 1 66 ARG H . . 4.240 3.341 3.215 3.584 . 0 0 "[ . 1 . 2]" 3
122 1 14 GLY H 1 16 ALA H . . 4.020 2.542 2.509 2.569 . 0 0 "[ . 1 . 2]" 3
123 1 14 GLY HA3 1 16 ALA H . . 4.470 4.391 4.365 4.422 . 0 0 "[ . 1 . 2]" 3
124 1 16 ALA H 1 16 ALA HA . . 2.620 2.284 2.278 2.288 . 0 0 "[ . 1 . 2]" 3
125 1 13 TYR HA 1 16 ALA H . . 4.640 4.288 4.234 4.357 . 0 0 "[ . 1 . 2]" 3
126 1 15 CYS HB2 1 16 ALA H . . 4.480 4.136 4.096 4.192 . 0 0 "[ . 1 . 2]" 3
127 1 12 CYS HB3 1 16 ALA H . . 3.420 2.435 2.314 2.537 . 0 0 "[ . 1 . 2]" 3
128 1 11 ARG HB3 1 16 ALA H . . 4.590 4.527 4.403 4.612 0.022 6 0 "[ . 1 . 2]" 3
129 1 16 ALA H 1 17 VAL MG1 . . 4.330 3.924 3.790 4.140 . 0 0 "[ . 1 . 2]" 3
130 1 8 MET H 1 9 GLU H . . 4.630 3.781 2.660 4.440 . 0 0 "[ . 1 . 2]" 3
131 1 9 GLU H 1 9 GLU HG2 . . 4.340 3.784 2.974 4.321 . 0 0 "[ . 1 . 2]" 3
132 1 9 GLU H 1 9 GLU HB2 . . 4.030 2.393 2.189 2.832 . 0 0 "[ . 1 . 2]" 3
133 1 9 GLU H 1 9 GLU HB3 . . 4.030 3.598 3.481 3.832 . 0 0 "[ . 1 . 2]" 3
134 1 9 GLU H 1 9 GLU HG3 . . 4.340 3.488 2.505 4.306 . 0 0 "[ . 1 . 2]" 3
135 1 11 ARG H 1 19 PHE QD . . 4.480 4.316 4.098 4.467 . 0 0 "[ . 1 . 2]" 3
136 1 10 SER HA 1 11 ARG H . . 2.670 2.158 2.143 2.187 . 0 0 "[ . 1 . 2]" 3
137 1 10 SER HB3 1 11 ARG H . . 3.890 3.862 3.614 4.408 0.518 16 1 "[ . 1 .+ 2]" 3
138 1 14 GLY H 1 15 CYS H . . 3.060 1.941 1.901 1.978 . 0 0 "[ . 1 . 2]" 3
139 1 15 CYS H 1 17 VAL H . . 3.870 3.373 3.335 3.399 . 0 0 "[ . 1 . 2]" 3
140 1 12 CYS H 1 15 CYS H . . 4.860 4.757 4.630 4.822 . 0 0 "[ . 1 . 2]" 3
141 1 15 CYS H 1 16 ALA H . . 2.710 1.832 1.800 1.880 . 0 0 "[ . 1 . 2]" 3
142 1 15 CYS H 1 35 PHE QD . . 4.450 4.424 4.377 4.458 0.008 14 0 "[ . 1 . 2]" 3
143 1 15 CYS H 1 35 PHE QE . . 5.470 5.107 5.045 5.165 . 0 0 "[ . 1 . 2]" 3
144 1 14 GLY HA3 1 15 CYS H . . 3.160 2.812 2.784 2.842 . 0 0 "[ . 1 . 2]" 3
145 1 15 CYS H 1 16 ALA HA . . 4.180 4.092 4.047 4.144 . 0 0 "[ . 1 . 2]" 3
146 1 12 CYS HA 1 15 CYS H . . 4.910 4.830 4.758 4.903 . 0 0 "[ . 1 . 2]" 3
147 1 15 CYS H 1 15 CYS HB2 . . 3.830 3.764 3.739 3.790 . 0 0 "[ . 1 . 2]" 3
148 1 12 CYS HB3 1 15 CYS H . . 3.500 2.734 2.678 2.801 . 0 0 "[ . 1 . 2]" 3
149 1 12 CYS HB2 1 15 CYS H . . 4.110 4.104 4.077 4.128 0.018 6 0 "[ . 1 . 2]" 3
150 1 15 CYS H 1 15 CYS HB3 . . 3.540 3.188 3.125 3.215 . 0 0 "[ . 1 . 2]" 3
151 1 15 CYS H 1 16 ALA MB . . 4.440 4.267 4.231 4.322 . 0 0 "[ . 1 . 2]" 3
152 1 15 CYS H 1 17 VAL MG1 . . 4.490 3.992 3.856 4.175 . 0 0 "[ . 1 . 2]" 3
153 1 11 ARG H 1 19 PHE QE . . 4.240 3.814 3.493 4.008 . 0 0 "[ . 1 . 2]" 3
154 1 11 ARG H 1 11 ARG HG3 . . 3.790 3.018 2.869 3.187 . 0 0 "[ . 1 . 2]" 3
155 1 11 ARG H 1 11 ARG HB2 . . 3.300 2.599 2.535 2.679 . 0 0 "[ . 1 . 2]" 3
156 1 28 CYS H 1 33 ARG H . . 4.270 3.059 2.947 3.124 . 0 0 "[ . 1 . 2]" 3
157 1 31 CYS H 1 33 ARG H . . 4.550 4.530 4.506 4.555 0.005 11 0 "[ . 1 . 2]" 3
158 1 33 ARG H 1 35 PHE QD . . 4.500 3.940 3.874 3.988 . 0 0 "[ . 1 . 2]" 3
159 1 33 ARG H 1 35 PHE QE . . 3.910 3.074 3.021 3.147 . 0 0 "[ . 1 . 2]" 3
160 1 31 CYS HB2 1 33 ARG H . . 4.280 4.294 4.284 4.309 0.029 6 0 "[ . 1 . 2]" 3
161 1 33 ARG H 1 33 ARG HD3 . . 5.110 5.197 5.136 5.260 0.150 4 0 "[ . 1 . 2]" 3
162 1 33 ARG H 1 33 ARG HD2 . . 4.540 4.305 4.177 4.489 . 0 0 "[ . 1 . 2]" 3
163 1 33 ARG H 1 33 ARG HB2 . . 3.290 2.628 2.606 2.647 . 0 0 "[ . 1 . 2]" 3
164 1 33 ARG H 1 33 ARG HG3 . . 3.370 2.777 2.728 2.813 . 0 0 "[ . 1 . 2]" 3
165 1 33 ARG H 1 33 ARG HG2 . . 3.880 3.945 3.816 4.037 0.157 6 0 "[ . 1 . 2]" 3
166 1 33 ARG H 1 33 ARG HB3 . . 3.890 3.757 3.746 3.763 . 0 0 "[ . 1 . 2]" 3
167 1 45 LEU H 1 45 LEU HB2 . . 2.970 2.425 2.368 2.511 . 0 0 "[ . 1 . 2]" 3
168 1 45 LEU H 1 45 LEU HG . . 3.240 2.485 2.329 2.585 . 0 0 "[ . 1 . 2]" 3
169 1 44 ALA MB 1 45 LEU H . . 2.830 2.701 2.606 2.768 . 0 0 "[ . 1 . 2]" 3
170 1 45 LEU H 1 45 LEU QD . . 3.850 2.820 2.629 2.959 . 0 0 "[ . 1 . 2]" 3
171 1 45 LEU H 1 65 THR MG . . 4.840 4.841 4.645 4.901 0.061 8 0 "[ . 1 . 2]" 3
172 1 42 PHE H 1 42 PHE QE . . 4.690 4.540 4.426 4.629 . 0 0 "[ . 1 . 2]" 3
173 1 41 SER H 1 42 PHE H . . 3.040 2.638 2.581 2.677 . 0 0 "[ . 1 . 2]" 3
174 1 42 PHE H 1 42 PHE QD . . 3.150 2.554 2.352 2.697 . 0 0 "[ . 1 . 2]" 3
175 1 42 PHE H 1 55 LYS HA . . 4.550 4.416 4.328 4.557 0.007 19 0 "[ . 1 . 2]" 3
176 1 40 LEU HA 1 42 PHE H . . 3.760 3.318 3.256 3.373 . 0 0 "[ . 1 . 2]" 3
177 1 41 SER HA 1 42 PHE H . . 3.320 2.888 2.857 2.929 . 0 0 "[ . 1 . 2]" 3
178 1 41 SER HB2 1 42 PHE H . . 4.610 4.493 4.435 4.542 . 0 0 "[ . 1 . 2]" 3
179 1 42 PHE H 1 42 PHE HB2 . . 3.170 2.839 2.805 2.874 . 0 0 "[ . 1 . 2]" 3
180 1 42 PHE H 1 56 VAL MG2 . . 4.210 4.149 4.096 4.180 . 0 0 "[ . 1 . 2]" 3
181 1 75 TRP HA 1 76 SER H . . 2.980 2.191 2.140 2.398 . 0 0 "[ . 1 . 2]" 3
182 1 75 TRP HB2 1 76 SER H . . 5.020 4.003 2.817 4.527 . 0 0 "[ . 1 . 2]" 3
183 1 75 TRP HB3 1 76 SER H . . 5.020 4.197 3.751 4.568 . 0 0 "[ . 1 . 2]" 3
184 1 63 ILE H 1 64 LEU H . . 3.140 2.709 2.616 2.803 . 0 0 "[ . 1 . 2]" 3
185 1 62 THR HB 1 63 ILE H . . 3.100 2.713 2.597 2.810 . 0 0 "[ . 1 . 2]" 3
186 1 59 GLN HA 1 63 ILE H . . 4.250 4.069 4.010 4.116 . 0 0 "[ . 1 . 2]" 3
187 1 60 CYS HA 1 63 ILE H . . 3.430 3.111 3.061 3.191 . 0 0 "[ . 1 . 2]" 3
188 1 59 GLN QG 1 63 ILE H . . 4.570 4.330 4.253 4.406 . 0 0 "[ . 1 . 2]" 3
189 1 63 ILE H 1 63 ILE HB . . 2.890 2.816 2.757 2.868 . 0 0 "[ . 1 . 2]" 3
190 1 63 ILE H 1 63 ILE HG13 . . 3.050 2.095 1.954 2.195 . 0 0 "[ . 1 . 2]" 3
191 1 63 ILE H 1 63 ILE HG12 . . 3.230 2.345 2.220 2.536 . 0 0 "[ . 1 . 2]" 3
192 1 35 PHE QD 1 36 CYS H . . 4.160 3.408 3.382 3.457 . 0 0 "[ . 1 . 2]" 3
193 1 19 PHE QE 1 36 CYS H . . 4.040 3.207 3.004 3.361 . 0 0 "[ . 1 . 2]" 3
194 1 19 PHE HZ 1 36 CYS H . . 4.260 3.935 3.721 4.174 . 0 0 "[ . 1 . 2]" 3
195 1 12 CYS HA 1 36 CYS H . . 4.330 4.023 3.895 4.085 . 0 0 "[ . 1 . 2]" 3
196 1 35 PHE HB3 1 36 CYS H . . 3.420 2.519 2.430 2.638 . 0 0 "[ . 1 . 2]" 3
197 1 36 CYS H 1 39 CYS HB3 . . 4.010 4.084 3.991 4.142 0.132 19 0 "[ . 1 . 2]" 3
198 1 12 CYS HB2 1 36 CYS H . . 3.670 3.119 2.915 3.213 . 0 0 "[ . 1 . 2]" 3
199 1 35 PHE HB2 1 36 CYS H . . 4.040 3.787 3.718 3.870 . 0 0 "[ . 1 . 2]" 3
200 1 61 HIS H 1 63 ILE H . . 4.620 4.239 4.162 4.329 . 0 0 "[ . 1 . 2]" 3
201 1 60 CYS HB2 1 61 HIS H . . 3.580 2.419 2.387 2.456 . 0 0 "[ . 1 . 2]" 3
202 1 61 HIS H 1 61 HIS HB3 . . 3.080 2.357 2.319 2.416 . 0 0 "[ . 1 . 2]" 3
203 1 61 HIS H 1 61 HIS HB2 . . 3.060 2.744 2.681 2.782 . 0 0 "[ . 1 . 2]" 3
204 1 42 PHE HB3 1 61 HIS H . . 5.110 5.027 4.971 5.070 . 0 0 "[ . 1 . 2]" 3
205 1 60 CYS HB3 1 61 HIS H . . 3.890 3.174 3.121 3.237 . 0 0 "[ . 1 . 2]" 3
206 1 56 VAL HB 1 61 HIS H . . 4.340 3.433 3.375 3.500 . 0 0 "[ . 1 . 2]" 3
207 1 54 GLN HA 1 55 LYS H . . 2.720 2.365 2.335 2.391 . 0 0 "[ . 1 . 2]" 3
208 1 54 GLN HG2 1 55 LYS H . . 4.960 4.852 4.811 4.903 . 0 0 "[ . 1 . 2]" 3
209 1 54 GLN HB3 1 55 LYS H . . 3.260 2.527 2.473 2.600 . 0 0 "[ . 1 . 2]" 3
210 1 55 LYS H 1 55 LYS HB2 . . 2.940 2.436 2.402 2.480 . 0 0 "[ . 1 . 2]" 3
211 1 55 LYS H 1 55 LYS HB3 . . 3.750 3.585 3.580 3.591 . 0 0 "[ . 1 . 2]" 3
212 1 55 LYS H 1 55 LYS HG2 . . 3.530 2.299 2.213 2.371 . 0 0 "[ . 1 . 2]" 3
213 1 55 LYS H 1 56 VAL MG1 . . 4.350 4.239 4.216 4.271 . 0 0 "[ . 1 . 2]" 3
214 1 57 CYS H 1 58 LYS H . . 4.620 4.620 4.610 4.625 0.005 20 0 "[ . 1 . 2]" 3
215 1 42 PHE QD 1 58 LYS H . . 4.160 2.807 2.645 3.020 . 0 0 "[ . 1 . 2]" 3
216 1 35 PHE QE 1 58 LYS H . . 5.500 5.324 5.281 5.351 . 0 0 "[ . 1 . 2]" 3
217 1 42 PHE QE 1 58 LYS H . . 4.080 3.061 2.860 3.218 . 0 0 "[ . 1 . 2]" 3
218 1 58 LYS H 1 58 LYS HB2 . . 3.690 2.551 2.539 2.558 . 0 0 "[ . 1 . 2]" 3
219 1 59 GLN H 1 60 CYS H . . 3.360 3.343 3.330 3.358 . 0 0 "[ . 1 . 2]" 3
220 1 59 GLN H 1 61 HIS H . . 4.460 4.519 4.459 4.571 0.111 7 0 "[ . 1 . 2]" 3
221 1 58 LYS H 1 59 GLN H . . 3.270 3.270 3.232 3.285 0.015 2 0 "[ . 1 . 2]" 3
222 1 57 CYS HA 1 59 GLN H . . 4.940 4.865 4.842 4.913 . 0 0 "[ . 1 . 2]" 3
223 1 59 GLN H 1 59 GLN HB3 . . 3.270 3.129 3.122 3.136 . 0 0 "[ . 1 . 2]" 3
224 1 59 GLN H 1 59 GLN HB2 . . 3.140 2.128 2.125 2.131 . 0 0 "[ . 1 . 2]" 3
225 1 57 CYS HB3 1 59 GLN H . . 5.040 5.160 5.150 5.175 0.135 12 0 "[ . 1 . 2]" 3
226 1 58 LYS HG2 1 59 GLN H . . 4.390 3.661 3.620 3.694 . 0 0 "[ . 1 . 2]" 3
227 1 58 LYS HG3 1 59 GLN H . . 4.390 2.976 2.959 2.999 . 0 0 "[ . 1 . 2]" 3
228 1 35 PHE H 1 35 PHE QD . . 3.840 3.355 3.311 3.398 . 0 0 "[ . 1 . 2]" 3
229 1 35 PHE H 1 35 PHE HB3 . . 4.050 3.794 3.773 3.810 . 0 0 "[ . 1 . 2]" 3
230 1 26 TYR H 1 35 PHE H . . 3.960 3.266 3.144 3.393 . 0 0 "[ . 1 . 2]" 3
231 1 19 PHE HZ 1 35 PHE H . . 4.460 3.500 3.331 3.627 . 0 0 "[ . 1 . 2]" 3
232 1 26 TYR QB 1 35 PHE H . . 4.820 3.455 3.374 3.593 . 0 0 "[ . 1 . 2]" 3
233 1 35 PHE H 1 35 PHE HB2 . . 3.700 2.680 2.643 2.712 . 0 0 "[ . 1 . 2]" 3
234 1 61 HIS HA 1 64 LEU H . . 4.160 4.046 3.960 4.157 . 0 0 "[ . 1 . 2]" 3
235 1 63 ILE HB 1 64 LEU H . . 3.310 2.580 2.349 2.767 . 0 0 "[ . 1 . 2]" 3
236 1 64 LEU H 1 64 LEU HB2 . . 3.210 2.443 2.388 2.518 . 0 0 "[ . 1 . 2]" 3
237 1 64 LEU H 1 64 LEU QD . . 3.660 3.110 3.015 3.229 . 0 0 "[ . 1 . 2]" 3
238 1 28 CYS HB2 1 57 CYS H . . 4.390 3.382 3.322 3.470 . 0 0 "[ . 1 . 2]" 3
239 1 24 LYS HB3 1 25 GLU H . . 3.760 2.333 2.157 2.511 . 0 0 "[ . 1 . 2]" 3
240 1 25 GLU H 1 25 GLU HG2 . . 4.980 4.362 4.235 4.562 . 0 0 "[ . 1 . 2]" 3
241 1 25 GLU H 1 25 GLU QB . . 3.420 2.373 2.322 2.434 . 0 0 "[ . 1 . 2]" 3
242 1 29 LYS H 1 30 ASN H . . 2.870 2.109 2.033 2.210 . 0 0 "[ . 1 . 2]" 3
243 1 30 ASN H 1 57 CYS H . . 5.380 5.070 5.014 5.146 . 0 0 "[ . 1 . 2]" 3
244 1 30 ASN H 1 56 VAL HA . . 4.420 4.249 4.189 4.323 . 0 0 "[ . 1 . 2]" 3
245 1 28 CYS HA 1 30 ASN H . . 4.480 4.381 4.328 4.481 0.001 10 0 "[ . 1 . 2]" 3
246 1 30 ASN H 1 30 ASN HB3 . . 3.190 2.571 2.557 2.589 . 0 0 "[ . 1 . 2]" 3
247 1 30 ASN H 1 60 CYS HB3 . . 4.640 4.481 4.420 4.523 . 0 0 "[ . 1 . 2]" 3
248 1 30 ASN H 1 56 VAL HB . . 4.480 3.951 3.897 4.040 . 0 0 "[ . 1 . 2]" 3
249 1 30 ASN H 1 30 ASN HB2 . . 3.130 2.504 2.480 2.526 . 0 0 "[ . 1 . 2]" 3
250 1 29 LYS HB2 1 30 ASN H . . 4.030 2.671 2.582 2.747 . 0 0 "[ . 1 . 2]" 3
251 1 29 LYS HB3 1 30 ASN H . . 3.970 3.483 3.382 3.547 . 0 0 "[ . 1 . 2]" 3
252 1 29 LYS HG2 1 30 ASN H . . 4.600 4.523 4.424 4.557 . 0 0 "[ . 1 . 2]" 3
253 1 30 ASN H 1 46 VAL MG1 . . 4.170 2.761 2.544 2.863 . 0 0 "[ . 1 . 2]" 3
254 1 30 ASN H 1 56 VAL MG1 . . 3.270 2.340 2.249 2.415 . 0 0 "[ . 1 . 2]" 3
255 1 30 ASN HD22 1 31 CYS H . . 4.560 4.077 4.010 4.147 . 0 0 "[ . 1 . 2]" 3
256 1 31 CYS H 1 46 VAL MG1 . . 4.900 4.617 4.498 4.757 . 0 0 "[ . 1 . 2]" 3
257 1 31 CYS H 1 56 VAL MG1 . . 4.550 4.308 4.220 4.365 . 0 0 "[ . 1 . 2]" 3
258 1 30 ASN H 1 31 CYS H . . 3.130 3.021 2.971 3.068 . 0 0 "[ . 1 . 2]" 3
259 1 30 ASN HD21 1 31 CYS H . . 3.920 2.452 2.358 2.523 . 0 0 "[ . 1 . 2]" 3
260 1 31 CYS H 1 32 GLY HA3 . . 5.280 5.093 5.063 5.115 . 0 0 "[ . 1 . 2]" 3
261 1 30 ASN HB3 1 31 CYS H . . 3.130 1.897 1.877 1.940 . 0 0 "[ . 1 . 2]" 3
262 1 31 CYS H 1 31 CYS HB2 . . 3.870 3.599 3.595 3.604 . 0 0 "[ . 1 . 2]" 3
263 1 28 CYS HB2 1 31 CYS H . . 4.940 4.788 4.743 4.827 . 0 0 "[ . 1 . 2]" 3
264 1 31 CYS H 1 31 CYS HB3 . . 3.690 2.506 2.485 2.540 . 0 0 "[ . 1 . 2]" 3
265 1 30 ASN HB2 1 31 CYS H . . 3.540 3.460 3.447 3.488 . 0 0 "[ . 1 . 2]" 3
266 1 60 CYS H 1 62 THR H . . 4.490 4.199 4.166 4.239 . 0 0 "[ . 1 . 2]" 3
267 1 61 HIS H 1 62 THR H . . 3.110 2.846 2.817 2.870 . 0 0 "[ . 1 . 2]" 3
268 1 62 THR H 1 64 LEU H . . 4.660 3.989 3.860 4.200 . 0 0 "[ . 1 . 2]" 3
269 1 62 THR H 1 63 ILE H . . 3.160 2.345 2.291 2.416 . 0 0 "[ . 1 . 2]" 3
270 1 62 THR H 1 62 THR HB . . 2.890 2.397 2.376 2.465 . 0 0 "[ . 1 . 2]" 3
271 1 59 GLN HA 1 62 THR H . . 3.650 3.627 3.597 3.651 0.001 7 0 "[ . 1 . 2]" 3
272 1 60 CYS HA 1 62 THR H . . 4.610 4.024 3.974 4.075 . 0 0 "[ . 1 . 2]" 3
273 1 61 HIS HB3 1 62 THR H . . 3.270 2.886 2.826 2.933 . 0 0 "[ . 1 . 2]" 3
274 1 62 THR H 1 63 ILE HB . . 5.010 4.858 4.796 4.925 . 0 0 "[ . 1 . 2]" 3
275 1 62 THR H 1 63 ILE HG13 . . 4.870 3.689 3.562 3.737 . 0 0 "[ . 1 . 2]" 3
276 1 56 VAL MG2 1 62 THR H . . 4.490 4.366 4.321 4.400 . 0 0 "[ . 1 . 2]" 3
277 1 43 SER H 1 44 ALA H . . 4.630 4.353 4.329 4.405 . 0 0 "[ . 1 . 2]" 3
278 1 42 PHE H 1 43 SER H . . 4.510 4.450 4.439 4.466 . 0 0 "[ . 1 . 2]" 3
279 1 43 SER H 1 61 HIS HD2 . . 3.680 2.385 2.233 2.521 . 0 0 "[ . 1 . 2]" 3
280 1 42 PHE QD 1 43 SER H . . 4.360 4.126 4.090 4.173 . 0 0 "[ . 1 . 2]" 3
281 1 42 PHE HA 1 43 SER H . . 2.760 2.376 2.339 2.407 . 0 0 "[ . 1 . 2]" 3
282 1 43 SER H 1 43 SER QB . . 3.300 2.925 2.866 3.000 . 0 0 "[ . 1 . 2]" 3
283 1 42 PHE HB2 1 43 SER H . . 3.750 3.499 3.420 3.590 . 0 0 "[ . 1 . 2]" 3
284 1 42 PHE HB3 1 43 SER H . . 3.390 2.554 2.488 2.630 . 0 0 "[ . 1 . 2]" 3
285 1 43 SER H 1 56 VAL MG2 . . 4.120 3.678 3.602 3.764 . 0 0 "[ . 1 . 2]" 3
286 1 30 ASN HD21 1 64 LEU QD . . 4.220 3.834 3.715 3.928 . 0 0 "[ . 1 . 2]" 3
287 1 30 ASN HB3 1 30 ASN HD22 . . 3.840 3.471 3.461 3.483 . 0 0 "[ . 1 . 2]" 3
288 1 30 ASN HD22 1 60 CYS HB3 . . 4.730 4.535 4.512 4.566 . 0 0 "[ . 1 . 2]" 3
289 1 47 PRO HB2 1 48 ARG H . . 4.010 3.794 3.573 4.011 0.001 20 0 "[ . 1 . 2]" 3
290 1 12 CYS H 1 13 TYR H . . 4.630 4.570 4.552 4.591 . 0 0 "[ . 1 . 2]" 3
291 1 13 TYR H 1 35 PHE QD . . 4.540 3.319 3.244 3.393 . 0 0 "[ . 1 . 2]" 3
292 1 13 TYR H 1 35 PHE QE . . 5.070 4.055 3.983 4.151 . 0 0 "[ . 1 . 2]" 3
293 1 13 TYR H 1 19 PHE QE . . 4.920 4.652 4.521 4.776 . 0 0 "[ . 1 . 2]" 3
294 1 13 TYR H 1 19 PHE HZ . . 4.100 3.655 3.507 3.806 . 0 0 "[ . 1 . 2]" 3
295 1 13 TYR H 1 13 TYR HB2 . . 3.070 2.402 2.363 2.435 . 0 0 "[ . 1 . 2]" 3
296 1 12 CYS HB2 1 13 TYR H . . 4.300 3.962 3.901 4.009 . 0 0 "[ . 1 . 2]" 3
297 1 13 TYR H 1 13 TYR HB3 . . 3.210 2.859 2.850 2.871 . 0 0 "[ . 1 . 2]" 3
298 1 13 TYR H 1 34 ALA MB . . 4.260 3.763 3.647 3.881 . 0 0 "[ . 1 . 2]" 3
299 1 55 LYS HB2 1 56 VAL H . . 4.530 4.410 4.357 4.447 . 0 0 "[ . 1 . 2]" 3
300 1 56 VAL H 1 57 CYS H . . 4.600 4.499 4.488 4.510 . 0 0 "[ . 1 . 2]" 3
301 1 42 PHE H 1 56 VAL H . . 3.900 3.852 3.766 3.913 0.013 3 0 "[ . 1 . 2]" 3
302 1 42 PHE HB2 1 56 VAL H . . 4.370 3.792 3.708 3.861 . 0 0 "[ . 1 . 2]" 3
303 1 42 PHE HB3 1 56 VAL H . . 4.920 4.778 4.723 4.819 . 0 0 "[ . 1 . 2]" 3
304 1 55 LYS HB3 1 56 VAL H . . 3.820 3.666 3.580 3.756 . 0 0 "[ . 1 . 2]" 3
305 1 55 LYS QD 1 56 VAL H . . 4.340 3.739 3.663 3.860 . 0 0 "[ . 1 . 2]" 3
306 1 55 LYS HG2 1 56 VAL H . . 5.280 5.051 5.012 5.082 . 0 0 "[ . 1 . 2]" 3
307 1 20 THR H 1 23 LYS H . . 4.250 2.854 2.676 3.004 . 0 0 "[ . 1 . 2]" 3
308 1 19 PHE QD 1 20 THR H . . 4.190 3.926 3.755 4.109 . 0 0 "[ . 1 . 2]" 3
309 1 19 PHE HB3 1 20 THR H . . 4.070 3.426 3.063 3.817 . 0 0 "[ . 1 . 2]" 3
310 1 19 PHE HB2 1 20 THR H . . 4.460 4.255 4.021 4.427 . 0 0 "[ . 1 . 2]" 3
311 1 20 THR H 1 23 LYS HB2 . . 4.580 3.479 3.281 3.691 . 0 0 "[ . 1 . 2]" 3
312 1 20 THR H 1 23 LYS HB3 . . 4.580 2.070 1.897 2.365 . 0 0 "[ . 1 . 2]" 3
313 1 41 SER H 1 57 CYS HA . . 4.580 3.942 3.874 4.019 . 0 0 "[ . 1 . 2]" 3
314 1 41 SER H 1 41 SER HB2 . . 3.840 3.769 3.733 3.800 . 0 0 "[ . 1 . 2]" 3
315 1 40 LEU MD1 1 41 SER H . . 4.870 3.467 3.418 3.591 . 0 0 "[ . 1 . 2]" 3
316 1 40 LEU MD2 1 41 SER H . . 5.500 5.495 5.480 5.518 0.018 2 0 "[ . 1 . 2]" 3
317 1 30 ASN H 1 32 GLY H . . 3.760 3.702 3.650 3.743 . 0 0 "[ . 1 . 2]" 3
318 1 31 CYS H 1 32 GLY H . . 2.870 2.537 2.508 2.566 . 0 0 "[ . 1 . 2]" 3
319 1 30 ASN HA 1 32 GLY H . . 4.720 4.684 4.605 4.758 0.038 20 0 "[ . 1 . 2]" 3
320 1 29 LYS HA 1 32 GLY H . . 4.530 4.272 4.230 4.290 . 0 0 "[ . 1 . 2]" 3
321 1 28 CYS HB3 1 32 GLY H . . 3.570 2.103 2.050 2.156 . 0 0 "[ . 1 . 2]" 3
322 1 31 CYS HB2 1 32 GLY H . . 4.760 3.892 3.853 3.944 . 0 0 "[ . 1 . 2]" 3
323 1 28 CYS HB2 1 32 GLY H . . 4.300 3.815 3.769 3.863 . 0 0 "[ . 1 . 2]" 3
324 1 29 LYS H 1 56 VAL HA . . 3.840 3.133 3.089 3.198 . 0 0 "[ . 1 . 2]" 3
325 1 29 LYS H 1 56 VAL HB . . 4.550 4.113 4.028 4.248 . 0 0 "[ . 1 . 2]" 3
326 1 29 LYS H 1 29 LYS HB2 . . 3.080 2.415 2.399 2.436 . 0 0 "[ . 1 . 2]" 3
327 1 29 LYS H 1 29 LYS HB3 . . 3.670 3.639 3.630 3.651 . 0 0 "[ . 1 . 2]" 3
328 1 29 LYS H 1 29 LYS HG2 . . 3.490 3.063 2.857 3.124 . 0 0 "[ . 1 . 2]" 3
329 1 29 LYS H 1 56 VAL MG1 . . 3.630 2.706 2.655 2.774 . 0 0 "[ . 1 . 2]" 3
330 1 29 LYS H 1 40 LEU MD2 . . 4.880 4.677 4.634 4.714 . 0 0 "[ . 1 . 2]" 3
331 1 13 TYR HB2 1 14 GLY H . . 4.490 4.431 4.416 4.447 . 0 0 "[ . 1 . 2]" 3
332 1 13 TYR H 1 14 GLY H . . 3.450 2.851 2.801 2.909 . 0 0 "[ . 1 . 2]" 3
333 1 14 GLY H 1 35 PHE QD . . 3.360 3.449 3.386 3.524 0.164 20 0 "[ . 1 . 2]" 3
334 1 14 GLY H 1 35 PHE QE . . 3.860 3.777 3.707 3.869 0.009 20 0 "[ . 1 . 2]" 3
335 1 14 GLY H 1 35 PHE HA . . 4.250 4.236 4.181 4.265 0.015 19 0 "[ . 1 . 2]" 3
336 1 12 CYS HA 1 14 GLY H . . 4.140 3.891 3.842 3.943 . 0 0 "[ . 1 . 2]" 3
337 1 12 CYS HB3 1 14 GLY H . . 4.540 3.187 3.137 3.244 . 0 0 "[ . 1 . 2]" 3
338 1 49 ALA H 1 50 GLY H . . 3.670 2.554 2.302 2.895 . 0 0 "[ . 1 . 2]" 3
339 1 48 ARG HA 1 50 GLY H . . 4.600 4.096 3.563 4.529 . 0 0 "[ . 1 . 2]" 3
340 1 64 LEU H 1 65 THR H . . 3.130 2.540 2.399 2.782 . 0 0 "[ . 1 . 2]" 3
341 1 65 THR H 1 66 ARG HA . . 5.260 4.843 4.581 5.220 . 0 0 "[ . 1 . 2]" 3
342 1 62 THR HA 1 65 THR H . . 3.990 3.408 3.291 3.663 . 0 0 "[ . 1 . 2]" 3
343 1 65 THR H 1 66 ARG QB . . 4.470 4.047 3.717 4.388 . 0 0 "[ . 1 . 2]" 3
344 1 64 LEU HG 1 65 THR H . . 4.490 4.506 4.332 4.614 0.124 7 0 "[ . 1 . 2]" 3
345 1 64 LEU HB2 1 65 THR H . . 3.620 3.001 2.405 3.368 . 0 0 "[ . 1 . 2]" 3
346 1 64 LEU HB3 1 65 THR H . . 4.250 3.915 3.468 4.189 . 0 0 "[ . 1 . 2]" 3
347 1 44 ALA MB 1 65 THR H . . 4.630 4.463 3.945 4.696 0.066 18 0 "[ . 1 . 2]" 3
348 1 65 THR H 1 65 THR MG . . 3.190 2.734 2.413 2.959 . 0 0 "[ . 1 . 2]" 3
349 1 63 ILE MG 1 65 THR H . . 5.370 4.996 4.727 5.360 . 0 0 "[ . 1 . 2]" 3
350 1 64 LEU QD 1 65 THR H . . 4.580 4.190 3.857 4.360 . 0 0 "[ . 1 . 2]" 3
351 1 37 ASN H 1 38 GLY H . . 3.670 3.017 2.942 3.062 . 0 0 "[ . 1 . 2]" 3
352 1 38 GLY H 1 39 CYS HA . . 5.500 5.337 5.285 5.364 . 0 0 "[ . 1 . 2]" 3
353 1 36 CYS HB2 1 38 GLY H . . 3.740 3.083 3.021 3.139 . 0 0 "[ . 1 . 2]" 3
354 1 36 CYS HB3 1 38 GLY H . . 4.470 4.406 4.371 4.448 . 0 0 "[ . 1 . 2]" 3
355 1 37 ASN HB2 1 38 GLY H . . 4.160 4.123 4.064 4.171 0.011 17 0 "[ . 1 . 2]" 3
356 1 37 ASN HB3 1 38 GLY H . . 3.820 3.027 2.828 3.622 . 0 0 "[ . 1 . 2]" 3
357 1 66 ARG QB 1 67 GLY H . . 4.480 3.158 2.266 3.850 . 0 0 "[ . 1 . 2]" 3
358 1 27 GLY H 1 28 CYS H . . 4.560 4.447 4.433 4.458 . 0 0 "[ . 1 . 2]" 3
359 1 26 TYR QD 1 27 GLY H . . 4.310 3.854 3.674 3.994 . 0 0 "[ . 1 . 2]" 3
360 1 27 GLY H 1 40 LEU MD1 . . 5.160 4.910 4.899 4.929 . 0 0 "[ . 1 . 2]" 3
361 1 11 ARG H 1 11 ARG HD2 . . 5.500 5.068 4.780 5.381 . 0 0 "[ . 1 . 2]" 3
362 1 11 ARG H 1 11 ARG HD3 . . 5.500 5.288 5.005 5.450 . 0 0 "[ . 1 . 2]" 3
363 1 12 CYS H 1 16 ALA H . . 4.020 3.619 3.509 3.705 . 0 0 "[ . 1 . 2]" 3
364 1 13 TYR H 1 36 CYS H . . 4.780 4.344 4.250 4.439 . 0 0 "[ . 1 . 2]" 3
365 1 12 CYS HB3 1 13 TYR H . . 4.770 4.028 3.948 4.091 . 0 0 "[ . 1 . 2]" 3
366 1 13 TYR H 1 33 ARG HB3 . . 5.360 4.843 4.762 4.948 . 0 0 "[ . 1 . 2]" 3
367 1 12 CYS HB2 1 14 GLY H . . 4.670 4.195 4.172 4.215 . 0 0 "[ . 1 . 2]" 3
368 1 12 CYS H 1 17 VAL H . . 3.610 2.800 2.700 2.896 . 0 0 "[ . 1 . 2]" 3
369 1 16 ALA H 1 17 VAL H . . 3.230 2.495 2.467 2.569 . 0 0 "[ . 1 . 2]" 3
370 1 30 ASN H 1 30 ASN HD21 . . 4.630 4.585 4.559 4.615 . 0 0 "[ . 1 . 2]" 3
371 1 31 CYS H 1 60 CYS HB3 . . 4.460 4.075 4.028 4.139 . 0 0 "[ . 1 . 2]" 3
372 1 31 CYS H 1 32 GLY HA2 . . 5.280 4.803 4.767 4.830 . 0 0 "[ . 1 . 2]" 3
373 1 32 GLY H 1 33 ARG H . . 3.180 2.545 2.486 2.580 . 0 0 "[ . 1 . 2]" 3
374 1 31 CYS HB3 1 33 ARG H . . 4.820 4.876 4.854 4.931 0.111 18 0 "[ . 1 . 2]" 3
375 1 13 TYR QE 1 34 ALA H . . 5.500 5.492 5.456 5.516 0.016 10 0 "[ . 1 . 2]" 3
376 1 19 PHE QE 1 34 ALA H . . 5.500 5.465 5.327 5.518 0.018 18 0 "[ . 1 . 2]" 3
377 1 34 ALA H 1 35 PHE H . . 4.850 4.502 4.474 4.538 . 0 0 "[ . 1 . 2]" 3
378 1 39 CYS H 1 40 LEU HB3 . . 5.050 4.849 4.753 4.890 . 0 0 "[ . 1 . 2]" 3
379 1 36 CYS HB3 1 39 CYS H . . 4.910 4.417 4.401 4.445 . 0 0 "[ . 1 . 2]" 3
380 1 40 LEU H 1 41 SER H . . 3.660 3.493 3.413 3.582 . 0 0 "[ . 1 . 2]" 3
381 1 38 GLY H 1 40 LEU H . . 4.160 4.002 3.855 4.210 0.050 14 0 "[ . 1 . 2]" 3
382 1 41 SER H 1 42 PHE QD . . 3.690 2.314 2.148 2.460 . 0 0 "[ . 1 . 2]" 3
383 1 41 SER H 1 42 PHE HB2 . . 4.870 4.412 4.363 4.467 . 0 0 "[ . 1 . 2]" 3
384 1 40 LEU HB2 1 41 SER H . . 4.750 4.631 4.620 4.635 . 0 0 "[ . 1 . 2]" 3
385 1 40 LEU HB3 1 41 SER H . . 4.830 4.337 4.308 4.354 . 0 0 "[ . 1 . 2]" 3
386 1 46 VAL H 1 54 GLN H . . 4.450 3.404 3.176 3.571 . 0 0 "[ . 1 . 2]" 3
387 1 54 GLN H 1 55 LYS H . . 4.650 4.551 4.505 4.577 . 0 0 "[ . 1 . 2]" 3
388 1 60 CYS H 1 63 ILE H . . 4.800 4.462 4.436 4.502 . 0 0 "[ . 1 . 2]" 3
389 1 60 CYS H 1 61 HIS H . . 3.210 3.074 3.029 3.113 . 0 0 "[ . 1 . 2]" 3
390 1 44 ALA MB 1 61 HIS H . . 4.790 4.391 4.322 4.556 . 0 0 "[ . 1 . 2]" 3
391 1 63 ILE HG12 1 64 LEU H . . 4.580 4.430 4.381 4.507 . 0 0 "[ . 1 . 2]" 3
392 1 62 THR MG 1 66 ARG H . . 4.790 3.729 3.594 3.941 . 0 0 "[ . 1 . 2]" 3
393 1 79 GLN H 1 79 GLN QG . . 4.640 2.956 2.041 4.084 . 0 0 "[ . 1 . 2]" 3
394 1 46 VAL HB 1 52 THR H . . 5.110 3.559 3.402 3.759 . 0 0 "[ . 1 . 2]" 3
395 1 46 VAL H 1 52 THR H . . 5.250 2.470 2.220 2.684 . 0 0 "[ . 1 . 2]" 3
396 1 14 GLY HA2 1 16 ALA H . . 5.090 4.623 4.589 4.676 . 0 0 "[ . 1 . 2]" 3
397 1 14 GLY HA2 1 39 CYS HB3 . . 5.350 5.020 4.930 5.072 . 0 0 "[ . 1 . 2]" 3
398 1 14 GLY HA2 1 15 CYS H . . 3.550 3.541 3.533 3.547 . 0 0 "[ . 1 . 2]" 3
399 1 14 GLY HA2 1 35 PHE QD . . 4.190 4.075 4.018 4.134 . 0 0 "[ . 1 . 2]" 3
400 1 14 GLY HA2 1 35 PHE QE . . 3.610 2.921 2.881 3.018 . 0 0 "[ . 1 . 2]" 3
401 1 14 GLY HA2 1 15 CYS HA . . 5.060 4.532 4.528 4.536 . 0 0 "[ . 1 . 2]" 3
402 1 35 PHE HB3 1 39 CYS H . . 5.110 4.190 4.167 4.206 . 0 0 "[ . 1 . 2]" 3
403 1 35 PHE HB3 1 39 CYS HB2 . . 3.720 2.445 2.432 2.463 . 0 0 "[ . 1 . 2]" 3
404 1 26 TYR QB 1 35 PHE HB3 . . 4.930 4.008 3.961 4.113 . 0 0 "[ . 1 . 2]" 3
405 1 35 PHE HB3 1 57 CYS HB3 . . 4.000 3.735 3.677 3.834 . 0 0 "[ . 1 . 2]" 3
406 1 35 PHE HB3 1 40 LEU MD2 . . 3.950 3.371 3.346 3.410 . 0 0 "[ . 1 . 2]" 3
407 1 34 ALA HA 1 35 PHE HB2 . . 5.170 4.426 4.391 4.447 . 0 0 "[ . 1 . 2]" 3
408 1 35 PHE HB2 1 39 CYS HB2 . . 4.170 4.190 4.177 4.206 0.036 17 0 "[ . 1 . 2]" 3
409 1 28 CYS HB2 1 35 PHE HB2 . . 5.160 4.213 4.158 4.262 . 0 0 "[ . 1 . 2]" 3
410 1 35 PHE HB2 1 57 CYS HB3 . . 4.420 3.418 3.348 3.514 . 0 0 "[ . 1 . 2]" 3
411 1 38 GLY HA2 1 40 LEU H . . 5.000 4.759 4.542 5.026 0.026 14 0 "[ . 1 . 2]" 3
412 1 63 ILE H 1 63 ILE MD . . 3.730 3.636 3.588 3.697 . 0 0 "[ . 1 . 2]" 3
413 1 59 GLN HB3 1 63 ILE MD . . 4.380 3.048 2.819 3.193 . 0 0 "[ . 1 . 2]" 3
414 1 59 GLN HB2 1 63 ILE MD . . 4.600 4.218 4.142 4.300 . 0 0 "[ . 1 . 2]" 3
415 1 60 CYS H 1 63 ILE MD . . 4.660 3.755 3.400 3.919 . 0 0 "[ . 1 . 2]" 3
416 1 30 ASN HD21 1 63 ILE MD . . 4.720 4.487 4.115 4.691 . 0 0 "[ . 1 . 2]" 3
417 1 63 ILE MD 1 64 LEU H . . 4.920 4.716 4.478 4.887 . 0 0 "[ . 1 . 2]" 3
418 1 30 ASN HD22 1 63 ILE MD . . 4.830 4.295 3.960 4.454 . 0 0 "[ . 1 . 2]" 3
419 1 62 THR HB 1 63 ILE MD . . 5.110 4.768 4.677 4.860 . 0 0 "[ . 1 . 2]" 3
420 1 59 GLN HA 1 63 ILE MD . . 5.000 3.959 3.928 4.021 . 0 0 "[ . 1 . 2]" 3
421 1 63 ILE HA 1 63 ILE MD . . 3.690 3.616 3.540 3.734 0.044 8 0 "[ . 1 . 2]" 3
422 1 59 GLN QG 1 63 ILE MD . . 3.380 2.215 1.968 2.395 . 0 0 "[ . 1 . 2]" 3
423 1 66 ARG QB 1 67 GLY QA . . 4.890 4.201 3.447 4.660 . 0 0 "[ . 1 . 2]" 3
424 1 66 ARG H 1 67 GLY QA . . 4.870 4.385 4.142 4.714 . 0 0 "[ . 1 . 2]" 3
425 1 27 GLY HA3 1 28 CYS H . . 3.130 2.980 2.969 3.011 . 0 0 "[ . 1 . 2]" 3
426 1 27 GLY HA3 1 35 PHE QD . . 5.500 5.514 5.492 5.527 0.027 10 0 "[ . 1 . 2]" 3
427 1 27 GLY HA3 1 28 CYS HA . . 4.860 4.587 4.569 4.607 . 0 0 "[ . 1 . 2]" 3
428 1 27 GLY HA3 1 35 PHE H . . 4.900 4.693 4.579 4.756 . 0 0 "[ . 1 . 2]" 3
429 1 27 GLY HA3 1 34 ALA MB . . 5.100 5.054 4.954 5.110 0.010 13 0 "[ . 1 . 2]" 3
430 1 84 GLY HA2 1 85 PRO HD2 . . 4.070 2.645 1.956 3.398 . 0 0 "[ . 1 . 2]" 3
431 1 84 GLY HA3 1 85 PRO HD2 . . 4.070 2.500 1.914 3.623 . 0 0 "[ . 1 . 2]" 3
432 1 66 ARG QB 1 66 ARG QD . . 3.020 2.195 2.102 2.421 . 0 0 "[ . 1 . 2]" 3
433 1 63 ILE MG 1 66 ARG QD . . 4.560 3.083 2.046 4.103 . 0 0 "[ . 1 . 2]" 3
434 1 63 ILE MD 1 66 ARG QD . . 5.130 4.262 3.520 5.025 . 0 0 "[ . 1 . 2]" 3
435 1 48 ARG HB2 1 48 ARG HD2 . . 3.820 3.602 2.826 3.837 0.017 8 0 "[ . 1 . 2]" 3
436 1 48 ARG HB3 1 48 ARG HD2 . . 3.820 3.490 2.502 3.615 . 0 0 "[ . 1 . 2]" 3
437 1 48 ARG HB2 1 48 ARG HD3 . . 3.820 2.764 2.635 3.815 . 0 0 "[ . 1 . 2]" 3
438 1 30 ASN HA 1 48 ARG HD3 . . 4.250 3.441 2.881 4.159 . 0 0 "[ . 1 . 2]" 3
439 1 48 ARG HA 1 48 ARG HD3 . . 4.920 4.462 4.208 4.856 . 0 0 "[ . 1 . 2]" 3
440 1 48 ARG HB3 1 48 ARG HD3 . . 3.820 2.541 2.214 3.575 . 0 0 "[ . 1 . 2]" 3
441 1 46 VAL MG1 1 48 ARG HD3 . . 4.780 3.689 3.469 3.988 . 0 0 "[ . 1 . 2]" 3
442 1 11 ARG HA 1 11 ARG HD3 . . 5.430 4.206 3.816 4.519 . 0 0 "[ . 1 . 2]" 3
443 1 13 TYR QE 1 33 ARG HD3 . . 4.340 2.878 2.759 2.973 . 0 0 "[ . 1 . 2]" 3
444 1 33 ARG HD3 1 35 PHE HZ . . 4.790 3.977 3.740 4.244 . 0 0 "[ . 1 . 2]" 3
445 1 33 ARG HD2 1 35 PHE HZ . . 5.170 2.721 2.612 2.861 . 0 0 "[ . 1 . 2]" 3
446 1 13 TYR HB2 1 33 ARG HD2 . . 4.990 4.571 4.258 4.678 . 0 0 "[ . 1 . 2]" 3
447 1 33 ARG HB2 1 33 ARG HD3 . . 3.650 3.126 3.037 3.254 . 0 0 "[ . 1 . 2]" 3
448 1 33 ARG HB3 1 33 ARG HD3 . . 3.660 2.657 2.621 2.695 . 0 0 "[ . 1 . 2]" 3
449 1 13 TYR QD 1 33 ARG HD3 . . 3.940 2.879 2.739 2.992 . 0 0 "[ . 1 . 2]" 3
450 1 31 CYS HB2 1 33 ARG HD3 . . 4.650 4.398 4.275 4.526 . 0 0 "[ . 1 . 2]" 3
451 1 13 TYR HB2 1 33 ARG HD3 . . 4.650 4.073 3.976 4.217 . 0 0 "[ . 1 . 2]" 3
452 1 13 TYR QD 1 33 ARG HD2 . . 4.430 3.127 2.871 3.356 . 0 0 "[ . 1 . 2]" 3
453 1 33 ARG HD2 1 35 PHE QE . . 4.620 3.170 3.032 3.337 . 0 0 "[ . 1 . 2]" 3
454 1 13 TYR QE 1 33 ARG HD2 . . 4.600 3.730 3.463 3.981 . 0 0 "[ . 1 . 2]" 3
455 1 31 CYS HB2 1 33 ARG HD2 . . 5.070 3.287 3.073 3.574 . 0 0 "[ . 1 . 2]" 3
456 1 33 ARG HB2 1 33 ARG HD2 . . 3.650 2.347 2.308 2.407 . 0 0 "[ . 1 . 2]" 3
457 1 33 ARG HB3 1 33 ARG HD2 . . 3.640 2.976 2.835 3.069 . 0 0 "[ . 1 . 2]" 3
458 1 64 LEU H 1 64 LEU HB3 . . 3.700 3.590 3.581 3.603 . 0 0 "[ . 1 . 2]" 3
459 1 61 HIS HA 1 64 LEU HB3 . . 5.440 5.113 4.998 5.257 . 0 0 "[ . 1 . 2]" 3
460 1 29 LYS QE 1 54 GLN HE22 . . 4.520 4.186 3.934 4.521 0.001 5 0 "[ . 1 . 2]" 3
461 1 29 LYS HA 1 29 LYS QE . . 4.050 3.969 3.922 4.113 0.063 14 0 "[ . 1 . 2]" 3
462 1 29 LYS QE 1 29 LYS HG3 . . 2.720 2.383 2.329 2.426 . 0 0 "[ . 1 . 2]" 3
463 1 29 LYS QE 1 46 VAL MG1 . . 5.290 5.402 5.321 5.481 0.191 14 0 "[ . 1 . 2]" 3
464 1 58 LYS HB3 1 58 LYS QE . . 4.390 4.066 3.416 4.395 0.005 1 0 "[ . 1 . 2]" 3
465 1 58 LYS QE 1 58 LYS HG2 . . 3.590 2.408 2.192 3.084 . 0 0 "[ . 1 . 2]" 3
466 1 42 PHE QE 1 58 LYS QE . . 4.380 3.549 2.561 4.342 . 0 0 "[ . 1 . 2]" 3
467 1 42 PHE HZ 1 58 LYS QE . . 4.860 3.412 1.826 4.336 . 0 0 "[ . 1 . 2]" 3
468 1 58 LYS HB2 1 58 LYS QE . . 4.390 3.463 2.172 4.066 . 0 0 "[ . 1 . 2]" 3
469 1 58 LYS QE 1 58 LYS HG3 . . 3.590 2.854 2.170 3.498 . 0 0 "[ . 1 . 2]" 3
470 1 23 LYS HA 1 23 LYS QE . . 4.270 4.010 3.705 4.233 . 0 0 "[ . 1 . 2]" 3
471 1 23 LYS QE 1 36 CYS HB2 . . 4.000 3.282 2.023 4.002 0.002 18 0 "[ . 1 . 2]" 3
472 1 23 LYS HB2 1 23 LYS QE . . 4.290 3.086 2.305 3.860 . 0 0 "[ . 1 . 2]" 3
473 1 17 VAL HB 1 23 LYS QE . . 4.560 3.772 3.489 4.161 . 0 0 "[ . 1 . 2]" 3
474 1 18 LYS H 1 18 LYS QE . . 5.500 4.941 4.574 5.562 0.062 14 0 "[ . 1 . 2]" 3
475 1 18 LYS QE 1 18 LYS HG2 . . 3.380 2.571 2.128 3.390 0.010 15 0 "[ . 1 . 2]" 3
476 1 18 LYS QE 1 18 LYS HG3 . . 3.380 2.951 2.128 3.387 0.007 18 0 "[ . 1 . 2]" 3
477 1 18 LYS QE 1 20 THR MG . . 3.670 2.400 1.792 3.680 0.010 2 0 "[ . 1 . 2]" 3
478 1 24 LYS QE 1 26 TYR QE . . 5.330 4.958 3.698 5.340 0.010 8 0 "[ . 1 . 2]" 3
479 1 24 LYS QE 1 24 LYS HG2 . . 3.680 2.638 2.185 3.501 . 0 0 "[ . 1 . 2]" 3
480 1 55 LYS QE 1 56 VAL H . . 4.450 4.251 3.696 4.432 . 0 0 "[ . 1 . 2]" 3
481 1 55 LYS HA 1 55 LYS QE . . 4.680 3.197 2.770 3.315 . 0 0 "[ . 1 . 2]" 3
482 1 41 SER HA 1 55 LYS QE . . 4.100 2.729 2.634 2.865 . 0 0 "[ . 1 . 2]" 3
483 1 55 LYS HB2 1 55 LYS QE . . 4.020 3.419 3.346 3.490 . 0 0 "[ . 1 . 2]" 3
484 1 55 LYS QE 1 55 LYS HG2 . . 3.670 3.426 3.303 3.475 . 0 0 "[ . 1 . 2]" 3
485 1 40 LEU HB3 1 55 LYS QE . . 4.740 4.659 4.507 4.754 0.014 19 0 "[ . 1 . 2]" 3
486 1 40 LEU MD1 1 55 LYS QE . . 4.360 3.361 3.013 3.485 . 0 0 "[ . 1 . 2]" 3
487 1 21 LEU HB2 1 22 PHE H . . 4.760 2.469 2.330 2.661 . 0 0 "[ . 1 . 2]" 3
488 1 21 LEU HB2 1 21 LEU MD1 . . 3.550 2.337 2.006 3.126 . 0 0 "[ . 1 . 2]" 3
489 1 21 LEU HB3 1 22 PHE H . . 4.760 3.420 2.822 3.750 . 0 0 "[ . 1 . 2]" 3
490 1 21 LEU HB3 1 21 LEU MD1 . . 3.550 2.871 2.097 3.122 . 0 0 "[ . 1 . 2]" 3
491 1 44 ALA HA 1 45 LEU HB2 . . 4.740 4.681 4.625 4.764 0.024 13 0 "[ . 1 . 2]" 3
492 1 45 LEU H 1 45 LEU HB3 . . 3.660 3.577 3.566 3.585 . 0 0 "[ . 1 . 2]" 3
493 1 42 PHE HB2 1 61 HIS HD2 . . 4.280 3.493 3.426 3.541 . 0 0 "[ . 1 . 2]" 3
494 1 42 PHE H 1 42 PHE HB3 . . 3.950 3.863 3.838 3.877 . 0 0 "[ . 1 . 2]" 3
495 1 42 PHE HB3 1 61 HIS HD2 . . 3.850 2.136 2.063 2.198 . 0 0 "[ . 1 . 2]" 3
496 1 42 PHE HB3 1 61 HIS HB2 . . 3.600 2.461 2.407 2.507 . 0 0 "[ . 1 . 2]" 3
497 1 39 CYS H 1 40 LEU HB2 . . 5.020 4.750 4.671 4.788 . 0 0 "[ . 1 . 2]" 3
498 1 37 ASN HA 1 40 LEU HB2 . . 4.420 4.451 4.416 4.502 0.082 15 0 "[ . 1 . 2]" 3
499 1 35 PHE HB3 1 40 LEU HB2 . . 4.720 2.312 2.282 2.344 . 0 0 "[ . 1 . 2]" 3
500 1 26 TYR QB 1 40 LEU HB2 . . 5.040 2.778 2.703 2.819 . 0 0 "[ . 1 . 2]" 3
501 1 35 PHE HB2 1 40 LEU HB2 . . 4.420 1.987 1.977 1.997 . 0 0 "[ . 1 . 2]" 3
502 1 35 PHE QD 1 40 LEU HB3 . . 5.500 5.247 5.228 5.287 . 0 0 "[ . 1 . 2]" 3
503 1 35 PHE HB3 1 40 LEU HB3 . . 4.450 3.840 3.802 3.897 . 0 0 "[ . 1 . 2]" 3
504 1 26 TYR QB 1 40 LEU HB3 . . 4.970 2.405 2.315 2.467 . 0 0 "[ . 1 . 2]" 3
505 1 35 PHE HB2 1 40 LEU HB3 . . 3.850 3.611 3.595 3.653 . 0 0 "[ . 1 . 2]" 3
506 1 30 ASN HB3 1 30 ASN HD21 . . 3.270 2.209 2.186 2.238 . 0 0 "[ . 1 . 2]" 3
507 1 30 ASN HB3 1 60 CYS HB2 . . 4.350 3.682 3.663 3.716 . 0 0 "[ . 1 . 2]" 3
508 1 30 ASN HB3 1 60 CYS HB3 . . 3.680 2.694 2.661 2.746 . 0 0 "[ . 1 . 2]" 3
509 1 30 ASN HB3 1 56 VAL HB . . 4.680 3.771 3.709 3.856 . 0 0 "[ . 1 . 2]" 3
510 1 30 ASN HB3 1 64 LEU QD . . 3.650 3.166 3.088 3.348 . 0 0 "[ . 1 . 2]" 3
511 1 22 PHE HB2 1 23 LYS H . . 4.540 2.604 2.312 3.458 . 0 0 "[ . 1 . 2]" 3
512 1 22 PHE HB3 1 23 LYS H . . 4.540 3.841 3.679 4.223 . 0 0 "[ . 1 . 2]" 3
513 1 30 ASN HB2 1 64 LEU QD . . 3.300 2.318 2.214 2.485 . 0 0 "[ . 1 . 2]" 3
514 1 30 ASN HB3 1 32 GLY H . . 5.190 4.182 4.134 4.235 . 0 0 "[ . 1 . 2]" 3
515 1 30 ASN HB2 1 64 LEU HG . . 4.860 4.235 4.150 4.288 . 0 0 "[ . 1 . 2]" 3
516 1 52 THR HB 1 53 GLN H . . 3.380 3.054 2.835 3.191 . 0 0 "[ . 1 . 2]" 3
517 1 52 THR HB 1 54 GLN HE21 . . 3.730 3.403 2.990 3.686 . 0 0 "[ . 1 . 2]" 3
518 1 52 THR HB 1 54 GLN HG3 . . 4.790 4.325 4.131 4.808 0.018 20 0 "[ . 1 . 2]" 3
519 1 45 LEU QD 1 52 THR HB . . 4.930 4.130 3.997 4.246 . 0 0 "[ . 1 . 2]" 3
520 1 52 THR HB 1 54 GLN HE22 . . 4.140 3.949 3.739 4.088 . 0 0 "[ . 1 . 2]" 3
521 1 19 PHE HB3 1 25 GLU QB . . 4.400 2.351 2.066 2.613 . 0 0 "[ . 1 . 2]" 3
522 1 10 SER HB2 1 19 PHE HB3 . . 5.340 5.131 4.771 5.597 0.257 14 0 "[ . 1 . 2]" 3
523 1 78 PRO QD 1 81 TYR HB2 . . 4.980 3.921 2.147 5.557 0.577 16 1 "[ . 1 .+ 2]" 3
524 1 11 ARG HA 1 19 PHE HB2 . . 5.330 4.679 4.529 4.887 . 0 0 "[ . 1 . 2]" 3
525 1 18 LYS HA 1 19 PHE HB2 . . 4.710 4.636 4.584 4.699 . 0 0 "[ . 1 . 2]" 3
526 1 19 PHE HB2 1 25 GLU QB . . 4.840 3.052 2.840 3.357 . 0 0 "[ . 1 . 2]" 3
527 1 30 ASN HD22 1 63 ILE HB . . 5.280 4.435 4.371 4.503 . 0 0 "[ . 1 . 2]" 3
528 1 63 ILE HB 1 64 LEU HA . . 5.030 4.035 3.943 4.114 . 0 0 "[ . 1 . 2]" 3
529 1 60 CYS HB3 1 63 ILE HB . . 4.650 4.528 4.425 4.650 . 0 0 "[ . 1 . 2]" 3
530 1 63 ILE HB 1 64 LEU QD . . 4.870 3.793 3.657 3.849 . 0 0 "[ . 1 . 2]" 3
531 1 26 TYR QD 1 37 ASN HB3 . . 4.430 4.228 3.630 4.401 . 0 0 "[ . 1 . 2]" 3
532 1 37 ASN H 1 37 ASN HB2 . . 3.530 2.929 2.718 3.456 . 0 0 "[ . 1 . 2]" 3
533 1 26 TYR QD 1 37 ASN HB2 . . 4.500 3.763 3.470 4.494 . 0 0 "[ . 1 . 2]" 3
534 1 26 TYR QE 1 37 ASN HB2 . . 3.590 2.646 2.252 3.430 . 0 0 "[ . 1 . 2]" 3
535 1 37 ASN H 1 37 ASN HB3 . . 3.540 2.357 2.156 2.467 . 0 0 "[ . 1 . 2]" 3
536 1 26 TYR QE 1 37 ASN HB3 . . 3.590 3.414 2.703 3.629 0.039 17 0 "[ . 1 . 2]" 3
537 1 36 CYS HB2 1 37 ASN HB3 . . 5.130 4.282 4.188 4.573 . 0 0 "[ . 1 . 2]" 3
538 1 13 TYR HB2 1 35 PHE QD . . 4.630 4.399 4.359 4.442 . 0 0 "[ . 1 . 2]" 3
539 1 13 TYR HB2 1 33 ARG HB3 . . 4.180 2.738 2.664 2.815 . 0 0 "[ . 1 . 2]" 3
540 1 51 ASN HB3 1 52 THR H . . 5.140 4.377 4.271 4.654 . 0 0 "[ . 1 . 2]" 3
541 1 45 LEU QD 1 51 ASN HB3 . . 5.000 2.994 2.359 4.447 . 0 0 "[ . 1 . 2]" 3
542 1 13 TYR HB3 1 14 GLY H . . 4.220 4.057 4.037 4.082 . 0 0 "[ . 1 . 2]" 3
543 1 13 TYR HB3 1 35 PHE QD . . 4.450 3.630 3.583 3.679 . 0 0 "[ . 1 . 2]" 3
544 1 51 ASN HB2 1 52 THR H . . 5.140 4.450 4.395 4.605 . 0 0 "[ . 1 . 2]" 3
545 1 45 LEU QD 1 51 ASN HB2 . . 5.000 3.884 2.708 4.354 . 0 0 "[ . 1 . 2]" 3
546 1 13 TYR HB2 1 35 PHE HZ . . 4.750 4.463 4.380 4.570 . 0 0 "[ . 1 . 2]" 3
547 1 12 CYS HA 1 13 TYR HB2 . . 4.350 4.185 4.173 4.200 . 0 0 "[ . 1 . 2]" 3
548 1 51 ASN HB3 1 52 THR MG . . 4.940 4.624 3.947 5.008 0.068 7 0 "[ . 1 . 2]" 3
549 1 13 TYR HB3 1 34 ALA MB . . 5.220 4.888 4.798 4.993 . 0 0 "[ . 1 . 2]" 3
550 1 13 TYR HB3 1 34 ALA H . . 4.770 4.256 4.197 4.338 . 0 0 "[ . 1 . 2]" 3
551 1 13 TYR HB3 1 35 PHE HZ . . 4.220 2.832 2.762 2.932 . 0 0 "[ . 1 . 2]" 3
552 1 13 TYR HB3 1 35 PHE QE . . 3.710 2.746 2.692 2.826 . 0 0 "[ . 1 . 2]" 3
553 1 13 TYR HB3 1 33 ARG HB3 . . 4.430 3.067 2.983 3.153 . 0 0 "[ . 1 . 2]" 3
554 1 65 THR H 1 65 THR HB . . 3.860 3.676 3.610 3.761 . 0 0 "[ . 1 . 2]" 3
555 1 62 THR HA 1 65 THR HB . . 4.500 4.274 4.201 4.417 . 0 0 "[ . 1 . 2]" 3
556 1 56 VAL HB 1 60 CYS H . . 4.840 4.693 4.656 4.741 . 0 0 "[ . 1 . 2]" 3
557 1 56 VAL HB 1 57 CYS H . . 3.100 2.418 2.294 2.498 . 0 0 "[ . 1 . 2]" 3
558 1 56 VAL HB 1 60 CYS HB3 . . 3.600 2.624 2.580 2.684 . 0 0 "[ . 1 . 2]" 3
559 1 30 ASN HB2 1 56 VAL HB . . 4.440 4.069 4.008 4.152 . 0 0 "[ . 1 . 2]" 3
560 1 44 ALA MB 1 56 VAL HB . . 4.490 4.319 4.153 4.450 . 0 0 "[ . 1 . 2]" 3
561 1 62 THR HB 1 63 ILE HG13 . . 4.450 3.964 3.852 4.057 . 0 0 "[ . 1 . 2]" 3
562 1 61 HIS H 1 62 THR HB . . 5.050 5.057 5.025 5.112 0.062 15 0 "[ . 1 . 2]" 3
563 1 62 THR HB 1 64 LEU H . . 5.500 5.167 5.060 5.370 . 0 0 "[ . 1 . 2]" 3
564 1 61 HIS HB3 1 62 THR HB . . 5.230 4.860 4.791 4.958 . 0 0 "[ . 1 . 2]" 3
565 1 59 GLN HB2 1 62 THR HB . . 5.500 5.651 5.606 5.693 0.193 15 0 "[ . 1 . 2]" 3
566 1 62 THR HB 1 63 ILE HB . . 5.500 5.425 5.357 5.463 . 0 0 "[ . 1 . 2]" 3
567 1 9 GLU HG3 1 10 SER H . . 5.430 4.284 3.447 4.821 . 0 0 "[ . 1 . 2]" 3
568 1 9 GLU HG2 1 10 SER H . . 5.430 4.237 3.596 4.878 . 0 0 "[ . 1 . 2]" 3
569 1 25 GLU HG2 1 26 TYR H . . 4.550 2.855 2.505 3.066 . 0 0 "[ . 1 . 2]" 3
570 1 19 PHE QE 1 25 GLU HG2 . . 4.570 3.981 2.972 4.356 . 0 0 "[ . 1 . 2]" 3
571 1 25 GLU HG2 1 34 ALA HA . . 5.060 4.387 4.000 4.653 . 0 0 "[ . 1 . 2]" 3
572 1 25 GLU HA 1 25 GLU HG2 . . 4.070 2.989 2.518 3.170 . 0 0 "[ . 1 . 2]" 3
573 1 19 PHE HZ 1 25 GLU HG2 . . 5.230 4.434 3.092 4.851 . 0 0 "[ . 1 . 2]" 3
574 1 25 GLU HG3 1 34 ALA HA . . 5.060 4.600 4.219 5.001 . 0 0 "[ . 1 . 2]" 3
575 1 25 GLU H 1 25 GLU HG3 . . 4.980 4.704 4.539 4.797 . 0 0 "[ . 1 . 2]" 3
576 1 19 PHE QE 1 25 GLU HG3 . . 4.570 2.692 2.469 2.889 . 0 0 "[ . 1 . 2]" 3
577 1 19 PHE HZ 1 25 GLU HG3 . . 5.230 3.410 3.018 4.155 . 0 0 "[ . 1 . 2]" 3
578 1 61 HIS H 1 62 THR HA . . 5.380 5.433 5.412 5.450 0.070 10 0 "[ . 1 . 2]" 3
579 1 62 THR HA 1 64 LEU H . . 5.010 4.408 4.201 4.669 . 0 0 "[ . 1 . 2]" 3
580 1 61 HIS HB3 1 62 THR HA . . 5.050 4.703 4.628 4.757 . 0 0 "[ . 1 . 2]" 3
581 1 62 THR HA 1 66 ARG QB . . 4.740 4.261 4.028 4.624 . 0 0 "[ . 1 . 2]" 3
582 1 62 THR HA 1 65 THR MG . . 4.410 3.454 3.334 3.589 . 0 0 "[ . 1 . 2]" 3
583 1 59 GLN QG 1 62 THR HB . . 4.550 4.133 4.079 4.194 . 0 0 "[ . 1 . 2]" 3
584 1 59 GLN QG 1 60 CYS H . . 4.030 3.751 3.710 3.776 . 0 0 "[ . 1 . 2]" 3
585 1 59 GLN H 1 59 GLN QG . . 3.590 3.632 3.625 3.640 0.050 19 0 "[ . 1 . 2]" 3
586 1 59 GLN HA 1 59 GLN QG . . 3.000 2.240 2.227 2.272 . 0 0 "[ . 1 . 2]" 3
587 1 59 GLN QG 1 60 CYS HA . . 4.950 4.506 4.412 4.540 . 0 0 "[ . 1 . 2]" 3
588 1 59 GLN QG 1 63 ILE HG12 . . 4.060 2.978 2.939 3.007 . 0 0 "[ . 1 . 2]" 3
589 1 11 ARG HB2 1 16 ALA H . . 5.500 5.479 5.282 5.520 0.020 2 0 "[ . 1 . 2]" 3
590 1 11 ARG HB2 1 16 ALA HA . . 3.540 3.515 3.261 3.589 0.049 15 0 "[ . 1 . 2]" 3
591 1 11 ARG HB2 1 16 ALA MB . . 4.370 4.220 3.955 4.378 0.008 15 0 "[ . 1 . 2]" 3
592 1 11 ARG HB3 1 16 ALA MB . . 4.340 3.657 3.490 3.815 . 0 0 "[ . 1 . 2]" 3
593 1 47 PRO HA 1 52 THR H . . 5.280 4.870 4.740 5.081 . 0 0 "[ . 1 . 2]" 3
594 1 46 VAL H 1 47 PRO HA . . 5.240 5.189 5.123 5.248 0.008 2 0 "[ . 1 . 2]" 3
595 1 47 PRO HA 1 51 ASN H . . 4.090 2.535 2.228 2.904 . 0 0 "[ . 1 . 2]" 3
596 1 47 PRO HA 1 50 GLY H . . 4.830 3.796 3.332 4.502 . 0 0 "[ . 1 . 2]" 3
597 1 46 VAL MG1 1 47 PRO HA . . 4.400 4.278 4.198 4.324 . 0 0 "[ . 1 . 2]" 3
598 1 45 LEU H 1 53 GLN HG3 . . 5.190 3.668 3.408 3.849 . 0 0 "[ . 1 . 2]" 3
599 1 53 GLN HG2 1 54 GLN H . . 4.260 3.853 3.483 4.008 . 0 0 "[ . 1 . 2]" 3
600 1 53 GLN H 1 53 GLN HG3 . . 4.080 4.403 4.371 4.451 0.371 20 0 "[ . 1 . 2]" 3
601 1 24 LYS HB2 1 25 GLU H . . 4.070 3.553 3.299 3.783 . 0 0 "[ . 1 . 2]" 3
602 1 24 LYS HB3 1 24 LYS QE . . 4.960 3.603 2.455 4.049 . 0 0 "[ . 1 . 2]" 3
603 1 43 SER QB 1 55 LYS HA . . 3.980 3.196 3.123 3.313 . 0 0 "[ . 1 . 2]" 3
604 1 43 SER QB 1 44 ALA HA . . 4.390 3.969 3.878 3.998 . 0 0 "[ . 1 . 2]" 3
605 1 43 SER QB 1 53 GLN HG2 . . 4.230 2.105 2.033 2.230 . 0 0 "[ . 1 . 2]" 3
606 1 23 LYS HA 1 24 LYS HB2 . . 5.310 4.562 4.473 4.680 . 0 0 "[ . 1 . 2]" 3
607 1 24 LYS H 1 24 LYS HB3 . . 3.740 3.582 3.572 3.593 . 0 0 "[ . 1 . 2]" 3
608 1 59 GLN HB3 1 60 CYS HA . . 4.670 3.739 3.728 3.749 . 0 0 "[ . 1 . 2]" 3
609 1 42 PHE HA 1 43 SER QB . . 4.810 4.568 4.523 4.635 . 0 0 "[ . 1 . 2]" 3
610 1 43 SER QB 1 44 ALA H . . 3.810 2.952 2.820 3.023 . 0 0 "[ . 1 . 2]" 3
611 1 43 SER QB 1 55 LYS QD . . 4.540 3.158 3.060 3.231 . 0 0 "[ . 1 . 2]" 3
612 1 43 SER QB 1 56 VAL MG2 . . 4.540 4.273 4.164 4.319 . 0 0 "[ . 1 . 2]" 3
613 1 30 ASN HD21 1 60 CYS HA . . 4.270 4.006 3.921 4.088 . 0 0 "[ . 1 . 2]" 3
614 1 60 CYS HA 1 64 LEU H . . 4.020 3.579 3.472 3.673 . 0 0 "[ . 1 . 2]" 3
615 1 30 ASN HD22 1 60 CYS HA . . 4.720 4.400 4.361 4.429 . 0 0 "[ . 1 . 2]" 3
616 1 60 CYS HA 1 60 CYS HB3 . . 3.020 2.578 2.568 2.583 . 0 0 "[ . 1 . 2]" 3
617 1 30 ASN HB2 1 60 CYS HA . . 5.500 5.275 5.229 5.310 . 0 0 "[ . 1 . 2]" 3
618 1 60 CYS HA 1 63 ILE HB . . 2.930 2.541 2.439 2.655 . 0 0 "[ . 1 . 2]" 3
619 1 60 CYS HA 1 63 ILE HG13 . . 3.850 1.985 1.971 1.995 . 0 0 "[ . 1 . 2]" 3
620 1 60 CYS HA 1 63 ILE MG . . 3.910 3.893 3.801 3.981 0.071 6 0 "[ . 1 . 2]" 3
621 1 60 CYS HA 1 63 ILE MD . . 3.250 2.982 2.655 3.130 . 0 0 "[ . 1 . 2]" 3
622 1 60 CYS HA 1 64 LEU QD . . 4.070 3.746 3.660 3.866 . 0 0 "[ . 1 . 2]" 3
623 1 46 VAL HB 1 47 PRO HD2 . . 5.080 4.200 4.135 4.240 . 0 0 "[ . 1 . 2]" 3
624 1 46 VAL H 1 46 VAL HB . . 3.280 2.649 2.614 2.692 . 0 0 "[ . 1 . 2]" 3
625 1 45 LEU HA 1 46 VAL HB . . 4.680 4.729 4.705 4.755 0.075 3 0 "[ . 1 . 2]" 3
626 1 46 VAL HB 1 47 PRO HD3 . . 5.080 4.993 4.967 5.012 . 0 0 "[ . 1 . 2]" 3
627 1 18 LYS HB3 1 19 PHE H . . 4.510 4.043 3.828 4.249 . 0 0 "[ . 1 . 2]" 3
628 1 17 VAL HA 1 18 LYS HB3 . . 4.960 4.813 4.574 4.971 0.011 1 0 "[ . 1 . 2]" 3
629 1 18 LYS HB3 1 18 LYS QE . . 4.500 2.663 2.055 3.623 . 0 0 "[ . 1 . 2]" 3
630 1 18 LYS HB3 1 20 THR MG . . 4.020 2.949 2.698 3.457 . 0 0 "[ . 1 . 2]" 3
631 1 17 VAL MG2 1 18 LYS HB3 . . 4.940 3.899 3.678 4.097 . 0 0 "[ . 1 . 2]" 3
632 1 18 LYS HB2 1 18 LYS QE . . 4.560 3.336 2.554 4.122 . 0 0 "[ . 1 . 2]" 3
633 1 17 VAL HA 1 18 LYS HB2 . . 4.610 4.380 4.261 4.541 . 0 0 "[ . 1 . 2]" 3
634 1 11 ARG HG2 1 18 LYS HB2 . . 4.060 3.391 2.882 3.699 . 0 0 "[ . 1 . 2]" 3
635 1 17 VAL MG2 1 18 LYS HB2 . . 4.700 4.353 4.135 4.567 . 0 0 "[ . 1 . 2]" 3
636 1 11 ARG HA 1 18 LYS HB3 . . 5.440 5.359 5.112 5.441 0.001 19 0 "[ . 1 . 2]" 3
637 1 62 THR HB 1 63 ILE HA . . 4.550 4.385 4.268 4.423 . 0 0 "[ . 1 . 2]" 3
638 1 63 ILE HA 1 66 ARG HA . . 5.330 5.264 5.160 5.348 0.018 20 0 "[ . 1 . 2]" 3
639 1 63 ILE HA 1 64 LEU HA . . 4.870 4.736 4.696 4.791 . 0 0 "[ . 1 . 2]" 3
640 1 63 ILE HA 1 67 GLY QA . . 5.500 5.367 5.189 5.403 . 0 0 "[ . 1 . 2]" 3
641 1 63 ILE HA 1 66 ARG QD . . 4.200 2.615 1.996 3.047 . 0 0 "[ . 1 . 2]" 3
642 1 63 ILE HA 1 66 ARG QB . . 3.740 2.823 2.347 3.061 . 0 0 "[ . 1 . 2]" 3
643 1 63 ILE HA 1 63 ILE HG12 . . 2.960 2.604 2.547 2.651 . 0 0 "[ . 1 . 2]" 3
644 1 15 CYS HB2 1 17 VAL H . . 4.670 3.919 3.874 3.972 . 0 0 "[ . 1 . 2]" 3
645 1 15 CYS HB2 1 17 VAL MG2 . . 5.160 4.837 4.714 4.925 . 0 0 "[ . 1 . 2]" 3
646 1 15 CYS HB2 1 17 VAL HB . . 4.690 3.547 3.444 3.623 . 0 0 "[ . 1 . 2]" 3
647 1 15 CYS HB2 1 17 VAL MG1 . . 5.160 4.244 4.102 4.438 . 0 0 "[ . 1 . 2]" 3
648 1 14 GLY HA3 1 15 CYS HB3 . . 5.300 4.450 4.393 4.506 . 0 0 "[ . 1 . 2]" 3
649 1 15 CYS HB3 1 16 ALA H . . 4.720 4.308 4.274 4.338 . 0 0 "[ . 1 . 2]" 3
650 1 31 CYS HB2 1 33 ARG HG3 . . 4.150 2.684 2.573 2.806 . 0 0 "[ . 1 . 2]" 3
651 1 30 ASN HD21 1 31 CYS HB2 . . 4.550 4.220 4.120 4.276 . 0 0 "[ . 1 . 2]" 3
652 1 30 ASN HD22 1 31 CYS HB2 . . 5.500 5.483 5.392 5.518 0.018 10 0 "[ . 1 . 2]" 3
653 1 30 ASN HD21 1 31 CYS HB3 . . 4.280 2.711 2.644 2.750 . 0 0 "[ . 1 . 2]" 3
654 1 31 CYS HB3 1 32 GLY H . . 5.100 3.905 3.884 3.927 . 0 0 "[ . 1 . 2]" 3
655 1 30 ASN HD22 1 31 CYS HB3 . . 5.080 4.150 4.082 4.188 . 0 0 "[ . 1 . 2]" 3
656 1 30 ASN HB3 1 31 CYS HB3 . . 4.910 3.762 3.742 3.781 . 0 0 "[ . 1 . 2]" 3
657 1 31 CYS HB3 1 33 ARG HG3 . . 4.520 4.114 3.968 4.253 . 0 0 "[ . 1 . 2]" 3
658 1 57 CYS HB2 1 58 LYS H . . 3.120 2.643 2.547 2.678 . 0 0 "[ . 1 . 2]" 3
659 1 57 CYS HB2 1 59 GLN H . . 4.170 3.578 3.561 3.594 . 0 0 "[ . 1 . 2]" 3
660 1 57 CYS H 1 57 CYS HB2 . . 3.680 3.604 3.598 3.615 . 0 0 "[ . 1 . 2]" 3
661 1 35 PHE HZ 1 57 CYS HB2 . . 4.160 3.756 3.699 3.829 . 0 0 "[ . 1 . 2]" 3
662 1 35 PHE QE 1 57 CYS HB2 . . 3.900 3.341 3.283 3.413 . 0 0 "[ . 1 . 2]" 3
663 1 28 CYS HB2 1 57 CYS HB2 . . 5.060 4.971 4.914 5.020 . 0 0 "[ . 1 . 2]" 3
664 1 57 CYS HB2 1 60 CYS H . . 4.710 4.368 4.344 4.413 . 0 0 "[ . 1 . 2]" 3
665 1 46 VAL H 1 54 GLN HG2 . . 5.090 3.915 3.777 4.047 . 0 0 "[ . 1 . 2]" 3
666 1 35 PHE QD 1 57 CYS HB2 . . 4.330 3.464 3.416 3.562 . 0 0 "[ . 1 . 2]" 3
667 1 52 THR HB 1 54 GLN HG2 . . 4.790 3.062 2.838 3.601 . 0 0 "[ . 1 . 2]" 3
668 1 29 LYS HG3 1 54 GLN HG2 . . 4.140 3.845 3.762 3.883 . 0 0 "[ . 1 . 2]" 3
669 1 46 VAL MG2 1 54 GLN HG2 . . 3.760 3.213 3.056 3.416 . 0 0 "[ . 1 . 2]" 3
670 1 54 GLN HB3 1 54 GLN HE21 . . 4.530 4.186 4.074 4.329 . 0 0 "[ . 1 . 2]" 3
671 1 54 GLN HB3 1 54 GLN HE22 . . 5.120 4.477 4.410 4.576 . 0 0 "[ . 1 . 2]" 3
672 1 29 LYS HG3 1 54 GLN HB3 . . 3.930 2.131 2.024 2.264 . 0 0 "[ . 1 . 2]" 3
673 1 49 ALA MB 1 54 GLN HB3 . . 4.690 4.436 4.020 4.647 . 0 0 "[ . 1 . 2]" 3
674 1 46 VAL MG2 1 54 GLN HB3 . . 3.840 3.566 3.493 3.621 . 0 0 "[ . 1 . 2]" 3
675 1 46 VAL MG2 1 54 GLN HG3 . . 3.760 3.224 2.952 3.397 . 0 0 "[ . 1 . 2]" 3
676 1 54 GLN HG3 1 55 LYS H . . 4.960 4.929 4.866 4.971 0.011 5 0 "[ . 1 . 2]" 3
677 1 46 VAL H 1 54 GLN HG3 . . 5.090 4.743 4.586 4.939 . 0 0 "[ . 1 . 2]" 3
678 1 54 GLN HA 1 54 GLN HG3 . . 4.050 3.803 3.774 3.840 . 0 0 "[ . 1 . 2]" 3
679 1 49 ALA MB 1 54 GLN HG3 . . 3.890 2.504 2.070 2.706 . 0 0 "[ . 1 . 2]" 3
680 1 29 LYS HB2 1 29 LYS QE . . 4.550 4.264 4.241 4.356 . 0 0 "[ . 1 . 2]" 3
681 1 29 LYS HB2 1 49 ALA MB . . 4.410 4.189 3.873 4.327 . 0 0 "[ . 1 . 2]" 3
682 1 29 LYS HB2 1 46 VAL MG1 . . 4.030 3.003 2.781 3.109 . 0 0 "[ . 1 . 2]" 3
683 1 29 LYS HB2 1 54 GLN HB3 . . 3.910 3.570 3.437 3.699 . 0 0 "[ . 1 . 2]" 3
684 1 42 PHE HZ 1 58 LYS HB2 . . 4.910 3.194 3.057 3.283 . 0 0 "[ . 1 . 2]" 3
685 1 57 CYS HA 1 58 LYS HB2 . . 5.500 4.802 4.794 4.816 . 0 0 "[ . 1 . 2]" 3
686 1 29 LYS HB3 1 46 VAL HA . . 5.500 5.455 5.374 5.514 0.014 4 0 "[ . 1 . 2]" 3
687 1 29 LYS HB3 1 29 LYS QE . . 4.550 3.929 3.888 4.008 . 0 0 "[ . 1 . 2]" 3
688 1 29 LYS HB3 1 54 GLN HB3 . . 4.380 4.282 4.135 4.390 0.010 20 0 "[ . 1 . 2]" 3
689 1 29 LYS HB3 1 46 VAL MG2 . . 3.650 2.741 2.553 2.992 . 0 0 "[ . 1 . 2]" 3
690 1 58 LYS H 1 58 LYS HB3 . . 3.690 2.577 2.546 2.592 . 0 0 "[ . 1 . 2]" 3
691 1 42 PHE QE 1 58 LYS HB3 . . 4.310 3.860 3.680 4.117 . 0 0 "[ . 1 . 2]" 3
692 1 42 PHE HZ 1 58 LYS HB3 . . 4.910 4.914 4.768 5.007 0.097 18 0 "[ . 1 . 2]" 3
693 1 53 GLN HA 1 54 GLN HB2 . . 5.290 4.835 4.790 4.871 . 0 0 "[ . 1 . 2]" 3
694 1 54 GLN HB2 1 54 GLN HE21 . . 4.660 4.536 4.485 4.592 . 0 0 "[ . 1 . 2]" 3
695 1 49 ALA MB 1 54 GLN HB2 . . 4.700 3.957 3.590 4.168 . 0 0 "[ . 1 . 2]" 3
696 1 28 CYS HB3 1 57 CYS HB3 . . 4.900 4.809 4.759 4.837 . 0 0 "[ . 1 . 2]" 3
697 1 57 CYS HB3 1 58 LYS H . . 4.160 3.873 3.827 3.897 . 0 0 "[ . 1 . 2]" 3
698 1 57 CYS H 1 57 CYS HB3 . . 3.450 2.659 2.634 2.697 . 0 0 "[ . 1 . 2]" 3
699 1 35 PHE HZ 1 57 CYS HB3 . . 4.300 3.864 3.823 3.954 . 0 0 "[ . 1 . 2]" 3
700 1 35 PHE QD 1 57 CYS HB3 . . 4.280 2.657 2.578 2.723 . 0 0 "[ . 1 . 2]" 3
701 1 35 PHE QE 1 57 CYS HB3 . . 3.990 3.001 2.958 3.038 . 0 0 "[ . 1 . 2]" 3
702 1 56 VAL HB 1 57 CYS HB3 . . 5.270 5.054 4.973 5.098 . 0 0 "[ . 1 . 2]" 3
703 1 46 VAL MG1 1 47 PRO HB3 . . 4.930 4.883 4.787 4.925 . 0 0 "[ . 1 . 2]" 3
704 1 57 CYS HA 1 58 LYS HB3 . . 5.500 4.811 4.793 4.842 . 0 0 "[ . 1 . 2]" 3
705 1 54 GLN HB2 1 55 LYS H . . 4.110 3.633 3.533 3.706 . 0 0 "[ . 1 . 2]" 3
706 1 47 PRO HB3 1 48 ARG H . . 4.450 4.407 4.281 4.530 0.080 20 0 "[ . 1 . 2]" 3
707 1 46 VAL MG1 1 47 PRO HB2 . . 4.680 4.652 4.546 4.698 0.018 13 0 "[ . 1 . 2]" 3
708 1 46 VAL HA 1 47 PRO HB3 . . 4.960 4.867 4.853 4.873 . 0 0 "[ . 1 . 2]" 3
709 1 10 SER HB3 1 19 PHE QE . . 4.570 3.553 2.876 5.076 0.506 16 1 "[ . 1 .+ 2]" 3
710 1 55 LYS HB3 1 55 LYS QE . . 4.700 2.003 1.974 2.122 . 0 0 "[ . 1 . 2]" 3
711 1 40 LEU HB3 1 55 LYS HB3 . . 4.870 5.001 4.903 5.067 0.197 18 0 "[ . 1 . 2]" 3
712 1 40 LEU MD1 1 55 LYS HB3 . . 3.970 2.802 2.696 2.858 . 0 0 "[ . 1 . 2]" 3
713 1 10 SER HB3 1 19 PHE QD . . 3.810 2.615 2.037 3.924 0.114 16 0 "[ . 1 . 2]" 3
714 1 10 SER HB3 1 19 PHE HB2 . . 4.650 4.246 3.502 5.169 0.519 2 2 "[ + . 1 - 2]" 3
715 1 10 SER HB3 1 34 ALA MB . . 4.880 4.511 3.861 5.589 0.709 16 1 "[ . 1 .+ 2]" 3
716 1 17 VAL HB 1 18 LYS H . . 4.450 4.223 4.071 4.351 . 0 0 "[ . 1 . 2]" 3
717 1 23 LYS HB3 1 23 LYS QE . . 4.290 3.897 3.435 4.225 . 0 0 "[ . 1 . 2]" 3
718 1 41 SER HB2 1 42 PHE QE . . 5.220 5.098 4.940 5.202 . 0 0 "[ . 1 . 2]" 3
719 1 41 SER HB2 1 42 PHE QD . . 5.140 5.022 4.897 5.135 . 0 0 "[ . 1 . 2]" 3
720 1 41 SER HA 1 41 SER HB2 . . 2.920 2.436 2.370 2.518 . 0 0 "[ . 1 . 2]" 3
721 1 40 LEU HA 1 41 SER HB3 . . 5.430 5.121 5.005 5.235 . 0 0 "[ . 1 . 2]" 3
722 1 41 SER HB3 1 42 PHE H . . 4.750 4.588 4.543 4.631 . 0 0 "[ . 1 . 2]" 3
723 1 41 SER H 1 41 SER HB3 . . 3.640 2.999 2.835 3.170 . 0 0 "[ . 1 . 2]" 3
724 1 41 SER HA 1 41 SER HB3 . . 2.960 2.486 2.405 2.560 . 0 0 "[ . 1 . 2]" 3
725 1 41 SER HB3 1 42 PHE QE . . 5.020 4.763 4.483 4.967 . 0 0 "[ . 1 . 2]" 3
726 1 23 LYS HG3 1 36 CYS HB2 . . 4.950 2.423 2.011 2.928 . 0 0 "[ . 1 . 2]" 3
727 1 23 LYS HD3 1 36 CYS HB2 . . 4.470 4.227 3.740 4.593 0.123 6 0 "[ . 1 . 2]" 3
728 1 36 CYS H 1 36 CYS HB2 . . 3.790 3.673 3.648 3.688 . 0 0 "[ . 1 . 2]" 3
729 1 36 CYS HB2 1 37 ASN H . . 3.630 2.980 2.850 3.035 . 0 0 "[ . 1 . 2]" 3
730 1 19 PHE QE 1 36 CYS HB2 . . 3.940 3.082 2.884 3.263 . 0 0 "[ . 1 . 2]" 3
731 1 12 CYS HB2 1 36 CYS HB2 . . 4.390 4.023 3.918 4.121 . 0 0 "[ . 1 . 2]" 3
732 1 28 CYS HB3 1 30 ASN H . . 4.460 4.113 4.053 4.192 . 0 0 "[ . 1 . 2]" 3
733 1 28 CYS H 1 28 CYS HB3 . . 3.070 2.696 2.685 2.716 . 0 0 "[ . 1 . 2]" 3
734 1 28 CYS HB3 1 31 CYS H . . 3.710 3.635 3.555 3.699 . 0 0 "[ . 1 . 2]" 3
735 1 28 CYS HB3 1 33 ARG H . . 3.580 1.994 1.951 2.030 . 0 0 "[ . 1 . 2]" 3
736 1 28 CYS HB3 1 35 PHE QD . . 4.050 3.781 3.738 3.832 . 0 0 "[ . 1 . 2]" 3
737 1 28 CYS HB3 1 35 PHE QE . . 3.470 3.355 3.307 3.408 . 0 0 "[ . 1 . 2]" 3
738 1 28 CYS HB3 1 56 VAL HA . . 5.040 4.657 4.628 4.678 . 0 0 "[ . 1 . 2]" 3
739 1 27 GLY HA2 1 28 CYS HB3 . . 4.990 4.867 4.855 4.878 . 0 0 "[ . 1 . 2]" 3
740 1 28 CYS HB3 1 33 ARG HB2 . . 5.240 4.009 3.957 4.058 . 0 0 "[ . 1 . 2]" 3
741 1 28 CYS HB3 1 40 LEU MD2 . . 4.260 4.253 4.216 4.288 0.028 14 0 "[ . 1 . 2]" 3
742 1 28 CYS H 1 28 CYS HB2 . . 3.240 2.581 2.546 2.599 . 0 0 "[ . 1 . 2]" 3
743 1 28 CYS HB2 1 29 LYS H . . 4.060 3.902 3.862 3.992 . 0 0 "[ . 1 . 2]" 3
744 1 28 CYS HB2 1 33 ARG H . . 3.910 2.961 2.908 3.045 . 0 0 "[ . 1 . 2]" 3
745 1 28 CYS HB2 1 35 PHE QD . . 3.330 2.302 2.275 2.341 . 0 0 "[ . 1 . 2]" 3
746 1 28 CYS HB2 1 35 PHE QE . . 3.440 2.723 2.668 2.803 . 0 0 "[ . 1 . 2]" 3
747 1 28 CYS HB2 1 56 VAL HA . . 4.380 3.949 3.920 3.979 . 0 0 "[ . 1 . 2]" 3
748 1 28 CYS HB2 1 57 CYS HB3 . . 3.940 3.289 3.228 3.341 . 0 0 "[ . 1 . 2]" 3
749 1 28 CYS HB2 1 30 ASN H . . 5.140 5.066 4.991 5.143 0.003 10 0 "[ . 1 . 2]" 3
750 1 36 CYS H 1 36 CYS HB3 . . 3.490 2.693 2.640 2.744 . 0 0 "[ . 1 . 2]" 3
751 1 36 CYS HB3 1 37 ASN H . . 4.300 4.132 4.071 4.166 . 0 0 "[ . 1 . 2]" 3
752 1 19 PHE QD 1 36 CYS HB3 . . 4.590 3.466 3.261 3.641 . 0 0 "[ . 1 . 2]" 3
753 1 19 PHE QE 1 36 CYS HB3 . . 3.640 2.059 1.993 2.212 . 0 0 "[ . 1 . 2]" 3
754 1 19 PHE HZ 1 36 CYS HB3 . . 4.810 4.043 3.804 4.227 . 0 0 "[ . 1 . 2]" 3
755 1 23 LYS QE 1 36 CYS HB3 . . 4.720 4.126 3.029 4.720 0.000 18 0 "[ . 1 . 2]" 3
756 1 12 CYS HB2 1 36 CYS HB3 . . 3.710 2.273 2.171 2.370 . 0 0 "[ . 1 . 2]" 3
757 1 39 CYS HA 1 41 SER H . . 4.490 3.921 3.833 3.992 . 0 0 "[ . 1 . 2]" 3
758 1 35 PHE QD 1 39 CYS HA . . 5.150 5.164 5.153 5.177 0.027 17 0 "[ . 1 . 2]" 3
759 1 39 CYS HA 1 42 PHE QE . . 4.430 3.042 2.929 3.113 . 0 0 "[ . 1 . 2]" 3
760 1 12 CYS HB3 1 36 CYS H . . 4.510 4.241 4.106 4.309 . 0 0 "[ . 1 . 2]" 3
761 1 12 CYS HB3 1 19 PHE HZ . . 4.590 4.519 4.357 4.598 0.008 18 0 "[ . 1 . 2]" 3
762 1 12 CYS H 1 12 CYS HB3 . . 3.110 2.401 2.370 2.435 . 0 0 "[ . 1 . 2]" 3
763 1 12 CYS HB3 1 19 PHE QE . . 4.630 4.342 4.145 4.476 . 0 0 "[ . 1 . 2]" 3
764 1 12 CYS HB3 1 36 CYS HB3 . . 4.230 3.695 3.580 3.799 . 0 0 "[ . 1 . 2]" 3
765 1 12 CYS HB2 1 16 ALA H . . 4.260 4.154 4.043 4.251 . 0 0 "[ . 1 . 2]" 3
766 1 12 CYS HB2 1 19 PHE QD . . 4.920 4.314 4.163 4.475 . 0 0 "[ . 1 . 2]" 3
767 1 12 CYS HB2 1 35 PHE HA . . 4.510 3.589 3.520 3.709 . 0 0 "[ . 1 . 2]" 3
768 1 12 CYS HB2 1 16 ALA HA . . 5.050 4.874 4.747 5.058 0.008 14 0 "[ . 1 . 2]" 3
769 1 12 CYS H 1 12 CYS HB2 . . 3.160 2.862 2.817 2.920 . 0 0 "[ . 1 . 2]" 3
770 1 12 CYS HB2 1 19 PHE QE . . 4.010 2.686 2.458 2.851 . 0 0 "[ . 1 . 2]" 3
771 1 12 CYS HB3 1 35 PHE HA . . 4.810 4.502 4.439 4.588 . 0 0 "[ . 1 . 2]" 3
772 1 12 CYS HB3 1 17 VAL HB . . 4.610 3.889 3.609 4.030 . 0 0 "[ . 1 . 2]" 3
773 1 12 CYS HB3 1 16 ALA MB . . 4.930 4.511 4.432 4.610 . 0 0 "[ . 1 . 2]" 3
774 1 11 ARG HB3 1 12 CYS HB3 . . 5.080 4.179 4.111 4.248 . 0 0 "[ . 1 . 2]" 3
775 1 12 CYS HB3 1 17 VAL MG2 . . 4.900 4.713 4.615 4.762 . 0 0 "[ . 1 . 2]" 3
776 1 12 CYS HB2 1 17 VAL HB . . 4.870 4.557 4.287 4.690 . 0 0 "[ . 1 . 2]" 3
777 1 11 ARG HB3 1 12 CYS HB2 . . 5.020 4.864 4.793 4.982 . 0 0 "[ . 1 . 2]" 3
778 1 12 CYS HB2 1 19 PHE HZ . . 4.170 3.149 2.947 3.252 . 0 0 "[ . 1 . 2]" 3
779 1 78 PRO HA 1 79 GLN H . . 3.280 2.507 2.157 3.157 . 0 0 "[ . 1 . 2]" 3
780 1 17 VAL HA 1 18 LYS H . . 2.510 2.177 2.140 2.258 . 0 0 "[ . 1 . 2]" 3
781 1 17 VAL HA 1 17 VAL HB . . 2.850 2.512 2.485 2.556 . 0 0 "[ . 1 . 2]" 3
782 1 17 VAL HA 1 17 VAL MG1 . . 3.310 3.193 3.175 3.201 . 0 0 "[ . 1 . 2]" 3
783 1 33 ARG HB2 1 35 PHE HZ . . 4.520 3.154 3.079 3.189 . 0 0 "[ . 1 . 2]" 3
784 1 33 ARG HB2 1 35 PHE QE . . 3.550 1.987 1.976 1.995 . 0 0 "[ . 1 . 2]" 3
785 1 13 TYR HB2 1 33 ARG HB2 . . 4.600 3.760 3.657 3.845 . 0 0 "[ . 1 . 2]" 3
786 1 13 TYR QD 1 33 ARG HB3 . . 4.020 3.255 3.193 3.337 . 0 0 "[ . 1 . 2]" 3
787 1 33 ARG HB3 1 35 PHE QE . . 4.410 3.594 3.561 3.625 . 0 0 "[ . 1 . 2]" 3
788 1 77 PRO HB2 1 78 PRO QD . . 3.850 2.429 1.972 3.100 . 0 0 "[ . 1 . 2]" 3
789 1 33 ARG HB3 1 35 PHE HZ . . 4.930 4.189 4.108 4.238 . 0 0 "[ . 1 . 2]" 3
790 1 64 LEU H 1 65 THR HA . . 5.470 5.173 5.055 5.367 . 0 0 "[ . 1 . 2]" 3
791 1 14 GLY H 1 39 CYS HB3 . . 5.220 5.237 5.162 5.307 0.087 19 0 "[ . 1 . 2]" 3
792 1 39 CYS H 1 39 CYS HB3 . . 3.670 3.599 3.591 3.612 . 0 0 "[ . 1 . 2]" 3
793 1 35 PHE HA 1 39 CYS HB3 . . 4.960 4.884 4.779 4.955 . 0 0 "[ . 1 . 2]" 3
794 1 14 GLY HA3 1 39 CYS HB3 . . 4.280 3.449 3.355 3.507 . 0 0 "[ . 1 . 2]" 3
795 1 39 CYS HB3 1 57 CYS HB3 . . 5.260 4.638 4.586 4.709 . 0 0 "[ . 1 . 2]" 3
796 1 15 CYS H 1 39 CYS HB3 . . 5.500 5.252 5.129 5.304 . 0 0 "[ . 1 . 2]" 3
797 1 35 PHE QD 1 39 CYS HB2 . . 3.550 2.819 2.781 2.907 . 0 0 "[ . 1 . 2]" 3
798 1 35 PHE QE 1 39 CYS HB2 . . 5.090 4.922 4.871 5.035 . 0 0 "[ . 1 . 2]" 3
799 1 14 GLY HA3 1 39 CYS HB2 . . 4.960 4.098 4.020 4.174 . 0 0 "[ . 1 . 2]" 3
800 1 39 CYS HB2 1 40 LEU HA . . 5.500 4.502 4.480 4.579 . 0 0 "[ . 1 . 2]" 3
801 1 65 THR HA 1 65 THR HB . . 2.850 2.497 2.464 2.537 . 0 0 "[ . 1 . 2]" 3
802 1 64 LEU HB2 1 65 THR HA . . 4.770 4.516 4.273 4.689 . 0 0 "[ . 1 . 2]" 3
803 1 64 LEU HB3 1 65 THR HA . . 5.000 4.543 4.323 4.752 . 0 0 "[ . 1 . 2]" 3
804 1 44 ALA MB 1 65 THR HA . . 5.140 5.005 4.796 5.128 . 0 0 "[ . 1 . 2]" 3
805 1 65 THR HA 1 65 THR MG . . 2.800 2.294 2.214 2.367 . 0 0 "[ . 1 . 2]" 3
806 1 35 PHE QD 1 39 CYS HB3 . . 3.350 2.781 2.726 2.824 . 0 0 "[ . 1 . 2]" 3
807 1 35 PHE HB2 1 39 CYS HB3 . . 4.760 4.856 4.733 4.918 0.158 19 0 "[ . 1 . 2]" 3
808 1 36 CYS H 1 39 CYS HB2 . . 3.860 2.451 2.399 2.516 . 0 0 "[ . 1 . 2]" 3
809 1 42 PHE QD 1 61 HIS HB3 . . 5.310 3.832 3.802 3.857 . 0 0 "[ . 1 . 2]" 3
810 1 61 HIS HA 1 63 ILE H . . 5.200 4.699 4.585 4.827 . 0 0 "[ . 1 . 2]" 3
811 1 61 HIS HA 1 65 THR H . . 5.500 4.703 4.219 5.049 . 0 0 "[ . 1 . 2]" 3
812 1 61 HIS HA 1 61 HIS HD2 . . 3.920 3.716 3.647 3.784 . 0 0 "[ . 1 . 2]" 3
813 1 56 VAL HB 1 61 HIS HA . . 5.180 4.355 4.286 4.439 . 0 0 "[ . 1 . 2]" 3
814 1 61 HIS HA 1 64 LEU HG . . 4.690 4.662 4.554 4.703 0.013 17 0 "[ . 1 . 2]" 3
815 1 61 HIS HA 1 64 LEU HB2 . . 3.580 3.451 3.352 3.573 . 0 0 "[ . 1 . 2]" 3
816 1 61 HIS HA 1 65 THR MG . . 3.920 3.818 3.683 3.943 0.023 6 0 "[ . 1 . 2]" 3
817 1 61 HIS HA 1 64 LEU QD . . 3.530 2.933 2.696 3.295 . 0 0 "[ . 1 . 2]" 3
818 1 56 VAL MG2 1 61 HIS HB3 . . 4.040 3.099 3.020 3.165 . 0 0 "[ . 1 . 2]" 3
819 1 42 PHE QD 1 61 HIS HB2 . . 5.150 3.902 3.813 3.950 . 0 0 "[ . 1 . 2]" 3
820 1 61 HIS HB2 1 62 THR H . . 4.340 4.134 4.092 4.164 . 0 0 "[ . 1 . 2]" 3
821 1 66 ARG QB 1 66 ARG HG2 . . 2.770 2.310 2.261 2.373 . 0 0 "[ . 1 . 2]" 3
822 1 65 THR MG 1 66 ARG QB . . 5.500 5.378 5.263 5.507 0.007 19 0 "[ . 1 . 2]" 3
823 1 63 ILE MG 1 66 ARG QB . . 5.250 4.150 3.547 4.399 . 0 0 "[ . 1 . 2]" 3
824 1 63 ILE MD 1 66 ARG QB . . 5.500 5.479 5.237 5.584 0.084 4 0 "[ . 1 . 2]" 3
825 1 19 PHE QE 1 25 GLU QB . . 4.730 3.808 3.535 4.209 . 0 0 "[ . 1 . 2]" 3
826 1 19 PHE QD 1 25 GLU QB . . 4.730 2.887 2.670 3.316 . 0 0 "[ . 1 . 2]" 3
827 1 42 PHE HB3 1 61 HIS HB3 . . 4.370 3.246 3.179 3.314 . 0 0 "[ . 1 . 2]" 3
828 1 13 TYR HA 1 15 CYS H . . 5.170 4.704 4.651 4.775 . 0 0 "[ . 1 . 2]" 3
829 1 13 TYR HA 1 35 PHE QD . . 5.370 5.054 5.026 5.078 . 0 0 "[ . 1 . 2]" 3
830 1 13 TYR HA 1 13 TYR QD . . 3.110 2.997 2.961 3.014 . 0 0 "[ . 1 . 2]" 3
831 1 13 TYR HA 1 13 TYR QE . . 4.630 4.512 4.500 4.516 . 0 0 "[ . 1 . 2]" 3
832 1 13 TYR HA 1 14 GLY HA3 . . 5.310 4.955 4.939 4.968 . 0 0 "[ . 1 . 2]" 3
833 1 13 TYR HA 1 14 GLY HA2 . . 5.060 4.413 4.405 4.420 . 0 0 "[ . 1 . 2]" 3
834 1 13 TYR HA 1 13 TYR HB2 . . 2.940 2.658 2.654 2.665 . 0 0 "[ . 1 . 2]" 3
835 1 18 LYS HD2 1 19 PHE H . . 5.500 5.097 2.816 5.460 . 0 0 "[ . 1 . 2]" 3
836 1 18 LYS HA 1 18 LYS HD2 . . 4.820 4.574 3.491 4.751 . 0 0 "[ . 1 . 2]" 3
837 1 18 LYS HD2 1 20 THR MG . . 4.690 3.569 2.083 4.397 . 0 0 "[ . 1 . 2]" 3
838 1 18 LYS HD3 1 19 PHE H . . 5.500 5.247 3.354 5.507 0.007 8 0 "[ . 1 . 2]" 3
839 1 18 LYS HA 1 18 LYS HD3 . . 4.820 4.486 4.115 4.841 0.021 11 0 "[ . 1 . 2]" 3
840 1 18 LYS HD3 1 20 THR MG . . 4.690 3.626 2.401 4.409 . 0 0 "[ . 1 . 2]" 3
841 1 75 TRP HZ2 1 77 PRO HA . . 4.510 3.681 2.658 4.237 . 0 0 "[ . 1 . 2]" 3
842 1 75 TRP HH2 1 77 PRO HA . . 4.680 2.645 2.103 4.143 . 0 0 "[ . 1 . 2]" 3
843 1 46 VAL MG1 1 48 ARG HB2 . . 4.310 2.065 1.963 2.199 . 0 0 "[ . 1 . 2]" 3
844 1 48 ARG HB2 1 49 ALA H . . 4.920 2.728 2.563 2.894 . 0 0 "[ . 1 . 2]" 3
845 1 46 VAL MG1 1 48 ARG HB3 . . 4.310 3.583 3.506 3.649 . 0 0 "[ . 1 . 2]" 3
846 1 42 PHE QE 1 58 LYS HD2 . . 4.510 3.489 3.008 4.131 . 0 0 "[ . 1 . 2]" 3
847 1 42 PHE QE 1 58 LYS HD3 . . 4.510 2.995 2.845 3.464 . 0 0 "[ . 1 . 2]" 3
848 1 42 PHE HZ 1 58 LYS HD3 . . 4.760 2.438 2.140 2.970 . 0 0 "[ . 1 . 2]" 3
849 1 58 LYS HA 1 58 LYS HD3 . . 4.330 2.993 2.316 3.775 . 0 0 "[ . 1 . 2]" 3
850 1 23 LYS HD2 1 36 CYS HB2 . . 4.470 2.879 2.373 3.367 . 0 0 "[ . 1 . 2]" 3
851 1 23 LYS HA 1 23 LYS HD3 . . 3.760 2.316 1.999 2.881 . 0 0 "[ . 1 . 2]" 3
852 1 17 VAL MG2 1 23 LYS HD3 . . 4.700 4.038 3.377 4.658 . 0 0 "[ . 1 . 2]" 3
853 1 24 LYS H 1 24 LYS QD . . 4.410 4.182 3.757 4.425 0.015 19 0 "[ . 1 . 2]" 3
854 1 24 LYS QD 1 25 GLU H . . 4.580 3.616 3.227 4.036 . 0 0 "[ . 1 . 2]" 3
855 1 24 LYS QD 1 26 TYR QE . . 4.360 3.880 3.151 4.444 0.084 17 0 "[ . 1 . 2]" 3
856 1 21 LEU HA 1 24 LYS QD . . 5.130 4.897 3.344 5.264 0.134 20 0 "[ . 1 . 2]" 3
857 1 59 GLN HB3 1 63 ILE HG12 . . 5.190 4.502 4.484 4.514 . 0 0 "[ . 1 . 2]" 3
858 1 59 GLN HB2 1 60 CYS HA . . 5.370 5.350 5.343 5.356 . 0 0 "[ . 1 . 2]" 3
859 1 59 GLN HB2 1 63 ILE HG12 . . 5.500 5.528 5.505 5.565 0.065 19 0 "[ . 1 . 2]" 3
860 1 63 ILE HG13 1 64 LEU H . . 4.500 3.800 3.634 3.954 . 0 0 "[ . 1 . 2]" 3
861 1 63 ILE HA 1 63 ILE HG13 . . 3.790 3.588 3.482 3.624 . 0 0 "[ . 1 . 2]" 3
862 1 63 ILE HG13 1 64 LEU QD . . 5.300 4.892 4.805 4.995 . 0 0 "[ . 1 . 2]" 3
863 1 62 THR HB 1 63 ILE HG12 . . 5.180 3.522 3.363 3.738 . 0 0 "[ . 1 . 2]" 3
864 1 60 CYS HA 1 63 ILE HG12 . . 3.780 3.708 3.678 3.732 . 0 0 "[ . 1 . 2]" 3
865 1 30 ASN H 1 60 CYS HB2 . . 5.230 5.082 5.050 5.158 . 0 0 "[ . 1 . 2]" 3
866 1 31 CYS H 1 60 CYS HB2 . . 5.170 4.412 4.384 4.477 . 0 0 "[ . 1 . 2]" 3
867 1 59 GLN H 1 60 CYS HB2 . . 5.260 5.126 5.110 5.141 . 0 0 "[ . 1 . 2]" 3
868 1 57 CYS H 1 60 CYS HB2 . . 3.670 2.827 2.733 2.890 . 0 0 "[ . 1 . 2]" 3
869 1 60 CYS HB2 1 61 HIS HB2 . . 5.140 4.689 4.632 4.729 . 0 0 "[ . 1 . 2]" 3
870 1 56 VAL HB 1 60 CYS HB2 . . 3.160 2.298 2.260 2.330 . 0 0 "[ . 1 . 2]" 3
871 1 30 ASN HB2 1 60 CYS HB2 . . 4.650 4.636 4.622 4.645 . 0 0 "[ . 1 . 2]" 3
872 1 44 ALA MB 1 60 CYS HB2 . . 5.500 5.160 5.073 5.306 . 0 0 "[ . 1 . 2]" 3
873 1 57 CYS HB3 1 60 CYS HB2 . . 5.500 4.702 4.687 4.729 . 0 0 "[ . 1 . 2]" 3
874 1 56 VAL MG2 1 60 CYS HB2 . . 3.550 2.887 2.815 2.952 . 0 0 "[ . 1 . 2]" 3
875 1 60 CYS H 1 60 CYS HB3 . . 3.750 3.600 3.596 3.605 . 0 0 "[ . 1 . 2]" 3
876 1 30 ASN HD21 1 60 CYS HB3 . . 3.820 3.653 3.603 3.720 . 0 0 "[ . 1 . 2]" 3
877 1 60 CYS HB3 1 64 LEU H . . 5.200 4.517 4.397 4.608 . 0 0 "[ . 1 . 2]" 3
878 1 57 CYS H 1 60 CYS HB3 . . 4.240 4.186 4.094 4.246 0.006 20 0 "[ . 1 . 2]" 3
879 1 60 CYS HB3 1 64 LEU HG . . 4.080 3.533 3.474 3.577 . 0 0 "[ . 1 . 2]" 3
880 1 60 CYS HB3 1 63 ILE MD . . 5.340 5.007 4.644 5.161 . 0 0 "[ . 1 . 2]" 3
881 1 60 CYS HB3 1 64 LEU QD . . 3.350 2.494 2.411 2.708 . 0 0 "[ . 1 . 2]" 3
882 1 53 GLN HB3 1 54 GLN H . . 4.340 4.421 4.364 4.434 0.094 11 0 "[ . 1 . 2]" 3
883 1 53 GLN H 1 53 GLN HB3 . . 3.630 2.648 2.603 2.677 . 0 0 "[ . 1 . 2]" 3
884 1 45 LEU QD 1 53 GLN HB3 . . 4.300 3.347 3.239 3.455 . 0 0 "[ . 1 . 2]" 3
885 1 53 GLN HB2 1 54 GLN H . . 4.850 4.612 4.513 4.641 . 0 0 "[ . 1 . 2]" 3
886 1 55 LYS H 1 55 LYS QD . . 4.250 3.610 3.518 3.696 . 0 0 "[ . 1 . 2]" 3
887 1 55 LYS QD 1 55 LYS HG2 . . 2.740 2.171 2.169 2.176 . 0 0 "[ . 1 . 2]" 3
888 1 40 LEU MD1 1 55 LYS QD . . 4.350 4.339 4.243 4.380 0.030 17 0 "[ . 1 . 2]" 3
889 1 42 PHE H 1 55 LYS QD . . 5.340 4.252 4.139 4.493 . 0 0 "[ . 1 . 2]" 3
890 1 29 LYS HD2 1 54 GLN HB3 . . 4.880 4.500 4.328 4.669 . 0 0 "[ . 1 . 2]" 3
891 1 29 LYS HD3 1 54 GLN HB3 . . 4.880 4.997 4.919 5.091 0.211 20 0 "[ . 1 . 2]" 3
892 1 33 ARG HG3 1 34 ALA H . . 4.910 4.826 4.758 4.902 . 0 0 "[ . 1 . 2]" 3
893 1 33 ARG HG3 1 35 PHE QE . . 4.690 3.820 3.676 3.928 . 0 0 "[ . 1 . 2]" 3
894 1 31 CYS HB2 1 33 ARG HG2 . . 4.600 4.150 4.023 4.275 . 0 0 "[ . 1 . 2]" 3
895 1 13 TYR QD 1 33 ARG HG2 . . 4.890 4.295 4.173 4.436 . 0 0 "[ . 1 . 2]" 3
896 1 33 ARG HG2 1 35 PHE QE . . 5.390 4.788 4.746 4.817 . 0 0 "[ . 1 . 2]" 3
897 1 29 LYS H 1 29 LYS HD2 . . 4.910 5.104 5.058 5.138 0.228 11 0 "[ . 1 . 2]" 3
898 1 29 LYS HD2 1 46 VAL MG1 . . 5.220 4.179 4.079 4.317 . 0 0 "[ . 1 . 2]" 3
899 1 29 LYS HD2 1 46 VAL MG2 . . 5.500 4.592 4.485 4.786 . 0 0 "[ . 1 . 2]" 3
900 1 29 LYS HD3 1 46 VAL MG1 . . 5.220 4.867 4.726 4.996 . 0 0 "[ . 1 . 2]" 3
901 1 29 LYS H 1 29 LYS HD3 . . 4.910 4.295 4.201 4.331 . 0 0 "[ . 1 . 2]" 3
902 1 29 LYS HD3 1 46 VAL MG2 . . 5.500 5.137 5.036 5.207 . 0 0 "[ . 1 . 2]" 3
903 1 28 CYS HA 1 29 LYS H . . 2.660 2.420 2.354 2.449 . 0 0 "[ . 1 . 2]" 3
904 1 28 CYS HA 1 57 CYS H . . 4.380 4.038 3.978 4.183 . 0 0 "[ . 1 . 2]" 3
905 1 28 CYS HA 1 35 PHE QD . . 4.550 4.297 4.256 4.358 . 0 0 "[ . 1 . 2]" 3
906 1 28 CYS HA 1 35 PHE QE . . 5.170 5.252 5.199 5.328 0.158 17 0 "[ . 1 . 2]" 3
907 1 28 CYS HA 1 56 VAL HA . . 3.430 2.903 2.877 2.959 . 0 0 "[ . 1 . 2]" 3
908 1 27 GLY HA2 1 28 CYS HA . . 4.650 4.351 4.349 4.356 . 0 0 "[ . 1 . 2]" 3
909 1 28 CYS HA 1 29 LYS HB2 . . 4.710 4.483 4.463 4.554 . 0 0 "[ . 1 . 2]" 3
910 1 28 CYS HA 1 29 LYS HG2 . . 4.410 3.849 3.767 3.888 . 0 0 "[ . 1 . 2]" 3
911 1 28 CYS HA 1 40 LEU MD2 . . 3.100 2.629 2.560 2.735 . 0 0 "[ . 1 . 2]" 3
912 1 59 GLN HA 1 61 HIS H . . 4.680 4.770 4.720 4.830 0.150 7 0 "[ . 1 . 2]" 3
913 1 59 GLN HA 1 62 THR HB . . 3.100 2.992 2.943 3.034 . 0 0 "[ . 1 . 2]" 3
914 1 59 GLN HA 1 59 GLN HB3 . . 2.970 2.959 2.957 2.962 . 0 0 "[ . 1 . 2]" 3
915 1 59 GLN HA 1 63 ILE HG13 . . 5.120 3.753 3.730 3.790 . 0 0 "[ . 1 . 2]" 3
916 1 59 GLN HA 1 63 ILE HG12 . . 4.650 3.905 3.843 4.047 . 0 0 "[ . 1 . 2]" 3
917 1 58 LYS HG3 1 59 GLN HA . . 5.090 3.199 3.183 3.226 . 0 0 "[ . 1 . 2]" 3
918 1 52 THR HA 1 53 GLN H . . 3.040 2.192 2.166 2.241 . 0 0 "[ . 1 . 2]" 3
919 1 52 THR HA 1 52 THR HB . . 2.820 2.543 2.443 2.625 . 0 0 "[ . 1 . 2]" 3
920 1 52 THR HA 1 53 GLN HB3 . . 5.440 4.828 4.790 4.846 . 0 0 "[ . 1 . 2]" 3
921 1 52 THR HA 1 53 GLN HB2 . . 4.630 4.405 4.384 4.423 . 0 0 "[ . 1 . 2]" 3
922 1 45 LEU HG 1 52 THR HA . . 5.240 5.372 5.205 5.503 0.263 14 0 "[ . 1 . 2]" 3
923 1 46 VAL HA 1 47 PRO HD2 . . 2.910 2.007 1.992 2.039 . 0 0 "[ . 1 . 2]" 3
924 1 46 VAL HA 1 49 ALA MB . . 5.070 4.975 4.737 5.070 . 0 0 "[ . 1 . 2]" 3
925 1 12 CYS HA 1 13 TYR H . . 2.730 2.232 2.211 2.267 . 0 0 "[ . 1 . 2]" 3
926 1 12 CYS HA 1 19 PHE QE . . 3.440 3.164 3.065 3.228 . 0 0 "[ . 1 . 2]" 3
927 1 12 CYS HA 1 19 PHE HZ . . 3.030 2.055 1.997 2.175 . 0 0 "[ . 1 . 2]" 3
928 1 12 CYS HA 1 36 CYS HB3 . . 4.910 4.303 4.219 4.385 . 0 0 "[ . 1 . 2]" 3
929 1 12 CYS HA 1 13 TYR HB3 . . 5.220 5.058 5.047 5.072 . 0 0 "[ . 1 . 2]" 3
930 1 12 CYS HA 1 34 ALA MB . . 4.200 3.386 3.269 3.533 . 0 0 "[ . 1 . 2]" 3
931 1 12 CYS HA 1 17 VAL MG1 . . 4.590 3.999 3.798 4.086 . 0 0 "[ . 1 . 2]" 3
932 1 58 LYS HA 1 60 CYS H . . 5.440 5.285 5.258 5.318 . 0 0 "[ . 1 . 2]" 3
933 1 58 LYS HA 1 61 HIS H . . 4.020 3.952 3.892 3.989 . 0 0 "[ . 1 . 2]" 3
934 1 42 PHE QE 1 58 LYS HA . . 3.960 3.307 3.133 3.463 . 0 0 "[ . 1 . 2]" 3
935 1 42 PHE QD 1 58 LYS HA . . 3.980 2.972 2.791 3.198 . 0 0 "[ . 1 . 2]" 3
936 1 58 LYS HA 1 59 GLN HA . . 5.030 4.880 4.875 4.883 . 0 0 "[ . 1 . 2]" 3
937 1 58 LYS HA 1 58 LYS HD2 . . 4.330 2.841 2.288 3.755 . 0 0 "[ . 1 . 2]" 3
938 1 58 LYS HA 1 58 LYS HG2 . . 4.210 3.870 3.861 3.875 . 0 0 "[ . 1 . 2]" 3
939 1 56 VAL MG2 1 58 LYS HA . . 4.950 4.613 4.586 4.658 . 0 0 "[ . 1 . 2]" 3
940 1 58 LYS HA 1 61 HIS HA . . 5.500 5.518 5.455 5.558 0.058 8 0 "[ . 1 . 2]" 3
941 1 45 LEU HB2 1 46 VAL HA . . 5.180 4.998 4.909 5.064 . 0 0 "[ . 1 . 2]" 3
942 1 45 LEU HB3 1 46 VAL HA . . 4.640 4.647 4.602 4.703 0.063 10 0 "[ . 1 . 2]" 3
943 1 12 CYS HA 1 16 ALA H . . 5.190 4.591 4.506 4.677 . 0 0 "[ . 1 . 2]" 3
944 1 12 CYS HA 1 35 PHE QD . . 5.200 4.684 4.584 4.798 . 0 0 "[ . 1 . 2]" 3
945 1 12 CYS HA 1 13 TYR QD . . 5.500 5.489 5.465 5.505 0.005 17 0 "[ . 1 . 2]" 3
946 1 12 CYS HA 1 19 PHE QD . . 4.950 4.856 4.717 4.950 0.000 18 0 "[ . 1 . 2]" 3
947 1 47 PRO HG3 1 48 ARG H . . 5.120 4.397 4.122 4.689 . 0 0 "[ . 1 . 2]" 3
948 1 47 PRO HG2 1 48 ARG H . . 5.120 3.056 2.692 3.440 . 0 0 "[ . 1 . 2]" 3
949 1 30 ASN HD21 1 64 LEU HG . . 5.200 4.732 4.639 4.858 . 0 0 "[ . 1 . 2]" 3
950 1 64 LEU H 1 64 LEU HG . . 3.260 2.388 2.231 2.527 . 0 0 "[ . 1 . 2]" 3
951 1 63 ILE H 1 64 LEU HG . . 5.250 4.589 4.479 4.712 . 0 0 "[ . 1 . 2]" 3
952 1 30 ASN HD22 1 64 LEU HG . . 4.910 4.210 4.135 4.325 . 0 0 "[ . 1 . 2]" 3
953 1 60 CYS HA 1 64 LEU HG . . 4.750 3.612 3.508 3.729 . 0 0 "[ . 1 . 2]" 3
954 1 63 ILE MD 1 64 LEU HG . . 5.140 5.037 4.850 5.151 0.011 3 0 "[ . 1 . 2]" 3
955 1 11 ARG HG3 1 16 ALA MB . . 5.500 5.200 4.933 5.404 . 0 0 "[ . 1 . 2]" 3
956 1 11 ARG HA 1 11 ARG HG3 . . 3.990 3.402 3.327 3.463 . 0 0 "[ . 1 . 2]" 3
957 1 11 ARG HG3 1 18 LYS HB2 . . 5.130 4.951 4.397 5.318 0.188 17 0 "[ . 1 . 2]" 3
958 1 11 ARG H 1 11 ARG HG2 . . 3.950 3.595 3.484 3.733 . 0 0 "[ . 1 . 2]" 3
959 1 11 ARG HG2 1 18 LYS HG2 . . 4.700 4.200 2.794 4.617 . 0 0 "[ . 1 . 2]" 3
960 1 77 PRO QG 1 81 TYR QD . . 5.210 4.410 2.866 5.513 0.303 5 0 "[ . 1 . 2]" 3
961 1 48 ARG H 1 48 ARG HG2 . . 4.600 3.177 2.606 3.416 . 0 0 "[ . 1 . 2]" 3
962 1 48 ARG H 1 48 ARG HG3 . . 4.600 2.518 2.111 2.788 . 0 0 "[ . 1 . 2]" 3
963 1 45 LEU HA 1 45 LEU HG . . 3.850 3.301 3.244 3.399 . 0 0 "[ . 1 . 2]" 3
964 1 45 LEU HG 1 53 GLN HG3 . . 4.570 4.320 4.133 4.472 . 0 0 "[ . 1 . 2]" 3
965 1 45 LEU HB2 1 45 LEU HG . . 2.870 2.325 2.285 2.350 . 0 0 "[ . 1 . 2]" 3
966 1 63 ILE HA 1 66 ARG HG2 . . 5.070 2.736 1.937 5.078 0.008 9 0 "[ . 1 . 2]" 3
967 1 63 ILE HA 1 66 ARG HG3 . . 5.070 3.730 3.555 4.018 . 0 0 "[ . 1 . 2]" 3
968 1 66 ARG H 1 66 ARG HG3 . . 4.120 3.417 2.870 3.746 . 0 0 "[ . 1 . 2]" 3
969 1 66 ARG QB 1 66 ARG HG3 . . 2.770 2.375 2.312 2.422 . 0 0 "[ . 1 . 2]" 3
970 1 40 LEU HG 1 56 VAL H . . 5.500 5.265 5.150 5.334 . 0 0 "[ . 1 . 2]" 3
971 1 40 LEU H 1 40 LEU HG . . 4.780 4.616 4.605 4.622 . 0 0 "[ . 1 . 2]" 3
972 1 35 PHE HB2 1 40 LEU HG . . 4.360 4.364 4.349 4.388 0.028 17 0 "[ . 1 . 2]" 3
973 1 40 LEU HG 1 55 LYS HB2 . . 4.530 3.953 3.824 4.020 . 0 0 "[ . 1 . 2]" 3
974 1 21 LEU H 1 21 LEU HG . . 4.350 2.966 2.306 3.788 . 0 0 "[ . 1 . 2]" 3
975 1 20 THR HB 1 21 LEU HG . . 5.430 4.865 3.602 5.417 . 0 0 "[ . 1 . 2]" 3
976 1 30 ASN H 1 64 LEU QD . . 5.000 4.152 4.051 4.257 . 0 0 "[ . 1 . 2]" 3
977 1 44 ALA H 1 64 LEU QD . . 4.330 4.224 4.122 4.363 0.033 19 0 "[ . 1 . 2]" 3
978 1 45 LEU H 1 64 LEU QD . . 4.620 3.960 3.802 4.137 . 0 0 "[ . 1 . 2]" 3
979 1 63 ILE H 1 64 LEU QD . . 5.500 4.711 4.599 4.813 . 0 0 "[ . 1 . 2]" 3
980 1 30 ASN HD22 1 64 LEU QD . . 3.810 3.362 3.240 3.439 . 0 0 "[ . 1 . 2]" 3
981 1 30 ASN HA 1 64 LEU QD . . 4.800 3.984 3.923 4.025 . 0 0 "[ . 1 . 2]" 3
982 1 46 VAL HA 1 64 LEU QD . . 3.320 2.563 2.471 2.650 . 0 0 "[ . 1 . 2]" 3
983 1 47 PRO HD3 1 64 LEU QD . . 3.270 2.321 2.073 2.507 . 0 0 "[ . 1 . 2]" 3
984 1 60 CYS HB2 1 64 LEU QD . . 4.300 3.859 3.754 3.978 . 0 0 "[ . 1 . 2]" 3
985 1 56 VAL HB 1 64 LEU QD . . 4.270 3.593 3.464 3.685 . 0 0 "[ . 1 . 2]" 3
986 1 46 VAL HB 1 64 LEU QD . . 5.340 4.578 4.497 4.669 . 0 0 "[ . 1 . 2]" 3
987 1 64 LEU HB2 1 64 LEU QD . . 3.090 2.075 2.018 2.165 . 0 0 "[ . 1 . 2]" 3
988 1 64 LEU HB3 1 64 LEU QD . . 2.880 2.112 2.059 2.146 . 0 0 "[ . 1 . 2]" 3
989 1 44 ALA HA 1 64 LEU QD . . 4.850 4.246 4.053 4.363 . 0 0 "[ . 1 . 2]" 3
990 1 47 PRO HD2 1 64 LEU QD . . 3.270 2.668 2.447 2.771 . 0 0 "[ . 1 . 2]" 3
991 1 81 TYR HA 1 81 TYR QD . . 3.840 2.908 1.992 3.717 . 0 0 "[ . 1 . 2]" 3
992 1 48 ARG HA 1 48 ARG HD2 . . 4.920 4.758 3.909 4.899 . 0 0 "[ . 1 . 2]" 3
993 1 48 ARG HA 1 48 ARG HG3 . . 4.050 3.439 3.330 3.650 . 0 0 "[ . 1 . 2]" 3
994 1 48 ARG HA 1 48 ARG HG2 . . 4.050 2.498 2.414 2.659 . 0 0 "[ . 1 . 2]" 3
995 1 48 ARG HA 1 49 ALA MB . . 5.110 4.968 4.923 5.000 . 0 0 "[ . 1 . 2]" 3
996 1 40 LEU HA 1 41 SER HA . . 4.550 4.437 4.424 4.457 . 0 0 "[ . 1 . 2]" 3
997 1 40 LEU HG 1 41 SER HA . . 5.500 4.821 4.774 4.861 . 0 0 "[ . 1 . 2]" 3
998 1 35 PHE H 1 40 LEU MD2 . . 4.340 3.055 3.017 3.095 . 0 0 "[ . 1 . 2]" 3
999 1 40 LEU MD2 1 57 CYS HB2 . . 4.930 4.924 4.900 4.947 0.017 18 0 "[ . 1 . 2]" 3
1000 1 40 LEU MD2 1 56 VAL HB . . 5.500 5.516 5.486 5.531 0.031 6 0 "[ . 1 . 2]" 3
1001 1 40 LEU MD2 1 55 LYS HB2 . . 4.520 4.162 4.021 4.257 . 0 0 "[ . 1 . 2]" 3
1002 1 36 CYS H 1 40 LEU MD2 . . 5.070 4.888 4.828 4.966 . 0 0 "[ . 1 . 2]" 3
1003 1 28 CYS H 1 40 LEU MD2 . . 4.330 3.256 3.203 3.336 . 0 0 "[ . 1 . 2]" 3
1004 1 27 GLY H 1 40 LEU MD2 . . 3.880 2.418 2.391 2.459 . 0 0 "[ . 1 . 2]" 3
1005 1 40 LEU MD2 1 57 CYS H . . 4.170 3.968 3.883 4.103 . 0 0 "[ . 1 . 2]" 3
1006 1 35 PHE QD 1 40 LEU MD2 . . 3.670 2.788 2.739 2.846 . 0 0 "[ . 1 . 2]" 3
1007 1 26 TYR QD 1 40 LEU MD2 . . 4.330 3.115 3.066 3.182 . 0 0 "[ . 1 . 2]" 3
1008 1 27 GLY HA2 1 40 LEU MD2 . . 4.480 3.051 2.993 3.108 . 0 0 "[ . 1 . 2]" 3
1009 1 40 LEU MD2 1 57 CYS HA . . 4.210 4.081 4.026 4.133 . 0 0 "[ . 1 . 2]" 3
1010 1 37 ASN HA 1 40 LEU MD2 . . 5.320 4.897 4.807 5.013 . 0 0 "[ . 1 . 2]" 3
1011 1 26 TYR QB 1 40 LEU MD2 . . 3.320 1.800 1.776 1.850 . 0 0 "[ . 1 . 2]" 3
1012 1 28 CYS HB2 1 40 LEU MD2 . . 3.550 2.919 2.873 2.942 . 0 0 "[ . 1 . 2]" 3
1013 1 35 PHE HB2 1 40 LEU MD2 . . 3.480 2.043 1.997 2.115 . 0 0 "[ . 1 . 2]" 3
1014 1 40 LEU HB3 1 40 LEU MD2 . . 3.140 2.646 2.638 2.655 . 0 0 "[ . 1 . 2]" 3
1015 1 41 SER HA 1 42 PHE QD . . 5.190 4.492 4.327 4.607 . 0 0 "[ . 1 . 2]" 3
1016 1 41 SER HA 1 55 LYS QD . . 4.740 4.582 4.513 4.744 0.004 19 0 "[ . 1 . 2]" 3
1017 1 66 ARG HA 1 66 ARG QD . . 3.960 4.250 3.929 4.472 0.512 6 1 "[ .+ 1 . 2]" 3
1018 1 65 THR MG 1 66 ARG HA . . 5.500 5.458 5.412 5.510 0.010 18 0 "[ . 1 . 2]" 3
1019 1 29 LYS HA 1 46 VAL MG2 . . 5.190 4.457 4.339 4.532 . 0 0 "[ . 1 . 2]" 3
1020 1 29 LYS HA 1 56 VAL MG1 . . 5.500 4.778 4.705 4.860 . 0 0 "[ . 1 . 2]" 3
1021 1 29 LYS HA 1 30 ASN HA . . 4.820 4.766 4.757 4.780 . 0 0 "[ . 1 . 2]" 3
1022 1 28 CYS HA 1 29 LYS HA . . 4.450 4.386 4.365 4.397 . 0 0 "[ . 1 . 2]" 3
1023 1 29 LYS HA 1 29 LYS HB3 . . 2.910 2.567 2.533 2.578 . 0 0 "[ . 1 . 2]" 3
1024 1 29 LYS HA 1 29 LYS HD2 . . 3.070 3.011 2.893 3.213 0.143 14 0 "[ . 1 . 2]" 3
1025 1 29 LYS HA 1 29 LYS HD3 . . 3.070 2.000 1.970 2.052 . 0 0 "[ . 1 . 2]" 3
1026 1 21 LEU HA 1 23 LYS H . . 5.100 4.749 4.520 5.072 . 0 0 "[ . 1 . 2]" 3
1027 1 20 THR HB 1 21 LEU HA . . 5.220 4.690 4.480 4.787 . 0 0 "[ . 1 . 2]" 3
1028 1 21 LEU HA 1 22 PHE HA . . 5.500 4.710 4.652 4.746 . 0 0 "[ . 1 . 2]" 3
1029 1 21 LEU HA 1 24 LYS QE . . 5.150 4.607 3.111 5.201 0.051 17 0 "[ . 1 . 2]" 3
1030 1 21 LEU HA 1 21 LEU HG . . 3.680 2.746 2.301 3.623 . 0 0 "[ . 1 . 2]" 3
1031 1 21 LEU HA 1 24 LYS HG2 . . 4.580 4.476 3.941 4.868 0.288 18 0 "[ . 1 . 2]" 3
1032 1 29 LYS H 1 29 LYS HG3 . . 4.370 4.161 4.003 4.212 . 0 0 "[ . 1 . 2]" 3
1033 1 29 LYS HA 1 29 LYS HG3 . . 3.710 3.697 3.685 3.727 0.017 14 0 "[ . 1 . 2]" 3
1034 1 29 LYS HG3 1 54 GLN HG3 . . 4.140 2.408 2.338 2.430 . 0 0 "[ . 1 . 2]" 3
1035 1 29 LYS HG3 1 46 VAL MG1 . . 4.620 4.303 4.180 4.380 . 0 0 "[ . 1 . 2]" 3
1036 1 29 LYS HA 1 29 LYS HG2 . . 3.690 2.868 2.855 2.904 . 0 0 "[ . 1 . 2]" 3
1037 1 29 LYS QE 1 29 LYS HG2 . . 3.520 2.442 2.374 2.566 . 0 0 "[ . 1 . 2]" 3
1038 1 29 LYS HG2 1 54 GLN HB3 . . 4.100 3.099 3.043 3.176 . 0 0 "[ . 1 . 2]" 3
1039 1 29 LYS HG2 1 46 VAL MG1 . . 4.870 4.861 4.729 4.953 0.083 10 0 "[ . 1 . 2]" 3
1040 1 29 LYS HG2 1 46 VAL MG2 . . 4.760 4.103 3.998 4.173 . 0 0 "[ . 1 . 2]" 3
1041 1 29 LYS HG2 1 56 VAL MG1 . . 5.030 4.102 3.995 4.209 . 0 0 "[ . 1 . 2]" 3
1042 1 18 LYS H 1 18 LYS HG2 . . 4.850 4.481 4.328 4.546 . 0 0 "[ . 1 . 2]" 3
1043 1 18 LYS HG2 1 20 THR MG . . 4.870 2.966 2.594 4.228 . 0 0 "[ . 1 . 2]" 3
1044 1 11 ARG HG2 1 18 LYS HG3 . . 4.700 3.063 2.595 3.593 . 0 0 "[ . 1 . 2]" 3
1045 1 18 LYS HG3 1 20 THR MG . . 4.870 4.233 3.911 4.723 . 0 0 "[ . 1 . 2]" 3
1046 1 66 ARG HA 1 66 ARG QB . . 2.770 2.247 2.161 2.494 . 0 0 "[ . 1 . 2]" 3
1047 1 62 THR MG 1 66 ARG HA . . 4.890 4.258 4.099 4.407 . 0 0 "[ . 1 . 2]" 3
1048 1 24 LYS HG3 1 25 GLU H . . 4.950 4.884 4.788 4.956 0.006 18 0 "[ . 1 . 2]" 3
1049 1 23 LYS HA 1 24 LYS HG3 . . 5.430 5.049 4.426 5.497 0.067 17 0 "[ . 1 . 2]" 3
1050 1 24 LYS HG2 1 25 GLU H . . 4.790 4.381 4.177 4.642 . 0 0 "[ . 1 . 2]" 3
1051 1 24 LYS HG2 1 26 TYR QE . . 4.800 4.666 4.349 4.841 0.041 12 0 "[ . 1 . 2]" 3
1052 1 22 PHE HA 1 24 LYS HG2 . . 5.310 4.972 4.618 5.135 . 0 0 "[ . 1 . 2]" 3
1053 1 23 LYS HA 1 24 LYS HG2 . . 5.500 4.618 4.301 5.053 . 0 0 "[ . 1 . 2]" 3
1054 1 26 TYR QD 1 40 LEU MD1 . . 4.330 4.173 4.103 4.253 . 0 0 "[ . 1 . 2]" 3
1055 1 35 PHE H 1 40 LEU MD1 . . 5.500 5.362 5.298 5.408 . 0 0 "[ . 1 . 2]" 3
1056 1 28 CYS H 1 40 LEU MD1 . . 4.930 4.831 4.795 4.912 . 0 0 "[ . 1 . 2]" 3
1057 1 40 LEU MD1 1 56 VAL H . . 3.900 3.079 3.009 3.159 . 0 0 "[ . 1 . 2]" 3
1058 1 40 LEU MD1 1 57 CYS H . . 4.060 2.697 2.646 2.797 . 0 0 "[ . 1 . 2]" 3
1059 1 35 PHE QD 1 40 LEU MD1 . . 4.040 3.698 3.647 3.753 . 0 0 "[ . 1 . 2]" 3
1060 1 35 PHE QE 1 40 LEU MD1 . . 5.170 4.845 4.809 4.941 . 0 0 "[ . 1 . 2]" 3
1061 1 40 LEU MD1 1 56 VAL HA . . 3.580 2.331 2.276 2.386 . 0 0 "[ . 1 . 2]" 3
1062 1 40 LEU MD1 1 55 LYS HA . . 4.530 3.693 3.599 3.752 . 0 0 "[ . 1 . 2]" 3
1063 1 40 LEU HA 1 40 LEU MD1 . . 3.140 1.860 1.847 1.872 . 0 0 "[ . 1 . 2]" 3
1064 1 35 PHE HB3 1 40 LEU MD1 . . 4.680 4.033 3.967 4.093 . 0 0 "[ . 1 . 2]" 3
1065 1 26 TYR QB 1 40 LEU MD1 . . 4.000 3.784 3.756 3.808 . 0 0 "[ . 1 . 2]" 3
1066 1 28 CYS HB2 1 40 LEU MD1 . . 3.820 3.628 3.587 3.680 . 0 0 "[ . 1 . 2]" 3
1067 1 35 PHE HB2 1 40 LEU MD1 . . 3.660 3.409 3.354 3.439 . 0 0 "[ . 1 . 2]" 3
1068 1 40 LEU MD1 1 55 LYS HB2 . . 3.680 3.635 3.538 3.699 0.019 4 0 "[ . 1 . 2]" 3
1069 1 40 LEU HB2 1 40 LEU MD1 . . 3.050 2.712 2.692 2.733 . 0 0 "[ . 1 . 2]" 3
1070 1 40 LEU HB3 1 40 LEU MD1 . . 3.340 3.103 3.094 3.109 . 0 0 "[ . 1 . 2]" 3
1071 1 40 LEU MD1 1 57 CYS HB3 . . 3.670 2.816 2.769 2.881 . 0 0 "[ . 1 . 2]" 3
1072 1 42 PHE HA 1 42 PHE QE . . 4.930 4.823 4.796 4.852 . 0 0 "[ . 1 . 2]" 3
1073 1 42 PHE HA 1 42 PHE QD . . 3.540 3.109 3.040 3.190 . 0 0 "[ . 1 . 2]" 3
1074 1 42 PHE HA 1 43 SER HA . . 4.830 4.466 4.447 4.483 . 0 0 "[ . 1 . 2]" 3
1075 1 42 PHE HA 1 61 HIS HB2 . . 4.870 4.583 4.520 4.614 . 0 0 "[ . 1 . 2]" 3
1076 1 42 PHE HA 1 56 VAL MG2 . . 4.530 4.515 4.449 4.535 0.005 18 0 "[ . 1 . 2]" 3
1077 1 24 LYS HA 1 25 GLU H . . 2.800 2.454 2.370 2.547 . 0 0 "[ . 1 . 2]" 3
1078 1 24 LYS HA 1 25 GLU HA . . 4.730 4.386 4.363 4.413 . 0 0 "[ . 1 . 2]" 3
1079 1 19 PHE HB3 1 24 LYS HA . . 4.250 3.765 3.534 3.804 . 0 0 "[ . 1 . 2]" 3
1080 1 19 PHE HB2 1 24 LYS HA . . 5.500 5.472 5.232 5.511 0.011 13 0 "[ . 1 . 2]" 3
1081 1 24 LYS HA 1 24 LYS QD . . 3.770 3.149 2.409 3.689 . 0 0 "[ . 1 . 2]" 3
1082 1 24 LYS HA 1 24 LYS HG3 . . 3.730 3.625 3.439 3.788 0.058 17 0 "[ . 1 . 2]" 3
1083 1 24 LYS HA 1 24 LYS HG2 . . 3.480 2.534 2.421 2.750 . 0 0 "[ . 1 . 2]" 3
1084 1 24 LYS HA 1 25 GLU QB . . 4.290 4.038 4.017 4.060 . 0 0 "[ . 1 . 2]" 3
1085 1 19 PHE QD 1 24 LYS HA . . 4.590 4.546 4.383 4.842 0.252 18 0 "[ . 1 . 2]" 3
1086 1 64 LEU HA 1 64 LEU QD . . 2.670 2.239 2.058 2.375 . 0 0 "[ . 1 . 2]" 3
1087 1 20 THR H 1 24 LYS HA . . 5.030 4.165 3.766 4.617 . 0 0 "[ . 1 . 2]" 3
1088 1 53 GLN HA 1 54 GLN H . . 2.570 2.295 2.174 2.368 . 0 0 "[ . 1 . 2]" 3
1089 1 46 VAL H 1 53 GLN HA . . 4.130 3.798 3.587 3.893 . 0 0 "[ . 1 . 2]" 3
1090 1 53 GLN HA 1 53 GLN HG3 . . 3.700 2.713 2.554 2.830 . 0 0 "[ . 1 . 2]" 3
1091 1 53 GLN HA 1 53 GLN HG2 . . 3.980 2.742 2.620 2.917 . 0 0 "[ . 1 . 2]" 3
1092 1 45 LEU HB2 1 53 GLN HA . . 5.450 4.843 4.754 4.929 . 0 0 "[ . 1 . 2]" 3
1093 1 45 LEU HG 1 53 GLN HA . . 4.460 4.177 3.979 4.359 . 0 0 "[ . 1 . 2]" 3
1094 1 44 ALA MB 1 53 GLN HA . . 4.750 4.428 4.208 4.515 . 0 0 "[ . 1 . 2]" 3
1095 1 46 VAL MG2 1 53 GLN HA . . 4.170 4.040 3.938 4.156 . 0 0 "[ . 1 . 2]" 3
1096 1 45 LEU QD 1 53 GLN HA . . 3.240 2.203 2.070 2.346 . 0 0 "[ . 1 . 2]" 3
1097 1 64 LEU HA 1 64 LEU HG . . 3.220 2.881 2.850 2.946 . 0 0 "[ . 1 . 2]" 3
1098 1 9 GLU HA 1 11 ARG H . . 5.500 5.462 5.311 5.524 0.024 2 0 "[ . 1 . 2]" 3
1099 1 9 GLU HA 1 9 GLU HG2 . . 3.580 2.822 2.216 3.558 . 0 0 "[ . 1 . 2]" 3
1100 1 9 GLU HA 1 9 GLU HG3 . . 3.580 2.994 2.181 3.606 0.026 14 0 "[ . 1 . 2]" 3
1101 1 40 LEU MD1 1 55 LYS HG3 . . 4.720 4.874 4.771 4.935 0.215 16 0 "[ . 1 . 2]" 3
1102 1 54 GLN HA 1 55 LYS HG2 . . 5.010 3.878 3.817 3.948 . 0 0 "[ . 1 . 2]" 3
1103 1 40 LEU MD1 1 55 LYS HG2 . . 5.250 5.234 5.142 5.279 0.029 15 0 "[ . 1 . 2]" 3
1104 1 21 LEU MD1 1 22 PHE H . . 5.030 3.972 3.474 4.723 . 0 0 "[ . 1 . 2]" 3
1105 1 21 LEU MD1 1 22 PHE QE . . 5.110 4.021 2.931 5.141 0.031 15 0 "[ . 1 . 2]" 3
1106 1 20 THR HB 1 21 LEU MD1 . . 5.500 3.433 2.636 5.095 . 0 0 "[ . 1 . 2]" 3
1107 1 21 LEU HA 1 21 LEU MD1 . . 3.630 3.181 1.943 3.777 0.147 13 0 "[ . 1 . 2]" 3
1108 1 9 GLU HA 1 10 SER HA . . 4.560 4.369 4.297 4.562 0.002 3 0 "[ . 1 . 2]" 3
1109 1 74 LYS HA 1 75 TRP HB2 . . 5.500 4.803 4.349 5.531 0.031 14 0 "[ . 1 . 2]" 3
1110 1 74 LYS HA 1 75 TRP HB3 . . 5.500 4.563 3.874 5.121 . 0 0 "[ . 1 . 2]" 3
1111 1 13 TYR QD 1 33 ARG HA . . 5.310 4.938 4.842 5.000 . 0 0 "[ . 1 . 2]" 3
1112 1 33 ARG HA 1 35 PHE QE . . 5.500 4.674 4.644 4.701 . 0 0 "[ . 1 . 2]" 3
1113 1 33 ARG HA 1 34 ALA HA . . 4.620 4.337 4.330 4.345 . 0 0 "[ . 1 . 2]" 3
1114 1 13 TYR HB2 1 33 ARG HA . . 5.240 4.807 4.729 4.906 . 0 0 "[ . 1 . 2]" 3
1115 1 33 ARG HA 1 33 ARG HD3 . . 4.500 4.452 4.352 4.517 0.017 11 0 "[ . 1 . 2]" 3
1116 1 33 ARG HA 1 33 ARG HD2 . . 4.740 4.636 4.622 4.649 . 0 0 "[ . 1 . 2]" 3
1117 1 33 ARG HA 1 33 ARG HG3 . . 3.520 3.069 2.986 3.188 . 0 0 "[ . 1 . 2]" 3
1118 1 33 ARG HA 1 33 ARG HG2 . . 3.480 2.645 2.587 2.699 . 0 0 "[ . 1 . 2]" 3
1119 1 74 LYS HA 1 74 LYS QG . . 3.680 2.499 2.147 3.424 . 0 0 "[ . 1 . 2]" 3
1120 1 12 CYS H 1 18 LYS HA . . 4.210 4.064 3.911 4.192 . 0 0 "[ . 1 . 2]" 3
1121 1 18 LYS HA 1 19 PHE QD . . 5.120 4.543 4.440 4.621 . 0 0 "[ . 1 . 2]" 3
1122 1 11 ARG HG3 1 18 LYS HA . . 4.310 4.162 4.006 4.280 . 0 0 "[ . 1 . 2]" 3
1123 1 11 ARG HG2 1 18 LYS HA . . 3.270 2.439 2.271 2.589 . 0 0 "[ . 1 . 2]" 3
1124 1 11 ARG HD2 1 18 LYS HA . . 5.500 4.563 3.815 5.376 . 0 0 "[ . 1 . 2]" 3
1125 1 11 ARG HD3 1 18 LYS HA . . 5.500 3.989 3.643 4.750 . 0 0 "[ . 1 . 2]" 3
1126 1 18 LYS HA 1 18 LYS HG3 . . 3.770 2.672 2.433 3.463 . 0 0 "[ . 1 . 2]" 3
1127 1 55 LYS H 1 55 LYS HG3 . . 3.610 3.618 3.583 3.687 0.077 12 0 "[ . 1 . 2]" 3
1128 1 55 LYS HA 1 55 LYS HG3 . . 3.860 3.751 3.727 3.769 . 0 0 "[ . 1 . 2]" 3
1129 1 55 LYS HB3 1 55 LYS HG3 . . 2.800 2.486 2.462 2.496 . 0 0 "[ . 1 . 2]" 3
1130 1 19 PHE QD 1 23 LYS HG2 . . 4.620 3.798 3.451 4.145 . 0 0 "[ . 1 . 2]" 3
1131 1 19 PHE HA 1 23 LYS HG2 . . 4.910 3.708 3.297 4.118 . 0 0 "[ . 1 . 2]" 3
1132 1 17 VAL MG2 1 23 LYS HG2 . . 4.200 2.160 1.976 2.643 . 0 0 "[ . 1 . 2]" 3
1133 1 17 VAL MG2 1 23 LYS HG3 . . 4.200 3.722 3.515 4.189 . 0 0 "[ . 1 . 2]" 3
1134 1 58 LYS H 1 58 LYS HG3 . . 4.720 4.455 4.441 4.463 . 0 0 "[ . 1 . 2]" 3
1135 1 74 LYS HA 1 74 LYS QD . . 4.530 3.136 2.040 4.232 . 0 0 "[ . 1 . 2]" 3
1136 1 23 LYS HG2 1 36 CYS HB2 . . 4.950 3.267 2.899 3.659 . 0 0 "[ . 1 . 2]" 3
1137 1 19 PHE QD 1 23 LYS HG3 . . 4.620 3.009 2.762 3.353 . 0 0 "[ . 1 . 2]" 3
1138 1 58 LYS H 1 58 LYS HG2 . . 4.720 4.640 4.624 4.648 . 0 0 "[ . 1 . 2]" 3
1139 1 42 PHE QE 1 58 LYS HG2 . . 5.240 4.563 4.412 4.709 . 0 0 "[ . 1 . 2]" 3
1140 1 42 PHE HZ 1 58 LYS HG2 . . 5.500 4.576 4.395 4.691 . 0 0 "[ . 1 . 2]" 3
1141 1 58 LYS HG2 1 59 GLN HA . . 5.090 4.495 4.449 4.546 . 0 0 "[ . 1 . 2]" 3
1142 1 58 LYS HA 1 58 LYS HG3 . . 4.210 3.002 2.967 3.022 . 0 0 "[ . 1 . 2]" 3
1143 1 37 ASN HA 1 40 LEU H . . 3.740 3.653 3.566 3.699 . 0 0 "[ . 1 . 2]" 3
1144 1 26 TYR QD 1 37 ASN HA . . 4.010 3.429 3.323 3.567 . 0 0 "[ . 1 . 2]" 3
1145 1 26 TYR QE 1 37 ASN HA . . 4.260 3.561 3.453 3.710 . 0 0 "[ . 1 . 2]" 3
1146 1 36 CYS HA 1 37 ASN HA . . 4.750 4.308 4.298 4.311 . 0 0 "[ . 1 . 2]" 3
1147 1 37 ASN HA 1 40 LEU HA . . 5.500 5.389 5.346 5.447 . 0 0 "[ . 1 . 2]" 3
1148 1 36 CYS HB2 1 37 ASN HA . . 5.420 5.188 5.127 5.225 . 0 0 "[ . 1 . 2]" 3
1149 1 37 ASN HA 1 37 ASN HB2 . . 2.980 2.302 2.283 2.333 . 0 0 "[ . 1 . 2]" 3
1150 1 37 ASN HA 1 40 LEU HG . . 5.030 4.723 4.573 4.932 . 0 0 "[ . 1 . 2]" 3
1151 1 37 ASN HA 1 40 LEU HB3 . . 3.600 2.981 2.895 3.099 . 0 0 "[ . 1 . 2]" 3
1152 1 79 GLN HA 1 79 GLN QG . . 3.980 2.718 2.144 3.338 . 0 0 "[ . 1 . 2]" 3
1153 1 25 GLU HA 1 26 TYR H . . 3.000 2.161 2.146 2.185 . 0 0 "[ . 1 . 2]" 3
1154 1 19 PHE HZ 1 25 GLU HA . . 4.570 4.080 3.907 4.192 . 0 0 "[ . 1 . 2]" 3
1155 1 25 GLU HA 1 36 CYS HA . . 5.040 3.256 3.050 3.449 . 0 0 "[ . 1 . 2]" 3
1156 1 25 GLU HA 1 26 TYR QB . . 4.670 4.217 4.191 4.253 . 0 0 "[ . 1 . 2]" 3
1157 1 25 GLU HA 1 25 GLU HG3 . . 4.070 2.824 2.406 3.652 . 0 0 "[ . 1 . 2]" 3
1158 1 21 LEU MD2 1 22 PHE H . . 5.030 4.381 3.207 4.864 . 0 0 "[ . 1 . 2]" 3
1159 1 21 LEU MD2 1 22 PHE QE . . 5.110 4.453 2.799 5.166 0.056 17 0 "[ . 1 . 2]" 3
1160 1 20 THR HB 1 21 LEU MD2 . . 5.500 4.717 2.529 5.564 0.064 13 0 "[ . 1 . 2]" 3
1161 1 21 LEU HA 1 21 LEU MD2 . . 3.630 3.215 1.943 3.572 . 0 0 "[ . 1 . 2]" 3
1162 1 25 GLU HA 1 35 PHE H . . 5.070 5.023 4.942 5.083 0.013 6 0 "[ . 1 . 2]" 3
1163 1 25 GLU HA 1 26 TYR QD . . 4.580 3.143 2.997 3.262 . 0 0 "[ . 1 . 2]" 3
1164 1 19 PHE QD 1 25 GLU HA . . 4.390 2.894 2.734 3.225 . 0 0 "[ . 1 . 2]" 3
1165 1 19 PHE QE 1 25 GLU HA . . 3.830 3.090 2.981 3.272 . 0 0 "[ . 1 . 2]" 3
1166 1 44 ALA MB 1 61 HIS HD2 . . 3.350 3.192 3.028 3.351 0.001 3 0 "[ . 1 . 2]" 3
1167 1 43 SER HA 1 44 ALA MB . . 4.330 3.901 3.870 3.929 . 0 0 "[ . 1 . 2]" 3
1168 1 44 ALA MB 1 46 VAL HA . . 5.160 4.873 4.815 4.905 . 0 0 "[ . 1 . 2]" 3
1169 1 44 ALA MB 1 64 LEU HA . . 5.020 5.013 4.912 5.128 0.108 17 0 "[ . 1 . 2]" 3
1170 1 44 ALA MB 1 61 HIS HA . . 3.410 2.338 2.245 2.513 . 0 0 "[ . 1 . 2]" 3
1171 1 44 ALA MB 1 61 HIS HB2 . . 4.380 3.427 3.327 3.569 . 0 0 "[ . 1 . 2]" 3
1172 1 44 ALA H 1 44 ALA MB . . 3.250 2.798 2.735 2.861 . 0 0 "[ . 1 . 2]" 3
1173 1 44 ALA MB 1 64 LEU H . . 4.640 4.358 4.260 4.552 . 0 0 "[ . 1 . 2]" 3
1174 1 44 ALA MB 1 45 LEU HA . . 4.670 4.453 4.414 4.491 . 0 0 "[ . 1 . 2]" 3
1175 1 42 PHE HB3 1 44 ALA MB . . 4.990 4.614 4.542 4.735 . 0 0 "[ . 1 . 2]" 3
1176 1 8 MET HA 1 9 GLU H . . 3.200 2.394 2.143 2.827 . 0 0 "[ . 1 . 2]" 3
1177 1 8 MET HA 1 11 ARG HG2 . . 4.890 4.912 3.293 5.496 0.606 1 3 "[+ . -1 . *]" 3
1178 1 30 ASN H 1 46 VAL MG2 . . 4.300 2.764 2.591 2.851 . 0 0 "[ . 1 . 2]" 3
1179 1 46 VAL MG2 1 54 GLN H . . 3.670 2.618 2.421 2.750 . 0 0 "[ . 1 . 2]" 3
1180 1 46 VAL H 1 46 VAL MG2 . . 3.200 2.533 2.453 2.640 . 0 0 "[ . 1 . 2]" 3
1181 1 46 VAL MG2 1 56 VAL HA . . 4.980 4.660 4.563 4.731 . 0 0 "[ . 1 . 2]" 3
1182 1 30 ASN HA 1 46 VAL MG2 . . 4.200 3.541 3.437 3.739 . 0 0 "[ . 1 . 2]" 3
1183 1 46 VAL MG2 1 54 GLN HA . . 4.530 4.407 4.308 4.482 . 0 0 "[ . 1 . 2]" 3
1184 1 46 VAL HA 1 46 VAL MG2 . . 2.860 2.416 2.370 2.482 . 0 0 "[ . 1 . 2]" 3
1185 1 45 LEU HA 1 46 VAL MG2 . . 3.930 3.610 3.489 3.675 . 0 0 "[ . 1 . 2]" 3
1186 1 46 VAL MG2 1 47 PRO HD2 . . 4.520 3.741 3.698 3.803 . 0 0 "[ . 1 . 2]" 3
1187 1 46 VAL MG2 1 47 PRO HD3 . . 4.520 4.351 4.318 4.404 . 0 0 "[ . 1 . 2]" 3
1188 1 30 ASN HB3 1 46 VAL MG2 . . 4.140 4.001 3.849 4.154 0.014 4 0 "[ . 1 . 2]" 3
1189 1 30 ASN HB2 1 46 VAL MG2 . . 3.330 2.712 2.564 2.922 . 0 0 "[ . 1 . 2]" 3
1190 1 29 LYS HB2 1 46 VAL MG2 . . 3.510 2.121 1.964 2.274 . 0 0 "[ . 1 . 2]" 3
1191 1 45 LEU QD 1 54 GLN H . . 4.520 3.928 3.838 4.026 . 0 0 "[ . 1 . 2]" 3
1192 1 45 LEU QD 1 53 GLN H . . 3.780 2.202 2.101 2.297 . 0 0 "[ . 1 . 2]" 3
1193 1 45 LEU QD 1 46 VAL H . . 3.840 3.358 3.244 3.492 . 0 0 "[ . 1 . 2]" 3
1194 1 45 LEU QD 1 53 GLN HE21 . . 5.180 3.997 3.391 4.734 . 0 0 "[ . 1 . 2]" 3
1195 1 45 LEU QD 1 52 THR H . . 4.670 3.424 3.238 3.593 . 0 0 "[ . 1 . 2]" 3
1196 1 45 LEU QD 1 53 GLN HE22 . . 5.180 5.132 4.756 5.531 0.351 19 0 "[ . 1 . 2]" 3
1197 1 45 LEU QD 1 52 THR HA . . 3.490 2.335 2.238 2.442 . 0 0 "[ . 1 . 2]" 3
1198 1 45 LEU HA 1 45 LEU QD . . 2.670 1.919 1.880 1.966 . 0 0 "[ . 1 . 2]" 3
1199 1 45 LEU QD 1 53 GLN HG3 . . 3.410 3.197 2.930 3.286 . 0 0 "[ . 1 . 2]" 3
1200 1 45 LEU QD 1 53 GLN HB2 . . 3.460 2.071 1.954 2.187 . 0 0 "[ . 1 . 2]" 3
1201 1 45 LEU HA 1 53 GLN HG3 . . 5.040 4.525 4.283 4.641 . 0 0 "[ . 1 . 2]" 3
1202 1 45 LEU HA 1 53 GLN HG2 . . 5.500 5.066 4.905 5.302 . 0 0 "[ . 1 . 2]" 3
1203 1 45 LEU HA 1 54 GLN H . . 3.740 3.409 3.298 3.514 . 0 0 "[ . 1 . 2]" 3
1204 1 45 LEU HA 1 46 VAL H . . 2.700 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 3
1205 1 45 LEU HA 1 46 VAL MG1 . . 5.500 5.461 5.449 5.468 . 0 0 "[ . 1 . 2]" 3
1206 1 17 VAL MG2 1 19 PHE QD . . 5.110 4.771 4.553 4.916 . 0 0 "[ . 1 . 2]" 3
1207 1 17 VAL MG2 1 18 LYS H . . 3.020 2.314 1.887 2.799 . 0 0 "[ . 1 . 2]" 3
1208 1 17 VAL HA 1 17 VAL MG2 . . 2.860 2.247 2.118 2.328 . 0 0 "[ . 1 . 2]" 3
1209 1 17 VAL MG2 1 36 CYS HB2 . . 4.510 4.386 4.267 4.515 0.005 6 0 "[ . 1 . 2]" 3
1210 1 17 VAL MG2 1 23 LYS QE . . 3.400 2.183 1.882 2.563 . 0 0 "[ . 1 . 2]" 3
1211 1 17 VAL MG2 1 36 CYS HB3 . . 4.350 4.336 4.224 4.371 0.021 17 0 "[ . 1 . 2]" 3
1212 1 12 CYS HB2 1 17 VAL MG2 . . 4.700 4.720 4.653 4.837 0.137 17 0 "[ . 1 . 2]" 3
1213 1 17 VAL MG2 1 18 LYS HA . . 4.730 4.236 4.055 4.371 . 0 0 "[ . 1 . 2]" 3
1214 1 44 ALA HA 1 56 VAL MG1 . . 5.200 4.751 4.677 4.808 . 0 0 "[ . 1 . 2]" 3
1215 1 28 CYS HA 1 56 VAL MG1 . . 4.250 4.013 3.991 4.026 . 0 0 "[ . 1 . 2]" 3
1216 1 30 ASN HB3 1 56 VAL MG1 . . 3.860 3.239 3.170 3.339 . 0 0 "[ . 1 . 2]" 3
1217 1 56 VAL MG1 1 61 HIS HA . . 4.700 4.184 4.133 4.234 . 0 0 "[ . 1 . 2]" 3
1218 1 29 LYS HB3 1 56 VAL MG1 . . 4.440 4.082 3.986 4.220 . 0 0 "[ . 1 . 2]" 3
1219 1 29 LYS HG3 1 56 VAL MG1 . . 4.820 4.233 4.129 4.345 . 0 0 "[ . 1 . 2]" 3
1220 1 56 VAL MG1 1 60 CYS HB2 . . 4.160 3.766 3.722 3.809 . 0 0 "[ . 1 . 2]" 3
1221 1 56 VAL MG1 1 60 CYS HB3 . . 3.950 3.293 3.223 3.329 . 0 0 "[ . 1 . 2]" 3
1222 1 56 VAL H 1 56 VAL MG1 . . 3.480 2.770 2.722 2.829 . 0 0 "[ . 1 . 2]" 3
1223 1 56 VAL MG1 1 57 CYS H . . 3.830 3.718 3.668 3.753 . 0 0 "[ . 1 . 2]" 3
1224 1 56 VAL HA 1 56 VAL MG1 . . 2.910 2.408 2.391 2.424 . 0 0 "[ . 1 . 2]" 3
1225 1 54 GLN HA 1 56 VAL MG1 . . 4.710 4.716 4.658 4.765 0.055 18 0 "[ . 1 . 2]" 3
1226 1 30 ASN HB2 1 56 VAL MG1 . . 3.420 2.755 2.672 2.860 . 0 0 "[ . 1 . 2]" 3
1227 1 29 LYS HB2 1 56 VAL MG1 . . 3.800 2.737 2.655 2.837 . 0 0 "[ . 1 . 2]" 3
1228 1 15 CYS HA 1 16 ALA HA . . 5.430 5.158 5.147 5.168 . 0 0 "[ . 1 . 2]" 3
1229 1 11 ARG HA 1 16 ALA HA . . 5.050 4.879 4.638 5.060 0.010 6 0 "[ . 1 . 2]" 3
1230 1 12 CYS HB3 1 16 ALA HA . . 4.080 3.398 3.279 3.570 . 0 0 "[ . 1 . 2]" 3
1231 1 11 ARG HB3 1 16 ALA HA . . 3.190 2.673 2.471 2.856 . 0 0 "[ . 1 . 2]" 3
1232 1 46 VAL H 1 51 ASN HA . . 4.510 3.362 3.139 3.691 . 0 0 "[ . 1 . 2]" 3
1233 1 46 VAL HB 1 51 ASN HA . . 5.330 4.859 4.488 5.034 . 0 0 "[ . 1 . 2]" 3
1234 1 45 LEU QD 1 51 ASN HA . . 4.280 3.302 3.111 3.553 . 0 0 "[ . 1 . 2]" 3
1235 1 46 VAL MG1 1 48 ARG H . . 3.680 1.849 1.825 1.880 . 0 0 "[ . 1 . 2]" 3
1236 1 46 VAL H 1 46 VAL MG1 . . 3.880 3.847 3.832 3.864 . 0 0 "[ . 1 . 2]" 3
1237 1 46 VAL MG1 1 50 GLY H . . 4.920 4.392 3.987 4.905 . 0 0 "[ . 1 . 2]" 3
1238 1 46 VAL MG1 1 49 ALA H . . 3.020 2.394 2.189 2.573 . 0 0 "[ . 1 . 2]" 3
1239 1 30 ASN HA 1 46 VAL MG1 . . 3.040 1.963 1.915 2.159 . 0 0 "[ . 1 . 2]" 3
1240 1 46 VAL HA 1 46 VAL MG1 . . 2.820 2.300 2.275 2.349 . 0 0 "[ . 1 . 2]" 3
1241 1 46 VAL MG1 1 48 ARG HA . . 4.260 3.998 3.954 4.036 . 0 0 "[ . 1 . 2]" 3
1242 1 29 LYS HA 1 46 VAL MG1 . . 4.190 4.003 3.900 4.145 . 0 0 "[ . 1 . 2]" 3
1243 1 46 VAL MG1 1 47 PRO HD2 . . 3.720 1.979 1.941 2.027 . 0 0 "[ . 1 . 2]" 3
1244 1 46 VAL MG1 1 47 PRO HD3 . . 3.720 3.392 3.332 3.427 . 0 0 "[ . 1 . 2]" 3
1245 1 30 ASN HB3 1 46 VAL MG1 . . 3.950 3.731 3.645 3.848 . 0 0 "[ . 1 . 2]" 3
1246 1 46 VAL MG1 1 48 ARG HD2 . . 4.780 3.944 3.042 4.408 . 0 0 "[ . 1 . 2]" 3
1247 1 46 VAL MG1 1 54 GLN HB3 . . 5.500 5.406 5.242 5.517 0.017 10 0 "[ . 1 . 2]" 3
1248 1 46 VAL MG1 1 56 VAL HB . . 5.500 5.469 5.366 5.514 0.014 4 0 "[ . 1 . 2]" 3
1249 1 30 ASN HB2 1 46 VAL MG1 . . 3.220 2.493 2.415 2.584 . 0 0 "[ . 1 . 2]" 3
1250 1 20 THR H 1 20 THR MG . . 3.560 2.987 2.677 3.281 . 0 0 "[ . 1 . 2]" 3
1251 1 20 THR MG 1 21 LEU H . . 4.440 3.649 3.363 3.745 . 0 0 "[ . 1 . 2]" 3
1252 1 52 THR MG 1 54 GLN HE21 . . 3.990 3.721 3.326 3.933 . 0 0 "[ . 1 . 2]" 3
1253 1 20 THR MG 1 22 PHE QD . . 5.010 4.150 3.871 4.556 . 0 0 "[ . 1 . 2]" 3
1254 1 19 PHE QD 1 20 THR MG . . 5.500 5.297 5.191 5.396 . 0 0 "[ . 1 . 2]" 3
1255 1 52 THR H 1 52 THR MG . . 3.650 3.030 2.712 3.163 . 0 0 "[ . 1 . 2]" 3
1256 1 52 THR MG 1 54 GLN HE22 . . 4.670 4.307 4.174 4.393 . 0 0 "[ . 1 . 2]" 3
1257 1 19 PHE HA 1 20 THR MG . . 3.840 3.754 3.665 3.866 0.026 18 0 "[ . 1 . 2]" 3
1258 1 52 THR HA 1 52 THR MG . . 2.860 2.243 2.123 2.399 . 0 0 "[ . 1 . 2]" 3
1259 1 51 ASN HB2 1 52 THR MG . . 4.940 4.590 4.371 4.941 0.001 13 0 "[ . 1 . 2]" 3
1260 1 31 CYS H 1 64 LEU QD . . 5.340 4.677 4.605 4.827 . 0 0 "[ . 1 . 2]" 3
1261 1 47 PRO HB3 1 64 LEU QD . . 5.060 4.492 4.250 4.678 . 0 0 "[ . 1 . 2]" 3
1262 1 47 PRO HG2 1 64 LEU QD . . 4.340 3.861 3.691 3.985 . 0 0 "[ . 1 . 2]" 3
1263 1 47 PRO HG3 1 64 LEU QD . . 4.340 3.214 3.033 3.382 . 0 0 "[ . 1 . 2]" 3
1264 1 11 ARG HA 1 12 CYS H . . 2.730 2.625 2.566 2.654 . 0 0 "[ . 1 . 2]" 3
1265 1 11 ARG HA 1 19 PHE H . . 3.380 2.869 2.698 3.086 . 0 0 "[ . 1 . 2]" 3
1266 1 11 ARG HA 1 19 PHE QD . . 4.300 3.728 3.614 3.856 . 0 0 "[ . 1 . 2]" 3
1267 1 11 ARG HA 1 18 LYS HA . . 2.950 2.349 2.109 2.434 . 0 0 "[ . 1 . 2]" 3
1268 1 11 ARG HA 1 12 CYS HB2 . . 4.630 4.627 4.596 4.671 0.041 14 0 "[ . 1 . 2]" 3
1269 1 11 ARG HA 1 18 LYS HB2 . . 4.830 4.660 4.311 4.817 . 0 0 "[ . 1 . 2]" 3
1270 1 11 ARG HA 1 18 LYS HG2 . . 5.100 4.654 3.555 4.962 . 0 0 "[ . 1 . 2]" 3
1271 1 11 ARG HA 1 18 LYS HG3 . . 5.100 4.324 3.986 5.039 . 0 0 "[ . 1 . 2]" 3
1272 1 11 ARG HA 1 11 ARG HG2 . . 3.540 2.417 2.395 2.438 . 0 0 "[ . 1 . 2]" 3
1273 1 11 ARG HA 1 17 VAL MG2 . . 5.340 5.377 5.229 5.501 0.161 19 0 "[ . 1 . 2]" 3
1274 1 11 ARG HA 1 19 PHE QE . . 4.620 3.848 3.710 4.025 . 0 0 "[ . 1 . 2]" 3
1275 1 19 PHE H 1 20 THR MG . . 4.680 4.090 3.942 4.321 . 0 0 "[ . 1 . 2]" 3
1276 1 62 THR H 1 62 THR MG . . 3.890 3.740 3.728 3.773 . 0 0 "[ . 1 . 2]" 3
1277 1 62 THR MG 1 63 ILE H . . 3.490 3.302 3.163 3.419 . 0 0 "[ . 1 . 2]" 3
1278 1 59 GLN HA 1 62 THR MG . . 4.230 4.282 4.227 4.340 0.110 15 0 "[ . 1 . 2]" 3
1279 1 62 THR MG 1 63 ILE HA . . 3.520 3.232 3.135 3.462 . 0 0 "[ . 1 . 2]" 3
1280 1 62 THR MG 1 66 ARG QD . . 4.280 2.786 1.802 3.845 . 0 0 "[ . 1 . 2]" 3
1281 1 59 GLN QG 1 62 THR MG . . 4.770 4.661 4.617 4.734 . 0 0 "[ . 1 . 2]" 3
1282 1 11 ARG HA 1 12 CYS HB3 . . 5.150 4.858 4.778 4.917 . 0 0 "[ . 1 . 2]" 3
1283 1 11 ARG HA 1 11 ARG HD2 . . 5.430 4.373 3.873 4.813 . 0 0 "[ . 1 . 2]" 3
1284 1 12 CYS H 1 17 VAL MG1 . . 3.640 3.049 2.655 3.215 . 0 0 "[ . 1 . 2]" 3
1285 1 17 VAL MG1 1 19 PHE QD . . 4.340 3.505 3.267 3.661 . 0 0 "[ . 1 . 2]" 3
1286 1 17 VAL MG1 1 19 PHE HZ . . 5.120 4.497 4.251 4.690 . 0 0 "[ . 1 . 2]" 3
1287 1 15 CYS HB3 1 17 VAL MG1 . . 4.920 4.526 4.380 4.754 . 0 0 "[ . 1 . 2]" 3
1288 1 17 VAL MG1 1 36 CYS H . . 4.220 3.963 3.909 4.012 . 0 0 "[ . 1 . 2]" 3
1289 1 17 VAL MG1 1 19 PHE QE . . 4.110 3.315 3.074 3.474 . 0 0 "[ . 1 . 2]" 3
1290 1 11 ARG HA 1 17 VAL MG1 . . 4.790 4.299 3.938 4.514 . 0 0 "[ . 1 . 2]" 3
1291 1 16 ALA HA 1 17 VAL MG1 . . 5.020 4.502 4.439 4.610 . 0 0 "[ . 1 . 2]" 3
1292 1 17 VAL MG1 1 18 LYS HA . . 5.310 4.259 3.977 4.417 . 0 0 "[ . 1 . 2]" 3
1293 1 17 VAL MG1 1 36 CYS HB2 . . 3.590 2.842 2.727 2.958 . 0 0 "[ . 1 . 2]" 3
1294 1 12 CYS HB3 1 17 VAL MG1 . . 3.120 2.083 1.982 2.260 . 0 0 "[ . 1 . 2]" 3
1295 1 17 VAL MG1 1 23 LYS QE . . 3.600 2.629 2.177 2.987 . 0 0 "[ . 1 . 2]" 3
1296 1 17 VAL MG1 1 36 CYS HB3 . . 3.250 2.250 2.181 2.331 . 0 0 "[ . 1 . 2]" 3
1297 1 12 CYS HB2 1 17 VAL MG1 . . 3.100 2.027 1.954 2.093 . 0 0 "[ . 1 . 2]" 3
1298 1 34 ALA MB 1 35 PHE H . . 3.450 3.128 3.067 3.191 . 0 0 "[ . 1 . 2]" 3
1299 1 26 TYR H 1 34 ALA MB . . 4.970 4.446 4.310 4.559 . 0 0 "[ . 1 . 2]" 3
1300 1 13 TYR QD 1 34 ALA MB . . 4.510 4.215 4.137 4.297 . 0 0 "[ . 1 . 2]" 3
1301 1 19 PHE QD 1 34 ALA MB . . 4.540 4.175 4.098 4.233 . 0 0 "[ . 1 . 2]" 3
1302 1 19 PHE QE 1 34 ALA MB . . 3.060 2.285 2.187 2.450 . 0 0 "[ . 1 . 2]" 3
1303 1 19 PHE HZ 1 34 ALA MB . . 3.440 2.676 2.465 2.932 . 0 0 "[ . 1 . 2]" 3
1304 1 27 GLY HA2 1 34 ALA MB . . 4.210 4.091 4.020 4.152 . 0 0 "[ . 1 . 2]" 3
1305 1 25 GLU HA 1 34 ALA MB . . 4.990 4.974 4.876 5.006 0.016 20 0 "[ . 1 . 2]" 3
1306 1 13 TYR HB2 1 34 ALA MB . . 4.410 3.634 3.538 3.751 . 0 0 "[ . 1 . 2]" 3
1307 1 34 ALA MB 1 35 PHE HB2 . . 5.300 5.181 5.140 5.210 . 0 0 "[ . 1 . 2]" 3
1308 1 64 LEU H 1 65 THR MG . . 4.720 4.271 4.043 4.563 . 0 0 "[ . 1 . 2]" 3
1309 1 61 HIS HE1 1 65 THR MG . . 4.260 3.991 3.813 4.268 0.008 18 0 "[ . 1 . 2]" 3
1310 1 61 HIS HB2 1 65 THR MG . . 5.180 5.042 4.885 5.156 . 0 0 "[ . 1 . 2]" 3
1311 1 47 PRO HD2 1 48 ARG H . . 5.210 2.874 2.697 3.095 . 0 0 "[ . 1 . 2]" 3
1312 1 46 VAL H 1 47 PRO HD2 . . 4.960 4.796 4.782 4.813 . 0 0 "[ . 1 . 2]" 3
1313 1 47 PRO HD3 1 48 ARG H . . 5.210 3.962 3.869 4.079 . 0 0 "[ . 1 . 2]" 3
1314 1 46 VAL H 1 47 PRO HD3 . . 4.960 4.638 4.591 4.693 . 0 0 "[ . 1 . 2]" 3
1315 1 46 VAL HA 1 47 PRO HD3 . . 2.910 2.300 2.280 2.310 . 0 0 "[ . 1 . 2]" 3
1316 1 72 ALA MB 1 73 SER HA . . 4.840 4.170 3.702 4.583 . 0 0 "[ . 1 . 2]" 3
1317 1 72 ALA MB 1 73 SER QB . . 4.910 4.234 3.212 4.915 0.005 14 0 "[ . 1 . 2]" 3
1318 1 49 ALA MB 1 50 GLY H . . 4.210 3.201 2.772 3.660 . 0 0 "[ . 1 . 2]" 3
1319 1 49 ALA H 1 49 ALA MB . . 2.990 2.161 2.074 2.233 . 0 0 "[ . 1 . 2]" 3
1320 1 29 LYS QE 1 49 ALA MB . . 3.670 3.592 3.313 3.691 0.021 4 0 "[ . 1 . 2]" 3
1321 1 49 ALA MB 1 54 GLN HG2 . . 3.890 3.266 2.786 3.573 . 0 0 "[ . 1 . 2]" 3
1322 1 48 ARG H 1 49 ALA MB . . 5.110 4.021 3.748 4.201 . 0 0 "[ . 1 . 2]" 3
1323 1 46 VAL H 1 49 ALA MB . . 4.180 4.067 3.696 4.187 0.007 9 0 "[ . 1 . 2]" 3
1324 1 49 ALA MB 1 54 GLN HE21 . . 3.660 2.560 1.902 2.820 . 0 0 "[ . 1 . 2]" 3
1325 1 49 ALA MB 1 52 THR H . . 4.300 3.365 3.182 3.529 . 0 0 "[ . 1 . 2]" 3
1326 1 49 ALA MB 1 54 GLN HE22 . . 4.470 3.974 3.432 4.209 . 0 0 "[ . 1 . 2]" 3
1327 1 49 ALA MB 1 52 THR HB . . 4.690 4.083 3.868 4.197 . 0 0 "[ . 1 . 2]" 3
1328 1 75 TRP HZ2 1 78 PRO QD . . 4.480 3.477 2.393 4.222 . 0 0 "[ . 1 . 2]" 3
1329 1 75 TRP HH2 1 78 PRO QD . . 5.240 2.922 2.106 4.489 . 0 0 "[ . 1 . 2]" 3
1330 1 77 PRO HA 1 78 PRO QD . . 2.830 2.082 1.927 2.202 . 0 0 "[ . 1 . 2]" 3
1331 1 77 PRO HB3 1 78 PRO QD . . 3.850 2.865 2.623 3.260 . 0 0 "[ . 1 . 2]" 3
1332 1 78 PRO QD 1 81 TYR QD . . 5.000 3.450 2.031 4.986 . 0 0 "[ . 1 . 2]" 3
1333 1 78 PRO QD 1 81 TYR HB3 . . 4.980 4.692 2.799 5.815 0.835 1 5 "[+ * . 1 * - *]" 3
1334 1 77 PRO QG 1 78 PRO QD . . 4.540 4.009 3.734 4.371 . 0 0 "[ . 1 . 2]" 3
1335 1 30 ASN H 1 56 VAL MG2 . . 5.000 4.955 4.897 5.010 0.010 19 0 "[ . 1 . 2]" 3
1336 1 56 VAL MG2 1 60 CYS H . . 4.570 4.562 4.522 4.636 0.066 17 0 "[ . 1 . 2]" 3
1337 1 56 VAL MG2 1 61 HIS H . . 3.330 2.181 2.103 2.237 . 0 0 "[ . 1 . 2]" 3
1338 1 56 VAL MG2 1 64 LEU H . . 5.370 5.020 4.973 5.069 . 0 0 "[ . 1 . 2]" 3
1339 1 56 VAL H 1 56 VAL MG2 . . 2.870 2.096 2.056 2.179 . 0 0 "[ . 1 . 2]" 3
1340 1 56 VAL MG2 1 57 CYS H . . 3.700 3.428 3.325 3.486 . 0 0 "[ . 1 . 2]" 3
1341 1 56 VAL MG2 1 61 HIS HD2 . . 3.740 3.584 3.490 3.673 . 0 0 "[ . 1 . 2]" 3
1342 1 42 PHE QD 1 56 VAL MG2 . . 4.440 4.239 4.130 4.312 . 0 0 "[ . 1 . 2]" 3
1343 1 56 VAL HA 1 56 VAL MG2 . . 3.460 3.186 3.185 3.187 . 0 0 "[ . 1 . 2]" 3
1344 1 43 SER HA 1 56 VAL MG2 . . 3.550 2.775 2.663 2.833 . 0 0 "[ . 1 . 2]" 3
1345 1 56 VAL MG2 1 57 CYS HA . . 4.540 4.304 4.226 4.346 . 0 0 "[ . 1 . 2]" 3
1346 1 44 ALA HA 1 56 VAL MG2 . . 4.410 4.121 4.042 4.204 . 0 0 "[ . 1 . 2]" 3
1347 1 30 ASN HB3 1 56 VAL MG2 . . 5.270 4.751 4.686 4.817 . 0 0 "[ . 1 . 2]" 3
1348 1 56 VAL MG2 1 60 CYS HA . . 5.500 4.568 4.537 4.627 . 0 0 "[ . 1 . 2]" 3
1349 1 56 VAL MG2 1 61 HIS HA . . 3.100 2.190 2.128 2.261 . 0 0 "[ . 1 . 2]" 3
1350 1 42 PHE HB2 1 56 VAL MG2 . . 3.100 2.647 2.513 2.709 . 0 0 "[ . 1 . 2]" 3
1351 1 56 VAL MG2 1 61 HIS HB2 . . 3.030 2.055 1.999 2.094 . 0 0 "[ . 1 . 2]" 3
1352 1 42 PHE HB3 1 56 VAL MG2 . . 3.450 3.456 3.368 3.477 0.027 7 0 "[ . 1 . 2]" 3
1353 1 56 VAL MG2 1 60 CYS HB3 . . 3.810 3.030 2.969 3.110 . 0 0 "[ . 1 . 2]" 3
1354 1 56 VAL MG2 1 64 LEU HB2 . . 4.700 4.356 4.265 4.503 . 0 0 "[ . 1 . 2]" 3
1355 1 76 SER HA 1 77 PRO HD2 . . 2.950 2.237 1.919 2.455 . 0 0 "[ . 1 . 2]" 3
1356 1 84 GLY HA2 1 85 PRO HD3 . . 4.070 2.579 2.256 3.152 . 0 0 "[ . 1 . 2]" 3
1357 1 84 GLY HA3 1 85 PRO HD3 . . 4.070 3.278 2.514 4.090 0.020 5 0 "[ . 1 . 2]" 3
1358 1 62 THR HB 1 63 ILE MG . . 5.500 5.371 5.249 5.454 . 0 0 "[ . 1 . 2]" 3
1359 1 15 CYS HB2 1 16 ALA MB . . 4.850 4.495 4.436 4.543 . 0 0 "[ . 1 . 2]" 3
1360 1 16 ALA MB 1 17 VAL H . . 3.880 3.602 3.584 3.617 . 0 0 "[ . 1 . 2]" 3
1361 1 12 CYS H 1 16 ALA MB . . 4.580 4.290 4.158 4.420 . 0 0 "[ . 1 . 2]" 3
1362 1 16 ALA H 1 16 ALA MB . . 3.130 2.941 2.919 2.955 . 0 0 "[ . 1 . 2]" 3
1363 1 16 ALA MB 1 17 VAL HA . . 4.160 4.107 4.090 4.137 . 0 0 "[ . 1 . 2]" 3
1364 1 63 ILE MG 1 68 SER H . . 5.000 5.096 3.203 5.571 0.571 18 7 "[ *. * ** -* + 2]" 3
1365 1 59 GLN HB3 1 63 ILE MG . . 5.500 5.583 5.566 5.606 0.106 12 0 "[ . 1 . 2]" 3
1366 1 30 ASN HD21 1 63 ILE MG . . 5.180 5.138 4.947 5.300 0.120 6 0 "[ . 1 . 2]" 3
1367 1 63 ILE MG 1 64 LEU H . . 3.820 3.772 3.622 3.870 0.050 3 0 "[ . 1 . 2]" 3
1368 1 63 ILE H 1 63 ILE MG . . 3.830 3.723 3.701 3.743 . 0 0 "[ . 1 . 2]" 3
1369 1 30 ASN HD22 1 63 ILE MG . . 4.530 4.307 4.102 4.484 . 0 0 "[ . 1 . 2]" 3
1370 1 63 ILE MG 1 64 LEU HA . . 4.100 3.946 3.792 4.063 . 0 0 "[ . 1 . 2]" 3
1371 1 63 ILE MG 1 67 GLY QA . . 5.000 4.683 4.446 4.869 . 0 0 "[ . 1 . 2]" 3
1372 1 63 ILE HA 1 63 ILE MG . . 2.910 2.238 2.152 2.310 . 0 0 "[ . 1 . 2]" 3
1373 1 59 GLN QG 1 63 ILE MG . . 4.790 4.563 4.483 4.618 . 0 0 "[ . 1 . 2]" 3
1374 1 27 GLY HA2 1 35 PHE QD . . 4.630 3.969 3.944 3.991 . 0 0 "[ . 1 . 2]" 3
1375 1 27 GLY HA2 1 35 PHE H . . 4.070 3.098 2.966 3.166 . 0 0 "[ . 1 . 2]" 3
1376 1 27 GLY HA2 1 28 CYS H . . 2.970 2.228 2.211 2.234 . 0 0 "[ . 1 . 2]" 3
1377 1 27 GLY HA2 1 28 CYS HB2 . . 4.900 4.270 4.251 4.282 . 0 0 "[ . 1 . 2]" 3
1378 1 61 HIS HE1 1 65 THR HB . . 5.500 5.520 5.508 5.539 0.039 6 0 "[ . 1 . 2]" 3
1379 1 13 TYR QD 1 14 GLY HA3 . . 5.500 5.303 5.282 5.351 . 0 0 "[ . 1 . 2]" 3
1380 1 26 TYR QD 1 36 CYS HA . . 4.410 3.488 3.335 3.725 . 0 0 "[ . 1 . 2]" 3
1381 1 24 LYS HB2 1 26 TYR QD . . 4.770 3.496 3.288 3.769 . 0 0 "[ . 1 . 2]" 3
1382 1 13 TYR H 1 13 TYR QD . . 4.410 4.155 4.123 4.179 . 0 0 "[ . 1 . 2]" 3
1383 1 13 TYR QD 1 14 GLY H . . 5.070 4.831 4.821 4.861 . 0 0 "[ . 1 . 2]" 3
1384 1 13 TYR QD 1 35 PHE HZ . . 3.540 2.963 2.840 3.099 . 0 0 "[ . 1 . 2]" 3
1385 1 13 TYR QD 1 14 GLY HA2 . . 4.880 4.345 4.327 4.422 . 0 0 "[ . 1 . 2]" 3
1386 1 26 TYR QD 1 37 ASN H . . 4.540 2.879 2.678 3.231 . 0 0 "[ . 1 . 2]" 3
1387 1 26 TYR H 1 26 TYR QD . . 4.030 2.694 2.535 2.815 . 0 0 "[ . 1 . 2]" 3
1388 1 35 PHE QD 1 40 LEU HG . . 5.500 5.466 5.431 5.514 0.014 17 0 "[ . 1 . 2]" 3
1389 1 42 PHE QD 1 61 HIS HE1 . . 4.830 4.078 3.946 4.257 . 0 0 "[ . 1 . 2]" 3
1390 1 20 THR HB 1 22 PHE QE . . 4.490 4.147 3.250 4.508 0.018 13 0 "[ . 1 . 2]" 3
1391 1 21 LEU HB2 1 22 PHE QE . . 5.180 3.562 3.415 3.934 . 0 0 "[ . 1 . 2]" 3
1392 1 20 THR MG 1 22 PHE QE . . 5.330 4.745 3.300 5.145 . 0 0 "[ . 1 . 2]" 3
1393 1 21 LEU HB3 1 22 PHE QE . . 5.180 4.834 4.391 5.112 . 0 0 "[ . 1 . 2]" 3
1394 1 20 THR HB 1 22 PHE QD . . 4.100 3.390 3.033 3.993 . 0 0 "[ . 1 . 2]" 3
1395 1 21 LEU HB2 1 22 PHE QD . . 4.800 3.322 2.520 3.757 . 0 0 "[ . 1 . 2]" 3
1396 1 21 LEU HB3 1 22 PHE QD . . 4.800 4.481 3.859 4.802 0.002 17 0 "[ . 1 . 2]" 3
1397 1 22 PHE H 1 22 PHE QD . . 4.630 2.061 1.883 2.380 . 0 0 "[ . 1 . 2]" 3
1398 1 42 PHE QE 1 58 LYS HB2 . . 4.310 2.336 2.125 2.623 . 0 0 "[ . 1 . 2]" 3
1399 1 42 PHE QE 1 58 LYS HG3 . . 5.240 4.816 4.722 4.925 . 0 0 "[ . 1 . 2]" 3
1400 1 42 PHE HZ 1 58 LYS HD2 . . 4.760 3.634 2.901 4.158 . 0 0 "[ . 1 . 2]" 3
1401 1 42 PHE HZ 1 58 LYS HA . . 5.030 4.164 4.006 4.246 . 0 0 "[ . 1 . 2]" 3
1402 1 42 PHE HZ 1 58 LYS HG3 . . 5.500 5.129 5.008 5.213 . 0 0 "[ . 1 . 2]" 3
1403 1 19 PHE HZ 1 25 GLU QB . . 5.500 4.718 4.421 5.138 . 0 0 "[ . 1 . 2]" 3
1404 1 19 PHE HZ 1 36 CYS HA . . 5.210 4.091 3.857 4.317 . 0 0 "[ . 1 . 2]" 3
1405 1 75 TRP HA 1 75 TRP HD1 . . 4.800 3.669 3.233 4.898 0.098 20 0 "[ . 1 . 2]" 3
1406 1 56 VAL HA 1 57 CYS H . . 3.050 2.392 2.358 2.448 . 0 0 "[ . 1 . 2]" 3
1407 1 56 VAL HA 1 56 VAL HB . . 2.980 2.440 2.430 2.451 . 0 0 "[ . 1 . 2]" 3
1408 1 56 VAL HA 1 57 CYS HB3 . . 4.600 4.574 4.558 4.587 . 0 0 "[ . 1 . 2]" 3
1409 1 40 LEU MD2 1 56 VAL HA . . 3.760 3.684 3.634 3.724 . 0 0 "[ . 1 . 2]" 3
1410 1 56 VAL HA 1 60 CYS HB3 . . 5.390 4.968 4.920 5.041 . 0 0 "[ . 1 . 2]" 3
1411 1 19 PHE HA 1 23 LYS HG3 . . 4.910 3.575 3.271 3.925 . 0 0 "[ . 1 . 2]" 3
1412 1 17 VAL MG1 1 19 PHE HA . . 4.750 3.950 3.802 4.073 . 0 0 "[ . 1 . 2]" 3
1413 1 19 PHE HA 1 25 GLU QB . . 5.360 4.404 4.120 4.760 . 0 0 "[ . 1 . 2]" 3
1414 1 19 PHE HA 1 20 THR H . . 3.130 2.152 2.139 2.191 . 0 0 "[ . 1 . 2]" 3
1415 1 19 PHE HA 1 19 PHE QD . . 2.860 2.224 2.156 2.300 . 0 0 "[ . 1 . 2]" 3
1416 1 19 PHE HA 1 19 PHE QE . . 4.710 4.410 4.363 4.465 . 0 0 "[ . 1 . 2]" 3
1417 1 18 LYS HA 1 19 PHE HA . . 4.790 4.359 4.349 4.380 . 0 0 "[ . 1 . 2]" 3
1418 1 19 PHE HA 1 24 LYS HA . . 5.270 4.704 4.525 4.965 . 0 0 "[ . 1 . 2]" 3
1419 1 55 LYS HA 1 56 VAL HA . . 4.960 4.397 4.394 4.403 . 0 0 "[ . 1 . 2]" 3
1420 1 40 LEU HG 1 56 VAL HA . . 5.080 4.857 4.821 4.910 . 0 0 "[ . 1 . 2]" 3
1421 1 56 VAL HA 1 60 CYS HB2 . . 4.470 4.328 4.280 4.384 . 0 0 "[ . 1 . 2]" 3
1422 1 29 LYS HB2 1 56 VAL HA . . 5.300 4.535 4.433 4.692 . 0 0 "[ . 1 . 2]" 3
1423 1 55 LYS HB2 1 56 VAL HA . . 5.500 4.910 4.849 4.947 . 0 0 "[ . 1 . 2]" 3
1424 1 29 LYS HG2 1 56 VAL HA . . 5.470 5.018 4.885 5.077 . 0 0 "[ . 1 . 2]" 3
1425 1 55 LYS HB3 1 56 VAL HA . . 5.500 4.632 4.592 4.679 . 0 0 "[ . 1 . 2]" 3
1426 1 43 SER HA 1 56 VAL H . . 3.440 2.218 2.126 2.275 . 0 0 "[ . 1 . 2]" 3
1427 1 43 SER HA 1 55 LYS HB2 . . 5.500 5.396 5.351 5.448 . 0 0 "[ . 1 . 2]" 3
1428 1 43 SER HA 1 55 LYS HB3 . . 5.160 4.826 4.770 4.867 . 0 0 "[ . 1 . 2]" 3
1429 1 43 SER HA 1 55 LYS QD . . 4.550 3.438 3.365 3.548 . 0 0 "[ . 1 . 2]" 3
1430 1 43 SER HA 1 55 LYS HG2 . . 5.190 4.975 4.893 5.099 . 0 0 "[ . 1 . 2]" 3
1431 1 19 PHE QD 1 36 CYS HA . . 5.070 3.525 3.330 3.788 . 0 0 "[ . 1 . 2]" 3
1432 1 19 PHE QE 1 36 CYS HA . . 3.750 2.150 1.996 2.473 . 0 0 "[ . 1 . 2]" 3
1433 1 43 SER HA 1 44 ALA HA . . 4.500 4.461 4.441 4.508 0.008 19 0 "[ . 1 . 2]" 3
1434 1 35 PHE HA 1 36 CYS H . . 2.920 2.367 2.321 2.404 . 0 0 "[ . 1 . 2]" 3
1435 1 13 TYR H 1 35 PHE HA . . 3.680 2.460 2.407 2.518 . 0 0 "[ . 1 . 2]" 3
1436 1 35 PHE HA 1 35 PHE QD . . 3.530 2.736 2.678 2.764 . 0 0 "[ . 1 . 2]" 3
1437 1 35 PHE HA 1 35 PHE QE . . 4.670 4.514 4.495 4.521 . 0 0 "[ . 1 . 2]" 3
1438 1 19 PHE QE 1 35 PHE HA . . 4.130 3.772 3.558 3.921 . 0 0 "[ . 1 . 2]" 3
1439 1 19 PHE HZ 1 35 PHE HA . . 3.450 2.943 2.807 3.132 . 0 0 "[ . 1 . 2]" 3
1440 1 34 ALA HA 1 35 PHE HA . . 5.030 4.405 4.399 4.414 . 0 0 "[ . 1 . 2]" 3
1441 1 12 CYS HA 1 35 PHE HA . . 3.340 2.841 2.709 2.971 . 0 0 "[ . 1 . 2]" 3
1442 1 35 PHE HA 1 39 CYS HB2 . . 4.530 3.851 3.789 3.888 . 0 0 "[ . 1 . 2]" 3
1443 1 13 TYR HB2 1 35 PHE HA . . 4.840 4.323 4.261 4.401 . 0 0 "[ . 1 . 2]" 3
1444 1 35 PHE HA 1 36 CYS HB3 . . 5.250 4.345 4.329 4.395 . 0 0 "[ . 1 . 2]" 3
1445 1 13 TYR HB3 1 35 PHE HA . . 5.110 4.400 4.325 4.485 . 0 0 "[ . 1 . 2]" 3
1446 1 34 ALA MB 1 35 PHE HA . . 4.460 3.976 3.938 4.033 . 0 0 "[ . 1 . 2]" 3
1447 1 44 ALA H 1 55 LYS HA . . 4.370 4.117 4.039 4.182 . 0 0 "[ . 1 . 2]" 3
1448 1 55 LYS HA 1 56 VAL H . . 2.570 2.152 2.143 2.165 . 0 0 "[ . 1 . 2]" 3
1449 1 43 SER HA 1 55 LYS HA . . 3.090 2.436 2.380 2.495 . 0 0 "[ . 1 . 2]" 3
1450 1 54 GLN HA 1 55 LYS HA . . 4.770 4.303 4.302 4.305 . 0 0 "[ . 1 . 2]" 3
1451 1 55 LYS HA 1 55 LYS HB3 . . 3.020 2.504 2.479 2.524 . 0 0 "[ . 1 . 2]" 3
1452 1 55 LYS HA 1 55 LYS QD . . 3.490 1.984 1.966 2.038 . 0 0 "[ . 1 . 2]" 3
1453 1 55 LYS HA 1 55 LYS HG2 . . 3.390 2.943 2.906 2.995 . 0 0 "[ . 1 . 2]" 3
1454 1 55 LYS HA 1 56 VAL MG1 . . 3.880 3.813 3.771 3.867 . 0 0 "[ . 1 . 2]" 3
1455 1 55 LYS HA 1 56 VAL MG2 . . 4.070 3.898 3.858 3.938 . 0 0 "[ . 1 . 2]" 3
1456 1 54 GLN HB3 1 55 LYS HA . . 5.130 4.855 4.827 4.894 . 0 0 "[ . 1 . 2]" 3
1457 1 13 TYR QE 1 33 ARG HB3 . . 5.090 4.391 4.335 4.467 . 0 0 "[ . 1 . 2]" 3
1458 1 26 TYR QE 1 37 ASN H . . 4.540 3.536 3.398 3.783 . 0 0 "[ . 1 . 2]" 3
1459 1 24 LYS HA 1 26 TYR QE . . 5.160 4.734 4.610 4.889 . 0 0 "[ . 1 . 2]" 3
1460 1 24 LYS HG3 1 26 TYR QE . . 4.740 3.709 3.324 3.843 . 0 0 "[ . 1 . 2]" 3
1461 1 24 LYS HB2 1 26 TYR QE . . 3.470 2.005 1.930 2.118 . 0 0 "[ . 1 . 2]" 3
1462 1 24 LYS HB3 1 26 TYR QE . . 3.870 2.857 2.548 3.226 . 0 0 "[ . 1 . 2]" 3
1463 1 26 TYR QE 1 40 LEU MD2 . . 5.500 5.020 4.966 5.081 . 0 0 "[ . 1 . 2]" 3
1464 1 10 SER HB2 1 19 PHE QE . . 4.840 4.263 2.990 5.111 0.271 14 0 "[ . 1 . 2]" 3
1465 1 10 SER HB2 1 19 PHE QD . . 3.970 2.670 2.118 3.406 . 0 0 "[ . 1 . 2]" 3
1466 1 10 SER HB2 1 19 PHE H . . 5.220 4.336 3.696 4.901 . 0 0 "[ . 1 . 2]" 3
1467 1 10 SER HB2 1 11 ARG H . . 4.500 4.258 3.618 4.474 . 0 0 "[ . 1 . 2]" 3
1468 1 10 SER HA 1 19 PHE QD . . 4.270 4.106 3.784 4.279 0.009 14 0 "[ . 1 . 2]" 3
1469 1 10 SER HA 1 11 ARG HG3 . . 4.700 4.305 4.184 4.449 . 0 0 "[ . 1 . 2]" 3
1470 1 10 SER HA 1 11 ARG HG2 . . 5.080 4.835 4.678 4.992 . 0 0 "[ . 1 . 2]" 3
1471 1 14 GLY HA3 1 35 PHE QE . . 3.680 2.858 2.799 2.920 . 0 0 "[ . 1 . 2]" 3
1472 1 14 GLY HA3 1 35 PHE QD . . 3.700 2.876 2.819 2.932 . 0 0 "[ . 1 . 2]" 3
1473 1 14 GLY H 1 15 CYS HA . . 4.980 4.513 4.492 4.535 . 0 0 "[ . 1 . 2]" 3
1474 1 15 CYS HA 1 17 VAL H . . 4.670 4.639 4.585 4.665 . 0 0 "[ . 1 . 2]" 3
1475 1 15 CYS HA 1 15 CYS HB2 . . 2.790 2.497 2.467 2.520 . 0 0 "[ . 1 . 2]" 3
1476 1 15 CYS HA 1 15 CYS HB3 . . 2.850 2.411 2.390 2.439 . 0 0 "[ . 1 . 2]" 3
1477 1 15 CYS HA 1 16 ALA MB . . 4.050 3.753 3.698 3.854 . 0 0 "[ . 1 . 2]" 3
1478 1 17 VAL MG2 1 23 LYS HD2 . . 4.700 4.078 3.509 4.582 . 0 0 "[ . 1 . 2]" 3
1479 1 17 VAL MG1 1 23 LYS HG3 . . 3.730 3.123 2.698 3.619 . 0 0 "[ . 1 . 2]" 3
1480 1 17 VAL MG1 1 23 LYS HG2 . . 3.730 2.273 1.978 2.617 . 0 0 "[ . 1 . 2]" 3
1481 1 18 LYS HA 1 18 LYS HG2 . . 3.770 2.796 2.231 3.038 . 0 0 "[ . 1 . 2]" 3
1482 1 20 THR HA 1 20 THR MG . . 3.380 2.336 2.229 2.451 . 0 0 "[ . 1 . 2]" 3
1483 1 20 THR HB 1 21 LEU H . . 3.870 2.163 1.906 2.306 . 0 0 "[ . 1 . 2]" 3
1484 1 20 THR HB 1 22 PHE H . . 4.610 3.407 3.045 3.719 . 0 0 "[ . 1 . 2]" 3
1485 1 21 LEU HB3 1 21 LEU MD2 . . 3.550 2.357 2.048 3.102 . 0 0 "[ . 1 . 2]" 3
1486 1 21 LEU HB2 1 21 LEU MD2 . . 3.550 2.692 2.089 3.129 . 0 0 "[ . 1 . 2]" 3
1487 1 22 PHE HA 1 22 PHE QD . . 3.340 3.110 2.846 3.486 0.146 18 0 "[ . 1 . 2]" 3
1488 1 75 TRP HA 1 75 TRP HE3 . . 4.360 4.150 1.941 4.478 0.118 15 0 "[ . 1 . 2]" 3
1489 1 21 LEU HB2 1 22 PHE HA . . 4.610 4.383 4.154 4.654 0.044 13 0 "[ . 1 . 2]" 3
1490 1 21 LEU HB3 1 22 PHE HA . . 4.610 4.306 3.943 4.598 . 0 0 "[ . 1 . 2]" 3
1491 1 23 LYS HA 1 23 LYS HG3 . . 3.790 2.713 2.611 2.820 . 0 0 "[ . 1 . 2]" 3
1492 1 23 LYS HA 1 23 LYS HD2 . . 3.760 2.924 2.046 3.417 . 0 0 "[ . 1 . 2]" 3
1493 1 26 TYR HA 1 40 LEU MD2 . . 4.410 3.628 3.596 3.662 . 0 0 "[ . 1 . 2]" 3
1494 1 25 GLU HA 1 26 TYR HA . . 4.920 4.393 4.389 4.399 . 0 0 "[ . 1 . 2]" 3
1495 1 26 TYR HA 1 27 GLY HA3 . . 4.630 4.339 4.337 4.342 . 0 0 "[ . 1 . 2]" 3
1496 1 26 TYR HA 1 26 TYR QD . . 3.430 2.945 2.835 3.037 . 0 0 "[ . 1 . 2]" 3
1497 1 26 TYR HA 1 27 GLY H . . 2.940 2.387 2.368 2.401 . 0 0 "[ . 1 . 2]" 3
1498 1 28 CYS HB3 1 40 LEU MD1 . . 5.050 4.892 4.858 4.923 . 0 0 "[ . 1 . 2]" 3
1499 1 29 LYS HG3 1 46 VAL MG2 . . 4.470 3.374 3.208 3.565 . 0 0 "[ . 1 . 2]" 3
1500 1 29 LYS QE 1 54 GLN HE21 . . 5.080 3.935 3.509 4.493 . 0 0 "[ . 1 . 2]" 3
1501 1 30 ASN HA 1 48 ARG HD2 . . 4.250 3.321 2.026 4.253 0.003 10 0 "[ . 1 . 2]" 3
1502 1 33 ARG HB2 1 35 PHE QD . . 4.410 3.528 3.465 3.570 . 0 0 "[ . 1 . 2]" 3
1503 1 34 ALA HA 1 35 PHE H . . 2.750 2.154 2.145 2.167 . 0 0 "[ . 1 . 2]" 3
1504 1 34 ALA HA 1 35 PHE QD . . 4.200 3.956 3.885 4.072 . 0 0 "[ . 1 . 2]" 3
1505 1 27 GLY HA2 1 34 ALA HA . . 3.260 2.648 2.584 2.700 . 0 0 "[ . 1 . 2]" 3
1506 1 27 GLY HA3 1 34 ALA HA . . 4.190 4.137 4.043 4.197 0.007 13 0 "[ . 1 . 2]" 3
1507 1 25 GLU QB 1 34 ALA MB . . 4.600 4.584 4.401 4.634 0.034 10 0 "[ . 1 . 2]" 3
1508 1 33 ARG HB2 1 34 ALA MB . . 5.040 5.007 4.968 5.031 . 0 0 "[ . 1 . 2]" 3
1509 1 38 GLY HA2 1 39 CYS H . . 3.560 3.555 3.528 3.563 0.003 10 0 "[ . 1 . 2]" 3
1510 1 38 GLY HA3 1 39 CYS H . . 3.560 2.739 2.693 2.859 . 0 0 "[ . 1 . 2]" 3
1511 1 36 CYS H 1 39 CYS HA . . 5.260 5.314 5.277 5.385 0.125 17 0 "[ . 1 . 2]" 3
1512 1 39 CYS H 1 40 LEU HA . . 5.500 5.097 5.024 5.128 . 0 0 "[ . 1 . 2]" 3
1513 1 40 LEU HA 1 56 VAL H . . 5.500 5.394 5.277 5.473 . 0 0 "[ . 1 . 2]" 3
1514 1 40 LEU HA 1 41 SER H . . 3.140 2.582 2.546 2.632 . 0 0 "[ . 1 . 2]" 3
1515 1 40 LEU HA 1 42 PHE QD . . 4.490 3.204 3.104 3.276 . 0 0 "[ . 1 . 2]" 3
1516 1 35 PHE HB3 1 40 LEU HA . . 4.800 3.815 3.756 3.863 . 0 0 "[ . 1 . 2]" 3
1517 1 39 CYS HB3 1 40 LEU HA . . 4.770 4.403 4.288 4.450 . 0 0 "[ . 1 . 2]" 3
1518 1 35 PHE HB2 1 40 LEU HA . . 4.800 3.985 3.936 4.013 . 0 0 "[ . 1 . 2]" 3
1519 1 40 LEU HA 1 57 CYS HB2 . . 5.090 4.137 4.106 4.183 . 0 0 "[ . 1 . 2]" 3
1520 1 40 LEU HA 1 40 LEU HG . . 3.640 3.419 3.403 3.440 . 0 0 "[ . 1 . 2]" 3
1521 1 40 LEU HA 1 40 LEU MD2 . . 3.340 3.544 3.525 3.553 0.213 5 0 "[ . 1 . 2]" 3
1522 1 40 LEU HB2 1 40 LEU MD2 . . 3.480 2.021 2.005 2.041 . 0 0 "[ . 1 . 2]" 3
1523 1 43 SER HA 1 56 VAL MG1 . . 4.380 3.536 3.441 3.659 . 0 0 "[ . 1 . 2]" 3
1524 1 44 ALA HA 1 46 VAL MG2 . . 5.090 4.976 4.913 5.038 . 0 0 "[ . 1 . 2]" 3
1525 1 44 ALA HA 1 65 THR MG . . 4.480 4.455 4.293 4.508 0.028 13 0 "[ . 1 . 2]" 3
1526 1 44 ALA HA 1 45 LEU HG . . 4.420 4.287 4.166 4.385 . 0 0 "[ . 1 . 2]" 3
1527 1 44 ALA HA 1 53 GLN HG2 . . 4.910 3.629 3.188 3.887 . 0 0 "[ . 1 . 2]" 3
1528 1 44 ALA HA 1 61 HIS HA . . 5.500 5.027 4.943 5.265 . 0 0 "[ . 1 . 2]" 3
1529 1 44 ALA HA 1 53 GLN HA . . 4.750 3.513 3.261 3.679 . 0 0 "[ . 1 . 2]" 3
1530 1 44 ALA HA 1 61 HIS HD2 . . 4.960 4.788 4.643 4.921 . 0 0 "[ . 1 . 2]" 3
1531 1 44 ALA HA 1 45 LEU H . . 2.740 2.271 2.241 2.303 . 0 0 "[ . 1 . 2]" 3
1532 1 44 ALA MB 1 56 VAL MG1 . . 3.070 2.827 2.659 2.903 . 0 0 "[ . 1 . 2]" 3
1533 1 44 ALA MB 1 64 LEU QD . . 3.030 1.908 1.836 2.005 . 0 0 "[ . 1 . 2]" 3
1534 1 44 ALA MB 1 64 LEU HB3 . . 3.270 3.202 3.050 3.289 0.019 20 0 "[ . 1 . 2]" 3
1535 1 44 ALA MB 1 64 LEU HB2 . . 3.200 2.616 2.492 2.777 . 0 0 "[ . 1 . 2]" 3
1536 1 44 ALA MB 1 64 LEU HG . . 4.230 4.116 4.018 4.183 . 0 0 "[ . 1 . 2]" 3
1537 1 43 SER H 1 44 ALA MB . . 4.400 4.182 4.125 4.266 . 0 0 "[ . 1 . 2]" 3
1538 1 45 LEU HB2 1 45 LEU QD . . 2.950 2.436 2.357 2.491 . 0 0 "[ . 1 . 2]" 3
1539 1 45 LEU HB3 1 45 LEU QD . . 2.980 2.078 2.055 2.131 . 0 0 "[ . 1 . 2]" 3
1540 1 44 ALA MB 1 46 VAL MG2 . . 3.670 3.596 3.500 3.672 0.002 19 0 "[ . 1 . 2]" 3
1541 1 46 VAL MG2 1 49 ALA MB . . 3.720 3.430 3.086 3.585 . 0 0 "[ . 1 . 2]" 3
1542 1 46 VAL MG2 1 54 GLN HB2 . . 3.000 2.004 1.954 2.096 . 0 0 "[ . 1 . 2]" 3
1543 1 29 LYS HB3 1 46 VAL MG1 . . 3.290 2.427 2.304 2.531 . 0 0 "[ . 1 . 2]" 3
1544 1 46 VAL MG1 1 49 ALA MB . . 3.000 2.888 2.735 3.011 0.011 19 0 "[ . 1 . 2]" 3
1545 1 46 VAL HB 1 49 ALA MB . . 2.800 2.382 2.017 2.580 . 0 0 "[ . 1 . 2]" 3
1546 1 29 LYS HB3 1 49 ALA MB . . 3.260 3.068 2.723 3.237 . 0 0 "[ . 1 . 2]" 3
1547 1 53 GLN HA 1 54 GLN HA . . 4.650 4.447 4.396 4.485 . 0 0 "[ . 1 . 2]" 3
1548 1 54 GLN HA 1 54 GLN HG2 . . 4.050 3.008 2.950 3.054 . 0 0 "[ . 1 . 2]" 3
1549 1 54 GLN HA 1 55 LYS HB2 . . 4.960 4.797 4.764 4.855 . 0 0 "[ . 1 . 2]" 3
1550 1 54 GLN HB2 1 56 VAL MG1 . . 3.730 3.134 3.053 3.213 . 0 0 "[ . 1 . 2]" 3
1551 1 44 ALA MB 1 56 VAL MG2 . . 2.850 2.154 1.969 2.286 . 0 0 "[ . 1 . 2]" 3
1552 1 57 CYS HA 1 58 LYS H . . 2.920 2.318 2.305 2.355 . 0 0 "[ . 1 . 2]" 3
1553 1 42 PHE H 1 57 CYS HA . . 4.560 4.135 4.043 4.186 . 0 0 "[ . 1 . 2]" 3
1554 1 42 PHE QE 1 57 CYS HA . . 4.550 4.506 4.362 4.558 0.008 2 0 "[ . 1 . 2]" 3
1555 1 42 PHE QD 1 57 CYS HA . . 3.760 3.120 3.056 3.194 . 0 0 "[ . 1 . 2]" 3
1556 1 56 VAL HA 1 57 CYS HA . . 4.770 4.315 4.311 4.322 . 0 0 "[ . 1 . 2]" 3
1557 1 40 LEU HA 1 57 CYS HA . . 3.400 2.171 2.128 2.251 . 0 0 "[ . 1 . 2]" 3
1558 1 57 CYS HA 1 57 CYS HB2 . . 2.940 2.467 2.462 2.473 . 0 0 "[ . 1 . 2]" 3
1559 1 57 CYS HA 1 58 LYS HA . . 4.590 4.295 4.293 4.295 . 0 0 "[ . 1 . 2]" 3
1560 1 40 LEU HB2 1 57 CYS HA . . 4.560 3.932 3.836 4.056 . 0 0 "[ . 1 . 2]" 3
1561 1 40 LEU MD1 1 57 CYS HA . . 3.530 2.168 2.108 2.223 . 0 0 "[ . 1 . 2]" 3
1562 1 59 GLN HB3 1 59 GLN QG . . 2.580 2.455 2.407 2.467 . 0 0 "[ . 1 . 2]" 3
1563 1 59 GLN HB2 1 59 GLN QG . . 2.790 2.224 2.211 2.276 . 0 0 "[ . 1 . 2]" 3
1564 1 59 GLN QG 1 63 ILE HG13 . . 4.020 3.151 3.032 3.261 . 0 0 "[ . 1 . 2]" 3
1565 1 30 ASN HB2 1 60 CYS HB3 . . 3.850 3.256 3.238 3.278 . 0 0 "[ . 1 . 2]" 3
1566 1 62 THR MG 1 66 ARG QB . . 3.790 2.559 2.178 3.214 . 0 0 "[ . 1 . 2]" 3
1567 1 63 ILE HG12 1 63 ILE MG . . 2.930 2.663 2.531 2.706 . 0 0 "[ . 1 . 2]" 3
1568 1 63 ILE HG13 1 63 ILE MG . . 3.310 3.133 3.114 3.165 . 0 0 "[ . 1 . 2]" 3
1569 1 63 ILE HB 1 63 ILE MD . . 3.010 2.663 2.548 2.723 . 0 0 "[ . 1 . 2]" 3
1570 1 44 ALA MB 1 65 THR MG . . 3.070 2.904 2.769 2.983 . 0 0 "[ . 1 . 2]" 3
1571 1 64 LEU HB3 1 65 THR MG . . 4.300 3.868 3.737 4.008 . 0 0 "[ . 1 . 2]" 3
1572 1 64 LEU HB2 1 65 THR MG . . 3.650 3.249 3.022 3.410 . 0 0 "[ . 1 . 2]" 3
1573 1 75 TRP HE3 1 76 SER HA . . 5.150 3.636 2.817 4.865 . 0 0 "[ . 1 . 2]" 3
1574 1 76 SER HA 1 77 PRO HD3 . . 2.950 2.284 2.251 2.426 . 0 0 "[ . 1 . 2]" 3
1575 1 76 SER HA 1 77 PRO QG . . 4.880 3.910 3.764 4.036 . 0 0 "[ . 1 . 2]" 3
1576 1 40 LEU MD1 1 57 CYS HB2 . . 4.540 3.840 3.786 3.895 . 0 0 "[ . 1 . 2]" 3
1577 1 62 THR HA 1 62 THR MG . . 2.870 2.502 2.465 2.525 . 0 0 "[ . 1 . 2]" 3
1578 1 23 LYS HA 1 23 LYS HG2 . . 3.790 3.671 3.647 3.718 . 0 0 "[ . 1 . 2]" 3
1579 1 29 LYS H 1 40 LEU MD1 . . 4.630 4.485 4.428 4.536 . 0 0 "[ . 1 . 2]" 3
1580 1 43 SER QB 1 53 GLN HB3 . . 4.360 4.109 3.902 4.244 . 0 0 "[ . 1 . 2]" 3
1581 1 28 CYS HA 1 40 LEU MD1 . . 3.300 3.114 3.026 3.198 . 0 0 "[ . 1 . 2]" 3
1582 1 8 MET H 1 8 MET QB . . 3.660 2.704 2.209 3.298 . 0 0 "[ . 1 . 2]" 3
1583 1 8 MET HA 1 8 MET QG . . 3.580 2.867 2.234 3.467 . 0 0 "[ . 1 . 2]" 3
1584 1 8 MET HA 1 9 GLU QB . . 5.100 4.472 4.134 4.925 . 0 0 "[ . 1 . 2]" 3
1585 1 8 MET HA 1 11 ARG QD . . 4.710 4.224 3.621 4.688 . 0 0 "[ . 1 . 2]" 3
1586 1 9 GLU H 1 9 GLU QB . . 3.360 2.359 2.167 2.762 . 0 0 "[ . 1 . 2]" 3
1587 1 9 GLU H 1 9 GLU QG . . 3.820 3.075 2.463 3.563 . 0 0 "[ . 1 . 2]" 3
1588 1 9 GLU QB 1 10 SER H . . 4.180 2.098 1.915 2.516 . 0 0 "[ . 1 . 2]" 3
1589 1 9 GLU QG 1 10 SER H . . 4.750 3.742 3.199 4.242 . 0 0 "[ . 1 . 2]" 3
1590 1 11 ARG HA 1 11 ARG QD . . 4.780 3.753 3.629 4.020 . 0 0 "[ . 1 . 2]" 3
1591 1 11 ARG HA 1 18 LYS QG . . 4.380 3.936 3.487 4.112 . 0 0 "[ . 1 . 2]" 3
1592 1 11 ARG HB2 1 11 ARG QD . . 3.490 2.789 2.591 2.988 . 0 0 "[ . 1 . 2]" 3
1593 1 11 ARG HB3 1 11 ARG QD . . 3.060 2.128 2.055 2.279 . 0 0 "[ . 1 . 2]" 3
1594 1 11 ARG HG2 1 18 LYS QG . . 4.130 2.955 2.557 3.320 . 0 0 "[ . 1 . 2]" 3
1595 1 11 ARG HG3 1 18 LYS QG . . 5.340 4.225 3.812 4.631 . 0 0 "[ . 1 . 2]" 3
1596 1 11 ARG QD 1 12 CYS H . . 4.450 3.819 3.694 4.123 . 0 0 "[ . 1 . 2]" 3
1597 1 11 ARG QD 1 16 ALA H . . 5.340 5.311 5.198 5.364 0.024 14 0 "[ . 1 . 2]" 3
1598 1 11 ARG QD 1 16 ALA HA . . 3.810 3.366 3.225 3.508 . 0 0 "[ . 1 . 2]" 3
1599 1 11 ARG QD 1 16 ALA MB . . 3.210 3.032 2.815 3.213 0.003 11 0 "[ . 1 . 2]" 3
1600 1 11 ARG QD 1 18 LYS HA . . 4.750 3.709 3.345 4.251 . 0 0 "[ . 1 . 2]" 3
1601 1 17 VAL MG1 1 23 LYS QB . . 4.920 3.676 3.299 3.980 . 0 0 "[ . 1 . 2]" 3
1602 1 17 VAL MG1 1 23 LYS QD . . 3.970 3.526 3.111 3.846 . 0 0 "[ . 1 . 2]" 3
1603 1 17 VAL MG2 1 23 LYS QB . . 5.030 3.205 2.882 3.691 . 0 0 "[ . 1 . 2]" 3
1604 1 17 VAL MG2 1 23 LYS QD . . 4.130 3.550 3.254 3.937 . 0 0 "[ . 1 . 2]" 3
1605 1 18 LYS H 1 18 LYS QG . . 4.090 3.950 3.896 4.015 . 0 0 "[ . 1 . 2]" 3
1606 1 18 LYS H 1 18 LYS QD . . 4.520 4.471 4.339 4.548 0.028 5 0 "[ . 1 . 2]" 3
1607 1 18 LYS HA 1 18 LYS QD . . 4.190 4.017 3.312 4.141 . 0 0 "[ . 1 . 2]" 3
1608 1 18 LYS QG 1 19 PHE H . . 3.820 2.686 2.606 2.799 . 0 0 "[ . 1 . 2]" 3
1609 1 18 LYS QD 1 19 PHE H . . 4.810 4.599 2.678 4.844 0.034 12 0 "[ . 1 . 2]" 3
1610 1 18 LYS QD 1 20 THR MG . . 4.030 3.173 2.019 3.841 . 0 0 "[ . 1 . 2]" 3
1611 1 19 PHE H 1 23 LYS QG . . 5.340 5.181 4.912 5.490 0.150 17 0 "[ . 1 . 2]" 3
1612 1 19 PHE HA 1 23 LYS QB . . 3.700 2.467 2.304 2.607 . 0 0 "[ . 1 . 2]" 3
1613 1 19 PHE HA 1 23 LYS QG . . 4.130 3.236 2.926 3.575 . 0 0 "[ . 1 . 2]" 3
1614 1 19 PHE HB3 1 25 GLU QG . . 5.310 4.110 3.847 4.481 . 0 0 "[ . 1 . 2]" 3
1615 1 19 PHE QD 1 23 LYS QB . . 4.800 3.557 3.424 3.684 . 0 0 "[ . 1 . 2]" 3
1616 1 19 PHE QD 1 25 GLU QG . . 5.050 2.977 2.673 3.244 . 0 0 "[ . 1 . 2]" 3
1617 1 19 PHE QE 1 23 LYS QG . . 5.120 3.886 3.666 4.126 . 0 0 "[ . 1 . 2]" 3
1618 1 19 PHE HZ 1 25 GLU QG . . 4.600 3.230 2.977 3.535 . 0 0 "[ . 1 . 2]" 3
1619 1 20 THR H 1 23 LYS QB . . 3.790 2.055 1.886 2.336 . 0 0 "[ . 1 . 2]" 3
1620 1 20 THR HB 1 21 LEU QB . . 4.680 3.763 3.465 4.000 . 0 0 "[ . 1 . 2]" 3
1621 1 20 THR HB 1 21 LEU QD . . 4.410 3.020 2.486 3.932 . 0 0 "[ . 1 . 2]" 3
1622 1 20 THR MG 1 23 LYS QB . . 3.970 3.633 3.569 3.738 . 0 0 "[ . 1 . 2]" 3
1623 1 21 LEU H 1 21 LEU QB . . 3.650 2.534 2.305 2.731 . 0 0 "[ . 1 . 2]" 3
1624 1 21 LEU HA 1 21 LEU QD . . 3.100 2.671 1.935 3.083 . 0 0 "[ . 1 . 2]" 3
1625 1 21 LEU QB 1 21 LEU HG . . 2.600 2.395 2.140 2.511 . 0 0 "[ . 1 . 2]" 3
1626 1 21 LEU QB 1 21 LEU QD . . 2.630 1.877 1.784 2.006 . 0 0 "[ . 1 . 2]" 3
1627 1 21 LEU QB 1 22 PHE H . . 4.070 2.411 2.259 2.604 . 0 0 "[ . 1 . 2]" 3
1628 1 21 LEU QB 1 22 PHE QD . . 4.110 3.231 2.489 3.583 . 0 0 "[ . 1 . 2]" 3
1629 1 21 LEU QB 1 22 PHE QE . . 4.450 3.470 3.336 3.777 . 0 0 "[ . 1 . 2]" 3
1630 1 21 LEU QD 1 22 PHE H . . 4.310 3.593 3.110 3.925 . 0 0 "[ . 1 . 2]" 3
1631 1 21 LEU QD 1 22 PHE HA . . 5.440 5.072 4.831 5.180 . 0 0 "[ . 1 . 2]" 3
1632 1 21 LEU QD 1 22 PHE QE . . 4.380 3.535 2.787 4.138 . 0 0 "[ . 1 . 2]" 3
1633 1 21 LEU QD 1 22 PHE HZ . . 4.650 4.375 3.951 4.644 . 0 0 "[ . 1 . 2]" 3
1634 1 22 PHE H 1 22 PHE QB . . 3.540 2.675 2.610 2.946 . 0 0 "[ . 1 . 2]" 3
1635 1 22 PHE QB 1 23 LYS H . . 3.940 2.559 2.289 3.310 . 0 0 "[ . 1 . 2]" 3
1636 1 22 PHE QB 1 23 LYS QB . . 4.850 3.386 3.245 3.920 . 0 0 "[ . 1 . 2]" 3
1637 1 23 LYS HA 1 23 LYS QD . . 3.250 2.077 1.982 2.191 . 0 0 "[ . 1 . 2]" 3
1638 1 23 LYS QB 1 23 LYS QE . . 3.770 2.954 2.272 3.576 . 0 0 "[ . 1 . 2]" 3
1639 1 23 LYS QE 1 23 LYS QG . . 3.400 2.150 2.065 2.240 . 0 0 "[ . 1 . 2]" 3
1640 1 23 LYS QG 1 24 LYS H . . 5.190 3.786 3.398 4.197 . 0 0 "[ . 1 . 2]" 3
1641 1 23 LYS QG 1 36 CYS HB2 . . 4.210 2.357 1.987 2.770 . 0 0 "[ . 1 . 2]" 3
1642 1 23 LYS QG 1 36 CYS HB3 . . 4.930 3.242 2.938 3.587 . 0 0 "[ . 1 . 2]" 3
1643 1 23 LYS QD 1 24 LYS H . . 4.700 3.864 3.589 4.207 . 0 0 "[ . 1 . 2]" 3
1644 1 23 LYS QD 1 36 CYS HB3 . . 4.630 4.240 3.745 4.643 0.013 17 0 "[ . 1 . 2]" 3
1645 1 25 GLU H 1 25 GLU QG . . 4.180 4.016 3.944 4.149 . 0 0 "[ . 1 . 2]" 3
1646 1 25 GLU QG 1 26 TYR HA . . 4.410 3.753 3.519 4.347 . 0 0 "[ . 1 . 2]" 3
1647 1 28 CYS H 1 32 GLY QA . . 5.130 3.531 3.362 3.709 . 0 0 "[ . 1 . 2]" 3
1648 1 28 CYS HA 1 29 LYS QD . . 4.790 5.019 4.919 5.041 0.251 11 0 "[ . 1 . 2]" 3
1649 1 29 LYS H 1 29 LYS QD . . 4.090 4.082 4.016 4.115 0.025 17 0 "[ . 1 . 2]" 3
1650 1 29 LYS HB2 1 54 GLN QG . . 4.950 3.775 3.703 3.876 . 0 0 "[ . 1 . 2]" 3
1651 1 29 LYS HB3 1 54 GLN QG . . 5.340 3.561 3.491 3.666 . 0 0 "[ . 1 . 2]" 3
1652 1 29 LYS HG2 1 54 GLN QG . . 4.260 4.041 3.982 4.064 . 0 0 "[ . 1 . 2]" 3
1653 1 29 LYS HG3 1 54 GLN QG . . 3.560 2.384 2.317 2.405 . 0 0 "[ . 1 . 2]" 3
1654 1 29 LYS QD 1 46 VAL MG1 . . 4.580 3.949 3.879 4.011 . 0 0 "[ . 1 . 2]" 3
1655 1 29 LYS QD 1 46 VAL MG2 . . 4.630 4.287 4.205 4.416 . 0 0 "[ . 1 . 2]" 3
1656 1 29 LYS QD 1 49 ALA MB . . 3.560 2.847 2.637 2.948 . 0 0 "[ . 1 . 2]" 3
1657 1 29 LYS QD 1 54 GLN HB3 . . 4.300 4.190 4.073 4.319 0.019 20 0 "[ . 1 . 2]" 3
1658 1 29 LYS QD 1 54 GLN QG . . 4.050 3.541 3.352 3.699 . 0 0 "[ . 1 . 2]" 3
1659 1 29 LYS QD 1 56 VAL MG1 . . 5.340 5.102 5.035 5.177 . 0 0 "[ . 1 . 2]" 3
1660 1 29 LYS QE 1 54 GLN QG . . 4.000 3.337 3.117 3.601 . 0 0 "[ . 1 . 2]" 3
1661 1 30 ASN HA 1 48 ARG QG . . 4.260 2.707 2.301 3.007 . 0 0 "[ . 1 . 2]" 3
1662 1 30 ASN HA 1 48 ARG QD . . 3.620 2.901 2.018 3.340 . 0 0 "[ . 1 . 2]" 3
1663 1 31 CYS H 1 32 GLY QA . . 4.610 4.395 4.365 4.417 . 0 0 "[ . 1 . 2]" 3
1664 1 32 GLY H 1 32 GLY QA . . 2.580 2.224 2.217 2.232 . 0 0 "[ . 1 . 2]" 3
1665 1 38 GLY H 1 38 GLY QA . . 2.580 2.200 2.198 2.203 . 0 0 "[ . 1 . 2]" 3
1666 1 38 GLY QA 1 39 CYS H . . 3.080 2.653 2.618 2.743 . 0 0 "[ . 1 . 2]" 3
1667 1 42 PHE QD 1 58 LYS QB . . 4.740 3.532 3.372 3.715 . 0 0 "[ . 1 . 2]" 3
1668 1 42 PHE QE 1 58 LYS QB . . 3.610 2.318 2.112 2.595 . 0 0 "[ . 1 . 2]" 3
1669 1 42 PHE QE 1 58 LYS QG . . 4.470 4.167 4.053 4.283 . 0 0 "[ . 1 . 2]" 3
1670 1 42 PHE QE 1 58 LYS QD . . 3.910 2.802 2.703 2.981 . 0 0 "[ . 1 . 2]" 3
1671 1 42 PHE HZ 1 58 LYS QB . . 4.040 3.156 3.023 3.241 . 0 0 "[ . 1 . 2]" 3
1672 1 42 PHE HZ 1 58 LYS QG . . 4.760 4.275 4.128 4.362 . 0 0 "[ . 1 . 2]" 3
1673 1 42 PHE HZ 1 58 LYS QD . . 4.110 2.393 2.122 2.909 . 0 0 "[ . 1 . 2]" 3
1674 1 43 SER QB 1 53 GLN HB2 . . 5.340 4.680 4.573 4.782 . 0 0 "[ . 1 . 2]" 3
1675 1 43 SER QB 1 55 LYS HG2 . . 4.880 4.276 4.142 4.431 . 0 0 "[ . 1 . 2]" 3
1676 1 43 SER QB 1 55 LYS QE . . 5.340 4.653 4.529 4.714 . 0 0 "[ . 1 . 2]" 3
1677 1 43 SER QB 1 56 VAL H . . 5.260 4.078 3.976 4.156 . 0 0 "[ . 1 . 2]" 3
1678 1 43 SER QB 1 56 VAL MG1 . . 5.010 4.688 4.586 4.814 . 0 0 "[ . 1 . 2]" 3
1679 1 45 LEU QD 1 51 ASN QB . . 4.140 2.740 2.338 3.381 . 0 0 "[ . 1 . 2]" 3
1680 1 45 LEU QD 1 51 ASN QD . . 4.590 2.793 2.156 4.022 . 0 0 "[ . 1 . 2]" 3
1681 1 45 LEU QD 1 53 GLN QE . . 4.430 3.857 3.322 4.426 . 0 0 "[ . 1 . 2]" 3
1682 1 46 VAL H 1 54 GLN QG . . 4.270 3.740 3.623 3.864 . 0 0 "[ . 1 . 2]" 3
1683 1 46 VAL HA 1 47 PRO QG . . 4.310 3.791 3.785 3.804 . 0 0 "[ . 1 . 2]" 3
1684 1 46 VAL HA 1 47 PRO QD . . 2.480 1.888 1.881 1.903 . 0 0 "[ . 1 . 2]" 3
1685 1 46 VAL MG1 1 47 PRO QD . . 3.240 1.966 1.928 2.013 . 0 0 "[ . 1 . 2]" 3
1686 1 46 VAL MG1 1 48 ARG QG . . 3.050 2.348 1.989 2.514 . 0 0 "[ . 1 . 2]" 3
1687 1 46 VAL MG1 1 48 ARG QD . . 4.190 3.336 2.951 3.584 . 0 0 "[ . 1 . 2]" 3
1688 1 46 VAL MG1 1 54 GLN QG . . 4.900 4.193 4.072 4.320 . 0 0 "[ . 1 . 2]" 3
1689 1 46 VAL MG2 1 47 PRO QD . . 3.740 3.536 3.501 3.589 . 0 0 "[ . 1 . 2]" 3
1690 1 47 PRO HA 1 51 ASN QB . . 4.260 4.052 3.319 4.268 0.008 11 0 "[ . 1 . 2]" 3
1691 1 47 PRO QG 1 48 ARG H . . 4.410 3.000 2.659 3.358 . 0 0 "[ . 1 . 2]" 3
1692 1 47 PRO QG 1 64 LEU QD . . 3.610 3.063 2.913 3.206 . 0 0 "[ . 1 . 2]" 3
1693 1 47 PRO QD 1 48 ARG H . . 4.450 2.808 2.649 3.006 . 0 0 "[ . 1 . 2]" 3
1694 1 47 PRO QD 1 64 LEU QD . . 3.970 2.183 1.997 2.310 . 0 0 "[ . 1 . 2]" 3
1695 1 48 ARG H 1 48 ARG QG . . 3.950 2.423 2.078 2.669 . 0 0 "[ . 1 . 2]" 3
1696 1 48 ARG HA 1 48 ARG QG . . 3.440 2.440 2.367 2.598 . 0 0 "[ . 1 . 2]" 3
1697 1 48 ARG HA 1 48 ARG QD . . 4.290 4.075 3.755 4.178 . 0 0 "[ . 1 . 2]" 3
1698 1 48 ARG QB 1 48 ARG QD . . 2.970 2.246 2.064 2.388 . 0 0 "[ . 1 . 2]" 3
1699 1 48 ARG QB 1 49 ALA H . . 4.170 2.673 2.523 2.830 . 0 0 "[ . 1 . 2]" 3
1700 1 48 ARG QG 1 49 ALA H . . 4.040 3.934 3.652 4.010 . 0 0 "[ . 1 . 2]" 3
1701 1 49 ALA H 1 50 GLY QA . . 5.060 4.411 4.314 4.535 . 0 0 "[ . 1 . 2]" 3
1702 1 49 ALA MB 1 50 GLY QA . . 4.760 3.900 3.696 4.147 . 0 0 "[ . 1 . 2]" 3
1703 1 49 ALA MB 1 54 GLN QG . . 3.360 2.428 2.017 2.629 . 0 0 "[ . 1 . 2]" 3
1704 1 50 GLY QA 1 51 ASN QB . . 4.480 3.657 3.551 4.011 . 0 0 "[ . 1 . 2]" 3
1705 1 50 GLY QA 1 52 THR MG . . 3.640 3.306 3.080 3.447 . 0 0 "[ . 1 . 2]" 3
1706 1 51 ASN QB 1 52 THR MG . . 4.300 4.076 3.791 4.330 0.030 20 0 "[ . 1 . 2]" 3
1707 1 53 GLN HA 1 54 GLN QG . . 4.520 4.114 3.811 4.225 . 0 0 "[ . 1 . 2]" 3
1708 1 54 GLN H 1 54 GLN QG . . 3.560 2.513 2.413 2.613 . 0 0 "[ . 1 . 2]" 3
1709 1 57 CYS HA 1 58 LYS QB . . 4.780 4.282 4.273 4.302 . 0 0 "[ . 1 . 2]" 3
1710 1 57 CYS HB2 1 58 LYS QB . . 5.340 3.837 3.813 3.851 . 0 0 "[ . 1 . 2]" 3
1711 1 58 LYS H 1 58 LYS QB . . 2.960 2.284 2.273 2.288 . 0 0 "[ . 1 . 2]" 3
1712 1 58 LYS H 1 58 LYS QG . . 4.120 4.046 4.032 4.052 . 0 0 "[ . 1 . 2]" 3
1713 1 58 LYS H 1 58 LYS QD . . 5.200 4.213 4.158 4.288 . 0 0 "[ . 1 . 2]" 3
1714 1 58 LYS HA 1 58 LYS QG . . 3.360 2.905 2.877 2.919 . 0 0 "[ . 1 . 2]" 3
1715 1 58 LYS HA 1 58 LYS QD . . 3.650 2.406 2.270 2.520 . 0 0 "[ . 1 . 2]" 3
1716 1 58 LYS QB 1 59 GLN H . . 3.130 2.134 2.118 2.142 . 0 0 "[ . 1 . 2]" 3
1717 1 58 LYS QB 1 59 GLN HA . . 4.800 4.153 4.144 4.158 . 0 0 "[ . 1 . 2]" 3
1718 1 58 LYS QG 1 59 GLN H . . 3.770 2.853 2.840 2.862 . 0 0 "[ . 1 . 2]" 3
1719 1 58 LYS QG 1 59 GLN HA . . 4.420 3.134 3.121 3.154 . 0 0 "[ . 1 . 2]" 3
1720 1 58 LYS QG 1 59 GLN HB3 . . 5.340 5.224 5.212 5.235 . 0 0 "[ . 1 . 2]" 3
1721 1 58 LYS QG 1 59 GLN QG . . 5.150 4.470 4.448 4.483 . 0 0 "[ . 1 . 2]" 3
1722 1 58 LYS QD 1 59 GLN H . . 4.880 4.428 4.406 4.475 . 0 0 "[ . 1 . 2]" 3
1723 1 62 THR HA 1 66 ARG QG . . 5.340 4.936 3.512 5.444 0.104 18 0 "[ . 1 . 2]" 3
1724 1 63 ILE HA 1 66 ARG QG . . 4.320 2.430 1.930 3.873 . 0 0 "[ . 1 . 2]" 3
1725 1 66 ARG H 1 66 ARG QG . . 3.450 2.614 2.397 2.907 . 0 0 "[ . 1 . 2]" 3
1726 1 66 ARG HA 1 66 ARG QG . . 3.510 3.031 2.240 3.312 . 0 0 "[ . 1 . 2]" 3
1727 1 74 LYS QB 1 75 TRP H . . 4.280 3.245 1.949 3.965 . 0 0 "[ . 1 . 2]" 3
1728 1 75 TRP H 1 75 TRP QB . . 3.500 2.543 2.211 2.957 . 0 0 "[ . 1 . 2]" 3
1729 1 75 TRP QB 1 76 SER H . . 4.210 3.601 2.766 4.051 . 0 0 "[ . 1 . 2]" 3
1730 1 75 TRP HH2 1 77 PRO QB . . 4.990 3.104 2.408 3.765 . 0 0 "[ . 1 . 2]" 3
1731 1 76 SER H 1 76 SER QB . . 3.620 2.700 2.234 3.044 . 0 0 "[ . 1 . 2]" 3
1732 1 76 SER QB 1 77 PRO QD . . 3.350 2.494 1.956 3.301 . 0 0 "[ . 1 . 2]" 3
1733 1 77 PRO QB 1 78 PRO QD . . 4.010 2.294 1.918 2.827 . 0 0 "[ . 1 . 2]" 3
1734 1 77 PRO QB 1 81 TYR QD . . 4.810 3.278 1.938 4.459 . 0 0 "[ . 1 . 2]" 3
1735 1 78 PRO QB 1 79 GLN H . . 3.990 2.486 1.885 3.861 . 0 0 "[ . 1 . 2]" 3
1736 1 78 PRO QD 1 81 TYR QB . . 4.290 3.579 2.129 4.284 . 0 0 "[ . 1 . 2]" 3
1737 1 84 GLY QA 1 85 PRO QD . . 2.930 1.951 1.838 2.035 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 3:56:56 PM GMT (wattos1)