NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595540 |
2n54   |
25693 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n54
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 1376
_Distance_constraint_stats_list.Viol_count 2439
_Distance_constraint_stats_list.Viol_total 2887.417
_Distance_constraint_stats_list.Viol_max 0.307
_Distance_constraint_stats_list.Viol_rms 0.0222
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0592
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.641 0.121 4 0 "[ . 1 . 2]"
1 9 ARG 1.326 0.251 6 0 "[ . 1 . 2]"
1 11 CYS 2.648 0.208 10 0 "[ . 1 . 2]"
1 12 VAL 2.857 0.139 16 0 "[ . 1 . 2]"
1 13 SER 0.799 0.103 19 0 "[ . 1 . 2]"
1 14 LEU 2.973 0.186 7 0 "[ . 1 . 2]"
1 15 THR 1.981 0.169 19 0 "[ . 1 . 2]"
1 16 THR 1.096 0.110 11 0 "[ . 1 . 2]"
1 18 ARG 0.158 0.034 13 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.004 0.003 10 0 "[ . 1 . 2]"
1 21 VAL 1.341 0.169 6 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.050 0.050 6 0 "[ . 1 . 2]"
1 24 ILE 7.801 0.156 5 0 "[ . 1 . 2]"
1 25 LYS 7.773 0.279 10 0 "[ . 1 . 2]"
1 26 THR 3.359 0.190 5 0 "[ . 1 . 2]"
1 27 TYR 4.718 0.144 18 0 "[ . 1 . 2]"
1 28 THR 1.885 0.147 16 0 "[ . 1 . 2]"
1 29 ILE 11.762 0.206 1 0 "[ . 1 . 2]"
1 30 THR 3.682 0.255 1 0 "[ . 1 . 2]"
1 31 GLU 6.117 0.269 14 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 5.040 0.186 18 0 "[ . 1 . 2]"
1 35 ARG 6.253 0.229 7 0 "[ . 1 . 2]"
1 36 CYS 6.418 0.255 1 0 "[ . 1 . 2]"
1 37 VAL 7.381 0.134 11 0 "[ . 1 . 2]"
1 38 ILE 2.929 0.134 8 0 "[ . 1 . 2]"
1 39 PHE 4.633 0.234 4 0 "[ . 1 . 2]"
1 40 ILE 10.560 0.193 20 0 "[ . 1 . 2]"
1 41 THR 3.202 0.307 2 0 "[ . 1 . 2]"
1 42 LYS 3.168 0.153 13 0 "[ . 1 . 2]"
1 43 ARG 1.442 0.307 2 0 "[ . 1 . 2]"
1 44 GLY 0.808 0.150 5 0 "[ . 1 . 2]"
1 45 LEU 3.898 0.169 19 0 "[ . 1 . 2]"
1 46 LYS 6.508 0.234 4 0 "[ . 1 . 2]"
1 47 VAL 5.381 0.186 7 0 "[ . 1 . 2]"
1 48 CYS 2.147 0.106 18 0 "[ . 1 . 2]"
1 49 CYS 1.345 0.144 10 0 "[ . 1 . 2]"
1 50 ASP 1.647 0.139 20 0 "[ . 1 . 2]"
1 51 PRO 4.291 0.188 12 0 "[ . 1 . 2]"
1 52 GLN 0.798 0.093 8 0 "[ . 1 . 2]"
1 53 ALA 0.343 0.086 20 0 "[ . 1 . 2]"
1 54 THR 0.129 0.073 15 0 "[ . 1 . 2]"
1 55 TRP 0.429 0.086 20 0 "[ . 1 . 2]"
1 56 VAL 0.190 0.073 15 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.151 0.079 19 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.151 0.079 19 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 LYS 0.514 0.114 17 0 "[ . 1 . 2]"
2 9 ARG 0.712 0.147 14 0 "[ . 1 . 2]"
2 11 CYS 2.978 0.179 4 0 "[ . 1 . 2]"
2 12 VAL 2.515 0.130 4 0 "[ . 1 . 2]"
2 13 SER 0.708 0.115 6 0 "[ . 1 . 2]"
2 14 LEU 3.296 0.204 12 0 "[ . 1 . 2]"
2 15 THR 1.798 0.153 10 0 "[ . 1 . 2]"
2 16 THR 0.998 0.081 16 0 "[ . 1 . 2]"
2 18 ARG 0.279 0.075 6 0 "[ . 1 . 2]"
2 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 PRO 0.084 0.039 1 0 "[ . 1 . 2]"
2 21 VAL 1.182 0.088 19 0 "[ . 1 . 2]"
2 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ARG 0.087 0.054 6 0 "[ . 1 . 2]"
2 24 ILE 7.780 0.213 9 0 "[ . 1 . 2]"
2 25 LYS 7.382 0.269 14 0 "[ . 1 . 2]"
2 26 THR 3.709 0.164 1 0 "[ . 1 . 2]"
2 27 TYR 4.282 0.139 1 0 "[ . 1 . 2]"
2 28 THR 1.577 0.091 16 0 "[ . 1 . 2]"
2 29 ILE 11.114 0.214 14 0 "[ . 1 . 2]"
2 30 THR 4.118 0.254 2 0 "[ . 1 . 2]"
2 31 GLU 6.392 0.279 10 0 "[ . 1 . 2]"
2 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LEU 5.515 0.226 6 0 "[ . 1 . 2]"
2 35 ARG 5.963 0.219 8 0 "[ . 1 . 2]"
2 36 CYS 6.675 0.254 2 0 "[ . 1 . 2]"
2 37 VAL 6.752 0.150 4 0 "[ . 1 . 2]"
2 38 ILE 2.183 0.130 6 0 "[ . 1 . 2]"
2 39 PHE 4.605 0.181 15 0 "[ . 1 . 2]"
2 40 ILE 10.542 0.213 9 0 "[ . 1 . 2]"
2 41 THR 2.907 0.143 8 0 "[ . 1 . 2]"
2 42 LYS 3.297 0.130 6 0 "[ . 1 . 2]"
2 43 ARG 0.908 0.108 3 0 "[ . 1 . 2]"
2 44 GLY 0.905 0.099 1 0 "[ . 1 . 2]"
2 45 LEU 2.962 0.153 10 0 "[ . 1 . 2]"
2 46 LYS 6.238 0.181 15 0 "[ . 1 . 2]"
2 47 VAL 5.331 0.204 12 0 "[ . 1 . 2]"
2 48 CYS 1.460 0.112 16 0 "[ . 1 . 2]"
2 49 CYS 1.438 0.140 6 0 "[ . 1 . 2]"
2 50 ASP 1.304 0.149 16 0 "[ . 1 . 2]"
2 51 PRO 4.898 0.219 8 0 "[ . 1 . 2]"
2 52 GLN 0.462 0.083 7 0 "[ . 1 . 2]"
2 53 ALA 0.308 0.072 12 0 "[ . 1 . 2]"
2 54 THR 0.095 0.056 9 0 "[ . 1 . 2]"
2 55 TRP 0.357 0.072 12 0 "[ . 1 . 2]"
2 56 VAL 0.216 0.063 18 0 "[ . 1 . 2]"
2 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 ASP 0.270 0.103 16 0 "[ . 1 . 2]"
2 59 VAL 0.007 0.007 10 0 "[ . 1 . 2]"
2 60 VAL 0.270 0.103 16 0 "[ . 1 . 2]"
2 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 VAL H 1 5 VAL QG . . 3.940 2.231 1.901 2.853 . 0 0 "[ . 1 . 2]" 1
2 1 5 VAL HA 1 5 VAL QG . . 2.630 2.271 2.134 2.370 . 0 0 "[ . 1 . 2]" 1
3 1 8 LYS HA 1 8 LYS QE . . 5.280 4.146 2.460 5.016 . 0 0 "[ . 1 . 2]" 1
4 1 8 LYS QB 1 8 LYS QE . . 3.400 2.347 1.878 3.521 0.121 4 0 "[ . 1 . 2]" 1
5 1 8 LYS HB2 1 8 LYS QE . . 4.040 2.876 1.909 4.157 0.117 4 0 "[ . 1 . 2]" 1
6 1 8 LYS HB3 1 8 LYS QE . . 4.040 2.824 1.912 4.075 0.035 17 0 "[ . 1 . 2]" 1
7 1 9 ARG HA 1 9 ARG QD . . 3.800 3.412 2.022 4.051 0.251 6 0 "[ . 1 . 2]" 1
8 1 9 ARG QB 1 9 ARG QD . . 3.150 2.405 2.085 2.871 . 0 0 "[ . 1 . 2]" 1
9 1 11 CYS CB 1 48 CYS SG . . 3.100 3.097 3.063 3.137 0.037 8 0 "[ . 1 . 2]" 1
10 1 11 CYS HA 1 12 VAL H . . 3.540 2.290 2.191 2.348 . 0 0 "[ . 1 . 2]" 1
11 1 11 CYS HA 1 48 CYS HA . . 3.710 2.094 1.764 2.545 . 0 0 "[ . 1 . 2]" 1
12 1 11 CYS HA 1 48 CYS HB2 . . 5.080 3.316 2.942 3.523 . 0 0 "[ . 1 . 2]" 1
13 1 11 CYS HA 1 48 CYS HB3 . . 5.390 4.358 4.103 4.552 . 0 0 "[ . 1 . 2]" 1
14 1 11 CYS HA 1 49 CYS H . . 4.300 3.519 3.040 4.222 . 0 0 "[ . 1 . 2]" 1
15 1 11 CYS HB2 1 46 LYS QE . . 5.040 4.254 2.644 5.121 0.081 6 0 "[ . 1 . 2]" 1
16 1 11 CYS HB3 1 46 LYS QD . . 4.410 3.609 2.563 4.618 0.208 10 0 "[ . 1 . 2]" 1
17 1 11 CYS HB3 1 46 LYS QG . . 4.850 3.029 2.566 4.248 . 0 0 "[ . 1 . 2]" 1
18 1 11 CYS HB3 1 47 VAL QG . . 4.710 4.791 4.744 4.846 0.136 9 0 "[ . 1 . 2]" 1
19 1 11 CYS HB3 1 48 CYS HA . . 4.830 3.068 2.750 3.437 . 0 0 "[ . 1 . 2]" 1
20 1 11 CYS HB3 1 48 CYS HB2 . . 4.130 2.159 1.950 2.349 . 0 0 "[ . 1 . 2]" 1
21 1 11 CYS SG 1 48 CYS CB . . 3.100 3.023 2.988 3.069 . 0 0 "[ . 1 . 2]" 1
22 1 11 CYS SG 1 48 CYS SG . . 2.100 2.028 2.022 2.035 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL H 1 12 VAL MG2 . . 3.750 2.252 2.017 2.753 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL H 1 46 LYS QG . . 4.920 3.966 3.317 4.550 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL H 1 48 CYS HA . . 4.420 3.001 2.729 3.355 . 0 0 "[ . 1 . 2]" 1
26 1 12 VAL HA 1 46 LYS QG . . 5.330 4.757 4.304 5.135 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL HA 2 14 LEU MD1 . . 4.240 3.703 2.234 4.313 0.073 8 0 "[ . 1 . 2]" 1
28 1 12 VAL HB 2 14 LEU HB2 . . 4.080 3.720 3.445 4.135 0.055 8 0 "[ . 1 . 2]" 1
29 1 12 VAL HB 2 14 LEU HB3 . . 4.810 3.255 2.374 4.927 0.117 11 0 "[ . 1 . 2]" 1
30 1 12 VAL HB 2 14 LEU MD1 . . 3.680 2.144 1.774 3.767 0.087 11 0 "[ . 1 . 2]" 1
31 1 12 VAL HB 2 14 LEU HG . . 4.880 4.410 4.228 4.970 0.090 11 0 "[ . 1 . 2]" 1
32 1 12 VAL MG2 1 49 CYS H . . 4.680 4.459 3.904 4.760 0.080 20 0 "[ . 1 . 2]" 1
33 1 12 VAL MG2 2 14 LEU H . . 4.420 4.370 4.014 4.555 0.135 7 0 "[ . 1 . 2]" 1
34 1 12 VAL MG2 2 14 LEU HA . . 5.500 4.461 3.586 4.889 . 0 0 "[ . 1 . 2]" 1
35 1 12 VAL MG2 2 14 LEU HB2 . . 3.850 2.413 2.081 2.691 . 0 0 "[ . 1 . 2]" 1
36 1 12 VAL MG2 2 14 LEU HB3 . . 3.730 2.451 1.773 3.043 . 0 0 "[ . 1 . 2]" 1
37 1 12 VAL MG2 2 14 LEU MD1 . . 2.400 2.222 1.908 2.497 0.097 12 0 "[ . 1 . 2]" 1
38 1 12 VAL MG2 2 14 LEU HG . . 4.170 3.989 3.577 4.101 . 0 0 "[ . 1 . 2]" 1
39 1 12 VAL MG2 2 15 THR H . . 5.050 4.763 3.601 5.189 0.139 16 0 "[ . 1 . 2]" 1
40 1 12 VAL MG2 2 45 LEU H . . 4.350 4.280 3.245 4.441 0.091 17 0 "[ . 1 . 2]" 1
41 1 13 SER HA 1 14 LEU H . . 3.570 2.131 2.052 2.229 . 0 0 "[ . 1 . 2]" 1
42 1 13 SER HA 1 46 LYS HA . . 3.750 2.068 1.910 2.299 . 0 0 "[ . 1 . 2]" 1
43 1 13 SER HA 1 46 LYS QB . . 4.780 3.611 3.011 4.041 . 0 0 "[ . 1 . 2]" 1
44 1 13 SER HA 1 46 LYS QD . . 5.180 5.131 4.801 5.283 0.103 19 0 "[ . 1 . 2]" 1
45 1 13 SER HA 1 46 LYS QG . . 4.610 3.421 3.057 3.908 . 0 0 "[ . 1 . 2]" 1
46 1 13 SER HA 1 47 VAL H . . 4.270 3.018 2.839 3.350 . 0 0 "[ . 1 . 2]" 1
47 1 13 SER HA 1 47 VAL QG . . 4.940 3.834 3.542 4.170 . 0 0 "[ . 1 . 2]" 1
48 1 13 SER QB 1 14 LEU H . . 4.650 3.141 2.832 3.617 . 0 0 "[ . 1 . 2]" 1
49 1 13 SER QB 1 46 LYS HA . . 4.730 2.809 2.346 3.420 . 0 0 "[ . 1 . 2]" 1
50 1 13 SER QB 1 46 LYS QB . . 4.920 2.694 2.135 3.589 . 0 0 "[ . 1 . 2]" 1
51 1 13 SER QB 1 46 LYS QD . . 3.910 3.624 3.230 3.968 0.058 5 0 "[ . 1 . 2]" 1
52 1 13 SER QB 1 46 LYS QE . . 4.850 4.028 2.817 4.895 0.045 15 0 "[ . 1 . 2]" 1
53 1 13 SER QB 1 46 LYS QG . . 4.660 2.299 1.815 3.460 . 0 0 "[ . 1 . 2]" 1
54 1 13 SER QB 1 47 VAL H . . 5.480 4.052 3.491 4.533 . 0 0 "[ . 1 . 2]" 1
55 1 14 LEU H 1 14 LEU HB2 . . 4.020 2.578 2.360 2.789 . 0 0 "[ . 1 . 2]" 1
56 1 14 LEU H 1 14 LEU HB3 . . 4.120 3.719 3.567 3.875 . 0 0 "[ . 1 . 2]" 1
57 1 14 LEU H 1 14 LEU MD1 . . 4.520 4.101 3.717 4.390 . 0 0 "[ . 1 . 2]" 1
58 1 14 LEU H 1 14 LEU HG . . 4.220 3.290 2.825 3.623 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU H 1 45 LEU H . . 4.140 3.373 3.075 3.659 . 0 0 "[ . 1 . 2]" 1
60 1 14 LEU H 1 46 LYS HA . . 4.190 3.257 3.090 3.414 . 0 0 "[ . 1 . 2]" 1
61 1 14 LEU H 1 47 VAL H . . 4.350 4.422 4.214 4.536 0.186 7 0 "[ . 1 . 2]" 1
62 1 14 LEU H 2 12 VAL MG2 . . 4.420 4.366 3.837 4.550 0.130 4 0 "[ . 1 . 2]" 1
63 1 14 LEU H 2 47 VAL QG . . 4.880 4.550 3.876 4.913 0.033 7 0 "[ . 1 . 2]" 1
64 1 14 LEU HA 1 14 LEU MD1 . . 4.690 3.828 3.758 3.874 . 0 0 "[ . 1 . 2]" 1
65 1 14 LEU HA 2 12 VAL MG2 . . 5.500 4.456 3.359 4.920 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU HB2 1 45 LEU H . . 4.220 3.925 3.141 4.278 0.058 8 0 "[ . 1 . 2]" 1
67 1 14 LEU HB2 2 12 VAL HB . . 4.080 3.600 2.940 4.086 0.006 12 0 "[ . 1 . 2]" 1
68 1 14 LEU HB2 2 12 VAL MG2 . . 3.850 2.408 2.002 2.740 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU HB3 1 45 LEU H . . 5.420 4.681 4.272 5.065 . 0 0 "[ . 1 . 2]" 1
70 1 14 LEU HB3 2 12 VAL HB . . 4.810 3.030 2.341 3.819 . 0 0 "[ . 1 . 2]" 1
71 1 14 LEU HB3 2 12 VAL MG2 . . 3.730 2.469 1.740 3.069 . 0 0 "[ . 1 . 2]" 1
72 1 14 LEU MD1 2 12 VAL HA . . 4.240 3.676 3.283 4.319 0.079 12 0 "[ . 1 . 2]" 1
73 1 14 LEU MD1 2 12 VAL HB . . 3.680 1.954 1.718 3.105 . 0 0 "[ . 1 . 2]" 1
74 1 14 LEU MD1 2 12 VAL MG2 . . 2.400 2.247 1.915 2.474 0.074 8 0 "[ . 1 . 2]" 1
75 1 14 LEU HG 2 12 VAL HB . . 4.880 4.312 4.024 4.575 . 0 0 "[ . 1 . 2]" 1
76 1 14 LEU HG 2 12 VAL MG2 . . 4.170 4.016 3.734 4.175 0.005 8 0 "[ . 1 . 2]" 1
77 1 15 THR H 1 15 THR MG . . 4.730 3.289 2.621 3.834 . 0 0 "[ . 1 . 2]" 1
78 1 15 THR H 2 12 VAL MG2 . . 5.050 4.751 2.940 5.171 0.121 14 0 "[ . 1 . 2]" 1
79 1 15 THR HA 1 15 THR MG . . 3.710 2.265 2.140 2.332 . 0 0 "[ . 1 . 2]" 1
80 1 15 THR HA 1 44 GLY HA2 . . 4.340 2.955 2.030 3.764 . 0 0 "[ . 1 . 2]" 1
81 1 15 THR HA 1 44 GLY HA3 . . 4.340 2.169 1.921 2.999 . 0 0 "[ . 1 . 2]" 1
82 1 15 THR HA 1 45 LEU H . . 4.240 3.341 3.009 3.775 . 0 0 "[ . 1 . 2]" 1
83 1 15 THR MG 1 43 ARG HB2 . . 4.700 3.637 2.611 4.739 0.039 16 0 "[ . 1 . 2]" 1
84 1 15 THR MG 1 43 ARG HB3 . . 4.460 3.033 2.290 3.830 . 0 0 "[ . 1 . 2]" 1
85 1 15 THR MG 1 43 ARG QD . . 4.690 3.843 2.514 4.752 0.062 1 0 "[ . 1 . 2]" 1
86 1 15 THR MG 1 44 GLY QA . . 5.110 2.943 2.470 3.461 . 0 0 "[ . 1 . 2]" 1
87 1 15 THR MG 1 45 LEU H . . 4.640 4.624 4.130 4.809 0.169 19 0 "[ . 1 . 2]" 1
88 1 16 THR H 1 44 GLY H . . 4.880 4.262 3.717 4.658 . 0 0 "[ . 1 . 2]" 1
89 1 16 THR H 1 44 GLY HA2 . . 5.260 2.526 1.676 3.255 . 0 0 "[ . 1 . 2]" 1
90 1 16 THR H 1 44 GLY QA . . 4.390 2.243 1.668 2.597 . 0 0 "[ . 1 . 2]" 1
91 1 16 THR H 1 44 GLY HA3 . . 5.260 2.820 2.033 3.973 . 0 0 "[ . 1 . 2]" 1
92 1 16 THR HA 1 44 GLY QA . . 4.960 4.641 4.271 5.006 0.046 2 0 "[ . 1 . 2]" 1
93 1 16 THR HB 1 45 LEU H . . 5.290 5.187 4.243 5.352 0.062 6 0 "[ . 1 . 2]" 1
94 1 16 THR HB 1 45 LEU QD . . 5.440 4.398 2.816 5.431 . 0 0 "[ . 1 . 2]" 1
95 1 16 THR MG 1 44 GLY H . . 4.500 4.021 3.071 4.591 0.091 8 0 "[ . 1 . 2]" 1
96 1 16 THR MG 1 44 GLY HA2 . . 4.310 2.262 1.810 2.792 . 0 0 "[ . 1 . 2]" 1
97 1 16 THR MG 1 44 GLY HA3 . . 4.310 3.383 2.654 4.319 0.009 5 0 "[ . 1 . 2]" 1
98 1 16 THR MG 1 45 LEU H . . 4.150 3.577 3.131 4.082 . 0 0 "[ . 1 . 2]" 1
99 1 16 THR MG 1 45 LEU HA . . 5.500 5.338 4.877 5.557 0.057 6 0 "[ . 1 . 2]" 1
100 1 16 THR MG 1 45 LEU QB . . 4.630 4.350 3.293 4.740 0.110 11 0 "[ . 1 . 2]" 1
101 1 18 ARG H 1 19 LEU H . . 5.100 3.325 1.754 4.385 . 0 0 "[ . 1 . 2]" 1
102 1 18 ARG HA 1 18 ARG QD . . 4.430 4.049 3.076 4.457 0.027 4 0 "[ . 1 . 2]" 1
103 1 18 ARG HA 1 43 ARG HB2 . . 5.500 5.013 3.561 5.534 0.034 13 0 "[ . 1 . 2]" 1
104 1 18 ARG HA 1 43 ARG HB3 . . 5.380 4.425 3.745 5.317 . 0 0 "[ . 1 . 2]" 1
105 1 18 ARG HA 1 43 ARG QG . . 3.840 2.863 1.881 3.853 0.013 14 0 "[ . 1 . 2]" 1
106 1 18 ARG QB 1 18 ARG QD . . 2.980 2.235 2.061 2.705 . 0 0 "[ . 1 . 2]" 1
107 1 20 PRO HA 1 42 LYS HA . . 3.670 3.298 2.220 3.673 0.003 10 0 "[ . 1 . 2]" 1
108 1 20 PRO HA 1 42 LYS QB . . 4.010 2.313 1.840 3.021 . 0 0 "[ . 1 . 2]" 1
109 1 21 VAL H 1 21 VAL QG . . 3.340 2.095 1.878 2.344 . 0 0 "[ . 1 . 2]" 1
110 1 21 VAL H 1 42 LYS HA . . 3.580 3.169 1.764 3.609 0.029 2 0 "[ . 1 . 2]" 1
111 1 21 VAL H 1 42 LYS QB . . 3.560 2.247 1.883 2.689 . 0 0 "[ . 1 . 2]" 1
112 1 21 VAL H 1 42 LYS HG3 . . 4.750 4.526 4.236 4.822 0.072 8 0 "[ . 1 . 2]" 1
113 1 21 VAL QG 1 25 LYS QE . . 4.480 3.670 2.892 4.506 0.026 10 0 "[ . 1 . 2]" 1
114 1 21 VAL QG 1 40 ILE HA . . 4.500 4.221 3.918 4.669 0.169 6 0 "[ . 1 . 2]" 1
115 1 21 VAL QG 1 40 ILE HB . . 4.780 3.185 2.723 3.489 . 0 0 "[ . 1 . 2]" 1
116 1 21 VAL QG 1 40 ILE MG . . 3.210 2.118 1.821 2.890 . 0 0 "[ . 1 . 2]" 1
117 1 21 VAL QG 1 41 THR H . . 4.410 3.705 3.358 4.112 . 0 0 "[ . 1 . 2]" 1
118 1 21 VAL QG 1 41 THR HA . . 4.020 2.681 2.418 2.985 . 0 0 "[ . 1 . 2]" 1
119 1 21 VAL QG 1 42 LYS H . . 4.840 2.805 2.619 3.077 . 0 0 "[ . 1 . 2]" 1
120 1 21 VAL QG 1 42 LYS HA . . 3.360 2.165 1.899 2.607 . 0 0 "[ . 1 . 2]" 1
121 1 21 VAL QG 1 42 LYS QB . . 3.160 2.168 1.878 2.796 . 0 0 "[ . 1 . 2]" 1
122 1 21 VAL QG 1 42 LYS QD . . 4.170 4.092 3.166 4.309 0.139 19 0 "[ . 1 . 2]" 1
123 1 21 VAL QG 1 42 LYS HG3 . . 4.170 3.394 2.848 4.198 0.028 13 0 "[ . 1 . 2]" 1
124 1 21 VAL QG 1 44 GLY H . . 5.120 4.452 3.966 4.971 . 0 0 "[ . 1 . 2]" 1
125 1 21 VAL QG 2 31 GLU QG . . 5.070 3.927 2.496 5.018 . 0 0 "[ . 1 . 2]" 1
126 1 22 SER H 2 32 GLY QA . . 5.290 4.735 3.809 5.238 . 0 0 "[ . 1 . 2]" 1
127 1 23 ARG HA 1 23 ARG QD . . 4.420 3.616 2.037 4.470 0.050 6 0 "[ . 1 . 2]" 1
128 1 23 ARG HA 1 24 ILE MD . . 5.500 4.209 3.881 4.525 . 0 0 "[ . 1 . 2]" 1
129 1 23 ARG QB 1 23 ARG QD . . 3.100 2.288 2.057 2.842 . 0 0 "[ . 1 . 2]" 1
130 1 24 ILE H 1 24 ILE HB . . 3.810 2.619 2.557 2.744 . 0 0 "[ . 1 . 2]" 1
131 1 24 ILE H 1 24 ILE MD . . 5.340 3.170 2.917 3.422 . 0 0 "[ . 1 . 2]" 1
132 1 24 ILE H 1 24 ILE HG12 . . 4.160 2.199 2.013 2.477 . 0 0 "[ . 1 . 2]" 1
133 1 24 ILE H 1 24 ILE HG13 . . 4.320 3.664 3.546 3.837 . 0 0 "[ . 1 . 2]" 1
134 1 24 ILE H 1 24 ILE MG . . 3.780 3.790 3.765 3.814 0.034 20 0 "[ . 1 . 2]" 1
135 1 24 ILE HA 1 24 ILE MD . . 2.950 2.292 2.235 2.344 . 0 0 "[ . 1 . 2]" 1
136 1 24 ILE HA 1 24 ILE HG12 . . 4.140 3.330 3.268 3.386 . 0 0 "[ . 1 . 2]" 1
137 1 24 ILE HA 1 24 ILE HG13 . . 4.090 3.911 3.883 3.939 . 0 0 "[ . 1 . 2]" 1
138 1 24 ILE HA 1 24 ILE MG . . 3.610 2.329 2.296 2.370 . 0 0 "[ . 1 . 2]" 1
139 1 24 ILE HA 1 40 ILE MD . . 5.500 5.401 5.157 5.512 0.012 19 0 "[ . 1 . 2]" 1
140 1 24 ILE HA 1 40 ILE HG13 . . 4.960 5.082 5.045 5.116 0.156 5 0 "[ . 1 . 2]" 1
141 1 24 ILE HA 1 40 ILE MG . . 5.480 4.667 4.070 5.201 . 0 0 "[ . 1 . 2]" 1
142 1 24 ILE HA 1 41 THR HA . . 3.630 3.198 2.958 3.515 . 0 0 "[ . 1 . 2]" 1
143 1 24 ILE HB 1 24 ILE MD . . 3.430 3.245 3.228 3.255 . 0 0 "[ . 1 . 2]" 1
144 1 24 ILE HB 1 41 THR HA . . 5.500 5.098 4.998 5.188 . 0 0 "[ . 1 . 2]" 1
145 1 24 ILE HB 1 41 THR MG . . 4.450 4.381 4.279 4.511 0.061 5 0 "[ . 1 . 2]" 1
146 1 24 ILE MD 1 39 PHE QD . . 5.370 5.160 4.958 5.376 0.006 7 0 "[ . 1 . 2]" 1
147 1 24 ILE MD 1 40 ILE HA . . 5.480 5.163 4.967 5.313 . 0 0 "[ . 1 . 2]" 1
148 1 24 ILE MD 1 41 THR HA . . 5.460 1.783 1.739 1.848 . 0 0 "[ . 1 . 2]" 1
149 1 24 ILE MD 1 41 THR MG . . 3.990 2.058 1.910 2.196 . 0 0 "[ . 1 . 2]" 1
150 1 24 ILE HG12 1 41 THR HA . . 5.130 4.353 4.239 4.442 . 0 0 "[ . 1 . 2]" 1
151 1 24 ILE HG12 1 41 THR HB . . 5.040 5.124 5.055 5.175 0.135 3 0 "[ . 1 . 2]" 1
152 1 24 ILE HG13 1 24 ILE MG . . 3.240 2.350 2.330 2.374 . 0 0 "[ . 1 . 2]" 1
153 1 24 ILE HG13 1 41 THR HA . . 4.530 4.252 4.162 4.328 . 0 0 "[ . 1 . 2]" 1
154 1 24 ILE HG13 1 41 THR HB . . 4.990 4.360 4.235 4.486 . 0 0 "[ . 1 . 2]" 1
155 1 24 ILE HG13 1 42 LYS H . . 5.310 4.836 4.684 5.129 . 0 0 "[ . 1 . 2]" 1
156 1 24 ILE MG 1 39 PHE HA . . 5.150 3.648 3.084 4.005 . 0 0 "[ . 1 . 2]" 1
157 1 24 ILE MG 1 39 PHE HB3 . . 4.920 3.056 2.311 3.538 . 0 0 "[ . 1 . 2]" 1
158 1 24 ILE MG 1 39 PHE QD . . 3.840 2.688 2.329 2.997 . 0 0 "[ . 1 . 2]" 1
159 1 24 ILE MG 1 39 PHE QE . . 4.070 4.145 4.085 4.220 0.150 20 0 "[ . 1 . 2]" 1
160 1 24 ILE MG 1 40 ILE H . . 4.130 3.524 3.080 3.746 . 0 0 "[ . 1 . 2]" 1
161 1 24 ILE MG 1 40 ILE HA . . 4.960 4.714 4.249 4.971 0.011 20 0 "[ . 1 . 2]" 1
162 1 24 ILE MG 1 41 THR HA . . 3.430 2.792 2.624 2.891 . 0 0 "[ . 1 . 2]" 1
163 1 24 ILE MG 1 42 LYS H . . 4.430 4.519 4.454 4.583 0.153 13 0 "[ . 1 . 2]" 1
164 1 25 LYS H 1 25 LYS QG . . 4.660 2.445 1.996 3.232 . 0 0 "[ . 1 . 2]" 1
165 1 25 LYS H 1 27 TYR QE . . 5.330 5.352 5.226 5.431 0.101 16 0 "[ . 1 . 2]" 1
166 1 25 LYS H 1 39 PHE HA . . 5.450 4.304 3.931 4.557 . 0 0 "[ . 1 . 2]" 1
167 1 25 LYS H 1 40 ILE H . . 4.350 2.880 2.578 3.114 . 0 0 "[ . 1 . 2]" 1
168 1 25 LYS H 1 40 ILE HB . . 4.090 2.931 2.384 3.522 . 0 0 "[ . 1 . 2]" 1
169 1 25 LYS H 1 40 ILE HG13 . . 4.590 3.487 3.315 3.634 . 0 0 "[ . 1 . 2]" 1
170 1 25 LYS HA 1 25 LYS QE . . 4.320 3.925 3.488 4.314 . 0 0 "[ . 1 . 2]" 1
171 1 25 LYS QB 1 25 LYS QD . . 2.550 2.313 2.212 2.649 0.099 2 0 "[ . 1 . 2]" 1
172 1 25 LYS QB 1 25 LYS QE . . 2.960 2.051 1.755 2.631 . 0 0 "[ . 1 . 2]" 1
173 1 25 LYS QB 1 26 THR H . . 4.320 2.599 2.460 2.760 . 0 0 "[ . 1 . 2]" 1
174 1 25 LYS QB 1 27 TYR QE . . 4.710 3.924 3.658 4.293 . 0 0 "[ . 1 . 2]" 1
175 1 25 LYS QB 1 40 ILE H . . 5.030 4.790 4.586 5.100 0.070 7 0 "[ . 1 . 2]" 1
176 1 25 LYS QB 1 40 ILE HG13 . . 4.770 4.374 4.049 4.804 0.034 6 0 "[ . 1 . 2]" 1
177 1 25 LYS QB 2 31 GLU QG . . 4.600 4.735 4.608 4.879 0.279 10 0 "[ . 1 . 2]" 1
178 1 25 LYS QD 1 27 TYR QD . . 4.300 4.030 3.667 4.335 0.035 19 0 "[ . 1 . 2]" 1
179 1 25 LYS QD 1 27 TYR QE . . 3.830 2.197 1.928 2.557 . 0 0 "[ . 1 . 2]" 1
180 1 25 LYS QD 1 40 ILE HB . . 3.840 3.567 2.251 3.866 0.026 16 0 "[ . 1 . 2]" 1
181 1 25 LYS QD 1 40 ILE MD . . 3.780 1.961 1.794 2.095 . 0 0 "[ . 1 . 2]" 1
182 1 25 LYS QD 1 40 ILE HG13 . . 3.360 3.386 2.510 3.486 0.126 8 0 "[ . 1 . 2]" 1
183 1 25 LYS QD 1 40 ILE MG . . 4.070 3.881 3.282 4.071 0.001 17 0 "[ . 1 . 2]" 1
184 1 25 LYS QD 2 29 ILE MD . . 4.890 4.120 3.743 4.500 . 0 0 "[ . 1 . 2]" 1
185 1 25 LYS QD 2 29 ILE MG . . 4.500 3.138 2.496 3.501 . 0 0 "[ . 1 . 2]" 1
186 1 25 LYS QE 1 25 LYS QG . . 3.400 2.298 2.155 2.857 . 0 0 "[ . 1 . 2]" 1
187 1 25 LYS QE 1 26 THR H . . 5.500 5.114 4.590 5.479 . 0 0 "[ . 1 . 2]" 1
188 1 25 LYS QE 1 27 TYR QE . . 4.350 3.953 3.584 4.357 0.007 19 0 "[ . 1 . 2]" 1
189 1 25 LYS QE 1 40 ILE H . . 5.500 4.542 2.572 5.602 0.102 10 0 "[ . 1 . 2]" 1
190 1 25 LYS QE 1 40 ILE HB . . 4.320 3.056 1.778 4.093 . 0 0 "[ . 1 . 2]" 1
191 1 25 LYS QE 1 40 ILE MD . . 4.950 2.900 2.426 3.260 . 0 0 "[ . 1 . 2]" 1
192 1 25 LYS QE 1 40 ILE MG . . 4.130 3.748 3.274 4.238 0.108 16 0 "[ . 1 . 2]" 1
193 1 25 LYS QE 2 29 ILE MD . . 5.380 5.318 4.744 5.594 0.214 14 0 "[ . 1 . 2]" 1
194 1 25 LYS QE 2 29 ILE MG . . 5.230 4.385 3.924 4.615 . 0 0 "[ . 1 . 2]" 1
195 1 25 LYS QG 1 26 THR H . . 4.730 3.566 3.401 3.739 . 0 0 "[ . 1 . 2]" 1
196 1 25 LYS QG 1 27 TYR QD . . 4.700 3.072 2.869 3.284 . 0 0 "[ . 1 . 2]" 1
197 1 25 LYS QG 1 27 TYR QE . . 4.470 2.285 1.989 2.495 . 0 0 "[ . 1 . 2]" 1
198 1 25 LYS QG 1 40 ILE H . . 5.090 3.388 3.057 4.003 . 0 0 "[ . 1 . 2]" 1
199 1 25 LYS QG 1 40 ILE HB . . 4.260 2.860 2.162 3.959 . 0 0 "[ . 1 . 2]" 1
200 1 25 LYS QG 1 40 ILE HG13 . . 5.220 2.403 2.108 2.958 . 0 0 "[ . 1 . 2]" 1
201 1 25 LYS QG 1 40 ILE MG . . 4.650 3.948 3.335 4.746 0.096 20 0 "[ . 1 . 2]" 1
202 1 26 THR H 1 26 THR HB . . 3.930 3.672 3.540 3.743 . 0 0 "[ . 1 . 2]" 1
203 1 26 THR H 1 26 THR MG . . 4.020 3.174 3.008 3.334 . 0 0 "[ . 1 . 2]" 1
204 1 26 THR H 1 27 TYR H . . 5.010 4.260 4.205 4.312 . 0 0 "[ . 1 . 2]" 1
205 1 26 THR H 1 39 PHE HA . . 5.420 4.909 4.749 5.037 . 0 0 "[ . 1 . 2]" 1
206 1 26 THR HA 1 26 THR MG . . 3.560 2.263 2.215 2.307 . 0 0 "[ . 1 . 2]" 1
207 1 26 THR HA 1 37 VAL QG . . 4.870 3.684 3.335 3.948 . 0 0 "[ . 1 . 2]" 1
208 1 26 THR HA 1 38 ILE H . . 4.990 3.711 3.522 3.878 . 0 0 "[ . 1 . 2]" 1
209 1 26 THR HA 1 38 ILE MG . . 5.120 4.327 4.160 4.637 . 0 0 "[ . 1 . 2]" 1
210 1 26 THR HA 1 39 PHE HA . . 4.130 2.836 2.671 2.951 . 0 0 "[ . 1 . 2]" 1
211 1 26 THR HA 1 40 ILE H . . 4.550 3.664 3.554 3.835 . 0 0 "[ . 1 . 2]" 1
212 1 26 THR HA 1 40 ILE HG13 . . 5.500 4.136 3.935 4.403 . 0 0 "[ . 1 . 2]" 1
213 1 26 THR HB 1 27 TYR H . . 4.060 3.165 3.072 3.279 . 0 0 "[ . 1 . 2]" 1
214 1 26 THR HB 1 37 VAL MG1 . . 4.640 2.263 2.010 2.550 . 0 0 "[ . 1 . 2]" 1
215 1 26 THR HB 1 37 VAL QG . . 3.640 2.256 2.006 2.539 . 0 0 "[ . 1 . 2]" 1
216 1 26 THR HB 1 37 VAL MG2 . . 4.640 4.420 4.186 4.655 0.015 4 0 "[ . 1 . 2]" 1
217 1 26 THR HB 1 38 ILE H . . 5.350 3.635 3.235 4.089 . 0 0 "[ . 1 . 2]" 1
218 1 26 THR HB 1 39 PHE QE . . 5.470 4.887 4.673 5.085 . 0 0 "[ . 1 . 2]" 1
219 1 26 THR MG 1 37 VAL HB . . 4.420 4.479 4.451 4.524 0.104 3 0 "[ . 1 . 2]" 1
220 1 26 THR MG 1 37 VAL QG . . 3.140 2.339 2.277 2.428 . 0 0 "[ . 1 . 2]" 1
221 1 26 THR MG 1 38 ILE H . . 4.280 3.817 3.540 4.282 0.002 17 0 "[ . 1 . 2]" 1
222 1 26 THR MG 1 39 PHE HA . . 3.810 2.354 2.167 2.538 . 0 0 "[ . 1 . 2]" 1
223 1 26 THR MG 1 39 PHE HB2 . . 5.290 4.024 3.894 4.199 . 0 0 "[ . 1 . 2]" 1
224 1 26 THR MG 1 39 PHE HB3 . . 5.010 3.685 3.414 3.879 . 0 0 "[ . 1 . 2]" 1
225 1 26 THR MG 1 39 PHE QD . . 3.780 2.756 2.656 2.850 . 0 0 "[ . 1 . 2]" 1
226 1 26 THR MG 1 39 PHE QE . . 3.630 2.868 2.771 2.944 . 0 0 "[ . 1 . 2]" 1
227 1 26 THR MG 1 40 ILE H . . 4.040 3.911 3.729 4.087 0.047 17 0 "[ . 1 . 2]" 1
228 1 26 THR MG 1 46 LYS QD . . 4.810 4.828 4.543 5.000 0.190 5 0 "[ . 1 . 2]" 1
229 1 26 THR MG 1 46 LYS QE . . 4.910 4.896 4.582 5.085 0.175 19 0 "[ . 1 . 2]" 1
230 1 27 TYR H 1 27 TYR HB2 . . 4.160 2.433 2.316 2.556 . 0 0 "[ . 1 . 2]" 1
231 1 27 TYR H 1 27 TYR HB3 . . 4.020 3.664 3.603 3.727 . 0 0 "[ . 1 . 2]" 1
232 1 27 TYR H 1 27 TYR QD . . 4.190 2.778 2.580 3.017 . 0 0 "[ . 1 . 2]" 1
233 1 27 TYR H 1 27 TYR QE . . 5.130 4.851 4.684 4.948 . 0 0 "[ . 1 . 2]" 1
234 1 27 TYR H 1 37 VAL HA . . 4.720 4.249 3.975 4.493 . 0 0 "[ . 1 . 2]" 1
235 1 27 TYR H 1 37 VAL QG . . 4.510 3.683 3.242 3.936 . 0 0 "[ . 1 . 2]" 1
236 1 27 TYR H 1 38 ILE H . . 3.870 2.506 2.284 2.686 . 0 0 "[ . 1 . 2]" 1
237 1 27 TYR H 1 38 ILE HB . . 4.790 2.491 2.177 2.931 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR H 1 38 ILE MD . . 5.310 3.863 3.311 4.178 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR H 1 38 ILE HG12 . . 5.500 5.228 5.029 5.482 . 0 0 "[ . 1 . 2]" 1
240 1 27 TYR H 1 38 ILE HG13 . . 5.500 4.301 3.987 5.019 . 0 0 "[ . 1 . 2]" 1
241 1 27 TYR H 1 38 ILE MG . . 5.500 3.824 3.613 4.146 . 0 0 "[ . 1 . 2]" 1
242 1 27 TYR H 1 39 PHE HA . . 5.270 4.312 4.145 4.472 . 0 0 "[ . 1 . 2]" 1
243 1 27 TYR H 2 29 ILE MD . . 5.060 4.954 4.575 5.183 0.123 18 0 "[ . 1 . 2]" 1
244 1 27 TYR HA 1 27 TYR QD . . 4.280 2.935 2.700 3.134 . 0 0 "[ . 1 . 2]" 1
245 1 27 TYR HA 1 27 TYR QE . . 5.050 4.578 4.418 4.705 . 0 0 "[ . 1 . 2]" 1
246 1 27 TYR HB2 1 28 THR H . . 5.280 4.159 4.033 4.330 . 0 0 "[ . 1 . 2]" 1
247 1 27 TYR HB2 1 29 ILE MD . . 4.780 4.632 3.992 4.809 0.029 12 0 "[ . 1 . 2]" 1
248 1 27 TYR HB2 1 38 ILE H . . 5.140 3.520 2.986 3.792 . 0 0 "[ . 1 . 2]" 1
249 1 27 TYR HB2 1 38 ILE HB . . 4.140 2.218 2.044 2.384 . 0 0 "[ . 1 . 2]" 1
250 1 27 TYR HB2 1 38 ILE MD . . 4.550 2.264 1.943 2.573 . 0 0 "[ . 1 . 2]" 1
251 1 27 TYR HB2 1 38 ILE HG13 . . 5.500 3.727 3.426 4.436 . 0 0 "[ . 1 . 2]" 1
252 1 27 TYR HB2 1 38 ILE MG . . 5.010 3.572 3.215 3.839 . 0 0 "[ . 1 . 2]" 1
253 1 27 TYR HB2 1 40 ILE MD . . 4.730 4.589 4.201 4.793 0.063 17 0 "[ . 1 . 2]" 1
254 1 27 TYR HB2 2 29 ILE MD . . 5.440 3.648 3.234 4.090 . 0 0 "[ . 1 . 2]" 1
255 1 27 TYR HB3 1 28 THR H . . 4.600 3.151 2.909 3.509 . 0 0 "[ . 1 . 2]" 1
256 1 27 TYR HB3 1 29 ILE MD . . 4.560 4.478 3.504 4.695 0.135 6 0 "[ . 1 . 2]" 1
257 1 27 TYR HB3 1 38 ILE H . . 5.100 4.605 4.135 4.915 . 0 0 "[ . 1 . 2]" 1
258 1 27 TYR HB3 1 38 ILE HB . . 4.410 3.879 3.677 4.079 . 0 0 "[ . 1 . 2]" 1
259 1 27 TYR HB3 1 38 ILE MD . . 4.450 2.941 2.406 3.464 . 0 0 "[ . 1 . 2]" 1
260 1 27 TYR HB3 1 38 ILE HG13 . . 5.500 4.706 4.252 5.563 0.063 16 0 "[ . 1 . 2]" 1
261 1 27 TYR HB3 1 38 ILE MG . . 5.120 4.925 4.524 5.145 0.025 17 0 "[ . 1 . 2]" 1
262 1 27 TYR HB3 2 29 ILE MD . . 5.090 4.442 3.975 4.914 . 0 0 "[ . 1 . 2]" 1
263 1 27 TYR QD 1 28 THR H . . 4.840 3.944 3.795 4.228 . 0 0 "[ . 1 . 2]" 1
264 1 27 TYR QD 1 38 ILE HB . . 3.990 3.032 2.744 3.311 . 0 0 "[ . 1 . 2]" 1
265 1 27 TYR QD 1 38 ILE MD . . 4.180 3.721 3.485 3.974 . 0 0 "[ . 1 . 2]" 1
266 1 27 TYR QD 1 38 ILE HG13 . . 5.500 5.272 5.087 5.592 0.092 17 0 "[ . 1 . 2]" 1
267 1 27 TYR QD 1 38 ILE MG . . 4.720 3.452 3.129 3.820 . 0 0 "[ . 1 . 2]" 1
268 1 27 TYR QD 1 40 ILE MD . . 4.190 2.689 2.252 2.980 . 0 0 "[ . 1 . 2]" 1
269 1 27 TYR QD 1 40 ILE HG13 . . 4.650 3.215 3.043 3.417 . 0 0 "[ . 1 . 2]" 1
270 1 27 TYR QD 2 29 ILE MD . . 4.150 2.897 2.335 3.347 . 0 0 "[ . 1 . 2]" 1
271 1 27 TYR QD 2 29 ILE HG12 . . 5.500 3.967 3.628 4.336 . 0 0 "[ . 1 . 2]" 1
272 1 27 TYR QD 2 29 ILE MG . . 4.390 3.998 3.578 4.412 0.022 12 0 "[ . 1 . 2]" 1
273 1 27 TYR QE 1 38 ILE MD . . 5.250 5.292 5.060 5.384 0.134 8 0 "[ . 1 . 2]" 1
274 1 27 TYR QE 1 38 ILE MG . . 5.500 4.838 4.609 5.157 . 0 0 "[ . 1 . 2]" 1
275 1 27 TYR QE 1 40 ILE HB . . 4.690 4.645 4.473 4.725 0.035 11 0 "[ . 1 . 2]" 1
276 1 27 TYR QE 1 40 ILE MD . . 3.470 1.937 1.810 2.133 . 0 0 "[ . 1 . 2]" 1
277 1 27 TYR QE 1 40 ILE HG12 . . 4.280 4.124 3.809 4.316 0.036 2 0 "[ . 1 . 2]" 1
278 1 27 TYR QE 1 40 ILE HG13 . . 4.550 3.276 2.934 3.523 . 0 0 "[ . 1 . 2]" 1
279 1 27 TYR QE 2 29 ILE MD . . 4.170 2.887 2.330 3.457 . 0 0 "[ . 1 . 2]" 1
280 1 27 TYR QE 2 29 ILE HG12 . . 4.520 3.558 3.234 4.081 . 0 0 "[ . 1 . 2]" 1
281 1 27 TYR QE 2 29 ILE MG . . 4.110 2.656 2.131 3.209 . 0 0 "[ . 1 . 2]" 1
282 1 27 TYR QE 2 31 GLU HG2 . . 5.090 4.184 3.188 5.234 0.144 18 0 "[ . 1 . 2]" 1
283 1 27 TYR QE 2 31 GLU HG3 . . 5.090 4.523 3.568 5.209 0.119 1 0 "[ . 1 . 2]" 1
284 1 28 THR H 1 28 THR HB . . 3.750 2.845 2.540 3.708 . 0 0 "[ . 1 . 2]" 1
285 1 28 THR HA 1 29 ILE H . . 3.560 2.048 1.989 2.114 . 0 0 "[ . 1 . 2]" 1
286 1 28 THR HA 1 36 CYS H . . 4.780 4.114 3.763 4.632 . 0 0 "[ . 1 . 2]" 1
287 1 28 THR HA 1 37 VAL H . . 5.300 4.687 4.554 4.820 . 0 0 "[ . 1 . 2]" 1
288 1 28 THR HA 1 37 VAL HA . . 4.070 2.426 2.264 2.661 . 0 0 "[ . 1 . 2]" 1
289 1 28 THR HA 1 37 VAL HB . . 5.500 5.240 4.739 5.537 0.037 11 0 "[ . 1 . 2]" 1
290 1 28 THR HA 1 37 VAL MG1 . . 4.730 3.723 3.120 4.109 . 0 0 "[ . 1 . 2]" 1
291 1 28 THR HA 1 37 VAL QG . . 4.120 3.076 2.440 3.423 . 0 0 "[ . 1 . 2]" 1
292 1 28 THR HA 1 37 VAL MG2 . . 4.730 3.282 2.548 3.663 . 0 0 "[ . 1 . 2]" 1
293 1 28 THR HA 1 38 ILE H . . 4.410 3.671 3.490 3.973 . 0 0 "[ . 1 . 2]" 1
294 1 28 THR HB 1 29 ILE H . . 4.370 3.966 3.195 4.207 . 0 0 "[ . 1 . 2]" 1
295 1 28 THR HB 1 37 VAL QG . . 5.030 4.196 3.761 4.465 . 0 0 "[ . 1 . 2]" 1
296 1 28 THR MG 1 29 ILE H . . 4.230 2.842 2.528 3.605 . 0 0 "[ . 1 . 2]" 1
297 1 28 THR MG 1 35 ARG HA . . 5.010 3.769 3.242 5.065 0.055 13 0 "[ . 1 . 2]" 1
298 1 28 THR MG 1 35 ARG QD . . 4.400 4.090 3.165 4.547 0.147 16 0 "[ . 1 . 2]" 1
299 1 28 THR MG 1 36 CYS H . . 4.780 3.317 2.770 4.253 . 0 0 "[ . 1 . 2]" 1
300 1 28 THR MG 1 37 VAL H . . 5.030 4.589 4.324 4.864 . 0 0 "[ . 1 . 2]" 1
301 1 28 THR MG 1 37 VAL HB . . 4.720 4.732 4.364 4.829 0.109 14 0 "[ . 1 . 2]" 1
302 1 28 THR MG 1 37 VAL MG1 . . 4.650 3.539 2.738 3.776 . 0 0 "[ . 1 . 2]" 1
303 1 28 THR MG 1 37 VAL QG . . 3.290 2.127 1.905 2.290 . 0 0 "[ . 1 . 2]" 1
304 1 28 THR MG 1 37 VAL MG2 . . 4.650 2.147 1.941 2.310 . 0 0 "[ . 1 . 2]" 1
305 1 29 ILE H 1 29 ILE HB . . 3.910 2.527 2.418 2.833 . 0 0 "[ . 1 . 2]" 1
306 1 29 ILE H 1 29 ILE MD . . 4.620 3.782 3.665 3.987 . 0 0 "[ . 1 . 2]" 1
307 1 29 ILE H 1 29 ILE HG12 . . 4.240 3.842 3.571 3.998 . 0 0 "[ . 1 . 2]" 1
308 1 29 ILE H 1 29 ILE HG13 . . 4.280 2.612 2.288 2.917 . 0 0 "[ . 1 . 2]" 1
309 1 29 ILE H 1 29 ILE MG . . 4.760 3.772 3.690 3.840 . 0 0 "[ . 1 . 2]" 1
310 1 29 ILE H 1 30 THR H . . 4.770 4.363 4.262 4.480 . 0 0 "[ . 1 . 2]" 1
311 1 29 ILE H 1 35 ARG HA . . 4.800 4.368 4.136 4.623 . 0 0 "[ . 1 . 2]" 1
312 1 29 ILE H 1 36 CYS H . . 4.060 2.639 2.386 3.060 . 0 0 "[ . 1 . 2]" 1
313 1 29 ILE H 1 36 CYS HB2 . . 5.100 3.535 2.978 3.851 . 0 0 "[ . 1 . 2]" 1
314 1 29 ILE H 1 37 VAL H . . 4.650 4.658 4.571 4.737 0.087 9 0 "[ . 1 . 2]" 1
315 1 29 ILE H 1 37 VAL HA . . 4.780 3.581 3.425 3.823 . 0 0 "[ . 1 . 2]" 1
316 1 29 ILE HB 1 31 GLU HG2 . . 5.500 4.877 4.157 5.581 0.081 20 0 "[ . 1 . 2]" 1
317 1 29 ILE HB 1 31 GLU QG . . 4.840 4.353 3.959 4.960 0.120 2 0 "[ . 1 . 2]" 1
318 1 29 ILE HB 1 31 GLU HG3 . . 5.500 5.257 4.057 5.599 0.099 18 0 "[ . 1 . 2]" 1
319 1 29 ILE HB 1 34 LEU QD . . 4.490 3.530 3.013 4.029 . 0 0 "[ . 1 . 2]" 1
320 1 29 ILE HB 1 35 ARG HA . . 5.370 4.607 4.183 4.847 . 0 0 "[ . 1 . 2]" 1
321 1 29 ILE HB 1 36 CYS H . . 4.570 2.951 2.748 3.140 . 0 0 "[ . 1 . 2]" 1
322 1 29 ILE HB 1 36 CYS HB2 . . 4.280 2.027 1.784 2.411 . 0 0 "[ . 1 . 2]" 1
323 1 29 ILE HB 1 36 CYS HB3 . . 4.530 2.393 1.814 3.656 . 0 0 "[ . 1 . 2]" 1
324 1 29 ILE HB 1 37 VAL QG . . 5.440 5.485 5.349 5.574 0.134 11 0 "[ . 1 . 2]" 1
325 1 29 ILE MD 1 29 ILE MG . . 2.830 1.970 1.853 2.161 . 0 0 "[ . 1 . 2]" 1
326 1 29 ILE MD 1 36 CYS H . . 5.200 4.714 4.451 4.876 . 0 0 "[ . 1 . 2]" 1
327 1 29 ILE MD 1 36 CYS HA . . 5.500 5.032 4.731 5.420 . 0 0 "[ . 1 . 2]" 1
328 1 29 ILE MD 1 36 CYS HB2 . . 4.470 3.105 2.712 3.380 . 0 0 "[ . 1 . 2]" 1
329 1 29 ILE MD 1 36 CYS HB3 . . 4.790 2.665 2.182 3.220 . 0 0 "[ . 1 . 2]" 1
330 1 29 ILE MD 1 37 VAL H . . 5.500 5.273 4.832 5.563 0.063 20 0 "[ . 1 . 2]" 1
331 1 29 ILE MD 1 37 VAL HA . . 5.500 5.218 4.726 5.523 0.023 5 0 "[ . 1 . 2]" 1
332 1 29 ILE MD 1 38 ILE H . . 5.460 5.237 4.797 5.477 0.017 20 0 "[ . 1 . 2]" 1
333 1 29 ILE MD 1 38 ILE HB . . 4.870 4.838 4.545 4.936 0.066 14 0 "[ . 1 . 2]" 1
334 1 29 ILE MD 1 38 ILE MD . . 3.570 1.944 1.805 2.194 . 0 0 "[ . 1 . 2]" 1
335 1 29 ILE MD 1 38 ILE HG12 . . 4.790 3.619 3.110 4.044 . 0 0 "[ . 1 . 2]" 1
336 1 29 ILE MD 1 38 ILE HG13 . . 4.350 3.432 2.999 4.115 . 0 0 "[ . 1 . 2]" 1
337 1 29 ILE MD 2 25 LYS QD . . 4.890 4.129 3.690 4.652 . 0 0 "[ . 1 . 2]" 1
338 1 29 ILE MD 2 25 LYS QE . . 5.380 5.379 4.776 5.581 0.201 8 0 "[ . 1 . 2]" 1
339 1 29 ILE MD 2 27 TYR H . . 5.060 5.015 4.697 5.113 0.053 5 0 "[ . 1 . 2]" 1
340 1 29 ILE MD 2 27 TYR HB2 . . 5.440 3.660 3.333 3.870 . 0 0 "[ . 1 . 2]" 1
341 1 29 ILE MD 2 27 TYR HB3 . . 5.090 4.452 4.027 4.754 . 0 0 "[ . 1 . 2]" 1
342 1 29 ILE MD 2 27 TYR QD . . 4.150 2.934 2.540 3.219 . 0 0 "[ . 1 . 2]" 1
343 1 29 ILE MD 2 27 TYR QE . . 4.170 2.932 2.368 3.456 . 0 0 "[ . 1 . 2]" 1
344 1 29 ILE MD 2 38 ILE MG . . 3.150 2.724 2.203 3.181 0.031 9 0 "[ . 1 . 2]" 1
345 1 29 ILE MD 2 40 ILE HG12 . . 5.160 3.028 2.728 3.427 . 0 0 "[ . 1 . 2]" 1
346 1 29 ILE HG12 1 29 ILE MG . . 2.790 2.297 2.078 2.361 . 0 0 "[ . 1 . 2]" 1
347 1 29 ILE HG12 1 36 CYS HB2 . . 4.850 4.859 4.538 4.973 0.123 15 0 "[ . 1 . 2]" 1
348 1 29 ILE HG12 2 27 TYR QD . . 5.500 4.004 3.660 4.266 . 0 0 "[ . 1 . 2]" 1
349 1 29 ILE HG12 2 27 TYR QE . . 4.520 3.595 3.247 3.868 . 0 0 "[ . 1 . 2]" 1
350 1 29 ILE HG12 2 40 ILE MD . . 3.350 3.385 3.112 3.555 0.205 9 0 "[ . 1 . 2]" 1
351 1 29 ILE HG13 1 36 CYS H . . 5.320 4.698 4.199 5.115 . 0 0 "[ . 1 . 2]" 1
352 1 29 ILE HG13 1 36 CYS HB2 . . 4.950 4.083 3.642 4.407 . 0 0 "[ . 1 . 2]" 1
353 1 29 ILE HG13 1 36 CYS HB3 . . 5.400 3.428 2.663 4.367 . 0 0 "[ . 1 . 2]" 1
354 1 29 ILE HG13 1 37 VAL HA . . 5.500 4.766 3.920 5.110 . 0 0 "[ . 1 . 2]" 1
355 1 29 ILE HG13 2 40 ILE MD . . 4.000 4.149 3.915 4.206 0.206 1 0 "[ . 1 . 2]" 1
356 1 29 ILE MG 1 30 THR HA . . 4.850 3.427 3.230 3.991 . 0 0 "[ . 1 . 2]" 1
357 1 29 ILE MG 1 31 GLU H . . 4.650 2.993 2.047 4.118 . 0 0 "[ . 1 . 2]" 1
358 1 29 ILE MG 1 31 GLU QB . . 4.590 3.217 1.905 4.560 . 0 0 "[ . 1 . 2]" 1
359 1 29 ILE MG 1 31 GLU HG2 . . 5.070 2.449 1.742 4.048 . 0 0 "[ . 1 . 2]" 1
360 1 29 ILE MG 1 31 GLU QG . . 4.390 2.184 1.720 3.593 . 0 0 "[ . 1 . 2]" 1
361 1 29 ILE MG 1 31 GLU HG3 . . 5.070 2.824 1.991 4.017 . 0 0 "[ . 1 . 2]" 1
362 1 29 ILE MG 1 36 CYS H . . 4.750 3.879 3.601 4.347 . 0 0 "[ . 1 . 2]" 1
363 1 29 ILE MG 1 36 CYS HB2 . . 4.960 3.190 2.776 3.978 . 0 0 "[ . 1 . 2]" 1
364 1 29 ILE MG 1 36 CYS HB3 . . 5.370 3.857 3.327 4.920 . 0 0 "[ . 1 . 2]" 1
365 1 29 ILE MG 2 25 LYS QD . . 4.500 3.232 2.591 3.597 . 0 0 "[ . 1 . 2]" 1
366 1 29 ILE MG 2 25 LYS QE . . 5.230 4.397 4.104 4.789 . 0 0 "[ . 1 . 2]" 1
367 1 29 ILE MG 2 27 TYR QD . . 4.390 4.060 3.599 4.432 0.042 11 0 "[ . 1 . 2]" 1
368 1 29 ILE MG 2 27 TYR QE . . 4.110 2.751 2.123 3.245 . 0 0 "[ . 1 . 2]" 1
369 1 29 ILE MG 2 40 ILE MD . . 3.340 1.897 1.687 2.104 . 0 0 "[ . 1 . 2]" 1
370 1 30 THR H 1 30 THR HB . . 3.940 3.845 3.778 3.906 . 0 0 "[ . 1 . 2]" 1
371 1 30 THR H 1 30 THR MG . . 4.200 3.147 2.992 3.286 . 0 0 "[ . 1 . 2]" 1
372 1 30 THR H 1 34 LEU QD . . 5.150 4.744 4.246 5.176 0.026 10 0 "[ . 1 . 2]" 1
373 1 30 THR H 1 36 CYS HB2 . . 5.380 5.535 5.439 5.635 0.255 1 0 "[ . 1 . 2]" 1
374 1 30 THR HA 1 31 GLU H . . 3.340 2.236 2.083 2.787 . 0 0 "[ . 1 . 2]" 1
375 1 30 THR HA 1 31 GLU QB . . 5.500 4.540 3.851 5.050 . 0 0 "[ . 1 . 2]" 1
376 1 30 THR HA 1 34 LEU QD . . 4.930 3.530 2.971 4.116 . 0 0 "[ . 1 . 2]" 1
377 1 30 THR HA 1 35 ARG HG3 . . 5.310 4.538 3.719 5.017 . 0 0 "[ . 1 . 2]" 1
378 1 30 THR HA 1 36 CYS H . . 4.840 3.731 3.401 3.979 . 0 0 "[ . 1 . 2]" 1
379 1 30 THR HB 1 31 GLU H . . 4.160 3.946 3.655 4.255 0.095 11 0 "[ . 1 . 2]" 1
380 1 30 THR HB 1 35 ARG HG3 . . 5.070 5.005 4.436 5.126 0.056 14 0 "[ . 1 . 2]" 1
381 1 30 THR MG 1 35 ARG HA . . 4.520 2.582 2.026 3.114 . 0 0 "[ . 1 . 2]" 1
382 1 30 THR MG 1 35 ARG HB2 . . 4.740 4.384 3.528 4.685 . 0 0 "[ . 1 . 2]" 1
383 1 30 THR MG 1 35 ARG HB3 . . 4.700 3.684 3.152 4.508 . 0 0 "[ . 1 . 2]" 1
384 1 30 THR MG 1 35 ARG QD . . 4.470 3.827 3.490 4.076 . 0 0 "[ . 1 . 2]" 1
385 1 30 THR MG 1 35 ARG HG2 . . 4.270 2.231 1.837 3.944 . 0 0 "[ . 1 . 2]" 1
386 1 30 THR MG 1 36 CYS H . . 4.540 3.646 3.103 4.009 . 0 0 "[ . 1 . 2]" 1
387 1 31 GLU H 1 31 GLU QB . . 3.670 2.768 2.400 3.253 . 0 0 "[ . 1 . 2]" 1
388 1 31 GLU H 1 31 GLU QG . . 3.770 2.727 1.908 3.808 0.038 2 0 "[ . 1 . 2]" 1
389 1 31 GLU H 1 34 LEU HB2 . . 4.570 4.232 3.445 4.649 0.079 1 0 "[ . 1 . 2]" 1
390 1 31 GLU H 1 34 LEU HB3 . . 4.630 2.570 1.779 3.027 . 0 0 "[ . 1 . 2]" 1
391 1 31 GLU H 1 34 LEU QD . . 4.320 2.703 2.187 3.162 . 0 0 "[ . 1 . 2]" 1
392 1 31 GLU H 1 36 CYS H . . 5.160 4.910 4.283 5.217 0.057 3 0 "[ . 1 . 2]" 1
393 1 31 GLU QB 1 34 LEU HB3 . . 4.670 3.616 2.244 4.694 0.024 20 0 "[ . 1 . 2]" 1
394 1 31 GLU QB 1 34 LEU QD . . 3.870 3.230 1.951 4.047 0.177 7 0 "[ . 1 . 2]" 1
395 1 31 GLU QG 1 34 LEU HB3 . . 4.550 3.858 2.390 4.580 0.030 18 0 "[ . 1 . 2]" 1
396 1 31 GLU QG 1 34 LEU QD . . 3.430 2.858 2.038 3.491 0.061 15 0 "[ . 1 . 2]" 1
397 1 31 GLU QG 1 34 LEU HG . . 4.830 4.540 3.546 4.925 0.095 17 0 "[ . 1 . 2]" 1
398 1 31 GLU QG 2 21 VAL QG . . 5.070 4.132 2.928 5.075 0.005 7 0 "[ . 1 . 2]" 1
399 1 31 GLU QG 2 25 LYS QB . . 4.600 4.711 4.626 4.869 0.269 14 0 "[ . 1 . 2]" 1
400 1 31 GLU QG 2 40 ILE MD . . 3.720 2.606 2.061 3.012 . 0 0 "[ . 1 . 2]" 1
401 1 31 GLU QG 2 40 ILE HG13 . . 5.340 4.831 4.312 5.362 0.022 14 0 "[ . 1 . 2]" 1
402 1 31 GLU QG 2 40 ILE MG . . 4.130 3.504 2.275 4.026 . 0 0 "[ . 1 . 2]" 1
403 1 31 GLU HG2 2 27 TYR QE . . 5.090 4.095 2.689 5.204 0.114 18 0 "[ . 1 . 2]" 1
404 1 31 GLU HG2 2 40 ILE MD . . 4.390 3.022 2.328 3.665 . 0 0 "[ . 1 . 2]" 1
405 1 31 GLU HG3 2 27 TYR QE . . 5.090 4.275 3.473 5.229 0.139 1 0 "[ . 1 . 2]" 1
406 1 31 GLU HG3 2 40 ILE MD . . 4.390 3.001 2.114 3.851 . 0 0 "[ . 1 . 2]" 1
407 1 32 GLY QA 2 22 SER H . . 5.290 4.639 3.480 5.195 . 0 0 "[ . 1 . 2]" 1
408 1 34 LEU HA 1 34 LEU MD1 . . 4.370 3.084 2.099 3.443 . 0 0 "[ . 1 . 2]" 1
409 1 34 LEU HA 1 34 LEU QD . . 3.270 2.229 2.090 2.367 . 0 0 "[ . 1 . 2]" 1
410 1 34 LEU HA 1 34 LEU MD2 . . 4.370 2.609 2.161 3.932 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU HA 1 52 GLN QG . . 4.480 3.515 2.675 4.349 . 0 0 "[ . 1 . 2]" 1
412 1 34 LEU QD 1 35 ARG H . . 3.680 2.199 1.802 2.488 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU QD 1 36 CYS H . . 4.370 3.280 2.635 4.400 0.030 16 0 "[ . 1 . 2]" 1
414 1 34 LEU QD 1 36 CYS HA . . 4.530 3.688 3.302 4.323 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU QD 1 36 CYS HB2 . . 3.760 2.689 2.114 3.640 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU QD 1 49 CYS HA . . 4.860 3.504 2.992 4.296 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU QD 1 49 CYS HB2 . . 4.020 3.431 2.685 3.967 . 0 0 "[ . 1 . 2]" 1
418 1 34 LEU QD 1 49 CYS HB3 . . 3.670 2.429 1.687 3.609 . 0 0 "[ . 1 . 2]" 1
419 1 34 LEU QD 1 50 ASP H . . 4.020 2.900 2.556 3.302 . 0 0 "[ . 1 . 2]" 1
420 1 34 LEU QD 1 50 ASP HA . . 5.440 3.848 3.383 4.360 . 0 0 "[ . 1 . 2]" 1
421 1 34 LEU QD 1 50 ASP HB3 . . 4.640 4.303 3.945 4.652 0.012 7 0 "[ . 1 . 2]" 1
422 1 34 LEU QD 1 51 PRO HA . . 3.330 2.173 1.830 2.559 . 0 0 "[ . 1 . 2]" 1
423 1 34 LEU QD 1 51 PRO QB . . 3.950 2.443 1.968 3.292 . 0 0 "[ . 1 . 2]" 1
424 1 34 LEU QD 1 51 PRO HD2 . . 5.020 4.132 3.829 4.653 . 0 0 "[ . 1 . 2]" 1
425 1 34 LEU QD 1 51 PRO HD3 . . 4.940 3.175 2.611 3.943 . 0 0 "[ . 1 . 2]" 1
426 1 34 LEU QD 1 51 PRO HG2 . . 4.330 4.401 4.331 4.472 0.142 15 0 "[ . 1 . 2]" 1
427 1 34 LEU QD 1 51 PRO HG3 . . 4.310 3.779 2.984 4.209 . 0 0 "[ . 1 . 2]" 1
428 1 34 LEU QD 1 52 GLN QG . . 4.530 4.435 3.986 4.623 0.093 8 0 "[ . 1 . 2]" 1
429 1 34 LEU MD1 1 36 CYS H . . 4.980 3.430 2.661 5.000 0.020 16 0 "[ . 1 . 2]" 1
430 1 34 LEU MD1 1 36 CYS HB2 . . 4.410 2.871 2.121 4.540 0.130 10 0 "[ . 1 . 2]" 1
431 1 34 LEU MD1 1 49 CYS HB3 . . 4.630 3.125 1.874 4.647 0.017 8 0 "[ . 1 . 2]" 1
432 1 34 LEU MD1 1 50 ASP H . . 5.240 3.632 2.839 4.617 . 0 0 "[ . 1 . 2]" 1
433 1 34 LEU MD2 1 36 CYS H . . 4.980 4.667 4.249 5.039 0.059 14 0 "[ . 1 . 2]" 1
434 1 34 LEU MD2 1 36 CYS HB2 . . 4.410 4.122 3.185 4.596 0.186 18 0 "[ . 1 . 2]" 1
435 1 34 LEU MD2 1 49 CYS HB3 . . 4.630 2.752 1.788 4.774 0.144 10 0 "[ . 1 . 2]" 1
436 1 34 LEU MD2 1 50 ASP H . . 5.240 3.388 2.621 5.258 0.018 10 0 "[ . 1 . 2]" 1
437 1 35 ARG H 1 35 ARG HB3 . . 3.850 3.634 2.484 3.829 . 0 0 "[ . 1 . 2]" 1
438 1 35 ARG H 1 35 ARG QD . . 5.320 4.205 3.894 4.516 . 0 0 "[ . 1 . 2]" 1
439 1 35 ARG H 1 35 ARG HG2 . . 4.370 4.120 3.951 4.318 . 0 0 "[ . 1 . 2]" 1
440 1 35 ARG H 1 35 ARG HG3 . . 4.040 3.148 2.775 4.269 0.229 7 0 "[ . 1 . 2]" 1
441 1 35 ARG H 1 36 CYS H . . 4.770 4.199 3.977 4.404 . 0 0 "[ . 1 . 2]" 1
442 1 35 ARG H 1 50 ASP H . . 4.400 3.027 2.688 3.286 . 0 0 "[ . 1 . 2]" 1
443 1 35 ARG H 1 50 ASP HA . . 5.500 4.666 4.446 4.813 . 0 0 "[ . 1 . 2]" 1
444 1 35 ARG H 1 50 ASP HB2 . . 5.080 5.016 4.530 5.219 0.139 20 0 "[ . 1 . 2]" 1
445 1 35 ARG H 1 50 ASP HB3 . . 5.040 3.577 3.027 3.839 . 0 0 "[ . 1 . 2]" 1
446 1 35 ARG H 1 51 PRO HD2 . . 5.280 5.418 5.372 5.468 0.188 12 0 "[ . 1 . 2]" 1
447 1 35 ARG H 1 52 GLN QG . . 5.010 3.667 2.805 4.257 . 0 0 "[ . 1 . 2]" 1
448 1 35 ARG HA 1 36 CYS H . . 3.480 2.143 2.057 2.241 . 0 0 "[ . 1 . 2]" 1
449 1 35 ARG HA 1 36 CYS HB2 . . 5.500 4.292 4.063 4.464 . 0 0 "[ . 1 . 2]" 1
450 1 35 ARG HA 1 50 ASP H . . 5.500 4.575 4.407 4.702 . 0 0 "[ . 1 . 2]" 1
451 1 35 ARG HB2 1 35 ARG HG3 . . 2.790 2.440 2.377 2.491 . 0 0 "[ . 1 . 2]" 1
452 1 35 ARG HB2 1 36 CYS H . . 5.030 4.220 3.911 4.483 . 0 0 "[ . 1 . 2]" 1
453 1 35 ARG HB2 1 50 ASP H . . 4.830 3.460 3.217 4.258 . 0 0 "[ . 1 . 2]" 1
454 1 35 ARG HB2 1 50 ASP HB2 . . 4.850 4.190 3.842 4.982 0.132 7 0 "[ . 1 . 2]" 1
455 1 35 ARG HB2 1 50 ASP HB3 . . 4.840 2.590 2.140 3.360 . 0 0 "[ . 1 . 2]" 1
456 1 35 ARG HB3 1 36 CYS H . . 5.150 3.381 2.899 4.074 . 0 0 "[ . 1 . 2]" 1
457 1 35 ARG HB3 1 37 VAL QG . . 5.440 3.649 3.168 4.725 . 0 0 "[ . 1 . 2]" 1
458 1 35 ARG HB3 1 50 ASP H . . 5.500 4.230 2.698 4.511 . 0 0 "[ . 1 . 2]" 1
459 1 35 ARG HB3 1 50 ASP HB2 . . 5.400 5.147 3.692 5.448 0.048 16 0 "[ . 1 . 2]" 1
460 1 35 ARG HB3 1 50 ASP HB3 . . 5.470 3.808 2.306 4.232 . 0 0 "[ . 1 . 2]" 1
461 1 35 ARG HB3 1 52 GLN QG . . 5.490 5.016 3.460 5.555 0.065 5 0 "[ . 1 . 2]" 1
462 1 35 ARG QD 1 36 CYS H . . 5.500 5.276 4.576 5.611 0.111 19 0 "[ . 1 . 2]" 1
463 1 35 ARG QD 1 37 VAL QG . . 4.990 4.509 3.558 5.072 0.082 1 0 "[ . 1 . 2]" 1
464 1 35 ARG QD 1 50 ASP HB2 . . 5.140 5.015 3.978 5.226 0.086 14 0 "[ . 1 . 2]" 1
465 1 35 ARG HG2 1 36 CYS H . . 4.900 4.296 3.229 4.762 . 0 0 "[ . 1 . 2]" 1
466 1 36 CYS CB 1 49 CYS SG . . 3.100 3.089 3.029 3.142 0.042 18 0 "[ . 1 . 2]" 1
467 1 36 CYS H 1 36 CYS HB2 . . 3.820 2.630 2.278 2.906 . 0 0 "[ . 1 . 2]" 1
468 1 36 CYS HA 1 37 VAL QG . . 5.000 3.324 3.158 3.512 . 0 0 "[ . 1 . 2]" 1
469 1 36 CYS HA 1 48 CYS H . . 4.970 4.406 4.052 4.871 . 0 0 "[ . 1 . 2]" 1
470 1 36 CYS HA 1 49 CYS H . . 5.160 4.388 4.134 4.622 . 0 0 "[ . 1 . 2]" 1
471 1 36 CYS HA 1 49 CYS HA . . 3.650 1.897 1.762 2.200 . 0 0 "[ . 1 . 2]" 1
472 1 36 CYS HA 1 49 CYS HB2 . . 5.340 4.121 2.616 4.745 . 0 0 "[ . 1 . 2]" 1
473 1 36 CYS HA 1 49 CYS HB3 . . 5.060 3.988 3.615 4.150 . 0 0 "[ . 1 . 2]" 1
474 1 36 CYS HA 1 50 ASP H . . 3.970 3.059 2.745 3.556 . 0 0 "[ . 1 . 2]" 1
475 1 36 CYS HB2 1 37 VAL H . . 4.320 4.285 4.143 4.368 0.048 19 0 "[ . 1 . 2]" 1
476 1 36 CYS HB2 1 49 CYS HA . . 5.190 3.909 3.114 4.845 . 0 0 "[ . 1 . 2]" 1
477 1 36 CYS HB3 1 37 VAL H . . 4.450 3.383 3.017 3.586 . 0 0 "[ . 1 . 2]" 1
478 1 36 CYS HB3 1 38 ILE MD . . 4.850 3.803 2.918 4.450 . 0 0 "[ . 1 . 2]" 1
479 1 36 CYS HB3 1 38 ILE HG13 . . 5.500 3.794 3.504 4.528 . 0 0 "[ . 1 . 2]" 1
480 1 36 CYS HB3 1 48 CYS H . . 5.220 4.989 4.535 5.233 0.013 13 0 "[ . 1 . 2]" 1
481 1 36 CYS HB3 1 49 CYS HA . . 4.520 4.141 3.888 4.387 . 0 0 "[ . 1 . 2]" 1
482 1 36 CYS SG 1 49 CYS CB . . 3.100 3.106 3.019 3.165 0.065 2 0 "[ . 1 . 2]" 1
483 1 36 CYS SG 1 49 CYS SG . . 2.100 2.032 2.018 2.041 . 0 0 "[ . 1 . 2]" 1
484 1 37 VAL H 1 37 VAL HB . . 3.950 2.740 2.666 2.847 . 0 0 "[ . 1 . 2]" 1
485 1 37 VAL H 1 37 VAL MG1 . . 4.170 3.882 3.842 3.930 . 0 0 "[ . 1 . 2]" 1
486 1 37 VAL H 1 37 VAL QG . . 3.620 2.579 2.451 2.708 . 0 0 "[ . 1 . 2]" 1
487 1 37 VAL H 1 37 VAL MG2 . . 4.170 2.618 2.480 2.759 . 0 0 "[ . 1 . 2]" 1
488 1 37 VAL H 1 38 ILE H . . 4.740 4.271 4.202 4.348 . 0 0 "[ . 1 . 2]" 1
489 1 37 VAL H 1 47 VAL HA . . 4.350 4.399 4.298 4.470 0.120 18 0 "[ . 1 . 2]" 1
490 1 37 VAL H 1 48 CYS H . . 4.160 2.718 2.523 3.001 . 0 0 "[ . 1 . 2]" 1
491 1 37 VAL H 1 48 CYS HA . . 5.270 4.519 4.348 4.710 . 0 0 "[ . 1 . 2]" 1
492 1 37 VAL H 1 48 CYS HB2 . . 4.880 4.584 4.358 4.926 0.046 8 0 "[ . 1 . 2]" 1
493 1 37 VAL H 1 48 CYS HB3 . . 4.940 3.194 2.906 3.589 . 0 0 "[ . 1 . 2]" 1
494 1 37 VAL H 1 49 CYS H . . 5.080 4.595 4.465 4.883 . 0 0 "[ . 1 . 2]" 1
495 1 37 VAL H 1 49 CYS HA . . 4.120 3.262 2.752 3.567 . 0 0 "[ . 1 . 2]" 1
496 1 37 VAL H 1 50 ASP H . . 5.250 4.816 4.352 5.208 . 0 0 "[ . 1 . 2]" 1
497 1 37 VAL HA 1 37 VAL MG1 . . 3.730 2.364 2.333 2.386 . 0 0 "[ . 1 . 2]" 1
498 1 37 VAL HA 1 37 VAL MG2 . . 3.730 2.490 2.448 2.525 . 0 0 "[ . 1 . 2]" 1
499 1 37 VAL HB 1 38 ILE H . . 4.580 4.026 3.947 4.107 . 0 0 "[ . 1 . 2]" 1
500 1 37 VAL HB 1 39 PHE QD . . 4.850 4.070 3.864 4.298 . 0 0 "[ . 1 . 2]" 1
501 1 37 VAL HB 1 39 PHE QE . . 4.330 3.120 2.683 3.503 . 0 0 "[ . 1 . 2]" 1
502 1 37 VAL HB 1 47 VAL HA . . 5.500 4.889 4.419 5.127 . 0 0 "[ . 1 . 2]" 1
503 1 37 VAL HB 1 48 CYS H . . 4.790 3.518 3.207 3.679 . 0 0 "[ . 1 . 2]" 1
504 1 37 VAL HB 1 48 CYS HB2 . . 5.190 3.908 3.674 4.014 . 0 0 "[ . 1 . 2]" 1
505 1 37 VAL HB 1 48 CYS HB3 . . 5.000 2.602 2.252 3.005 . 0 0 "[ . 1 . 2]" 1
506 1 37 VAL QG 1 38 ILE H . . 3.960 2.592 2.450 2.702 . 0 0 "[ . 1 . 2]" 1
507 1 37 VAL QG 1 39 PHE H . . 5.220 4.053 3.840 4.162 . 0 0 "[ . 1 . 2]" 1
508 1 37 VAL QG 1 39 PHE HA . . 4.960 4.273 4.132 4.468 . 0 0 "[ . 1 . 2]" 1
509 1 37 VAL QG 1 39 PHE QD . . 4.010 3.080 2.868 3.222 . 0 0 "[ . 1 . 2]" 1
510 1 37 VAL QG 1 46 LYS QD . . 5.440 4.747 4.216 5.456 0.016 18 0 "[ . 1 . 2]" 1
511 1 37 VAL QG 1 47 VAL HA . . 5.140 4.672 4.276 4.898 . 0 0 "[ . 1 . 2]" 1
512 1 37 VAL QG 1 48 CYS HB2 . . 4.300 4.331 4.178 4.389 0.089 2 0 "[ . 1 . 2]" 1
513 1 37 VAL QG 1 48 CYS HB3 . . 3.900 3.290 3.125 3.416 . 0 0 "[ . 1 . 2]" 1
514 1 37 VAL QG 1 49 CYS HA . . 5.440 4.239 3.572 4.595 . 0 0 "[ . 1 . 2]" 1
515 1 37 VAL QG 1 50 ASP H . . 5.440 4.715 3.988 5.273 . 0 0 "[ . 1 . 2]" 1
516 1 37 VAL MG1 1 39 PHE QE . . 4.250 2.583 2.337 2.788 . 0 0 "[ . 1 . 2]" 1
517 1 37 VAL MG1 1 48 CYS H . . 4.490 4.404 4.123 4.525 0.035 3 0 "[ . 1 . 2]" 1
518 1 37 VAL MG1 1 48 CYS HB2 . . 4.950 4.853 4.574 5.036 0.086 5 0 "[ . 1 . 2]" 1
519 1 37 VAL MG1 1 48 CYS HB3 . . 4.440 4.070 3.704 4.445 0.005 5 0 "[ . 1 . 2]" 1
520 1 37 VAL MG2 1 39 PHE QE . . 4.250 4.106 3.884 4.343 0.093 20 0 "[ . 1 . 2]" 1
521 1 37 VAL MG2 1 48 CYS H . . 4.490 4.486 4.277 4.542 0.052 17 0 "[ . 1 . 2]" 1
522 1 37 VAL MG2 1 48 CYS HB2 . . 4.950 4.877 4.748 4.980 0.030 8 0 "[ . 1 . 2]" 1
523 1 37 VAL MG2 1 48 CYS HB3 . . 4.440 3.482 3.322 3.618 . 0 0 "[ . 1 . 2]" 1
524 1 38 ILE H 1 38 ILE HB . . 3.840 2.604 2.524 2.732 . 0 0 "[ . 1 . 2]" 1
525 1 38 ILE H 1 38 ILE MD . . 3.990 3.426 2.103 3.876 . 0 0 "[ . 1 . 2]" 1
526 1 38 ILE H 1 38 ILE HG12 . . 4.760 3.904 3.749 4.344 . 0 0 "[ . 1 . 2]" 1
527 1 38 ILE H 1 38 ILE HG13 . . 4.510 2.703 2.450 3.475 . 0 0 "[ . 1 . 2]" 1
528 1 38 ILE H 1 38 ILE MG . . 4.600 3.842 3.800 3.904 . 0 0 "[ . 1 . 2]" 1
529 1 38 ILE HA 1 38 ILE MD . . 4.500 3.758 3.340 3.886 . 0 0 "[ . 1 . 2]" 1
530 1 38 ILE HA 1 45 LEU QB . . 5.500 4.963 4.405 5.542 0.042 2 0 "[ . 1 . 2]" 1
531 1 38 ILE HA 1 46 LYS H . . 5.170 4.527 4.288 4.797 . 0 0 "[ . 1 . 2]" 1
532 1 38 ILE HA 1 47 VAL HA . . 4.330 2.364 2.227 2.672 . 0 0 "[ . 1 . 2]" 1
533 1 38 ILE HA 1 47 VAL HB . . 5.210 3.794 3.084 4.626 . 0 0 "[ . 1 . 2]" 1
534 1 38 ILE HA 1 48 CYS H . . 5.440 3.537 3.244 3.794 . 0 0 "[ . 1 . 2]" 1
535 1 38 ILE MD 1 38 ILE MG . . 2.970 2.158 1.874 3.089 0.119 16 0 "[ . 1 . 2]" 1
536 1 38 ILE MD 1 47 VAL HA . . 5.140 4.840 4.361 5.236 0.096 9 0 "[ . 1 . 2]" 1
537 1 38 ILE MD 1 47 VAL HB . . 5.500 4.522 3.863 5.282 . 0 0 "[ . 1 . 2]" 1
538 1 38 ILE HG12 1 38 ILE MG . . 3.320 2.303 2.119 2.383 . 0 0 "[ . 1 . 2]" 1
539 1 38 ILE HG12 1 39 PHE H . . 5.350 4.748 4.500 5.325 . 0 0 "[ . 1 . 2]" 1
540 1 38 ILE HG12 1 47 VAL HA . . 5.130 3.682 2.941 4.529 . 0 0 "[ . 1 . 2]" 1
541 1 38 ILE HG12 1 47 VAL HB . . 5.290 3.456 2.655 4.273 . 0 0 "[ . 1 . 2]" 1
542 1 38 ILE HG12 1 48 CYS H . . 5.420 4.636 3.881 5.526 0.106 18 0 "[ . 1 . 2]" 1
543 1 38 ILE HG13 1 38 ILE MG . . 3.570 3.096 2.608 3.215 . 0 0 "[ . 1 . 2]" 1
544 1 38 ILE HG13 1 39 PHE H . . 5.200 4.912 4.312 5.085 . 0 0 "[ . 1 . 2]" 1
545 1 38 ILE HG13 1 47 VAL HA . . 5.070 4.110 2.981 4.691 . 0 0 "[ . 1 . 2]" 1
546 1 38 ILE HG13 1 47 VAL HB . . 5.330 4.522 3.195 5.309 . 0 0 "[ . 1 . 2]" 1
547 1 38 ILE HG13 1 48 CYS H . . 5.140 4.487 3.723 4.963 . 0 0 "[ . 1 . 2]" 1
548 1 38 ILE MG 1 40 ILE H . . 5.330 3.737 3.502 3.954 . 0 0 "[ . 1 . 2]" 1
549 1 38 ILE MG 1 40 ILE HG12 . . 3.950 2.511 2.088 2.846 . 0 0 "[ . 1 . 2]" 1
550 1 38 ILE MG 2 29 ILE MD . . 3.150 2.752 2.271 3.134 . 0 0 "[ . 1 . 2]" 1
551 1 39 PHE H 1 39 PHE QD . . 4.260 2.391 2.198 2.513 . 0 0 "[ . 1 . 2]" 1
552 1 39 PHE H 1 45 LEU HA . . 5.160 4.779 4.511 5.085 . 0 0 "[ . 1 . 2]" 1
553 1 39 PHE H 1 45 LEU QD . . 5.440 4.839 4.449 5.352 . 0 0 "[ . 1 . 2]" 1
554 1 39 PHE H 1 46 LYS H . . 4.210 3.013 2.733 3.308 . 0 0 "[ . 1 . 2]" 1
555 1 39 PHE H 1 46 LYS QB . . 4.740 3.081 2.559 3.574 . 0 0 "[ . 1 . 2]" 1
556 1 39 PHE H 1 47 VAL HA . . 4.870 3.373 3.098 3.644 . 0 0 "[ . 1 . 2]" 1
557 1 39 PHE H 1 47 VAL QG . . 4.900 4.289 3.634 4.805 . 0 0 "[ . 1 . 2]" 1
558 1 39 PHE HA 1 39 PHE QD . . 4.310 3.138 3.036 3.239 . 0 0 "[ . 1 . 2]" 1
559 1 39 PHE HA 1 40 ILE HB . . 5.080 4.999 4.855 5.120 0.040 7 0 "[ . 1 . 2]" 1
560 1 39 PHE HA 1 46 LYS H . . 5.270 4.627 4.419 4.847 . 0 0 "[ . 1 . 2]" 1
561 1 39 PHE HA 1 46 LYS QE . . 5.500 5.552 5.359 5.734 0.234 4 0 "[ . 1 . 2]" 1
562 1 39 PHE HB2 1 40 ILE H . . 5.500 4.351 4.217 4.447 . 0 0 "[ . 1 . 2]" 1
563 1 39 PHE HB2 1 41 THR MG . . 4.820 3.453 3.101 4.011 . 0 0 "[ . 1 . 2]" 1
564 1 39 PHE HB2 1 46 LYS H . . 4.570 2.734 2.419 3.066 . 0 0 "[ . 1 . 2]" 1
565 1 39 PHE HB2 1 46 LYS QB . . 4.260 1.805 1.766 1.886 . 0 0 "[ . 1 . 2]" 1
566 1 39 PHE HB2 1 46 LYS QD . . 4.960 3.099 2.064 3.746 . 0 0 "[ . 1 . 2]" 1
567 1 39 PHE HB2 1 46 LYS QG . . 4.960 3.496 2.634 4.119 . 0 0 "[ . 1 . 2]" 1
568 1 39 PHE HB2 1 47 VAL HA . . 5.500 5.093 4.491 5.524 0.024 1 0 "[ . 1 . 2]" 1
569 1 39 PHE HB3 1 40 ILE H . . 5.290 3.611 3.412 3.767 . 0 0 "[ . 1 . 2]" 1
570 1 39 PHE HB3 1 41 THR MG . . 4.300 2.617 2.322 2.859 . 0 0 "[ . 1 . 2]" 1
571 1 39 PHE HB3 1 46 LYS H . . 4.840 3.871 3.630 4.204 . 0 0 "[ . 1 . 2]" 1
572 1 39 PHE HB3 1 46 LYS QB . . 4.620 3.111 2.623 3.331 . 0 0 "[ . 1 . 2]" 1
573 1 39 PHE HB3 1 46 LYS QG . . 5.320 4.885 4.134 5.382 0.062 13 0 "[ . 1 . 2]" 1
574 1 39 PHE QD 1 41 THR MG . . 4.660 3.654 3.351 4.011 . 0 0 "[ . 1 . 2]" 1
575 1 39 PHE QD 1 46 LYS H . . 5.120 4.403 3.990 4.736 . 0 0 "[ . 1 . 2]" 1
576 1 39 PHE QD 1 46 LYS QB . . 4.200 2.875 2.183 3.590 . 0 0 "[ . 1 . 2]" 1
577 1 39 PHE QD 1 46 LYS QD . . 4.720 2.679 2.109 3.117 . 0 0 "[ . 1 . 2]" 1
578 1 39 PHE QD 1 46 LYS QE . . 4.720 2.962 2.271 3.382 . 0 0 "[ . 1 . 2]" 1
579 1 39 PHE QD 1 46 LYS QG . . 4.350 3.097 2.299 4.314 . 0 0 "[ . 1 . 2]" 1
580 1 39 PHE QD 1 47 VAL H . . 5.180 5.211 5.060 5.324 0.144 3 0 "[ . 1 . 2]" 1
581 1 39 PHE QD 1 47 VAL HA . . 5.500 3.984 3.637 4.359 . 0 0 "[ . 1 . 2]" 1
582 1 39 PHE QE 1 46 LYS QB . . 5.080 4.577 3.910 5.187 0.107 4 0 "[ . 1 . 2]" 1
583 1 39 PHE QE 1 46 LYS QD . . 4.940 3.253 2.614 4.066 . 0 0 "[ . 1 . 2]" 1
584 1 39 PHE QE 1 46 LYS QE . . 5.180 3.242 2.325 4.039 . 0 0 "[ . 1 . 2]" 1
585 1 39 PHE QE 1 48 CYS HB2 . . 5.500 3.959 3.259 5.008 . 0 0 "[ . 1 . 2]" 1
586 1 39 PHE QE 1 48 CYS HB3 . . 5.410 3.882 2.956 5.034 . 0 0 "[ . 1 . 2]" 1
587 1 40 ILE H 1 40 ILE HB . . 3.790 2.791 2.612 2.882 . 0 0 "[ . 1 . 2]" 1
588 1 40 ILE H 1 40 ILE MD . . 4.520 3.815 3.666 3.889 . 0 0 "[ . 1 . 2]" 1
589 1 40 ILE H 1 40 ILE HG12 . . 4.270 3.042 2.889 3.217 . 0 0 "[ . 1 . 2]" 1
590 1 40 ILE H 1 40 ILE HG13 . . 4.520 2.161 1.957 2.285 . 0 0 "[ . 1 . 2]" 1
591 1 40 ILE H 1 40 ILE MG . . 4.760 3.849 3.808 3.887 . 0 0 "[ . 1 . 2]" 1
592 1 40 ILE H 1 41 THR H . . 5.350 4.377 4.316 4.428 . 0 0 "[ . 1 . 2]" 1
593 1 40 ILE H 1 45 LEU HA . . 5.320 5.158 4.813 5.385 0.065 10 0 "[ . 1 . 2]" 1
594 1 40 ILE H 1 45 LEU QD . . 4.960 4.626 4.132 5.003 0.043 7 0 "[ . 1 . 2]" 1
595 1 40 ILE HA 1 40 ILE MD . . 4.230 3.863 3.804 3.952 . 0 0 "[ . 1 . 2]" 1
596 1 40 ILE HA 1 45 LEU QB . . 5.500 3.760 3.289 4.276 . 0 0 "[ . 1 . 2]" 1
597 1 40 ILE HB 1 40 ILE MD . . 3.560 2.521 2.456 2.608 . 0 0 "[ . 1 . 2]" 1
598 1 40 ILE MD 1 40 ILE MG . . 2.510 1.941 1.880 1.999 . 0 0 "[ . 1 . 2]" 1
599 1 40 ILE MD 2 29 ILE HG12 . . 3.350 3.400 3.033 3.543 0.193 20 0 "[ . 1 . 2]" 1
600 1 40 ILE MD 2 29 ILE HG13 . . 4.000 4.134 4.035 4.188 0.188 4 0 "[ . 1 . 2]" 1
601 1 40 ILE MD 2 29 ILE MG . . 3.340 1.875 1.757 2.042 . 0 0 "[ . 1 . 2]" 1
602 1 40 ILE MD 2 31 GLU HG2 . . 4.390 3.020 2.579 3.775 . 0 0 "[ . 1 . 2]" 1
603 1 40 ILE MD 2 31 GLU QG . . 3.720 2.638 2.118 3.155 . 0 0 "[ . 1 . 2]" 1
604 1 40 ILE MD 2 31 GLU HG3 . . 4.390 3.057 2.190 4.010 . 0 0 "[ . 1 . 2]" 1
605 1 40 ILE HG12 1 40 ILE MG . . 3.700 2.583 2.541 2.631 . 0 0 "[ . 1 . 2]" 1
606 1 40 ILE HG12 1 45 LEU HA . . 5.240 5.014 4.430 5.291 0.051 8 0 "[ . 1 . 2]" 1
607 1 40 ILE HG12 1 45 LEU QD . . 3.470 2.852 2.104 3.295 . 0 0 "[ . 1 . 2]" 1
608 1 40 ILE HG12 2 29 ILE MD . . 5.160 3.038 2.708 3.324 . 0 0 "[ . 1 . 2]" 1
609 1 40 ILE HG13 1 40 ILE MG . . 3.120 3.137 3.120 3.150 0.030 13 0 "[ . 1 . 2]" 1
610 1 40 ILE HG13 2 31 GLU QG . . 5.340 4.848 4.387 5.396 0.056 5 0 "[ . 1 . 2]" 1
611 1 40 ILE MG 1 41 THR H . . 3.940 2.924 2.829 3.019 . 0 0 "[ . 1 . 2]" 1
612 1 40 ILE MG 1 45 LEU HA . . 5.090 4.195 3.758 4.544 . 0 0 "[ . 1 . 2]" 1
613 1 40 ILE MG 2 31 GLU QG . . 4.130 3.433 2.208 4.149 0.019 13 0 "[ . 1 . 2]" 1
614 1 41 THR H 1 41 THR HB . . 3.750 3.781 3.756 3.818 0.068 16 0 "[ . 1 . 2]" 1
615 1 41 THR H 1 41 THR MG . . 3.620 2.646 2.434 2.792 . 0 0 "[ . 1 . 2]" 1
616 1 41 THR H 1 43 ARG H . . 4.650 4.208 3.774 4.453 . 0 0 "[ . 1 . 2]" 1
617 1 41 THR H 1 44 GLY H . . 3.820 3.431 3.311 3.775 . 0 0 "[ . 1 . 2]" 1
618 1 41 THR H 1 45 LEU H . . 5.110 4.862 4.679 5.125 0.015 2 0 "[ . 1 . 2]" 1
619 1 41 THR H 1 45 LEU HA . . 4.350 2.919 2.618 3.316 . 0 0 "[ . 1 . 2]" 1
620 1 41 THR H 1 45 LEU QB . . 5.500 4.595 4.283 4.899 . 0 0 "[ . 1 . 2]" 1
621 1 41 THR H 1 45 LEU QD . . 4.030 3.278 2.390 3.807 . 0 0 "[ . 1 . 2]" 1
622 1 41 THR H 1 46 LYS H . . 5.140 4.406 4.044 4.663 . 0 0 "[ . 1 . 2]" 1
623 1 41 THR HA 1 41 THR MG . . 3.550 2.480 2.409 2.524 . 0 0 "[ . 1 . 2]" 1
624 1 41 THR HA 1 43 ARG H . . 4.830 4.199 3.915 4.603 . 0 0 "[ . 1 . 2]" 1
625 1 41 THR MG 1 42 LYS H . . 4.100 3.735 3.599 3.839 . 0 0 "[ . 1 . 2]" 1
626 1 41 THR MG 1 43 ARG H . . 4.600 4.287 4.065 4.907 0.307 2 0 "[ . 1 . 2]" 1
627 1 41 THR MG 1 44 GLY H . . 4.560 4.402 3.732 4.710 0.150 5 0 "[ . 1 . 2]" 1
628 1 41 THR MG 1 45 LEU HA . . 5.400 3.582 2.908 4.027 . 0 0 "[ . 1 . 2]" 1
629 1 41 THR MG 1 46 LYS H . . 4.920 3.834 3.409 4.235 . 0 0 "[ . 1 . 2]" 1
630 1 42 LYS H 1 42 LYS QB . . 3.740 2.834 2.603 2.971 . 0 0 "[ . 1 . 2]" 1
631 1 42 LYS H 1 42 LYS QD . . 5.090 2.590 1.771 2.981 . 0 0 "[ . 1 . 2]" 1
632 1 42 LYS H 1 42 LYS HG2 . . 5.090 3.573 3.465 3.726 . 0 0 "[ . 1 . 2]" 1
633 1 42 LYS H 1 42 LYS HG3 . . 4.380 2.191 1.877 3.946 . 0 0 "[ . 1 . 2]" 1
634 1 42 LYS H 1 43 ARG H . . 4.350 2.891 2.661 3.698 . 0 0 "[ . 1 . 2]" 1
635 1 42 LYS H 1 44 GLY H . . 5.030 4.357 4.084 5.045 0.015 19 0 "[ . 1 . 2]" 1
636 1 42 LYS HA 1 42 LYS QD . . 4.150 3.636 3.517 3.715 . 0 0 "[ . 1 . 2]" 1
637 1 42 LYS HA 1 42 LYS QE . . 5.330 5.131 4.077 5.452 0.122 10 0 "[ . 1 . 2]" 1
638 1 42 LYS HA 1 44 GLY H . . 4.640 4.093 3.542 4.668 0.028 20 0 "[ . 1 . 2]" 1
639 1 42 LYS QB 1 42 LYS QD . . 2.910 2.406 2.308 2.747 . 0 0 "[ . 1 . 2]" 1
640 1 42 LYS QB 1 42 LYS QE . . 3.680 3.489 2.123 3.673 . 0 0 "[ . 1 . 2]" 1
641 1 42 LYS QD 1 44 GLY H . . 4.770 4.637 4.230 4.807 0.037 14 0 "[ . 1 . 2]" 1
642 1 42 LYS QE 1 42 LYS HG2 . . 3.370 2.396 2.308 2.905 . 0 0 "[ . 1 . 2]" 1
643 1 43 ARG H 1 43 ARG HB2 . . 3.640 2.887 2.527 3.693 0.053 2 0 "[ . 1 . 2]" 1
644 1 43 ARG H 1 43 ARG QD . . 5.250 4.692 4.189 5.242 . 0 0 "[ . 1 . 2]" 1
645 1 43 ARG H 1 43 ARG HG2 . . 4.800 4.252 3.987 4.695 . 0 0 "[ . 1 . 2]" 1
646 1 43 ARG H 1 43 ARG HG3 . . 4.800 3.605 3.026 4.797 . 0 0 "[ . 1 . 2]" 1
647 1 43 ARG H 1 44 GLY H . . 3.560 2.144 1.831 3.033 . 0 0 "[ . 1 . 2]" 1
648 1 43 ARG HA 1 43 ARG QD . . 3.990 4.015 3.929 4.120 0.130 20 0 "[ . 1 . 2]" 1
649 1 43 ARG HA 1 43 ARG HG2 . . 3.920 2.542 2.321 3.029 . 0 0 "[ . 1 . 2]" 1
650 1 43 ARG HA 1 43 ARG QG . . 3.400 2.369 2.253 2.487 . 0 0 "[ . 1 . 2]" 1
651 1 43 ARG HA 1 43 ARG HG3 . . 3.920 3.017 2.423 3.338 . 0 0 "[ . 1 . 2]" 1
652 1 43 ARG HB2 1 43 ARG QD . . 3.000 2.437 2.337 2.840 . 0 0 "[ . 1 . 2]" 1
653 1 43 ARG HB2 1 44 GLY H . . 5.420 3.944 3.370 4.562 . 0 0 "[ . 1 . 2]" 1
654 1 43 ARG HB3 1 43 ARG QD . . 3.660 2.458 2.294 2.839 . 0 0 "[ . 1 . 2]" 1
655 1 43 ARG HB3 1 44 GLY H . . 5.340 4.182 2.812 4.404 . 0 0 "[ . 1 . 2]" 1
656 1 44 GLY H 1 45 LEU H . . 4.840 4.338 4.243 4.422 . 0 0 "[ . 1 . 2]" 1
657 1 45 LEU H 1 45 LEU QB . . 3.470 2.673 2.503 2.883 . 0 0 "[ . 1 . 2]" 1
658 1 45 LEU H 1 45 LEU QD . . 4.000 2.853 2.513 3.560 . 0 0 "[ . 1 . 2]" 1
659 1 45 LEU H 1 45 LEU HG . . 4.900 3.911 2.961 4.484 . 0 0 "[ . 1 . 2]" 1
660 1 45 LEU H 1 46 LYS H . . 5.260 4.299 4.106 4.449 . 0 0 "[ . 1 . 2]" 1
661 1 45 LEU H 2 12 VAL MG2 . . 4.350 4.258 3.961 4.470 0.120 14 0 "[ . 1 . 2]" 1
662 1 45 LEU HA 1 45 LEU QD . . 3.910 2.724 2.038 3.065 . 0 0 "[ . 1 . 2]" 1
663 1 45 LEU HA 1 45 LEU HG . . 4.230 2.656 2.402 3.695 . 0 0 "[ . 1 . 2]" 1
664 1 45 LEU HA 1 46 LYS H . . 3.350 2.103 2.002 2.238 . 0 0 "[ . 1 . 2]" 1
665 1 45 LEU QB 1 46 LYS H . . 4.370 2.764 2.504 3.046 . 0 0 "[ . 1 . 2]" 1
666 1 45 LEU QD 1 46 LYS H . . 4.060 3.828 3.244 4.101 0.041 20 0 "[ . 1 . 2]" 1
667 1 45 LEU QD 2 49 CYS HB2 . . 4.060 3.017 2.274 3.892 . 0 0 "[ . 1 . 2]" 1
668 1 45 LEU QD 2 49 CYS HB3 . . 4.060 3.665 2.846 4.119 0.059 12 0 "[ . 1 . 2]" 1
669 1 45 LEU HG 1 46 LYS H . . 4.660 4.225 3.809 4.790 0.130 17 0 "[ . 1 . 2]" 1
670 1 46 LYS H 1 46 LYS QD . . 5.130 4.655 3.741 5.086 . 0 0 "[ . 1 . 2]" 1
671 1 46 LYS H 1 46 LYS QG . . 4.550 4.002 3.773 4.195 . 0 0 "[ . 1 . 2]" 1
672 1 46 LYS HA 1 46 LYS QD . . 4.540 4.108 3.376 4.215 . 0 0 "[ . 1 . 2]" 1
673 1 46 LYS HA 1 46 LYS QG . . 4.010 2.559 2.388 2.756 . 0 0 "[ . 1 . 2]" 1
674 1 46 LYS QB 1 46 LYS QD . . 3.470 2.237 2.033 2.451 . 0 0 "[ . 1 . 2]" 1
675 1 46 LYS QB 1 46 LYS QE . . 3.900 2.751 1.963 3.756 . 0 0 "[ . 1 . 2]" 1
676 1 46 LYS QB 1 47 VAL H . . 4.760 3.742 3.668 3.855 . 0 0 "[ . 1 . 2]" 1
677 1 46 LYS QG 1 47 VAL H . . 4.260 2.904 2.670 3.233 . 0 0 "[ . 1 . 2]" 1
678 1 47 VAL H 1 47 VAL HB . . 3.910 3.344 3.017 3.826 . 0 0 "[ . 1 . 2]" 1
679 1 47 VAL H 1 47 VAL QG . . 3.400 2.153 2.014 2.339 . 0 0 "[ . 1 . 2]" 1
680 1 47 VAL QG 1 48 CYS HA . . 4.910 3.522 3.270 4.019 . 0 0 "[ . 1 . 2]" 1
681 1 47 VAL QG 2 14 LEU H . . 4.880 4.472 3.695 4.986 0.106 4 0 "[ . 1 . 2]" 1
682 1 49 CYS H 1 49 CYS HB2 . . 4.030 2.682 2.366 3.263 . 0 0 "[ . 1 . 2]" 1
683 1 49 CYS H 1 49 CYS HB3 . . 4.000 3.448 2.821 3.789 . 0 0 "[ . 1 . 2]" 1
684 1 49 CYS H 1 50 ASP H . . 5.040 4.400 4.212 4.506 . 0 0 "[ . 1 . 2]" 1
685 1 49 CYS HB2 2 45 LEU QD . . 4.060 2.970 2.149 3.633 . 0 0 "[ . 1 . 2]" 1
686 1 49 CYS HB3 2 45 LEU QD . . 4.060 3.555 2.908 4.079 0.019 14 0 "[ . 1 . 2]" 1
687 1 50 ASP H 1 50 ASP HB2 . . 3.770 3.069 2.911 3.194 . 0 0 "[ . 1 . 2]" 1
688 1 50 ASP H 1 50 ASP HB3 . . 3.720 2.643 2.437 2.811 . 0 0 "[ . 1 . 2]" 1
689 1 50 ASP H 1 51 PRO HD2 . . 5.500 4.657 4.113 5.148 . 0 0 "[ . 1 . 2]" 1
690 1 50 ASP H 1 51 PRO HD3 . . 5.500 4.111 3.593 4.378 . 0 0 "[ . 1 . 2]" 1
691 1 50 ASP HA 1 51 PRO HD2 . . 3.580 2.128 1.915 2.798 . 0 0 "[ . 1 . 2]" 1
692 1 50 ASP HA 1 51 PRO HD3 . . 3.590 2.303 1.853 2.810 . 0 0 "[ . 1 . 2]" 1
693 1 50 ASP HA 1 51 PRO HG2 . . 4.760 4.274 4.118 4.483 . 0 0 "[ . 1 . 2]" 1
694 1 50 ASP HA 1 52 GLN H . . 4.540 3.667 3.071 4.037 . 0 0 "[ . 1 . 2]" 1
695 1 50 ASP HB2 1 51 PRO HD2 . . 4.950 4.284 4.019 4.755 . 0 0 "[ . 1 . 2]" 1
696 1 50 ASP HB2 1 51 PRO HD3 . . 5.270 4.781 4.329 5.074 . 0 0 "[ . 1 . 2]" 1
697 1 50 ASP HB3 1 51 PRO HD2 . . 4.660 4.435 4.142 4.676 0.016 13 0 "[ . 1 . 2]" 1
698 1 50 ASP HB3 1 51 PRO HD3 . . 5.040 4.892 4.459 5.057 0.017 1 0 "[ . 1 . 2]" 1
699 1 51 PRO QB 1 53 ALA MB . . 4.850 3.662 2.550 4.437 . 0 0 "[ . 1 . 2]" 1
700 1 51 PRO HB2 1 53 ALA MB . . 5.500 3.807 2.598 4.697 . 0 0 "[ . 1 . 2]" 1
701 1 51 PRO HB3 1 53 ALA MB . . 5.500 4.890 3.698 5.510 0.010 17 0 "[ . 1 . 2]" 1
702 1 51 PRO HD2 1 53 ALA MB . . 5.500 3.573 2.296 5.310 . 0 0 "[ . 1 . 2]" 1
703 1 51 PRO HG2 1 53 ALA MB . . 4.650 2.905 2.209 4.135 . 0 0 "[ . 1 . 2]" 1
704 1 51 PRO HG3 1 53 ALA MB . . 5.020 4.094 3.474 5.069 0.049 3 0 "[ . 1 . 2]" 1
705 1 52 GLN H 1 52 GLN QB . . 3.550 3.338 2.948 3.444 . 0 0 "[ . 1 . 2]" 1
706 1 52 GLN H 1 52 GLN QG . . 3.860 2.861 2.712 3.401 . 0 0 "[ . 1 . 2]" 1
707 1 52 GLN HA 1 52 GLN QG . . 3.770 2.459 2.302 3.382 . 0 0 "[ . 1 . 2]" 1
708 1 52 GLN HA 1 55 TRP HD1 . . 4.410 3.310 1.981 4.466 0.056 14 0 "[ . 1 . 2]" 1
709 1 53 ALA MB 1 54 THR H . . 5.320 2.559 1.873 3.591 . 0 0 "[ . 1 . 2]" 1
710 1 53 ALA MB 1 55 TRP H . . 5.220 4.296 3.181 5.223 0.003 2 0 "[ . 1 . 2]" 1
711 1 53 ALA MB 1 55 TRP HD1 . . 4.900 4.202 1.840 4.986 0.086 20 0 "[ . 1 . 2]" 1
712 1 54 THR HA 1 54 THR MG . . 3.530 2.382 2.268 3.228 . 0 0 "[ . 1 . 2]" 1
713 1 54 THR HA 1 56 VAL H . . 4.940 4.151 3.009 5.013 0.073 15 0 "[ . 1 . 2]" 1
714 1 55 TRP H 1 55 TRP QB . . 3.680 2.787 2.347 3.407 . 0 0 "[ . 1 . 2]" 1
715 1 55 TRP H 1 55 TRP HD1 . . 4.460 3.002 2.139 4.104 . 0 0 "[ . 1 . 2]" 1
716 1 55 TRP HA 1 55 TRP HD1 . . 4.420 3.954 2.443 4.451 0.031 2 0 "[ . 1 . 2]" 1
717 1 55 TRP QB 1 55 TRP HD1 . . 3.460 2.704 2.514 3.052 . 0 0 "[ . 1 . 2]" 1
718 1 55 TRP QB 1 56 VAL H . . 5.310 3.525 2.308 3.886 . 0 0 "[ . 1 . 2]" 1
719 1 56 VAL H 1 56 VAL HB . . 3.710 3.376 2.592 3.756 0.046 19 0 "[ . 1 . 2]" 1
720 1 56 VAL H 1 56 VAL QG . . 3.650 2.143 1.873 2.803 . 0 0 "[ . 1 . 2]" 1
721 1 56 VAL H 1 57 ARG H . . 4.780 3.748 1.914 4.643 . 0 0 "[ . 1 . 2]" 1
722 1 57 ARG H 1 57 ARG QG . . 4.690 3.400 2.106 4.512 . 0 0 "[ . 1 . 2]" 1
723 1 57 ARG HA 1 57 ARG QD . . 4.760 3.788 1.966 4.474 . 0 0 "[ . 1 . 2]" 1
724 1 57 ARG QB 1 57 ARG QD . . 3.120 2.269 2.084 2.398 . 0 0 "[ . 1 . 2]" 1
725 1 58 ASP HA 1 60 VAL H . . 4.030 3.715 3.207 4.109 0.079 19 0 "[ . 1 . 2]" 1
726 1 58 ASP QB 1 59 VAL H . . 5.060 3.398 2.090 3.998 . 0 0 "[ . 1 . 2]" 1
727 1 59 VAL H 1 59 VAL HB . . 3.810 3.302 2.607 3.782 . 0 0 "[ . 1 . 2]" 1
728 1 59 VAL H 1 59 VAL QG . . 3.720 2.274 1.902 2.883 . 0 0 "[ . 1 . 2]" 1
729 1 60 VAL H 1 60 VAL HB . . 3.970 3.250 2.527 3.848 . 0 0 "[ . 1 . 2]" 1
730 1 60 VAL H 1 60 VAL QG . . 3.520 2.353 1.896 2.847 . 0 0 "[ . 1 . 2]" 1
731 1 61 ARG QB 1 62 SER HA . . 5.120 4.410 3.768 4.776 . 0 0 "[ . 1 . 2]" 1
732 1 65 ARG HA 1 65 ARG QD . . 4.620 3.720 1.908 4.256 . 0 0 "[ . 1 . 2]" 1
733 2 5 VAL H 2 5 VAL QG . . 3.940 2.133 1.869 2.757 . 0 0 "[ . 1 . 2]" 1
734 2 5 VAL HA 2 5 VAL QG . . 2.630 2.275 2.138 2.370 . 0 0 "[ . 1 . 2]" 1
735 2 8 LYS HA 2 8 LYS QE . . 5.280 4.263 2.983 5.019 . 0 0 "[ . 1 . 2]" 1
736 2 8 LYS QB 2 8 LYS QE . . 3.400 2.356 1.910 3.514 0.114 17 0 "[ . 1 . 2]" 1
737 2 8 LYS HB2 2 8 LYS QE . . 4.040 2.969 1.952 4.068 0.028 6 0 "[ . 1 . 2]" 1
738 2 8 LYS HB3 2 8 LYS QE . . 4.040 2.750 1.932 4.059 0.019 17 0 "[ . 1 . 2]" 1
739 2 9 ARG HA 2 9 ARG QD . . 3.800 3.294 2.048 3.947 0.147 14 0 "[ . 1 . 2]" 1
740 2 9 ARG QB 2 9 ARG QD . . 3.150 2.456 2.013 2.930 . 0 0 "[ . 1 . 2]" 1
741 2 11 CYS CB 2 48 CYS SG . . 3.100 3.088 3.051 3.131 0.031 12 0 "[ . 1 . 2]" 1
742 2 11 CYS HA 2 12 VAL H . . 3.540 2.282 2.171 2.393 . 0 0 "[ . 1 . 2]" 1
743 2 11 CYS HA 2 48 CYS HA . . 3.710 2.136 1.775 2.682 . 0 0 "[ . 1 . 2]" 1
744 2 11 CYS HA 2 48 CYS HB2 . . 5.080 3.265 2.875 3.579 . 0 0 "[ . 1 . 2]" 1
745 2 11 CYS HA 2 48 CYS HB3 . . 5.390 4.347 4.080 4.681 . 0 0 "[ . 1 . 2]" 1
746 2 11 CYS HA 2 49 CYS H . . 4.300 3.579 2.828 4.161 . 0 0 "[ . 1 . 2]" 1
747 2 11 CYS HB2 2 46 LYS QE . . 5.040 4.326 2.728 5.171 0.131 9 0 "[ . 1 . 2]" 1
748 2 11 CYS HB3 2 46 LYS QD . . 4.410 3.627 2.660 4.589 0.179 4 0 "[ . 1 . 2]" 1
749 2 11 CYS HB3 2 46 LYS QG . . 4.850 3.031 2.579 3.328 . 0 0 "[ . 1 . 2]" 1
750 2 11 CYS HB3 2 47 VAL QG . . 4.710 4.800 4.742 4.840 0.130 18 0 "[ . 1 . 2]" 1
751 2 11 CYS HB3 2 48 CYS HA . . 4.830 3.104 2.660 3.421 . 0 0 "[ . 1 . 2]" 1
752 2 11 CYS HB3 2 48 CYS HB2 . . 4.130 2.116 1.879 2.350 . 0 0 "[ . 1 . 2]" 1
753 2 11 CYS SG 2 48 CYS CB . . 3.100 3.024 2.987 3.060 . 0 0 "[ . 1 . 2]" 1
754 2 11 CYS SG 2 48 CYS SG . . 2.100 2.027 2.021 2.034 . 0 0 "[ . 1 . 2]" 1
755 2 12 VAL H 2 12 VAL MG2 . . 3.750 2.224 2.026 2.414 . 0 0 "[ . 1 . 2]" 1
756 2 12 VAL H 2 46 LYS QG . . 4.920 3.905 3.454 4.283 . 0 0 "[ . 1 . 2]" 1
757 2 12 VAL H 2 48 CYS HA . . 4.420 3.017 2.829 3.264 . 0 0 "[ . 1 . 2]" 1
758 2 12 VAL HA 2 46 LYS QG . . 5.330 4.736 4.230 5.212 . 0 0 "[ . 1 . 2]" 1
759 2 12 VAL MG2 2 49 CYS H . . 4.680 4.459 3.825 4.797 0.117 8 0 "[ . 1 . 2]" 1
760 2 13 SER HA 2 14 LEU H . . 3.570 2.141 2.048 2.255 . 0 0 "[ . 1 . 2]" 1
761 2 13 SER HA 2 46 LYS HA . . 3.750 2.047 1.927 2.254 . 0 0 "[ . 1 . 2]" 1
762 2 13 SER HA 2 46 LYS QB . . 4.780 3.614 3.112 3.990 . 0 0 "[ . 1 . 2]" 1
763 2 13 SER HA 2 46 LYS QD . . 5.180 5.146 4.876 5.295 0.115 6 0 "[ . 1 . 2]" 1
764 2 13 SER HA 2 46 LYS QG . . 4.610 3.406 2.795 3.840 . 0 0 "[ . 1 . 2]" 1
765 2 13 SER HA 2 47 VAL H . . 4.270 2.975 2.703 3.294 . 0 0 "[ . 1 . 2]" 1
766 2 13 SER HA 2 47 VAL QG . . 4.940 3.779 3.405 4.206 . 0 0 "[ . 1 . 2]" 1
767 2 13 SER QB 2 14 LEU H . . 4.650 3.182 2.809 3.662 . 0 0 "[ . 1 . 2]" 1
768 2 13 SER QB 2 46 LYS HA . . 4.730 2.730 2.153 3.249 . 0 0 "[ . 1 . 2]" 1
769 2 13 SER QB 2 46 LYS QB . . 4.920 2.637 1.977 3.281 . 0 0 "[ . 1 . 2]" 1
770 2 13 SER QB 2 46 LYS QD . . 3.910 3.566 3.042 3.927 0.017 14 0 "[ . 1 . 2]" 1
771 2 13 SER QB 2 46 LYS QE . . 4.850 3.985 2.972 4.948 0.098 15 0 "[ . 1 . 2]" 1
772 2 13 SER QB 2 46 LYS QG . . 4.660 2.232 1.799 3.531 . 0 0 "[ . 1 . 2]" 1
773 2 13 SER QB 2 47 VAL H . . 5.480 3.932 3.320 4.580 . 0 0 "[ . 1 . 2]" 1
774 2 14 LEU H 2 14 LEU HB2 . . 4.020 2.572 2.351 2.768 . 0 0 "[ . 1 . 2]" 1
775 2 14 LEU H 2 14 LEU HB3 . . 4.120 3.715 3.531 3.850 . 0 0 "[ . 1 . 2]" 1
776 2 14 LEU H 2 14 LEU MD1 . . 4.520 4.130 3.734 4.532 0.012 11 0 "[ . 1 . 2]" 1
777 2 14 LEU H 2 14 LEU HG . . 4.220 3.319 2.982 3.596 . 0 0 "[ . 1 . 2]" 1
778 2 14 LEU H 2 45 LEU H . . 4.140 3.446 3.199 3.757 . 0 0 "[ . 1 . 2]" 1
779 2 14 LEU H 2 46 LYS HA . . 4.190 3.237 2.995 3.461 . 0 0 "[ . 1 . 2]" 1
780 2 14 LEU H 2 47 VAL H . . 4.350 4.418 4.277 4.554 0.204 12 0 "[ . 1 . 2]" 1
781 2 14 LEU HA 2 14 LEU MD1 . . 4.690 3.819 3.778 3.873 . 0 0 "[ . 1 . 2]" 1
782 2 14 LEU HB2 2 45 LEU H . . 4.220 4.015 3.264 4.273 0.053 12 0 "[ . 1 . 2]" 1
783 2 14 LEU HB3 2 45 LEU H . . 5.420 4.727 4.328 4.971 . 0 0 "[ . 1 . 2]" 1
784 2 15 THR H 2 15 THR MG . . 4.730 3.263 2.663 3.816 . 0 0 "[ . 1 . 2]" 1
785 2 15 THR HA 2 15 THR MG . . 3.710 2.258 2.172 2.316 . 0 0 "[ . 1 . 2]" 1
786 2 15 THR HA 2 44 GLY HA2 . . 4.340 3.114 2.172 3.918 . 0 0 "[ . 1 . 2]" 1
787 2 15 THR HA 2 44 GLY HA3 . . 4.340 2.070 1.873 2.669 . 0 0 "[ . 1 . 2]" 1
788 2 15 THR HA 2 45 LEU H . . 4.240 3.357 2.987 3.628 . 0 0 "[ . 1 . 2]" 1
789 2 15 THR MG 2 43 ARG HB2 . . 4.700 3.657 2.853 4.662 . 0 0 "[ . 1 . 2]" 1
790 2 15 THR MG 2 43 ARG HB3 . . 4.460 3.157 1.961 3.903 . 0 0 "[ . 1 . 2]" 1
791 2 15 THR MG 2 43 ARG QD . . 4.690 3.889 2.695 4.732 0.042 4 0 "[ . 1 . 2]" 1
792 2 15 THR MG 2 44 GLY QA . . 5.110 2.928 2.338 3.490 . 0 0 "[ . 1 . 2]" 1
793 2 15 THR MG 2 45 LEU H . . 4.640 4.593 4.078 4.793 0.153 10 0 "[ . 1 . 2]" 1
794 2 16 THR H 2 44 GLY H . . 4.880 4.316 3.905 4.901 0.021 10 0 "[ . 1 . 2]" 1
795 2 16 THR H 2 44 GLY HA2 . . 5.260 2.559 1.859 3.389 . 0 0 "[ . 1 . 2]" 1
796 2 16 THR H 2 44 GLY QA . . 4.390 2.232 1.844 2.686 . 0 0 "[ . 1 . 2]" 1
797 2 16 THR H 2 44 GLY HA3 . . 5.260 2.672 2.073 3.787 . 0 0 "[ . 1 . 2]" 1
798 2 16 THR HA 2 44 GLY QA . . 4.960 4.653 4.343 4.970 0.010 2 0 "[ . 1 . 2]" 1
799 2 16 THR HB 2 45 LEU H . . 5.290 5.269 4.997 5.343 0.053 6 0 "[ . 1 . 2]" 1
800 2 16 THR HB 2 45 LEU QD . . 5.440 4.671 3.384 5.425 . 0 0 "[ . 1 . 2]" 1
801 2 16 THR MG 2 44 GLY H . . 4.500 4.279 3.835 4.581 0.081 16 0 "[ . 1 . 2]" 1
802 2 16 THR MG 2 44 GLY HA2 . . 4.310 2.241 1.941 2.681 . 0 0 "[ . 1 . 2]" 1
803 2 16 THR MG 2 44 GLY HA3 . . 4.310 3.255 2.386 4.209 . 0 0 "[ . 1 . 2]" 1
804 2 16 THR MG 2 45 LEU H . . 4.150 3.381 2.923 3.993 . 0 0 "[ . 1 . 2]" 1
805 2 16 THR MG 2 45 LEU HA . . 5.500 5.328 4.873 5.556 0.056 16 0 "[ . 1 . 2]" 1
806 2 16 THR MG 2 45 LEU QB . . 4.630 4.253 3.489 4.694 0.064 11 0 "[ . 1 . 2]" 1
807 2 18 ARG H 2 19 LEU H . . 5.100 3.084 1.810 4.433 . 0 0 "[ . 1 . 2]" 1
808 2 18 ARG HA 2 18 ARG QD . . 4.430 4.083 3.004 4.466 0.036 4 0 "[ . 1 . 2]" 1
809 2 18 ARG HA 2 43 ARG HB2 . . 5.500 5.016 3.971 5.575 0.075 6 0 "[ . 1 . 2]" 1
810 2 18 ARG HA 2 43 ARG HB3 . . 5.380 4.362 3.667 5.445 0.065 13 0 "[ . 1 . 2]" 1
811 2 18 ARG HA 2 43 ARG QG . . 3.840 2.915 2.003 3.876 0.036 10 0 "[ . 1 . 2]" 1
812 2 18 ARG QB 2 18 ARG QD . . 2.980 2.234 2.098 2.819 . 0 0 "[ . 1 . 2]" 1
813 2 20 PRO HA 2 42 LYS HA . . 3.670 3.229 2.346 3.709 0.039 1 0 "[ . 1 . 2]" 1
814 2 20 PRO HA 2 42 LYS QB . . 4.010 2.279 1.816 2.905 . 0 0 "[ . 1 . 2]" 1
815 2 21 VAL H 2 21 VAL QG . . 3.340 2.123 1.838 2.325 . 0 0 "[ . 1 . 2]" 1
816 2 21 VAL H 2 42 LYS HA . . 3.580 2.970 1.919 3.621 0.041 8 0 "[ . 1 . 2]" 1
817 2 21 VAL H 2 42 LYS QB . . 3.560 2.245 1.941 2.639 . 0 0 "[ . 1 . 2]" 1
818 2 21 VAL H 2 42 LYS HG3 . . 4.750 4.615 4.197 4.817 0.067 15 0 "[ . 1 . 2]" 1
819 2 21 VAL QG 2 25 LYS QE . . 4.480 3.798 3.150 4.460 . 0 0 "[ . 1 . 2]" 1
820 2 21 VAL QG 2 40 ILE HA . . 4.500 4.240 3.904 4.544 0.044 6 0 "[ . 1 . 2]" 1
821 2 21 VAL QG 2 40 ILE HB . . 4.780 3.266 2.778 3.530 . 0 0 "[ . 1 . 2]" 1
822 2 21 VAL QG 2 40 ILE MG . . 3.210 2.098 1.792 2.695 . 0 0 "[ . 1 . 2]" 1
823 2 21 VAL QG 2 41 THR H . . 4.410 3.721 3.278 4.070 . 0 0 "[ . 1 . 2]" 1
824 2 21 VAL QG 2 41 THR HA . . 4.020 2.756 2.393 3.119 . 0 0 "[ . 1 . 2]" 1
825 2 21 VAL QG 2 42 LYS H . . 4.840 2.872 2.687 3.098 . 0 0 "[ . 1 . 2]" 1
826 2 21 VAL QG 2 42 LYS HA . . 3.360 2.081 1.738 2.765 . 0 0 "[ . 1 . 2]" 1
827 2 21 VAL QG 2 42 LYS QB . . 3.160 2.121 1.937 2.517 . 0 0 "[ . 1 . 2]" 1
828 2 21 VAL QG 2 42 LYS QD . . 4.170 4.045 2.917 4.258 0.088 19 0 "[ . 1 . 2]" 1
829 2 21 VAL QG 2 42 LYS HG3 . . 4.170 3.554 2.894 4.143 . 0 0 "[ . 1 . 2]" 1
830 2 21 VAL QG 2 44 GLY H . . 5.120 4.381 3.769 5.041 . 0 0 "[ . 1 . 2]" 1
831 2 23 ARG HA 2 23 ARG QD . . 4.420 3.630 2.003 4.474 0.054 6 0 "[ . 1 . 2]" 1
832 2 23 ARG HA 2 24 ILE MD . . 5.500 4.150 3.916 4.446 . 0 0 "[ . 1 . 2]" 1
833 2 23 ARG QB 2 23 ARG QD . . 3.100 2.295 2.089 2.765 . 0 0 "[ . 1 . 2]" 1
834 2 24 ILE H 2 24 ILE HB . . 3.810 2.622 2.568 2.711 . 0 0 "[ . 1 . 2]" 1
835 2 24 ILE H 2 24 ILE MD . . 5.340 3.144 2.885 3.370 . 0 0 "[ . 1 . 2]" 1
836 2 24 ILE H 2 24 ILE HG12 . . 4.160 2.172 1.965 2.398 . 0 0 "[ . 1 . 2]" 1
837 2 24 ILE H 2 24 ILE HG13 . . 4.320 3.647 3.518 3.799 . 0 0 "[ . 1 . 2]" 1
838 2 24 ILE H 2 24 ILE MG . . 3.780 3.789 3.773 3.810 0.030 3 0 "[ . 1 . 2]" 1
839 2 24 ILE HA 2 24 ILE MD . . 2.950 2.315 2.277 2.414 . 0 0 "[ . 1 . 2]" 1
840 2 24 ILE HA 2 24 ILE HG12 . . 4.140 3.337 3.271 3.422 . 0 0 "[ . 1 . 2]" 1
841 2 24 ILE HA 2 24 ILE HG13 . . 4.090 3.920 3.899 3.963 . 0 0 "[ . 1 . 2]" 1
842 2 24 ILE HA 2 24 ILE MG . . 3.610 2.325 2.283 2.365 . 0 0 "[ . 1 . 2]" 1
843 2 24 ILE HA 2 40 ILE MD . . 5.500 5.362 5.098 5.526 0.026 13 0 "[ . 1 . 2]" 1
844 2 24 ILE HA 2 40 ILE HG13 . . 4.960 5.080 5.020 5.173 0.213 9 0 "[ . 1 . 2]" 1
845 2 24 ILE HA 2 40 ILE MG . . 5.480 4.518 4.053 5.053 . 0 0 "[ . 1 . 2]" 1
846 2 24 ILE HA 2 41 THR HA . . 3.630 3.146 2.883 3.403 . 0 0 "[ . 1 . 2]" 1
847 2 24 ILE HB 2 24 ILE MD . . 3.430 3.248 3.236 3.256 . 0 0 "[ . 1 . 2]" 1
848 2 24 ILE HB 2 41 THR HA . . 5.500 5.046 4.866 5.226 . 0 0 "[ . 1 . 2]" 1
849 2 24 ILE HB 2 41 THR MG . . 4.450 4.385 4.210 4.479 0.029 4 0 "[ . 1 . 2]" 1
850 2 24 ILE MD 2 39 PHE QD . . 5.370 5.175 5.004 5.392 0.022 2 0 "[ . 1 . 2]" 1
851 2 24 ILE MD 2 40 ILE HA . . 5.480 5.157 5.081 5.237 . 0 0 "[ . 1 . 2]" 1
852 2 24 ILE MD 2 41 THR HA . . 5.460 1.768 1.734 1.827 . 0 0 "[ . 1 . 2]" 1
853 2 24 ILE MD 2 41 THR MG . . 3.990 2.048 1.971 2.182 . 0 0 "[ . 1 . 2]" 1
854 2 24 ILE HG12 2 41 THR HA . . 5.130 4.305 4.213 4.457 . 0 0 "[ . 1 . 2]" 1
855 2 24 ILE HG12 2 41 THR HB . . 5.040 5.136 5.112 5.183 0.143 8 0 "[ . 1 . 2]" 1
856 2 24 ILE HG13 2 24 ILE MG . . 3.240 2.356 2.339 2.375 . 0 0 "[ . 1 . 2]" 1
857 2 24 ILE HG13 2 41 THR HA . . 4.530 4.224 4.165 4.317 . 0 0 "[ . 1 . 2]" 1
858 2 24 ILE HG13 2 41 THR HB . . 4.990 4.400 4.272 4.510 . 0 0 "[ . 1 . 2]" 1
859 2 24 ILE HG13 2 42 LYS H . . 5.310 4.788 4.634 5.063 . 0 0 "[ . 1 . 2]" 1
860 2 24 ILE MG 2 39 PHE HA . . 5.150 3.692 3.006 4.198 . 0 0 "[ . 1 . 2]" 1
861 2 24 ILE MG 2 39 PHE HB3 . . 4.920 3.095 2.425 3.735 . 0 0 "[ . 1 . 2]" 1
862 2 24 ILE MG 2 39 PHE QD . . 3.840 2.702 2.347 3.019 . 0 0 "[ . 1 . 2]" 1
863 2 24 ILE MG 2 39 PHE QE . . 4.070 4.144 4.106 4.218 0.148 18 0 "[ . 1 . 2]" 1
864 2 24 ILE MG 2 40 ILE H . . 4.130 3.527 3.107 3.809 . 0 0 "[ . 1 . 2]" 1
865 2 24 ILE MG 2 40 ILE HA . . 4.960 4.710 4.275 4.972 0.012 11 0 "[ . 1 . 2]" 1
866 2 24 ILE MG 2 41 THR HA . . 3.430 2.766 2.620 2.892 . 0 0 "[ . 1 . 2]" 1
867 2 24 ILE MG 2 42 LYS H . . 4.430 4.510 4.470 4.560 0.130 6 0 "[ . 1 . 2]" 1
868 2 25 LYS H 2 25 LYS QG . . 4.660 2.373 1.917 3.130 . 0 0 "[ . 1 . 2]" 1
869 2 25 LYS H 2 27 TYR QE . . 5.330 5.351 5.179 5.407 0.077 1 0 "[ . 1 . 2]" 1
870 2 25 LYS H 2 39 PHE HA . . 5.450 4.306 3.946 4.600 . 0 0 "[ . 1 . 2]" 1
871 2 25 LYS H 2 40 ILE H . . 4.350 2.845 2.545 3.162 . 0 0 "[ . 1 . 2]" 1
872 2 25 LYS H 2 40 ILE HB . . 4.090 2.838 2.484 3.435 . 0 0 "[ . 1 . 2]" 1
873 2 25 LYS H 2 40 ILE HG13 . . 4.590 3.500 3.340 3.657 . 0 0 "[ . 1 . 2]" 1
874 2 25 LYS HA 2 25 LYS QE . . 4.320 4.007 3.552 4.390 0.070 16 0 "[ . 1 . 2]" 1
875 2 25 LYS QB 2 25 LYS QD . . 2.550 2.325 2.219 2.610 0.060 2 0 "[ . 1 . 2]" 1
876 2 25 LYS QB 2 25 LYS QE . . 2.960 2.036 1.762 2.593 . 0 0 "[ . 1 . 2]" 1
877 2 25 LYS QB 2 26 THR H . . 4.320 2.569 2.420 2.829 . 0 0 "[ . 1 . 2]" 1
878 2 25 LYS QB 2 27 TYR QE . . 4.710 3.932 3.479 4.385 . 0 0 "[ . 1 . 2]" 1
879 2 25 LYS QB 2 40 ILE H . . 5.030 4.763 4.534 5.100 0.070 7 0 "[ . 1 . 2]" 1
880 2 25 LYS QB 2 40 ILE HG13 . . 4.770 4.369 4.084 4.804 0.034 6 0 "[ . 1 . 2]" 1
881 2 25 LYS QD 2 27 TYR QD . . 4.300 3.946 3.660 4.339 0.039 13 0 "[ . 1 . 2]" 1
882 2 25 LYS QD 2 27 TYR QE . . 3.830 2.126 1.883 2.620 . 0 0 "[ . 1 . 2]" 1
883 2 25 LYS QD 2 40 ILE HB . . 3.840 3.572 2.198 3.883 0.043 11 0 "[ . 1 . 2]" 1
884 2 25 LYS QD 2 40 ILE MD . . 3.780 1.955 1.812 2.128 . 0 0 "[ . 1 . 2]" 1
885 2 25 LYS QD 2 40 ILE HG13 . . 3.360 3.393 2.529 3.513 0.153 5 0 "[ . 1 . 2]" 1
886 2 25 LYS QD 2 40 ILE MG . . 4.070 3.863 3.250 4.082 0.012 20 0 "[ . 1 . 2]" 1
887 2 25 LYS QE 2 25 LYS QG . . 3.400 2.302 2.170 2.798 . 0 0 "[ . 1 . 2]" 1
888 2 25 LYS QE 2 26 THR H . . 5.500 5.207 4.683 5.571 0.071 9 0 "[ . 1 . 2]" 1
889 2 25 LYS QE 2 27 TYR QE . . 4.350 3.936 3.584 4.202 . 0 0 "[ . 1 . 2]" 1
890 2 25 LYS QE 2 40 ILE H . . 5.500 4.783 2.837 5.617 0.117 11 0 "[ . 1 . 2]" 1
891 2 25 LYS QE 2 40 ILE HB . . 4.320 3.224 1.785 4.037 . 0 0 "[ . 1 . 2]" 1
892 2 25 LYS QE 2 40 ILE MD . . 4.950 2.963 2.304 3.561 . 0 0 "[ . 1 . 2]" 1
893 2 25 LYS QE 2 40 ILE MG . . 4.130 3.814 3.198 4.186 0.056 16 0 "[ . 1 . 2]" 1
894 2 25 LYS QG 2 26 THR H . . 4.730 3.563 3.267 3.900 . 0 0 "[ . 1 . 2]" 1
895 2 25 LYS QG 2 27 TYR QD . . 4.700 3.059 2.826 3.260 . 0 0 "[ . 1 . 2]" 1
896 2 25 LYS QG 2 27 TYR QE . . 4.470 2.335 1.989 2.609 . 0 0 "[ . 1 . 2]" 1
897 2 25 LYS QG 2 40 ILE H . . 5.090 3.346 3.011 3.891 . 0 0 "[ . 1 . 2]" 1
898 2 25 LYS QG 2 40 ILE HB . . 4.260 2.738 2.104 3.857 . 0 0 "[ . 1 . 2]" 1
899 2 25 LYS QG 2 40 ILE HG13 . . 5.220 2.372 2.118 2.988 . 0 0 "[ . 1 . 2]" 1
900 2 25 LYS QG 2 40 ILE MG . . 4.650 3.858 3.403 4.726 0.076 2 0 "[ . 1 . 2]" 1
901 2 26 THR H 2 26 THR HB . . 3.930 3.687 3.591 3.755 . 0 0 "[ . 1 . 2]" 1
902 2 26 THR H 2 26 THR MG . . 4.020 3.146 2.963 3.353 . 0 0 "[ . 1 . 2]" 1
903 2 26 THR H 2 27 TYR H . . 5.010 4.280 4.243 4.324 . 0 0 "[ . 1 . 2]" 1
904 2 26 THR H 2 39 PHE HA . . 5.420 4.891 4.738 5.120 . 0 0 "[ . 1 . 2]" 1
905 2 26 THR HA 2 26 THR MG . . 3.560 2.281 2.254 2.307 . 0 0 "[ . 1 . 2]" 1
906 2 26 THR HA 2 37 VAL QG . . 4.870 3.688 3.458 3.813 . 0 0 "[ . 1 . 2]" 1
907 2 26 THR HA 2 38 ILE H . . 4.990 3.731 3.565 3.875 . 0 0 "[ . 1 . 2]" 1
908 2 26 THR HA 2 38 ILE MG . . 5.120 4.310 4.174 4.500 . 0 0 "[ . 1 . 2]" 1
909 2 26 THR HA 2 39 PHE HA . . 4.130 2.801 2.662 3.025 . 0 0 "[ . 1 . 2]" 1
910 2 26 THR HA 2 40 ILE H . . 4.550 3.629 3.443 3.831 . 0 0 "[ . 1 . 2]" 1
911 2 26 THR HA 2 40 ILE HG13 . . 5.500 4.124 3.878 4.355 . 0 0 "[ . 1 . 2]" 1
912 2 26 THR HB 2 27 TYR H . . 4.060 3.110 2.721 3.194 . 0 0 "[ . 1 . 2]" 1
913 2 26 THR HB 2 37 VAL MG1 . . 4.640 2.257 1.977 2.500 . 0 0 "[ . 1 . 2]" 1
914 2 26 THR HB 2 37 VAL QG . . 3.640 2.250 1.973 2.490 . 0 0 "[ . 1 . 2]" 1
915 2 26 THR HB 2 37 VAL MG2 . . 4.640 4.421 4.137 4.646 0.006 9 0 "[ . 1 . 2]" 1
916 2 26 THR HB 2 38 ILE H . . 5.350 3.604 3.310 3.970 . 0 0 "[ . 1 . 2]" 1
917 2 26 THR HB 2 39 PHE QE . . 5.470 4.883 4.674 5.077 . 0 0 "[ . 1 . 2]" 1
918 2 26 THR MG 2 37 VAL HB . . 4.420 4.485 4.452 4.501 0.081 6 0 "[ . 1 . 2]" 1
919 2 26 THR MG 2 37 VAL QG . . 3.140 2.343 2.279 2.405 . 0 0 "[ . 1 . 2]" 1
920 2 26 THR MG 2 38 ILE H . . 4.280 3.866 3.651 4.132 . 0 0 "[ . 1 . 2]" 1
921 2 26 THR MG 2 39 PHE HA . . 3.810 2.369 2.210 2.527 . 0 0 "[ . 1 . 2]" 1
922 2 26 THR MG 2 39 PHE HB2 . . 5.290 4.034 3.941 4.182 . 0 0 "[ . 1 . 2]" 1
923 2 26 THR MG 2 39 PHE HB3 . . 5.010 3.713 3.491 3.958 . 0 0 "[ . 1 . 2]" 1
924 2 26 THR MG 2 39 PHE QD . . 3.780 2.762 2.684 2.829 . 0 0 "[ . 1 . 2]" 1
925 2 26 THR MG 2 39 PHE QE . . 3.630 2.863 2.745 2.954 . 0 0 "[ . 1 . 2]" 1
926 2 26 THR MG 2 40 ILE H . . 4.040 3.923 3.714 4.069 0.029 2 0 "[ . 1 . 2]" 1
927 2 26 THR MG 2 46 LYS QD . . 4.810 4.853 4.742 4.935 0.125 12 0 "[ . 1 . 2]" 1
928 2 26 THR MG 2 46 LYS QE . . 4.910 4.899 4.699 5.074 0.164 1 0 "[ . 1 . 2]" 1
929 2 27 TYR H 2 27 TYR HB2 . . 4.160 2.454 2.369 2.549 . 0 0 "[ . 1 . 2]" 1
930 2 27 TYR H 2 27 TYR HB3 . . 4.020 3.675 3.627 3.717 . 0 0 "[ . 1 . 2]" 1
931 2 27 TYR H 2 27 TYR QD . . 4.190 2.841 2.631 3.018 . 0 0 "[ . 1 . 2]" 1
932 2 27 TYR H 2 27 TYR QE . . 5.130 4.909 4.703 5.035 . 0 0 "[ . 1 . 2]" 1
933 2 27 TYR H 2 37 VAL HA . . 4.720 4.228 3.981 4.457 . 0 0 "[ . 1 . 2]" 1
934 2 27 TYR H 2 37 VAL QG . . 4.510 3.665 3.297 3.864 . 0 0 "[ . 1 . 2]" 1
935 2 27 TYR H 2 38 ILE H . . 3.870 2.486 2.343 2.653 . 0 0 "[ . 1 . 2]" 1
936 2 27 TYR H 2 38 ILE HB . . 4.790 2.466 2.219 2.731 . 0 0 "[ . 1 . 2]" 1
937 2 27 TYR H 2 38 ILE MD . . 5.310 3.965 3.304 4.370 . 0 0 "[ . 1 . 2]" 1
938 2 27 TYR H 2 38 ILE HG12 . . 5.500 5.198 4.959 5.395 . 0 0 "[ . 1 . 2]" 1
939 2 27 TYR H 2 38 ILE HG13 . . 5.500 4.203 3.826 5.000 . 0 0 "[ . 1 . 2]" 1
940 2 27 TYR H 2 38 ILE MG . . 5.500 3.806 3.618 3.985 . 0 0 "[ . 1 . 2]" 1
941 2 27 TYR H 2 39 PHE HA . . 5.270 4.278 4.133 4.496 . 0 0 "[ . 1 . 2]" 1
942 2 27 TYR HA 2 27 TYR QD . . 4.280 2.940 2.716 3.082 . 0 0 "[ . 1 . 2]" 1
943 2 27 TYR HA 2 27 TYR QE . . 5.050 4.587 4.460 4.669 . 0 0 "[ . 1 . 2]" 1
944 2 27 TYR HB2 2 28 THR H . . 5.280 4.184 4.032 4.272 . 0 0 "[ . 1 . 2]" 1
945 2 27 TYR HB2 2 29 ILE MD . . 4.780 4.647 3.959 4.805 0.025 12 0 "[ . 1 . 2]" 1
946 2 27 TYR HB2 2 38 ILE H . . 5.140 3.534 3.238 3.772 . 0 0 "[ . 1 . 2]" 1
947 2 27 TYR HB2 2 38 ILE HB . . 4.140 2.181 2.000 2.347 . 0 0 "[ . 1 . 2]" 1
948 2 27 TYR HB2 2 38 ILE MD . . 4.550 2.306 1.912 2.761 . 0 0 "[ . 1 . 2]" 1
949 2 27 TYR HB2 2 38 ILE HG13 . . 5.500 3.595 3.195 4.420 . 0 0 "[ . 1 . 2]" 1
950 2 27 TYR HB2 2 38 ILE MG . . 5.010 3.533 3.303 3.760 . 0 0 "[ . 1 . 2]" 1
951 2 27 TYR HB2 2 40 ILE MD . . 4.730 4.583 4.231 4.779 0.049 18 0 "[ . 1 . 2]" 1
952 2 27 TYR HB3 2 28 THR H . . 4.600 3.186 2.965 3.387 . 0 0 "[ . 1 . 2]" 1
953 2 27 TYR HB3 2 29 ILE MD . . 4.560 4.505 3.685 4.657 0.097 4 0 "[ . 1 . 2]" 1
954 2 27 TYR HB3 2 38 ILE H . . 5.100 4.601 4.337 4.802 . 0 0 "[ . 1 . 2]" 1
955 2 27 TYR HB3 2 38 ILE HB . . 4.410 3.841 3.661 4.053 . 0 0 "[ . 1 . 2]" 1
956 2 27 TYR HB3 2 38 ILE MD . . 4.450 2.987 2.394 3.661 . 0 0 "[ . 1 . 2]" 1
957 2 27 TYR HB3 2 38 ILE HG13 . . 5.500 4.535 4.002 5.557 0.057 2 0 "[ . 1 . 2]" 1
958 2 27 TYR HB3 2 38 ILE MG . . 5.120 4.886 4.595 5.153 0.033 6 0 "[ . 1 . 2]" 1
959 2 27 TYR QD 2 28 THR H . . 4.840 3.955 3.699 4.223 . 0 0 "[ . 1 . 2]" 1
960 2 27 TYR QD 2 38 ILE HB . . 3.990 3.027 2.661 3.274 . 0 0 "[ . 1 . 2]" 1
961 2 27 TYR QD 2 38 ILE MD . . 4.180 3.732 3.189 3.947 . 0 0 "[ . 1 . 2]" 1
962 2 27 TYR QD 2 38 ILE HG13 . . 5.500 5.194 4.745 5.543 0.043 1 0 "[ . 1 . 2]" 1
963 2 27 TYR QD 2 38 ILE MG . . 4.720 3.419 3.061 3.677 . 0 0 "[ . 1 . 2]" 1
964 2 27 TYR QD 2 40 ILE MD . . 4.190 2.681 2.289 3.034 . 0 0 "[ . 1 . 2]" 1
965 2 27 TYR QD 2 40 ILE HG13 . . 4.650 3.147 2.991 3.375 . 0 0 "[ . 1 . 2]" 1
966 2 27 TYR QE 2 38 ILE MD . . 5.250 5.270 4.793 5.380 0.130 6 0 "[ . 1 . 2]" 1
967 2 27 TYR QE 2 38 ILE MG . . 5.500 4.818 4.405 5.081 . 0 0 "[ . 1 . 2]" 1
968 2 27 TYR QE 2 40 ILE HB . . 4.690 4.599 4.117 4.739 0.049 5 0 "[ . 1 . 2]" 1
969 2 27 TYR QE 2 40 ILE MD . . 3.470 1.928 1.794 2.086 . 0 0 "[ . 1 . 2]" 1
970 2 27 TYR QE 2 40 ILE HG12 . . 4.280 4.125 3.841 4.313 0.033 16 0 "[ . 1 . 2]" 1
971 2 27 TYR QE 2 40 ILE HG13 . . 4.550 3.255 2.836 3.479 . 0 0 "[ . 1 . 2]" 1
972 2 28 THR H 2 28 THR HB . . 3.750 2.963 2.590 3.705 . 0 0 "[ . 1 . 2]" 1
973 2 28 THR HA 2 29 ILE H . . 3.560 2.032 1.987 2.091 . 0 0 "[ . 1 . 2]" 1
974 2 28 THR HA 2 36 CYS H . . 4.780 4.064 3.715 4.537 . 0 0 "[ . 1 . 2]" 1
975 2 28 THR HA 2 37 VAL H . . 5.300 4.694 4.601 4.827 . 0 0 "[ . 1 . 2]" 1
976 2 28 THR HA 2 37 VAL HA . . 4.070 2.439 2.225 2.673 . 0 0 "[ . 1 . 2]" 1
977 2 28 THR HA 2 37 VAL HB . . 5.500 5.279 5.019 5.545 0.045 12 0 "[ . 1 . 2]" 1
978 2 28 THR HA 2 37 VAL MG1 . . 4.730 3.749 3.380 4.101 . 0 0 "[ . 1 . 2]" 1
979 2 28 THR HA 2 37 VAL QG . . 4.120 3.123 2.817 3.412 . 0 0 "[ . 1 . 2]" 1
980 2 28 THR HA 2 37 VAL MG2 . . 4.730 3.344 3.015 3.659 . 0 0 "[ . 1 . 2]" 1
981 2 28 THR HA 2 38 ILE H . . 4.410 3.658 3.435 3.924 . 0 0 "[ . 1 . 2]" 1
982 2 28 THR HB 2 29 ILE H . . 4.370 3.852 3.179 4.173 . 0 0 "[ . 1 . 2]" 1
983 2 28 THR HB 2 37 VAL QG . . 5.030 4.150 3.944 4.456 . 0 0 "[ . 1 . 2]" 1
984 2 28 THR MG 2 29 ILE H . . 4.230 2.963 2.543 3.629 . 0 0 "[ . 1 . 2]" 1
985 2 28 THR MG 2 35 ARG HA . . 5.010 4.044 3.150 5.099 0.089 8 0 "[ . 1 . 2]" 1
986 2 28 THR MG 2 35 ARG QD . . 4.400 4.004 3.204 4.475 0.075 3 0 "[ . 1 . 2]" 1
987 2 28 THR MG 2 36 CYS H . . 4.780 3.456 2.756 4.558 . 0 0 "[ . 1 . 2]" 1
988 2 28 THR MG 2 37 VAL H . . 5.030 4.598 4.401 4.847 . 0 0 "[ . 1 . 2]" 1
989 2 28 THR MG 2 37 VAL HB . . 4.720 4.709 4.396 4.811 0.091 16 0 "[ . 1 . 2]" 1
990 2 28 THR MG 2 37 VAL MG1 . . 4.650 3.418 2.581 3.774 . 0 0 "[ . 1 . 2]" 1
991 2 28 THR MG 2 37 VAL QG . . 3.290 2.135 1.972 2.246 . 0 0 "[ . 1 . 2]" 1
992 2 28 THR MG 2 37 VAL MG2 . . 4.650 2.165 2.024 2.323 . 0 0 "[ . 1 . 2]" 1
993 2 29 ILE H 2 29 ILE HB . . 3.910 2.524 2.410 2.868 . 0 0 "[ . 1 . 2]" 1
994 2 29 ILE H 2 29 ILE MD . . 4.620 3.774 3.665 3.904 . 0 0 "[ . 1 . 2]" 1
995 2 29 ILE H 2 29 ILE HG12 . . 4.240 3.807 3.370 3.918 . 0 0 "[ . 1 . 2]" 1
996 2 29 ILE H 2 29 ILE HG13 . . 4.280 2.576 2.153 2.802 . 0 0 "[ . 1 . 2]" 1
997 2 29 ILE H 2 29 ILE MG . . 4.760 3.770 3.696 3.818 . 0 0 "[ . 1 . 2]" 1
998 2 29 ILE H 2 30 THR H . . 4.770 4.351 4.233 4.459 . 0 0 "[ . 1 . 2]" 1
999 2 29 ILE H 2 35 ARG HA . . 4.800 4.382 4.161 4.657 . 0 0 "[ . 1 . 2]" 1
1000 2 29 ILE H 2 36 CYS H . . 4.060 2.608 2.375 2.942 . 0 0 "[ . 1 . 2]" 1
1001 2 29 ILE H 2 36 CYS HB2 . . 5.100 3.589 3.046 4.100 . 0 0 "[ . 1 . 2]" 1
1002 2 29 ILE H 2 37 VAL H . . 4.650 4.659 4.562 4.751 0.101 8 0 "[ . 1 . 2]" 1
1003 2 29 ILE H 2 37 VAL HA . . 4.780 3.584 3.382 3.772 . 0 0 "[ . 1 . 2]" 1
1004 2 29 ILE HB 2 31 GLU HG2 . . 5.500 4.933 4.128 5.652 0.152 5 0 "[ . 1 . 2]" 1
1005 2 29 ILE HB 2 31 GLU QG . . 4.840 4.332 4.021 4.812 . 0 0 "[ . 1 . 2]" 1
1006 2 29 ILE HB 2 31 GLU HG3 . . 5.500 5.164 4.153 5.580 0.080 12 0 "[ . 1 . 2]" 1
1007 2 29 ILE HB 2 34 LEU QD . . 4.490 3.543 3.067 4.049 . 0 0 "[ . 1 . 2]" 1
1008 2 29 ILE HB 2 35 ARG HA . . 5.370 4.532 4.254 4.857 . 0 0 "[ . 1 . 2]" 1
1009 2 29 ILE HB 2 36 CYS H . . 4.570 2.904 2.634 3.077 . 0 0 "[ . 1 . 2]" 1
1010 2 29 ILE HB 2 36 CYS HB2 . . 4.280 2.038 1.791 2.533 . 0 0 "[ . 1 . 2]" 1
1011 2 29 ILE HB 2 36 CYS HB3 . . 4.530 2.360 1.813 3.385 . 0 0 "[ . 1 . 2]" 1
1012 2 29 ILE HB 2 37 VAL QG . . 5.440 5.497 5.444 5.590 0.150 4 0 "[ . 1 . 2]" 1
1013 2 29 ILE MD 2 29 ILE MG . . 2.830 1.987 1.820 2.182 . 0 0 "[ . 1 . 2]" 1
1014 2 29 ILE MD 2 36 CYS H . . 5.200 4.676 4.453 4.868 . 0 0 "[ . 1 . 2]" 1
1015 2 29 ILE MD 2 36 CYS HA . . 5.500 4.981 4.671 5.392 . 0 0 "[ . 1 . 2]" 1
1016 2 29 ILE MD 2 36 CYS HB2 . . 4.470 3.063 2.803 3.241 . 0 0 "[ . 1 . 2]" 1
1017 2 29 ILE MD 2 36 CYS HB3 . . 4.790 2.592 2.161 3.372 . 0 0 "[ . 1 . 2]" 1
1018 2 29 ILE MD 2 37 VAL H . . 5.500 5.227 4.502 5.533 0.033 11 0 "[ . 1 . 2]" 1
1019 2 29 ILE MD 2 37 VAL HA . . 5.500 5.202 4.428 5.510 0.010 12 0 "[ . 1 . 2]" 1
1020 2 29 ILE MD 2 38 ILE H . . 5.460 5.197 4.442 5.388 . 0 0 "[ . 1 . 2]" 1
1021 2 29 ILE MD 2 38 ILE HB . . 4.870 4.815 4.224 4.916 0.046 1 0 "[ . 1 . 2]" 1
1022 2 29 ILE MD 2 38 ILE MD . . 3.570 1.950 1.783 2.477 . 0 0 "[ . 1 . 2]" 1
1023 2 29 ILE MD 2 38 ILE HG12 . . 4.790 3.576 2.950 4.411 . 0 0 "[ . 1 . 2]" 1
1024 2 29 ILE MD 2 38 ILE HG13 . . 4.350 3.299 2.272 3.918 . 0 0 "[ . 1 . 2]" 1
1025 2 29 ILE HG12 2 29 ILE MG . . 2.790 2.298 2.107 2.385 . 0 0 "[ . 1 . 2]" 1
1026 2 29 ILE HG12 2 36 CYS HB2 . . 4.850 4.849 4.526 5.000 0.150 16 0 "[ . 1 . 2]" 1
1027 2 29 ILE HG13 2 36 CYS H . . 5.320 4.627 3.932 4.986 . 0 0 "[ . 1 . 2]" 1
1028 2 29 ILE HG13 2 36 CYS HB2 . . 4.950 4.068 3.620 4.359 . 0 0 "[ . 1 . 2]" 1
1029 2 29 ILE HG13 2 36 CYS HB3 . . 5.400 3.354 2.482 4.457 . 0 0 "[ . 1 . 2]" 1
1030 2 29 ILE HG13 2 37 VAL HA . . 5.500 4.729 3.535 5.164 . 0 0 "[ . 1 . 2]" 1
1031 2 29 ILE MG 2 30 THR HA . . 4.850 3.422 3.128 4.006 . 0 0 "[ . 1 . 2]" 1
1032 2 29 ILE MG 2 31 GLU H . . 4.650 3.105 2.558 4.147 . 0 0 "[ . 1 . 2]" 1
1033 2 29 ILE MG 2 31 GLU QB . . 4.590 3.324 2.554 4.523 . 0 0 "[ . 1 . 2]" 1
1034 2 29 ILE MG 2 31 GLU HG2 . . 5.070 2.534 1.805 3.962 . 0 0 "[ . 1 . 2]" 1
1035 2 29 ILE MG 2 31 GLU QG . . 4.390 2.217 1.785 3.505 . 0 0 "[ . 1 . 2]" 1
1036 2 29 ILE MG 2 31 GLU HG3 . . 5.070 2.826 1.933 3.907 . 0 0 "[ . 1 . 2]" 1
1037 2 29 ILE MG 2 36 CYS H . . 4.750 3.878 3.357 4.351 . 0 0 "[ . 1 . 2]" 1
1038 2 29 ILE MG 2 36 CYS HB2 . . 4.960 3.208 2.847 3.948 . 0 0 "[ . 1 . 2]" 1
1039 2 29 ILE MG 2 36 CYS HB3 . . 5.370 3.823 3.376 4.581 . 0 0 "[ . 1 . 2]" 1
1040 2 30 THR H 2 30 THR HB . . 3.940 3.850 3.782 3.948 0.008 3 0 "[ . 1 . 2]" 1
1041 2 30 THR H 2 30 THR MG . . 4.200 3.175 2.979 3.344 . 0 0 "[ . 1 . 2]" 1
1042 2 30 THR H 2 34 LEU QD . . 5.150 4.834 4.385 5.302 0.152 11 0 "[ . 1 . 2]" 1
1043 2 30 THR H 2 36 CYS HB2 . . 5.380 5.545 5.481 5.634 0.254 2 0 "[ . 1 . 2]" 1
1044 2 30 THR HA 2 31 GLU H . . 3.340 2.175 2.096 2.305 . 0 0 "[ . 1 . 2]" 1
1045 2 30 THR HA 2 31 GLU QB . . 5.500 4.491 4.302 4.668 . 0 0 "[ . 1 . 2]" 1
1046 2 30 THR HA 2 34 LEU QD . . 4.930 3.606 3.082 4.386 . 0 0 "[ . 1 . 2]" 1
1047 2 30 THR HA 2 35 ARG HG3 . . 5.310 4.554 4.156 5.071 . 0 0 "[ . 1 . 2]" 1
1048 2 30 THR HA 2 36 CYS H . . 4.840 3.713 3.472 3.911 . 0 0 "[ . 1 . 2]" 1
1049 2 30 THR HB 2 31 GLU H . . 4.160 3.896 3.672 4.041 . 0 0 "[ . 1 . 2]" 1
1050 2 30 THR HB 2 35 ARG HG3 . . 5.070 5.060 4.817 5.154 0.084 3 0 "[ . 1 . 2]" 1
1051 2 30 THR MG 2 35 ARG HA . . 4.520 2.574 1.976 3.477 . 0 0 "[ . 1 . 2]" 1
1052 2 30 THR MG 2 35 ARG HB2 . . 4.740 4.344 3.735 4.690 . 0 0 "[ . 1 . 2]" 1
1053 2 30 THR MG 2 35 ARG HB3 . . 4.700 3.563 3.134 4.600 . 0 0 "[ . 1 . 2]" 1
1054 2 30 THR MG 2 35 ARG QD . . 4.470 3.705 3.203 4.240 . 0 0 "[ . 1 . 2]" 1
1055 2 30 THR MG 2 35 ARG HG2 . . 4.270 2.193 1.854 3.878 . 0 0 "[ . 1 . 2]" 1
1056 2 30 THR MG 2 36 CYS H . . 4.540 3.639 3.228 4.232 . 0 0 "[ . 1 . 2]" 1
1057 2 31 GLU H 2 31 GLU QB . . 3.670 2.760 2.400 3.275 . 0 0 "[ . 1 . 2]" 1
1058 2 31 GLU H 2 31 GLU QG . . 3.770 2.739 2.259 3.660 . 0 0 "[ . 1 . 2]" 1
1059 2 31 GLU H 2 34 LEU HB2 . . 4.570 4.309 3.410 4.678 0.108 10 0 "[ . 1 . 2]" 1
1060 2 31 GLU H 2 34 LEU HB3 . . 4.630 2.633 1.753 3.033 . 0 0 "[ . 1 . 2]" 1
1061 2 31 GLU H 2 34 LEU QD . . 4.320 2.783 2.271 3.234 . 0 0 "[ . 1 . 2]" 1
1062 2 31 GLU H 2 36 CYS H . . 5.160 4.867 4.345 5.207 0.047 7 0 "[ . 1 . 2]" 1
1063 2 31 GLU QB 2 34 LEU HB3 . . 4.670 3.316 1.980 4.604 . 0 0 "[ . 1 . 2]" 1
1064 2 31 GLU QB 2 34 LEU QD . . 3.870 3.172 1.837 4.096 0.226 6 0 "[ . 1 . 2]" 1
1065 2 31 GLU QG 2 34 LEU HB3 . . 4.550 3.678 2.566 4.537 . 0 0 "[ . 1 . 2]" 1
1066 2 31 GLU QG 2 34 LEU QD . . 3.430 2.720 2.137 3.344 . 0 0 "[ . 1 . 2]" 1
1067 2 31 GLU QG 2 34 LEU HG . . 4.830 4.358 3.332 4.998 0.168 19 0 "[ . 1 . 2]" 1
1068 2 34 LEU HA 2 34 LEU MD1 . . 4.370 3.132 2.145 3.442 . 0 0 "[ . 1 . 2]" 1
1069 2 34 LEU HA 2 34 LEU QD . . 3.270 2.230 2.133 2.408 . 0 0 "[ . 1 . 2]" 1
1070 2 34 LEU HA 2 34 LEU MD2 . . 4.370 2.524 2.164 3.909 . 0 0 "[ . 1 . 2]" 1
1071 2 34 LEU HA 2 52 GLN QG . . 4.480 3.425 2.693 4.291 . 0 0 "[ . 1 . 2]" 1
1072 2 34 LEU QD 2 35 ARG H . . 3.680 2.266 1.978 2.790 . 0 0 "[ . 1 . 2]" 1
1073 2 34 LEU QD 2 36 CYS H . . 4.370 3.310 2.622 4.220 . 0 0 "[ . 1 . 2]" 1
1074 2 34 LEU QD 2 36 CYS HA . . 4.530 3.638 3.306 4.217 . 0 0 "[ . 1 . 2]" 1
1075 2 34 LEU QD 2 36 CYS HB2 . . 3.760 2.651 2.059 3.431 . 0 0 "[ . 1 . 2]" 1
1076 2 34 LEU QD 2 49 CYS HA . . 4.860 3.395 2.951 4.108 . 0 0 "[ . 1 . 2]" 1
1077 2 34 LEU QD 2 49 CYS HB2 . . 4.020 3.268 2.847 3.949 . 0 0 "[ . 1 . 2]" 1
1078 2 34 LEU QD 2 49 CYS HB3 . . 3.670 2.155 1.766 3.669 . 0 0 "[ . 1 . 2]" 1
1079 2 34 LEU QD 2 50 ASP H . . 4.020 2.847 2.491 3.377 . 0 0 "[ . 1 . 2]" 1
1080 2 34 LEU QD 2 50 ASP HA . . 5.440 3.843 3.479 4.334 . 0 0 "[ . 1 . 2]" 1
1081 2 34 LEU QD 2 50 ASP HB3 . . 4.640 4.286 3.801 4.679 0.039 8 0 "[ . 1 . 2]" 1
1082 2 34 LEU QD 2 51 PRO HA . . 3.330 2.258 1.851 2.658 . 0 0 "[ . 1 . 2]" 1
1083 2 34 LEU QD 2 51 PRO QB . . 3.950 2.615 2.016 3.369 . 0 0 "[ . 1 . 2]" 1
1084 2 34 LEU QD 2 51 PRO HD2 . . 5.020 4.212 3.853 4.538 . 0 0 "[ . 1 . 2]" 1
1085 2 34 LEU QD 2 51 PRO HD3 . . 4.940 3.282 2.765 3.674 . 0 0 "[ . 1 . 2]" 1
1086 2 34 LEU QD 2 51 PRO HG2 . . 4.330 4.408 4.225 4.530 0.200 11 0 "[ . 1 . 2]" 1
1087 2 34 LEU QD 2 51 PRO HG3 . . 4.310 3.631 2.883 4.289 . 0 0 "[ . 1 . 2]" 1
1088 2 34 LEU QD 2 52 GLN QG . . 4.530 4.430 3.973 4.613 0.083 7 0 "[ . 1 . 2]" 1
1089 2 34 LEU MD1 2 36 CYS H . . 4.980 3.453 2.647 5.008 0.028 5 0 "[ . 1 . 2]" 1
1090 2 34 LEU MD1 2 36 CYS HB2 . . 4.410 2.811 2.065 4.448 0.038 11 0 "[ . 1 . 2]" 1
1091 2 34 LEU MD1 2 49 CYS HB3 . . 4.630 2.809 1.832 4.770 0.140 6 0 "[ . 1 . 2]" 1
1092 2 34 LEU MD1 2 50 ASP H . . 5.240 3.574 2.902 4.400 . 0 0 "[ . 1 . 2]" 1
1093 2 34 LEU MD2 2 36 CYS H . . 4.980 4.744 4.205 5.078 0.098 17 0 "[ . 1 . 2]" 1
1094 2 34 LEU MD2 2 36 CYS HB2 . . 4.410 4.182 2.883 4.517 0.107 8 0 "[ . 1 . 2]" 1
1095 2 34 LEU MD2 2 49 CYS HB3 . . 4.630 2.450 1.883 3.865 . 0 0 "[ . 1 . 2]" 1
1096 2 34 LEU MD2 2 50 ASP H . . 5.240 3.236 2.561 5.260 0.020 11 0 "[ . 1 . 2]" 1
1097 2 35 ARG H 2 35 ARG HB3 . . 3.850 3.643 2.520 3.811 . 0 0 "[ . 1 . 2]" 1
1098 2 35 ARG H 2 35 ARG QD . . 5.320 4.227 3.713 4.634 . 0 0 "[ . 1 . 2]" 1
1099 2 35 ARG H 2 35 ARG HG2 . . 4.370 4.075 3.815 4.380 0.010 16 0 "[ . 1 . 2]" 1
1100 2 35 ARG H 2 35 ARG HG3 . . 4.040 3.086 2.751 4.239 0.199 16 0 "[ . 1 . 2]" 1
1101 2 35 ARG H 2 36 CYS H . . 4.770 4.257 3.997 4.427 . 0 0 "[ . 1 . 2]" 1
1102 2 35 ARG H 2 50 ASP H . . 4.400 3.020 2.697 3.240 . 0 0 "[ . 1 . 2]" 1
1103 2 35 ARG H 2 50 ASP HA . . 5.500 4.632 4.374 4.751 . 0 0 "[ . 1 . 2]" 1
1104 2 35 ARG H 2 50 ASP HB2 . . 5.080 4.836 2.574 5.196 0.116 20 0 "[ . 1 . 2]" 1
1105 2 35 ARG H 2 50 ASP HB3 . . 5.040 3.523 2.483 4.010 . 0 0 "[ . 1 . 2]" 1
1106 2 35 ARG H 2 51 PRO HD2 . . 5.280 5.436 5.359 5.499 0.219 8 0 "[ . 1 . 2]" 1
1107 2 35 ARG H 2 52 GLN QG . . 5.010 3.613 2.702 4.127 . 0 0 "[ . 1 . 2]" 1
1108 2 35 ARG HA 2 36 CYS H . . 3.480 2.160 2.012 2.321 . 0 0 "[ . 1 . 2]" 1
1109 2 35 ARG HA 2 36 CYS HB2 . . 5.500 4.291 4.130 4.493 . 0 0 "[ . 1 . 2]" 1
1110 2 35 ARG HA 2 50 ASP H . . 5.500 4.544 4.354 4.657 . 0 0 "[ . 1 . 2]" 1
1111 2 35 ARG HB2 2 35 ARG HG3 . . 2.790 2.451 2.384 2.539 . 0 0 "[ . 1 . 2]" 1
1112 2 35 ARG HB2 2 36 CYS H . . 5.030 4.145 3.776 4.575 . 0 0 "[ . 1 . 2]" 1
1113 2 35 ARG HB2 2 50 ASP H . . 4.830 3.395 2.792 4.616 . 0 0 "[ . 1 . 2]" 1
1114 2 35 ARG HB2 2 50 ASP HB2 . . 4.850 3.950 1.786 4.999 0.149 16 0 "[ . 1 . 2]" 1
1115 2 35 ARG HB2 2 50 ASP HB3 . . 4.840 2.507 2.000 3.573 . 0 0 "[ . 1 . 2]" 1
1116 2 35 ARG HB3 2 36 CYS H . . 5.150 3.263 2.758 4.066 . 0 0 "[ . 1 . 2]" 1
1117 2 35 ARG HB3 2 37 VAL QG . . 5.440 3.667 3.381 4.095 . 0 0 "[ . 1 . 2]" 1
1118 2 35 ARG HB3 2 50 ASP H . . 5.500 4.239 3.320 4.728 . 0 0 "[ . 1 . 2]" 1
1119 2 35 ARG HB3 2 50 ASP HB2 . . 5.400 4.976 3.502 5.451 0.051 13 0 "[ . 1 . 2]" 1
1120 2 35 ARG HB3 2 50 ASP HB3 . . 5.470 3.767 2.411 5.031 . 0 0 "[ . 1 . 2]" 1
1121 2 35 ARG HB3 2 52 GLN QG . . 5.490 5.026 3.318 5.531 0.041 9 0 "[ . 1 . 2]" 1
1122 2 35 ARG QD 2 36 CYS H . . 5.500 5.144 4.742 5.625 0.125 6 0 "[ . 1 . 2]" 1
1123 2 35 ARG QD 2 37 VAL QG . . 4.990 4.411 3.707 5.050 0.060 11 0 "[ . 1 . 2]" 1
1124 2 35 ARG QD 2 50 ASP HB2 . . 5.140 4.833 2.871 5.274 0.134 19 0 "[ . 1 . 2]" 1
1125 2 35 ARG HG2 2 36 CYS H . . 4.900 4.311 3.383 4.660 . 0 0 "[ . 1 . 2]" 1
1126 2 36 CYS CB 2 49 CYS SG . . 3.100 3.091 3.039 3.122 0.022 20 0 "[ . 1 . 2]" 1
1127 2 36 CYS H 2 36 CYS HB2 . . 3.820 2.683 2.298 2.961 . 0 0 "[ . 1 . 2]" 1
1128 2 36 CYS HA 2 37 VAL QG . . 5.000 3.321 3.174 3.464 . 0 0 "[ . 1 . 2]" 1
1129 2 36 CYS HA 2 48 CYS H . . 4.970 4.363 4.064 4.690 . 0 0 "[ . 1 . 2]" 1
1130 2 36 CYS HA 2 49 CYS H . . 5.160 4.384 4.191 4.596 . 0 0 "[ . 1 . 2]" 1
1131 2 36 CYS HA 2 49 CYS HA . . 3.650 1.882 1.767 2.066 . 0 0 "[ . 1 . 2]" 1
1132 2 36 CYS HA 2 49 CYS HB2 . . 5.340 4.362 2.582 4.730 . 0 0 "[ . 1 . 2]" 1
1133 2 36 CYS HA 2 49 CYS HB3 . . 5.060 3.934 3.621 4.178 . 0 0 "[ . 1 . 2]" 1
1134 2 36 CYS HA 2 50 ASP H . . 3.970 3.005 2.537 3.398 . 0 0 "[ . 1 . 2]" 1
1135 2 36 CYS HB2 2 37 VAL H . . 4.320 4.282 4.011 4.376 0.056 2 0 "[ . 1 . 2]" 1
1136 2 36 CYS HB2 2 49 CYS HA . . 5.190 3.847 3.291 4.848 . 0 0 "[ . 1 . 2]" 1
1137 2 36 CYS HB3 2 37 VAL H . . 4.450 3.396 2.886 3.607 . 0 0 "[ . 1 . 2]" 1
1138 2 36 CYS HB3 2 38 ILE MD . . 4.850 3.937 2.944 4.496 . 0 0 "[ . 1 . 2]" 1
1139 2 36 CYS HB3 2 38 ILE HG13 . . 5.500 3.780 3.489 4.428 . 0 0 "[ . 1 . 2]" 1
1140 2 36 CYS HB3 2 48 CYS H . . 5.220 4.920 4.269 5.243 0.023 18 0 "[ . 1 . 2]" 1
1141 2 36 CYS HB3 2 49 CYS HA . . 4.520 4.110 3.910 4.382 . 0 0 "[ . 1 . 2]" 1
1142 2 36 CYS SG 2 49 CYS CB . . 3.100 3.114 3.018 3.162 0.062 14 0 "[ . 1 . 2]" 1
1143 2 36 CYS SG 2 49 CYS SG . . 2.100 2.037 2.025 2.050 . 0 0 "[ . 1 . 2]" 1
1144 2 37 VAL H 2 37 VAL HB . . 3.950 2.752 2.610 2.849 . 0 0 "[ . 1 . 2]" 1
1145 2 37 VAL H 2 37 VAL MG1 . . 4.170 3.886 3.821 3.930 . 0 0 "[ . 1 . 2]" 1
1146 2 37 VAL H 2 37 VAL QG . . 3.620 2.563 2.311 2.702 . 0 0 "[ . 1 . 2]" 1
1147 2 37 VAL H 2 37 VAL MG2 . . 4.170 2.601 2.329 2.753 . 0 0 "[ . 1 . 2]" 1
1148 2 37 VAL H 2 38 ILE H . . 4.740 4.277 4.171 4.362 . 0 0 "[ . 1 . 2]" 1
1149 2 37 VAL H 2 47 VAL HA . . 4.350 4.398 4.311 4.440 0.090 5 0 "[ . 1 . 2]" 1
1150 2 37 VAL H 2 48 CYS H . . 4.160 2.696 2.559 2.945 . 0 0 "[ . 1 . 2]" 1
1151 2 37 VAL H 2 48 CYS HA . . 5.270 4.509 4.383 4.672 . 0 0 "[ . 1 . 2]" 1
1152 2 37 VAL H 2 48 CYS HB2 . . 4.880 4.576 4.273 4.893 0.013 8 0 "[ . 1 . 2]" 1
1153 2 37 VAL H 2 48 CYS HB3 . . 4.940 3.172 2.866 3.587 . 0 0 "[ . 1 . 2]" 1
1154 2 37 VAL H 2 49 CYS H . . 5.080 4.595 4.481 4.853 . 0 0 "[ . 1 . 2]" 1
1155 2 37 VAL H 2 49 CYS HA . . 4.120 3.270 3.021 3.501 . 0 0 "[ . 1 . 2]" 1
1156 2 37 VAL H 2 50 ASP H . . 5.250 4.758 4.290 5.008 . 0 0 "[ . 1 . 2]" 1
1157 2 37 VAL HA 2 37 VAL MG1 . . 3.730 2.360 2.327 2.379 . 0 0 "[ . 1 . 2]" 1
1158 2 37 VAL HA 2 37 VAL MG2 . . 3.730 2.500 2.448 2.543 . 0 0 "[ . 1 . 2]" 1
1159 2 37 VAL HB 2 38 ILE H . . 4.580 4.022 3.933 4.100 . 0 0 "[ . 1 . 2]" 1
1160 2 37 VAL HB 2 39 PHE QD . . 4.850 4.022 3.778 4.252 . 0 0 "[ . 1 . 2]" 1
1161 2 37 VAL HB 2 39 PHE QE . . 4.330 3.124 2.428 3.420 . 0 0 "[ . 1 . 2]" 1
1162 2 37 VAL HB 2 47 VAL HA . . 5.500 4.858 4.565 4.980 . 0 0 "[ . 1 . 2]" 1
1163 2 37 VAL HB 2 48 CYS H . . 4.790 3.528 3.163 3.667 . 0 0 "[ . 1 . 2]" 1
1164 2 37 VAL HB 2 48 CYS HB2 . . 5.190 3.912 3.729 4.036 . 0 0 "[ . 1 . 2]" 1
1165 2 37 VAL HB 2 48 CYS HB3 . . 5.000 2.605 2.385 2.823 . 0 0 "[ . 1 . 2]" 1
1166 2 37 VAL QG 2 38 ILE H . . 3.960 2.595 2.482 2.722 . 0 0 "[ . 1 . 2]" 1
1167 2 37 VAL QG 2 39 PHE H . . 5.220 4.045 3.892 4.214 . 0 0 "[ . 1 . 2]" 1
1168 2 37 VAL QG 2 39 PHE HA . . 4.960 4.246 4.070 4.417 . 0 0 "[ . 1 . 2]" 1
1169 2 37 VAL QG 2 39 PHE QD . . 4.010 3.052 2.840 3.221 . 0 0 "[ . 1 . 2]" 1
1170 2 37 VAL QG 2 46 LYS QD . . 5.440 4.723 4.180 5.333 . 0 0 "[ . 1 . 2]" 1
1171 2 37 VAL QG 2 47 VAL HA . . 5.140 4.662 4.494 4.761 . 0 0 "[ . 1 . 2]" 1
1172 2 37 VAL QG 2 48 CYS HB2 . . 4.300 4.338 4.227 4.412 0.112 16 0 "[ . 1 . 2]" 1
1173 2 37 VAL QG 2 48 CYS HB3 . . 3.900 3.274 3.136 3.403 . 0 0 "[ . 1 . 2]" 1
1174 2 37 VAL QG 2 49 CYS HA . . 5.440 4.269 3.732 4.611 . 0 0 "[ . 1 . 2]" 1
1175 2 37 VAL QG 2 50 ASP H . . 5.440 4.670 4.204 5.108 . 0 0 "[ . 1 . 2]" 1
1176 2 37 VAL MG1 2 39 PHE QE . . 4.250 2.568 2.328 2.763 . 0 0 "[ . 1 . 2]" 1
1177 2 37 VAL MG1 2 48 CYS H . . 4.490 4.436 4.279 4.521 0.031 14 0 "[ . 1 . 2]" 1
1178 2 37 VAL MG1 2 48 CYS HB2 . . 4.950 4.890 4.778 4.971 0.021 16 0 "[ . 1 . 2]" 1
1179 2 37 VAL MG1 2 48 CYS HB3 . . 4.440 4.089 3.943 4.254 . 0 0 "[ . 1 . 2]" 1
1180 2 37 VAL MG2 2 39 PHE QE . . 4.250 4.076 3.730 4.299 0.049 20 0 "[ . 1 . 2]" 1
1181 2 37 VAL MG2 2 48 CYS H . . 4.490 4.467 4.136 4.532 0.042 13 0 "[ . 1 . 2]" 1
1182 2 37 VAL MG2 2 48 CYS HB2 . . 4.950 4.852 4.712 4.952 0.002 12 0 "[ . 1 . 2]" 1
1183 2 37 VAL MG2 2 48 CYS HB3 . . 4.440 3.447 3.291 3.579 . 0 0 "[ . 1 . 2]" 1
1184 2 38 ILE H 2 38 ILE HB . . 3.840 2.598 2.544 2.754 . 0 0 "[ . 1 . 2]" 1
1185 2 38 ILE H 2 38 ILE MD . . 3.990 3.612 2.110 3.886 . 0 0 "[ . 1 . 2]" 1
1186 2 38 ILE H 2 38 ILE HG12 . . 4.760 3.845 3.736 4.335 . 0 0 "[ . 1 . 2]" 1
1187 2 38 ILE H 2 38 ILE HG13 . . 4.510 2.639 2.444 3.411 . 0 0 "[ . 1 . 2]" 1
1188 2 38 ILE H 2 38 ILE MG . . 4.600 3.840 3.807 3.909 . 0 0 "[ . 1 . 2]" 1
1189 2 38 ILE HA 2 38 ILE MD . . 4.500 3.803 3.373 3.881 . 0 0 "[ . 1 . 2]" 1
1190 2 38 ILE HA 2 45 LEU QB . . 5.500 4.830 4.319 5.580 0.080 3 0 "[ . 1 . 2]" 1
1191 2 38 ILE HA 2 46 LYS H . . 5.170 4.497 4.214 4.908 . 0 0 "[ . 1 . 2]" 1
1192 2 38 ILE HA 2 47 VAL HA . . 4.330 2.369 2.232 2.532 . 0 0 "[ . 1 . 2]" 1
1193 2 38 ILE HA 2 47 VAL HB . . 5.210 3.799 3.346 4.431 . 0 0 "[ . 1 . 2]" 1
1194 2 38 ILE HA 2 48 CYS H . . 5.440 3.574 3.412 3.768 . 0 0 "[ . 1 . 2]" 1
1195 2 38 ILE MD 2 38 ILE MG . . 2.970 2.037 1.852 3.073 0.103 1 0 "[ . 1 . 2]" 1
1196 2 38 ILE MD 2 47 VAL HA . . 5.140 4.859 4.256 5.189 0.049 18 0 "[ . 1 . 2]" 1
1197 2 38 ILE MD 2 47 VAL HB . . 5.500 4.517 3.943 4.929 . 0 0 "[ . 1 . 2]" 1
1198 2 38 ILE HG12 2 38 ILE MG . . 3.320 2.336 2.117 2.418 . 0 0 "[ . 1 . 2]" 1
1199 2 38 ILE HG12 2 39 PHE H . . 5.350 4.674 4.421 5.303 . 0 0 "[ . 1 . 2]" 1
1200 2 38 ILE HG12 2 47 VAL HA . . 5.130 3.565 3.086 4.331 . 0 0 "[ . 1 . 2]" 1
1201 2 38 ILE HG12 2 47 VAL HB . . 5.290 3.395 2.886 3.904 . 0 0 "[ . 1 . 2]" 1
1202 2 38 ILE HG12 2 48 CYS H . . 5.420 4.507 4.079 5.442 0.022 1 0 "[ . 1 . 2]" 1
1203 2 38 ILE HG13 2 38 ILE MG . . 3.570 3.150 2.624 3.220 . 0 0 "[ . 1 . 2]" 1
1204 2 38 ILE HG13 2 39 PHE H . . 5.200 4.988 4.436 5.109 . 0 0 "[ . 1 . 2]" 1
1205 2 38 ILE HG13 2 47 VAL HA . . 5.070 4.235 2.855 4.702 . 0 0 "[ . 1 . 2]" 1
1206 2 38 ILE HG13 2 47 VAL HB . . 5.330 4.685 3.173 5.332 0.002 3 0 "[ . 1 . 2]" 1
1207 2 38 ILE HG13 2 48 CYS H . . 5.140 4.590 3.725 4.934 . 0 0 "[ . 1 . 2]" 1
1208 2 38 ILE MG 2 40 ILE H . . 5.330 3.744 3.486 4.037 . 0 0 "[ . 1 . 2]" 1
1209 2 38 ILE MG 2 40 ILE HG12 . . 3.950 2.526 2.188 2.945 . 0 0 "[ . 1 . 2]" 1
1210 2 39 PHE H 2 39 PHE QD . . 4.260 2.438 2.311 2.688 . 0 0 "[ . 1 . 2]" 1
1211 2 39 PHE H 2 45 LEU HA . . 5.160 4.776 4.457 5.038 . 0 0 "[ . 1 . 2]" 1
1212 2 39 PHE H 2 45 LEU QD . . 5.440 4.817 4.396 5.146 . 0 0 "[ . 1 . 2]" 1
1213 2 39 PHE H 2 46 LYS H . . 4.210 2.964 2.684 3.367 . 0 0 "[ . 1 . 2]" 1
1214 2 39 PHE H 2 46 LYS QB . . 4.740 3.023 2.443 3.677 . 0 0 "[ . 1 . 2]" 1
1215 2 39 PHE H 2 47 VAL HA . . 4.870 3.393 3.043 3.614 . 0 0 "[ . 1 . 2]" 1
1216 2 39 PHE H 2 47 VAL QG . . 4.900 4.295 3.441 4.750 . 0 0 "[ . 1 . 2]" 1
1217 2 39 PHE HA 2 39 PHE QD . . 4.310 3.133 3.031 3.217 . 0 0 "[ . 1 . 2]" 1
1218 2 39 PHE HA 2 40 ILE HB . . 5.080 4.969 4.817 5.112 0.032 7 0 "[ . 1 . 2]" 1
1219 2 39 PHE HA 2 46 LYS H . . 5.270 4.581 4.405 4.802 . 0 0 "[ . 1 . 2]" 1
1220 2 39 PHE HA 2 46 LYS QE . . 5.500 5.548 5.301 5.681 0.181 15 0 "[ . 1 . 2]" 1
1221 2 39 PHE HB2 2 40 ILE H . . 5.500 4.353 4.223 4.444 . 0 0 "[ . 1 . 2]" 1
1222 2 39 PHE HB2 2 41 THR MG . . 4.820 3.474 3.180 3.896 . 0 0 "[ . 1 . 2]" 1
1223 2 39 PHE HB2 2 46 LYS H . . 4.570 2.707 2.282 3.184 . 0 0 "[ . 1 . 2]" 1
1224 2 39 PHE HB2 2 46 LYS QB . . 4.260 1.796 1.756 1.828 . 0 0 "[ . 1 . 2]" 1
1225 2 39 PHE HB2 2 46 LYS QD . . 4.960 3.143 2.270 3.827 . 0 0 "[ . 1 . 2]" 1
1226 2 39 PHE HB2 2 46 LYS QG . . 4.960 3.421 2.668 4.009 . 0 0 "[ . 1 . 2]" 1
1227 2 39 PHE HB2 2 47 VAL HA . . 5.500 5.103 4.486 5.509 0.009 2 0 "[ . 1 . 2]" 1
1228 2 39 PHE HB3 2 40 ILE H . . 5.290 3.602 3.321 3.783 . 0 0 "[ . 1 . 2]" 1
1229 2 39 PHE HB3 2 41 THR MG . . 4.300 2.615 2.450 2.933 . 0 0 "[ . 1 . 2]" 1
1230 2 39 PHE HB3 2 46 LYS H . . 4.840 3.815 3.535 4.247 . 0 0 "[ . 1 . 2]" 1
1231 2 39 PHE HB3 2 46 LYS QB . . 4.620 3.094 2.678 3.322 . 0 0 "[ . 1 . 2]" 1
1232 2 39 PHE HB3 2 46 LYS QG . . 5.320 4.857 4.065 5.381 0.061 1 0 "[ . 1 . 2]" 1
1233 2 39 PHE QD 2 41 THR MG . . 4.660 3.650 3.361 3.887 . 0 0 "[ . 1 . 2]" 1
1234 2 39 PHE QD 2 46 LYS H . . 5.120 4.391 4.057 4.777 . 0 0 "[ . 1 . 2]" 1
1235 2 39 PHE QD 2 46 LYS QB . . 4.200 2.833 2.137 3.517 . 0 0 "[ . 1 . 2]" 1
1236 2 39 PHE QD 2 46 LYS QD . . 4.720 2.672 2.213 3.104 . 0 0 "[ . 1 . 2]" 1
1237 2 39 PHE QD 2 46 LYS QE . . 4.720 2.985 2.418 3.411 . 0 0 "[ . 1 . 2]" 1
1238 2 39 PHE QD 2 46 LYS QG . . 4.350 2.973 2.364 3.564 . 0 0 "[ . 1 . 2]" 1
1239 2 39 PHE QD 2 47 VAL H . . 5.180 5.200 4.842 5.292 0.112 3 0 "[ . 1 . 2]" 1
1240 2 39 PHE QD 2 47 VAL HA . . 5.500 4.033 3.262 4.447 . 0 0 "[ . 1 . 2]" 1
1241 2 39 PHE QE 2 46 LYS QB . . 5.080 4.559 4.004 5.127 0.047 15 0 "[ . 1 . 2]" 1
1242 2 39 PHE QE 2 46 LYS QD . . 4.940 3.249 2.581 3.991 . 0 0 "[ . 1 . 2]" 1
1243 2 39 PHE QE 2 46 LYS QE . . 5.180 3.214 2.428 3.881 . 0 0 "[ . 1 . 2]" 1
1244 2 39 PHE QE 2 48 CYS HB2 . . 5.500 4.093 3.242 4.536 . 0 0 "[ . 1 . 2]" 1
1245 2 39 PHE QE 2 48 CYS HB3 . . 5.410 3.979 2.978 4.524 . 0 0 "[ . 1 . 2]" 1
1246 2 40 ILE H 2 40 ILE HB . . 3.790 2.767 2.673 2.883 . 0 0 "[ . 1 . 2]" 1
1247 2 40 ILE H 2 40 ILE MD . . 4.520 3.843 3.722 4.010 . 0 0 "[ . 1 . 2]" 1
1248 2 40 ILE H 2 40 ILE HG12 . . 4.270 3.096 2.947 3.333 . 0 0 "[ . 1 . 2]" 1
1249 2 40 ILE H 2 40 ILE HG13 . . 4.520 2.208 2.028 2.421 . 0 0 "[ . 1 . 2]" 1
1250 2 40 ILE H 2 40 ILE MG . . 4.760 3.852 3.806 3.883 . 0 0 "[ . 1 . 2]" 1
1251 2 40 ILE H 2 41 THR H . . 5.350 4.378 4.293 4.424 . 0 0 "[ . 1 . 2]" 1
1252 2 40 ILE H 2 45 LEU HA . . 5.320 5.133 4.945 5.346 0.026 3 0 "[ . 1 . 2]" 1
1253 2 40 ILE H 2 45 LEU QD . . 4.960 4.670 4.095 4.985 0.025 18 0 "[ . 1 . 2]" 1
1254 2 40 ILE HA 2 40 ILE MD . . 4.230 3.854 3.808 3.953 . 0 0 "[ . 1 . 2]" 1
1255 2 40 ILE HA 2 45 LEU QB . . 5.500 3.630 3.238 4.098 . 0 0 "[ . 1 . 2]" 1
1256 2 40 ILE HB 2 40 ILE MD . . 3.560 2.522 2.457 2.599 . 0 0 "[ . 1 . 2]" 1
1257 2 40 ILE MD 2 40 ILE MG . . 2.510 1.932 1.870 2.004 . 0 0 "[ . 1 . 2]" 1
1258 2 40 ILE HG12 2 40 ILE MG . . 3.700 2.590 2.549 2.635 . 0 0 "[ . 1 . 2]" 1
1259 2 40 ILE HG12 2 45 LEU HA . . 5.240 4.996 4.645 5.285 0.045 10 0 "[ . 1 . 2]" 1
1260 2 40 ILE HG12 2 45 LEU QD . . 3.470 2.739 2.145 3.142 . 0 0 "[ . 1 . 2]" 1
1261 2 40 ILE HG13 2 40 ILE MG . . 3.120 3.137 3.113 3.150 0.030 4 0 "[ . 1 . 2]" 1
1262 2 40 ILE MG 2 41 THR H . . 3.940 2.907 2.832 2.992 . 0 0 "[ . 1 . 2]" 1
1263 2 40 ILE MG 2 45 LEU HA . . 5.090 4.207 3.877 4.705 . 0 0 "[ . 1 . 2]" 1
1264 2 41 THR H 2 41 THR HB . . 3.750 3.779 3.758 3.805 0.055 11 0 "[ . 1 . 2]" 1
1265 2 41 THR H 2 41 THR MG . . 3.620 2.696 2.562 2.819 . 0 0 "[ . 1 . 2]" 1
1266 2 41 THR H 2 43 ARG H . . 4.650 4.189 3.786 4.422 . 0 0 "[ . 1 . 2]" 1
1267 2 41 THR H 2 44 GLY H . . 3.820 3.451 3.300 3.699 . 0 0 "[ . 1 . 2]" 1
1268 2 41 THR H 2 45 LEU H . . 5.110 4.820 4.643 4.991 . 0 0 "[ . 1 . 2]" 1
1269 2 41 THR H 2 45 LEU HA . . 4.350 2.841 2.680 3.143 . 0 0 "[ . 1 . 2]" 1
1270 2 41 THR H 2 45 LEU QB . . 5.500 4.501 4.254 4.754 . 0 0 "[ . 1 . 2]" 1
1271 2 41 THR H 2 45 LEU QD . . 4.030 3.393 2.329 3.746 . 0 0 "[ . 1 . 2]" 1
1272 2 41 THR H 2 46 LYS H . . 5.140 4.396 4.054 4.819 . 0 0 "[ . 1 . 2]" 1
1273 2 41 THR HA 2 41 THR MG . . 3.550 2.466 2.414 2.543 . 0 0 "[ . 1 . 2]" 1
1274 2 41 THR HA 2 43 ARG H . . 4.830 4.171 3.956 4.448 . 0 0 "[ . 1 . 2]" 1
1275 2 41 THR MG 2 42 LYS H . . 4.100 3.707 3.623 3.814 . 0 0 "[ . 1 . 2]" 1
1276 2 41 THR MG 2 43 ARG H . . 4.600 4.288 4.098 4.523 . 0 0 "[ . 1 . 2]" 1
1277 2 41 THR MG 2 44 GLY H . . 4.560 4.418 3.816 4.612 0.052 10 0 "[ . 1 . 2]" 1
1278 2 41 THR MG 2 45 LEU HA . . 5.400 3.549 3.044 4.049 . 0 0 "[ . 1 . 2]" 1
1279 2 41 THR MG 2 46 LYS H . . 4.920 3.838 3.404 4.481 . 0 0 "[ . 1 . 2]" 1
1280 2 42 LYS H 2 42 LYS QB . . 3.740 2.810 2.538 2.976 . 0 0 "[ . 1 . 2]" 1
1281 2 42 LYS H 2 42 LYS QD . . 5.090 2.611 1.636 3.108 . 0 0 "[ . 1 . 2]" 1
1282 2 42 LYS H 2 42 LYS HG2 . . 5.090 3.558 3.303 3.711 . 0 0 "[ . 1 . 2]" 1
1283 2 42 LYS H 2 42 LYS HG3 . . 4.380 2.276 1.855 3.875 . 0 0 "[ . 1 . 2]" 1
1284 2 42 LYS H 2 43 ARG H . . 4.350 2.824 2.623 3.034 . 0 0 "[ . 1 . 2]" 1
1285 2 42 LYS H 2 44 GLY H . . 5.030 4.322 4.084 4.500 . 0 0 "[ . 1 . 2]" 1
1286 2 42 LYS HA 2 42 LYS QD . . 4.150 3.644 3.554 3.732 . 0 0 "[ . 1 . 2]" 1
1287 2 42 LYS HA 2 42 LYS QE . . 5.330 5.149 4.026 5.443 0.113 10 0 "[ . 1 . 2]" 1
1288 2 42 LYS HA 2 44 GLY H . . 4.640 4.137 3.540 4.686 0.046 11 0 "[ . 1 . 2]" 1
1289 2 42 LYS QB 2 42 LYS QD . . 2.910 2.383 2.237 2.691 . 0 0 "[ . 1 . 2]" 1
1290 2 42 LYS QB 2 42 LYS QE . . 3.680 3.472 2.068 3.686 0.006 6 0 "[ . 1 . 2]" 1
1291 2 42 LYS QD 2 44 GLY H . . 4.770 4.693 4.297 4.869 0.099 1 0 "[ . 1 . 2]" 1
1292 2 42 LYS QE 2 42 LYS HG2 . . 3.370 2.378 2.306 2.835 . 0 0 "[ . 1 . 2]" 1
1293 2 43 ARG H 2 43 ARG HB2 . . 3.640 2.854 2.501 3.423 . 0 0 "[ . 1 . 2]" 1
1294 2 43 ARG H 2 43 ARG QD . . 5.250 4.650 4.214 5.056 . 0 0 "[ . 1 . 2]" 1
1295 2 43 ARG H 2 43 ARG HG2 . . 4.800 4.292 3.986 4.674 . 0 0 "[ . 1 . 2]" 1
1296 2 43 ARG H 2 43 ARG HG3 . . 4.800 3.610 2.977 4.826 0.026 13 0 "[ . 1 . 2]" 1
1297 2 43 ARG H 2 44 GLY H . . 3.560 2.051 1.718 2.303 . 0 0 "[ . 1 . 2]" 1
1298 2 43 ARG HA 2 43 ARG QD . . 3.990 3.994 3.888 4.098 0.108 3 0 "[ . 1 . 2]" 1
1299 2 43 ARG HA 2 43 ARG HG2 . . 3.920 2.559 2.333 3.138 . 0 0 "[ . 1 . 2]" 1
1300 2 43 ARG HA 2 43 ARG QG . . 3.400 2.373 2.266 2.473 . 0 0 "[ . 1 . 2]" 1
1301 2 43 ARG HA 2 43 ARG HG3 . . 3.920 2.987 2.491 3.264 . 0 0 "[ . 1 . 2]" 1
1302 2 43 ARG HB2 2 43 ARG QD . . 3.000 2.412 2.309 2.510 . 0 0 "[ . 1 . 2]" 1
1303 2 43 ARG HB2 2 44 GLY H . . 5.420 3.824 2.304 4.603 . 0 0 "[ . 1 . 2]" 1
1304 2 43 ARG HB3 2 43 ARG QD . . 3.660 2.430 2.248 2.869 . 0 0 "[ . 1 . 2]" 1
1305 2 43 ARG HB3 2 44 GLY H . . 5.340 4.112 3.138 4.420 . 0 0 "[ . 1 . 2]" 1
1306 2 44 GLY H 2 45 LEU H . . 4.840 4.349 4.212 4.424 . 0 0 "[ . 1 . 2]" 1
1307 2 45 LEU H 2 45 LEU QB . . 3.470 2.711 2.578 2.840 . 0 0 "[ . 1 . 2]" 1
1308 2 45 LEU H 2 45 LEU QD . . 4.000 2.748 2.560 3.471 . 0 0 "[ . 1 . 2]" 1
1309 2 45 LEU H 2 45 LEU HG . . 4.900 4.088 2.893 4.646 . 0 0 "[ . 1 . 2]" 1
1310 2 45 LEU H 2 46 LYS H . . 5.260 4.330 4.046 4.423 . 0 0 "[ . 1 . 2]" 1
1311 2 45 LEU HA 2 45 LEU QD . . 3.910 2.868 2.052 3.057 . 0 0 "[ . 1 . 2]" 1
1312 2 45 LEU HA 2 45 LEU HG . . 4.230 2.608 2.455 3.748 . 0 0 "[ . 1 . 2]" 1
1313 2 45 LEU HA 2 46 LYS H . . 3.350 2.139 1.956 2.241 . 0 0 "[ . 1 . 2]" 1
1314 2 45 LEU QB 2 46 LYS H . . 4.370 2.678 2.408 3.037 . 0 0 "[ . 1 . 2]" 1
1315 2 45 LEU QD 2 46 LYS H . . 4.060 3.909 3.360 4.082 0.022 14 0 "[ . 1 . 2]" 1
1316 2 45 LEU HG 2 46 LYS H . . 4.660 4.103 3.753 4.786 0.126 3 0 "[ . 1 . 2]" 1
1317 2 46 LYS H 2 46 LYS QD . . 5.130 4.687 4.309 4.994 . 0 0 "[ . 1 . 2]" 1
1318 2 46 LYS H 2 46 LYS QG . . 4.550 3.956 3.792 4.114 . 0 0 "[ . 1 . 2]" 1
1319 2 46 LYS HA 2 46 LYS QD . . 4.540 4.149 4.032 4.241 . 0 0 "[ . 1 . 2]" 1
1320 2 46 LYS HA 2 46 LYS QG . . 4.010 2.554 2.409 2.746 . 0 0 "[ . 1 . 2]" 1
1321 2 46 LYS QB 2 46 LYS QD . . 3.470 2.243 2.048 2.433 . 0 0 "[ . 1 . 2]" 1
1322 2 46 LYS QB 2 46 LYS QE . . 3.900 2.711 2.005 3.510 . 0 0 "[ . 1 . 2]" 1
1323 2 46 LYS QB 2 47 VAL H . . 4.760 3.698 3.570 3.771 . 0 0 "[ . 1 . 2]" 1
1324 2 46 LYS QG 2 47 VAL H . . 4.260 2.772 2.456 3.107 . 0 0 "[ . 1 . 2]" 1
1325 2 47 VAL H 2 47 VAL HB . . 3.910 3.367 3.091 3.885 . 0 0 "[ . 1 . 2]" 1
1326 2 47 VAL H 2 47 VAL QG . . 3.400 2.180 2.063 2.290 . 0 0 "[ . 1 . 2]" 1
1327 2 47 VAL QG 2 48 CYS HA . . 4.910 3.500 3.159 3.873 . 0 0 "[ . 1 . 2]" 1
1328 2 49 CYS H 2 49 CYS HB2 . . 4.030 2.611 2.414 3.259 . 0 0 "[ . 1 . 2]" 1
1329 2 49 CYS H 2 49 CYS HB3 . . 4.000 3.575 2.906 3.814 . 0 0 "[ . 1 . 2]" 1
1330 2 49 CYS H 2 50 ASP H . . 5.040 4.409 4.220 4.488 . 0 0 "[ . 1 . 2]" 1
1331 2 50 ASP H 2 50 ASP HB2 . . 3.770 3.044 2.720 3.265 . 0 0 "[ . 1 . 2]" 1
1332 2 50 ASP H 2 50 ASP HB3 . . 3.720 2.678 2.436 3.715 . 0 0 "[ . 1 . 2]" 1
1333 2 50 ASP H 2 51 PRO HD2 . . 5.500 4.762 4.552 5.169 . 0 0 "[ . 1 . 2]" 1
1334 2 50 ASP H 2 51 PRO HD3 . . 5.500 4.075 3.612 4.352 . 0 0 "[ . 1 . 2]" 1
1335 2 50 ASP HA 2 51 PRO HD2 . . 3.580 2.231 1.983 2.796 . 0 0 "[ . 1 . 2]" 1
1336 2 50 ASP HA 2 51 PRO HD3 . . 3.590 2.179 1.837 2.452 . 0 0 "[ . 1 . 2]" 1
1337 2 50 ASP HA 2 51 PRO HG2 . . 4.760 4.321 4.188 4.571 . 0 0 "[ . 1 . 2]" 1
1338 2 50 ASP HA 2 52 GLN H . . 4.540 3.675 2.739 4.111 . 0 0 "[ . 1 . 2]" 1
1339 2 50 ASP HB2 2 51 PRO HD2 . . 4.950 4.351 3.919 4.800 . 0 0 "[ . 1 . 2]" 1
1340 2 50 ASP HB2 2 51 PRO HD3 . . 5.270 4.654 4.276 4.966 . 0 0 "[ . 1 . 2]" 1
1341 2 50 ASP HB3 2 51 PRO HD2 . . 4.660 4.457 3.948 4.696 0.036 10 0 "[ . 1 . 2]" 1
1342 2 50 ASP HB3 2 51 PRO HD3 . . 5.040 4.794 4.298 5.040 . 0 0 "[ . 1 . 2]" 1
1343 2 51 PRO QB 2 53 ALA MB . . 4.850 3.421 2.565 4.432 . 0 0 "[ . 1 . 2]" 1
1344 2 51 PRO HB2 2 53 ALA MB . . 5.500 3.522 2.589 4.693 . 0 0 "[ . 1 . 2]" 1
1345 2 51 PRO HB3 2 53 ALA MB . . 5.500 4.789 4.157 5.445 . 0 0 "[ . 1 . 2]" 1
1346 2 51 PRO HD2 2 53 ALA MB . . 5.500 3.525 2.324 5.439 . 0 0 "[ . 1 . 2]" 1
1347 2 51 PRO HG2 2 53 ALA MB . . 4.650 3.095 2.078 3.866 . 0 0 "[ . 1 . 2]" 1
1348 2 51 PRO HG3 2 53 ALA MB . . 5.020 4.291 3.332 5.052 0.032 8 0 "[ . 1 . 2]" 1
1349 2 52 GLN H 2 52 GLN QB . . 3.550 3.337 2.949 3.412 . 0 0 "[ . 1 . 2]" 1
1350 2 52 GLN H 2 52 GLN QG . . 3.860 2.831 2.607 3.453 . 0 0 "[ . 1 . 2]" 1
1351 2 52 GLN HA 2 52 GLN QG . . 3.770 2.487 2.341 3.387 . 0 0 "[ . 1 . 2]" 1
1352 2 52 GLN HA 2 55 TRP HD1 . . 4.410 3.319 1.834 4.438 0.028 15 0 "[ . 1 . 2]" 1
1353 2 53 ALA MB 2 54 THR H . . 5.320 2.389 1.765 3.592 . 0 0 "[ . 1 . 2]" 1
1354 2 53 ALA MB 2 55 TRP H . . 5.220 4.324 3.798 5.103 . 0 0 "[ . 1 . 2]" 1
1355 2 53 ALA MB 2 55 TRP HD1 . . 4.900 4.470 3.075 4.972 0.072 12 0 "[ . 1 . 2]" 1
1356 2 54 THR HA 2 54 THR MG . . 3.530 2.396 2.245 3.226 . 0 0 "[ . 1 . 2]" 1
1357 2 54 THR HA 2 56 VAL H . . 4.940 4.163 3.190 4.996 0.056 9 0 "[ . 1 . 2]" 1
1358 2 55 TRP H 2 55 TRP QB . . 3.680 2.588 2.352 3.373 . 0 0 "[ . 1 . 2]" 1
1359 2 55 TRP H 2 55 TRP HD1 . . 4.460 2.776 1.915 4.034 . 0 0 "[ . 1 . 2]" 1
1360 2 55 TRP HA 2 55 TRP HD1 . . 4.420 3.987 2.632 4.464 0.044 8 0 "[ . 1 . 2]" 1
1361 2 55 TRP QB 2 55 TRP HD1 . . 3.460 2.733 2.537 3.191 . 0 0 "[ . 1 . 2]" 1
1362 2 55 TRP QB 2 56 VAL H . . 5.310 3.441 2.088 4.044 . 0 0 "[ . 1 . 2]" 1
1363 2 56 VAL H 2 56 VAL HB . . 3.710 3.397 2.516 3.773 0.063 18 0 "[ . 1 . 2]" 1
1364 2 56 VAL H 2 56 VAL QG . . 3.650 2.222 1.879 2.860 . 0 0 "[ . 1 . 2]" 1
1365 2 56 VAL H 2 57 ARG H . . 4.780 3.678 1.782 4.515 . 0 0 "[ . 1 . 2]" 1
1366 2 57 ARG H 2 57 ARG QG . . 4.690 3.604 2.132 4.520 . 0 0 "[ . 1 . 2]" 1
1367 2 57 ARG HA 2 57 ARG QD . . 4.760 3.786 2.089 4.492 . 0 0 "[ . 1 . 2]" 1
1368 2 57 ARG QB 2 57 ARG QD . . 3.120 2.251 2.057 2.381 . 0 0 "[ . 1 . 2]" 1
1369 2 58 ASP HA 2 60 VAL H . . 4.030 3.771 3.102 4.133 0.103 16 0 "[ . 1 . 2]" 1
1370 2 58 ASP QB 2 59 VAL H . . 5.060 3.291 2.063 4.005 . 0 0 "[ . 1 . 2]" 1
1371 2 59 VAL H 2 59 VAL HB . . 3.810 3.331 2.568 3.817 0.007 10 0 "[ . 1 . 2]" 1
1372 2 59 VAL H 2 59 VAL QG . . 3.720 2.364 1.899 3.238 . 0 0 "[ . 1 . 2]" 1
1373 2 60 VAL H 2 60 VAL HB . . 3.970 3.217 2.516 3.847 . 0 0 "[ . 1 . 2]" 1
1374 2 60 VAL H 2 60 VAL QG . . 3.520 2.362 1.888 2.855 . 0 0 "[ . 1 . 2]" 1
1375 2 61 ARG QB 2 62 SER HA . . 5.120 4.413 4.131 4.671 . 0 0 "[ . 1 . 2]" 1
1376 2 65 ARG HA 2 65 ARG QD . . 4.620 3.746 2.042 4.248 . 0 0 "[ . 1 . 2]" 1
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