Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
503403 | 2ect RC | 11162 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ect
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 26
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 53.577
_Distance_constraint_stats_list.Viol_max 0.051
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0128
_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 18 CYS 1.336 0.051 6 0 "[ . 1 . 2]"
1 21 CYS 0.995 0.022 7 0 "[ . 1 . 2]"
1 36 CYS 0.088 0.012 7 0 "[ . 1 . 2]"
1 38 HIS 0.068 0.012 7 0 "[ . 1 . 2]"
1 41 HIS 0.725 0.024 6 0 "[ . 1 . 2]"
1 44 CYS 0.345 0.022 7 0 "[ . 1 . 2]"
1 55 CYS 0.041 0.006 7 0 "[ . 1 . 2]"
1 58 CYS 0.092 0.018 7 0 "[ . 1 . 2]"
2 1 ZN 1.574 0.051 6 0 "[ . 1 . 2]"
3 1 ZN 0.094 0.018 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 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.415 2.410 2.430 0.040 6 0 "[ . 1 . 2]" 1
2 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.223 3.199 3.229 0.051 6 0 "[ . 1 . 2]" 1
3 1 21 CYS SG 2 1 ZN ZN . 2.190 2.390 2.256 2.228 2.280 . 0 0 "[ . 1 . 2]" 1
4 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.517 3.514 3.521 0.011 12 0 "[ . 1 . 2]" 1
5 1 41 HIS ND1 2 1 ZN ZN . . 2.100 2.118 2.115 2.124 0.024 6 0 "[ . 1 . 2]" 1
6 1 44 CYS SG 2 1 ZN ZN . 2.190 2.390 2.208 2.178 2.239 0.012 6 0 "[ . 1 . 2]" 1
7 1 44 CYS CB 2 1 ZN ZN . 3.250 3.510 3.278 3.246 3.312 0.004 19 0 "[ . 1 . 2]" 1
8 1 18 CYS SG 1 21 CYS SG . 3.560 3.960 3.549 3.539 3.556 0.021 19 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 41 HIS ND1 . 3.320 3.720 3.323 3.311 3.351 0.009 5 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 44 CYS SG . 3.560 3.960 3.918 3.809 3.952 . 0 0 "[ . 1 . 2]" 1
11 1 21 CYS SG 1 41 HIS ND1 . 3.320 3.720 3.305 3.300 3.310 0.020 18 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 44 CYS SG . 3.560 3.960 3.976 3.972 3.982 0.022 7 0 "[ . 1 . 2]" 1
13 1 41 HIS ND1 1 44 CYS SG . 3.320 3.720 3.708 3.671 3.723 0.003 20 0 "[ . 1 . 2]" 1
14 1 36 CYS SG 3 1 ZN ZN . 2.190 2.390 2.353 2.212 2.394 0.004 7 0 "[ . 1 . 2]" 1
15 1 36 CYS CB 3 1 ZN ZN . 3.250 3.510 3.354 3.261 3.489 . 0 0 "[ . 1 . 2]" 1
16 1 38 HIS ND1 3 1 ZN ZN . . 2.100 1.920 1.893 1.997 0.007 14 0 "[ . 1 . 2]" 1
17 1 55 CYS SG 3 1 ZN ZN . 2.190 2.390 2.363 2.244 2.392 0.002 12 0 "[ . 1 . 2]" 1
18 1 55 CYS CB 3 1 ZN ZN . 3.250 3.510 3.267 3.244 3.304 0.006 14 0 "[ . 1 . 2]" 1
19 1 58 CYS SG 3 1 ZN ZN . 2.190 2.390 2.257 2.176 2.368 0.014 7 0 "[ . 1 . 2]" 1
20 1 58 CYS CB 3 1 ZN ZN . 3.250 3.510 3.447 3.252 3.528 0.018 7 0 "[ . 1 . 2]" 1
21 1 36 CYS SG 1 38 HIS ND1 . 3.320 3.720 3.321 3.308 3.345 0.012 7 0 "[ . 1 . 2]" 1
22 1 36 CYS SG 1 55 CYS SG . 3.560 3.960 3.711 3.554 3.816 0.006 7 0 "[ . 1 . 2]" 1
23 1 36 CYS SG 1 58 CYS SG . 3.560 3.960 3.580 3.551 3.671 0.009 14 0 "[ . 1 . 2]" 1
24 1 38 HIS ND1 1 55 CYS SG . 3.320 3.720 3.694 3.602 3.724 0.004 13 0 "[ . 1 . 2]" 1
25 1 38 HIS ND1 1 58 CYS SG . 3.320 3.720 3.627 3.494 3.722 0.002 12 0 "[ . 1 . 2]" 1
26 1 55 CYS SG 1 58 CYS SG . 3.560 3.960 3.713 3.574 3.890 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1636
_Distance_constraint_stats_list.Viol_count 1667
_Distance_constraint_stats_list.Viol_total 824.941
_Distance_constraint_stats_list.Viol_max 0.176
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0247
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.016 0.008 19 0 "[ . 1 . 2]"
1 9 GLU 0.205 0.100 4 0 "[ . 1 . 2]"
1 10 GLU 0.194 0.051 9 0 "[ . 1 . 2]"
1 11 HIS 0.243 0.038 3 0 "[ . 1 . 2]"
1 12 VAL 0.220 0.100 4 0 "[ . 1 . 2]"
1 13 GLY 0.019 0.017 7 0 "[ . 1 . 2]"
1 14 SER 0.075 0.038 11 0 "[ . 1 . 2]"
1 15 GLY 0.051 0.014 7 0 "[ . 1 . 2]"
1 16 LEU 1.345 0.055 8 0 "[ . 1 . 2]"
1 17 GLU 1.588 0.055 8 0 "[ . 1 . 2]"
1 18 CYS 0.584 0.043 6 0 "[ . 1 . 2]"
1 19 PRO 3.630 0.085 12 0 "[ . 1 . 2]"
1 20 VAL 3.460 0.097 11 0 "[ . 1 . 2]"
1 21 CYS 4.118 0.097 11 0 "[ . 1 . 2]"
1 22 LYS 0.667 0.045 6 0 "[ . 1 . 2]"
1 23 GLU 3.933 0.067 15 0 "[ . 1 . 2]"
1 24 ASP 1.837 0.056 8 0 "[ . 1 . 2]"
1 25 TYR 3.718 0.101 16 0 "[ . 1 . 2]"
1 26 ALA 0.237 0.020 20 0 "[ . 1 . 2]"
1 27 LEU 0.185 0.030 20 0 "[ . 1 . 2]"
1 28 GLY 0.044 0.017 20 0 "[ . 1 . 2]"
1 29 GLU 0.564 0.035 20 0 "[ . 1 . 2]"
1 30 SER 0.489 0.036 13 0 "[ . 1 . 2]"
1 31 VAL 1.544 0.053 19 0 "[ . 1 . 2]"
1 32 ARG 2.751 0.066 19 0 "[ . 1 . 2]"
1 33 GLN 2.656 0.062 7 0 "[ . 1 . 2]"
1 34 LEU 2.368 0.082 12 0 "[ . 1 . 2]"
1 35 PRO 2.014 0.086 14 0 "[ . 1 . 2]"
1 36 CYS 1.771 0.086 14 0 "[ . 1 . 2]"
1 37 ASN 3.234 0.104 18 0 "[ . 1 . 2]"
1 38 HIS 2.193 0.098 10 0 "[ . 1 . 2]"
1 39 LEU 6.042 0.104 18 0 "[ . 1 . 2]"
1 40 PHE 4.307 0.058 11 0 "[ . 1 . 2]"
1 41 HIS 2.075 0.071 10 0 "[ . 1 . 2]"
1 42 ASP 1.306 0.058 11 0 "[ . 1 . 2]"
1 43 SER 0.775 0.044 6 0 "[ . 1 . 2]"
1 44 CYS 0.100 0.021 11 0 "[ . 1 . 2]"
1 45 ILE 4.894 0.088 12 0 "[ . 1 . 2]"
1 46 VAL 0.407 0.034 13 0 "[ . 1 . 2]"
1 47 PRO 0.155 0.024 15 0 "[ . 1 . 2]"
1 48 TRP 1.349 0.077 8 0 "[ . 1 . 2]"
1 49 LEU 0.122 0.026 18 0 "[ . 1 . 2]"
1 50 GLU 1.552 0.088 12 0 "[ . 1 . 2]"
1 51 GLN 0.149 0.034 18 0 "[ . 1 . 2]"
1 52 HIS 0.416 0.047 18 0 "[ . 1 . 2]"
1 53 ASP 0.007 0.004 11 0 "[ . 1 . 2]"
1 54 SER 0.062 0.013 19 0 "[ . 1 . 2]"
1 55 CYS 0.881 0.062 19 0 "[ . 1 . 2]"
1 56 PRO 1.667 0.105 17 0 "[ . 1 . 2]"
1 57 VAL 2.985 0.176 14 0 "[ . 1 . 2]"
1 58 CYS 0.304 0.067 17 0 "[ . 1 . 2]"
1 59 ARG 1.525 0.176 14 0 "[ . 1 . 2]"
1 60 LYS 1.134 0.086 14 0 "[ . 1 . 2]"
1 61 SER 0.146 0.026 14 0 "[ . 1 . 2]"
1 62 LEU 0.249 0.026 14 0 "[ . 1 . 2]"
1 63 THR 0.093 0.026 14 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.027 0.027 6 0 "[ . 1 . 2]"
1 71 PRO 0.027 0.027 6 0 "[ . 1 . 2]"
1 72 PRO 0.035 0.035 1 0 "[ . 1 . 2]"
1 73 GLY 0.036 0.035 1 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.001 0.001 3 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 44 CYS H 1 46 VAL H . . 3.920 3.609 3.567 3.634 . 0 0 "[ . 1 . 2]" 2
2 1 46 VAL H 1 48 TRP H . . 4.530 3.906 3.886 3.941 . 0 0 "[ . 1 . 2]" 2
3 1 42 ASP HA 1 46 VAL H . . 3.820 3.469 3.415 3.508 . 0 0 "[ . 1 . 2]" 2
4 1 46 VAL H 1 47 PRO HD3 . . 3.430 3.296 3.277 3.315 . 0 0 "[ . 1 . 2]" 2
5 1 46 VAL H 1 47 PRO HD2 . . 3.220 2.304 2.282 2.324 . 0 0 "[ . 1 . 2]" 2
6 1 46 VAL H 1 46 VAL HB . . 2.860 2.304 2.290 2.323 . 0 0 "[ . 1 . 2]" 2
7 1 46 VAL H 1 49 LEU HG . . 4.700 4.569 4.554 4.591 . 0 0 "[ . 1 . 2]" 2
8 1 45 ILE HB 1 46 VAL H . . 3.980 3.530 3.518 3.548 . 0 0 "[ . 1 . 2]" 2
9 1 45 ILE MG 1 46 VAL H . . 2.670 1.823 1.806 1.842 . 0 0 "[ . 1 . 2]" 2
10 1 46 VAL H 1 46 VAL MG1 . . 3.770 3.687 3.678 3.699 . 0 0 "[ . 1 . 2]" 2
11 1 45 ILE MD 1 46 VAL H . . 4.670 4.602 4.580 4.639 . 0 0 "[ . 1 . 2]" 2
12 1 62 LEU H 1 62 LEU MD2 . . 4.270 3.355 3.115 3.514 . 0 0 "[ . 1 . 2]" 2
13 1 54 SER HA 1 62 LEU H . . 4.130 3.384 3.255 3.704 . 0 0 "[ . 1 . 2]" 2
14 1 61 SER HA 1 62 LEU H . . 2.960 2.148 2.139 2.173 . 0 0 "[ . 1 . 2]" 2
15 1 62 LEU H 1 62 LEU HB2 . . 3.310 2.622 2.579 2.656 . 0 0 "[ . 1 . 2]" 2
16 1 62 LEU H 1 62 LEU HG . . 3.460 2.245 2.094 2.498 . 0 0 "[ . 1 . 2]" 2
17 1 38 HIS HD2 1 39 LEU H . . 4.060 3.996 3.926 4.040 . 0 0 "[ . 1 . 2]" 2
18 1 39 LEU H 1 40 PHE QE . . 4.630 3.908 3.878 3.968 . 0 0 "[ . 1 . 2]" 2
19 1 38 HIS HA 1 39 LEU H . . 2.620 2.148 2.146 2.151 . 0 0 "[ . 1 . 2]" 2
20 1 39 LEU H 1 40 PHE H . . 4.610 4.566 4.565 4.569 . 0 0 "[ . 1 . 2]" 2
21 1 38 HIS HB2 1 39 LEU H . . 4.480 4.318 4.305 4.332 . 0 0 "[ . 1 . 2]" 2
22 1 39 LEU H 1 39 LEU QB . . 2.820 2.256 2.244 2.268 . 0 0 "[ . 1 . 2]" 2
23 1 39 LEU H 1 39 LEU MD2 . . 4.310 4.275 4.264 4.282 . 0 0 "[ . 1 . 2]" 2
24 1 39 LEU H 1 39 LEU MD1 . . 4.060 3.564 3.521 3.596 . 0 0 "[ . 1 . 2]" 2
25 1 31 VAL H 1 32 ARG H . . 4.610 4.552 4.530 4.566 . 0 0 "[ . 1 . 2]" 2
26 1 32 ARG H 1 42 ASP HA . . 4.200 4.185 4.162 4.212 0.012 15 0 "[ . 1 . 2]" 2
27 1 31 VAL HB 1 32 ARG H . . 3.100 2.810 2.774 2.857 . 0 0 "[ . 1 . 2]" 2
28 1 32 ARG H 1 32 ARG HG2 . . 4.060 4.042 4.018 4.054 . 0 0 "[ . 1 . 2]" 2
29 1 32 ARG H 1 45 ILE MG . . 4.360 4.253 4.198 4.290 . 0 0 "[ . 1 . 2]" 2
30 1 31 VAL MG2 1 32 ARG H . . 4.250 4.053 4.034 4.081 . 0 0 "[ . 1 . 2]" 2
31 1 31 VAL MG1 1 32 ARG H . . 3.290 3.207 3.187 3.229 . 0 0 "[ . 1 . 2]" 2
32 1 32 ARG H 1 40 PHE QD . . 5.060 4.989 4.964 5.037 . 0 0 "[ . 1 . 2]" 2
33 1 32 ARG H 1 40 PHE HB2 . . 4.620 4.333 4.312 4.352 . 0 0 "[ . 1 . 2]" 2
34 1 32 ARG H 1 42 ASP HB2 . . 4.910 4.245 4.217 4.269 . 0 0 "[ . 1 . 2]" 2
35 1 43 SER H 1 45 ILE MG . . 4.460 4.481 4.438 4.504 0.044 6 0 "[ . 1 . 2]" 2
36 1 42 ASP H 1 43 SER H . . 3.360 2.693 2.686 2.705 . 0 0 "[ . 1 . 2]" 2
37 1 43 SER H 1 44 CYS H . . 3.250 2.047 2.001 2.068 . 0 0 "[ . 1 . 2]" 2
38 1 41 HIS HA 1 43 SER H . . 4.000 3.597 3.584 3.606 . 0 0 "[ . 1 . 2]" 2
39 1 43 SER H 1 43 SER HB3 . . 3.260 2.491 2.442 2.558 . 0 0 "[ . 1 . 2]" 2
40 1 41 HIS HB2 1 43 SER H . . 3.610 3.353 3.316 3.387 . 0 0 "[ . 1 . 2]" 2
41 1 41 HIS HB3 1 43 SER H . . 3.350 2.284 2.264 2.294 . 0 0 "[ . 1 . 2]" 2
42 1 43 SER H 1 44 CYS HB2 . . 4.430 4.081 4.040 4.118 . 0 0 "[ . 1 . 2]" 2
43 1 42 ASP HB3 1 43 SER H . . 3.550 3.392 3.357 3.453 . 0 0 "[ . 1 . 2]" 2
44 1 42 ASP HB2 1 43 SER H . . 4.320 4.317 4.297 4.338 0.018 19 0 "[ . 1 . 2]" 2
45 1 53 ASP H 1 54 SER H . . 3.860 2.696 2.496 2.866 . 0 0 "[ . 1 . 2]" 2
46 1 48 TRP HD1 1 54 SER H . . 4.010 3.432 3.256 3.593 . 0 0 "[ . 1 . 2]" 2
47 1 49 LEU HA 1 54 SER H . . 3.590 2.582 2.472 2.743 . 0 0 "[ . 1 . 2]" 2
48 1 54 SER H 1 54 SER HB2 . . 4.110 3.022 2.886 3.175 . 0 0 "[ . 1 . 2]" 2
49 1 52 HIS HB3 1 54 SER H . . 4.170 3.801 3.540 4.061 . 0 0 "[ . 1 . 2]" 2
50 1 54 SER H 1 62 LEU HG . . 4.930 4.801 4.679 4.935 0.005 18 0 "[ . 1 . 2]" 2
51 1 49 LEU MD2 1 54 SER H . . 3.330 2.544 2.285 2.773 . 0 0 "[ . 1 . 2]" 2
52 1 31 VAL H 1 42 ASP H . . 5.340 4.608 4.583 4.669 . 0 0 "[ . 1 . 2]" 2
53 1 30 SER H 1 31 VAL H . . 4.520 4.333 4.284 4.404 . 0 0 "[ . 1 . 2]" 2
54 1 30 SER HA 1 31 VAL H . . 2.490 2.166 2.146 2.182 . 0 0 "[ . 1 . 2]" 2
55 1 31 VAL H 1 42 ASP HB2 . . 4.850 4.346 4.259 4.468 . 0 0 "[ . 1 . 2]" 2
56 1 31 VAL H 1 31 VAL MG1 . . 3.490 3.167 3.114 3.229 . 0 0 "[ . 1 . 2]" 2
57 1 72 PRO HA 1 73 GLY H . . 3.450 2.668 2.156 3.485 0.035 1 0 "[ . 1 . 2]" 2
58 1 8 THR HA 1 9 GLU H . . 3.300 2.366 2.143 2.900 . 0 0 "[ . 1 . 2]" 2
59 1 9 GLU H 1 9 GLU QG . . 4.240 3.338 2.518 4.066 . 0 0 "[ . 1 . 2]" 2
60 1 9 GLU H 1 9 GLU HB2 . . 4.130 2.402 2.133 2.779 . 0 0 "[ . 1 . 2]" 2
61 1 9 GLU H 1 9 GLU HB3 . . 4.130 3.431 2.577 3.829 . 0 0 "[ . 1 . 2]" 2
62 1 12 VAL H 1 12 VAL HB . . 3.320 2.767 2.552 3.093 . 0 0 "[ . 1 . 2]" 2
63 1 26 ALA HA 1 27 LEU H . . 2.680 2.168 2.155 2.235 . 0 0 "[ . 1 . 2]" 2
64 1 27 LEU H 1 27 LEU HG . . 2.620 2.285 1.917 2.601 . 0 0 "[ . 1 . 2]" 2
65 1 26 ALA MB 1 27 LEU H . . 3.150 3.057 2.888 3.120 . 0 0 "[ . 1 . 2]" 2
66 1 27 LEU H 1 27 LEU MD2 . . 4.110 3.554 3.044 3.837 . 0 0 "[ . 1 . 2]" 2
67 1 27 LEU H 1 28 GLY H . . 4.020 3.039 2.892 3.090 . 0 0 "[ . 1 . 2]" 2
68 1 10 GLU H 1 12 VAL HB . . 5.190 4.562 3.732 5.164 . 0 0 "[ . 1 . 2]" 2
69 1 74 LEU H 1 74 LEU HB2 . . 4.140 2.857 2.121 3.954 . 0 0 "[ . 1 . 2]" 2
70 1 74 LEU H 1 74 LEU HB3 . . 4.140 3.118 2.341 3.741 . 0 0 "[ . 1 . 2]" 2
71 1 38 HIS H 1 38 HIS HD2 . . 4.730 4.676 4.621 4.722 . 0 0 "[ . 1 . 2]" 2
72 1 38 HIS H 1 40 PHE QE . . 4.390 3.784 3.762 3.804 . 0 0 "[ . 1 . 2]" 2
73 1 16 LEU H 1 25 TYR QE . . 5.500 5.204 5.080 5.374 . 0 0 "[ . 1 . 2]" 2
74 1 15 GLY H 1 16 LEU H . . 3.370 3.098 2.974 3.186 . 0 0 "[ . 1 . 2]" 2
75 1 16 LEU H 1 25 TYR QD . . 4.980 4.831 4.747 5.005 0.025 11 0 "[ . 1 . 2]" 2
76 1 15 GLY HA2 1 16 LEU H . . 3.150 2.713 2.505 2.826 . 0 0 "[ . 1 . 2]" 2
77 1 16 LEU H 1 16 LEU HB2 . . 3.710 3.623 3.595 3.683 . 0 0 "[ . 1 . 2]" 2
78 1 16 LEU H 1 16 LEU MD1 . . 3.500 1.942 1.869 2.178 . 0 0 "[ . 1 . 2]" 2
79 1 37 ASN HA 1 38 HIS H . . 3.490 2.902 2.846 2.946 . 0 0 "[ . 1 . 2]" 2
80 1 38 HIS H 1 38 HIS HB2 . . 3.090 2.568 2.528 2.609 . 0 0 "[ . 1 . 2]" 2
81 1 38 HIS H 1 38 HIS HB3 . . 3.840 3.730 3.706 3.748 . 0 0 "[ . 1 . 2]" 2
82 1 34 LEU HB2 1 38 HIS H . . 3.830 2.595 2.555 2.636 . 0 0 "[ . 1 . 2]" 2
83 1 34 LEU HG 1 38 HIS H . . 4.800 4.774 4.735 4.799 . 0 0 "[ . 1 . 2]" 2
84 1 38 HIS H 1 39 LEU HG . . 5.060 4.973 4.875 5.054 . 0 0 "[ . 1 . 2]" 2
85 1 60 LYS H 1 60 LYS HB2 . . 3.550 2.259 2.159 2.761 . 0 0 "[ . 1 . 2]" 2
86 1 60 LYS H 1 60 LYS HG2 . . 4.640 3.549 3.026 4.657 0.017 20 0 "[ . 1 . 2]" 2
87 1 60 LYS H 1 60 LYS HG3 . . 4.640 3.938 3.607 4.546 . 0 0 "[ . 1 . 2]" 2
88 1 17 GLU HA 1 24 ASP H . . 4.290 4.068 4.044 4.097 . 0 0 "[ . 1 . 2]" 2
89 1 23 GLU HB2 1 24 ASP H . . 3.120 1.892 1.886 1.902 . 0 0 "[ . 1 . 2]" 2
90 1 49 LEU HA 1 53 ASP H . . 3.690 1.948 1.885 2.240 . 0 0 "[ . 1 . 2]" 2
91 1 52 HIS HB3 1 53 ASP H . . 4.700 4.089 3.897 4.246 . 0 0 "[ . 1 . 2]" 2
92 1 28 GLY H 1 29 GLU H . . 3.350 2.453 2.396 2.544 . 0 0 "[ . 1 . 2]" 2
93 1 28 GLY HA2 1 29 GLU H . . 3.490 3.479 3.455 3.507 0.017 20 0 "[ . 1 . 2]" 2
94 1 29 GLU H 1 29 GLU HB2 . . 2.750 2.211 2.166 2.246 . 0 0 "[ . 1 . 2]" 2
95 1 29 GLU H 1 29 GLU HB3 . . 3.560 3.509 3.475 3.529 . 0 0 "[ . 1 . 2]" 2
96 1 26 ALA MB 1 29 GLU H . . 4.200 2.060 1.888 2.366 . 0 0 "[ . 1 . 2]" 2
97 1 24 ASP H 1 25 TYR H . . 4.500 4.343 4.335 4.349 . 0 0 "[ . 1 . 2]" 2
98 1 25 TYR H 1 25 TYR QE . . 5.270 5.174 5.135 5.194 . 0 0 "[ . 1 . 2]" 2
99 1 24 ASP HA 1 25 TYR H . . 2.660 2.480 2.458 2.501 . 0 0 "[ . 1 . 2]" 2
100 1 17 GLU HA 1 25 TYR H . . 3.320 3.137 3.092 3.188 . 0 0 "[ . 1 . 2]" 2
101 1 25 TYR H 1 25 TYR HB2 . . 3.090 2.392 2.366 2.416 . 0 0 "[ . 1 . 2]" 2
102 1 24 ASP QB 1 25 TYR H . . 3.400 2.481 2.200 3.208 . 0 0 "[ . 1 . 2]" 2
103 1 65 GLN H 1 65 GLN QG . . 4.590 3.233 2.127 4.473 . 0 0 "[ . 1 . 2]" 2
104 1 32 ARG H 1 41 HIS H . . 5.070 4.706 4.679 4.733 . 0 0 "[ . 1 . 2]" 2
105 1 41 HIS H 1 45 ILE H . . 4.510 4.405 4.336 4.479 . 0 0 "[ . 1 . 2]" 2
106 1 25 TYR QE 1 41 HIS H . . 3.510 2.755 2.638 2.835 . 0 0 "[ . 1 . 2]" 2
107 1 40 PHE HA 1 41 HIS H . . 2.890 2.237 2.228 2.251 . 0 0 "[ . 1 . 2]" 2
108 1 41 HIS H 1 41 HIS HB3 . . 3.600 3.576 3.571 3.579 . 0 0 "[ . 1 . 2]" 2
109 1 18 CYS HB3 1 41 HIS H . . 3.980 3.753 3.685 3.819 . 0 0 "[ . 1 . 2]" 2
110 1 41 HIS H 1 44 CYS HB2 . . 3.610 2.925 2.863 2.982 . 0 0 "[ . 1 . 2]" 2
111 1 20 VAL MG2 1 41 HIS H . . 4.540 3.231 3.180 3.350 . 0 0 "[ . 1 . 2]" 2
112 1 31 VAL MG1 1 41 HIS H . . 4.550 3.924 3.867 3.987 . 0 0 "[ . 1 . 2]" 2
113 1 41 HIS H 1 45 ILE HB . . 4.460 4.377 4.323 4.427 . 0 0 "[ . 1 . 2]" 2
114 1 21 CYS H 1 23 GLU H . . 3.980 3.878 3.848 3.909 . 0 0 "[ . 1 . 2]" 2
115 1 22 LYS HA 1 23 GLU H . . 3.270 2.804 2.795 2.813 . 0 0 "[ . 1 . 2]" 2
116 1 18 CYS HB3 1 23 GLU H . . 3.660 3.451 3.399 3.552 . 0 0 "[ . 1 . 2]" 2
117 1 21 CYS HB2 1 23 GLU H . . 4.390 3.789 3.752 3.819 . 0 0 "[ . 1 . 2]" 2
118 1 23 GLU H 1 23 GLU HG3 . . 3.860 3.727 3.714 3.738 . 0 0 "[ . 1 . 2]" 2
119 1 23 GLU H 1 23 GLU HB2 . . 2.940 2.448 2.436 2.456 . 0 0 "[ . 1 . 2]" 2
120 1 23 GLU H 1 23 GLU HG2 . . 3.380 2.892 2.877 2.905 . 0 0 "[ . 1 . 2]" 2
121 1 22 LYS HB3 1 23 GLU H . . 4.740 4.485 4.477 4.493 . 0 0 "[ . 1 . 2]" 2
122 1 17 GLU HB3 1 23 GLU H . . 4.990 4.990 4.916 5.010 0.020 11 0 "[ . 1 . 2]" 2
123 1 21 CYS HB3 1 23 GLU H . . 4.780 4.830 4.813 4.847 0.067 15 0 "[ . 1 . 2]" 2
124 1 48 TRP QB 1 49 LEU H . . 3.210 2.229 2.194 2.279 . 0 0 "[ . 1 . 2]" 2
125 1 49 LEU H 1 49 LEU HG . . 2.920 1.895 1.886 1.922 . 0 0 "[ . 1 . 2]" 2
126 1 45 ILE HG13 1 49 LEU H . . 4.230 3.368 3.265 3.420 . 0 0 "[ . 1 . 2]" 2
127 1 45 ILE MG 1 49 LEU H . . 4.410 4.005 3.972 4.038 . 0 0 "[ . 1 . 2]" 2
128 1 17 GLU H 1 25 TYR QD . . 5.300 4.700 4.634 4.793 . 0 0 "[ . 1 . 2]" 2
129 1 15 GLY HA2 1 17 GLU H . . 4.150 3.286 3.232 3.332 . 0 0 "[ . 1 . 2]" 2
130 1 17 GLU H 1 17 GLU HG3 . . 3.900 3.600 3.036 3.753 . 0 0 "[ . 1 . 2]" 2
131 1 17 GLU H 1 17 GLU HB3 . . 2.890 2.497 2.438 2.556 . 0 0 "[ . 1 . 2]" 2
132 1 16 LEU MD1 1 17 GLU H . . 3.780 2.335 2.299 2.384 . 0 0 "[ . 1 . 2]" 2
133 1 20 VAL H 1 40 PHE QD . . 3.660 2.915 2.898 2.986 . 0 0 "[ . 1 . 2]" 2
134 1 18 CYS HB3 1 20 VAL H . . 4.670 4.496 4.466 4.530 . 0 0 "[ . 1 . 2]" 2
135 1 19 PRO HB2 1 20 VAL H . . 4.010 3.337 3.313 3.351 . 0 0 "[ . 1 . 2]" 2
136 1 19 PRO HG3 1 20 VAL H . . 4.340 3.883 3.862 3.897 . 0 0 "[ . 1 . 2]" 2
137 1 20 VAL H 1 40 PHE QE . . 4.270 4.167 4.146 4.205 . 0 0 "[ . 1 . 2]" 2
138 1 19 PRO HD3 1 20 VAL H . . 4.060 3.837 3.836 3.838 . 0 0 "[ . 1 . 2]" 2
139 1 20 VAL H 1 44 CYS HB2 . . 4.910 4.841 4.825 4.879 . 0 0 "[ . 1 . 2]" 2
140 1 20 VAL H 1 20 VAL HB . . 2.940 2.803 2.776 2.811 . 0 0 "[ . 1 . 2]" 2
141 1 19 PRO HG2 1 20 VAL H . . 4.020 2.372 2.343 2.390 . 0 0 "[ . 1 . 2]" 2
142 1 20 VAL H 1 21 CYS H . . 2.940 2.889 2.876 2.925 . 0 0 "[ . 1 . 2]" 2
143 1 19 PRO HB3 1 20 VAL H . . 4.170 4.142 4.128 4.151 . 0 0 "[ . 1 . 2]" 2
144 1 20 VAL H 1 20 VAL MG2 . . 2.970 1.851 1.832 1.882 . 0 0 "[ . 1 . 2]" 2
145 1 20 VAL H 1 22 LYS H . . 3.770 3.699 3.669 3.756 . 0 0 "[ . 1 . 2]" 2
146 1 18 CYS H 1 22 LYS H . . 4.940 4.808 4.721 4.863 . 0 0 "[ . 1 . 2]" 2
147 1 19 PRO HA 1 22 LYS H . . 4.170 3.407 3.351 3.472 . 0 0 "[ . 1 . 2]" 2
148 1 22 LYS H 1 22 LYS HA . . 2.590 2.275 2.274 2.277 . 0 0 "[ . 1 . 2]" 2
149 1 18 CYS HB3 1 22 LYS H . . 3.970 3.839 3.796 3.896 . 0 0 "[ . 1 . 2]" 2
150 1 21 CYS HB2 1 22 LYS H . . 4.180 3.925 3.866 3.967 . 0 0 "[ . 1 . 2]" 2
151 1 20 VAL HB 1 22 LYS H . . 4.320 4.301 4.280 4.314 . 0 0 "[ . 1 . 2]" 2
152 1 22 LYS H 1 22 LYS HB2 . . 4.090 3.647 3.634 3.674 . 0 0 "[ . 1 . 2]" 2
153 1 20 VAL MG1 1 22 LYS H . . 5.160 5.106 5.066 5.122 . 0 0 "[ . 1 . 2]" 2
154 1 22 LYS H 1 41 HIS HE1 . . 5.290 5.095 4.991 5.179 . 0 0 "[ . 1 . 2]" 2
155 1 18 CYS HA 1 22 LYS H . . 4.850 4.792 4.783 4.808 . 0 0 "[ . 1 . 2]" 2
156 1 21 CYS HB3 1 22 LYS H . . 4.360 4.252 4.224 4.284 . 0 0 "[ . 1 . 2]" 2
157 1 44 CYS H 1 47 PRO HD2 . . 4.660 3.700 3.653 3.751 . 0 0 "[ . 1 . 2]" 2
158 1 42 ASP H 1 44 CYS H . . 4.390 4.097 4.087 4.111 . 0 0 "[ . 1 . 2]" 2
159 1 41 HIS H 1 44 CYS H . . 4.360 4.278 4.234 4.325 . 0 0 "[ . 1 . 2]" 2
160 1 44 CYS H 1 45 ILE H . . 2.840 2.052 1.994 2.096 . 0 0 "[ . 1 . 2]" 2
161 1 41 HIS HA 1 44 CYS H . . 4.390 4.261 4.224 4.298 . 0 0 "[ . 1 . 2]" 2
162 1 44 CYS H 1 45 ILE HA . . 4.910 4.786 4.738 4.822 . 0 0 "[ . 1 . 2]" 2
163 1 43 SER HB3 1 44 CYS H . . 4.020 3.438 3.360 3.514 . 0 0 "[ . 1 . 2]" 2
164 1 41 HIS HB2 1 44 CYS H . . 3.050 2.801 2.754 2.869 . 0 0 "[ . 1 . 2]" 2
165 1 41 HIS HB3 1 44 CYS H . . 3.130 2.926 2.863 2.996 . 0 0 "[ . 1 . 2]" 2
166 1 40 PHE HB3 1 44 CYS H . . 5.100 4.985 4.946 5.013 . 0 0 "[ . 1 . 2]" 2
167 1 44 CYS H 1 44 CYS HB2 . . 3.020 2.465 2.428 2.491 . 0 0 "[ . 1 . 2]" 2
168 1 44 CYS H 1 44 CYS HB3 . . 3.730 3.673 3.651 3.689 . 0 0 "[ . 1 . 2]" 2
169 1 40 PHE HB2 1 44 CYS H . . 5.500 5.492 5.451 5.521 0.021 11 0 "[ . 1 . 2]" 2
170 1 44 CYS H 1 47 PRO HG2 . . 5.040 4.859 4.790 4.927 . 0 0 "[ . 1 . 2]" 2
171 1 44 CYS H 1 45 ILE HB . . 4.360 4.242 4.196 4.274 . 0 0 "[ . 1 . 2]" 2
172 1 20 VAL MG2 1 44 CYS H . . 4.520 4.459 4.437 4.503 . 0 0 "[ . 1 . 2]" 2
173 1 46 VAL HA 1 48 TRP H . . 4.410 4.007 3.917 4.095 . 0 0 "[ . 1 . 2]" 2
174 1 47 PRO HG2 1 48 TRP H . . 3.710 2.879 2.759 2.992 . 0 0 "[ . 1 . 2]" 2
175 1 45 ILE MG 1 48 TRP H . . 4.410 4.278 4.258 4.308 . 0 0 "[ . 1 . 2]" 2
176 1 46 VAL MG1 1 48 TRP H . . 4.440 4.190 4.144 4.258 . 0 0 "[ . 1 . 2]" 2
177 1 45 ILE MD 1 48 TRP H . . 4.240 4.223 4.162 4.295 0.055 12 0 "[ . 1 . 2]" 2
178 1 48 TRP H 1 49 LEU H . . 3.060 2.594 2.538 2.665 . 0 0 "[ . 1 . 2]" 2
179 1 48 TRP H 1 50 GLU H . . 3.910 3.623 3.575 3.725 . 0 0 "[ . 1 . 2]" 2
180 1 45 ILE HA 1 48 TRP H . . 3.710 3.223 3.169 3.282 . 0 0 "[ . 1 . 2]" 2
181 1 48 TRP H 1 48 TRP QB . . 2.630 2.275 2.256 2.292 . 0 0 "[ . 1 . 2]" 2
182 1 47 PRO HB3 1 48 TRP H . . 4.410 4.350 4.306 4.392 . 0 0 "[ . 1 . 2]" 2
183 1 47 PRO HB2 1 48 TRP H . . 3.850 3.695 3.619 3.766 . 0 0 "[ . 1 . 2]" 2
184 1 48 TRP H 1 49 LEU HB2 . . 4.940 4.822 4.744 4.900 . 0 0 "[ . 1 . 2]" 2
185 1 45 ILE HG13 1 48 TRP H . . 4.990 4.673 4.576 4.740 . 0 0 "[ . 1 . 2]" 2
186 1 29 GLU H 1 30 SER H . . 4.710 4.470 4.424 4.513 . 0 0 "[ . 1 . 2]" 2
187 1 29 GLU HA 1 30 SER H . . 2.750 2.139 2.138 2.141 . 0 0 "[ . 1 . 2]" 2
188 1 30 SER H 1 30 SER HB2 . . 3.040 2.489 2.431 2.561 . 0 0 "[ . 1 . 2]" 2
189 1 29 GLU HB3 1 30 SER H . . 3.810 3.565 3.465 3.635 . 0 0 "[ . 1 . 2]" 2
190 1 48 TRP HA 1 50 GLU H . . 4.770 4.183 4.106 4.273 . 0 0 "[ . 1 . 2]" 2
191 1 48 TRP QB 1 50 GLU H . . 4.450 4.409 4.364 4.461 0.011 4 0 "[ . 1 . 2]" 2
192 1 50 GLU H 1 50 GLU HB2 . . 3.070 2.330 2.263 2.388 . 0 0 "[ . 1 . 2]" 2
193 1 50 GLU H 1 50 GLU HB3 . . 3.700 3.566 3.540 3.584 . 0 0 "[ . 1 . 2]" 2
194 1 49 LEU H 1 50 GLU H . . 3.400 2.729 2.706 2.753 . 0 0 "[ . 1 . 2]" 2
195 1 50 GLU H 1 52 HIS H . . 4.180 4.191 4.161 4.227 0.047 18 0 "[ . 1 . 2]" 2
196 1 46 VAL HA 1 50 GLU H . . 4.490 4.437 4.367 4.492 0.002 8 0 "[ . 1 . 2]" 2
197 1 49 LEU HB2 1 50 GLU H . . 4.000 2.799 2.716 2.872 . 0 0 "[ . 1 . 2]" 2
198 1 50 GLU H 1 51 GLN HB2 . . 4.830 4.449 4.380 4.520 . 0 0 "[ . 1 . 2]" 2
199 1 43 SER H 1 45 ILE H . . 4.370 3.698 3.660 3.721 . 0 0 "[ . 1 . 2]" 2
200 1 45 ILE H 1 46 VAL H . . 3.050 2.404 2.374 2.416 . 0 0 "[ . 1 . 2]" 2
201 1 45 ILE H 1 47 PRO HD2 . . 4.020 3.092 3.054 3.125 . 0 0 "[ . 1 . 2]" 2
202 1 40 PHE HB3 1 45 ILE H . . 3.960 3.838 3.795 3.888 . 0 0 "[ . 1 . 2]" 2
203 1 44 CYS HB2 1 45 ILE H . . 3.390 2.808 2.778 2.860 . 0 0 "[ . 1 . 2]" 2
204 1 40 PHE HB2 1 45 ILE H . . 4.040 4.046 4.011 4.073 0.033 9 0 "[ . 1 . 2]" 2
205 1 45 ILE H 1 46 VAL HB . . 4.280 4.206 4.170 4.224 . 0 0 "[ . 1 . 2]" 2
206 1 45 ILE H 1 45 ILE HB . . 3.180 2.410 2.394 2.436 . 0 0 "[ . 1 . 2]" 2
207 1 45 ILE H 1 45 ILE MG . . 2.800 2.486 2.456 2.509 . 0 0 "[ . 1 . 2]" 2
208 1 20 VAL MG2 1 45 ILE H . . 4.050 3.849 3.817 3.942 . 0 0 "[ . 1 . 2]" 2
209 1 45 ILE H 1 45 ILE MD . . 3.960 3.823 3.783 3.866 . 0 0 "[ . 1 . 2]" 2
210 1 32 ARG H 1 40 PHE H . . 3.380 2.684 2.661 2.704 . 0 0 "[ . 1 . 2]" 2
211 1 40 PHE H 1 40 PHE QD . . 3.170 2.825 2.771 2.911 . 0 0 "[ . 1 . 2]" 2
212 1 40 PHE H 1 40 PHE QE . . 4.990 4.857 4.826 4.906 . 0 0 "[ . 1 . 2]" 2
213 1 33 GLN HA 1 40 PHE H . . 3.830 3.590 3.565 3.617 . 0 0 "[ . 1 . 2]" 2
214 1 39 LEU HA 1 40 PHE H . . 2.710 2.344 2.330 2.361 . 0 0 "[ . 1 . 2]" 2
215 1 40 PHE H 1 40 PHE HB3 . . 4.120 3.999 3.991 4.009 . 0 0 "[ . 1 . 2]" 2
216 1 40 PHE H 1 40 PHE HB2 . . 3.330 3.054 3.038 3.071 . 0 0 "[ . 1 . 2]" 2
217 1 32 ARG HB2 1 40 PHE H . . 5.210 5.194 5.166 5.213 0.003 10 0 "[ . 1 . 2]" 2
218 1 32 ARG HB3 1 40 PHE H . . 3.950 3.834 3.800 3.855 . 0 0 "[ . 1 . 2]" 2
219 1 39 LEU QB 1 40 PHE H . . 3.140 2.561 2.514 2.599 . 0 0 "[ . 1 . 2]" 2
220 1 40 PHE H 1 45 ILE MG . . 4.800 4.674 4.640 4.720 . 0 0 "[ . 1 . 2]" 2
221 1 31 VAL MG1 1 40 PHE H . . 3.940 3.951 3.918 3.974 0.034 7 0 "[ . 1 . 2]" 2
222 1 40 PHE H 1 45 ILE HG12 . . 5.090 5.065 5.022 5.103 0.013 12 0 "[ . 1 . 2]" 2
223 1 56 PRO HA 1 59 ARG H . . 4.850 4.602 4.443 4.728 . 0 0 "[ . 1 . 2]" 2
224 1 57 VAL H 1 59 ARG H . . 4.010 2.706 2.658 2.738 . 0 0 "[ . 1 . 2]" 2
225 1 58 CYS H 1 59 ARG H . . 3.340 2.096 1.958 2.270 . 0 0 "[ . 1 . 2]" 2
226 1 59 ARG H 1 60 LYS HA . . 5.370 5.196 5.129 5.272 . 0 0 "[ . 1 . 2]" 2
227 1 59 ARG H 1 59 ARG HA . . 2.710 2.276 2.273 2.282 . 0 0 "[ . 1 . 2]" 2
228 1 57 VAL HA 1 59 ARG H . . 4.900 4.554 4.416 4.626 . 0 0 "[ . 1 . 2]" 2
229 1 54 SER HB2 1 59 ARG H . . 5.360 5.279 5.120 5.365 0.005 9 0 "[ . 1 . 2]" 2
230 1 58 CYS HB2 1 59 ARG H . . 4.380 4.213 4.148 4.313 . 0 0 "[ . 1 . 2]" 2
231 1 55 CYS QB 1 59 ARG H . . 3.180 1.892 1.866 2.033 . 0 0 "[ . 1 . 2]" 2
232 1 58 CYS HB3 1 59 ARG H . . 4.240 4.174 4.084 4.243 0.003 14 0 "[ . 1 . 2]" 2
233 1 19 PRO HG2 1 21 CYS H . . 5.380 5.227 5.212 5.254 . 0 0 "[ . 1 . 2]" 2
234 1 21 CYS H 1 22 LYS H . . 2.830 1.998 1.976 2.029 . 0 0 "[ . 1 . 2]" 2
235 1 19 PRO HA 1 21 CYS H . . 4.660 4.480 4.443 4.556 . 0 0 "[ . 1 . 2]" 2
236 1 18 CYS HB3 1 21 CYS H . . 3.750 3.680 3.645 3.747 . 0 0 "[ . 1 . 2]" 2
237 1 21 CYS H 1 21 CYS HB3 . . 3.340 3.117 3.091 3.145 . 0 0 "[ . 1 . 2]" 2
238 1 20 VAL MG2 1 21 CYS H . . 3.650 3.537 3.513 3.572 . 0 0 "[ . 1 . 2]" 2
239 1 13 GLY QA 1 14 SER H . . 3.260 2.660 2.153 2.720 . 0 0 "[ . 1 . 2]" 2
240 1 52 HIS H 1 53 ASP H . . 4.090 1.953 1.859 2.072 . 0 0 "[ . 1 . 2]" 2
241 1 48 TRP HD1 1 52 HIS H . . 4.890 4.807 4.706 4.883 . 0 0 "[ . 1 . 2]" 2
242 1 52 HIS H 1 52 HIS HD2 . . 4.290 2.520 2.436 2.690 . 0 0 "[ . 1 . 2]" 2
243 1 49 LEU HA 1 52 HIS H . . 3.520 3.139 3.078 3.222 . 0 0 "[ . 1 . 2]" 2
244 1 52 HIS H 1 52 HIS HB2 . . 3.720 2.741 2.689 2.787 . 0 0 "[ . 1 . 2]" 2
245 1 52 HIS H 1 52 HIS HB3 . . 3.900 3.761 3.715 3.800 . 0 0 "[ . 1 . 2]" 2
246 1 51 GLN HB3 1 52 HIS H . . 4.000 3.395 3.311 3.521 . 0 0 "[ . 1 . 2]" 2
247 1 51 GLN HB2 1 52 HIS H . . 3.910 2.799 2.681 2.907 . 0 0 "[ . 1 . 2]" 2
248 1 48 TRP HE1 1 54 SER H . . 3.760 3.389 3.184 3.540 . 0 0 "[ . 1 . 2]" 2
249 1 48 TRP HE1 1 49 LEU HA . . 4.770 4.624 4.396 4.777 0.007 1 0 "[ . 1 . 2]" 2
250 1 48 TRP HE1 1 55 CYS HA . . 4.070 3.575 3.340 3.834 . 0 0 "[ . 1 . 2]" 2
251 1 48 TRP HE1 1 54 SER HB2 . . 4.200 3.603 3.542 3.686 . 0 0 "[ . 1 . 2]" 2
252 1 48 TRP HE1 1 56 PRO HD3 . . 3.600 2.670 2.502 2.790 . 0 0 "[ . 1 . 2]" 2
253 1 48 TRP HE1 1 52 HIS HB2 . . 3.590 3.024 2.859 3.140 . 0 0 "[ . 1 . 2]" 2
254 1 48 TRP HE1 1 52 HIS HB3 . . 4.230 4.107 3.927 4.246 0.016 17 0 "[ . 1 . 2]" 2
255 1 48 TRP HE1 1 56 PRO HB3 . . 3.970 3.178 3.024 3.324 . 0 0 "[ . 1 . 2]" 2
256 1 48 TRP HE1 1 49 LEU MD2 . . 3.810 3.532 3.348 3.675 . 0 0 "[ . 1 . 2]" 2
257 1 48 TRP HE1 1 56 PRO HG3 . . 4.410 4.235 4.066 4.354 . 0 0 "[ . 1 . 2]" 2
258 1 48 TRP HE1 1 56 PRO HA . . 3.830 2.916 2.748 3.084 . 0 0 "[ . 1 . 2]" 2
259 1 74 LEU HB2 1 75 THR H . . 5.500 3.545 2.282 4.614 . 0 0 "[ . 1 . 2]" 2
260 1 74 LEU HB3 1 75 THR H . . 5.500 3.555 2.203 4.414 . 0 0 "[ . 1 . 2]" 2
261 1 37 ASN H 1 38 HIS HB2 . . 4.880 4.637 4.593 4.674 . 0 0 "[ . 1 . 2]" 2
262 1 33 GLN HG3 1 37 ASN H . . 4.520 4.497 4.475 4.524 0.004 8 0 "[ . 1 . 2]" 2
263 1 37 ASN H 1 38 HIS H . . 3.120 2.480 2.460 2.522 . 0 0 "[ . 1 . 2]" 2
264 1 36 CYS HA 1 37 ASN H . . 3.250 3.130 3.101 3.151 . 0 0 "[ . 1 . 2]" 2
265 1 37 ASN H 1 37 ASN HA . . 2.540 2.284 2.280 2.286 . 0 0 "[ . 1 . 2]" 2
266 1 35 PRO HD2 1 37 ASN H . . 5.490 5.176 5.146 5.210 . 0 0 "[ . 1 . 2]" 2
267 1 36 CYS HB3 1 37 ASN H . . 4.720 4.545 4.506 4.572 . 0 0 "[ . 1 . 2]" 2
268 1 30 SER HB3 1 42 ASP H . . 4.260 3.819 3.772 3.874 . 0 0 "[ . 1 . 2]" 2
269 1 41 HIS HB2 1 42 ASP H . . 4.290 4.234 4.213 4.250 . 0 0 "[ . 1 . 2]" 2
270 1 41 HIS HB3 1 42 ASP H . . 3.730 3.157 3.117 3.184 . 0 0 "[ . 1 . 2]" 2
271 1 32 ARG HB2 1 42 ASP H . . 5.460 5.169 5.113 5.223 . 0 0 "[ . 1 . 2]" 2
272 1 31 VAL HB 1 42 ASP H . . 5.390 5.202 5.150 5.288 . 0 0 "[ . 1 . 2]" 2
273 1 42 ASP H 1 45 ILE MG . . 4.870 4.598 4.528 4.674 . 0 0 "[ . 1 . 2]" 2
274 1 31 VAL MG2 1 42 ASP H . . 5.150 5.034 5.000 5.084 . 0 0 "[ . 1 . 2]" 2
275 1 31 VAL MG1 1 42 ASP H . . 4.060 3.741 3.693 3.797 . 0 0 "[ . 1 . 2]" 2
276 1 18 CYS H 1 24 ASP H . . 4.240 3.426 3.388 3.467 . 0 0 "[ . 1 . 2]" 2
277 1 18 CYS H 1 24 ASP HA . . 3.500 3.103 3.052 3.162 . 0 0 "[ . 1 . 2]" 2
278 1 18 CYS H 1 19 PRO HD3 . . 4.850 4.745 4.731 4.777 . 0 0 "[ . 1 . 2]" 2
279 1 17 GLU HA 1 18 CYS H . . 2.750 2.208 2.199 2.226 . 0 0 "[ . 1 . 2]" 2
280 1 18 CYS H 1 22 LYS HA . . 4.770 4.730 4.678 4.761 . 0 0 "[ . 1 . 2]" 2
281 1 18 CYS H 1 19 PRO HD2 . . 4.910 4.761 4.755 4.772 . 0 0 "[ . 1 . 2]" 2
282 1 18 CYS H 1 18 CYS HB3 . . 2.900 2.274 2.232 2.296 . 0 0 "[ . 1 . 2]" 2
283 1 18 CYS H 1 24 ASP QB . . 5.140 4.851 4.780 4.952 . 0 0 "[ . 1 . 2]" 2
284 1 51 GLN H 1 53 ASP H . . 4.970 2.832 2.663 2.986 . 0 0 "[ . 1 . 2]" 2
285 1 8 THR H 1 9 GLU H . . 4.520 3.702 2.631 4.279 . 0 0 "[ . 1 . 2]" 2
286 1 51 GLN H 1 52 HIS H . . 2.950 1.940 1.855 2.032 . 0 0 "[ . 1 . 2]" 2
287 1 50 GLU H 1 51 GLN H . . 3.260 2.635 2.569 2.668 . 0 0 "[ . 1 . 2]" 2
288 1 49 LEU HA 1 51 GLN H . . 3.970 3.417 3.356 3.519 . 0 0 "[ . 1 . 2]" 2
289 1 48 TRP HA 1 51 GLN H . . 4.070 3.814 3.693 3.915 . 0 0 "[ . 1 . 2]" 2
290 1 51 GLN H 1 51 GLN HB3 . . 3.760 3.641 3.595 3.716 . 0 0 "[ . 1 . 2]" 2
291 1 51 GLN H 1 51 GLN HB2 . . 3.300 2.495 2.419 2.574 . 0 0 "[ . 1 . 2]" 2
292 1 8 THR H 1 9 GLU HA . . 4.800 4.616 4.243 4.796 . 0 0 "[ . 1 . 2]" 2
293 1 49 LEU H 1 51 GLN H . . 4.820 4.080 4.042 4.117 . 0 0 "[ . 1 . 2]" 2
294 1 68 ALA MB 1 69 THR H . . 4.880 3.122 2.301 3.717 . 0 0 "[ . 1 . 2]" 2
295 1 32 ARG HD2 1 33 GLN H . . 4.390 4.372 4.318 4.404 0.014 2 0 "[ . 1 . 2]" 2
296 1 33 GLN H 1 39 LEU HA . . 4.700 4.529 4.499 4.548 . 0 0 "[ . 1 . 2]" 2
297 1 32 ARG HA 1 33 GLN H . . 2.580 2.183 2.177 2.195 . 0 0 "[ . 1 . 2]" 2
298 1 33 GLN H 1 33 GLN HB3 . . 3.130 2.618 2.610 2.630 . 0 0 "[ . 1 . 2]" 2
299 1 32 ARG HB2 1 33 GLN H . . 3.820 3.824 3.793 3.838 0.018 6 0 "[ . 1 . 2]" 2
300 1 33 GLN H 1 33 GLN HB2 . . 3.080 2.762 2.745 2.787 . 0 0 "[ . 1 . 2]" 2
301 1 32 ARG HG3 1 33 GLN H . . 3.570 2.459 2.384 2.503 . 0 0 "[ . 1 . 2]" 2
302 1 33 GLN H 1 39 LEU HG . . 5.220 4.983 4.947 5.022 . 0 0 "[ . 1 . 2]" 2
303 1 33 GLN H 1 45 ILE MG . . 5.500 5.527 5.509 5.540 0.040 20 0 "[ . 1 . 2]" 2
304 1 33 GLN H 1 34 LEU H . . 4.640 4.519 4.511 4.530 . 0 0 "[ . 1 . 2]" 2
305 1 36 CYS H 1 37 ASN H . . 2.840 2.275 2.257 2.313 . 0 0 "[ . 1 . 2]" 2
306 1 36 CYS H 1 37 ASN HA . . 4.490 4.447 4.434 4.456 . 0 0 "[ . 1 . 2]" 2
307 1 34 LEU H 1 36 CYS H . . 4.330 4.194 4.174 4.203 . 0 0 "[ . 1 . 2]" 2
308 1 36 CYS H 1 38 HIS H . . 3.750 3.067 3.011 3.162 . 0 0 "[ . 1 . 2]" 2
309 1 35 PRO HD3 1 36 CYS H . . 4.100 4.088 4.083 4.097 . 0 0 "[ . 1 . 2]" 2
310 1 35 PRO HD2 1 36 CYS H . . 3.510 3.113 3.103 3.131 . 0 0 "[ . 1 . 2]" 2
311 1 36 CYS H 1 36 CYS HB3 . . 3.390 3.170 3.084 3.207 . 0 0 "[ . 1 . 2]" 2
312 1 34 LEU HB2 1 36 CYS H . . 3.210 3.042 3.013 3.051 . 0 0 "[ . 1 . 2]" 2
313 1 35 PRO HG3 1 36 CYS H . . 4.800 4.707 4.696 4.724 . 0 0 "[ . 1 . 2]" 2
314 1 35 PRO HG2 1 36 CYS H . . 3.720 3.463 3.449 3.486 . 0 0 "[ . 1 . 2]" 2
315 1 34 LEU MD1 1 36 CYS H . . 4.200 4.114 4.097 4.145 . 0 0 "[ . 1 . 2]" 2
316 1 36 CYS H 1 62 LEU MD2 . . 4.250 4.118 4.006 4.210 . 0 0 "[ . 1 . 2]" 2
317 1 34 LEU H 1 38 HIS H . . 4.130 2.906 2.815 2.999 . 0 0 "[ . 1 . 2]" 2
318 1 33 GLN HE21 1 34 LEU H . . 4.690 4.385 4.343 4.421 . 0 0 "[ . 1 . 2]" 2
319 1 34 LEU H 1 40 PHE QD . . 4.370 3.781 3.730 3.808 . 0 0 "[ . 1 . 2]" 2
320 1 34 LEU H 1 38 HIS HB2 . . 4.470 4.072 4.035 4.104 . 0 0 "[ . 1 . 2]" 2
321 1 34 LEU H 1 39 LEU HG . . 4.280 3.922 3.903 3.949 . 0 0 "[ . 1 . 2]" 2
322 1 34 LEU H 1 39 LEU MD1 . . 5.500 5.314 5.297 5.333 . 0 0 "[ . 1 . 2]" 2
323 1 34 LEU H 1 37 ASN H . . 4.500 4.294 4.263 4.345 . 0 0 "[ . 1 . 2]" 2
324 1 34 LEU H 1 40 PHE H . . 5.110 4.977 4.941 5.020 . 0 0 "[ . 1 . 2]" 2
325 1 34 LEU H 1 40 PHE QE . . 4.160 3.621 3.598 3.639 . 0 0 "[ . 1 . 2]" 2
326 1 33 GLN HA 1 34 LEU H . . 2.720 2.210 2.201 2.218 . 0 0 "[ . 1 . 2]" 2
327 1 34 LEU H 1 39 LEU HA . . 3.530 3.060 3.006 3.110 . 0 0 "[ . 1 . 2]" 2
328 1 34 LEU H 1 37 ASN HA . . 4.760 4.696 4.664 4.728 . 0 0 "[ . 1 . 2]" 2
329 1 34 LEU H 1 35 PRO HD3 . . 5.180 5.090 5.087 5.092 . 0 0 "[ . 1 . 2]" 2
330 1 34 LEU H 1 34 LEU HB2 . . 2.980 2.312 2.301 2.328 . 0 0 "[ . 1 . 2]" 2
331 1 34 LEU H 1 34 LEU HG . . 3.270 3.139 3.082 3.163 . 0 0 "[ . 1 . 2]" 2
332 1 33 GLN HG3 1 34 LEU H . . 3.270 2.408 2.371 2.444 . 0 0 "[ . 1 . 2]" 2
333 1 34 LEU H 1 34 LEU MD1 . . 4.120 4.134 4.045 4.160 0.040 13 0 "[ . 1 . 2]" 2
334 1 61 SER HB2 1 63 THR H . . 4.600 4.528 4.143 4.611 0.011 9 0 "[ . 1 . 2]" 2
335 1 62 LEU MD2 1 63 THR H . . 4.750 4.611 4.458 4.697 . 0 0 "[ . 1 . 2]" 2
336 1 62 LEU H 1 63 THR H . . 3.360 2.976 2.169 3.246 . 0 0 "[ . 1 . 2]" 2
337 1 61 SER HA 1 63 THR H . . 4.240 3.743 3.359 3.946 . 0 0 "[ . 1 . 2]" 2
338 1 62 LEU HA 1 63 THR H . . 3.420 2.894 2.775 3.385 . 0 0 "[ . 1 . 2]" 2
339 1 63 THR H 1 63 THR HB . . 3.630 3.366 2.815 3.556 . 0 0 "[ . 1 . 2]" 2
340 1 61 SER HB3 1 63 THR H . . 4.600 3.564 3.090 4.519 . 0 0 "[ . 1 . 2]" 2
341 1 62 LEU HB2 1 63 THR H . . 4.180 4.045 3.216 4.206 0.026 14 0 "[ . 1 . 2]" 2
342 1 63 THR H 1 63 THR MG . . 3.550 2.383 1.875 2.676 . 0 0 "[ . 1 . 2]" 2
343 1 28 GLY H 1 29 GLU HB2 . . 4.860 4.392 4.306 4.514 . 0 0 "[ . 1 . 2]" 2
344 1 27 LEU HB2 1 28 GLY H . . 4.380 2.465 2.346 2.629 . 0 0 "[ . 1 . 2]" 2
345 1 27 LEU MD2 1 28 GLY H . . 4.730 4.676 4.590 4.730 0.000 11 0 "[ . 1 . 2]" 2
346 1 33 GLN HB2 1 33 GLN HE21 . . 4.530 4.158 4.120 4.170 . 0 0 "[ . 1 . 2]" 2
347 1 33 GLN HE21 1 37 ASN HB2 . . 5.060 5.105 5.092 5.122 0.062 7 0 "[ . 1 . 2]" 2
348 1 33 GLN HB3 1 33 GLN HE21 . . 4.650 4.581 4.578 4.588 . 0 0 "[ . 1 . 2]" 2
349 1 33 GLN HE21 1 39 LEU MD1 . . 4.350 3.522 3.460 3.550 . 0 0 "[ . 1 . 2]" 2
350 1 33 GLN HE21 1 39 LEU HG . . 4.540 3.269 3.183 3.303 . 0 0 "[ . 1 . 2]" 2
351 1 33 GLN HE22 1 37 ASN HA . . 4.180 4.035 4.007 4.059 . 0 0 "[ . 1 . 2]" 2
352 1 33 GLN HE22 1 33 GLN HG2 . . 4.010 3.740 3.733 3.760 . 0 0 "[ . 1 . 2]" 2
353 1 33 GLN HB3 1 33 GLN HE22 . . 5.240 5.004 4.999 5.009 . 0 0 "[ . 1 . 2]" 2
354 1 33 GLN HE22 1 33 GLN HG3 . . 3.930 3.507 3.495 3.512 . 0 0 "[ . 1 . 2]" 2
355 1 33 GLN HB2 1 33 GLN HE22 . . 4.640 4.343 4.321 4.351 . 0 0 "[ . 1 . 2]" 2
356 1 33 GLN HE22 1 39 LEU MD2 . . 4.640 4.314 4.258 4.349 . 0 0 "[ . 1 . 2]" 2
357 1 14 SER HA 1 15 GLY H . . 3.260 2.217 2.146 2.721 . 0 0 "[ . 1 . 2]" 2
358 1 33 GLN HE21 1 37 ASN H . . 4.580 4.416 4.385 4.462 . 0 0 "[ . 1 . 2]" 2
359 1 26 ALA H 1 27 LEU H . . 4.400 4.110 4.076 4.248 . 0 0 "[ . 1 . 2]" 2
360 1 25 TYR H 1 26 ALA H . . 4.530 4.438 4.429 4.458 . 0 0 "[ . 1 . 2]" 2
361 1 25 TYR HB3 1 26 ALA H . . 3.390 1.923 1.901 1.980 . 0 0 "[ . 1 . 2]" 2
362 1 25 TYR HB2 1 26 ALA H . . 3.650 3.292 3.245 3.341 . 0 0 "[ . 1 . 2]" 2
363 1 26 ALA H 1 29 GLU HB2 . . 3.400 2.300 2.202 2.363 . 0 0 "[ . 1 . 2]" 2
364 1 26 ALA H 1 31 VAL MG2 . . 4.730 4.063 3.996 4.134 . 0 0 "[ . 1 . 2]" 2
365 1 26 ALA H 1 29 GLU H . . 4.650 3.813 3.711 3.866 . 0 0 "[ . 1 . 2]" 2
366 1 63 THR HB 1 64 GLY H . . 5.260 4.030 3.778 4.665 . 0 0 "[ . 1 . 2]" 2
367 1 75 THR HB 1 76 GLY H . . 5.500 3.698 2.326 4.465 . 0 0 "[ . 1 . 2]" 2
368 1 8 THR MG 1 9 GLU H . . 4.830 3.858 2.932 4.358 . 0 0 "[ . 1 . 2]" 2
369 1 16 LEU H 1 17 GLU H . . 3.030 2.024 1.878 2.157 . 0 0 "[ . 1 . 2]" 2
370 1 18 CYS H 1 40 PHE HA . . 5.400 5.281 5.209 5.318 . 0 0 "[ . 1 . 2]" 2
371 1 18 CYS H 1 18 CYS HB2 . . 2.970 2.812 2.785 2.868 . 0 0 "[ . 1 . 2]" 2
372 1 20 VAL H 1 22 LYS HG2 . . 5.210 4.744 4.700 4.762 . 0 0 "[ . 1 . 2]" 2
373 1 20 VAL H 1 56 PRO HG2 . . 5.500 4.668 4.632 4.727 . 0 0 "[ . 1 . 2]" 2
374 1 20 VAL HB 1 21 CYS H . . 2.880 2.368 2.324 2.396 . 0 0 "[ . 1 . 2]" 2
375 1 18 CYS H 1 23 GLU H . . 3.810 3.837 3.826 3.853 0.043 6 0 "[ . 1 . 2]" 2
376 1 23 GLU H 1 24 ASP H . . 3.740 2.913 2.904 2.930 . 0 0 "[ . 1 . 2]" 2
377 1 25 TYR H 1 31 VAL MG1 . . 5.250 5.154 5.106 5.196 . 0 0 "[ . 1 . 2]" 2
378 1 25 TYR HA 1 26 ALA H . . 2.700 2.651 2.620 2.663 . 0 0 "[ . 1 . 2]" 2
379 1 27 LEU H 1 29 GLU HB2 . . 4.790 4.750 4.705 4.820 0.030 20 0 "[ . 1 . 2]" 2
380 1 27 LEU H 1 29 GLU H . . 5.180 4.069 3.983 4.166 . 0 0 "[ . 1 . 2]" 2
381 1 32 ARG H 1 40 PHE HB3 . . 5.410 5.332 5.315 5.350 . 0 0 "[ . 1 . 2]" 2
382 1 32 ARG H 1 33 GLN H . . 4.430 4.398 4.385 4.419 . 0 0 "[ . 1 . 2]" 2
383 1 34 LEU H 1 35 PRO HA . . 5.500 5.503 5.492 5.519 0.019 10 0 "[ . 1 . 2]" 2
384 1 34 LEU HB3 1 38 HIS H . . 4.180 3.766 3.715 3.856 . 0 0 "[ . 1 . 2]" 2
385 1 33 GLN HA 1 39 LEU H . . 4.920 4.450 4.416 4.473 . 0 0 "[ . 1 . 2]" 2
386 1 34 LEU HG 1 40 PHE H . . 5.190 4.941 4.876 4.979 . 0 0 "[ . 1 . 2]" 2
387 1 31 VAL HA 1 40 PHE H . . 4.580 4.501 4.451 4.529 . 0 0 "[ . 1 . 2]" 2
388 1 40 PHE H 1 41 HIS H . . 4.390 4.275 4.258 4.291 . 0 0 "[ . 1 . 2]" 2
389 1 18 CYS HB2 1 41 HIS H . . 3.700 2.338 2.253 2.421 . 0 0 "[ . 1 . 2]" 2
390 1 40 PHE HB3 1 41 HIS H . . 3.210 2.906 2.862 2.934 . 0 0 "[ . 1 . 2]" 2
391 1 41 HIS H 1 41 HIS HB2 . . 3.190 2.376 2.363 2.385 . 0 0 "[ . 1 . 2]" 2
392 1 42 ASP H 1 45 ILE H . . 5.140 4.929 4.894 4.977 . 0 0 "[ . 1 . 2]" 2
393 1 25 TYR QE 1 42 ASP H . . 5.430 5.128 5.040 5.232 . 0 0 "[ . 1 . 2]" 2
394 1 45 ILE HG12 1 46 VAL H . . 5.050 4.951 4.895 4.991 . 0 0 "[ . 1 . 2]" 2
395 1 45 ILE MG 1 50 GLU H . . 5.500 5.554 5.535 5.588 0.088 12 0 "[ . 1 . 2]" 2
396 1 50 GLU HB2 1 51 GLN H . . 3.750 3.559 3.427 3.669 . 0 0 "[ . 1 . 2]" 2
397 1 51 GLN H 1 52 HIS HD2 . . 4.810 3.583 3.441 3.779 . 0 0 "[ . 1 . 2]" 2
398 1 54 SER H 1 55 CYS HA . . 5.010 4.870 4.820 4.932 . 0 0 "[ . 1 . 2]" 2
399 1 52 HIS HB2 1 54 SER H . . 3.570 2.672 2.476 2.864 . 0 0 "[ . 1 . 2]" 2
400 1 57 VAL H 1 58 CYS H . . 4.770 2.393 2.188 2.584 . 0 0 "[ . 1 . 2]" 2
401 1 59 ARG H 1 60 LYS H . . 3.630 2.788 2.624 2.960 . 0 0 "[ . 1 . 2]" 2
402 1 62 LEU H 1 63 THR MG . . 4.990 3.481 3.205 3.700 . 0 0 "[ . 1 . 2]" 2
403 1 63 THR MG 1 64 GLY H . . 5.050 3.587 1.810 4.122 . 0 0 "[ . 1 . 2]" 2
404 1 9 GLU HA 1 10 GLU H . . 2.940 2.400 2.144 2.679 . 0 0 "[ . 1 . 2]" 2
405 1 16 LEU MD2 1 25 TYR H . . 4.800 4.777 4.666 4.822 0.022 14 0 "[ . 1 . 2]" 2
406 1 30 SER H 1 31 VAL MG1 . . 5.320 4.961 4.916 5.040 . 0 0 "[ . 1 . 2]" 2
407 1 43 SER H 1 46 VAL H . . 5.000 4.558 4.507 4.603 . 0 0 "[ . 1 . 2]" 2
408 1 22 LYS H 1 22 LYS HG2 . . 3.640 2.641 2.596 2.675 . 0 0 "[ . 1 . 2]" 2
409 1 17 GLU HB3 1 25 TYR H . . 4.270 4.230 4.146 4.278 0.008 11 0 "[ . 1 . 2]" 2
410 1 28 GLY HA3 1 29 GLU H . . 3.350 2.988 2.922 3.039 . 0 0 "[ . 1 . 2]" 2
411 1 32 ARG HB3 1 32 ARG HE . . 4.920 4.559 4.454 4.727 . 0 0 "[ . 1 . 2]" 2
412 1 32 ARG H 1 42 ASP HB3 . . 5.500 5.513 5.501 5.529 0.029 14 0 "[ . 1 . 2]" 2
413 1 18 CYS H 1 41 HIS H . . 5.350 5.141 5.067 5.200 . 0 0 "[ . 1 . 2]" 2
414 1 18 CYS H 1 21 CYS H . . 5.430 5.427 5.408 5.441 0.011 6 0 "[ . 1 . 2]" 2
415 1 18 CYS HA 1 20 VAL H . . 4.370 3.863 3.850 3.903 . 0 0 "[ . 1 . 2]" 2
416 1 21 CYS H 1 22 LYS HG3 . . 5.500 5.533 5.519 5.545 0.045 6 0 "[ . 1 . 2]" 2
417 1 22 LYS HG2 1 23 GLU H . . 4.880 4.731 4.719 4.740 . 0 0 "[ . 1 . 2]" 2
418 1 12 VAL HB 1 13 GLY H . . 4.300 4.050 3.790 4.247 . 0 0 "[ . 1 . 2]" 2
419 1 12 VAL MG1 1 13 GLY H . . 3.960 2.080 1.796 2.351 . 0 0 "[ . 1 . 2]" 2
420 1 13 GLY H 1 16 LEU MD2 . . 4.070 2.344 1.879 2.795 . 0 0 "[ . 1 . 2]" 2
421 1 14 SER H 1 15 GLY H . . 4.310 4.113 2.688 4.269 . 0 0 "[ . 1 . 2]" 2
422 1 15 GLY H 1 16 LEU HG . . 4.990 4.023 3.658 4.116 . 0 0 "[ . 1 . 2]" 2
423 1 15 GLY H 1 16 LEU MD1 . . 4.880 4.067 3.909 4.144 . 0 0 "[ . 1 . 2]" 2
424 1 13 GLY H 1 14 SER H . . 4.440 2.160 1.908 3.906 . 0 0 "[ . 1 . 2]" 2
425 1 30 SER H 1 42 ASP H . . 5.070 4.862 4.732 4.926 . 0 0 "[ . 1 . 2]" 2
426 1 30 SER H 1 41 HIS HD2 . . 5.500 5.512 5.409 5.536 0.036 13 0 "[ . 1 . 2]" 2
427 1 32 ARG H 1 40 PHE HA . . 5.110 4.564 4.553 4.574 . 0 0 "[ . 1 . 2]" 2
428 1 25 TYR QE 1 32 ARG H . . 5.150 4.577 4.478 4.688 . 0 0 "[ . 1 . 2]" 2
429 1 34 LEU H 1 38 HIS HB3 . . 4.970 4.785 4.748 4.811 . 0 0 "[ . 1 . 2]" 2
430 1 36 CYS HA 1 37 ASN HD21 . . 5.160 4.251 3.424 4.912 . 0 0 "[ . 1 . 2]" 2
431 1 36 CYS HA 1 37 ASN HD22 . . 5.160 3.766 3.264 4.216 . 0 0 "[ . 1 . 2]" 2
432 1 34 LEU HB2 1 39 LEU H . . 5.310 5.146 5.087 5.229 . 0 0 "[ . 1 . 2]" 2
433 1 19 PRO HD2 1 40 PHE H . . 5.370 5.179 5.143 5.214 . 0 0 "[ . 1 . 2]" 2
434 1 32 ARG HG3 1 40 PHE H . . 4.710 4.720 4.660 4.735 0.025 10 0 "[ . 1 . 2]" 2
435 1 33 GLN H 1 40 PHE H . . 5.000 4.842 4.830 4.853 . 0 0 "[ . 1 . 2]" 2
436 1 41 HIS H 1 42 ASP H . . 4.600 4.588 4.582 4.597 . 0 0 "[ . 1 . 2]" 2
437 1 45 ILE H 1 48 TRP H . . 4.710 4.674 4.647 4.713 0.003 4 0 "[ . 1 . 2]" 2
438 1 48 TRP HE1 1 52 HIS HD2 . . 4.900 4.443 4.279 4.650 . 0 0 "[ . 1 . 2]" 2
439 1 48 TRP HE1 1 52 HIS H . . 5.500 5.259 5.123 5.386 . 0 0 "[ . 1 . 2]" 2
440 1 48 TRP HE1 1 56 PRO HD2 . . 4.310 4.109 3.980 4.235 . 0 0 "[ . 1 . 2]" 2
441 1 12 VAL H 1 12 VAL MG1 . . 3.290 2.040 1.845 2.207 . 0 0 "[ . 1 . 2]" 2
442 1 11 HIS HA 1 12 VAL H . . 3.250 2.666 2.284 3.271 0.021 8 0 "[ . 1 . 2]" 2
443 1 12 VAL H 1 13 GLY H . . 4.530 2.400 1.916 3.016 . 0 0 "[ . 1 . 2]" 2
444 1 33 GLN HE21 1 37 ASN HB3 . . 5.060 4.093 4.066 4.112 . 0 0 "[ . 1 . 2]" 2
445 1 31 VAL H 1 42 ASP HB3 . . 5.500 5.086 5.019 5.135 . 0 0 "[ . 1 . 2]" 2
446 1 22 LYS HB2 1 23 GLU H . . 4.740 4.210 4.200 4.216 . 0 0 "[ . 1 . 2]" 2
447 1 10 GLU H 1 10 GLU HB2 . . 3.960 2.558 2.183 3.625 . 0 0 "[ . 1 . 2]" 2
448 1 11 HIS H 1 12 VAL H . . 4.760 2.971 1.794 3.722 . 0 0 "[ . 1 . 2]" 2
449 1 33 GLN HE22 1 39 LEU HG . . 4.960 3.826 3.805 3.839 . 0 0 "[ . 1 . 2]" 2
450 1 11 HIS HA 1 13 GLY H . . 5.270 3.466 3.067 4.028 . 0 0 "[ . 1 . 2]" 2
451 1 16 LEU H 1 16 LEU HG . . 2.970 2.240 2.148 2.303 . 0 0 "[ . 1 . 2]" 2
452 1 17 GLU H 1 24 ASP HA . . 4.400 3.917 3.837 3.971 . 0 0 "[ . 1 . 2]" 2
453 1 15 GLY H 1 17 GLU H . . 4.840 4.551 4.443 4.660 . 0 0 "[ . 1 . 2]" 2
454 1 19 PRO HD2 1 20 VAL H . . 3.590 2.647 2.646 2.648 . 0 0 "[ . 1 . 2]" 2
455 1 34 LEU HB3 1 36 CYS H . . 3.090 2.437 2.426 2.455 . 0 0 "[ . 1 . 2]" 2
456 1 34 LEU HB2 1 37 ASN H . . 4.240 4.106 4.043 4.165 . 0 0 "[ . 1 . 2]" 2
457 1 36 CYS HA 1 38 HIS H . . 4.950 4.743 4.653 4.865 . 0 0 "[ . 1 . 2]" 2
458 1 40 PHE HB2 1 41 HIS H . . 3.850 3.851 3.814 3.875 0.025 10 0 "[ . 1 . 2]" 2
459 1 19 PRO HD2 1 40 PHE HB3 . . 4.320 3.625 3.575 3.685 . 0 0 "[ . 1 . 2]" 2
460 1 40 PHE HB2 1 44 CYS HB2 . . 4.880 4.725 4.668 4.745 . 0 0 "[ . 1 . 2]" 2
461 1 40 PHE HB3 1 44 CYS HB2 . . 4.170 3.500 3.449 3.524 . 0 0 "[ . 1 . 2]" 2
462 1 40 PHE HB3 1 45 ILE HB . . 3.330 2.553 2.522 2.575 . 0 0 "[ . 1 . 2]" 2
463 1 40 PHE HB2 1 45 ILE HB . . 3.340 1.946 1.931 1.957 . 0 0 "[ . 1 . 2]" 2
464 1 40 PHE HB3 1 45 ILE MG . . 4.170 4.124 4.105 4.141 . 0 0 "[ . 1 . 2]" 2
465 1 20 VAL MG2 1 40 PHE HB3 . . 3.880 2.363 2.328 2.481 . 0 0 "[ . 1 . 2]" 2
466 1 40 PHE HB2 1 45 ILE HG12 . . 3.990 2.651 2.592 2.744 . 0 0 "[ . 1 . 2]" 2
467 1 34 LEU HB2 1 40 PHE QE . . 4.250 2.504 2.454 2.561 . 0 0 "[ . 1 . 2]" 2
468 1 33 GLN HG3 1 39 LEU QB . . 4.460 4.444 4.424 4.463 0.003 12 0 "[ . 1 . 2]" 2
469 1 39 LEU QB 1 39 LEU MD1 . . 2.810 1.938 1.926 1.956 . 0 0 "[ . 1 . 2]" 2
470 1 59 ARG H 1 59 ARG HD2 . . 4.440 3.720 2.064 4.520 0.080 7 0 "[ . 1 . 2]" 2
471 1 59 ARG HA 1 59 ARG HD2 . . 4.040 3.129 2.021 4.088 0.048 14 0 "[ . 1 . 2]" 2
472 1 59 ARG HA 1 59 ARG HD3 . . 4.040 3.389 2.788 4.111 0.071 17 0 "[ . 1 . 2]" 2
473 1 32 ARG HD3 1 33 GLN H . . 5.340 5.315 5.265 5.342 0.002 2 0 "[ . 1 . 2]" 2
474 1 32 ARG HA 1 32 ARG HD2 . . 3.940 3.871 3.849 3.890 . 0 0 "[ . 1 . 2]" 2
475 1 32 ARG HD2 1 42 ASP HA . . 5.150 5.075 5.030 5.121 . 0 0 "[ . 1 . 2]" 2
476 1 32 ARG HD3 1 42 ASP HA . . 4.250 4.224 4.155 4.267 0.017 19 0 "[ . 1 . 2]" 2
477 1 32 ARG HB2 1 32 ARG HD2 . . 3.600 2.298 2.273 2.322 . 0 0 "[ . 1 . 2]" 2
478 1 32 ARG HB2 1 32 ARG HD3 . . 3.550 2.697 2.660 2.740 . 0 0 "[ . 1 . 2]" 2
479 1 32 ARG HB3 1 32 ARG HD2 . . 3.580 3.389 3.353 3.419 . 0 0 "[ . 1 . 2]" 2
480 1 32 ARG HB3 1 32 ARG HD3 . . 3.520 2.862 2.848 2.875 . 0 0 "[ . 1 . 2]" 2
481 1 32 ARG HD3 1 45 ILE MG . . 3.200 1.923 1.915 1.950 . 0 0 "[ . 1 . 2]" 2
482 1 32 ARG HD2 1 34 LEU MD2 . . 4.650 4.487 4.432 4.546 . 0 0 "[ . 1 . 2]" 2
483 1 32 ARG HD3 1 34 LEU MD2 . . 4.140 4.137 4.104 4.156 0.016 12 0 "[ . 1 . 2]" 2
484 1 16 LEU H 1 16 LEU HB3 . . 3.570 3.282 3.195 3.336 . 0 0 "[ . 1 . 2]" 2
485 1 16 LEU HB2 1 17 GLU H . . 4.480 4.064 4.037 4.090 . 0 0 "[ . 1 . 2]" 2
486 1 16 LEU HB2 1 25 TYR QD . . 4.300 2.684 2.586 2.788 . 0 0 "[ . 1 . 2]" 2
487 1 16 LEU HB2 1 25 TYR QE . . 4.260 2.137 1.992 2.379 . 0 0 "[ . 1 . 2]" 2
488 1 60 LYS HA 1 60 LYS QE . . 4.240 3.187 1.964 4.069 . 0 0 "[ . 1 . 2]" 2
489 1 60 LYS QE 1 60 LYS HG2 . . 3.830 2.594 2.058 3.405 . 0 0 "[ . 1 . 2]" 2
490 1 22 LYS HE3 1 22 LYS HG3 . . 3.930 2.399 2.367 2.418 . 0 0 "[ . 1 . 2]" 2
491 1 22 LYS HE2 1 22 LYS HG3 . . 3.930 3.423 3.379 3.442 . 0 0 "[ . 1 . 2]" 2
492 1 22 LYS HE3 1 22 LYS HG2 . . 4.000 2.680 2.658 2.733 . 0 0 "[ . 1 . 2]" 2
493 1 22 LYS HE2 1 22 LYS HG2 . . 4.000 2.776 2.740 2.814 . 0 0 "[ . 1 . 2]" 2
494 1 42 ASP H 1 42 ASP HB3 . . 3.220 2.476 2.457 2.504 . 0 0 "[ . 1 . 2]" 2
495 1 42 ASP H 1 42 ASP HB2 . . 3.080 2.586 2.559 2.608 . 0 0 "[ . 1 . 2]" 2
496 1 31 VAL HA 1 42 ASP HB3 . . 5.090 4.336 4.275 4.398 . 0 0 "[ . 1 . 2]" 2
497 1 41 HIS HA 1 42 ASP HB3 . . 5.500 4.628 4.603 4.660 . 0 0 "[ . 1 . 2]" 2
498 1 30 SER HB3 1 42 ASP HB3 . . 3.500 2.065 2.009 2.143 . 0 0 "[ . 1 . 2]" 2
499 1 30 SER HB3 1 42 ASP HB2 . . 3.510 2.895 2.791 3.003 . 0 0 "[ . 1 . 2]" 2
500 1 34 LEU H 1 34 LEU HB3 . . 3.830 3.574 3.568 3.586 . 0 0 "[ . 1 . 2]" 2
501 1 45 ILE MD 1 49 LEU H . . 3.970 3.539 3.450 3.673 . 0 0 "[ . 1 . 2]" 2
502 1 40 PHE HZ 1 45 ILE MD . . 4.670 4.472 4.417 4.530 . 0 0 "[ . 1 . 2]" 2
503 1 40 PHE QD 1 45 ILE MD . . 3.550 2.841 2.751 2.899 . 0 0 "[ . 1 . 2]" 2
504 1 45 ILE MD 1 48 TRP HD1 . . 3.140 2.424 2.315 2.575 . 0 0 "[ . 1 . 2]" 2
505 1 45 ILE HA 1 45 ILE MD . . 2.780 1.925 1.901 1.954 . 0 0 "[ . 1 . 2]" 2
506 1 45 ILE MD 1 55 CYS HA . . 3.370 3.189 3.135 3.249 . 0 0 "[ . 1 . 2]" 2
507 1 34 LEU HB2 1 35 PRO HD2 . . 3.540 3.531 3.520 3.538 . 0 0 "[ . 1 . 2]" 2
508 1 45 ILE MD 1 48 TRP QB . . 3.030 2.244 2.174 2.342 . 0 0 "[ . 1 . 2]" 2
509 1 45 ILE MD 1 56 PRO HD3 . . 3.110 2.100 1.989 2.297 . 0 0 "[ . 1 . 2]" 2
510 1 40 PHE HB2 1 45 ILE MD . . 3.950 2.613 2.428 2.711 . 0 0 "[ . 1 . 2]" 2
511 1 45 ILE HB 1 45 ILE MD . . 3.030 2.398 2.361 2.424 . 0 0 "[ . 1 . 2]" 2
512 1 62 LEU HB2 1 63 THR MG . . 4.610 4.368 3.982 4.608 . 0 0 "[ . 1 . 2]" 2
513 1 34 LEU MD1 1 45 ILE MD . . 2.820 2.469 2.410 2.526 . 0 0 "[ . 1 . 2]" 2
514 1 45 ILE MD 1 49 LEU MD2 . . 3.030 2.233 2.153 2.340 . 0 0 "[ . 1 . 2]" 2
515 1 62 LEU HB3 1 62 LEU MD1 . . 3.610 2.449 2.310 2.539 . 0 0 "[ . 1 . 2]" 2
516 1 62 LEU HB3 1 62 LEU MD2 . . 3.580 2.234 2.167 2.329 . 0 0 "[ . 1 . 2]" 2
517 1 45 ILE MD 1 56 PRO HG3 . . 3.340 2.237 2.104 2.436 . 0 0 "[ . 1 . 2]" 2
518 1 49 LEU H 1 49 LEU HB2 . . 3.070 2.754 2.740 2.765 . 0 0 "[ . 1 . 2]" 2
519 1 24 ASP H 1 24 ASP QB . . 3.460 3.300 2.996 3.456 . 0 0 "[ . 1 . 2]" 2
520 1 49 LEU H 1 49 LEU HB3 . . 3.640 3.563 3.560 3.566 . 0 0 "[ . 1 . 2]" 2
521 1 49 LEU HB3 1 50 GLU H . . 4.270 3.983 3.921 4.036 . 0 0 "[ . 1 . 2]" 2
522 1 17 GLU HA 1 24 ASP QB . . 4.160 3.841 3.744 4.093 . 0 0 "[ . 1 . 2]" 2
523 1 46 VAL HA 1 49 LEU HB2 . . 3.890 3.887 3.859 3.916 0.026 18 0 "[ . 1 . 2]" 2
524 1 23 GLU HB3 1 24 ASP QB . . 4.500 4.045 3.460 4.350 . 0 0 "[ . 1 . 2]" 2
525 1 48 TRP HD1 1 49 LEU H . . 4.230 3.061 2.904 3.178 . 0 0 "[ . 1 . 2]" 2
526 1 46 VAL HA 1 49 LEU H . . 4.130 4.078 4.046 4.119 . 0 0 "[ . 1 . 2]" 2
527 1 46 VAL HA 1 49 LEU HG . . 3.880 3.743 3.701 3.769 . 0 0 "[ . 1 . 2]" 2
528 1 46 VAL HA 1 46 VAL MG1 . . 2.890 2.659 2.648 2.670 . 0 0 "[ . 1 . 2]" 2
529 1 48 TRP HD1 1 49 LEU HA . . 3.880 3.120 2.976 3.223 . 0 0 "[ . 1 . 2]" 2
530 1 48 TRP HD1 1 55 CYS HA . . 4.230 4.016 3.825 4.200 . 0 0 "[ . 1 . 2]" 2
531 1 48 TRP HD1 1 56 PRO HD2 . . 4.390 4.275 4.170 4.390 . 0 0 "[ . 1 . 2]" 2
532 1 48 TRP QB 1 48 TRP HD1 . . 3.400 2.574 2.560 2.594 . 0 0 "[ . 1 . 2]" 2
533 1 48 TRP HD1 1 49 LEU HG . . 3.640 3.368 3.154 3.508 . 0 0 "[ . 1 . 2]" 2
534 1 48 TRP HD1 1 56 PRO HB3 . . 4.200 4.050 3.920 4.205 0.005 18 0 "[ . 1 . 2]" 2
535 1 48 TRP HD1 1 56 PRO HG3 . . 4.240 3.922 3.857 4.000 . 0 0 "[ . 1 . 2]" 2
536 1 45 ILE HB 1 49 LEU HG . . 4.770 4.688 4.665 4.719 . 0 0 "[ . 1 . 2]" 2
537 1 45 ILE HB 1 49 LEU MD2 . . 4.590 4.573 4.540 4.594 0.004 20 0 "[ . 1 . 2]" 2
538 1 25 TYR H 1 25 TYR HB3 . . 3.630 3.628 3.613 3.643 0.013 20 0 "[ . 1 . 2]" 2
539 1 25 TYR HB2 1 31 VAL MG2 . . 5.070 4.944 4.824 5.030 . 0 0 "[ . 1 . 2]" 2
540 1 54 SER HB3 1 55 CYS H . . 3.940 2.196 2.097 2.318 . 0 0 "[ . 1 . 2]" 2
541 1 54 SER HB2 1 55 CYS H . . 3.980 3.079 2.897 3.258 . 0 0 "[ . 1 . 2]" 2
542 1 54 SER H 1 54 SER HB3 . . 4.080 3.973 3.909 4.019 . 0 0 "[ . 1 . 2]" 2
543 1 54 SER HB3 1 61 SER HA . . 3.900 3.852 3.592 3.913 0.013 19 0 "[ . 1 . 2]" 2
544 1 54 SER HB3 1 59 ARG HA . . 3.800 2.626 2.343 2.944 . 0 0 "[ . 1 . 2]" 2
545 1 54 SER HB2 1 59 ARG HA . . 3.730 3.156 2.959 3.275 . 0 0 "[ . 1 . 2]" 2
546 1 54 SER HB3 1 55 CYS QB . . 4.420 4.043 3.986 4.144 . 0 0 "[ . 1 . 2]" 2
547 1 35 PRO HA 1 37 ASN H . . 4.030 3.611 3.602 3.622 . 0 0 "[ . 1 . 2]" 2
548 1 29 GLU H 1 29 GLU HG3 . . 4.190 3.126 2.730 3.893 . 0 0 "[ . 1 . 2]" 2
549 1 29 GLU HA 1 29 GLU HG3 . . 3.840 2.986 2.335 3.630 . 0 0 "[ . 1 . 2]" 2
550 1 29 GLU H 1 29 GLU HG2 . . 4.190 3.657 2.894 4.090 . 0 0 "[ . 1 . 2]" 2
551 1 47 PRO HA 1 50 GLU H . . 3.940 3.874 3.821 3.953 0.013 20 0 "[ . 1 . 2]" 2
552 1 29 GLU HA 1 29 GLU HG2 . . 3.840 2.500 2.269 3.599 . 0 0 "[ . 1 . 2]" 2
553 1 26 ALA MB 1 29 GLU HG2 . . 3.620 2.972 2.268 3.347 . 0 0 "[ . 1 . 2]" 2
554 1 20 VAL HA 1 22 LYS HE2 . . 5.500 4.863 4.759 5.009 . 0 0 "[ . 1 . 2]" 2
555 1 20 VAL HA 1 44 CYS HB3 . . 5.500 4.467 4.447 4.555 . 0 0 "[ . 1 . 2]" 2
556 1 37 ASN H 1 37 ASN HB3 . . 3.960 3.971 3.959 3.984 0.024 16 0 "[ . 1 . 2]" 2
557 1 37 ASN H 1 37 ASN HB2 . . 3.960 3.877 3.859 3.884 . 0 0 "[ . 1 . 2]" 2
558 1 50 GLU H 1 50 GLU HG2 . . 4.090 3.255 2.450 3.706 . 0 0 "[ . 1 . 2]" 2
559 1 50 GLU H 1 50 GLU HG3 . . 4.090 3.137 2.568 4.032 . 0 0 "[ . 1 . 2]" 2
560 1 50 GLU HA 1 50 GLU HG2 . . 3.720 2.651 2.295 3.711 . 0 0 "[ . 1 . 2]" 2
561 1 48 TRP HZ2 1 56 PRO HA . . 3.620 2.239 2.043 2.441 . 0 0 "[ . 1 . 2]" 2
562 1 23 GLU HG3 1 24 ASP H . . 4.090 4.137 4.132 4.146 0.056 8 0 "[ . 1 . 2]" 2
563 1 23 GLU HG2 1 24 ASP H . . 4.520 4.288 4.282 4.297 . 0 0 "[ . 1 . 2]" 2
564 1 23 GLU HG2 1 41 HIS HE1 . . 4.970 4.974 4.958 4.986 0.016 1 0 "[ . 1 . 2]" 2
565 1 23 GLU HA 1 23 GLU HG3 . . 3.860 3.746 3.741 3.750 . 0 0 "[ . 1 . 2]" 2
566 1 23 GLU HA 1 23 GLU HG2 . . 3.450 2.651 2.639 2.661 . 0 0 "[ . 1 . 2]" 2
567 1 19 PRO HA 1 22 LYS HA . . 4.260 3.119 3.094 3.158 . 0 0 "[ . 1 . 2]" 2
568 1 19 PRO HA 1 22 LYS HD3 . . 3.480 2.162 2.053 2.223 . 0 0 "[ . 1 . 2]" 2
569 1 19 PRO HA 1 57 VAL MG2 . . 4.560 4.425 4.413 4.439 . 0 0 "[ . 1 . 2]" 2
570 1 61 SER H 1 61 SER HB3 . . 3.920 2.796 2.349 3.080 . 0 0 "[ . 1 . 2]" 2
571 1 61 SER H 1 61 SER HB2 . . 3.920 2.384 2.179 2.850 . 0 0 "[ . 1 . 2]" 2
572 1 61 SER HB3 1 62 LEU H . . 4.610 4.279 4.088 4.516 . 0 0 "[ . 1 . 2]" 2
573 1 61 SER HB2 1 62 LEU H . . 4.610 4.419 4.115 4.598 . 0 0 "[ . 1 . 2]" 2
574 1 17 GLU H 1 17 GLU HG2 . . 3.900 2.287 2.154 2.509 . 0 0 "[ . 1 . 2]" 2
575 1 60 LYS HA 1 61 SER HB2 . . 5.080 4.499 4.286 5.013 . 0 0 "[ . 1 . 2]" 2
576 1 17 GLU HA 1 17 GLU HG2 . . 3.950 3.679 3.618 3.907 . 0 0 "[ . 1 . 2]" 2
577 1 17 GLU HA 1 17 GLU HG3 . . 3.950 3.832 3.624 3.916 . 0 0 "[ . 1 . 2]" 2
578 1 48 TRP HA 1 48 TRP HE3 . . 3.460 2.913 2.837 3.018 . 0 0 "[ . 1 . 2]" 2
579 1 48 TRP QB 1 48 TRP HE3 . . 3.250 2.623 2.584 2.652 . 0 0 "[ . 1 . 2]" 2
580 1 51 GLN HB2 1 52 HIS HD2 . . 4.170 2.591 2.341 2.838 . 0 0 "[ . 1 . 2]" 2
581 1 30 SER H 1 30 SER HB3 . . 3.490 2.600 2.520 2.664 . 0 0 "[ . 1 . 2]" 2
582 1 30 SER HB2 1 31 VAL H . . 4.510 4.487 4.418 4.520 0.010 5 0 "[ . 1 . 2]" 2
583 1 31 VAL H 1 31 VAL HB . . 3.540 3.539 3.529 3.557 0.017 18 0 "[ . 1 . 2]" 2
584 1 31 VAL HB 1 32 ARG HA . . 4.530 4.234 4.219 4.245 . 0 0 "[ . 1 . 2]" 2
585 1 30 SER HA 1 30 SER HB2 . . 3.010 2.501 2.456 2.535 . 0 0 "[ . 1 . 2]" 2
586 1 29 GLU HA 1 30 SER HB3 . . 4.940 4.695 4.601 4.763 . 0 0 "[ . 1 . 2]" 2
587 1 29 GLU HA 1 30 SER HB2 . . 4.620 4.505 4.444 4.597 . 0 0 "[ . 1 . 2]" 2
588 1 30 SER HB2 1 42 ASP HB2 . . 4.330 4.294 4.245 4.326 . 0 0 "[ . 1 . 2]" 2
589 1 31 VAL HB 1 39 LEU QB . . 3.860 3.360 3.292 3.412 . 0 0 "[ . 1 . 2]" 2
590 1 43 SER H 1 43 SER HB2 . . 3.340 3.080 2.973 3.170 . 0 0 "[ . 1 . 2]" 2
591 1 43 SER HB2 1 44 CYS H . . 4.550 4.363 4.294 4.424 . 0 0 "[ . 1 . 2]" 2
592 1 43 SER HA 1 43 SER HB2 . . 2.770 2.405 2.372 2.453 . 0 0 "[ . 1 . 2]" 2
593 1 12 VAL HA 1 12 VAL MG2 . . 2.870 2.317 2.243 2.447 . 0 0 "[ . 1 . 2]" 2
594 1 32 ARG H 1 32 ARG HB2 . . 3.560 3.444 3.430 3.452 . 0 0 "[ . 1 . 2]" 2
595 1 32 ARG H 1 32 ARG HB3 . . 3.510 2.463 2.451 2.475 . 0 0 "[ . 1 . 2]" 2
596 1 32 ARG HB3 1 33 GLN H . . 4.500 4.312 4.279 4.331 . 0 0 "[ . 1 . 2]" 2
597 1 33 GLN HG2 1 34 LEU H . . 3.890 3.206 3.169 3.249 . 0 0 "[ . 1 . 2]" 2
598 1 33 GLN HG2 1 37 ASN H . . 4.330 4.292 4.278 4.307 . 0 0 "[ . 1 . 2]" 2
599 1 33 GLN HA 1 33 GLN HG2 . . 3.690 3.410 3.403 3.415 . 0 0 "[ . 1 . 2]" 2
600 1 33 GLN HA 1 33 GLN HG3 . . 3.540 2.319 2.312 2.327 . 0 0 "[ . 1 . 2]" 2
601 1 32 ARG HB3 1 40 PHE HB2 . . 4.350 3.850 3.828 3.867 . 0 0 "[ . 1 . 2]" 2
602 1 51 GLN H 1 51 GLN HG3 . . 4.210 3.804 3.512 4.218 0.008 9 0 "[ . 1 . 2]" 2
603 1 51 GLN H 1 51 GLN HG2 . . 4.210 3.922 3.430 4.154 . 0 0 "[ . 1 . 2]" 2
604 1 38 HIS HA 1 38 HIS HD2 . . 3.110 2.410 2.370 2.446 . 0 0 "[ . 1 . 2]" 2
605 1 67 THR HA 1 67 THR MG . . 3.240 2.562 2.176 3.206 . 0 0 "[ . 1 . 2]" 2
606 1 19 PRO HB2 1 40 PHE QD . . 4.370 4.197 4.177 4.231 . 0 0 "[ . 1 . 2]" 2
607 1 19 PRO HB3 1 40 PHE QE . . 3.900 3.914 3.897 3.928 0.028 1 0 "[ . 1 . 2]" 2
608 1 19 PRO HB2 1 40 PHE QE . . 3.520 3.235 3.218 3.259 . 0 0 "[ . 1 . 2]" 2
609 1 38 HIS HB3 1 38 HIS HD2 . . 3.730 3.249 3.222 3.273 . 0 0 "[ . 1 . 2]" 2
610 1 38 HIS HD2 1 57 VAL MG1 . . 4.210 4.175 3.988 4.234 0.024 20 0 "[ . 1 . 2]" 2
611 1 60 LYS H 1 60 LYS HB3 . . 3.550 3.248 2.411 3.507 . 0 0 "[ . 1 . 2]" 2
612 1 55 CYS QB 1 60 LYS HB3 . . 4.370 4.060 3.256 4.412 0.042 15 0 "[ . 1 . 2]" 2
613 1 36 CYS HB3 1 60 LYS HB3 . . 4.060 2.707 2.175 3.032 . 0 0 "[ . 1 . 2]" 2
614 1 41 HIS HD2 1 42 ASP H . . 4.220 3.838 3.808 3.853 . 0 0 "[ . 1 . 2]" 2
615 1 57 VAL H 1 57 VAL HB . . 3.360 2.589 2.564 2.619 . 0 0 "[ . 1 . 2]" 2
616 1 57 VAL HB 1 59 ARG H . . 4.230 4.020 3.913 4.187 . 0 0 "[ . 1 . 2]" 2
617 1 40 PHE HZ 1 57 VAL HB . . 4.330 2.818 2.736 2.865 . 0 0 "[ . 1 . 2]" 2
618 1 25 TYR QD 1 41 HIS HD2 . . 3.640 2.293 2.195 2.334 . 0 0 "[ . 1 . 2]" 2
619 1 41 HIS HA 1 41 HIS HD2 . . 3.380 2.411 2.393 2.436 . 0 0 "[ . 1 . 2]" 2
620 1 25 TYR HA 1 41 HIS HD2 . . 4.130 3.468 3.431 3.494 . 0 0 "[ . 1 . 2]" 2
621 1 41 HIS HB3 1 41 HIS HD2 . . 3.650 3.234 3.216 3.248 . 0 0 "[ . 1 . 2]" 2
622 1 29 GLU HB3 1 41 HIS HD2 . . 3.380 2.992 2.961 3.014 . 0 0 "[ . 1 . 2]" 2
623 1 38 HIS HA 1 39 LEU QB . . 4.230 4.190 4.180 4.205 . 0 0 "[ . 1 . 2]" 2
624 1 20 VAL HB 1 44 CYS HA . . 4.660 4.454 4.429 4.478 . 0 0 "[ . 1 . 2]" 2
625 1 55 CYS QB 1 58 CYS H . . 4.080 2.790 2.579 3.033 . 0 0 "[ . 1 . 2]" 2
626 1 55 CYS H 1 55 CYS QB . . 3.230 2.283 2.261 2.299 . 0 0 "[ . 1 . 2]" 2
627 1 54 SER HA 1 55 CYS QB . . 4.330 4.246 4.210 4.268 . 0 0 "[ . 1 . 2]" 2
628 1 55 CYS QB 1 58 CYS HB3 . . 4.860 4.531 4.359 4.685 . 0 0 "[ . 1 . 2]" 2
629 1 55 CYS QB 1 62 LEU MD2 . . 3.850 3.098 2.936 3.245 . 0 0 "[ . 1 . 2]" 2
630 1 43 SER HA 1 46 VAL H . . 4.160 4.142 4.107 4.179 0.019 13 0 "[ . 1 . 2]" 2
631 1 43 SER HA 1 47 PRO HD3 . . 3.970 3.108 3.014 3.193 . 0 0 "[ . 1 . 2]" 2
632 1 43 SER HA 1 47 PRO HD2 . . 4.180 3.759 3.682 3.864 . 0 0 "[ . 1 . 2]" 2
633 1 43 SER HA 1 46 VAL HB . . 3.660 3.015 2.961 3.084 . 0 0 "[ . 1 . 2]" 2
634 1 43 SER HA 1 46 VAL MG2 . . 3.870 3.813 3.731 3.888 0.018 9 0 "[ . 1 . 2]" 2
635 1 43 SER HA 1 46 VAL MG1 . . 4.170 3.928 3.866 3.979 . 0 0 "[ . 1 . 2]" 2
636 1 18 CYS H 1 25 TYR QE . . 3.880 3.592 3.490 3.713 . 0 0 "[ . 1 . 2]" 2
637 1 17 GLU HB3 1 24 ASP HA . . 4.180 2.275 2.129 2.338 . 0 0 "[ . 1 . 2]" 2
638 1 18 CYS HB3 1 24 ASP H . . 4.320 3.714 3.654 3.820 . 0 0 "[ . 1 . 2]" 2
639 1 17 GLU HB2 1 18 CYS H . . 3.300 2.984 2.918 3.023 . 0 0 "[ . 1 . 2]" 2
640 1 18 CYS HB2 1 21 CYS H . . 4.830 4.652 4.624 4.674 . 0 0 "[ . 1 . 2]" 2
641 1 18 CYS HB2 1 41 HIS HE1 . . 3.880 3.576 3.531 3.710 . 0 0 "[ . 1 . 2]" 2
642 1 25 TYR QE 1 41 HIS HD2 . . 3.920 3.073 2.867 3.152 . 0 0 "[ . 1 . 2]" 2
643 1 18 CYS HB2 1 25 TYR QD . . 4.170 3.738 3.685 3.823 . 0 0 "[ . 1 . 2]" 2
644 1 18 CYS HB3 1 25 TYR QE . . 3.950 3.570 3.318 3.714 . 0 0 "[ . 1 . 2]" 2
645 1 18 CYS HB2 1 25 TYR QE . . 3.590 2.107 1.989 2.223 . 0 0 "[ . 1 . 2]" 2
646 1 25 TYR QE 1 40 PHE HA . . 3.780 3.088 3.044 3.215 . 0 0 "[ . 1 . 2]" 2
647 1 18 CYS HB2 1 40 PHE HA . . 4.290 3.024 2.933 3.085 . 0 0 "[ . 1 . 2]" 2
648 1 25 TYR QE 1 41 HIS HA . . 3.870 3.057 2.963 3.163 . 0 0 "[ . 1 . 2]" 2
649 1 18 CYS HA 1 25 TYR QE . . 3.750 3.348 3.274 3.428 . 0 0 "[ . 1 . 2]" 2
650 1 17 GLU HB2 1 24 ASP HA . . 4.130 2.344 2.227 2.482 . 0 0 "[ . 1 . 2]" 2
651 1 16 LEU HA 1 25 TYR QE . . 4.430 3.881 3.818 3.950 . 0 0 "[ . 1 . 2]" 2
652 1 18 CYS HB2 1 19 PRO HD3 . . 4.600 4.467 4.408 4.498 . 0 0 "[ . 1 . 2]" 2
653 1 18 CYS HB3 1 19 PRO HD3 . . 5.100 5.074 5.065 5.078 . 0 0 "[ . 1 . 2]" 2
654 1 17 GLU HA 1 18 CYS HB2 . . 5.160 4.857 4.830 4.898 . 0 0 "[ . 1 . 2]" 2
655 1 15 GLY HA2 1 17 GLU HB3 . . 4.670 4.664 4.629 4.684 0.014 7 0 "[ . 1 . 2]" 2
656 1 17 GLU HB2 1 22 LYS HA . . 3.900 3.615 3.494 3.668 . 0 0 "[ . 1 . 2]" 2
657 1 25 TYR QE 1 41 HIS HB2 . . 4.340 4.323 4.168 4.411 0.071 10 0 "[ . 1 . 2]" 2
658 1 16 LEU HB3 1 25 TYR QE . . 4.210 3.810 3.671 4.046 . 0 0 "[ . 1 . 2]" 2
659 1 25 TYR QE 1 39 LEU QB . . 3.730 2.704 2.664 2.772 . 0 0 "[ . 1 . 2]" 2
660 1 16 LEU MD2 1 25 TYR QE . . 4.390 3.483 3.326 3.771 . 0 0 "[ . 1 . 2]" 2
661 1 25 TYR QE 1 31 VAL MG1 . . 3.310 2.192 2.151 2.285 . 0 0 "[ . 1 . 2]" 2
662 1 35 PRO HB2 1 36 CYS H . . 4.090 4.023 4.016 4.034 . 0 0 "[ . 1 . 2]" 2
663 1 48 TRP HZ2 1 52 HIS HB3 . . 4.500 4.125 3.804 4.485 . 0 0 "[ . 1 . 2]" 2
664 1 36 CYS H 1 36 CYS HB2 . . 3.740 3.682 3.669 3.715 . 0 0 "[ . 1 . 2]" 2
665 1 36 CYS HA 1 36 CYS HB3 . . 2.890 2.371 2.356 2.408 . 0 0 "[ . 1 . 2]" 2
666 1 21 CYS HB3 1 23 GLU HG3 . . 4.340 4.004 3.978 4.031 . 0 0 "[ . 1 . 2]" 2
667 1 21 CYS HB2 1 23 GLU HG3 . . 4.190 2.597 2.564 2.635 . 0 0 "[ . 1 . 2]" 2
668 1 21 CYS HB2 1 23 GLU HG2 . . 3.880 2.559 2.527 2.582 . 0 0 "[ . 1 . 2]" 2
669 1 20 VAL HB 1 21 CYS HB3 . . 4.020 3.887 3.866 3.918 . 0 0 "[ . 1 . 2]" 2
670 1 36 CYS HB3 1 60 LYS HB2 . . 4.060 2.468 2.049 2.788 . 0 0 "[ . 1 . 2]" 2
671 1 36 CYS HB2 1 60 LYS HD2 . . 5.450 4.453 4.067 4.904 . 0 0 "[ . 1 . 2]" 2
672 1 36 CYS HB3 1 60 LYS HD2 . . 4.390 3.670 3.246 4.243 . 0 0 "[ . 1 . 2]" 2
673 1 33 GLN HB2 1 34 LEU H . . 4.200 4.150 4.133 4.167 . 0 0 "[ . 1 . 2]" 2
674 1 33 GLN HB3 1 34 LEU H . . 4.280 3.918 3.898 3.942 . 0 0 "[ . 1 . 2]" 2
675 1 38 HIS HB3 1 39 LEU H . . 3.490 3.348 3.323 3.370 . 0 0 "[ . 1 . 2]" 2
676 1 21 CYS H 1 21 CYS HB2 . . 3.740 3.660 3.651 3.666 . 0 0 "[ . 1 . 2]" 2
677 1 38 HIS HB2 1 40 PHE HZ . . 4.050 2.953 2.926 2.996 . 0 0 "[ . 1 . 2]" 2
678 1 38 HIS HB3 1 40 PHE HZ . . 3.880 2.020 1.996 2.040 . 0 0 "[ . 1 . 2]" 2
679 1 38 HIS HB2 1 40 PHE QE . . 3.650 2.159 2.119 2.216 . 0 0 "[ . 1 . 2]" 2
680 1 38 HIS HB3 1 40 PHE QE . . 3.630 2.020 1.988 2.049 . 0 0 "[ . 1 . 2]" 2
681 1 41 HIS HB3 1 44 CYS HB3 . . 5.150 4.961 4.945 4.982 . 0 0 "[ . 1 . 2]" 2
682 1 38 HIS HB3 1 57 VAL HB . . 4.300 4.037 3.922 4.089 . 0 0 "[ . 1 . 2]" 2
683 1 33 GLN HB2 1 39 LEU HG . . 4.150 3.016 2.964 3.059 . 0 0 "[ . 1 . 2]" 2
684 1 38 HIS HB2 1 57 VAL MG2 . . 4.620 4.577 4.512 4.631 0.011 13 0 "[ . 1 . 2]" 2
685 1 33 GLN HB2 1 39 LEU MD1 . . 3.770 3.703 3.666 3.736 . 0 0 "[ . 1 . 2]" 2
686 1 29 GLU HB2 1 30 SER H . . 5.280 4.469 4.427 4.496 . 0 0 "[ . 1 . 2]" 2
687 1 29 GLU HB2 1 41 HIS HD2 . . 4.690 4.371 4.313 4.412 . 0 0 "[ . 1 . 2]" 2
688 1 51 GLN HB3 1 52 HIS HD2 . . 4.240 3.296 2.971 3.686 . 0 0 "[ . 1 . 2]" 2
689 1 48 TRP HZ2 1 56 PRO HB3 . . 4.000 3.216 2.985 3.353 . 0 0 "[ . 1 . 2]" 2
690 1 20 VAL MG2 1 56 PRO HB3 . . 4.250 4.013 3.884 4.218 . 0 0 "[ . 1 . 2]" 2
691 1 56 PRO HB3 1 57 VAL MG2 . . 4.840 4.657 4.587 4.711 . 0 0 "[ . 1 . 2]" 2
692 1 45 ILE MD 1 56 PRO HB3 . . 4.220 3.723 3.553 3.982 . 0 0 "[ . 1 . 2]" 2
693 1 10 GLU H 1 10 GLU HB3 . . 3.960 3.260 2.351 3.658 . 0 0 "[ . 1 . 2]" 2
694 1 42 ASP HA 1 45 ILE H . . 4.300 3.791 3.766 3.839 . 0 0 "[ . 1 . 2]" 2
695 1 31 VAL HA 1 42 ASP HA . . 4.950 4.367 4.306 4.440 . 0 0 "[ . 1 . 2]" 2
696 1 41 HIS HA 1 42 ASP HA . . 5.270 4.336 4.332 4.339 . 0 0 "[ . 1 . 2]" 2
697 1 50 GLU HA 1 50 GLU HG3 . . 3.720 3.258 2.789 3.742 0.022 14 0 "[ . 1 . 2]" 2
698 1 50 GLU HA 1 50 GLU HB3 . . 2.910 2.560 2.523 2.604 . 0 0 "[ . 1 . 2]" 2
699 1 32 ARG HB2 1 42 ASP HA . . 3.690 3.588 3.561 3.627 . 0 0 "[ . 1 . 2]" 2
700 1 32 ARG HB3 1 42 ASP HA . . 3.760 3.031 3.012 3.062 . 0 0 "[ . 1 . 2]" 2
701 1 41 HIS H 1 44 CYS HB3 . . 4.480 4.355 4.257 4.422 . 0 0 "[ . 1 . 2]" 2
702 1 20 VAL H 1 44 CYS HB3 . . 4.500 4.402 4.330 4.429 . 0 0 "[ . 1 . 2]" 2
703 1 44 CYS HB3 1 45 ILE H . . 3.830 3.730 3.693 3.773 . 0 0 "[ . 1 . 2]" 2
704 1 21 CYS H 1 44 CYS HB3 . . 4.420 4.380 4.323 4.428 0.008 15 0 "[ . 1 . 2]" 2
705 1 54 SER HA 1 61 SER HA . . 4.480 4.290 4.107 4.410 . 0 0 "[ . 1 . 2]" 2
706 1 41 HIS HB2 1 44 CYS HB3 . . 3.590 3.485 3.457 3.496 . 0 0 "[ . 1 . 2]" 2
707 1 41 HIS HB2 1 44 CYS HB2 . . 3.410 1.976 1.939 1.986 . 0 0 "[ . 1 . 2]" 2
708 1 41 HIS HB3 1 44 CYS HB2 . . 3.650 3.453 3.421 3.468 . 0 0 "[ . 1 . 2]" 2
709 1 20 VAL HB 1 44 CYS HB2 . . 3.410 3.114 3.086 3.276 . 0 0 "[ . 1 . 2]" 2
710 1 20 VAL HB 1 44 CYS HB3 . . 3.090 2.103 2.078 2.186 . 0 0 "[ . 1 . 2]" 2
711 1 61 SER HA 1 62 LEU HG . . 4.270 3.752 3.665 3.833 . 0 0 "[ . 1 . 2]" 2
712 1 50 GLU HB3 1 51 GLN H . . 4.260 4.163 4.056 4.251 . 0 0 "[ . 1 . 2]" 2
713 1 47 PRO HA 1 50 GLU HB3 . . 4.640 4.280 4.168 4.420 . 0 0 "[ . 1 . 2]" 2
714 1 50 GLU HB3 1 72 PRO HA . . 5.130 4.557 3.284 5.116 . 0 0 "[ . 1 . 2]" 2
715 1 40 PHE QD 1 45 ILE HG12 . . 4.230 3.415 3.332 3.517 . 0 0 "[ . 1 . 2]" 2
716 1 45 ILE HA 1 45 ILE HG12 . . 4.010 3.555 3.544 3.576 . 0 0 "[ . 1 . 2]" 2
717 1 45 ILE HA 1 45 ILE HG13 . . 3.870 2.776 2.720 2.814 . 0 0 "[ . 1 . 2]" 2
718 1 40 PHE HB3 1 45 ILE HG13 . . 5.140 4.938 4.903 5.002 . 0 0 "[ . 1 . 2]" 2
719 1 40 PHE HB2 1 45 ILE HG13 . . 4.270 4.062 4.036 4.100 . 0 0 "[ . 1 . 2]" 2
720 1 45 ILE HG13 1 49 LEU HG . . 3.520 1.984 1.974 1.994 . 0 0 "[ . 1 . 2]" 2
721 1 45 ILE HG12 1 49 LEU HG . . 3.940 3.684 3.616 3.716 . 0 0 "[ . 1 . 2]" 2
722 1 45 ILE HG13 1 45 ILE MG . . 3.190 2.365 2.339 2.407 . 0 0 "[ . 1 . 2]" 2
723 1 45 ILE HG12 1 45 ILE MG . . 3.130 2.387 2.345 2.416 . 0 0 "[ . 1 . 2]" 2
724 1 34 LEU MD2 1 45 ILE HG12 . . 3.870 3.115 3.070 3.168 . 0 0 "[ . 1 . 2]" 2
725 1 45 ILE HG12 1 49 LEU MD2 . . 4.090 2.954 2.887 3.000 . 0 0 "[ . 1 . 2]" 2
726 1 60 LYS HA 1 60 LYS HD2 . . 4.180 3.450 2.088 4.211 0.031 7 0 "[ . 1 . 2]" 2
727 1 60 LYS HA 1 60 LYS HD3 . . 4.180 3.231 2.538 4.212 0.032 17 0 "[ . 1 . 2]" 2
728 1 55 CYS QB 1 59 ARG HA . . 3.700 2.507 2.347 2.724 . 0 0 "[ . 1 . 2]" 2
729 1 36 CYS HB2 1 60 LYS HD3 . . 5.450 4.774 3.474 5.485 0.035 7 0 "[ . 1 . 2]" 2
730 1 36 CYS HB3 1 60 LYS HD3 . . 4.390 3.915 3.193 4.396 0.006 10 0 "[ . 1 . 2]" 2
731 1 60 LYS HA 1 61 SER H . . 3.510 2.150 2.140 2.176 . 0 0 "[ . 1 . 2]" 2
732 1 21 CYS H 1 22 LYS HA . . 4.400 4.250 4.226 4.282 . 0 0 "[ . 1 . 2]" 2
733 1 36 CYS HA 1 36 CYS HB2 . . 2.940 2.545 2.500 2.563 . 0 0 "[ . 1 . 2]" 2
734 1 22 LYS HA 1 22 LYS HD3 . . 3.180 2.520 2.498 2.550 . 0 0 "[ . 1 . 2]" 2
735 1 60 LYS HA 1 60 LYS HG2 . . 4.040 2.700 2.278 3.844 . 0 0 "[ . 1 . 2]" 2
736 1 22 LYS HA 1 22 LYS HG2 . . 3.430 2.844 2.816 2.874 . 0 0 "[ . 1 . 2]" 2
737 1 45 ILE HA 1 48 TRP QB . . 3.440 2.047 2.022 2.078 . 0 0 "[ . 1 . 2]" 2
738 1 48 TRP QB 1 49 LEU HG . . 3.920 3.166 3.131 3.200 . 0 0 "[ . 1 . 2]" 2
739 1 45 ILE HG13 1 48 TRP QB . . 4.180 3.321 3.167 3.419 . 0 0 "[ . 1 . 2]" 2
740 1 48 TRP HZ2 1 56 PRO HB2 . . 4.240 4.275 4.198 4.317 0.077 8 0 "[ . 1 . 2]" 2
741 1 22 LYS H 1 22 LYS HB3 . . 4.090 4.048 4.031 4.061 . 0 0 "[ . 1 . 2]" 2
742 1 22 LYS H 1 22 LYS HD3 . . 3.920 3.818 3.771 3.873 . 0 0 "[ . 1 . 2]" 2
743 1 47 PRO HG3 1 48 TRP H . . 4.530 4.261 4.171 4.347 . 0 0 "[ . 1 . 2]" 2
744 1 54 SER HA 1 62 LEU HG . . 4.270 2.077 1.989 2.204 . 0 0 "[ . 1 . 2]" 2
745 1 44 CYS HA 1 47 PRO HG2 . . 3.380 2.976 2.913 3.036 . 0 0 "[ . 1 . 2]" 2
746 1 19 PRO HA 1 22 LYS HD2 . . 4.010 3.828 3.730 3.871 . 0 0 "[ . 1 . 2]" 2
747 1 62 LEU HA 1 62 LEU HG . . 3.610 3.214 3.180 3.280 . 0 0 "[ . 1 . 2]" 2
748 1 22 LYS HA 1 22 LYS HD2 . . 3.710 3.680 3.646 3.708 . 0 0 "[ . 1 . 2]" 2
749 1 22 LYS HB2 1 22 LYS HD2 . . 3.640 3.520 3.506 3.531 . 0 0 "[ . 1 . 2]" 2
750 1 22 LYS HB3 1 22 LYS HD2 . . 3.640 2.389 2.361 2.406 . 0 0 "[ . 1 . 2]" 2
751 1 46 VAL MG1 1 47 PRO HG3 . . 3.860 3.773 3.753 3.842 . 0 0 "[ . 1 . 2]" 2
752 1 27 LEU HA 1 29 GLU H . . 4.500 4.372 4.238 4.456 . 0 0 "[ . 1 . 2]" 2
753 1 34 LEU HG 1 40 PHE QE . . 3.570 2.628 2.572 2.707 . 0 0 "[ . 1 . 2]" 2
754 1 33 GLN HA 1 34 LEU HG . . 4.340 4.255 4.171 4.286 . 0 0 "[ . 1 . 2]" 2
755 1 26 ALA HA 1 27 LEU HA . . 4.330 4.336 4.309 4.346 0.016 17 0 "[ . 1 . 2]" 2
756 1 27 LEU HA 1 28 GLY HA2 . . 4.760 4.688 4.668 4.719 . 0 0 "[ . 1 . 2]" 2
757 1 9 GLU HA 1 9 GLU QG . . 3.470 2.482 2.197 2.868 . 0 0 "[ . 1 . 2]" 2
758 1 10 GLU HA 1 11 HIS HB2 . . 5.500 4.622 4.037 5.436 . 0 0 "[ . 1 . 2]" 2
759 1 10 GLU HA 1 11 HIS HB3 . . 5.500 5.190 4.894 5.538 0.038 3 0 "[ . 1 . 2]" 2
760 1 27 LEU HA 1 27 LEU HG . . 3.290 2.800 2.539 3.102 . 0 0 "[ . 1 . 2]" 2
761 1 35 PRO HG3 1 62 LEU MD2 . . 3.850 2.097 2.023 2.300 . 0 0 "[ . 1 . 2]" 2
762 1 27 LEU HA 1 27 LEU MD2 . . 4.160 2.702 1.987 3.602 . 0 0 "[ . 1 . 2]" 2
763 1 35 PRO HG3 1 62 LEU HA . . 3.440 3.143 2.872 3.280 . 0 0 "[ . 1 . 2]" 2
764 1 62 LEU HA 1 62 LEU HB3 . . 2.890 2.378 2.360 2.407 . 0 0 "[ . 1 . 2]" 2
765 1 35 PRO HG3 1 62 LEU HB3 . . 4.260 3.296 3.138 3.469 . 0 0 "[ . 1 . 2]" 2
766 1 40 PHE HA 1 40 PHE QD . . 3.510 3.175 3.147 3.191 . 0 0 "[ . 1 . 2]" 2
767 1 19 PRO HD2 1 40 PHE HA . . 3.710 2.647 2.624 2.669 . 0 0 "[ . 1 . 2]" 2
768 1 40 PHE HA 1 45 ILE HB . . 4.460 4.468 4.448 4.487 0.027 6 0 "[ . 1 . 2]" 2
769 1 19 PRO HG2 1 40 PHE QD . . 3.940 1.971 1.962 1.989 . 0 0 "[ . 1 . 2]" 2
770 1 19 PRO HG3 1 40 PHE QE . . 4.010 2.165 2.119 2.198 . 0 0 "[ . 1 . 2]" 2
771 1 19 PRO HG2 1 40 PHE QE . . 3.620 1.955 1.947 1.963 . 0 0 "[ . 1 . 2]" 2
772 1 19 PRO HG2 1 20 VAL HA . . 4.890 4.099 4.086 4.108 . 0 0 "[ . 1 . 2]" 2
773 1 32 ARG H 1 32 ARG HG3 . . 4.460 4.355 4.332 4.366 . 0 0 "[ . 1 . 2]" 2
774 1 32 ARG HG2 1 33 GLN H . . 3.970 3.905 3.824 3.971 0.001 1 0 "[ . 1 . 2]" 2
775 1 39 LEU HG 1 40 PHE H . . 4.540 4.396 4.377 4.409 . 0 0 "[ . 1 . 2]" 2
776 1 39 LEU H 1 39 LEU HG . . 3.900 3.237 3.207 3.264 . 0 0 "[ . 1 . 2]" 2
777 1 33 GLN HE21 1 37 ASN HA . . 3.540 2.631 2.604 2.667 . 0 0 "[ . 1 . 2]" 2
778 1 39 LEU HA 1 39 LEU HG . . 3.780 2.565 2.561 2.571 . 0 0 "[ . 1 . 2]" 2
779 1 33 GLN HG2 1 37 ASN HA . . 3.890 3.909 3.890 3.927 0.037 7 0 "[ . 1 . 2]" 2
780 1 65 GLN HA 1 65 GLN QG . . 3.570 2.528 2.178 3.016 . 0 0 "[ . 1 . 2]" 2
781 1 32 ARG HA 1 32 ARG HG3 . . 3.530 2.827 2.821 2.847 . 0 0 "[ . 1 . 2]" 2
782 1 32 ARG HA 1 32 ARG HG2 . . 3.890 3.779 3.768 3.796 . 0 0 "[ . 1 . 2]" 2
783 1 74 LEU HA 1 74 LEU HG . . 4.010 3.101 2.276 3.729 . 0 0 "[ . 1 . 2]" 2
784 1 49 LEU HA 1 49 LEU HG . . 4.160 3.352 3.324 3.376 . 0 0 "[ . 1 . 2]" 2
785 1 45 ILE MG 1 49 LEU HG . . 4.190 2.909 2.863 2.949 . 0 0 "[ . 1 . 2]" 2
786 1 49 LEU H 1 49 LEU MD1 . . 3.790 3.548 3.527 3.570 . 0 0 "[ . 1 . 2]" 2
787 1 16 LEU HA 1 17 GLU H . . 3.280 3.294 3.284 3.310 0.030 8 0 "[ . 1 . 2]" 2
788 1 48 TRP HD1 1 49 LEU MD1 . . 4.610 4.360 4.243 4.456 . 0 0 "[ . 1 . 2]" 2
789 1 17 GLU HA 1 24 ASP HA . . 2.860 1.997 1.979 2.030 . 0 0 "[ . 1 . 2]" 2
790 1 49 LEU HA 1 49 LEU MD1 . . 4.140 3.899 3.885 3.909 . 0 0 "[ . 1 . 2]" 2
791 1 17 GLU HA 1 18 CYS HB3 . . 4.520 4.459 4.427 4.476 . 0 0 "[ . 1 . 2]" 2
792 1 49 LEU HB2 1 49 LEU MD1 . . 3.060 2.392 2.364 2.416 . 0 0 "[ . 1 . 2]" 2
793 1 45 ILE HG13 1 49 LEU MD1 . . 3.300 2.421 2.301 2.540 . 0 0 "[ . 1 . 2]" 2
794 1 45 ILE MG 1 49 LEU MD1 . . 3.150 2.542 2.406 2.667 . 0 0 "[ . 1 . 2]" 2
795 1 16 LEU HA 1 16 LEU MD1 . . 3.590 3.452 3.432 3.483 . 0 0 "[ . 1 . 2]" 2
796 1 45 ILE MD 1 49 LEU MD1 . . 3.690 3.604 3.530 3.694 0.004 8 0 "[ . 1 . 2]" 2
797 1 60 LYS HA 1 60 LYS HG3 . . 4.040 3.363 2.572 3.627 . 0 0 "[ . 1 . 2]" 2
798 1 60 LYS QE 1 60 LYS HG3 . . 3.830 2.667 2.075 3.476 . 0 0 "[ . 1 . 2]" 2
799 1 40 PHE QE 1 56 PRO HG3 . . 4.050 3.521 3.485 3.607 . 0 0 "[ . 1 . 2]" 2
800 1 55 CYS HA 1 56 PRO HG3 . . 4.340 4.317 4.315 4.321 . 0 0 "[ . 1 . 2]" 2
801 1 33 GLN HA 1 39 LEU HG . . 4.110 2.704 2.684 2.730 . 0 0 "[ . 1 . 2]" 2
802 1 56 PRO HG2 1 57 VAL MG2 . . 3.800 2.684 2.622 2.736 . 0 0 "[ . 1 . 2]" 2
803 1 56 PRO HG3 1 57 VAL MG2 . . 4.310 4.219 4.161 4.255 . 0 0 "[ . 1 . 2]" 2
804 1 33 GLN HA 1 39 LEU MD1 . . 4.390 4.190 4.177 4.209 . 0 0 "[ . 1 . 2]" 2
805 1 62 LEU H 1 62 LEU MD1 . . 3.820 3.595 3.514 3.786 . 0 0 "[ . 1 . 2]" 2
806 1 34 LEU MD1 1 38 HIS H . . 4.580 4.307 4.253 4.386 . 0 0 "[ . 1 . 2]" 2
807 1 34 LEU MD1 1 40 PHE HZ . . 3.950 3.095 2.992 3.185 . 0 0 "[ . 1 . 2]" 2
808 1 54 SER H 1 62 LEU MD1 . . 4.290 3.317 3.162 3.531 . 0 0 "[ . 1 . 2]" 2
809 1 34 LEU MD1 1 40 PHE QD . . 3.430 3.344 3.250 3.392 . 0 0 "[ . 1 . 2]" 2
810 1 34 LEU MD1 1 40 PHE QE . . 3.030 2.271 2.131 2.364 . 0 0 "[ . 1 . 2]" 2
811 1 54 SER HA 1 62 LEU MD1 . . 3.830 2.113 1.930 2.492 . 0 0 "[ . 1 . 2]" 2
812 1 49 LEU HA 1 62 LEU MD1 . . 4.160 4.046 3.938 4.136 . 0 0 "[ . 1 . 2]" 2
813 1 34 LEU MD1 1 55 CYS HA . . 3.170 2.206 2.095 2.305 . 0 0 "[ . 1 . 2]" 2
814 1 55 CYS HA 1 62 LEU MD1 . . 4.430 3.733 3.482 4.095 . 0 0 "[ . 1 . 2]" 2
815 1 62 LEU HA 1 62 LEU MD1 . . 4.700 3.943 3.909 3.972 . 0 0 "[ . 1 . 2]" 2
816 1 35 PRO HD3 1 62 LEU MD1 . . 4.220 4.114 3.931 4.222 0.002 19 0 "[ . 1 . 2]" 2
817 1 34 LEU MD1 1 35 PRO HD3 . . 4.540 4.457 4.407 4.595 0.055 18 0 "[ . 1 . 2]" 2
818 1 34 LEU MD1 1 35 PRO HD2 . . 3.810 3.151 3.099 3.305 . 0 0 "[ . 1 . 2]" 2
819 1 35 PRO HD2 1 62 LEU MD1 . . 3.980 3.624 3.434 3.745 . 0 0 "[ . 1 . 2]" 2
820 1 34 LEU MD1 1 38 HIS HB2 . . 3.990 2.782 2.671 2.904 . 0 0 "[ . 1 . 2]" 2
821 1 34 LEU MD1 1 55 CYS QB . . 3.070 2.030 1.956 2.101 . 0 0 "[ . 1 . 2]" 2
822 1 55 CYS QB 1 62 LEU MD1 . . 4.550 3.841 3.578 4.152 . 0 0 "[ . 1 . 2]" 2
823 1 34 LEU MD1 1 38 HIS HB3 . . 4.340 3.527 3.412 3.612 . 0 0 "[ . 1 . 2]" 2
824 1 34 LEU HB2 1 34 LEU MD1 . . 3.080 2.389 2.326 2.409 . 0 0 "[ . 1 . 2]" 2
825 1 34 LEU HG 1 62 LEU MD1 . . 5.320 4.654 4.539 4.716 . 0 0 "[ . 1 . 2]" 2
826 1 35 PRO HG2 1 62 LEU MD1 . . 5.500 4.494 4.327 4.576 . 0 0 "[ . 1 . 2]" 2
827 1 49 LEU HB3 1 62 LEU MD1 . . 3.870 3.290 3.192 3.395 . 0 0 "[ . 1 . 2]" 2
828 1 34 LEU MD1 1 62 LEU HG . . 4.480 4.219 4.094 4.329 . 0 0 "[ . 1 . 2]" 2
829 1 62 LEU HB2 1 62 LEU MD1 . . 3.010 2.233 2.140 2.352 . 0 0 "[ . 1 . 2]" 2
830 1 16 LEU H 1 16 LEU MD2 . . 4.100 3.791 3.739 3.861 . 0 0 "[ . 1 . 2]" 2
831 1 25 TYR QE 1 39 LEU MD1 . . 3.750 2.936 2.891 3.007 . 0 0 "[ . 1 . 2]" 2
832 1 39 LEU HA 1 39 LEU MD1 . . 4.030 3.820 3.818 3.824 . 0 0 "[ . 1 . 2]" 2
833 1 16 LEU HA 1 16 LEU MD2 . . 4.250 4.098 4.092 4.103 . 0 0 "[ . 1 . 2]" 2
834 1 33 GLN HG2 1 39 LEU MD1 . . 4.950 4.914 4.882 4.955 0.005 11 0 "[ . 1 . 2]" 2
835 1 23 GLU H 1 41 HIS HE1 . . 3.700 3.577 3.526 3.625 . 0 0 "[ . 1 . 2]" 2
836 1 39 LEU MD1 1 40 PHE H . . 4.940 4.684 4.647 4.710 . 0 0 "[ . 1 . 2]" 2
837 1 18 CYS H 1 41 HIS HE1 . . 3.800 3.380 3.336 3.436 . 0 0 "[ . 1 . 2]" 2
838 1 25 TYR HA 1 41 HIS HE1 . . 4.500 4.251 4.214 4.316 . 0 0 "[ . 1 . 2]" 2
839 1 18 CYS HB3 1 41 HIS HE1 . . 3.280 2.325 2.294 2.364 . 0 0 "[ . 1 . 2]" 2
840 1 23 GLU HB2 1 41 HIS HE1 . . 2.860 2.633 2.623 2.642 . 0 0 "[ . 1 . 2]" 2
841 1 33 GLN HG3 1 39 LEU MD1 . . 3.840 3.821 3.800 3.843 0.003 11 0 "[ . 1 . 2]" 2
842 1 32 ARG H 1 39 LEU MD2 . . 3.860 3.330 3.307 3.357 . 0 0 "[ . 1 . 2]" 2
843 1 34 LEU H 1 39 LEU MD2 . . 4.110 3.968 3.945 4.026 . 0 0 "[ . 1 . 2]" 2
844 1 22 LYS H 1 22 LYS HG3 . . 4.370 4.206 4.172 4.245 . 0 0 "[ . 1 . 2]" 2
845 1 39 LEU MD2 1 40 PHE H . . 3.490 2.967 2.926 3.015 . 0 0 "[ . 1 . 2]" 2
846 1 25 TYR QE 1 39 LEU MD2 . . 4.120 4.145 4.128 4.178 0.058 19 0 "[ . 1 . 2]" 2
847 1 33 GLN HA 1 39 LEU MD2 . . 3.390 1.987 1.967 2.050 . 0 0 "[ . 1 . 2]" 2
848 1 39 LEU HA 1 39 LEU MD2 . . 3.190 2.433 2.412 2.470 . 0 0 "[ . 1 . 2]" 2
849 1 33 GLN HG2 1 39 LEU MD2 . . 4.150 4.065 4.040 4.089 . 0 0 "[ . 1 . 2]" 2
850 1 33 GLN HB3 1 39 LEU MD2 . . 3.540 3.299 3.267 3.322 . 0 0 "[ . 1 . 2]" 2
851 1 33 GLN HG3 1 39 LEU MD2 . . 3.580 3.170 3.130 3.204 . 0 0 "[ . 1 . 2]" 2
852 1 33 GLN HB2 1 39 LEU MD2 . . 3.330 1.934 1.899 1.958 . 0 0 "[ . 1 . 2]" 2
853 1 39 LEU QB 1 39 LEU MD2 . . 2.810 2.104 2.091 2.115 . 0 0 "[ . 1 . 2]" 2
854 1 27 LEU H 1 27 LEU MD1 . . 4.110 2.835 1.839 3.609 . 0 0 "[ . 1 . 2]" 2
855 1 46 VAL H 1 46 VAL MG2 . . 2.870 2.663 2.597 2.746 . 0 0 "[ . 1 . 2]" 2
856 1 45 ILE H 1 46 VAL MG2 . . 4.570 4.514 4.469 4.559 . 0 0 "[ . 1 . 2]" 2
857 1 42 ASP HA 1 46 VAL MG2 . . 3.620 3.182 2.957 3.248 . 0 0 "[ . 1 . 2]" 2
858 1 27 LEU HA 1 27 LEU MD1 . . 4.160 3.745 3.473 3.938 . 0 0 "[ . 1 . 2]" 2
859 1 46 VAL HA 1 46 VAL MG2 . . 2.730 2.116 2.009 2.185 . 0 0 "[ . 1 . 2]" 2
860 1 38 HIS HE1 1 58 CYS HB2 . . 3.980 3.757 3.402 3.989 0.009 14 0 "[ . 1 . 2]" 2
861 1 38 HIS HE1 1 58 CYS HB3 . . 2.970 2.384 2.048 2.672 . 0 0 "[ . 1 . 2]" 2
862 1 42 ASP HB3 1 46 VAL MG2 . . 4.460 4.461 4.417 4.494 0.034 13 0 "[ . 1 . 2]" 2
863 1 38 HIS HE1 1 57 VAL MG1 . . 3.520 3.365 3.184 3.441 . 0 0 "[ . 1 . 2]" 2
864 1 62 LEU HA 1 62 LEU MD2 . . 2.950 2.336 2.210 2.462 . 0 0 "[ . 1 . 2]" 2
865 1 35 PRO HD2 1 62 LEU MD2 . . 3.610 2.041 1.938 2.099 . 0 0 "[ . 1 . 2]" 2
866 1 46 VAL MG2 1 47 PRO HD3 . . 3.700 3.657 3.647 3.670 . 0 0 "[ . 1 . 2]" 2
867 1 46 VAL MG2 1 47 PRO HD2 . . 4.060 3.949 3.932 3.967 . 0 0 "[ . 1 . 2]" 2
868 1 42 ASP HB2 1 46 VAL MG2 . . 4.540 4.373 4.298 4.435 . 0 0 "[ . 1 . 2]" 2
869 1 35 PRO HG2 1 62 LEU MD2 . . 3.920 2.079 2.003 2.137 . 0 0 "[ . 1 . 2]" 2
870 1 34 LEU HB3 1 62 LEU MD2 . . 3.770 2.961 2.859 3.094 . 0 0 "[ . 1 . 2]" 2
871 1 19 PRO HD3 1 40 PHE QD . . 3.990 3.964 3.915 3.993 0.003 16 0 "[ . 1 . 2]" 2
872 1 19 PRO HD2 1 40 PHE QD . . 3.460 2.632 2.590 2.666 . 0 0 "[ . 1 . 2]" 2
873 1 19 PRO HD3 1 40 PHE QE . . 4.310 4.155 4.111 4.181 . 0 0 "[ . 1 . 2]" 2
874 1 19 PRO HD2 1 40 PHE QE . . 3.920 3.763 3.736 3.787 . 0 0 "[ . 1 . 2]" 2
875 1 19 PRO HD3 1 40 PHE HA . . 3.900 3.921 3.866 3.944 0.044 17 0 "[ . 1 . 2]" 2
876 1 18 CYS HB2 1 19 PRO HD2 . . 4.440 3.481 3.397 3.527 . 0 0 "[ . 1 . 2]" 2
877 1 19 PRO HD2 1 20 VAL MG2 . . 4.180 3.138 3.125 3.172 . 0 0 "[ . 1 . 2]" 2
878 1 16 LEU MD1 1 25 TYR QD . . 4.110 1.928 1.886 2.058 . 0 0 "[ . 1 . 2]" 2
879 1 16 LEU MD1 1 25 TYR QE . . 3.960 3.058 2.949 3.234 . 0 0 "[ . 1 . 2]" 2
880 1 16 LEU HB3 1 16 LEU MD1 . . 3.330 3.183 3.183 3.185 . 0 0 "[ . 1 . 2]" 2
881 1 34 LEU HB3 1 35 PRO HD3 . . 3.330 3.347 3.334 3.354 0.024 1 0 "[ . 1 . 2]" 2
882 1 34 LEU HB3 1 35 PRO HD2 . . 3.000 1.888 1.873 1.897 . 0 0 "[ . 1 . 2]" 2
883 1 35 PRO HD3 1 62 LEU MD2 . . 3.790 2.756 2.595 2.915 . 0 0 "[ . 1 . 2]" 2
884 1 34 LEU H 1 34 LEU MD2 . . 3.800 3.746 3.712 3.823 0.023 18 0 "[ . 1 . 2]" 2
885 1 49 LEU H 1 49 LEU MD2 . . 3.530 2.775 2.733 2.835 . 0 0 "[ . 1 . 2]" 2
886 1 49 LEU MD2 1 52 HIS H . . 4.710 4.587 4.506 4.654 . 0 0 "[ . 1 . 2]" 2
887 1 70 ASN HA 1 71 PRO HD2 . . 3.070 2.101 1.914 2.426 . 0 0 "[ . 1 . 2]" 2
888 1 70 ASN HA 1 71 PRO HD3 . . 3.070 2.353 2.253 2.756 . 0 0 "[ . 1 . 2]" 2
889 1 49 LEU HA 1 49 LEU MD2 . . 2.790 2.009 1.974 2.056 . 0 0 "[ . 1 . 2]" 2
890 1 49 LEU MD2 1 55 CYS HA . . 3.470 3.382 3.259 3.473 0.003 9 0 "[ . 1 . 2]" 2
891 1 34 LEU MD2 1 35 PRO HD3 . . 3.270 2.418 2.404 2.446 . 0 0 "[ . 1 . 2]" 2
892 1 34 LEU MD2 1 35 PRO HD2 . . 3.360 1.963 1.951 1.973 . 0 0 "[ . 1 . 2]" 2
893 1 48 TRP QB 1 49 LEU MD2 . . 4.000 3.256 3.166 3.373 . 0 0 "[ . 1 . 2]" 2
894 1 49 LEU MD2 1 56 PRO HD3 . . 3.430 3.042 2.910 3.139 . 0 0 "[ . 1 . 2]" 2
895 1 34 LEU HB2 1 34 LEU MD2 . . 3.190 3.174 3.173 3.177 . 0 0 "[ . 1 . 2]" 2
896 1 49 LEU HB2 1 49 LEU MD2 . . 3.280 3.187 3.184 3.191 . 0 0 "[ . 1 . 2]" 2
897 1 32 ARG HG2 1 34 LEU MD2 . . 3.570 3.103 3.077 3.193 . 0 0 "[ . 1 . 2]" 2
898 1 56 PRO HD2 1 57 VAL H . . 4.080 3.071 3.037 3.097 . 0 0 "[ . 1 . 2]" 2
899 1 57 VAL H 1 57 VAL MG2 . . 3.140 2.794 2.766 2.826 . 0 0 "[ . 1 . 2]" 2
900 1 57 VAL MG2 1 58 CYS H . . 3.930 3.696 3.614 3.782 . 0 0 "[ . 1 . 2]" 2
901 1 57 VAL MG2 1 59 ARG H . . 5.000 4.882 4.802 4.963 . 0 0 "[ . 1 . 2]" 2
902 1 40 PHE HZ 1 56 PRO HD2 . . 3.580 3.253 3.202 3.329 . 0 0 "[ . 1 . 2]" 2
903 1 40 PHE HZ 1 57 VAL MG2 . . 3.080 2.216 2.147 2.290 . 0 0 "[ . 1 . 2]" 2
904 1 40 PHE QD 1 57 VAL MG2 . . 3.930 3.782 3.739 3.827 . 0 0 "[ . 1 . 2]" 2
905 1 40 PHE QE 1 57 VAL MG2 . . 3.060 1.865 1.827 1.900 . 0 0 "[ . 1 . 2]" 2
906 1 40 PHE QE 1 56 PRO HD2 . . 3.540 3.169 3.129 3.200 . 0 0 "[ . 1 . 2]" 2
907 1 48 TRP HD1 1 56 PRO HD3 . . 3.460 2.570 2.457 2.676 . 0 0 "[ . 1 . 2]" 2
908 1 55 CYS HA 1 56 PRO HD2 . . 2.880 2.028 1.998 2.058 . 0 0 "[ . 1 . 2]" 2
909 1 55 CYS HA 1 56 PRO HD3 . . 2.960 2.286 2.272 2.305 . 0 0 "[ . 1 . 2]" 2
910 1 19 PRO HD3 1 57 VAL MG2 . . 4.290 4.133 4.093 4.165 . 0 0 "[ . 1 . 2]" 2
911 1 20 VAL HA 1 57 VAL MG2 . . 5.180 5.048 4.962 5.117 . 0 0 "[ . 1 . 2]" 2
912 1 57 VAL HA 1 57 VAL MG2 . . 2.710 2.377 2.346 2.405 . 0 0 "[ . 1 . 2]" 2
913 1 38 HIS HB3 1 57 VAL MG2 . . 3.780 3.445 3.366 3.487 . 0 0 "[ . 1 . 2]" 2
914 1 19 PRO HB3 1 57 VAL MG2 . . 3.120 2.696 2.666 2.722 . 0 0 "[ . 1 . 2]" 2
915 1 19 PRO HG3 1 57 VAL MG2 . . 3.200 2.240 2.201 2.284 . 0 0 "[ . 1 . 2]" 2
916 1 19 PRO HB2 1 57 VAL MG2 . . 3.130 2.432 2.383 2.467 . 0 0 "[ . 1 . 2]" 2
917 1 19 PRO HG2 1 57 VAL MG2 . . 3.070 2.860 2.823 2.901 . 0 0 "[ . 1 . 2]" 2
918 1 34 LEU MD1 1 56 PRO HD2 . . 3.390 2.536 2.427 2.718 . 0 0 "[ . 1 . 2]" 2
919 1 49 LEU MD2 1 56 PRO HD2 . . 4.190 3.973 3.889 4.025 . 0 0 "[ . 1 . 2]" 2
920 1 45 ILE HG12 1 56 PRO HD2 . . 5.460 4.612 4.499 4.742 . 0 0 "[ . 1 . 2]" 2
921 1 45 ILE HG12 1 56 PRO HD3 . . 5.230 4.486 4.308 4.738 . 0 0 "[ . 1 . 2]" 2
922 1 56 PRO HD2 1 57 VAL MG2 . . 4.110 3.734 3.698 3.788 . 0 0 "[ . 1 . 2]" 2
923 1 45 ILE MD 1 56 PRO HD2 . . 3.220 2.434 2.374 2.520 . 0 0 "[ . 1 . 2]" 2
924 1 26 ALA H 1 31 VAL MG1 . . 4.310 3.403 3.342 3.462 . 0 0 "[ . 1 . 2]" 2
925 1 20 VAL MG2 1 22 LYS H . . 4.860 4.763 4.743 4.798 . 0 0 "[ . 1 . 2]" 2
926 1 31 VAL MG1 1 41 HIS HD2 . . 3.760 2.527 2.439 2.618 . 0 0 "[ . 1 . 2]" 2
927 1 20 VAL MG2 1 40 PHE QD . . 2.900 1.950 1.916 2.038 . 0 0 "[ . 1 . 2]" 2
928 1 20 VAL MG2 1 40 PHE QE . . 3.560 3.443 3.415 3.468 . 0 0 "[ . 1 . 2]" 2
929 1 47 PRO HD3 1 48 TRP H . . 3.940 3.904 3.880 3.930 . 0 0 "[ . 1 . 2]" 2
930 1 47 PRO HD2 1 48 TRP H . . 3.490 2.764 2.717 2.814 . 0 0 "[ . 1 . 2]" 2
931 1 30 SER HA 1 31 VAL MG1 . . 4.590 4.504 4.451 4.537 . 0 0 "[ . 1 . 2]" 2
932 1 20 VAL MG2 1 45 ILE HA . . 4.100 3.418 3.382 3.537 . 0 0 "[ . 1 . 2]" 2
933 1 44 CYS HA 1 47 PRO HD2 . . 3.700 3.484 3.460 3.510 . 0 0 "[ . 1 . 2]" 2
934 1 20 VAL MG2 1 44 CYS HA . . 4.320 4.055 3.983 4.090 . 0 0 "[ . 1 . 2]" 2
935 1 20 VAL HA 1 20 VAL MG2 . . 2.750 2.498 2.486 2.507 . 0 0 "[ . 1 . 2]" 2
936 1 20 VAL MG2 1 48 TRP QB . . 4.040 3.717 3.676 3.751 . 0 0 "[ . 1 . 2]" 2
937 1 20 VAL MG2 1 44 CYS HB2 . . 3.590 2.479 2.450 2.538 . 0 0 "[ . 1 . 2]" 2
938 1 20 VAL MG2 1 44 CYS HB3 . . 3.250 2.162 2.031 2.212 . 0 0 "[ . 1 . 2]" 2
939 1 25 TYR HB3 1 31 VAL MG1 . . 3.960 2.767 2.693 2.819 . 0 0 "[ . 1 . 2]" 2
940 1 25 TYR HB2 1 31 VAL MG1 . . 3.990 3.832 3.754 3.891 . 0 0 "[ . 1 . 2]" 2
941 1 20 VAL MG2 1 40 PHE HB2 . . 4.310 3.798 3.761 3.916 . 0 0 "[ . 1 . 2]" 2
942 1 46 VAL HB 1 47 PRO HD2 . . 3.150 2.523 2.507 2.548 . 0 0 "[ . 1 . 2]" 2
943 1 29 GLU HB3 1 31 VAL MG1 . . 4.330 3.215 3.087 3.329 . 0 0 "[ . 1 . 2]" 2
944 1 19 PRO HB2 1 20 VAL MG2 . . 3.920 3.880 3.869 3.893 . 0 0 "[ . 1 . 2]" 2
945 1 19 PRO HG2 1 20 VAL MG2 . . 4.120 2.513 2.501 2.533 . 0 0 "[ . 1 . 2]" 2
946 1 45 ILE MG 1 47 PRO HD2 . . 3.820 3.700 3.675 3.723 . 0 0 "[ . 1 . 2]" 2
947 1 46 VAL MG1 1 47 PRO HD2 . . 3.480 3.228 3.209 3.281 . 0 0 "[ . 1 . 2]" 2
948 1 20 VAL MG2 1 56 PRO HG3 . . 3.470 2.737 2.686 2.816 . 0 0 "[ . 1 . 2]" 2
949 1 20 VAL MG2 1 45 ILE MD . . 3.450 2.800 2.746 2.934 . 0 0 "[ . 1 . 2]" 2
950 1 8 THR H 1 8 THR MG . . 4.670 2.965 2.049 4.032 . 0 0 "[ . 1 . 2]" 2
951 1 12 VAL MG2 1 13 GLY H . . 4.130 3.692 3.357 3.947 . 0 0 "[ . 1 . 2]" 2
952 1 46 VAL MG1 1 47 PRO HA . . 3.550 2.941 2.926 2.959 . 0 0 "[ . 1 . 2]" 2
953 1 46 VAL MG1 1 47 PRO HD3 . . 3.120 1.985 1.966 2.058 . 0 0 "[ . 1 . 2]" 2
954 1 26 ALA H 1 26 ALA MB . . 2.910 2.823 2.779 2.862 . 0 0 "[ . 1 . 2]" 2
955 1 12 VAL HA 1 12 VAL MG1 . . 3.200 3.194 3.185 3.203 0.003 11 0 "[ . 1 . 2]" 2
956 1 26 ALA MB 1 29 GLU HB2 . . 3.180 1.993 1.933 2.263 . 0 0 "[ . 1 . 2]" 2
957 1 26 ALA MB 1 29 GLU HG3 . . 3.620 2.035 1.879 3.544 . 0 0 "[ . 1 . 2]" 2
958 1 26 ALA MB 1 29 GLU HB3 . . 4.110 3.323 3.256 3.540 . 0 0 "[ . 1 . 2]" 2
959 1 20 VAL H 1 20 VAL MG1 . . 3.850 3.728 3.724 3.738 . 0 0 "[ . 1 . 2]" 2
960 1 20 VAL MG1 1 21 CYS H . . 3.620 3.581 3.529 3.603 . 0 0 "[ . 1 . 2]" 2
961 1 20 VAL MG1 1 40 PHE QD . . 4.680 4.467 4.429 4.558 . 0 0 "[ . 1 . 2]" 2
962 1 20 VAL MG1 1 48 TRP HZ3 . . 5.120 4.884 4.769 5.011 . 0 0 "[ . 1 . 2]" 2
963 1 20 VAL MG1 1 44 CYS HA . . 3.390 3.167 3.074 3.206 . 0 0 "[ . 1 . 2]" 2
964 1 20 VAL HA 1 20 VAL MG1 . . 2.780 2.166 2.139 2.275 . 0 0 "[ . 1 . 2]" 2
965 1 20 VAL MG1 1 48 TRP QB . . 4.200 3.544 3.471 3.758 . 0 0 "[ . 1 . 2]" 2
966 1 20 VAL MG1 1 44 CYS HB2 . . 3.530 3.424 3.400 3.528 . 0 0 "[ . 1 . 2]" 2
967 1 20 VAL MG1 1 21 CYS HB3 . . 3.840 3.864 3.836 3.937 0.097 11 0 "[ . 1 . 2]" 2
968 1 20 VAL MG1 1 44 CYS HB3 . . 2.930 1.943 1.914 1.996 . 0 0 "[ . 1 . 2]" 2
969 1 57 VAL MG1 1 58 CYS H . . 3.770 2.960 2.755 3.181 . 0 0 "[ . 1 . 2]" 2
970 1 57 VAL MG1 1 59 ARG H . . 4.780 4.574 4.440 4.722 . 0 0 "[ . 1 . 2]" 2
971 1 44 CYS H 1 45 ILE MG . . 4.000 3.847 3.791 3.901 . 0 0 "[ . 1 . 2]" 2
972 1 45 ILE HA 1 45 ILE MG . . 3.350 3.146 3.142 3.152 . 0 0 "[ . 1 . 2]" 2
973 1 42 ASP HA 1 45 ILE MG . . 2.800 2.553 2.482 2.631 . 0 0 "[ . 1 . 2]" 2
974 1 45 ILE MG 1 46 VAL HA . . 3.590 2.667 2.654 2.682 . 0 0 "[ . 1 . 2]" 2
975 1 57 VAL HA 1 57 VAL MG1 . . 2.830 2.474 2.456 2.482 . 0 0 "[ . 1 . 2]" 2
976 1 45 ILE MG 1 48 TRP QB . . 4.770 4.089 4.058 4.117 . 0 0 "[ . 1 . 2]" 2
977 1 57 VAL MG1 1 58 CYS HB2 . . 4.630 4.458 4.319 4.564 . 0 0 "[ . 1 . 2]" 2
978 1 32 ARG HD2 1 45 ILE MG . . 3.430 3.363 3.349 3.379 . 0 0 "[ . 1 . 2]" 2
979 1 57 VAL MG1 1 58 CYS HB3 . . 3.740 3.116 3.032 3.233 . 0 0 "[ . 1 . 2]" 2
980 1 40 PHE HB2 1 45 ILE MG . . 3.100 3.132 3.098 3.152 0.052 8 0 "[ . 1 . 2]" 2
981 1 45 ILE MG 1 46 VAL HB . . 3.990 3.592 3.560 3.616 . 0 0 "[ . 1 . 2]" 2
982 1 32 ARG HB3 1 45 ILE MG . . 3.190 2.385 2.319 2.438 . 0 0 "[ . 1 . 2]" 2
983 1 32 ARG HG3 1 45 ILE MG . . 3.620 3.613 3.573 3.653 0.033 18 0 "[ . 1 . 2]" 2
984 1 32 ARG HG2 1 45 ILE MG . . 3.460 2.220 2.161 2.273 . 0 0 "[ . 1 . 2]" 2
985 1 45 ILE MD 1 45 ILE MG . . 3.390 3.255 3.253 3.256 . 0 0 "[ . 1 . 2]" 2
986 1 31 VAL H 1 31 VAL MG2 . . 2.970 1.850 1.806 1.875 . 0 0 "[ . 1 . 2]" 2
987 1 31 VAL MG2 1 41 HIS HD2 . . 4.870 4.742 4.668 4.807 . 0 0 "[ . 1 . 2]" 2
988 1 25 TYR QE 1 31 VAL MG2 . . 4.520 4.550 4.534 4.573 0.053 19 0 "[ . 1 . 2]" 2
989 1 30 SER HA 1 31 VAL MG2 . . 3.490 3.442 3.377 3.488 . 0 0 "[ . 1 . 2]" 2
990 1 25 TYR HB3 1 31 VAL MG2 . . 4.000 3.731 3.656 3.803 . 0 0 "[ . 1 . 2]" 2
991 1 31 VAL MG2 1 39 LEU QB . . 4.640 4.400 4.352 4.452 . 0 0 "[ . 1 . 2]" 2
992 1 25 TYR QD 1 26 ALA H . . 3.690 3.544 3.491 3.601 . 0 0 "[ . 1 . 2]" 2
993 1 25 TYR H 1 25 TYR QD . . 3.510 3.593 3.573 3.611 0.101 16 0 "[ . 1 . 2]" 2
994 1 18 CYS H 1 25 TYR QD . . 4.300 3.869 3.809 3.928 . 0 0 "[ . 1 . 2]" 2
995 1 39 LEU HA 1 40 PHE QD . . 3.960 2.740 2.707 2.800 . 0 0 "[ . 1 . 2]" 2
996 1 16 LEU HA 1 25 TYR QD . . 5.010 4.910 4.838 4.997 . 0 0 "[ . 1 . 2]" 2
997 1 20 VAL HB 1 40 PHE QD . . 4.660 4.493 4.456 4.555 . 0 0 "[ . 1 . 2]" 2
998 1 16 LEU HB3 1 25 TYR QD . . 4.270 4.204 4.130 4.293 0.023 10 0 "[ . 1 . 2]" 2
999 1 40 PHE QD 1 45 ILE HB . . 4.050 3.917 3.906 3.925 . 0 0 "[ . 1 . 2]" 2
1000 1 40 PHE QD 1 56 PRO HG2 . . 3.890 2.896 2.813 3.049 . 0 0 "[ . 1 . 2]" 2
1001 1 34 LEU MD2 1 40 PHE QD . . 3.940 3.879 3.800 3.965 0.025 18 0 "[ . 1 . 2]" 2
1002 1 16 LEU MD2 1 25 TYR QD . . 3.890 2.382 2.292 2.642 . 0 0 "[ . 1 . 2]" 2
1003 1 25 TYR QD 1 31 VAL MG2 . . 4.080 4.064 4.035 4.090 0.010 7 0 "[ . 1 . 2]" 2
1004 1 25 TYR QD 1 31 VAL MG1 . . 3.270 2.228 2.198 2.328 . 0 0 "[ . 1 . 2]" 2
1005 1 16 LEU MD2 1 39 LEU QB . . 5.100 4.706 4.537 5.000 . 0 0 "[ . 1 . 2]" 2
1006 1 32 ARG HB3 1 42 ASP HB2 . . 4.530 4.019 3.975 4.056 . 0 0 "[ . 1 . 2]" 2
1007 1 30 SER HA 1 42 ASP HB2 . . 4.610 4.329 4.283 4.385 . 0 0 "[ . 1 . 2]" 2
1008 1 45 ILE HG13 1 48 TRP HD1 . . 4.600 3.558 3.395 3.717 . 0 0 "[ . 1 . 2]" 2
1009 1 48 TRP HE3 1 52 HIS HD2 . . 4.470 3.496 3.171 3.739 . 0 0 "[ . 1 . 2]" 2
1010 1 38 HIS HD2 1 57 VAL MG2 . . 4.640 4.621 4.502 4.658 0.018 15 0 "[ . 1 . 2]" 2
1011 1 38 HIS HD2 1 57 VAL HB . . 5.260 5.184 5.030 5.252 . 0 0 "[ . 1 . 2]" 2
1012 1 26 ALA H 1 41 HIS HD2 . . 4.670 4.660 4.629 4.690 0.020 20 0 "[ . 1 . 2]" 2
1013 1 41 HIS H 1 41 HIS HD2 . . 4.650 4.116 4.095 4.144 . 0 0 "[ . 1 . 2]" 2
1014 1 55 CYS QB 1 60 LYS HB2 . . 4.370 3.133 2.792 3.974 . 0 0 "[ . 1 . 2]" 2
1015 1 55 CYS QB 1 57 VAL H . . 4.530 3.165 3.139 3.190 . 0 0 "[ . 1 . 2]" 2
1016 1 9 GLU H 1 12 VAL HB . . 5.300 3.530 1.921 5.400 0.100 4 0 "[ . 1 . 2]" 2
1017 1 17 GLU HA 1 25 TYR QE . . 4.380 4.142 4.086 4.200 . 0 0 "[ . 1 . 2]" 2
1018 1 25 TYR QE 1 31 VAL HB . . 4.680 4.167 4.132 4.261 . 0 0 "[ . 1 . 2]" 2
1019 1 49 LEU MD2 1 52 HIS HB2 . . 4.600 4.110 3.996 4.224 . 0 0 "[ . 1 . 2]" 2
1020 1 61 SER HA 1 62 LEU MD2 . . 4.480 4.417 4.312 4.486 0.006 8 0 "[ . 1 . 2]" 2
1021 1 48 TRP HZ2 1 52 HIS HB2 . . 4.600 3.979 3.746 4.205 . 0 0 "[ . 1 . 2]" 2
1022 1 16 LEU MD2 1 17 GLU H . . 5.250 4.713 4.693 4.741 . 0 0 "[ . 1 . 2]" 2
1023 1 25 TYR QD 1 39 LEU MD1 . . 4.430 4.103 4.037 4.155 . 0 0 "[ . 1 . 2]" 2
1024 1 32 ARG H 1 39 LEU MD1 . . 5.500 5.545 5.528 5.566 0.066 19 0 "[ . 1 . 2]" 2
1025 1 16 LEU MD1 1 17 GLU HA . . 4.450 2.721 2.688 2.759 . 0 0 "[ . 1 . 2]" 2
1026 1 45 ILE H 1 47 PRO HD3 . . 4.540 4.531 4.492 4.564 0.024 15 0 "[ . 1 . 2]" 2
1027 1 44 CYS HA 1 47 PRO HG3 . . 3.490 3.350 3.274 3.386 . 0 0 "[ . 1 . 2]" 2
1028 1 15 GLY HA3 1 16 LEU HA . . 4.560 4.534 4.526 4.537 . 0 0 "[ . 1 . 2]" 2
1029 1 16 LEU HA 1 17 GLU HA . . 4.930 4.969 4.947 4.985 0.055 8 0 "[ . 1 . 2]" 2
1030 1 18 CYS HB3 1 40 PHE HA . . 4.690 4.642 4.587 4.680 . 0 0 "[ . 1 . 2]" 2
1031 1 18 CYS HB3 1 41 HIS HB2 . . 5.170 4.214 4.166 4.252 . 0 0 "[ . 1 . 2]" 2
1032 1 19 PRO HA 1 22 LYS HG2 . . 4.500 3.089 3.024 3.141 . 0 0 "[ . 1 . 2]" 2
1033 1 19 PRO HA 1 20 VAL MG2 . . 5.020 4.805 4.794 4.825 . 0 0 "[ . 1 . 2]" 2
1034 1 19 PRO HB2 1 57 VAL MG1 . . 4.360 4.311 4.186 4.368 0.008 19 0 "[ . 1 . 2]" 2
1035 1 19 PRO HB3 1 22 LYS HG2 . . 5.500 5.155 5.097 5.210 . 0 0 "[ . 1 . 2]" 2
1036 1 19 PRO HB3 1 56 PRO HG2 . . 5.500 5.488 5.432 5.517 0.017 10 0 "[ . 1 . 2]" 2
1037 1 19 PRO HB3 1 57 VAL HB . . 5.500 5.519 5.489 5.533 0.033 15 0 "[ . 1 . 2]" 2
1038 1 19 PRO HB3 1 57 VAL MG1 . . 4.420 4.180 4.092 4.247 . 0 0 "[ . 1 . 2]" 2
1039 1 19 PRO HG3 1 40 PHE QD . . 4.360 3.187 3.153 3.210 . 0 0 "[ . 1 . 2]" 2
1040 1 19 PRO HD2 1 57 VAL MG2 . . 4.660 4.407 4.374 4.448 . 0 0 "[ . 1 . 2]" 2
1041 1 18 CYS HB3 1 19 PRO HD2 . . 4.610 4.310 4.284 4.321 . 0 0 "[ . 1 . 2]" 2
1042 1 18 CYS HA 1 19 PRO HD3 . . 2.860 2.272 2.265 2.276 . 0 0 "[ . 1 . 2]" 2
1043 1 18 CYS HA 1 19 PRO HD2 . . 2.970 2.057 2.047 2.077 . 0 0 "[ . 1 . 2]" 2
1044 1 19 PRO HD3 1 25 TYR QE . . 4.840 4.704 4.637 4.764 . 0 0 "[ . 1 . 2]" 2
1045 1 19 PRO HD2 1 25 TYR QE . . 4.720 4.474 4.420 4.519 . 0 0 "[ . 1 . 2]" 2
1046 1 19 PRO HD3 1 20 VAL MG2 . . 4.770 4.489 4.476 4.517 . 0 0 "[ . 1 . 2]" 2
1047 1 19 PRO HA 1 20 VAL HA . . 5.140 4.885 4.875 4.895 . 0 0 "[ . 1 . 2]" 2
1048 1 20 VAL HA 1 40 PHE QD . . 4.870 4.513 4.475 4.623 . 0 0 "[ . 1 . 2]" 2
1049 1 20 VAL HA 1 22 LYS H . . 4.990 4.675 4.629 4.741 . 0 0 "[ . 1 . 2]" 2
1050 1 20 VAL MG2 1 56 PRO HD3 . . 4.680 4.594 4.558 4.641 . 0 0 "[ . 1 . 2]" 2
1051 1 20 VAL MG2 1 56 PRO HD2 . . 4.740 4.625 4.579 4.669 . 0 0 "[ . 1 . 2]" 2
1052 1 20 VAL MG1 1 45 ILE MD . . 4.490 4.128 4.073 4.358 . 0 0 "[ . 1 . 2]" 2
1053 1 20 VAL MG1 1 56 PRO HG3 . . 4.820 4.062 3.975 4.128 . 0 0 "[ . 1 . 2]" 2
1054 1 20 VAL MG1 1 45 ILE HA . . 4.570 4.195 4.123 4.511 . 0 0 "[ . 1 . 2]" 2
1055 1 20 VAL MG1 1 45 ILE H . . 5.080 4.658 4.598 4.830 . 0 0 "[ . 1 . 2]" 2
1056 1 22 LYS HA 1 22 LYS HG3 . . 3.870 3.847 3.834 3.858 . 0 0 "[ . 1 . 2]" 2
1057 1 18 CYS HB3 1 22 LYS HA . . 5.130 4.847 4.799 4.901 . 0 0 "[ . 1 . 2]" 2
1058 1 22 LYS HA 1 23 GLU HA . . 4.730 4.526 4.521 4.532 . 0 0 "[ . 1 . 2]" 2
1059 1 20 VAL H 1 22 LYS HA . . 5.420 5.201 5.177 5.226 . 0 0 "[ . 1 . 2]" 2
1060 1 19 PRO HA 1 22 LYS HG3 . . 4.590 4.428 4.391 4.457 . 0 0 "[ . 1 . 2]" 2
1061 1 22 LYS HB3 1 22 LYS HE2 . . 5.090 4.558 4.544 4.575 . 0 0 "[ . 1 . 2]" 2
1062 1 22 LYS HB2 1 22 LYS HE3 . . 5.090 4.538 4.518 4.551 . 0 0 "[ . 1 . 2]" 2
1063 1 22 LYS HA 1 22 LYS HE2 . . 5.500 4.341 4.299 4.394 . 0 0 "[ . 1 . 2]" 2
1064 1 19 PRO HA 1 22 LYS HE2 . . 4.770 2.257 2.195 2.383 . 0 0 "[ . 1 . 2]" 2
1065 1 19 PRO HA 1 22 LYS HE3 . . 4.770 3.799 3.741 3.923 . 0 0 "[ . 1 . 2]" 2
1066 1 20 VAL HA 1 22 LYS HE3 . . 5.500 5.421 5.302 5.497 . 0 0 "[ . 1 . 2]" 2
1067 1 22 LYS HA 1 22 LYS HE3 . . 5.500 4.930 4.909 4.986 . 0 0 "[ . 1 . 2]" 2
1068 1 22 LYS HB2 1 22 LYS HE2 . . 5.090 5.068 5.046 5.090 . 0 0 "[ . 1 . 2]" 2
1069 1 22 LYS HB3 1 22 LYS HE3 . . 5.090 4.327 4.309 4.338 . 0 0 "[ . 1 . 2]" 2
1070 1 23 GLU H 1 23 GLU HB3 . . 3.750 3.658 3.651 3.662 . 0 0 "[ . 1 . 2]" 2
1071 1 24 ASP QB 1 25 TYR QD . . 5.500 5.208 5.068 5.555 0.055 17 0 "[ . 1 . 2]" 2
1072 1 25 TYR HA 1 25 TYR QD . . 4.040 1.967 1.936 1.982 . 0 0 "[ . 1 . 2]" 2
1073 1 16 LEU MD2 1 25 TYR HB3 . . 4.480 4.338 4.210 4.474 . 0 0 "[ . 1 . 2]" 2
1074 1 16 LEU MD2 1 25 TYR HB2 . . 4.550 3.354 3.217 3.436 . 0 0 "[ . 1 . 2]" 2
1075 1 25 TYR HB2 1 26 ALA MB . . 5.080 4.973 4.942 5.006 . 0 0 "[ . 1 . 2]" 2
1076 1 25 TYR HB2 1 29 GLU HB2 . . 5.500 5.502 5.453 5.523 0.023 14 0 "[ . 1 . 2]" 2
1077 1 26 ALA MB 1 27 LEU HA . . 4.680 4.615 4.489 4.644 . 0 0 "[ . 1 . 2]" 2
1078 1 25 TYR HB3 1 26 ALA MB . . 4.580 4.305 4.284 4.335 . 0 0 "[ . 1 . 2]" 2
1079 1 27 LEU HB3 1 28 GLY H . . 4.380 3.533 3.325 3.735 . 0 0 "[ . 1 . 2]" 2
1080 1 26 ALA HA 1 27 LEU HG . . 4.650 4.169 3.803 4.488 . 0 0 "[ . 1 . 2]" 2
1081 1 27 LEU HG 1 28 GLY H . . 4.730 4.486 4.154 4.698 . 0 0 "[ . 1 . 2]" 2
1082 1 28 GLY HA3 1 29 GLU HB2 . . 5.500 5.162 5.111 5.185 . 0 0 "[ . 1 . 2]" 2
1083 1 31 VAL HA 1 42 ASP H . . 4.530 2.569 2.520 2.646 . 0 0 "[ . 1 . 2]" 2
1084 1 31 VAL HB 1 40 PHE H . . 4.560 3.937 3.887 3.968 . 0 0 "[ . 1 . 2]" 2
1085 1 29 GLU HA 1 31 VAL MG1 . . 5.390 5.129 5.061 5.191 . 0 0 "[ . 1 . 2]" 2
1086 1 32 ARG HG2 1 40 PHE HB2 . . 4.760 3.587 3.543 3.619 . 0 0 "[ . 1 . 2]" 2
1087 1 32 ARG HD3 1 45 ILE HB . . 5.150 4.449 4.440 4.481 . 0 0 "[ . 1 . 2]" 2
1088 1 32 ARG HD3 1 45 ILE HG13 . . 5.440 4.227 4.179 4.292 . 0 0 "[ . 1 . 2]" 2
1089 1 32 ARG HD3 1 40 PHE HB2 . . 5.390 5.137 5.090 5.180 . 0 0 "[ . 1 . 2]" 2
1090 1 32 ARG H 1 32 ARG HD2 . . 5.500 5.501 5.473 5.515 0.015 6 0 "[ . 1 . 2]" 2
1091 1 32 ARG H 1 32 ARG HD3 . . 5.370 5.300 5.279 5.322 . 0 0 "[ . 1 . 2]" 2
1092 1 33 GLN HA 1 40 PHE QD . . 4.960 3.827 3.800 3.860 . 0 0 "[ . 1 . 2]" 2
1093 1 33 GLN HB3 1 39 LEU HG . . 4.460 4.368 4.325 4.406 . 0 0 "[ . 1 . 2]" 2
1094 1 33 GLN HB3 1 39 LEU HA . . 5.010 4.965 4.945 4.989 . 0 0 "[ . 1 . 2]" 2
1095 1 33 GLN HB2 1 39 LEU HA . . 4.500 4.064 4.026 4.095 . 0 0 "[ . 1 . 2]" 2
1096 1 32 ARG HA 1 33 GLN HB3 . . 4.920 4.709 4.698 4.718 . 0 0 "[ . 1 . 2]" 2
1097 1 32 ARG HA 1 33 GLN HB2 . . 4.480 4.364 4.347 4.371 . 0 0 "[ . 1 . 2]" 2
1098 1 33 GLN H 1 33 GLN HG2 . . 4.660 4.576 4.570 4.585 . 0 0 "[ . 1 . 2]" 2
1099 1 33 GLN HG2 1 39 LEU HG . . 4.380 4.051 4.021 4.082 . 0 0 "[ . 1 . 2]" 2
1100 1 33 GLN HG3 1 37 ASN HA . . 3.880 3.781 3.754 3.805 . 0 0 "[ . 1 . 2]" 2
1101 1 33 GLN HA 1 34 LEU HB2 . . 4.470 4.354 4.347 4.376 . 0 0 "[ . 1 . 2]" 2
1102 1 34 LEU HB3 1 40 PHE QE . . 4.820 3.909 3.836 3.978 . 0 0 "[ . 1 . 2]" 2
1103 1 34 LEU HB3 1 38 HIS HB2 . . 4.920 3.682 3.626 3.774 . 0 0 "[ . 1 . 2]" 2
1104 1 35 PRO HD2 1 62 LEU HG . . 4.860 4.817 4.714 4.877 0.017 13 0 "[ . 1 . 2]" 2
1105 1 34 LEU HA 1 34 LEU MD1 . . 3.860 3.750 3.735 3.795 . 0 0 "[ . 1 . 2]" 2
1106 1 34 LEU MD1 1 45 ILE HA . . 5.500 5.564 5.548 5.582 0.082 12 0 "[ . 1 . 2]" 2
1107 1 33 GLN HA 1 34 LEU MD1 . . 5.500 5.446 5.332 5.483 . 0 0 "[ . 1 . 2]" 2
1108 1 34 LEU MD1 1 55 CYS H . . 4.750 3.596 3.415 3.698 . 0 0 "[ . 1 . 2]" 2
1109 1 33 GLN H 1 34 LEU MD2 . . 5.130 5.038 4.992 5.153 0.023 18 0 "[ . 1 . 2]" 2
1110 1 35 PRO HB2 1 62 LEU MD2 . . 4.350 3.901 3.833 3.944 . 0 0 "[ . 1 . 2]" 2
1111 1 35 PRO HB3 1 62 LEU MD2 . . 4.690 4.049 3.988 4.107 . 0 0 "[ . 1 . 2]" 2
1112 1 34 LEU H 1 35 PRO HD2 . . 4.770 4.758 4.756 4.761 . 0 0 "[ . 1 . 2]" 2
1113 1 35 PRO HD3 1 62 LEU HB3 . . 4.390 4.349 4.227 4.397 0.007 20 0 "[ . 1 . 2]" 2
1114 1 36 CYS HB2 1 38 HIS H . . 4.850 4.575 4.451 4.790 . 0 0 "[ . 1 . 2]" 2
1115 1 37 ASN HB2 1 38 HIS H . . 4.790 4.119 4.077 4.169 . 0 0 "[ . 1 . 2]" 2
1116 1 39 LEU QB 1 40 PHE HB2 . . 5.230 5.197 5.170 5.220 . 0 0 "[ . 1 . 2]" 2
1117 1 38 HIS HB3 1 39 LEU QB . . 5.450 5.183 5.168 5.203 . 0 0 "[ . 1 . 2]" 2
1118 1 33 GLN HA 1 39 LEU QB . . 3.920 3.728 3.704 3.748 . 0 0 "[ . 1 . 2]" 2
1119 1 39 LEU QB 1 40 PHE QD . . 4.680 4.237 4.217 4.278 . 0 0 "[ . 1 . 2]" 2
1120 1 34 LEU H 1 39 LEU QB . . 5.180 4.943 4.912 4.981 . 0 0 "[ . 1 . 2]" 2
1121 1 32 ARG H 1 39 LEU QB . . 4.720 4.086 4.014 4.128 . 0 0 "[ . 1 . 2]" 2
1122 1 38 HIS HA 1 39 LEU HG . . 4.770 4.473 4.434 4.499 . 0 0 "[ . 1 . 2]" 2
1123 1 33 GLN HE22 1 39 LEU MD1 . . 4.820 3.197 3.169 3.233 . 0 0 "[ . 1 . 2]" 2
1124 1 33 GLN HE21 1 39 LEU MD2 . . 4.350 4.301 4.215 4.336 . 0 0 "[ . 1 . 2]" 2
1125 1 39 LEU MD2 1 40 PHE QD . . 4.710 4.489 4.453 4.520 . 0 0 "[ . 1 . 2]" 2
1126 1 25 TYR QD 1 39 LEU MD2 . . 5.180 4.991 4.952 5.023 . 0 0 "[ . 1 . 2]" 2
1127 1 32 ARG HA 1 39 LEU MD2 . . 4.410 3.436 3.411 3.457 . 0 0 "[ . 1 . 2]" 2
1128 1 20 VAL MG2 1 40 PHE HA . . 4.700 3.555 3.491 3.673 . 0 0 "[ . 1 . 2]" 2
1129 1 18 CYS HA 1 40 PHE HA . . 4.050 3.121 3.065 3.151 . 0 0 "[ . 1 . 2]" 2
1130 1 40 PHE HA 1 40 PHE QE . . 4.990 4.814 4.803 4.820 . 0 0 "[ . 1 . 2]" 2
1131 1 39 LEU HA 1 40 PHE HB2 . . 4.650 4.551 4.538 4.562 . 0 0 "[ . 1 . 2]" 2
1132 1 40 PHE HB2 1 42 ASP HA . . 5.330 5.360 5.343 5.388 0.058 11 0 "[ . 1 . 2]" 2
1133 1 19 PRO HD2 1 40 PHE HB2 . . 4.960 4.837 4.803 4.872 . 0 0 "[ . 1 . 2]" 2
1134 1 32 ARG HB2 1 40 PHE HB2 . . 5.500 5.532 5.508 5.545 0.045 9 0 "[ . 1 . 2]" 2
1135 1 40 PHE HB3 1 44 CYS HB3 . . 4.560 4.236 4.080 4.294 . 0 0 "[ . 1 . 2]" 2
1136 1 41 HIS HB2 1 45 ILE H . . 4.510 3.961 3.931 4.012 . 0 0 "[ . 1 . 2]" 2
1137 1 41 HIS HB3 1 45 ILE H . . 4.660 4.579 4.546 4.613 . 0 0 "[ . 1 . 2]" 2
1138 1 41 HIS HB3 1 42 ASP HA . . 5.500 4.936 4.907 4.953 . 0 0 "[ . 1 . 2]" 2
1139 1 41 HIS HB3 1 44 CYS HA . . 5.500 5.046 5.028 5.071 . 0 0 "[ . 1 . 2]" 2
1140 1 42 ASP HA 1 44 CYS H . . 4.530 3.927 3.879 3.971 . 0 0 "[ . 1 . 2]" 2
1141 1 14 SER HA 1 16 LEU HG . . 5.240 4.067 3.780 5.072 . 0 0 "[ . 1 . 2]" 2
1142 1 32 ARG HB2 1 42 ASP HB3 . . 5.500 5.496 5.448 5.523 0.023 6 0 "[ . 1 . 2]" 2
1143 1 42 ASP HB3 1 43 SER HA . . 4.820 4.685 4.652 4.705 . 0 0 "[ . 1 . 2]" 2
1144 1 31 VAL HA 1 42 ASP HB2 . . 3.640 3.550 3.480 3.650 0.010 20 0 "[ . 1 . 2]" 2
1145 1 42 ASP HB3 1 44 CYS H . . 5.380 5.185 5.169 5.220 . 0 0 "[ . 1 . 2]" 2
1146 1 41 HIS HB3 1 43 SER HA . . 4.950 4.959 4.950 4.967 0.017 20 0 "[ . 1 . 2]" 2
1147 1 43 SER HA 1 45 ILE H . . 4.630 4.510 4.459 4.543 . 0 0 "[ . 1 . 2]" 2
1148 1 42 ASP HB3 1 43 SER HB3 . . 5.070 4.948 4.839 5.071 0.001 10 0 "[ . 1 . 2]" 2
1149 1 43 SER HB2 1 46 VAL MG2 . . 5.500 5.394 5.310 5.474 . 0 0 "[ . 1 . 2]" 2
1150 1 42 ASP HB3 1 43 SER HB2 . . 4.950 4.401 4.302 4.474 . 0 0 "[ . 1 . 2]" 2
1151 1 44 CYS HA 1 47 PRO HD3 . . 4.530 4.451 4.369 4.496 . 0 0 "[ . 1 . 2]" 2
1152 1 41 HIS HB2 1 44 CYS HA . . 4.500 4.318 4.277 4.334 . 0 0 "[ . 1 . 2]" 2
1153 1 21 CYS H 1 44 CYS HB2 . . 5.230 4.995 4.954 5.048 . 0 0 "[ . 1 . 2]" 2
1154 1 40 PHE HA 1 44 CYS HB2 . . 4.790 4.611 4.550 4.643 . 0 0 "[ . 1 . 2]" 2
1155 1 41 HIS HA 1 44 CYS HB2 . . 4.780 4.444 4.377 4.474 . 0 0 "[ . 1 . 2]" 2
1156 1 44 CYS HB2 1 45 ILE HA . . 4.690 4.506 4.490 4.553 . 0 0 "[ . 1 . 2]" 2
1157 1 44 CYS HB3 1 45 ILE HA . . 4.530 4.427 4.389 4.446 . 0 0 "[ . 1 . 2]" 2
1158 1 44 CYS HB2 1 45 ILE HB . . 4.530 4.063 4.046 4.080 . 0 0 "[ . 1 . 2]" 2
1159 1 44 CYS HA 1 45 ILE HA . . 4.710 4.661 4.651 4.667 . 0 0 "[ . 1 . 2]" 2
1160 1 45 ILE HB 1 48 TRP QB . . 4.610 4.396 4.370 4.426 . 0 0 "[ . 1 . 2]" 2
1161 1 42 ASP HA 1 45 ILE HB . . 4.620 4.384 4.342 4.449 . 0 0 "[ . 1 . 2]" 2
1162 1 45 ILE H 1 45 ILE HG12 . . 4.870 4.685 4.670 4.702 . 0 0 "[ . 1 . 2]" 2
1163 1 40 PHE QE 1 45 ILE HG12 . . 5.260 4.795 4.745 4.909 . 0 0 "[ . 1 . 2]" 2
1164 1 40 PHE HB3 1 45 ILE HG12 . . 4.390 3.920 3.844 4.046 . 0 0 "[ . 1 . 2]" 2
1165 1 45 ILE HG13 1 49 LEU MD2 . . 3.590 1.988 1.969 2.031 . 0 0 "[ . 1 . 2]" 2
1166 1 40 PHE QD 1 45 ILE HG13 . . 5.000 4.897 4.851 4.950 . 0 0 "[ . 1 . 2]" 2
1167 1 45 ILE H 1 45 ILE HG13 . . 4.670 4.604 4.580 4.615 . 0 0 "[ . 1 . 2]" 2
1168 1 41 HIS H 1 45 ILE MG . . 5.150 5.128 5.101 5.152 0.002 6 0 "[ . 1 . 2]" 2
1169 1 45 ILE MG 1 48 TRP HD1 . . 5.300 5.213 5.061 5.312 0.012 11 0 "[ . 1 . 2]" 2
1170 1 40 PHE HA 1 45 ILE MG . . 5.400 5.356 5.339 5.370 . 0 0 "[ . 1 . 2]" 2
1171 1 41 HIS HA 1 45 ILE MG . . 5.220 5.147 5.100 5.186 . 0 0 "[ . 1 . 2]" 2
1172 1 42 ASP HB3 1 45 ILE MG . . 5.450 5.195 5.121 5.273 . 0 0 "[ . 1 . 2]" 2
1173 1 45 ILE MD 1 49 LEU HB2 . . 5.470 5.218 5.131 5.327 . 0 0 "[ . 1 . 2]" 2
1174 1 45 ILE MD 1 49 LEU HG . . 3.350 3.199 3.110 3.342 . 0 0 "[ . 1 . 2]" 2
1175 1 40 PHE HB3 1 45 ILE MD . . 3.910 2.547 2.430 2.644 . 0 0 "[ . 1 . 2]" 2
1176 1 45 ILE H 1 46 VAL HA . . 5.130 5.010 4.986 5.020 . 0 0 "[ . 1 . 2]" 2
1177 1 45 ILE HA 1 46 VAL HA . . 5.180 4.934 4.923 4.945 . 0 0 "[ . 1 . 2]" 2
1178 1 45 ILE HG13 1 46 VAL HA . . 4.650 4.581 4.550 4.610 . 0 0 "[ . 1 . 2]" 2
1179 1 45 ILE MD 1 46 VAL HA . . 5.500 5.462 5.420 5.519 0.019 12 0 "[ . 1 . 2]" 2
1180 1 42 ASP HA 1 46 VAL HB . . 4.500 4.294 4.237 4.359 . 0 0 "[ . 1 . 2]" 2
1181 1 32 ARG HD2 1 46 VAL MG2 . . 4.580 4.503 4.408 4.581 0.001 10 0 "[ . 1 . 2]" 2
1182 1 32 ARG HD3 1 46 VAL MG2 . . 4.470 3.643 3.572 3.770 . 0 0 "[ . 1 . 2]" 2
1183 1 46 VAL MG1 1 50 GLU H . . 4.670 4.545 4.508 4.576 . 0 0 "[ . 1 . 2]" 2
1184 1 45 ILE H 1 46 VAL MG1 . . 5.500 5.391 5.355 5.416 . 0 0 "[ . 1 . 2]" 2
1185 1 46 VAL MG1 1 47 PRO HB3 . . 4.450 3.241 3.221 3.291 . 0 0 "[ . 1 . 2]" 2
1186 1 46 VAL MG1 1 47 PRO HB2 . . 4.730 4.421 4.400 4.469 . 0 0 "[ . 1 . 2]" 2
1187 1 46 VAL H 1 47 PRO HG2 . . 4.670 4.538 4.515 4.557 . 0 0 "[ . 1 . 2]" 2
1188 1 46 VAL MG1 1 47 PRO HG2 . . 4.410 4.321 4.299 4.380 . 0 0 "[ . 1 . 2]" 2
1189 1 46 VAL H 1 47 PRO HG3 . . 5.120 4.910 4.887 4.930 . 0 0 "[ . 1 . 2]" 2
1190 1 45 ILE HA 1 47 PRO HD2 . . 4.470 3.755 3.682 3.793 . 0 0 "[ . 1 . 2]" 2
1191 1 48 TRP HA 1 51 GLN HB2 . . 4.360 2.994 2.859 3.139 . 0 0 "[ . 1 . 2]" 2
1192 1 48 TRP QB 1 56 PRO HG3 . . 4.750 3.779 3.707 3.837 . 0 0 "[ . 1 . 2]" 2
1193 1 45 ILE HG13 1 49 LEU HB3 . . 4.780 4.684 4.653 4.714 . 0 0 "[ . 1 . 2]" 2
1194 1 48 TRP QB 1 49 LEU MD1 . . 4.780 4.539 4.510 4.571 . 0 0 "[ . 1 . 2]" 2
1195 1 49 LEU MD1 1 55 CYS HA . . 5.500 5.338 5.204 5.440 . 0 0 "[ . 1 . 2]" 2
1196 1 49 LEU MD2 1 50 GLU H . . 4.760 4.507 4.477 4.537 . 0 0 "[ . 1 . 2]" 2
1197 1 49 LEU H 1 50 GLU HA . . 5.500 5.323 5.299 5.349 . 0 0 "[ . 1 . 2]" 2
1198 1 50 GLU HA 1 73 GLY H . . 5.500 4.911 3.644 5.501 0.001 20 0 "[ . 1 . 2]" 2
1199 1 50 GLU HA 1 72 PRO HA . . 4.420 3.605 2.784 4.334 . 0 0 "[ . 1 . 2]" 2
1200 1 49 LEU HB2 1 50 GLU HA . . 4.630 4.112 4.089 4.140 . 0 0 "[ . 1 . 2]" 2
1201 1 48 TRP HD1 1 52 HIS HB2 . . 4.250 3.877 3.772 3.957 . 0 0 "[ . 1 . 2]" 2
1202 1 54 SER HB3 1 62 LEU MD1 . . 4.940 4.119 3.876 4.456 . 0 0 "[ . 1 . 2]" 2
1203 1 54 SER HB3 1 62 LEU MD2 . . 5.380 4.608 4.434 4.741 . 0 0 "[ . 1 . 2]" 2
1204 1 55 CYS HA 1 57 VAL H . . 4.880 3.564 3.534 3.593 . 0 0 "[ . 1 . 2]" 2
1205 1 34 LEU MD2 1 55 CYS HA . . 4.390 3.971 3.865 4.165 . 0 0 "[ . 1 . 2]" 2
1206 1 40 PHE HZ 1 56 PRO HG3 . . 5.260 5.032 4.946 5.145 . 0 0 "[ . 1 . 2]" 2
1207 1 56 PRO HD3 1 57 VAL H . . 4.540 4.066 4.048 4.080 . 0 0 "[ . 1 . 2]" 2
1208 1 56 PRO HD3 1 57 VAL MG2 . . 4.960 4.871 4.835 4.905 . 0 0 "[ . 1 . 2]" 2
1209 1 40 PHE QD 1 56 PRO HD2 . . 4.570 3.956 3.925 4.009 . 0 0 "[ . 1 . 2]" 2
1210 1 56 PRO HD2 1 58 CYS H . . 4.910 4.874 4.746 4.977 0.067 17 0 "[ . 1 . 2]" 2
1211 1 56 PRO HG2 1 57 VAL HA . . 4.710 4.732 4.714 4.754 0.044 4 0 "[ . 1 . 2]" 2
1212 1 19 PRO HB2 1 57 VAL HA . . 4.790 4.796 4.750 4.826 0.036 17 0 "[ . 1 . 2]" 2
1213 1 55 CYS QB 1 57 VAL HB . . 4.650 4.113 4.077 4.170 . 0 0 "[ . 1 . 2]" 2
1214 1 57 VAL HB 1 58 CYS H . . 3.420 2.149 1.971 2.367 . 0 0 "[ . 1 . 2]" 2
1215 1 45 ILE MD 1 57 VAL MG2 . . 4.730 4.710 4.651 4.742 0.012 6 0 "[ . 1 . 2]" 2
1216 1 57 VAL H 1 57 VAL MG1 . . 3.810 3.821 3.809 3.838 0.028 10 0 "[ . 1 . 2]" 2
1217 1 40 PHE HZ 1 57 VAL MG1 . . 4.520 4.006 3.942 4.047 . 0 0 "[ . 1 . 2]" 2
1218 1 19 PRO HG3 1 57 VAL MG1 . . 4.550 4.329 4.281 4.378 . 0 0 "[ . 1 . 2]" 2
1219 1 19 PRO HG2 1 57 VAL MG1 . . 5.300 5.235 5.163 5.284 . 0 0 "[ . 1 . 2]" 2
1220 1 58 CYS H 1 59 ARG HA . . 4.490 4.329 4.199 4.495 0.005 17 0 "[ . 1 . 2]" 2
1221 1 32 ARG HG3 1 40 PHE HB2 . . 5.440 5.175 5.124 5.215 . 0 0 "[ . 1 . 2]" 2
1222 1 32 ARG HG2 1 42 ASP HA . . 5.160 4.968 4.925 5.014 . 0 0 "[ . 1 . 2]" 2
1223 1 19 PRO HG2 1 56 PRO HG3 . . 4.390 4.235 4.173 4.307 . 0 0 "[ . 1 . 2]" 2
1224 1 18 CYS HA 1 19 PRO HG3 . . 4.490 4.321 4.319 4.326 . 0 0 "[ . 1 . 2]" 2
1225 1 18 CYS HA 1 19 PRO HG2 . . 4.320 4.238 4.231 4.254 . 0 0 "[ . 1 . 2]" 2
1226 1 19 PRO HG2 1 40 PHE HZ . . 4.590 4.162 4.129 4.190 . 0 0 "[ . 1 . 2]" 2
1227 1 56 PRO HA 1 59 ARG HD3 . . 4.590 3.490 2.580 4.695 0.105 17 0 "[ . 1 . 2]" 2
1228 1 56 PRO HA 1 59 ARG HD2 . . 4.590 3.646 3.348 4.366 . 0 0 "[ . 1 . 2]" 2
1229 1 48 TRP QB 1 48 TRP HZ3 . . 4.860 4.844 4.816 4.865 0.005 17 0 "[ . 1 . 2]" 2
1230 1 48 TRP HA 1 48 TRP HZ3 . . 5.410 5.072 4.996 5.181 . 0 0 "[ . 1 . 2]" 2
1231 1 29 GLU HB2 1 31 VAL MG2 . . 4.770 4.504 4.379 4.650 . 0 0 "[ . 1 . 2]" 2
1232 1 48 TRP HZ2 1 52 HIS HD2 . . 4.880 4.697 4.485 4.890 0.010 17 0 "[ . 1 . 2]" 2
1233 1 48 TRP HZ2 1 59 ARG HD3 . . 5.250 3.955 2.540 5.274 0.024 8 0 "[ . 1 . 2]" 2
1234 1 38 HIS HE1 1 57 VAL HB . . 4.360 4.138 3.998 4.201 . 0 0 "[ . 1 . 2]" 2
1235 1 40 PHE HZ 1 56 PRO HD3 . . 5.160 5.017 4.962 5.094 . 0 0 "[ . 1 . 2]" 2
1236 1 14 SER HA 1 15 GLY HA2 . . 5.090 4.450 4.391 4.726 . 0 0 "[ . 1 . 2]" 2
1237 1 62 LEU HB2 1 63 THR HB . . 4.840 4.304 4.054 4.596 . 0 0 "[ . 1 . 2]" 2
1238 1 11 HIS HB2 1 16 LEU MD2 . . 5.140 4.232 3.557 4.999 . 0 0 "[ . 1 . 2]" 2
1239 1 11 HIS HB3 1 16 LEU MD2 . . 5.140 4.462 3.001 4.907 . 0 0 "[ . 1 . 2]" 2
1240 1 11 HIS HB3 1 12 VAL H . . 4.730 4.294 3.580 4.569 . 0 0 "[ . 1 . 2]" 2
1241 1 11 HIS HB2 1 12 VAL H . . 4.730 4.551 4.397 4.622 . 0 0 "[ . 1 . 2]" 2
1242 1 14 SER HA 1 16 LEU H . . 5.310 4.334 3.977 5.315 0.005 11 0 "[ . 1 . 2]" 2
1243 1 55 CYS QB 1 60 LYS H . . 3.560 1.862 1.832 1.891 . 0 0 "[ . 1 . 2]" 2
1244 1 16 LEU HB2 1 16 LEU MD2 . . 3.430 2.251 2.204 2.303 . 0 0 "[ . 1 . 2]" 2
1245 1 16 LEU HB3 1 16 LEU MD2 . . 2.780 2.363 2.315 2.408 . 0 0 "[ . 1 . 2]" 2
1246 1 17 GLU HA 1 18 CYS HA . . 4.380 4.318 4.313 4.322 . 0 0 "[ . 1 . 2]" 2
1247 1 18 CYS HB2 1 20 VAL H . . 4.610 4.454 4.417 4.486 . 0 0 "[ . 1 . 2]" 2
1248 1 19 PRO HB2 1 56 PRO HG2 . . 4.540 4.251 4.181 4.308 . 0 0 "[ . 1 . 2]" 2
1249 1 19 PRO HB3 1 20 VAL MG2 . . 4.900 4.897 4.885 4.912 0.012 11 0 "[ . 1 . 2]" 2
1250 1 19 PRO HG3 1 20 VAL MG2 . . 4.600 4.074 4.063 4.087 . 0 0 "[ . 1 . 2]" 2
1251 1 20 VAL HA 1 22 LYS HG2 . . 5.160 4.680 4.626 4.706 . 0 0 "[ . 1 . 2]" 2
1252 1 20 VAL HA 1 56 PRO HG2 . . 5.500 4.765 4.688 4.843 . 0 0 "[ . 1 . 2]" 2
1253 1 22 LYS HB2 1 22 LYS HD3 . . 3.810 3.733 3.722 3.751 . 0 0 "[ . 1 . 2]" 2
1254 1 22 LYS HB3 1 22 LYS HD3 . . 3.810 2.655 2.630 2.689 . 0 0 "[ . 1 . 2]" 2
1255 1 23 GLU HB3 1 24 ASP H . . 3.610 2.570 2.548 2.586 . 0 0 "[ . 1 . 2]" 2
1256 1 23 GLU HB3 1 41 HIS HE1 . . 4.060 4.096 4.082 4.111 0.051 14 0 "[ . 1 . 2]" 2
1257 1 30 SER HB2 1 42 ASP HB3 . . 3.820 3.797 3.748 3.826 0.006 13 0 "[ . 1 . 2]" 2
1258 1 30 SER HB3 1 31 VAL H . . 4.420 4.370 4.325 4.415 . 0 0 "[ . 1 . 2]" 2
1259 1 30 SER HB2 1 42 ASP H . . 5.490 5.411 5.380 5.435 . 0 0 "[ . 1 . 2]" 2
1260 1 31 VAL HA 1 31 VAL MG1 . . 2.940 2.183 2.145 2.203 . 0 0 "[ . 1 . 2]" 2
1261 1 31 VAL MG2 1 40 PHE H . . 5.470 5.342 5.300 5.368 . 0 0 "[ . 1 . 2]" 2
1262 1 31 VAL HA 1 31 VAL MG2 . . 3.190 3.138 3.132 3.141 . 0 0 "[ . 1 . 2]" 2
1263 1 33 GLN HG3 1 39 LEU HA . . 4.390 3.449 3.428 3.470 . 0 0 "[ . 1 . 2]" 2
1264 1 31 VAL HA 1 32 ARG HB3 . . 4.530 4.167 4.156 4.174 . 0 0 "[ . 1 . 2]" 2
1265 1 32 ARG HD3 1 49 LEU MD1 . . 3.960 3.092 2.981 3.193 . 0 0 "[ . 1 . 2]" 2
1266 1 32 ARG HD2 1 49 LEU MD1 . . 4.120 4.060 3.984 4.133 0.013 20 0 "[ . 1 . 2]" 2
1267 1 33 GLN HG2 1 39 LEU HA . . 5.100 5.008 4.987 5.028 . 0 0 "[ . 1 . 2]" 2
1268 1 34 LEU MD2 1 38 HIS HB2 . . 5.110 4.968 4.906 5.056 . 0 0 "[ . 1 . 2]" 2
1269 1 34 LEU HA 1 34 LEU MD2 . . 2.770 1.908 1.899 1.925 . 0 0 "[ . 1 . 2]" 2
1270 1 34 LEU MD2 1 38 HIS H . . 5.270 5.201 5.177 5.222 . 0 0 "[ . 1 . 2]" 2
1271 1 35 PRO HG2 1 62 LEU HB3 . . 4.710 4.236 4.097 4.410 . 0 0 "[ . 1 . 2]" 2
1272 1 31 VAL MG1 1 40 PHE HA . . 4.870 4.219 4.178 4.269 . 0 0 "[ . 1 . 2]" 2
1273 1 41 HIS HB3 1 42 ASP HB3 . . 5.130 4.844 4.821 4.863 . 0 0 "[ . 1 . 2]" 2
1274 1 44 CYS HA 1 46 VAL H . . 5.020 4.882 4.849 4.909 . 0 0 "[ . 1 . 2]" 2
1275 1 44 CYS HB2 1 46 VAL H . . 5.300 5.159 5.128 5.190 . 0 0 "[ . 1 . 2]" 2
1276 1 32 ARG HB2 1 45 ILE MG . . 3.460 3.260 3.206 3.316 . 0 0 "[ . 1 . 2]" 2
1277 1 46 VAL HA 1 49 LEU MD1 . . 3.490 3.383 3.284 3.466 . 0 0 "[ . 1 . 2]" 2
1278 1 46 VAL HB 1 47 PRO HD3 . . 2.710 1.947 1.937 1.965 . 0 0 "[ . 1 . 2]" 2
1279 1 45 ILE HA 1 48 TRP HA . . 5.070 4.850 4.823 4.891 . 0 0 "[ . 1 . 2]" 2
1280 1 47 PRO HG2 1 48 TRP QB . . 4.870 3.635 3.604 3.662 . 0 0 "[ . 1 . 2]" 2
1281 1 46 VAL MG1 1 50 GLU HB2 . . 4.970 4.106 4.018 4.174 . 0 0 "[ . 1 . 2]" 2
1282 1 50 GLU H 1 51 GLN HA . . 5.450 5.200 5.166 5.235 . 0 0 "[ . 1 . 2]" 2
1283 1 54 SER HB3 1 62 LEU H . . 4.760 4.228 3.900 4.499 . 0 0 "[ . 1 . 2]" 2
1284 1 40 PHE HZ 1 55 CYS HA . . 4.640 4.483 4.366 4.574 . 0 0 "[ . 1 . 2]" 2
1285 1 55 CYS QB 1 57 VAL MG1 . . 5.140 4.999 4.968 5.054 . 0 0 "[ . 1 . 2]" 2
1286 1 55 CYS QB 1 62 LEU HG . . 5.500 4.363 4.235 4.561 . 0 0 "[ . 1 . 2]" 2
1287 1 34 LEU HG 1 55 CYS QB . . 5.250 4.703 4.582 4.777 . 0 0 "[ . 1 . 2]" 2
1288 1 55 CYS HA 1 56 PRO HB3 . . 5.130 4.857 4.846 4.869 . 0 0 "[ . 1 . 2]" 2
1289 1 56 PRO HG3 1 57 VAL H . . 4.800 4.663 4.628 4.690 . 0 0 "[ . 1 . 2]" 2
1290 1 55 CYS HA 1 56 PRO HG2 . . 4.410 4.216 4.193 4.240 . 0 0 "[ . 1 . 2]" 2
1291 1 40 PHE QE 1 56 PRO HG2 . . 3.730 2.017 1.978 2.119 . 0 0 "[ . 1 . 2]" 2
1292 1 56 PRO HD2 1 57 VAL HB . . 4.690 4.509 4.477 4.533 . 0 0 "[ . 1 . 2]" 2
1293 1 45 ILE HG13 1 56 PRO HD3 . . 4.660 4.247 4.120 4.476 . 0 0 "[ . 1 . 2]" 2
1294 1 59 ARG H 1 59 ARG HD3 . . 4.440 3.324 2.305 4.213 . 0 0 "[ . 1 . 2]" 2
1295 1 60 LYS HA 1 61 SER HB3 . . 5.080 4.726 4.245 5.020 . 0 0 "[ . 1 . 2]" 2
1296 1 60 LYS HB2 1 61 SER H . . 4.920 4.493 4.320 4.584 . 0 0 "[ . 1 . 2]" 2
1297 1 60 LYS HB3 1 61 SER H . . 4.920 3.818 3.367 4.426 . 0 0 "[ . 1 . 2]" 2
1298 1 60 LYS H 1 60 LYS QE . . 5.500 5.000 4.281 5.586 0.086 14 0 "[ . 1 . 2]" 2
1299 1 55 CYS H 1 62 LEU MD1 . . 4.600 3.465 3.137 3.946 . 0 0 "[ . 1 . 2]" 2
1300 1 35 PRO HG3 1 62 LEU MD1 . . 4.800 4.250 4.050 4.343 . 0 0 "[ . 1 . 2]" 2
1301 1 34 LEU HB2 1 62 LEU MD1 . . 5.500 5.447 5.279 5.512 0.012 20 0 "[ . 1 . 2]" 2
1302 1 45 ILE MD 1 62 LEU MD1 . . 4.740 4.376 4.228 4.592 . 0 0 "[ . 1 . 2]" 2
1303 1 71 PRO HA 1 72 PRO HD2 . . 3.290 2.252 1.978 2.562 . 0 0 "[ . 1 . 2]" 2
1304 1 71 PRO HA 1 72 PRO HD3 . . 3.290 2.302 2.262 2.382 . 0 0 "[ . 1 . 2]" 2
1305 1 16 LEU HG 1 17 GLU H . . 4.540 3.908 3.747 3.968 . 0 0 "[ . 1 . 2]" 2
1306 1 38 HIS HB3 1 40 PHE QD . . 4.700 3.978 3.957 3.990 . 0 0 "[ . 1 . 2]" 2
1307 1 40 PHE QD 1 44 CYS HB3 . . 5.150 4.876 4.721 4.941 . 0 0 "[ . 1 . 2]" 2
1308 1 40 PHE QD 1 56 PRO HG3 . . 4.770 3.199 3.099 3.409 . 0 0 "[ . 1 . 2]" 2
1309 1 34 LEU HG 1 40 PHE QD . . 3.620 2.480 2.388 2.556 . 0 0 "[ . 1 . 2]" 2
1310 1 40 PHE QE 1 55 CYS HA . . 4.820 4.477 4.387 4.531 . 0 0 "[ . 1 . 2]" 2
1311 1 40 PHE QE 1 57 VAL HB . . 4.570 3.675 3.620 3.715 . 0 0 "[ . 1 . 2]" 2
1312 1 40 PHE QE 1 45 ILE MD . . 4.410 3.669 3.612 3.718 . 0 0 "[ . 1 . 2]" 2
1313 1 25 TYR QE 1 40 PHE H . . 4.870 4.176 4.104 4.289 . 0 0 "[ . 1 . 2]" 2
1314 1 48 TRP HD1 1 52 HIS HD2 . . 4.750 4.362 4.166 4.528 . 0 0 "[ . 1 . 2]" 2
1315 1 48 TRP HZ3 1 52 HIS HD2 . . 5.410 4.468 4.166 4.662 . 0 0 "[ . 1 . 2]" 2
1316 1 45 ILE HG12 1 48 TRP HD1 . . 5.140 4.753 4.609 4.895 . 0 0 "[ . 1 . 2]" 2
1317 1 20 VAL MG2 1 48 TRP HE3 . . 5.140 5.062 4.994 5.152 0.012 7 0 "[ . 1 . 2]" 2
1318 1 48 TRP HH2 1 56 PRO HA . . 4.540 3.971 3.600 4.295 . 0 0 "[ . 1 . 2]" 2
1319 1 54 SER HB2 1 55 CYS QB . . 4.900 4.759 4.612 4.881 . 0 0 "[ . 1 . 2]" 2
1320 1 55 CYS QB 1 56 PRO HD2 . . 4.150 3.577 3.514 3.644 . 0 0 "[ . 1 . 2]" 2
1321 1 25 TYR QD 1 41 HIS HE1 . . 4.650 4.210 4.102 4.291 . 0 0 "[ . 1 . 2]" 2
1322 1 25 TYR QE 1 41 HIS HE1 . . 4.760 4.612 4.434 4.739 . 0 0 "[ . 1 . 2]" 2
1323 1 11 HIS HA 1 11 HIS HD2 . . 4.620 2.860 2.134 4.411 . 0 0 "[ . 1 . 2]" 2
1324 1 38 HIS HE1 1 58 CYS H . . 4.640 4.142 3.843 4.400 . 0 0 "[ . 1 . 2]" 2
1325 1 21 CYS H 1 41 HIS HE1 . . 5.260 4.975 4.939 5.004 . 0 0 "[ . 1 . 2]" 2
1326 1 24 ASP H 1 41 HIS HE1 . . 4.430 2.398 2.359 2.437 . 0 0 "[ . 1 . 2]" 2
1327 1 23 GLU HG3 1 41 HIS HE1 . . 4.320 4.329 4.322 4.337 0.017 2 0 "[ . 1 . 2]" 2
1328 1 54 SER HB2 1 61 SER HA . . 5.500 5.356 5.212 5.463 . 0 0 "[ . 1 . 2]" 2
1329 1 8 THR HB 1 9 GLU H . . 4.580 4.134 3.185 4.588 0.008 19 0 "[ . 1 . 2]" 2
1330 1 51 GLN HB3 1 52 HIS HE1 . . 4.740 4.564 4.455 4.639 . 0 0 "[ . 1 . 2]" 2
1331 1 51 GLN HB2 1 52 HIS HE1 . . 5.500 5.418 5.285 5.507 0.007 4 0 "[ . 1 . 2]" 2
1332 1 48 TRP HZ2 1 52 HIS HE1 . . 4.920 4.891 4.739 4.938 0.018 8 0 "[ . 1 . 2]" 2
1333 1 35 PRO HD2 1 62 LEU HA . . 4.900 4.841 4.592 4.924 0.024 14 0 "[ . 1 . 2]" 2
1334 1 34 LEU HB2 1 40 PHE QD . . 4.670 3.858 3.791 3.949 . 0 0 "[ . 1 . 2]" 2
1335 1 63 THR MG 1 64 GLY HA3 . . 4.930 4.359 3.805 4.900 . 0 0 "[ . 1 . 2]" 2
1336 1 34 LEU HB3 1 35 PRO HA . . 5.000 4.717 4.712 4.729 . 0 0 "[ . 1 . 2]" 2
1337 1 34 LEU HB3 1 34 LEU MD2 . . 3.450 2.429 2.378 2.448 . 0 0 "[ . 1 . 2]" 2
1338 1 16 LEU HB3 1 17 GLU H . . 4.700 4.461 4.435 4.475 . 0 0 "[ . 1 . 2]" 2
1339 1 34 LEU HB3 1 34 LEU MD1 . . 3.430 2.325 2.311 2.372 . 0 0 "[ . 1 . 2]" 2
1340 1 45 ILE MD 1 48 TRP HE1 . . 4.120 3.960 3.819 4.046 . 0 0 "[ . 1 . 2]" 2
1341 1 19 PRO HB3 1 40 PHE QD . . 5.100 4.877 4.869 4.886 . 0 0 "[ . 1 . 2]" 2
1342 1 25 TYR HB3 1 41 HIS HD2 . . 4.880 4.781 4.705 4.826 . 0 0 "[ . 1 . 2]" 2
1343 1 25 TYR QD 1 41 HIS H . . 4.930 4.762 4.721 4.813 . 0 0 "[ . 1 . 2]" 2
1344 1 18 CYS HB3 1 25 TYR QD . . 4.510 4.351 4.243 4.430 . 0 0 "[ . 1 . 2]" 2
1345 1 25 TYR QD 1 31 VAL HB . . 4.920 4.586 4.557 4.658 . 0 0 "[ . 1 . 2]" 2
1346 1 25 TYR QD 1 39 LEU QB . . 4.620 4.358 4.302 4.417 . 0 0 "[ . 1 . 2]" 2
1347 1 13 GLY QA 1 25 TYR QD . . 4.740 4.236 3.978 4.642 . 0 0 "[ . 1 . 2]" 2
1348 1 17 GLU HA 1 25 TYR QD . . 4.400 3.803 3.757 3.829 . 0 0 "[ . 1 . 2]" 2
1349 1 25 TYR QD 1 41 HIS HA . . 4.540 3.941 3.904 4.005 . 0 0 "[ . 1 . 2]" 2
1350 1 25 TYR QD 1 29 GLU HB3 . . 4.670 3.918 3.788 3.994 . 0 0 "[ . 1 . 2]" 2
1351 1 25 TYR QD 1 29 GLU HB2 . . 4.630 4.465 4.386 4.565 . 0 0 "[ . 1 . 2]" 2
1352 1 19 PRO HG3 1 38 HIS HD2 . . 5.500 5.446 5.350 5.502 0.002 15 0 "[ . 1 . 2]" 2
1353 1 63 THR HA 1 63 THR MG . . 3.290 3.199 3.187 3.206 . 0 0 "[ . 1 . 2]" 2
1354 1 47 PRO HA 1 50 GLU HB2 . . 3.170 2.777 2.707 2.874 . 0 0 "[ . 1 . 2]" 2
1355 1 40 PHE HB3 1 45 ILE HA . . 4.630 4.052 4.002 4.087 . 0 0 "[ . 1 . 2]" 2
1356 1 35 PRO HG2 1 37 ASN H . . 5.500 5.493 5.472 5.508 0.008 6 0 "[ . 1 . 2]" 2
1357 1 37 ASN HB3 1 38 HIS H . . 4.790 4.594 4.585 4.600 . 0 0 "[ . 1 . 2]" 2
1358 1 56 PRO HA 1 57 VAL MG2 . . 4.780 4.477 4.421 4.516 . 0 0 "[ . 1 . 2]" 2
1359 1 54 SER HB3 1 55 CYS HA . . 5.260 4.806 4.728 4.936 . 0 0 "[ . 1 . 2]" 2
1360 1 29 GLU HB2 1 31 VAL MG1 . . 4.210 3.881 3.815 3.973 . 0 0 "[ . 1 . 2]" 2
1361 1 67 THR HB 1 68 ALA H . . 4.910 3.425 2.068 4.340 . 0 0 "[ . 1 . 2]" 2
1362 1 69 THR HB 1 70 ASN H . . 4.830 3.678 2.117 4.443 . 0 0 "[ . 1 . 2]" 2
1363 1 62 LEU HB2 1 63 THR HA . . 5.160 4.875 4.360 5.111 . 0 0 "[ . 1 . 2]" 2
1364 1 62 LEU HB3 1 63 THR HA . . 5.500 4.994 4.796 5.078 . 0 0 "[ . 1 . 2]" 2
1365 1 25 TYR QE 1 39 LEU HG . . 5.140 5.135 5.091 5.166 0.026 11 0 "[ . 1 . 2]" 2
1366 1 49 LEU HB3 1 49 LEU MD1 . . 3.040 2.293 2.257 2.337 . 0 0 "[ . 1 . 2]" 2
1367 1 15 GLY HA2 1 16 LEU HA . . 4.910 4.460 4.405 4.507 . 0 0 "[ . 1 . 2]" 2
1368 1 16 LEU HA 1 39 LEU MD1 . . 5.500 4.964 4.842 5.077 . 0 0 "[ . 1 . 2]" 2
1369 1 38 HIS HA 1 39 LEU MD1 . . 5.500 4.804 4.741 4.836 . 0 0 "[ . 1 . 2]" 2
1370 1 16 LEU HG 1 25 TYR QE . . 5.480 4.957 4.820 5.159 . 0 0 "[ . 1 . 2]" 2
1371 1 16 LEU HG 1 25 TYR QD . . 4.950 4.124 4.048 4.240 . 0 0 "[ . 1 . 2]" 2
1372 1 17 GLU HA 1 23 GLU H . . 5.000 5.012 4.977 5.031 0.031 20 0 "[ . 1 . 2]" 2
1373 1 17 GLU HB2 1 18 CYS HB3 . . 4.570 4.539 4.475 4.561 . 0 0 "[ . 1 . 2]" 2
1374 1 19 PRO HB2 1 40 PHE HZ . . 5.370 5.260 5.221 5.310 . 0 0 "[ . 1 . 2]" 2
1375 1 18 CYS HA 1 19 PRO HB3 . . 4.880 4.847 4.843 4.851 . 0 0 "[ . 1 . 2]" 2
1376 1 21 CYS HB2 1 22 LYS HA . . 5.500 5.483 5.447 5.508 0.008 9 0 "[ . 1 . 2]" 2
1377 1 21 CYS HB2 1 24 ASP H . . 5.500 5.533 5.517 5.546 0.046 19 0 "[ . 1 . 2]" 2
1378 1 24 ASP HA 1 25 TYR QD . . 4.730 4.631 4.592 4.667 . 0 0 "[ . 1 . 2]" 2
1379 1 24 ASP QB 1 26 ALA MB . . 5.190 5.060 4.715 5.198 0.008 11 0 "[ . 1 . 2]" 2
1380 1 25 TYR QD 1 26 ALA MB . . 5.170 4.930 4.875 4.986 . 0 0 "[ . 1 . 2]" 2
1381 1 12 VAL MG1 1 14 SER HB3 . . 5.000 4.074 3.508 4.710 . 0 0 "[ . 1 . 2]" 2
1382 1 13 GLY QA 1 16 LEU HB3 . . 4.790 4.656 4.055 4.807 0.017 7 0 "[ . 1 . 2]" 2
1383 1 12 VAL HB 1 13 GLY QA . . 5.500 5.302 5.169 5.432 . 0 0 "[ . 1 . 2]" 2
1384 1 13 GLY QA 1 14 SER HA . . 4.210 4.061 4.007 4.175 . 0 0 "[ . 1 . 2]" 2
1385 1 12 VAL MG1 1 14 SER HB2 . . 5.000 2.977 2.371 3.339 . 0 0 "[ . 1 . 2]" 2
1386 1 29 GLU HA 1 41 HIS HD2 . . 5.390 5.390 5.324 5.411 0.021 3 0 "[ . 1 . 2]" 2
1387 1 29 GLU HB3 1 31 VAL MG2 . . 4.710 4.348 4.189 4.497 . 0 0 "[ . 1 . 2]" 2
1388 1 25 TYR HA 1 29 GLU HB3 . . 4.730 3.872 3.753 3.923 . 0 0 "[ . 1 . 2]" 2
1389 1 26 ALA H 1 29 GLU HB3 . . 4.110 3.358 3.254 3.469 . 0 0 "[ . 1 . 2]" 2
1390 1 29 GLU HA 1 31 VAL MG2 . . 5.500 5.413 5.313 5.503 0.003 11 0 "[ . 1 . 2]" 2
1391 1 32 ARG HG3 1 34 LEU MD2 . . 3.820 3.474 3.402 3.624 . 0 0 "[ . 1 . 2]" 2
1392 1 32 ARG HB3 1 45 ILE HB . . 4.800 3.836 3.802 3.898 . 0 0 "[ . 1 . 2]" 2
1393 1 32 ARG HG3 1 45 ILE HG12 . . 4.900 4.700 4.612 4.804 . 0 0 "[ . 1 . 2]" 2
1394 1 32 ARG HA 1 33 GLN HA . . 4.800 4.375 4.374 4.376 . 0 0 "[ . 1 . 2]" 2
1395 1 34 LEU HB2 1 38 HIS HB2 . . 4.630 2.504 2.459 2.579 . 0 0 "[ . 1 . 2]" 2
1396 1 42 ASP HB2 1 45 ILE MG . . 5.110 4.558 4.499 4.639 . 0 0 "[ . 1 . 2]" 2
1397 1 34 LEU HB2 1 36 CYS HB2 . . 5.460 5.232 5.192 5.306 . 0 0 "[ . 1 . 2]" 2
1398 1 34 LEU HG 1 45 ILE MD . . 4.700 3.727 3.627 3.799 . 0 0 "[ . 1 . 2]" 2
1399 1 33 GLN HA 1 34 LEU MD2 . . 4.930 4.643 4.606 4.757 . 0 0 "[ . 1 . 2]" 2
1400 1 34 LEU MD2 1 40 PHE QE . . 4.160 4.121 4.072 4.168 0.008 9 0 "[ . 1 . 2]" 2
1401 1 48 TRP HD1 1 49 LEU MD2 . . 3.030 1.915 1.847 1.997 . 0 0 "[ . 1 . 2]" 2
1402 1 34 LEU HB3 1 55 CYS QB . . 5.010 3.750 3.599 3.829 . 0 0 "[ . 1 . 2]" 2
1403 1 35 PRO HG2 1 36 CYS HB2 . . 5.500 5.571 5.550 5.586 0.086 14 0 "[ . 1 . 2]" 2
1404 1 36 CYS HB3 1 38 HIS H . . 5.430 5.178 5.076 5.269 . 0 0 "[ . 1 . 2]" 2
1405 1 34 LEU HB2 1 38 HIS HB3 . . 4.820 3.750 3.710 3.785 . 0 0 "[ . 1 . 2]" 2
1406 1 38 HIS HB3 1 57 VAL MG1 . . 4.830 4.500 4.397 4.576 . 0 0 "[ . 1 . 2]" 2
1407 1 33 GLN H 1 39 LEU MD2 . . 3.990 2.910 2.877 2.939 . 0 0 "[ . 1 . 2]" 2
1408 1 40 PHE HB2 1 45 ILE HA . . 4.630 4.194 4.173 4.227 . 0 0 "[ . 1 . 2]" 2
1409 1 19 PRO HG2 1 40 PHE HA . . 4.810 4.390 4.342 4.435 . 0 0 "[ . 1 . 2]" 2
1410 1 40 PHE HZ 1 57 VAL H . . 4.830 3.723 3.659 3.768 . 0 0 "[ . 1 . 2]" 2
1411 1 19 PRO HA 1 40 PHE QD . . 5.500 5.525 5.518 5.545 0.045 6 0 "[ . 1 . 2]" 2
1412 1 40 PHE QD 1 55 CYS HA . . 5.500 5.353 5.287 5.398 . 0 0 "[ . 1 . 2]" 2
1413 1 40 PHE QD 1 45 ILE HA . . 5.050 4.887 4.868 4.909 . 0 0 "[ . 1 . 2]" 2
1414 1 18 CYS HA 1 40 PHE QD . . 4.860 4.503 4.463 4.537 . 0 0 "[ . 1 . 2]" 2
1415 1 40 PHE QD 1 44 CYS HB2 . . 5.090 4.824 4.792 4.849 . 0 0 "[ . 1 . 2]" 2
1416 1 31 VAL MG1 1 41 HIS HA . . 4.510 2.641 2.593 2.682 . 0 0 "[ . 1 . 2]" 2
1417 1 31 VAL HB 1 41 HIS HA . . 4.920 4.578 4.519 4.683 . 0 0 "[ . 1 . 2]" 2
1418 1 45 ILE HG12 1 55 CYS HA . . 5.250 5.127 5.040 5.238 . 0 0 "[ . 1 . 2]" 2
1419 1 45 ILE MG 1 47 PRO HD3 . . 4.760 4.642 4.613 4.664 . 0 0 "[ . 1 . 2]" 2
1420 1 47 PRO HD2 1 49 LEU H . . 4.950 4.867 4.837 4.899 . 0 0 "[ . 1 . 2]" 2
1421 1 44 CYS H 1 47 PRO HD3 . . 4.990 4.564 4.524 4.605 . 0 0 "[ . 1 . 2]" 2
1422 1 45 ILE MD 1 48 TRP HA . . 5.240 4.912 4.845 5.007 . 0 0 "[ . 1 . 2]" 2
1423 1 48 TRP HA 1 51 GLN HB3 . . 4.800 4.550 4.348 4.725 . 0 0 "[ . 1 . 2]" 2
1424 1 48 TRP HD1 1 49 LEU HB2 . . 5.090 4.931 4.742 5.056 . 0 0 "[ . 1 . 2]" 2
1425 1 45 ILE MD 1 48 TRP HE3 . . 5.340 5.117 5.008 5.174 . 0 0 "[ . 1 . 2]" 2
1426 1 20 VAL MG1 1 48 TRP HE3 . . 4.680 4.017 3.907 4.106 . 0 0 "[ . 1 . 2]" 2
1427 1 45 ILE HA 1 48 TRP HE3 . . 5.500 5.484 5.428 5.518 0.018 7 0 "[ . 1 . 2]" 2
1428 1 48 TRP QB 1 49 LEU HB3 . . 5.420 5.333 5.295 5.395 . 0 0 "[ . 1 . 2]" 2
1429 1 50 GLU HB2 1 51 GLN HA . . 4.940 4.925 4.801 4.974 0.034 18 0 "[ . 1 . 2]" 2
1430 1 40 PHE QE 1 56 PRO HB2 . . 5.240 3.911 3.828 4.057 . 0 0 "[ . 1 . 2]" 2
1431 1 56 PRO HG2 1 57 VAL H . . 4.470 3.406 3.360 3.440 . 0 0 "[ . 1 . 2]" 2
1432 1 40 PHE HZ 1 56 PRO HG2 . . 4.250 3.663 3.579 3.785 . 0 0 "[ . 1 . 2]" 2
1433 1 45 ILE MD 1 56 PRO HG2 . . 3.630 3.167 3.084 3.286 . 0 0 "[ . 1 . 2]" 2
1434 1 40 PHE QD 1 56 PRO HD3 . . 4.930 4.683 4.625 4.802 . 0 0 "[ . 1 . 2]" 2
1435 1 48 TRP HZ2 1 59 ARG HD2 . . 5.250 3.908 3.515 4.823 . 0 0 "[ . 1 . 2]" 2
1436 1 11 HIS HA 1 12 VAL MG1 . . 4.600 4.074 3.673 4.329 . 0 0 "[ . 1 . 2]" 2
1437 1 12 VAL H 1 12 VAL MG2 . . 4.350 3.795 3.762 3.871 . 0 0 "[ . 1 . 2]" 2
1438 1 35 PRO HD2 1 62 LEU HB3 . . 4.750 4.410 4.271 4.520 . 0 0 "[ . 1 . 2]" 2
1439 1 63 THR MG 1 64 GLY HA2 . . 4.930 3.915 3.296 4.389 . 0 0 "[ . 1 . 2]" 2
1440 1 45 ILE HA 1 49 LEU HG . . 4.860 3.631 3.581 3.709 . 0 0 "[ . 1 . 2]" 2
1441 1 50 GLU HA 1 52 HIS H . . 5.000 4.838 4.709 4.993 . 0 0 "[ . 1 . 2]" 2
1442 1 13 GLY QA 1 16 LEU MD1 . . 3.850 1.982 1.913 2.384 . 0 0 "[ . 1 . 2]" 2
1443 1 46 VAL MG2 1 48 TRP H . . 5.450 5.159 5.109 5.212 . 0 0 "[ . 1 . 2]" 2
1444 1 44 CYS H 1 46 VAL MG2 . . 5.180 4.960 4.896 4.990 . 0 0 "[ . 1 . 2]" 2
1445 1 32 ARG HB3 1 40 PHE QD . . 5.050 4.864 4.833 4.882 . 0 0 "[ . 1 . 2]" 2
1446 1 27 LEU HA 1 31 VAL MG2 . . 5.330 4.901 4.804 5.049 . 0 0 "[ . 1 . 2]" 2
1447 1 27 LEU HA 1 29 GLU HB2 . . 5.490 5.299 5.228 5.340 . 0 0 "[ . 1 . 2]" 2
1448 1 27 LEU MD1 1 28 GLY H . . 4.730 3.873 3.076 4.512 . 0 0 "[ . 1 . 2]" 2
1449 1 48 TRP HD1 1 62 LEU MD1 . . 5.140 4.472 4.362 4.717 . 0 0 "[ . 1 . 2]" 2
1450 1 11 HIS HD2 1 16 LEU MD2 . . 4.550 2.186 1.799 3.631 . 0 0 "[ . 1 . 2]" 2
1451 1 19 PRO HD2 1 45 ILE MD . . 5.300 5.124 5.033 5.204 . 0 0 "[ . 1 . 2]" 2
1452 1 38 HIS HA 1 39 LEU MD2 . . 5.500 5.585 5.574 5.598 0.098 10 0 "[ . 1 . 2]" 2
1453 1 55 CYS QB 1 57 VAL HA . . 5.500 5.530 5.500 5.562 0.062 19 0 "[ . 1 . 2]" 2
1454 1 33 GLN HB2 1 40 PHE H . . 5.450 5.325 5.305 5.342 . 0 0 "[ . 1 . 2]" 2
1455 1 15 GLY HA2 1 16 LEU MD1 . . 4.400 4.125 4.040 4.266 . 0 0 "[ . 1 . 2]" 2
1456 1 12 VAL HA 1 16 LEU MD2 . . 5.490 4.736 4.180 5.184 . 0 0 "[ . 1 . 2]" 2
1457 1 16 LEU MD2 1 17 GLU HA . . 5.500 5.120 5.073 5.168 . 0 0 "[ . 1 . 2]" 2
1458 1 10 GLU HA 1 10 GLU HG3 . . 3.960 3.101 2.299 3.817 . 0 0 "[ . 1 . 2]" 2
1459 1 10 GLU HA 1 10 GLU HG2 . . 3.960 3.096 2.425 3.894 . 0 0 "[ . 1 . 2]" 2
1460 1 11 HIS HD2 1 31 VAL MG2 . . 5.000 4.709 2.600 5.010 0.010 11 0 "[ . 1 . 2]" 2
1461 1 11 HIS HE1 1 16 LEU MD2 . . 5.340 4.482 2.589 5.195 . 0 0 "[ . 1 . 2]" 2
1462 1 13 GLY QA 1 15 GLY H . . 5.090 4.564 3.589 4.938 . 0 0 "[ . 1 . 2]" 2
1463 1 13 GLY QA 1 16 LEU H . . 4.600 3.885 3.657 4.083 . 0 0 "[ . 1 . 2]" 2
1464 1 13 GLY QA 1 16 LEU HB2 . . 4.850 4.674 4.408 4.816 . 0 0 "[ . 1 . 2]" 2
1465 1 13 GLY QA 1 25 TYR HB2 . . 5.300 4.205 3.949 4.849 . 0 0 "[ . 1 . 2]" 2
1466 1 19 PRO HD3 1 39 LEU QB . . 5.310 4.824 4.743 4.882 . 0 0 "[ . 1 . 2]" 2
1467 1 16 LEU HB3 1 39 LEU QB . . 5.440 5.034 4.815 5.249 . 0 0 "[ . 1 . 2]" 2
1468 1 9 GLU QG 1 12 VAL MG1 . . 5.070 4.079 2.934 4.946 . 0 0 "[ . 1 . 2]" 2
1469 1 9 GLU HB3 1 12 VAL MG2 . . 5.320 3.804 2.810 5.149 . 0 0 "[ . 1 . 2]" 2
1470 1 9 GLU HB3 1 12 VAL MG1 . . 5.500 3.574 1.931 4.653 . 0 0 "[ . 1 . 2]" 2
1471 1 9 GLU HB2 1 12 VAL MG2 . . 5.320 3.331 2.624 4.057 . 0 0 "[ . 1 . 2]" 2
1472 1 9 GLU HB2 1 12 VAL MG1 . . 5.500 3.035 2.081 4.459 . 0 0 "[ . 1 . 2]" 2
1473 1 12 VAL MG1 1 13 GLY QA . . 5.360 3.419 3.196 3.621 . 0 0 "[ . 1 . 2]" 2
1474 1 10 GLU H 1 12 VAL MG1 . . 5.040 4.775 4.125 5.042 0.002 10 0 "[ . 1 . 2]" 2
1475 1 9 GLU HA 1 12 VAL MG1 . . 4.860 4.411 3.844 4.900 0.040 16 0 "[ . 1 . 2]" 2
1476 1 9 GLU HA 1 12 VAL HB . . 4.910 4.409 3.631 4.958 0.048 5 0 "[ . 1 . 2]" 2
1477 1 12 VAL MG1 1 14 SER HA . . 5.500 4.055 3.765 4.580 . 0 0 "[ . 1 . 2]" 2
1478 1 14 SER HA 1 16 LEU MD2 . . 5.500 4.873 4.623 5.533 0.033 11 0 "[ . 1 . 2]" 2
1479 1 16 LEU HB2 1 17 GLU HA . . 4.790 4.664 4.644 4.685 . 0 0 "[ . 1 . 2]" 2
1480 1 15 GLY HA3 1 16 LEU HB3 . . 5.500 5.416 5.376 5.460 . 0 0 "[ . 1 . 2]" 2
1481 1 43 SER HB3 1 44 CYS HA . . 4.840 4.718 4.613 4.821 . 0 0 "[ . 1 . 2]" 2
1482 1 38 HIS HB2 1 57 VAL HB . . 4.770 4.566 4.467 4.604 . 0 0 "[ . 1 . 2]" 2
1483 1 17 GLU HG2 1 24 ASP HA . . 4.930 4.552 4.328 4.600 . 0 0 "[ . 1 . 2]" 2
1484 1 17 GLU HG3 1 24 ASP HA . . 4.930 4.546 4.482 4.628 . 0 0 "[ . 1 . 2]" 2
1485 1 26 ALA H 1 27 LEU HA . . 4.930 4.743 4.716 4.813 . 0 0 "[ . 1 . 2]" 2
1486 1 8 THR HA 1 8 THR MG . . 3.600 2.572 2.191 3.207 . 0 0 "[ . 1 . 2]" 2
1487 1 11 HIS HD2 1 25 TYR HB3 . . 5.120 4.616 2.664 5.128 0.008 8 0 "[ . 1 . 2]" 2
1488 1 57 VAL HB 1 58 CYS HB3 . . 4.490 3.861 3.711 3.993 . 0 0 "[ . 1 . 2]" 2
1489 1 17 GLU HB3 1 24 ASP QB . . 4.200 3.096 2.960 3.766 . 0 0 "[ . 1 . 2]" 2
1490 1 11 HIS HD2 1 39 LEU MD1 . . 5.290 4.442 2.666 5.240 . 0 0 "[ . 1 . 2]" 2
1491 1 11 HIS HE1 1 39 LEU MD1 . . 5.460 4.113 1.812 5.468 0.008 8 0 "[ . 1 . 2]" 2
1492 1 11 HIS HE1 1 31 VAL MG2 . . 5.050 2.781 1.993 4.263 . 0 0 "[ . 1 . 2]" 2
1493 1 11 HIS HD2 1 25 TYR HB2 . . 5.320 4.297 3.457 4.899 . 0 0 "[ . 1 . 2]" 2
1494 1 11 HIS HE1 1 31 VAL MG1 . . 5.300 3.960 3.147 5.084 . 0 0 "[ . 1 . 2]" 2
1495 1 11 HIS HD2 1 31 VAL MG1 . . 5.500 5.119 2.940 5.435 . 0 0 "[ . 1 . 2]" 2
1496 1 11 HIS HD2 1 25 TYR QD . . 4.960 3.742 3.270 4.542 . 0 0 "[ . 1 . 2]" 2
1497 1 32 ARG H 1 39 LEU HA . . 5.010 4.545 4.511 4.589 . 0 0 "[ . 1 . 2]" 2
1498 1 11 HIS HE1 1 25 TYR QD . . 5.500 4.765 3.192 5.516 0.016 7 0 "[ . 1 . 2]" 2
1499 1 13 GLY QA 1 16 LEU MD2 . . 3.690 2.282 1.926 2.560 . 0 0 "[ . 1 . 2]" 2
1500 1 15 GLY HA3 1 16 LEU HG . . 5.500 5.024 4.973 5.114 . 0 0 "[ . 1 . 2]" 2
1501 1 16 LEU HG 1 17 GLU HA . . 5.500 5.466 5.303 5.506 0.006 7 0 "[ . 1 . 2]" 2
1502 1 14 SER H 1 16 LEU MD2 . . 5.120 2.485 2.110 4.387 . 0 0 "[ . 1 . 2]" 2
1503 1 21 CYS HB3 1 23 GLU HG2 . . 4.440 4.276 4.249 4.296 . 0 0 "[ . 1 . 2]" 2
1504 1 21 CYS HB2 1 23 GLU HB2 . . 3.880 3.826 3.806 3.843 . 0 0 "[ . 1 . 2]" 2
1505 1 19 PRO HB3 1 20 VAL HA . . 5.500 5.583 5.579 5.585 0.085 12 0 "[ . 1 . 2]" 2
1506 1 20 VAL HA 1 40 PHE QE . . 5.270 5.227 5.190 5.294 0.024 6 0 "[ . 1 . 2]" 2
1507 1 20 VAL MG1 1 41 HIS H . . 5.500 5.364 5.316 5.470 . 0 0 "[ . 1 . 2]" 2
1508 1 35 PRO HB2 1 36 CYS HA . . 4.590 4.441 4.432 4.447 . 0 0 "[ . 1 . 2]" 2
1509 1 37 ASN HA 1 39 LEU MD1 . . 5.500 5.585 5.567 5.604 0.104 18 0 "[ . 1 . 2]" 2
1510 1 38 HIS HB3 1 58 CYS H . . 5.500 5.423 5.196 5.546 0.046 14 0 "[ . 1 . 2]" 2
1511 1 33 GLN HE22 1 39 LEU QB . . 5.500 5.528 5.522 5.535 0.035 4 0 "[ . 1 . 2]" 2
1512 1 31 VAL HB 1 39 LEU MD1 . . 3.940 3.968 3.959 3.979 0.039 17 0 "[ . 1 . 2]" 2
1513 1 33 GLN HG3 1 40 PHE QD . . 5.500 5.446 5.415 5.478 . 0 0 "[ . 1 . 2]" 2
1514 1 34 LEU HB3 1 40 PHE QD . . 5.500 5.136 5.060 5.207 . 0 0 "[ . 1 . 2]" 2
1515 1 38 HIS H 1 40 PHE QD . . 5.500 5.342 5.322 5.365 . 0 0 "[ . 1 . 2]" 2
1516 1 40 PHE QD 1 45 ILE H . . 5.500 5.431 5.406 5.470 . 0 0 "[ . 1 . 2]" 2
1517 1 40 PHE QD 1 41 HIS H . . 4.500 4.299 4.272 4.321 . 0 0 "[ . 1 . 2]" 2
1518 1 38 HIS HE1 1 55 CYS QB . . 5.380 5.359 5.305 5.403 0.023 10 0 "[ . 1 . 2]" 2
1519 1 38 HIS HE1 1 57 VAL MG2 . . 5.150 5.120 4.986 5.175 0.025 17 0 "[ . 1 . 2]" 2
1520 1 20 VAL HA 1 21 CYS HB3 . . 5.500 5.563 5.552 5.581 0.081 6 0 "[ . 1 . 2]" 2
1521 1 31 VAL HB 1 39 LEU MD2 . . 3.290 2.212 2.187 2.240 . 0 0 "[ . 1 . 2]" 2
1522 1 7 GLY QA 1 8 THR H . . 3.110 2.224 2.110 2.580 . 0 0 "[ . 1 . 2]" 2
1523 1 9 GLU H 1 9 GLU QB . . 3.410 2.343 2.092 2.716 . 0 0 "[ . 1 . 2]" 2
1524 1 10 GLU H 1 10 GLU QB . . 3.170 2.339 2.127 2.488 . 0 0 "[ . 1 . 2]" 2
1525 1 10 GLU H 1 10 GLU QG . . 3.860 3.029 2.109 3.911 0.051 9 0 "[ . 1 . 2]" 2
1526 1 10 GLU QG 1 11 HIS H . . 5.340 3.892 2.631 4.757 . 0 0 "[ . 1 . 2]" 2
1527 1 11 HIS QB 1 12 VAL H . . 4.130 3.920 3.443 4.061 . 0 0 "[ . 1 . 2]" 2
1528 1 12 VAL MG1 1 14 SER QB . . 4.330 2.905 2.335 3.273 . 0 0 "[ . 1 . 2]" 2
1529 1 12 VAL MG2 1 14 SER QB . . 5.160 4.862 3.868 5.146 . 0 0 "[ . 1 . 2]" 2
1530 1 14 SER H 1 14 SER QB . . 3.600 2.386 2.211 3.186 . 0 0 "[ . 1 . 2]" 2
1531 1 14 SER HA 1 14 SER QB . . 2.590 2.436 2.347 2.498 . 0 0 "[ . 1 . 2]" 2
1532 1 14 SER QB 1 15 GLY H . . 4.340 3.854 3.561 4.027 . 0 0 "[ . 1 . 2]" 2
1533 1 14 SER QB 1 16 LEU H . . 5.040 4.754 4.535 5.078 0.038 11 0 "[ . 1 . 2]" 2
1534 1 14 SER QB 1 16 LEU HB3 . . 4.660 4.519 4.362 4.647 . 0 0 "[ . 1 . 2]" 2
1535 1 14 SER QB 1 16 LEU HG . . 4.220 3.766 3.610 4.111 . 0 0 "[ . 1 . 2]" 2
1536 1 14 SER QB 1 16 LEU MD2 . . 4.450 3.867 3.648 4.053 . 0 0 "[ . 1 . 2]" 2
1537 1 15 GLY HA2 1 17 GLU QG . . 3.780 3.473 3.293 3.744 . 0 0 "[ . 1 . 2]" 2
1538 1 16 LEU HA 1 17 GLU QG . . 4.640 4.296 4.219 4.421 . 0 0 "[ . 1 . 2]" 2
1539 1 17 GLU H 1 17 GLU QG . . 3.290 2.260 2.137 2.396 . 0 0 "[ . 1 . 2]" 2
1540 1 17 GLU QG 1 22 LYS HA . . 3.490 2.895 2.657 3.365 . 0 0 "[ . 1 . 2]" 2
1541 1 17 GLU QG 1 23 GLU H . . 4.680 4.288 4.083 4.587 . 0 0 "[ . 1 . 2]" 2
1542 1 17 GLU QG 1 24 ASP HA . . 4.270 4.052 3.920 4.095 . 0 0 "[ . 1 . 2]" 2
1543 1 17 GLU QG 1 24 ASP QB . . 5.240 4.857 4.763 5.268 0.028 10 0 "[ . 1 . 2]" 2
1544 1 19 PRO HA 1 22 LYS QE . . 4.190 2.241 2.181 2.364 . 0 0 "[ . 1 . 2]" 2
1545 1 22 LYS H 1 22 LYS QB . . 3.530 3.396 3.387 3.414 . 0 0 "[ . 1 . 2]" 2
1546 1 22 LYS H 1 22 LYS QE . . 5.330 4.291 4.230 4.359 . 0 0 "[ . 1 . 2]" 2
1547 1 22 LYS HA 1 22 LYS QE . . 4.740 4.073 4.042 4.121 . 0 0 "[ . 1 . 2]" 2
1548 1 22 LYS QB 1 22 LYS QE . . 3.750 3.630 3.623 3.633 . 0 0 "[ . 1 . 2]" 2
1549 1 22 LYS QB 1 23 GLU H . . 3.930 3.859 3.855 3.865 . 0 0 "[ . 1 . 2]" 2
1550 1 26 ALA H 1 29 GLU QG . . 4.240 4.006 3.523 4.252 0.012 6 0 "[ . 1 . 2]" 2
1551 1 26 ALA HA 1 27 LEU QB . . 4.670 4.483 4.306 4.641 . 0 0 "[ . 1 . 2]" 2
1552 1 26 ALA HA 1 27 LEU QD . . 5.440 3.928 3.098 4.642 . 0 0 "[ . 1 . 2]" 2
1553 1 26 ALA MB 1 27 LEU QB . . 4.320 4.196 4.112 4.272 . 0 0 "[ . 1 . 2]" 2
1554 1 26 ALA MB 1 29 GLU QG . . 3.120 1.951 1.815 2.569 . 0 0 "[ . 1 . 2]" 2
1555 1 27 LEU H 1 27 LEU QB . . 3.080 2.598 2.389 2.735 . 0 0 "[ . 1 . 2]" 2
1556 1 27 LEU H 1 27 LEU QD . . 3.520 2.576 1.835 3.207 . 0 0 "[ . 1 . 2]" 2
1557 1 27 LEU HA 1 27 LEU QD . . 3.500 2.536 1.980 3.162 . 0 0 "[ . 1 . 2]" 2
1558 1 27 LEU QB 1 27 LEU QD . . 2.400 1.851 1.755 1.931 . 0 0 "[ . 1 . 2]" 2
1559 1 27 LEU QB 1 28 GLY H . . 3.510 2.417 2.317 2.544 . 0 0 "[ . 1 . 2]" 2
1560 1 27 LEU QB 1 28 GLY HA2 . . 4.410 3.872 3.833 3.902 . 0 0 "[ . 1 . 2]" 2
1561 1 27 LEU QB 1 28 GLY HA3 . . 4.990 4.075 4.029 4.151 . 0 0 "[ . 1 . 2]" 2
1562 1 27 LEU QB 1 29 GLU H . . 5.340 4.434 4.380 4.483 . 0 0 "[ . 1 . 2]" 2
1563 1 27 LEU QD 1 28 GLY H . . 4.150 3.656 3.034 4.084 . 0 0 "[ . 1 . 2]" 2
1564 1 27 LEU QD 1 28 GLY HA2 . . 5.390 5.024 4.928 5.124 . 0 0 "[ . 1 . 2]" 2
1565 1 28 GLY H 1 29 GLU QG . . 5.340 4.613 4.508 5.357 0.017 11 0 "[ . 1 . 2]" 2
1566 1 28 GLY HA3 1 29 GLU QG . . 5.340 4.648 4.482 5.345 0.005 11 0 "[ . 1 . 2]" 2
1567 1 29 GLU H 1 29 GLU QG . . 3.540 2.825 2.683 3.548 0.008 11 0 "[ . 1 . 2]" 2
1568 1 29 GLU HA 1 29 GLU QG . . 3.270 2.311 2.199 2.404 . 0 0 "[ . 1 . 2]" 2
1569 1 29 GLU QG 1 30 SER H . . 4.220 3.978 3.793 4.255 0.035 20 0 "[ . 1 . 2]" 2
1570 1 29 GLU QG 1 41 HIS HD2 . . 4.480 4.332 3.868 4.488 0.008 13 0 "[ . 1 . 2]" 2
1571 1 33 GLN HE21 1 37 ASN QB . . 4.330 3.936 3.915 3.950 . 0 0 "[ . 1 . 2]" 2
1572 1 33 GLN HE22 1 37 ASN QB . . 4.900 4.775 4.752 4.796 . 0 0 "[ . 1 . 2]" 2
1573 1 36 CYS HA 1 37 ASN QB . . 4.550 4.532 4.512 4.542 . 0 0 "[ . 1 . 2]" 2
1574 1 36 CYS HA 1 60 LYS QD . . 4.230 4.212 3.966 4.300 0.070 19 0 "[ . 1 . 2]" 2
1575 1 36 CYS HB2 1 60 LYS QB . . 4.020 3.294 2.896 3.550 . 0 0 "[ . 1 . 2]" 2
1576 1 36 CYS HB2 1 60 LYS QD . . 4.630 3.961 3.382 4.425 . 0 0 "[ . 1 . 2]" 2
1577 1 36 CYS HB3 1 60 LYS QB . . 3.450 2.264 1.925 2.447 . 0 0 "[ . 1 . 2]" 2
1578 1 37 ASN HA 1 37 ASN QD . . 4.520 3.735 2.422 4.247 . 0 0 "[ . 1 . 2]" 2
1579 1 37 ASN QB 1 37 ASN QD . . 2.940 2.177 2.066 2.473 . 0 0 "[ . 1 . 2]" 2
1580 1 46 VAL MG1 1 50 GLU QG . . 3.550 2.996 2.756 3.151 . 0 0 "[ . 1 . 2]" 2
1581 1 47 PRO HA 1 50 GLU QG . . 3.940 3.640 3.298 3.945 0.005 20 0 "[ . 1 . 2]" 2
1582 1 48 TRP HA 1 51 GLN QG . . 4.320 4.114 3.815 4.265 . 0 0 "[ . 1 . 2]" 2
1583 1 48 TRP HZ2 1 59 ARG QD . . 4.460 3.289 2.496 4.461 0.001 17 0 "[ . 1 . 2]" 2
1584 1 49 LEU HA 1 53 ASP QB . . 4.770 4.167 3.837 4.426 . 0 0 "[ . 1 . 2]" 2
1585 1 50 GLU H 1 50 GLU QG . . 3.330 2.671 2.414 3.323 . 0 0 "[ . 1 . 2]" 2
1586 1 50 GLU HA 1 50 GLU QG . . 2.960 2.452 2.241 2.816 . 0 0 "[ . 1 . 2]" 2
1587 1 50 GLU HA 1 77 VAL QG . . 4.600 4.179 3.004 4.601 0.001 3 0 "[ . 1 . 2]" 2
1588 1 50 GLU HB2 1 77 VAL QG . . 5.440 3.874 2.248 5.104 . 0 0 "[ . 1 . 2]" 2
1589 1 50 GLU HB3 1 77 VAL QG . . 4.340 2.980 2.098 4.036 . 0 0 "[ . 1 . 2]" 2
1590 1 50 GLU QG 1 51 GLN H . . 5.340 4.537 4.433 4.931 . 0 0 "[ . 1 . 2]" 2
1591 1 50 GLU QG 1 72 PRO HA . . 4.050 3.336 2.606 4.048 . 0 0 "[ . 1 . 2]" 2
1592 1 50 GLU QG 1 77 VAL QG . . 5.060 3.796 2.302 4.962 . 0 0 "[ . 1 . 2]" 2
1593 1 51 GLN H 1 51 GLN QG . . 3.690 3.385 3.283 3.469 . 0 0 "[ . 1 . 2]" 2
1594 1 51 GLN HA 1 51 GLN QG . . 3.330 2.228 2.128 2.492 . 0 0 "[ . 1 . 2]" 2
1595 1 51 GLN QG 1 52 HIS H . . 4.880 4.311 4.248 4.371 . 0 0 "[ . 1 . 2]" 2
1596 1 52 HIS HA 1 53 ASP QB . . 4.640 4.274 4.032 4.598 . 0 0 "[ . 1 . 2]" 2
1597 1 53 ASP QB 1 54 SER H . . 4.160 3.873 3.740 4.057 . 0 0 "[ . 1 . 2]" 2
1598 1 53 ASP QB 1 62 LEU H . . 5.340 5.011 4.667 5.274 . 0 0 "[ . 1 . 2]" 2
1599 1 53 ASP QB 1 62 LEU HB2 . . 4.680 4.353 4.034 4.684 0.004 11 0 "[ . 1 . 2]" 2
1600 1 53 ASP QB 1 62 LEU MD1 . . 4.220 3.993 3.702 4.223 0.003 19 0 "[ . 1 . 2]" 2
1601 1 54 SER HB2 1 59 ARG QB . . 5.080 3.524 3.168 3.787 . 0 0 "[ . 1 . 2]" 2
1602 1 54 SER HB2 1 59 ARG QG . . 5.030 3.987 3.017 4.880 . 0 0 "[ . 1 . 2]" 2
1603 1 54 SER HB2 1 59 ARG QD . . 5.330 3.711 2.312 5.151 . 0 0 "[ . 1 . 2]" 2
1604 1 54 SER HB3 1 59 ARG QB . . 5.030 3.245 2.913 3.574 . 0 0 "[ . 1 . 2]" 2
1605 1 54 SER HB3 1 59 ARG QG . . 5.340 4.323 3.651 4.905 . 0 0 "[ . 1 . 2]" 2
1606 1 55 CYS QB 1 59 ARG QB . . 5.340 4.176 4.106 4.285 . 0 0 "[ . 1 . 2]" 2
1607 1 55 CYS QB 1 59 ARG QG . . 4.780 4.121 4.002 4.212 . 0 0 "[ . 1 . 2]" 2
1608 1 55 CYS QB 1 60 LYS QG . . 5.220 4.190 3.868 4.818 . 0 0 "[ . 1 . 2]" 2
1609 1 56 PRO HA 1 59 ARG QG . . 4.020 3.690 3.318 4.074 0.054 9 0 "[ . 1 . 2]" 2
1610 1 57 VAL HA 1 59 ARG QG . . 5.340 5.000 4.596 5.516 0.176 14 0 "[ . 1 . 2]" 2
1611 1 57 VAL HA 1 59 ARG QD . . 5.340 4.565 3.558 5.368 0.028 9 0 "[ . 1 . 2]" 2
1612 1 59 ARG H 1 59 ARG QG . . 3.640 2.886 2.486 3.365 . 0 0 "[ . 1 . 2]" 2
1613 1 59 ARG H 1 59 ARG QD . . 3.890 2.943 2.052 3.566 . 0 0 "[ . 1 . 2]" 2
1614 1 59 ARG H 1 60 LYS QB . . 4.760 4.520 4.354 4.671 . 0 0 "[ . 1 . 2]" 2
1615 1 59 ARG HA 1 59 ARG QG . . 3.140 2.596 2.283 2.863 . 0 0 "[ . 1 . 2]" 2
1616 1 59 ARG HA 1 59 ARG QD . . 3.490 2.695 2.007 3.265 . 0 0 "[ . 1 . 2]" 2
1617 1 59 ARG QB 1 59 ARG QD . . 2.980 2.343 2.008 2.474 . 0 0 "[ . 1 . 2]" 2
1618 1 60 LYS H 1 60 LYS QD . . 4.540 4.383 3.594 4.610 0.070 13 0 "[ . 1 . 2]" 2
1619 1 60 LYS HA 1 60 LYS QG . . 3.270 2.394 2.254 2.763 . 0 0 "[ . 1 . 2]" 2
1620 1 60 LYS HA 1 60 LYS QD . . 3.660 2.666 2.076 3.203 . 0 0 "[ . 1 . 2]" 2
1621 1 60 LYS HA 1 61 SER QB . . 4.270 4.068 4.029 4.108 . 0 0 "[ . 1 . 2]" 2
1622 1 60 LYS QB 1 60 LYS QE . . 3.910 3.267 1.925 3.832 . 0 0 "[ . 1 . 2]" 2
1623 1 60 LYS QE 1 60 LYS QG . . 3.100 2.198 2.026 2.465 . 0 0 "[ . 1 . 2]" 2
1624 1 60 LYS QD 1 61 SER QB . . 5.130 4.594 3.316 5.156 0.026 14 0 "[ . 1 . 2]" 2
1625 1 61 SER H 1 61 SER QB . . 3.380 2.214 2.134 2.303 . 0 0 "[ . 1 . 2]" 2
1626 1 61 SER QB 1 62 LEU H . . 3.890 3.860 3.750 3.916 0.026 20 0 "[ . 1 . 2]" 2
1627 1 61 SER QB 1 62 LEU MD2 . . 5.340 5.109 4.971 5.238 . 0 0 "[ . 1 . 2]" 2
1628 1 61 SER QB 1 63 THR H . . 4.020 3.398 3.042 4.008 . 0 0 "[ . 1 . 2]" 2
1629 1 61 SER QB 1 63 THR MG . . 4.640 3.610 3.133 4.209 . 0 0 "[ . 1 . 2]" 2
1630 1 70 ASN QB 1 71 PRO QD . . 3.550 2.911 2.054 3.577 0.027 6 0 "[ . 1 . 2]" 2
1631 1 71 PRO HA 1 72 PRO QD . . 2.840 2.017 1.878 2.192 . 0 0 "[ . 1 . 2]" 2
1632 1 71 PRO QB 1 72 PRO QD . . 3.170 2.516 1.948 3.063 . 0 0 "[ . 1 . 2]" 2
1633 1 72 PRO QG 1 73 GLY QA . . 5.340 4.547 3.805 5.052 . 0 0 "[ . 1 . 2]" 2
1634 1 73 GLY QA 1 74 LEU QB . . 4.950 3.968 3.583 4.447 . 0 0 "[ . 1 . 2]" 2
1635 1 74 LEU H 1 74 LEU QB . . 3.400 2.450 2.082 3.166 . 0 0 "[ . 1 . 2]" 2
1636 1 74 LEU HA 1 74 LEU QD . . 3.890 2.672 1.924 3.420 . 0 0 "[ . 1 . 2]" 2
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