NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
479066 |
2kn7   |
16449 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kn7
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 2899
_Distance_constraint_stats_list.Viol_count 5016
_Distance_constraint_stats_list.Viol_total 5144.766
_Distance_constraint_stats_list.Viol_max 0.315
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0513
_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 2 LYS 3.730 0.248 15 0 "[ . 1 . 2]"
1 3 TYR 4.194 0.239 15 0 "[ . 1 . 2]"
1 4 ASN 3.150 0.248 15 0 "[ . 1 . 2]"
1 5 PRO 3.309 0.113 17 0 "[ . 1 . 2]"
1 6 GLY 2.809 0.095 1 0 "[ . 1 . 2]"
1 7 PRO 0.686 0.063 1 0 "[ . 1 . 2]"
1 8 GLN 1.785 0.086 8 0 "[ . 1 . 2]"
1 9 ASP 4.401 0.130 17 0 "[ . 1 . 2]"
1 10 PHE 5.666 0.152 15 0 "[ . 1 . 2]"
1 11 LEU 1.644 0.091 1 0 "[ . 1 . 2]"
1 12 LEU 7.513 0.177 11 0 "[ . 1 . 2]"
1 13 LYS 1.392 0.107 6 0 "[ . 1 . 2]"
1 14 MET 1.762 0.075 6 0 "[ . 1 . 2]"
1 15 PRO 1.531 0.088 12 0 "[ . 1 . 2]"
1 16 GLY 1.818 0.088 12 0 "[ . 1 . 2]"
1 17 VAL 2.380 0.113 18 0 "[ . 1 . 2]"
1 18 ASN 10.324 0.185 11 0 "[ . 1 . 2]"
1 19 ALA 1.213 0.088 14 0 "[ . 1 . 2]"
1 20 LYS 6.236 0.185 11 0 "[ . 1 . 2]"
1 21 ASN 0.971 0.069 3 0 "[ . 1 . 2]"
1 22 CYS 3.271 0.134 14 0 "[ . 1 . 2]"
1 23 ARG 3.551 0.203 12 0 "[ . 1 . 2]"
1 24 SER 4.408 0.203 12 0 "[ . 1 . 2]"
1 25 LEU 3.535 0.105 13 0 "[ . 1 . 2]"
1 26 MET 9.083 0.168 20 0 "[ . 1 . 2]"
1 27 HIS 3.187 0.168 8 0 "[ . 1 . 2]"
1 28 HIS 1.919 0.201 13 0 "[ . 1 . 2]"
1 29 VAL 15.371 0.267 17 0 "[ . 1 . 2]"
1 30 LYS 9.935 0.245 4 0 "[ . 1 . 2]"
1 31 ASN 11.082 0.245 4 0 "[ . 1 . 2]"
1 32 ILE 6.440 0.126 10 0 "[ . 1 . 2]"
1 33 ALA 2.827 0.089 16 0 "[ . 1 . 2]"
1 34 GLU 9.156 0.267 17 0 "[ . 1 . 2]"
1 35 LEU 3.419 0.152 15 0 "[ . 1 . 2]"
1 36 ALA 1.174 0.090 14 0 "[ . 1 . 2]"
1 37 ALA 2.991 0.193 9 0 "[ . 1 . 2]"
1 38 LEU 1.427 0.098 17 0 "[ . 1 . 2]"
1 39 SER 2.976 0.183 19 0 "[ . 1 . 2]"
1 40 GLN 2.569 0.282 10 0 "[ . 1 . 2]"
1 41 ASP 2.213 0.282 10 0 "[ . 1 . 2]"
1 42 GLU 2.623 0.174 8 0 "[ . 1 . 2]"
1 43 LEU 10.202 0.183 19 0 "[ . 1 . 2]"
1 44 THR 4.813 0.128 8 0 "[ . 1 . 2]"
1 45 SER 4.440 0.129 5 0 "[ . 1 . 2]"
1 46 ILE 5.066 0.201 13 0 "[ . 1 . 2]"
1 47 LEU 6.258 0.151 10 0 "[ . 1 . 2]"
1 48 GLY 2.995 0.151 10 0 "[ . 1 . 2]"
1 49 ASN 5.448 0.128 8 0 "[ . 1 . 2]"
1 50 ALA 0.499 0.061 5 0 "[ . 1 . 2]"
1 51 ALA 4.693 0.088 4 0 "[ . 1 . 2]"
1 52 ASN 2.482 0.088 4 0 "[ . 1 . 2]"
1 53 ALA 3.744 0.108 7 0 "[ . 1 . 2]"
1 54 LYS 1.408 0.080 11 0 "[ . 1 . 2]"
1 55 GLN 1.697 0.093 17 0 "[ . 1 . 2]"
1 56 LEU 1.142 0.052 19 0 "[ . 1 . 2]"
1 57 TYR 0.533 0.061 6 0 "[ . 1 . 2]"
1 58 ASP 0.464 0.052 19 0 "[ . 1 . 2]"
1 59 PHE 0.233 0.042 6 0 "[ . 1 . 2]"
1 60 ILE 2.509 0.114 19 0 "[ . 1 . 2]"
1 61 HIS 2.330 0.114 19 0 "[ . 1 . 2]"
1 62 THR 1.617 0.099 12 0 "[ . 1 . 2]"
1 63 SER 0.047 0.024 13 0 "[ . 1 . 2]"
1 64 PHE 3.692 0.154 19 0 "[ . 1 . 2]"
1 65 ALA 4.763 0.315 15 0 "[ . 1 . 2]"
1 66 GLU 2.711 0.315 15 0 "[ . 1 . 2]"
2 2 LYS 1.974 0.147 18 0 "[ . 1 . 2]"
2 3 TYR 5.067 0.212 13 0 "[ . 1 . 2]"
2 4 ASN 4.203 0.227 15 0 "[ . 1 . 2]"
2 5 PRO 3.773 0.150 16 0 "[ . 1 . 2]"
2 6 GLY 3.145 0.150 16 0 "[ . 1 . 2]"
2 7 PRO 1.104 0.125 11 0 "[ . 1 . 2]"
2 8 GLN 2.644 0.141 18 0 "[ . 1 . 2]"
2 9 ASP 4.023 0.135 12 0 "[ . 1 . 2]"
2 10 PHE 5.286 0.143 20 0 "[ . 1 . 2]"
2 11 LEU 1.782 0.106 18 0 "[ . 1 . 2]"
2 12 LEU 8.106 0.181 20 0 "[ . 1 . 2]"
2 13 LYS 1.910 0.147 4 0 "[ . 1 . 2]"
2 14 MET 2.024 0.082 9 0 "[ . 1 . 2]"
2 15 PRO 1.040 0.082 9 0 "[ . 1 . 2]"
2 16 GLY 2.129 0.080 3 0 "[ . 1 . 2]"
2 17 VAL 2.052 0.119 1 0 "[ . 1 . 2]"
2 18 ASN 11.173 0.186 8 0 "[ . 1 . 2]"
2 19 ALA 1.491 0.119 13 0 "[ . 1 . 2]"
2 20 LYS 9.763 0.231 12 0 "[ . 1 . 2]"
2 21 ASN 1.419 0.080 8 0 "[ . 1 . 2]"
2 22 CYS 3.486 0.168 11 0 "[ . 1 . 2]"
2 23 ARG 1.403 0.124 18 0 "[ . 1 . 2]"
2 24 SER 3.987 0.195 5 0 "[ . 1 . 2]"
2 25 LEU 3.918 0.137 9 0 "[ . 1 . 2]"
2 26 MET 9.639 0.154 19 0 "[ . 1 . 2]"
2 27 HIS 3.068 0.195 5 0 "[ . 1 . 2]"
2 28 HIS 2.439 0.133 9 0 "[ . 1 . 2]"
2 29 VAL 13.519 0.234 20 0 "[ . 1 . 2]"
2 30 LYS 9.046 0.249 12 0 "[ . 1 . 2]"
2 31 ASN 8.687 0.249 12 0 "[ . 1 . 2]"
2 32 ILE 6.064 0.141 15 0 "[ . 1 . 2]"
2 33 ALA 3.208 0.229 6 0 "[ . 1 . 2]"
2 34 GLU 9.328 0.234 20 0 "[ . 1 . 2]"
2 35 LEU 3.255 0.143 20 0 "[ . 1 . 2]"
2 36 ALA 1.071 0.104 11 0 "[ . 1 . 2]"
2 37 ALA 2.819 0.181 19 0 "[ . 1 . 2]"
2 38 LEU 1.177 0.077 1 0 "[ . 1 . 2]"
2 39 SER 2.741 0.159 13 0 "[ . 1 . 2]"
2 40 GLN 1.561 0.122 18 0 "[ . 1 . 2]"
2 41 ASP 1.434 0.123 17 0 "[ . 1 . 2]"
2 42 GLU 2.857 0.142 15 0 "[ . 1 . 2]"
2 43 LEU 11.691 0.180 13 0 "[ . 1 . 2]"
2 44 THR 4.228 0.148 11 0 "[ . 1 . 2]"
2 45 SER 4.857 0.123 8 0 "[ . 1 . 2]"
2 46 ILE 4.111 0.147 8 0 "[ . 1 . 2]"
2 47 LEU 9.019 0.180 13 0 "[ . 1 . 2]"
2 48 GLY 2.588 0.135 11 0 "[ . 1 . 2]"
2 49 ASN 6.378 0.148 11 0 "[ . 1 . 2]"
2 50 ALA 0.567 0.064 7 0 "[ . 1 . 2]"
2 51 ALA 4.828 0.081 19 0 "[ . 1 . 2]"
2 52 ASN 2.585 0.081 19 0 "[ . 1 . 2]"
2 53 ALA 2.995 0.117 3 0 "[ . 1 . 2]"
2 54 LYS 1.282 0.117 3 0 "[ . 1 . 2]"
2 55 GLN 1.750 0.063 11 0 "[ . 1 . 2]"
2 56 LEU 0.571 0.056 4 0 "[ . 1 . 2]"
2 57 TYR 0.683 0.057 9 0 "[ . 1 . 2]"
2 58 ASP 0.463 0.056 4 0 "[ . 1 . 2]"
2 59 PHE 0.219 0.030 13 0 "[ . 1 . 2]"
2 60 ILE 2.348 0.126 9 0 "[ . 1 . 2]"
2 61 HIS 1.973 0.126 9 0 "[ . 1 . 2]"
2 62 THR 2.804 0.176 4 0 "[ . 1 . 2]"
2 63 SER 0.042 0.024 19 0 "[ . 1 . 2]"
2 64 PHE 3.381 0.101 16 0 "[ . 1 . 2]"
2 65 ALA 2.545 0.179 6 0 "[ . 1 . 2]"
2 66 GLU 3.153 0.287 9 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 50 ALA H 1 50 ALA MB 3.340 . 3.340 2.212 2.181 2.240 . 0 0 "[ . 1 . 2]" 1
2 1 43 LEU HG 1 57 TYR H 4.010 . 4.010 3.261 3.118 3.370 . 0 0 "[ . 1 . 2]" 1
3 1 47 LEU H 1 47 LEU MD2 3.720 . 3.720 3.068 2.883 3.257 . 0 0 "[ . 1 . 2]" 1
4 1 47 LEU H 1 47 LEU MD1 3.720 . 3.720 3.655 3.567 3.724 0.004 19 0 "[ . 1 . 2]" 1
5 1 29 VAL MG1 1 30 LYS H 4.140 . 4.140 3.910 3.861 3.990 . 0 0 "[ . 1 . 2]" 1
6 1 19 ALA H 1 19 ALA MB 2.980 . 2.980 2.238 2.223 2.250 . 0 0 "[ . 1 . 2]" 1
7 1 33 ALA MB 1 34 GLU H 3.090 . 3.090 2.301 2.260 2.347 . 0 0 "[ . 1 . 2]" 1
8 1 34 GLU H 1 34 GLU HG3 3.770 . 3.770 3.849 3.797 3.896 0.126 3 0 "[ . 1 . 2]" 1
9 1 43 LEU H 1 43 LEU HG 4.170 . 4.170 4.238 4.204 4.266 0.096 13 0 "[ . 1 . 2]" 1
10 1 29 VAL H 1 29 VAL MG1 3.440 . 3.440 2.771 2.619 2.864 . 0 0 "[ . 1 . 2]" 1
11 1 29 VAL H 1 29 VAL MG2 2.910 . 2.910 2.199 2.111 2.282 . 0 0 "[ . 1 . 2]" 1
12 1 65 ALA H 1 65 ALA MB 2.940 . 2.940 2.600 2.405 2.784 . 0 0 "[ . 1 . 2]" 1
13 1 20 LYS H 1 20 LYS HD2 3.720 . 3.720 3.139 2.680 3.415 . 0 0 "[ . 1 . 2]" 1
14 1 11 LEU H 1 11 LEU MD2 4.250 . 4.250 3.166 3.017 3.382 . 0 0 "[ . 1 . 2]" 1
15 1 23 ARG HA 1 26 MET H 4.220 . 4.220 4.024 3.817 4.205 . 0 0 "[ . 1 . 2]" 1
16 1 60 ILE H 1 60 ILE MG 3.780 . 3.780 3.765 3.743 3.778 . 0 0 "[ . 1 . 2]" 1
17 1 60 ILE H 1 60 ILE MD 3.740 . 3.740 3.354 3.264 3.423 . 0 0 "[ . 1 . 2]" 1
18 1 35 LEU H 1 35 LEU MD1 4.790 . 4.790 4.270 4.238 4.308 . 0 0 "[ . 1 . 2]" 1
19 1 35 LEU H 1 35 LEU MD2 4.790 . 4.790 4.152 4.109 4.185 . 0 0 "[ . 1 . 2]" 1
20 1 29 VAL MG1 1 35 LEU H 3.890 . 3.890 3.466 3.404 3.549 . 0 0 "[ . 1 . 2]" 1
21 1 56 LEU MD1 1 60 ILE H 4.400 . 4.400 3.909 3.598 4.391 . 0 0 "[ . 1 . 2]" 1
22 1 46 ILE H 1 46 ILE MD 3.530 . 3.530 3.224 3.044 3.404 . 0 0 "[ . 1 . 2]" 1
23 1 46 ILE H 1 46 ILE HG13 3.820 . 3.820 2.339 2.155 2.478 . 0 0 "[ . 1 . 2]" 1
24 1 25 LEU H 1 46 ILE MG 3.550 . 3.550 3.312 3.180 3.478 . 0 0 "[ . 1 . 2]" 1
25 1 21 ASN HD22 1 47 LEU MD2 4.490 . 4.490 2.782 2.638 2.930 . 0 0 "[ . 1 . 2]" 1
26 1 21 ASN HD21 1 47 LEU MD2 4.490 . 4.490 1.912 1.713 2.555 . 0 0 "[ . 1 . 2]" 1
27 1 21 ASN HD21 1 47 LEU MD1 4.490 . 4.490 2.561 2.005 3.537 . 0 0 "[ . 1 . 2]" 1
28 1 17 VAL H 1 17 VAL QG . . 3.080 2.753 2.250 2.892 . 0 0 "[ . 1 . 2]" 1
29 1 12 LEU H 1 12 LEU MD2 3.460 . 3.460 3.250 2.921 3.434 . 0 0 "[ . 1 . 2]" 1
30 1 33 ALA H 2 60 ILE MG 3.490 . 3.490 3.174 2.999 3.391 . 0 0 "[ . 1 . 2]" 1
31 1 32 ILE MG 1 33 ALA H 3.740 . 3.740 3.797 3.768 3.829 0.089 16 0 "[ . 1 . 2]" 1
32 1 12 LEU H 1 12 LEU HB2 3.800 . 3.800 2.723 2.638 2.773 . 0 0 "[ . 1 . 2]" 1
33 1 38 LEU H 1 38 LEU QD 3.370 . 3.370 3.029 2.923 3.110 . 0 0 "[ . 1 . 2]" 1
34 1 10 PHE HA 1 10 PHE QD 3.850 . 3.850 2.465 2.287 2.697 . 0 0 "[ . 1 . 2]" 1
35 1 10 PHE QD 1 32 ILE MD 3.650 . 3.650 2.332 2.131 2.522 . 0 0 "[ . 1 . 2]" 1
36 1 31 ASN HD21 2 63 SER HB3 4.890 . 4.890 3.668 3.304 4.235 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLN HE21 1 26 MET ME 4.050 . 4.050 3.861 3.605 4.092 0.042 19 0 "[ . 1 . 2]" 1
38 1 59 PHE QD 2 32 ILE MD 3.620 . 3.620 3.464 3.228 3.619 . 0 0 "[ . 1 . 2]" 1
39 1 64 PHE HA 1 64 PHE QD 3.590 . 3.590 2.676 2.486 2.868 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR QD 2 65 ALA MB 3.810 . 3.810 2.844 2.588 3.149 . 0 0 "[ . 1 . 2]" 1
41 1 43 LEU HG 1 57 TYR QD 4.430 . 4.430 4.352 4.057 4.480 0.050 3 0 "[ . 1 . 2]" 1
42 1 3 TYR HA 1 3 TYR QD 3.390 . 3.390 2.815 2.550 3.015 . 0 0 "[ . 1 . 2]" 1
43 1 64 PHE QE 2 32 ILE MD 3.800 . 3.800 3.313 3.140 3.422 . 0 0 "[ . 1 . 2]" 1
44 1 59 PHE QE 2 32 ILE MD 3.500 . 3.500 2.605 2.268 2.772 . 0 0 "[ . 1 . 2]" 1
45 1 4 ASN HA 1 5 PRO HD2 3.240 . 3.240 2.235 2.138 2.381 . 0 0 "[ . 1 . 2]" 1
46 1 29 VAL HA 1 29 VAL MG1 2.950 . 2.950 2.410 2.332 2.457 . 0 0 "[ . 1 . 2]" 1
47 1 38 LEU HA 1 38 LEU QD 2.820 . 2.820 2.006 1.928 2.072 . 0 0 "[ . 1 . 2]" 1
48 1 9 ASP HA 1 12 LEU MD1 3.370 . 3.370 2.470 2.148 2.784 . 0 0 "[ . 1 . 2]" 1
49 1 26 MET HA 1 26 MET ME 4.160 . 4.160 4.026 3.959 4.091 . 0 0 "[ . 1 . 2]" 1
50 1 56 LEU HA 1 56 LEU MD1 3.130 . 3.130 2.123 2.043 2.206 . 0 0 "[ . 1 . 2]" 1
51 1 13 LYS HA 1 13 LYS HG2 3.960 . 3.960 2.987 2.736 3.276 . 0 0 "[ . 1 . 2]" 1
52 1 13 LYS HA 1 13 LYS HG3 3.960 . 3.960 3.713 3.618 3.780 . 0 0 "[ . 1 . 2]" 1
53 1 17 VAL HA 1 17 VAL QG . . 2.830 2.173 2.138 2.282 . 0 0 "[ . 1 . 2]" 1
54 1 50 ALA HA 1 53 ALA MB 3.120 . 3.120 2.401 2.299 2.486 . 0 0 "[ . 1 . 2]" 1
55 1 47 LEU HA 1 47 LEU MD2 4.020 . 4.020 2.072 2.017 2.144 . 0 0 "[ . 1 . 2]" 1
56 1 47 LEU HA 1 47 LEU MD1 4.020 . 4.020 3.840 3.796 3.875 . 0 0 "[ . 1 . 2]" 1
57 1 62 THR HA 1 62 THR MG 3.220 . 3.220 2.493 2.443 2.534 . 0 0 "[ . 1 . 2]" 1
58 1 12 LEU MD2 1 19 ALA HA 3.280 . 3.280 2.320 2.134 2.511 . 0 0 "[ . 1 . 2]" 1
59 1 29 VAL MG1 1 35 LEU HA 3.040 . 3.040 2.110 1.973 2.243 . 0 0 "[ . 1 . 2]" 1
60 1 34 GLU HA 1 34 GLU HG3 3.760 . 3.760 3.639 3.619 3.678 . 0 0 "[ . 1 . 2]" 1
61 1 35 LEU HA 1 38 LEU QD 3.750 . 3.750 2.826 2.694 3.008 . 0 0 "[ . 1 . 2]" 1
62 1 38 LEU QD 1 43 LEU HA 4.030 . 4.030 3.183 3.071 3.280 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU HA 1 11 LEU MD2 4.020 . 4.020 2.189 2.041 2.364 . 0 0 "[ . 1 . 2]" 1
64 1 43 LEU HA 1 43 LEU MD2 3.110 . 3.110 3.107 2.961 3.201 0.091 5 0 "[ . 1 . 2]" 1
65 1 29 VAL MG2 1 35 LEU HA 3.220 . 3.220 2.836 2.637 2.975 . 0 0 "[ . 1 . 2]" 1
66 1 25 LEU HA 1 46 ILE MG 2.970 . 2.970 2.117 1.873 2.336 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLN HA 1 26 MET ME 3.270 . 3.270 2.728 2.495 2.975 . 0 0 "[ . 1 . 2]" 1
68 1 23 ARG HA 1 26 MET ME 3.560 . 3.560 3.379 2.969 3.592 0.032 2 0 "[ . 1 . 2]" 1
69 1 36 ALA HA 1 60 ILE MG 3.220 . 3.220 2.260 2.094 2.464 . 0 0 "[ . 1 . 2]" 1
70 1 12 LEU HA 1 12 LEU MD2 2.840 . 2.840 2.354 2.211 2.462 . 0 0 "[ . 1 . 2]" 1
71 1 43 LEU HG 1 53 ALA HA 3.680 . 3.680 2.831 2.698 3.041 . 0 0 "[ . 1 . 2]" 1
72 1 43 LEU HG 1 57 TYR HA 4.180 . 4.180 4.142 3.980 4.216 0.036 11 0 "[ . 1 . 2]" 1
73 1 33 ALA HA 2 60 ILE MG 3.680 . 3.680 3.130 2.878 3.371 . 0 0 "[ . 1 . 2]" 1
74 1 14 MET HA 1 15 PRO HD2 3.700 . 3.700 2.505 2.345 2.704 . 0 0 "[ . 1 . 2]" 1
75 1 32 ILE HA 1 32 ILE MG 3.320 . 3.320 2.299 2.270 2.334 . 0 0 "[ . 1 . 2]" 1
76 1 40 GLN HA 1 53 ALA MB 3.630 . 3.630 3.518 3.225 3.650 0.020 8 0 "[ . 1 . 2]" 1
77 1 47 LEU MD2 1 52 ASN HB3 3.970 . 3.970 3.641 3.418 3.857 . 0 0 "[ . 1 . 2]" 1
78 1 52 ASN HB3 1 53 ALA MB 4.420 . 4.420 4.395 4.242 4.448 0.028 4 0 "[ . 1 . 2]" 1
79 1 60 ILE HA 1 60 ILE MG 3.540 . 3.540 2.487 2.389 2.602 . 0 0 "[ . 1 . 2]" 1
80 1 60 ILE HA 1 60 ILE MD 3.910 . 3.910 3.859 3.805 3.907 . 0 0 "[ . 1 . 2]" 1
81 1 28 HIS HB2 1 29 VAL MG1 4.120 . 4.120 3.925 3.211 4.171 0.051 12 0 "[ . 1 . 2]" 1
82 1 56 LEU MD1 1 59 PHE HB3 4.390 . 4.390 3.399 3.189 3.794 . 0 0 "[ . 1 . 2]" 1
83 1 47 LEU MD1 1 52 ASN HB3 3.970 . 3.970 2.131 2.035 2.273 . 0 0 "[ . 1 . 2]" 1
84 1 15 PRO HG3 1 59 PHE HB2 3.580 . 3.580 2.868 2.324 3.240 . 0 0 "[ . 1 . 2]" 1
85 1 18 ASN HB3 1 20 LYS HD2 3.660 . 3.660 3.747 3.661 3.819 0.159 20 0 "[ . 1 . 2]" 1
86 1 12 LEU MD2 1 22 CYS HB2 3.190 . 3.190 2.013 1.937 2.100 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU MD1 1 22 CYS HB2 4.120 . 4.120 4.045 3.952 4.161 0.041 9 0 "[ . 1 . 2]" 1
88 1 28 HIS HB3 1 46 ILE MG 4.110 . 4.110 2.613 2.255 2.948 . 0 0 "[ . 1 . 2]" 1
89 1 28 HIS HB3 1 46 ILE MD 3.790 . 3.790 2.643 2.313 3.060 . 0 0 "[ . 1 . 2]" 1
90 1 18 ASN HB2 1 20 LYS HD2 3.540 . 3.540 2.849 2.736 3.029 . 0 0 "[ . 1 . 2]" 1
91 1 18 ASN HB2 1 20 LYS HG2 4.380 . 4.380 1.906 1.812 2.073 . 0 0 "[ . 1 . 2]" 1
92 1 18 ASN HB2 1 20 LYS HG3 4.160 . 4.160 3.533 3.417 3.694 . 0 0 "[ . 1 . 2]" 1
93 1 18 ASN HB2 1 19 ALA MB 4.210 . 4.210 4.038 3.977 4.117 . 0 0 "[ . 1 . 2]" 1
94 1 12 LEU MD1 1 22 CYS HB3 4.120 . 4.120 4.215 4.162 4.254 0.134 14 0 "[ . 1 . 2]" 1
95 1 12 LEU MD2 1 22 CYS HB3 3.190 . 3.190 2.811 2.614 2.993 . 0 0 "[ . 1 . 2]" 1
96 1 22 CYS HB3 1 26 MET ME 4.580 . 4.580 3.365 3.147 3.678 . 0 0 "[ . 1 . 2]" 1
97 1 15 PRO HD2 1 56 LEU MD1 3.900 . 3.900 3.777 3.615 3.910 0.010 17 0 "[ . 1 . 2]" 1
98 1 15 PRO HB2 1 55 GLN HG2 3.780 . 3.780 3.466 2.762 3.791 0.011 3 0 "[ . 1 . 2]" 1
99 1 7 PRO HB2 1 31 ASN HB2 3.930 . 3.930 3.953 3.792 3.993 0.063 1 0 "[ . 1 . 2]" 1
100 1 7 PRO HB3 1 31 ASN HB2 4.160 . 4.160 3.689 3.456 3.991 . 0 0 "[ . 1 . 2]" 1
101 1 26 MET ME 1 26 MET HG2 3.380 . 3.380 2.465 2.390 2.514 . 0 0 "[ . 1 . 2]" 1
102 1 8 GLN HG2 1 26 MET ME 3.560 . 3.560 2.137 1.980 2.308 . 0 0 "[ . 1 . 2]" 1
103 1 8 GLN HG3 1 26 MET ME 4.100 . 4.100 2.314 2.185 2.502 . 0 0 "[ . 1 . 2]" 1
104 1 51 ALA MB 1 52 ASN HB2 4.050 . 4.050 4.060 3.920 4.095 0.045 2 0 "[ . 1 . 2]" 1
105 1 29 VAL MG2 1 35 LEU HB2 3.500 . 3.500 2.461 2.301 2.583 . 0 0 "[ . 1 . 2]" 1
106 1 66 GLU HA 1 66 GLU HG2 3.860 . 3.860 3.007 2.316 3.774 . 0 0 "[ . 1 . 2]" 1
107 1 66 GLU HA 1 66 GLU HG3 3.860 . 3.860 2.779 2.281 3.787 . 0 0 "[ . 1 . 2]" 1
108 1 34 GLU HB3 1 37 ALA MB 4.030 . 4.030 3.603 3.551 3.685 . 0 0 "[ . 1 . 2]" 1
109 1 37 ALA MB 1 38 LEU HG 4.430 . 4.430 3.849 3.651 3.910 . 0 0 "[ . 1 . 2]" 1
110 1 43 LEU HB2 1 53 ALA MB 3.250 . 3.250 2.353 2.295 2.426 . 0 0 "[ . 1 . 2]" 1
111 1 38 LEU QD 1 42 GLU HB3 3.090 . 3.090 2.226 1.995 2.509 . 0 0 "[ . 1 . 2]" 1
112 1 51 ALA HA 1 54 LYS HB3 3.820 . 3.820 3.090 2.849 3.357 . 0 0 "[ . 1 . 2]" 1
113 1 56 LEU HB2 1 56 LEU MD1 2.930 . 2.930 2.426 2.376 2.501 . 0 0 "[ . 1 . 2]" 1
114 1 29 VAL MG2 1 34 GLU HB2 3.470 . 3.470 3.348 3.215 3.464 . 0 0 "[ . 1 . 2]" 1
115 1 7 PRO HB2 1 32 ILE MD 3.460 . 3.460 3.206 3.004 3.337 . 0 0 "[ . 1 . 2]" 1
116 1 7 PRO HB3 1 32 ILE MD 3.610 . 3.610 2.565 2.326 2.687 . 0 0 "[ . 1 . 2]" 1
117 1 34 GLU HB2 1 37 ALA MB 4.560 . 4.560 4.398 4.344 4.442 . 0 0 "[ . 1 . 2]" 1
118 1 60 ILE HB 1 60 ILE MD 3.090 . 3.090 2.319 2.222 2.368 . 0 0 "[ . 1 . 2]" 1
119 1 32 ILE HB 2 60 ILE HA 3.780 . 3.780 2.254 2.075 2.501 . 0 0 "[ . 1 . 2]" 1
120 1 7 PRO HB3 2 62 THR MG 4.040 . 4.040 3.756 3.268 4.027 . 0 0 "[ . 1 . 2]" 1
121 1 60 ILE HG12 1 60 ILE MG 3.350 . 3.350 2.262 2.196 2.309 . 0 0 "[ . 1 . 2]" 1
122 1 20 LYS HB3 1 20 LYS HD2 2.400 . 2.400 2.400 2.272 2.474 0.074 4 0 "[ . 1 . 2]" 1
123 1 43 LEU HG 1 56 LEU HB3 3.730 . 3.730 2.654 2.499 2.824 . 0 0 "[ . 1 . 2]" 1
124 1 46 ILE MG 1 47 LEU HG 3.750 . 3.750 3.773 3.507 3.843 0.093 18 0 "[ . 1 . 2]" 1
125 1 12 LEU HB2 1 12 LEU MD1 2.840 . 2.840 2.276 2.218 2.369 . 0 0 "[ . 1 . 2]" 1
126 1 40 GLN HA 1 40 GLN HG3 3.800 . 3.800 3.489 2.947 3.563 . 0 0 "[ . 1 . 2]" 1
127 1 22 CYS HA 1 25 LEU HB2 4.310 . 4.310 3.044 2.851 3.396 . 0 0 "[ . 1 . 2]" 1
128 1 46 ILE HA 1 46 ILE HG13 3.710 . 3.710 2.777 2.723 2.849 . 0 0 "[ . 1 . 2]" 1
129 1 25 LEU HB3 1 26 MET ME 3.980 . 3.980 4.019 3.979 4.059 0.079 12 0 "[ . 1 . 2]" 1
130 1 12 LEU HB3 1 12 LEU MD1 2.860 . 2.860 2.508 2.368 2.578 . 0 0 "[ . 1 . 2]" 1
131 1 20 LYS HD2 1 20 LYS HG2 2.730 . 2.730 2.412 2.366 2.499 . 0 0 "[ . 1 . 2]" 1
132 1 43 LEU HG 1 53 ALA MB 3.910 . 3.910 3.608 3.460 3.811 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU HB3 1 25 LEU MD2 3.150 . 3.150 2.071 1.973 2.256 . 0 0 "[ . 1 . 2]" 1
134 1 8 GLN HA 1 11 LEU HG 4.060 . 4.060 2.926 2.791 3.144 . 0 0 "[ . 1 . 2]" 1
135 1 53 ALA MB 1 54 LYS HA 4.390 . 4.390 3.767 3.745 3.799 . 0 0 "[ . 1 . 2]" 1
136 1 65 ALA MB 1 66 GLU HA 4.390 . 4.390 4.225 3.908 4.385 . 0 0 "[ . 1 . 2]" 1
137 1 36 ALA MB 1 60 ILE MG 3.190 . 3.190 2.372 2.146 2.520 . 0 0 "[ . 1 . 2]" 1
138 1 36 ALA MB 2 33 ALA MB 3.540 . 3.540 3.417 3.258 3.578 0.038 20 0 "[ . 1 . 2]" 1
139 1 36 ALA MB 1 60 ILE MD 3.780 . 3.780 3.736 3.544 3.845 0.065 4 0 "[ . 1 . 2]" 1
140 1 44 THR MG 1 53 ALA MB 3.200 . 3.200 2.007 1.942 2.139 . 0 0 "[ . 1 . 2]" 1
141 1 44 THR MG 1 50 ALA MB 3.170 . 3.170 2.682 2.519 2.786 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU MD1 1 19 ALA MB 3.620 . 3.620 3.429 2.984 3.636 0.016 10 0 "[ . 1 . 2]" 1
143 1 37 ALA MB 1 38 LEU QD 3.490 . 3.490 3.411 3.333 3.476 . 0 0 "[ . 1 . 2]" 1
144 1 32 ILE MG 2 60 ILE HA 3.710 . 3.710 3.114 2.842 3.416 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU MD2 1 22 CYS HA 4.060 . 4.060 3.816 3.703 3.908 . 0 0 "[ . 1 . 2]" 1
146 1 32 ILE MG 2 36 ALA MB 2.950 . 2.950 2.324 2.049 2.551 . 0 0 "[ . 1 . 2]" 1
147 1 60 ILE MD 1 60 ILE MG 2.720 . 2.720 2.080 2.000 2.227 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU MD2 1 26 MET ME 4.840 . 4.840 4.155 3.967 4.260 . 0 0 "[ . 1 . 2]" 1
149 1 25 LEU MD2 1 26 MET ME 5.240 . 5.240 4.501 4.250 4.633 . 0 0 "[ . 1 . 2]" 1
150 1 25 LEU HB2 1 25 LEU MD2 3.190 . 3.190 2.354 2.295 2.399 . 0 0 "[ . 1 . 2]" 1
151 1 25 LEU HB3 1 25 LEU MD2 3.400 . 3.400 2.337 2.291 2.395 . 0 0 "[ . 1 . 2]" 1
152 1 60 ILE MG 2 33 ALA MB 2.990 . 2.990 2.640 2.492 2.766 . 0 0 "[ . 1 . 2]" 1
153 1 60 ILE MG 2 32 ILE MG 3.590 . 3.590 2.969 2.611 3.270 . 0 0 "[ . 1 . 2]" 1
154 1 46 ILE HG12 1 46 ILE MG 3.470 . 3.470 2.238 2.158 2.281 . 0 0 "[ . 1 . 2]" 1
155 1 7 PRO HA 1 10 PHE QD 4.320 . 4.320 3.848 3.717 3.972 . 0 0 "[ . 1 . 2]" 1
156 1 59 PHE QE 2 7 PRO HA 4.570 . 4.570 3.037 2.797 3.301 . 0 0 "[ . 1 . 2]" 1
157 1 64 PHE HZ 2 32 ILE HA 4.650 . 4.650 4.265 4.098 4.364 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLY HA3 1 55 GLN HB2 4.260 . 4.260 2.193 2.023 2.541 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLY HA3 1 55 GLN HB3 4.230 . 4.230 2.248 2.102 2.533 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLY HA2 1 55 GLN HB2 4.260 . 4.260 2.877 2.586 3.015 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU HA 1 11 LEU MD1 4.020 . 4.020 3.928 3.861 3.987 . 0 0 "[ . 1 . 2]" 1
162 1 42 GLU H 1 43 LEU HA 5.500 . 5.500 5.193 5.109 5.248 . 0 0 "[ . 1 . 2]" 1
163 1 43 LEU HA 1 48 GLY H 5.500 . 5.500 5.522 5.459 5.556 0.056 14 0 "[ . 1 . 2]" 1
164 1 11 LEU HA 1 14 MET H 4.450 . 4.450 4.196 3.970 4.448 . 0 0 "[ . 1 . 2]" 1
165 1 29 VAL HB 1 35 LEU HA 3.850 . 3.850 3.394 3.220 3.533 . 0 0 "[ . 1 . 2]" 1
166 1 35 LEU HA 1 38 LEU HG 4.250 . 4.250 2.848 2.700 3.055 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU HA 1 14 MET HG2 4.100 . 4.100 3.510 3.289 3.722 . 0 0 "[ . 1 . 2]" 1
168 1 35 LEU HA 1 37 ALA H 4.210 . 4.210 4.027 3.973 4.070 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU HB2 1 12 LEU HG 3.610 . 3.610 2.789 2.668 2.934 . 0 0 "[ . 1 . 2]" 1
170 1 35 LEU HG 1 36 ALA HA 4.530 . 4.530 3.267 3.159 3.382 . 0 0 "[ . 1 . 2]" 1
171 1 32 ILE HA 1 35 LEU HG 4.000 . 4.000 4.036 4.010 4.067 0.067 19 0 "[ . 1 . 2]" 1
172 1 35 LEU H 1 35 LEU HG 4.370 . 4.370 4.295 4.256 4.329 . 0 0 "[ . 1 . 2]" 1
173 1 35 LEU HG 1 36 ALA H 4.160 . 4.160 3.106 2.980 3.254 . 0 0 "[ . 1 . 2]" 1
174 1 35 LEU HG 1 60 ILE HG12 4.210 . 4.210 3.533 3.350 3.737 . 0 0 "[ . 1 . 2]" 1
175 1 35 LEU HB3 1 35 LEU HG 2.920 . 2.920 2.529 2.507 2.559 . 0 0 "[ . 1 . 2]" 1
176 1 22 CYS HB2 1 26 MET ME 4.580 . 4.580 4.188 4.071 4.347 . 0 0 "[ . 1 . 2]" 1
177 1 44 THR HB 1 53 ALA MB 4.110 . 4.110 4.112 3.994 4.148 0.038 15 0 "[ . 1 . 2]" 1
178 1 44 THR MG 1 50 ALA HA 2.870 . 2.870 1.927 1.796 2.013 . 0 0 "[ . 1 . 2]" 1
179 1 44 THR HA 1 44 THR MG 2.960 . 2.960 2.139 2.102 2.180 . 0 0 "[ . 1 . 2]" 1
180 1 44 THR H 1 44 THR MG 3.260 . 3.260 2.948 2.780 3.180 . 0 0 "[ . 1 . 2]" 1
181 1 44 THR MG 1 53 ALA H 3.920 . 3.920 3.812 3.695 3.889 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASP H 1 10 PHE HA 5.430 . 5.430 5.055 5.010 5.120 . 0 0 "[ . 1 . 2]" 1
183 1 10 PHE HA 1 13 LYS HB2 4.390 . 4.390 2.781 2.396 3.130 . 0 0 "[ . 1 . 2]" 1
184 1 59 PHE HZ 2 10 PHE HB2 4.440 . 4.440 3.822 3.251 4.223 . 0 0 "[ . 1 . 2]" 1
185 1 15 PRO HD3 1 59 PHE HB2 4.040 . 4.040 3.135 2.715 3.531 . 0 0 "[ . 1 . 2]" 1
186 1 58 ASP HB3 1 59 PHE HB2 4.600 . 4.600 3.950 3.793 4.090 . 0 0 "[ . 1 . 2]" 1
187 1 55 GLN H 1 55 GLN HB3 3.780 . 3.780 3.526 3.465 3.566 . 0 0 "[ . 1 . 2]" 1
188 1 65 ALA MB 2 3 TYR HA 4.540 . 4.540 2.620 2.155 3.527 . 0 0 "[ . 1 . 2]" 1
189 1 27 HIS HA 1 29 VAL H 4.940 . 4.940 4.114 3.992 4.385 . 0 0 "[ . 1 . 2]" 1
190 1 65 ALA HA 2 3 TYR QE 4.980 . 4.980 5.054 4.722 5.192 0.212 13 0 "[ . 1 . 2]" 1
191 1 38 LEU HA 1 38 LEU HG 3.910 . 3.910 3.167 3.123 3.208 . 0 0 "[ . 1 . 2]" 1
192 1 38 LEU HA 1 42 GLU H 5.500 . 5.500 5.342 5.093 5.526 0.026 13 0 "[ . 1 . 2]" 1
193 1 38 LEU HA 1 42 GLU HB3 4.250 . 4.250 3.617 3.306 3.870 . 0 0 "[ . 1 . 2]" 1
194 1 59 PHE QE 2 10 PHE HB3 5.500 . 5.500 4.196 3.714 4.465 . 0 0 "[ . 1 . 2]" 1
195 1 57 TYR HA 1 60 ILE HB 3.980 . 3.980 2.616 2.255 3.164 . 0 0 "[ . 1 . 2]" 1
196 1 5 PRO HA 1 9 ASP HB3 4.250 . 4.250 4.098 3.725 4.276 0.026 10 0 "[ . 1 . 2]" 1
197 1 7 PRO HA 1 10 PHE HB3 4.140 . 4.140 3.368 3.187 3.577 . 0 0 "[ . 1 . 2]" 1
198 1 7 PRO HA 1 10 PHE HB2 4.400 . 4.400 2.144 2.056 2.268 . 0 0 "[ . 1 . 2]" 1
199 1 7 PRO HA 1 10 PHE H 4.610 . 4.610 3.377 3.294 3.497 . 0 0 "[ . 1 . 2]" 1
200 1 29 VAL HB 1 31 ASN H 3.980 . 3.980 3.068 2.968 3.208 . 0 0 "[ . 1 . 2]" 1
201 1 56 LEU MD1 1 59 PHE QD 5.200 . 5.200 4.488 4.160 4.945 . 0 0 "[ . 1 . 2]" 1
202 1 28 HIS HB3 1 29 VAL MG1 4.120 . 4.120 2.607 2.360 2.766 . 0 0 "[ . 1 . 2]" 1
203 1 29 VAL MG2 1 31 ASN HA 3.580 . 3.580 3.011 2.923 3.075 . 0 0 "[ . 1 . 2]" 1
204 1 29 VAL HA 1 29 VAL MG2 3.300 . 3.300 3.222 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
205 1 31 ASN HA 2 63 SER HA 4.530 . 4.530 3.860 3.462 4.212 . 0 0 "[ . 1 . 2]" 1
206 1 31 ASN HD22 2 63 SER HA 4.410 . 4.410 3.896 3.688 4.174 . 0 0 "[ . 1 . 2]" 1
207 1 30 LYS HA 1 31 ASN HD22 5.290 . 5.290 4.811 4.703 4.925 . 0 0 "[ . 1 . 2]" 1
208 1 64 PHE QD 2 30 LYS HA 5.500 . 5.500 4.699 4.405 4.964 . 0 0 "[ . 1 . 2]" 1
209 1 31 ASN HB3 2 63 SER HA 4.160 . 4.160 2.126 1.756 2.528 . 0 0 "[ . 1 . 2]" 1
210 1 31 ASN HB2 2 63 SER HA 4.500 . 4.500 3.794 3.442 4.227 . 0 0 "[ . 1 . 2]" 1
211 1 64 PHE QE 2 7 PRO HB2 3.910 . 3.910 2.658 2.446 2.967 . 0 0 "[ . 1 . 2]" 1
212 1 62 THR MG 2 7 PRO HD2 4.210 . 4.210 3.320 3.084 3.710 . 0 0 "[ . 1 . 2]" 1
213 1 6 GLY HA3 1 7 PRO HD3 3.930 . 3.930 2.419 2.351 2.463 . 0 0 "[ . 1 . 2]" 1
214 1 57 TYR QD 1 58 ASP HA 4.680 . 4.680 3.889 3.392 4.329 . 0 0 "[ . 1 . 2]" 1
215 1 8 GLN HE22 1 9 ASP HB2 4.240 . 4.240 3.759 3.507 4.070 . 0 0 "[ . 1 . 2]" 1
216 1 8 GLN HE22 1 9 ASP HB3 5.500 . 5.500 5.222 5.019 5.486 . 0 0 "[ . 1 . 2]" 1
217 1 5 PRO HA 1 9 ASP HB2 3.870 . 3.870 2.744 2.440 3.017 . 0 0 "[ . 1 . 2]" 1
218 1 59 PHE HA 1 61 HIS H 4.660 . 4.660 4.028 3.903 4.155 . 0 0 "[ . 1 . 2]" 1
219 1 62 THR H 1 62 THR MG 3.990 . 3.990 3.766 3.736 3.777 . 0 0 "[ . 1 . 2]" 1
220 1 62 THR MG 1 64 PHE H 5.070 . 5.070 4.700 4.479 4.835 . 0 0 "[ . 1 . 2]" 1
221 1 62 THR MG 1 63 SER HA 4.500 . 4.500 4.143 3.998 4.297 . 0 0 "[ . 1 . 2]" 1
222 1 64 PHE HA 1 65 ALA MB 5.030 . 5.030 4.631 4.409 4.860 . 0 0 "[ . 1 . 2]" 1
223 1 56 LEU H 1 57 TYR HB2 5.500 . 5.500 4.995 4.866 5.167 . 0 0 "[ . 1 . 2]" 1
224 1 56 LEU H 1 57 TYR HB3 5.500 . 5.500 4.883 4.767 5.084 . 0 0 "[ . 1 . 2]" 1
225 1 10 PHE HB2 1 11 LEU HG 4.840 . 4.840 4.150 3.868 4.300 . 0 0 "[ . 1 . 2]" 1
226 1 14 MET HB3 1 59 PHE HB2 5.290 . 5.290 3.982 3.548 4.378 . 0 0 "[ . 1 . 2]" 1
227 1 14 MET HB3 1 59 PHE HB3 5.500 . 5.500 3.677 3.487 3.941 . 0 0 "[ . 1 . 2]" 1
228 1 10 PHE HB2 1 32 ILE MG 5.390 . 5.390 5.341 5.201 5.411 0.021 5 0 "[ . 1 . 2]" 1
229 1 31 ASN HD22 2 61 HIS HA 3.840 . 3.840 2.979 2.728 3.308 . 0 0 "[ . 1 . 2]" 1
230 1 31 ASN HD21 2 61 HIS HA 4.710 . 4.710 4.125 3.762 4.461 . 0 0 "[ . 1 . 2]" 1
231 1 32 ILE MD 2 60 ILE HA 4.670 . 4.670 4.033 3.907 4.233 . 0 0 "[ . 1 . 2]" 1
232 1 60 ILE HA 1 60 ILE HG12 4.170 . 4.170 2.656 2.571 2.717 . 0 0 "[ . 1 . 2]" 1
233 1 60 ILE H 1 60 ILE HG12 4.030 . 4.030 3.619 3.400 3.730 . 0 0 "[ . 1 . 2]" 1
234 1 14 MET HB3 1 15 PRO HD3 4.510 . 4.510 3.437 3.236 3.588 . 0 0 "[ . 1 . 2]" 1
235 1 45 SER HB2 1 46 ILE HA 5.410 . 5.410 4.385 4.110 4.500 . 0 0 "[ . 1 . 2]" 1
236 1 45 SER HB3 1 46 ILE HA 5.410 . 5.410 4.714 4.501 5.020 . 0 0 "[ . 1 . 2]" 1
237 1 46 ILE HA 1 47 LEU HG 5.460 . 5.460 5.284 5.176 5.360 . 0 0 "[ . 1 . 2]" 1
238 1 47 LEU H 1 48 GLY HA2 4.960 . 4.960 4.734 4.668 4.830 . 0 0 "[ . 1 . 2]" 1
239 1 47 LEU H 1 48 GLY HA3 5.280 . 5.280 5.056 5.008 5.119 . 0 0 "[ . 1 . 2]" 1
240 1 44 THR HA 1 48 GLY HA2 4.580 . 4.580 4.278 4.126 4.478 . 0 0 "[ . 1 . 2]" 1
241 1 49 ASN HB3 1 51 ALA H 4.630 . 4.630 4.354 4.303 4.427 . 0 0 "[ . 1 . 2]" 1
242 1 40 GLN HE22 1 50 ALA HA 4.670 . 4.670 3.584 3.153 4.465 . 0 0 "[ . 1 . 2]" 1
243 1 49 ASN HA 1 50 ALA HA 4.480 . 4.480 4.340 4.321 4.354 . 0 0 "[ . 1 . 2]" 1
244 1 44 THR HB 1 50 ALA HA 4.680 . 4.680 4.511 4.273 4.648 . 0 0 "[ . 1 . 2]" 1
245 1 40 GLN HE21 1 50 ALA HA 5.240 . 5.240 4.596 3.890 4.957 . 0 0 "[ . 1 . 2]" 1
246 1 50 ALA MB 1 51 ALA H 3.050 . 3.050 2.594 2.536 2.644 . 0 0 "[ . 1 . 2]" 1
247 1 51 ALA HA 1 54 LYS HB2 4.170 . 4.170 3.916 3.383 4.140 . 0 0 "[ . 1 . 2]" 1
248 1 51 ALA HA 1 55 GLN H 4.580 . 4.580 3.938 3.818 4.186 . 0 0 "[ . 1 . 2]" 1
249 1 51 ALA MB 1 55 GLN HE22 4.050 . 4.050 3.467 2.889 4.036 . 0 0 "[ . 1 . 2]" 1
250 1 51 ALA MB 1 52 ASN HD21 4.040 . 4.040 3.042 2.714 3.370 . 0 0 "[ . 1 . 2]" 1
251 1 52 ASN HA 1 55 GLN H 4.310 . 4.310 3.675 3.479 3.783 . 0 0 "[ . 1 . 2]" 1
252 1 52 ASN HA 1 55 GLN HB2 3.940 . 3.940 2.637 2.218 2.745 . 0 0 "[ . 1 . 2]" 1
253 1 52 ASN HA 1 55 GLN HB3 4.230 . 4.230 4.104 3.750 4.257 0.027 6 0 "[ . 1 . 2]" 1
254 1 21 ASN HD21 1 52 ASN HB3 4.720 . 4.720 2.725 2.453 3.105 . 0 0 "[ . 1 . 2]" 1
255 1 54 LYS HA 1 57 TYR QD 5.210 . 5.210 4.057 3.680 4.337 . 0 0 "[ . 1 . 2]" 1
256 1 8 GLN HA 1 8 GLN HG2 3.540 . 3.540 2.525 2.445 2.591 . 0 0 "[ . 1 . 2]" 1
257 1 40 GLN HG3 1 54 LYS HA 4.330 . 4.330 3.681 2.771 4.124 . 0 0 "[ . 1 . 2]" 1
258 1 40 GLN HE21 1 54 LYS HB3 4.600 . 4.600 4.064 3.951 4.277 . 0 0 "[ . 1 . 2]" 1
259 1 18 ASN HD21 1 20 LYS HB2 5.000 . 5.000 4.428 4.328 4.522 . 0 0 "[ . 1 . 2]" 1
260 1 18 ASN HD21 1 20 LYS HB3 5.410 . 5.410 4.523 4.338 4.705 . 0 0 "[ . 1 . 2]" 1
261 1 7 PRO HB2 1 10 PHE HB2 5.260 . 5.260 4.515 4.361 4.647 . 0 0 "[ . 1 . 2]" 1
262 1 7 PRO HB3 1 10 PHE HB2 5.500 . 5.500 4.379 4.282 4.533 . 0 0 "[ . 1 . 2]" 1
263 1 26 MET HA 1 26 MET HG2 3.880 . 3.880 3.653 3.621 3.693 . 0 0 "[ . 1 . 2]" 1
264 1 56 LEU HA 1 60 ILE MD 4.500 . 4.500 4.297 4.075 4.431 . 0 0 "[ . 1 . 2]" 1
265 1 23 ARG HA 1 26 MET HG2 4.580 . 4.580 2.572 2.326 2.823 . 0 0 "[ . 1 . 2]" 1
266 1 3 TYR HB3 1 26 MET ME 4.410 . 4.410 3.723 3.485 4.141 . 0 0 "[ . 1 . 2]" 1
267 1 3 TYR QD 1 26 MET HB3 5.200 . 5.200 4.597 4.204 4.905 . 0 0 "[ . 1 . 2]" 1
268 1 3 TYR QD 1 26 MET HB2 5.500 . 5.500 4.035 3.501 4.375 . 0 0 "[ . 1 . 2]" 1
269 1 8 GLN HG2 1 26 MET HB3 5.260 . 5.260 4.959 4.779 5.131 . 0 0 "[ . 1 . 2]" 1
270 1 9 ASP HA 1 12 LEU HB2 4.330 . 4.330 3.448 3.165 3.635 . 0 0 "[ . 1 . 2]" 1
271 1 55 GLN HA 1 58 ASP HB2 4.280 . 4.280 3.009 2.582 3.478 . 0 0 "[ . 1 . 2]" 1
272 1 55 GLN HA 1 55 GLN HG3 3.270 . 3.270 2.613 2.150 2.783 . 0 0 "[ . 1 . 2]" 1
273 1 16 GLY HA2 1 55 GLN HA 5.430 . 5.430 5.350 4.966 5.478 0.048 2 0 "[ . 1 . 2]" 1
274 1 16 GLY HA3 1 55 GLN HA 4.550 . 4.550 4.367 4.151 4.556 0.006 16 0 "[ . 1 . 2]" 1
275 1 55 GLN HG2 1 56 LEU H 5.100 . 5.100 5.090 5.034 5.150 0.050 12 0 "[ . 1 . 2]" 1
276 1 16 GLY HA3 1 55 GLN HG2 4.420 . 4.420 4.434 4.329 4.493 0.073 14 0 "[ . 1 . 2]" 1
277 1 51 ALA MB 1 55 GLN HG2 5.500 . 5.500 5.241 4.650 5.497 . 0 0 "[ . 1 . 2]" 1
278 1 45 SER H 1 46 ILE HB 5.080 . 5.080 4.864 4.641 4.984 . 0 0 "[ . 1 . 2]" 1
279 1 46 ILE HB 1 47 LEU HG 4.320 . 4.320 2.944 2.761 3.050 . 0 0 "[ . 1 . 2]" 1
280 1 38 LEU QD 1 46 ILE HB 4.450 . 4.450 3.572 3.468 3.772 . 0 0 "[ . 1 . 2]" 1
281 1 32 ILE HA 1 35 LEU HB3 4.010 . 4.010 2.011 1.978 2.046 . 0 0 "[ . 1 . 2]" 1
282 1 32 ILE HA 1 35 LEU HB2 4.070 . 4.070 3.134 3.010 3.181 . 0 0 "[ . 1 . 2]" 1
283 1 32 ILE HA 1 35 LEU HA 4.900 . 4.900 4.909 4.877 4.929 0.029 6 0 "[ . 1 . 2]" 1
284 1 17 VAL HA 1 21 ASN HD21 4.130 . 4.130 3.733 3.522 4.099 . 0 0 "[ . 1 . 2]" 1
285 1 17 VAL HA 1 18 ASN HB2 5.500 . 5.500 5.202 5.141 5.317 . 0 0 "[ . 1 . 2]" 1
286 1 17 VAL HA 1 21 ASN HB3 5.500 . 5.500 5.392 5.202 5.543 0.043 11 0 "[ . 1 . 2]" 1
287 1 15 PRO HA 1 17 VAL H 4.210 . 4.210 4.112 3.906 4.263 0.053 18 0 "[ . 1 . 2]" 1
288 1 15 PRO HA 1 16 GLY HA2 4.670 . 4.670 4.483 4.451 4.540 . 0 0 "[ . 1 . 2]" 1
289 1 15 PRO HB2 1 16 GLY HA2 4.630 . 4.630 4.494 4.312 4.595 . 0 0 "[ . 1 . 2]" 1
290 1 15 PRO HB3 1 16 GLY H 4.610 . 4.610 4.446 4.308 4.515 . 0 0 "[ . 1 . 2]" 1
291 1 15 PRO HB2 1 55 GLN HE22 5.500 . 5.500 5.449 5.326 5.524 0.024 3 0 "[ . 1 . 2]" 1
292 1 64 PHE HA 2 7 PRO HG2 3.930 . 3.930 1.982 1.820 2.280 . 0 0 "[ . 1 . 2]" 1
293 1 64 PHE QD 2 7 PRO HG2 4.130 . 4.130 2.778 2.456 3.033 . 0 0 "[ . 1 . 2]" 1
294 1 15 PRO HD2 1 59 PHE QD 4.620 . 4.620 3.380 3.139 3.766 . 0 0 "[ . 1 . 2]" 1
295 1 14 MET HA 1 15 PRO HD3 3.830 . 3.830 2.287 2.196 2.393 . 0 0 "[ . 1 . 2]" 1
296 1 14 MET HA 1 59 PHE QD 4.490 . 4.490 4.133 3.736 4.389 . 0 0 "[ . 1 . 2]" 1
297 1 14 MET HA 1 14 MET HG3 4.050 . 4.050 3.811 3.769 3.854 . 0 0 "[ . 1 . 2]" 1
298 1 14 MET HA 1 56 LEU MD1 4.660 . 4.660 4.329 4.237 4.444 . 0 0 "[ . 1 . 2]" 1
299 1 14 MET HB2 1 17 VAL HA 4.940 . 4.940 4.797 4.626 4.919 . 0 0 "[ . 1 . 2]" 1
300 1 14 MET HB2 1 56 LEU MD1 4.150 . 4.150 2.577 2.456 2.691 . 0 0 "[ . 1 . 2]" 1
301 1 13 LYS H 1 14 MET HG2 4.380 . 4.380 3.662 3.477 3.981 . 0 0 "[ . 1 . 2]" 1
302 1 13 LYS H 1 14 MET HG3 4.790 . 4.790 4.789 4.668 4.835 0.045 14 0 "[ . 1 . 2]" 1
303 1 64 PHE QE 2 31 ASN HA 4.540 . 4.540 2.535 2.347 2.734 . 0 0 "[ . 1 . 2]" 1
304 1 31 ASN HA 1 31 ASN HD21 4.450 . 4.450 3.964 3.881 4.012 . 0 0 "[ . 1 . 2]" 1
305 1 31 ASN HA 1 35 LEU H 5.330 . 5.330 4.852 4.811 4.961 . 0 0 "[ . 1 . 2]" 1
306 1 31 ASN HA 1 34 GLU HB2 5.500 . 5.500 5.049 4.983 5.122 . 0 0 "[ . 1 . 2]" 1
307 1 20 LYS HA 1 21 ASN HA 4.700 . 4.700 4.550 4.518 4.583 . 0 0 "[ . 1 . 2]" 1
308 1 30 LYS HA 1 31 ASN HA 5.500 . 5.500 4.686 4.660 4.712 . 0 0 "[ . 1 . 2]" 1
309 1 27 HIS HB2 1 29 VAL H 5.500 . 5.500 5.301 5.235 5.410 . 0 0 "[ . 1 . 2]" 1
310 1 27 HIS HB3 1 29 VAL H 5.500 . 5.500 5.438 5.341 5.563 0.063 17 0 "[ . 1 . 2]" 1
311 1 28 HIS HB2 1 46 ILE MG 4.110 . 4.110 2.340 2.204 2.559 . 0 0 "[ . 1 . 2]" 1
312 1 25 LEU HG 1 29 VAL H 4.890 . 4.890 4.928 4.895 4.980 0.090 15 0 "[ . 1 . 2]" 1
313 1 24 SER HA 1 27 HIS HD2 4.860 . 4.860 4.892 4.832 4.955 0.095 13 0 "[ . 1 . 2]" 1
314 1 23 ARG HG2 1 24 SER HB2 4.800 . 4.800 4.905 4.807 5.003 0.203 12 0 "[ . 1 . 2]" 1
315 1 23 ARG H 1 23 ARG HB2 3.710 . 3.710 3.591 3.569 3.611 . 0 0 "[ . 1 . 2]" 1
316 1 22 CYS H 1 23 ARG HG3 4.520 . 4.520 3.914 3.710 4.350 . 0 0 "[ . 1 . 2]" 1
317 1 7 PRO HG2 1 8 GLN HB2 3.850 . 3.850 3.823 3.742 3.873 0.023 13 0 "[ . 1 . 2]" 1
318 1 21 ASN HA 1 23 ARG H 4.340 . 4.340 4.033 3.826 4.174 . 0 0 "[ . 1 . 2]" 1
319 1 4 ASN HB3 1 6 GLY H 4.780 . 4.780 2.744 2.468 4.336 . 0 0 "[ . 1 . 2]" 1
320 1 4 ASN HB3 1 5 PRO HD2 4.270 . 4.270 2.541 2.094 3.214 . 0 0 "[ . 1 . 2]" 1
321 1 4 ASN HB2 1 5 PRO HD2 4.270 . 4.270 3.866 1.939 4.101 . 0 0 "[ . 1 . 2]" 1
322 1 18 ASN HA 1 19 ALA HA 4.410 . 4.410 4.308 4.291 4.320 . 0 0 "[ . 1 . 2]" 1
323 1 50 ALA MB 1 53 ALA H 4.850 . 4.850 4.576 4.519 4.632 . 0 0 "[ . 1 . 2]" 1
324 1 12 LEU HA 1 12 LEU MD1 4.000 . 4.000 3.970 3.928 3.992 . 0 0 "[ . 1 . 2]" 1
325 1 43 LEU HA 1 45 SER H 4.420 . 4.420 4.253 4.151 4.349 . 0 0 "[ . 1 . 2]" 1
326 1 11 LEU MD1 1 26 MET ME 4.270 . 4.270 2.048 1.992 2.186 . 0 0 "[ . 1 . 2]" 1
327 1 11 LEU MD2 1 26 MET ME 4.270 . 4.270 4.178 4.117 4.238 . 0 0 "[ . 1 . 2]" 1
328 1 11 LEU H 1 11 LEU MD1 4.250 . 4.250 3.478 3.364 3.621 . 0 0 "[ . 1 . 2]" 1
329 1 11 LEU MD1 1 25 LEU HB3 4.490 . 4.490 2.666 2.294 2.977 . 0 0 "[ . 1 . 2]" 1
330 1 8 GLN HB3 1 8 GLN HE21 4.510 . 4.510 3.413 3.293 3.507 . 0 0 "[ . 1 . 2]" 1
331 1 15 PRO HG2 1 59 PHE QD 4.260 . 4.260 3.868 3.541 4.178 . 0 0 "[ . 1 . 2]" 1
332 1 32 ILE MG 1 36 ALA H 4.090 . 4.090 3.809 3.678 3.925 . 0 0 "[ . 1 . 2]" 1
333 1 10 PHE QE 1 32 ILE MG 4.230 . 4.230 3.869 3.583 4.194 . 0 0 "[ . 1 . 2]" 1
334 1 64 PHE QE 2 32 ILE MG 5.500 . 5.500 5.537 5.434 5.588 0.088 4 0 "[ . 1 . 2]" 1
335 1 10 PHE QD 1 32 ILE MG 4.180 . 4.180 3.314 3.121 3.520 . 0 0 "[ . 1 . 2]" 1
336 1 36 ALA HA 2 32 ILE MG 4.520 . 4.520 3.963 3.678 4.176 . 0 0 "[ . 1 . 2]" 1
337 1 32 ILE MG 1 35 LEU HB2 4.670 . 4.670 4.535 4.405 4.607 . 0 0 "[ . 1 . 2]" 1
338 1 32 ILE HA 1 32 ILE HG12 4.150 . 4.150 3.109 3.054 3.152 . 0 0 "[ . 1 . 2]" 1
339 1 36 ALA H 1 60 ILE MD 4.940 . 4.940 4.585 4.336 4.696 . 0 0 "[ . 1 . 2]" 1
340 1 37 ALA H 1 60 ILE MD 5.110 . 5.110 4.859 4.616 4.982 . 0 0 "[ . 1 . 2]" 1
341 1 38 LEU H 1 60 ILE MD 4.540 . 4.540 4.102 3.973 4.352 . 0 0 "[ . 1 . 2]" 1
342 1 60 ILE HG13 1 60 ILE MG 3.260 . 3.260 3.182 3.172 3.193 . 0 0 "[ . 1 . 2]" 1
343 1 36 ALA H 1 60 ILE MG 4.810 . 4.810 4.601 4.409 4.813 0.003 12 0 "[ . 1 . 2]" 1
344 1 32 ILE H 2 60 ILE MG 4.570 . 4.570 4.283 3.960 4.480 . 0 0 "[ . 1 . 2]" 1
345 1 37 ALA H 1 60 ILE MG 5.100 . 5.100 4.832 4.641 5.042 . 0 0 "[ . 1 . 2]" 1
346 1 29 VAL MG1 1 46 ILE MD 3.550 . 3.550 3.196 3.051 3.354 . 0 0 "[ . 1 . 2]" 1
347 1 28 HIS HE1 1 46 ILE MD 4.550 . 4.550 4.050 2.962 4.751 0.201 13 0 "[ . 1 . 2]" 1
348 1 43 LEU H 1 46 ILE MD 4.810 . 4.810 3.794 3.608 4.035 . 0 0 "[ . 1 . 2]" 1
349 1 46 ILE MD 1 47 LEU H 4.050 . 4.050 4.034 3.771 4.139 0.089 13 0 "[ . 1 . 2]" 1
350 1 28 HIS HB2 1 46 ILE MD 3.790 . 3.790 3.561 3.193 3.801 0.011 17 0 "[ . 1 . 2]" 1
351 1 46 ILE MD 1 47 LEU HG 4.380 . 4.380 4.136 3.804 4.260 . 0 0 "[ . 1 . 2]" 1
352 1 42 GLU HB3 1 46 ILE MD 3.790 . 3.790 2.356 2.205 2.568 . 0 0 "[ . 1 . 2]" 1
353 1 46 ILE HG13 1 46 ILE MG 3.150 . 3.150 3.154 3.137 3.182 0.032 13 0 "[ . 1 . 2]" 1
354 1 46 ILE HB 1 46 ILE MD 3.170 . 3.170 2.256 2.191 2.318 . 0 0 "[ . 1 . 2]" 1
355 1 46 ILE MG 1 47 LEU HA 3.760 . 3.760 3.449 3.312 3.550 . 0 0 "[ . 1 . 2]" 1
356 1 21 ASN HB2 1 46 ILE MG 5.000 . 5.000 4.227 3.847 4.624 . 0 0 "[ . 1 . 2]" 1
357 1 46 ILE H 1 47 LEU HA 5.500 . 5.500 5.007 4.893 5.206 . 0 0 "[ . 1 . 2]" 1
358 1 47 LEU H 1 47 LEU HB2 4.040 . 4.040 2.522 2.454 2.576 . 0 0 "[ . 1 . 2]" 1
359 1 43 LEU HB2 1 47 LEU HG 5.380 . 5.380 4.735 4.507 4.917 . 0 0 "[ . 1 . 2]" 1
360 1 43 LEU HB2 1 56 LEU HB3 5.500 . 5.500 4.947 4.645 5.140 . 0 0 "[ . 1 . 2]" 1
361 1 41 ASP HA 1 43 LEU HB2 5.260 . 5.260 5.204 5.078 5.298 0.038 17 0 "[ . 1 . 2]" 1
362 1 43 LEU HB3 1 53 ALA HA 4.520 . 4.520 2.014 1.902 2.135 . 0 0 "[ . 1 . 2]" 1
363 1 43 LEU HA 1 43 LEU HG 3.890 . 3.890 3.495 3.464 3.528 . 0 0 "[ . 1 . 2]" 1
364 1 42 GLU H 1 43 LEU HB2 4.730 . 4.730 4.561 4.374 4.676 . 0 0 "[ . 1 . 2]" 1
365 1 43 LEU H 1 43 LEU MD1 4.860 . 4.860 3.229 3.126 3.376 . 0 0 "[ . 1 . 2]" 1
366 1 32 ILE MG 1 35 LEU H 4.660 . 4.660 4.628 4.587 4.671 0.011 2 0 "[ . 1 . 2]" 1
367 1 32 ILE HG12 1 32 ILE MG 3.570 . 3.570 3.204 3.195 3.211 . 0 0 "[ . 1 . 2]" 1
368 1 32 ILE H 1 32 ILE MD 3.990 . 3.990 3.069 2.963 3.138 . 0 0 "[ . 1 . 2]" 1
369 1 32 ILE HA 1 32 ILE MD 3.760 . 3.760 2.253 2.129 2.347 . 0 0 "[ . 1 . 2]" 1
370 1 7 PRO HA 1 32 ILE MD 3.830 . 3.830 2.282 2.110 2.453 . 0 0 "[ . 1 . 2]" 1
371 1 31 ASN HB2 1 32 ILE MD 4.290 . 4.290 3.708 3.625 3.809 . 0 0 "[ . 1 . 2]" 1
372 1 31 ASN HA 1 32 ILE MD 4.310 . 4.310 4.242 4.124 4.326 0.016 17 0 "[ . 1 . 2]" 1
373 1 10 PHE HZ 1 32 ILE MD 5.270 . 5.270 5.264 5.137 5.333 0.063 17 0 "[ . 1 . 2]" 1
374 1 10 PHE H 1 32 ILE MD 4.640 . 4.640 4.654 4.594 4.691 0.051 13 0 "[ . 1 . 2]" 1
375 1 29 VAL MG1 1 34 GLU HB3 3.450 . 3.450 2.217 2.062 2.361 . 0 0 "[ . 1 . 2]" 1
376 1 29 VAL MG1 1 38 LEU HG 3.140 . 3.140 2.422 2.335 2.505 . 0 0 "[ . 1 . 2]" 1
377 1 59 PHE HB3 1 60 ILE HG13 4.850 . 4.850 3.332 3.134 3.572 . 0 0 "[ . 1 . 2]" 1
378 1 59 PHE QE 2 10 PHE HB2 5.160 . 5.160 3.505 3.045 3.809 . 0 0 "[ . 1 . 2]" 1
379 1 45 SER HA 1 48 GLY H 4.910 . 4.910 4.208 4.051 4.366 . 0 0 "[ . 1 . 2]" 1
380 1 24 SER HB3 1 46 ILE HA 4.680 . 4.680 3.880 3.496 4.307 . 0 0 "[ . 1 . 2]" 1
381 1 23 ARG HG3 1 24 SER HB2 4.140 . 4.140 3.318 3.154 3.508 . 0 0 "[ . 1 . 2]" 1
382 1 36 ALA HA 1 37 ALA HA 4.800 . 4.800 4.729 4.708 4.756 . 0 0 "[ . 1 . 2]" 1
383 1 35 LEU HB3 1 36 ALA HA 5.340 . 5.340 4.705 4.639 4.771 . 0 0 "[ . 1 . 2]" 1
384 1 36 ALA HA 1 37 ALA MB 5.500 . 5.500 4.935 4.920 4.950 . 0 0 "[ . 1 . 2]" 1
385 1 36 ALA HA 1 38 LEU H 4.620 . 4.620 3.732 3.580 3.879 . 0 0 "[ . 1 . 2]" 1
386 1 59 PHE HZ 2 7 PRO HA 4.430 . 4.430 3.337 2.959 3.710 . 0 0 "[ . 1 . 2]" 1
387 1 10 PHE HB3 1 32 ILE MD 4.860 . 4.860 2.818 2.711 2.905 . 0 0 "[ . 1 . 2]" 1
388 1 57 TYR HA 1 58 ASP HA 4.910 . 4.910 4.817 4.776 4.868 . 0 0 "[ . 1 . 2]" 1
389 1 22 CYS HA 1 25 LEU H 4.040 . 4.040 3.334 3.213 3.485 . 0 0 "[ . 1 . 2]" 1
390 1 22 CYS HA 1 26 MET ME 4.530 . 4.530 3.757 3.544 3.989 . 0 0 "[ . 1 . 2]" 1
391 1 21 ASN HB2 1 22 CYS H 4.730 . 4.730 4.211 4.107 4.306 . 0 0 "[ . 1 . 2]" 1
392 1 64 PHE H 2 31 ASN HB3 4.680 . 4.680 3.311 3.050 3.539 . 0 0 "[ . 1 . 2]" 1
393 1 63 SER H 2 31 ASN HB3 5.370 . 5.370 4.061 3.888 4.418 . 0 0 "[ . 1 . 2]" 1
394 1 62 THR HB 2 31 ASN HB3 5.000 . 5.000 4.935 4.764 5.036 0.036 3 0 "[ . 1 . 2]" 1
395 1 26 MET HB2 1 27 HIS HA 4.620 . 4.620 4.393 4.331 4.471 . 0 0 "[ . 1 . 2]" 1
396 1 59 PHE HA 1 62 THR HB 3.800 . 3.800 2.696 2.491 2.897 . 0 0 "[ . 1 . 2]" 1
397 1 7 PRO HB3 2 62 THR HB 4.290 . 4.290 3.620 3.229 3.953 . 0 0 "[ . 1 . 2]" 1
398 1 7 PRO HG3 2 62 THR HB 4.410 . 4.410 3.199 2.954 3.512 . 0 0 "[ . 1 . 2]" 1
399 1 6 GLY HA2 1 10 PHE QD 4.960 . 4.960 4.248 3.865 4.649 . 0 0 "[ . 1 . 2]" 1
400 1 6 GLY HA2 1 10 PHE HB2 5.360 . 5.360 5.058 4.785 5.337 . 0 0 "[ . 1 . 2]" 1
401 1 5 PRO HB3 1 9 ASP HB3 5.330 . 5.330 5.339 4.937 5.443 0.113 17 0 "[ . 1 . 2]" 1
402 1 5 PRO HB3 1 9 ASP HB2 4.300 . 4.300 4.004 3.649 4.126 . 0 0 "[ . 1 . 2]" 1
403 1 56 LEU HA 1 56 LEU HG 3.980 . 3.980 3.310 3.230 3.443 . 0 0 "[ . 1 . 2]" 1
404 1 56 LEU HG 1 60 ILE H 5.370 . 5.370 4.817 4.637 5.053 . 0 0 "[ . 1 . 2]" 1
405 1 40 GLN HB2 1 57 TYR HB2 5.240 . 5.240 4.336 3.975 4.772 . 0 0 "[ . 1 . 2]" 1
406 1 40 GLN HB2 1 57 TYR HB3 5.240 . 5.240 4.341 3.741 4.927 . 0 0 "[ . 1 . 2]" 1
407 1 4 ASN HA 1 5 PRO HG2 5.150 . 5.150 4.387 4.305 4.516 . 0 0 "[ . 1 . 2]" 1
408 1 4 ASN HA 1 5 PRO HG3 5.500 . 5.500 4.422 4.364 4.552 . 0 0 "[ . 1 . 2]" 1
409 1 3 TYR QD 1 8 GLN HB2 5.080 . 5.080 3.235 3.082 3.510 . 0 0 "[ . 1 . 2]" 1
410 1 3 TYR QD 1 8 GLN HG3 4.470 . 4.470 3.329 2.623 3.779 . 0 0 "[ . 1 . 2]" 1
411 1 29 VAL HB 1 31 ASN HA 5.500 . 5.500 4.719 4.549 4.913 . 0 0 "[ . 1 . 2]" 1
412 1 55 GLN HG3 1 58 ASP HB2 5.500 . 5.500 5.261 4.750 5.532 0.032 5 0 "[ . 1 . 2]" 1
413 1 65 ALA MB 2 8 GLN HB2 5.500 . 5.500 5.326 5.050 5.563 0.063 17 0 "[ . 1 . 2]" 1
414 1 35 LEU HB2 1 36 ALA H 4.240 . 4.240 3.960 3.904 4.013 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU MD2 1 35 LEU HB2 4.740 . 4.740 4.076 3.913 4.240 . 0 0 "[ . 1 . 2]" 1
416 1 38 LEU HA 1 43 LEU H 5.500 . 5.500 5.355 5.063 5.487 . 0 0 "[ . 1 . 2]" 1
417 1 35 LEU HB2 1 36 ALA MB 5.280 . 5.280 5.217 5.171 5.274 . 0 0 "[ . 1 . 2]" 1
418 1 35 LEU HB3 1 36 ALA MB 4.590 . 4.590 3.942 3.870 4.010 . 0 0 "[ . 1 . 2]" 1
419 1 38 LEU HB2 1 43 LEU HA 5.500 . 5.500 5.054 4.802 5.241 . 0 0 "[ . 1 . 2]" 1
420 1 38 LEU QD 1 39 SER H . . 3.500 3.245 3.037 3.380 . 0 0 "[ . 1 . 2]" 1
421 1 29 VAL H 1 38 LEU QD 4.850 . 4.850 4.465 4.330 4.556 . 0 0 "[ . 1 . 2]" 1
422 1 38 LEU QD 1 43 LEU H 5.350 . 5.350 4.029 3.916 4.220 . 0 0 "[ . 1 . 2]" 1
423 1 38 LEU QD 1 46 ILE H 5.130 . 5.130 4.838 4.715 4.933 . 0 0 "[ . 1 . 2]" 1
424 1 29 VAL MG1 1 38 LEU HB2 4.320 . 4.320 4.214 4.107 4.323 0.003 13 0 "[ . 1 . 2]" 1
425 1 29 VAL MG1 1 38 LEU HB3 4.470 . 4.470 4.507 4.480 4.534 0.064 20 0 "[ . 1 . 2]" 1
426 1 38 LEU HB3 1 43 LEU HA 4.840 . 4.840 3.973 3.786 4.166 . 0 0 "[ . 1 . 2]" 1
427 1 29 VAL MG1 1 38 LEU HA 4.740 . 4.740 4.744 4.663 4.838 0.098 17 0 "[ . 1 . 2]" 1
428 1 44 THR HB 1 45 SER HA 4.440 . 4.440 3.999 3.897 4.063 . 0 0 "[ . 1 . 2]" 1
429 1 47 LEU HG 1 49 ASN H 5.150 . 5.150 4.927 4.805 5.146 . 0 0 "[ . 1 . 2]" 1
430 1 56 LEU HG 1 58 ASP H 5.360 . 5.360 5.330 5.213 5.399 0.039 15 0 "[ . 1 . 2]" 1
431 1 25 LEU HG 1 26 MET HA 4.430 . 4.430 3.770 3.537 4.000 . 0 0 "[ . 1 . 2]" 1
432 1 11 LEU HA 1 25 LEU MD2 3.870 . 3.870 3.471 3.329 3.653 . 0 0 "[ . 1 . 2]" 1
433 1 22 CYS HA 1 25 LEU MD2 4.080 . 4.080 3.180 3.005 3.419 . 0 0 "[ . 1 . 2]" 1
434 1 15 PRO HG3 1 59 PHE QE 4.750 . 4.750 4.419 4.070 4.750 0.000 8 0 "[ . 1 . 2]" 1
435 1 20 LYS H 1 20 LYS HG3 3.860 . 3.860 3.501 3.437 3.627 . 0 0 "[ . 1 . 2]" 1
436 1 30 LYS H 1 30 LYS HB2 3.670 . 3.670 3.600 3.587 3.609 . 0 0 "[ . 1 . 2]" 1
437 1 59 PHE QE 2 7 PRO HG3 5.420 . 5.420 5.192 4.874 5.385 . 0 0 "[ . 1 . 2]" 1
438 1 64 PHE HA 2 7 PRO HG3 4.550 . 4.550 3.048 2.888 3.191 . 0 0 "[ . 1 . 2]" 1
439 1 38 LEU HB3 1 38 LEU QD 3.040 . 3.040 2.096 2.080 2.107 . 0 0 "[ . 1 . 2]" 1
440 1 17 VAL HB 1 18 ASN HA 5.500 . 5.500 4.821 4.595 5.613 0.113 18 0 "[ . 1 . 2]" 1
441 1 26 MET HA 2 64 PHE QE 4.680 . 4.680 2.454 2.349 2.561 . 0 0 "[ . 1 . 2]" 1
442 1 16 GLY HA3 1 55 GLN HG3 5.360 . 5.360 4.595 4.371 4.952 . 0 0 "[ . 1 . 2]" 1
443 1 52 ASN HA 1 55 GLN HG3 5.500 . 5.500 4.549 3.891 5.233 . 0 0 "[ . 1 . 2]" 1
444 1 29 VAL HA 1 34 GLU HG3 4.840 . 4.840 2.871 2.808 2.955 . 0 0 "[ . 1 . 2]" 1
445 1 29 VAL HA 1 37 ALA MB 5.500 . 5.500 5.640 5.594 5.693 0.193 9 0 "[ . 1 . 2]" 1
446 1 26 MET HB2 1 27 HIS HD2 5.260 . 5.260 3.902 3.583 4.330 . 0 0 "[ . 1 . 2]" 1
447 1 25 LEU HB3 1 26 MET HG2 4.880 . 4.880 3.792 3.653 4.040 . 0 0 "[ . 1 . 2]" 1
448 1 11 LEU MD1 1 26 MET HG2 5.500 . 5.500 3.590 3.406 3.710 . 0 0 "[ . 1 . 2]" 1
449 1 26 MET ME 1 27 HIS H 5.500 . 5.500 4.872 4.787 4.963 . 0 0 "[ . 1 . 2]" 1
450 1 22 CYS HA 1 26 MET HB3 5.500 . 5.500 5.259 4.916 5.526 0.026 13 0 "[ . 1 . 2]" 1
451 1 26 MET HG2 1 27 HIS HA 5.200 . 5.200 5.093 4.867 5.215 0.015 13 0 "[ . 1 . 2]" 1
452 1 64 PHE QD 2 26 MET HG2 5.310 . 5.310 5.267 5.172 5.331 0.021 3 0 "[ . 1 . 2]" 1
453 1 3 TYR QD 1 26 MET HG2 5.500 . 5.500 5.487 5.230 5.668 0.168 20 0 "[ . 1 . 2]" 1
454 1 11 LEU MD2 1 26 MET HG2 5.500 . 5.500 5.570 5.554 5.591 0.091 1 0 "[ . 1 . 2]" 1
455 1 25 LEU HG 1 26 MET HG2 5.500 . 5.500 5.394 5.225 5.520 0.020 10 0 "[ . 1 . 2]" 1
456 1 24 SER HB2 1 27 HIS HB2 5.500 . 5.500 5.304 5.133 5.495 . 0 0 "[ . 1 . 2]" 1
457 1 24 SER HB3 1 27 HIS HB2 5.500 . 5.500 4.867 4.626 5.280 . 0 0 "[ . 1 . 2]" 1
458 1 26 MET HG2 1 27 HIS HB2 4.740 . 4.740 4.427 4.162 4.614 . 0 0 "[ . 1 . 2]" 1
459 1 27 HIS HB2 1 46 ILE MG 5.380 . 5.380 5.042 4.873 5.198 . 0 0 "[ . 1 . 2]" 1
460 1 27 HIS HB3 1 46 ILE MG 5.500 . 5.500 5.577 5.516 5.668 0.168 8 0 "[ . 1 . 2]" 1
461 1 26 MET HB2 1 27 HIS HB2 5.500 . 5.500 5.537 5.502 5.574 0.074 12 0 "[ . 1 . 2]" 1
462 1 7 PRO HB2 1 32 ILE H 5.500 . 5.500 4.613 4.406 4.825 . 0 0 "[ . 1 . 2]" 1
463 1 7 PRO HB3 1 32 ILE H 5.500 . 5.500 4.207 3.995 4.433 . 0 0 "[ . 1 . 2]" 1
464 1 3 TYR HB3 1 8 GLN H 5.500 . 5.500 5.099 4.803 5.523 0.023 9 0 "[ . 1 . 2]" 1
465 1 18 ASN H 1 21 ASN HB2 5.270 . 5.270 4.875 4.771 5.029 . 0 0 "[ . 1 . 2]" 1
466 1 21 ASN HB2 1 47 LEU H 5.360 . 5.360 4.822 4.617 5.014 . 0 0 "[ . 1 . 2]" 1
467 1 2 LYS HA 1 3 TYR HB2 5.280 . 5.280 5.213 4.486 5.519 0.239 15 0 "[ . 1 . 2]" 1
468 1 21 ASN HB3 1 47 LEU HA 4.450 . 4.450 3.025 2.662 3.591 . 0 0 "[ . 1 . 2]" 1
469 1 40 GLN HG3 1 57 TYR HB2 5.500 . 5.500 4.475 3.221 4.830 . 0 0 "[ . 1 . 2]" 1
470 1 40 GLN HG3 1 57 TYR HB3 5.500 . 5.500 3.801 2.633 4.243 . 0 0 "[ . 1 . 2]" 1
471 1 15 PRO HB3 1 59 PHE HB2 5.500 . 5.500 5.028 4.615 5.411 . 0 0 "[ . 1 . 2]" 1
472 1 20 LYS HG3 1 21 ASN HB3 4.480 . 4.480 3.262 3.045 3.715 . 0 0 "[ . 1 . 2]" 1
473 1 10 PHE HB2 1 32 ILE MD 4.640 . 4.640 3.040 2.980 3.148 . 0 0 "[ . 1 . 2]" 1
474 1 10 PHE HZ 2 10 PHE HB3 5.160 . 5.160 4.767 4.037 5.153 . 0 0 "[ . 1 . 2]" 1
475 1 59 PHE HZ 2 10 PHE HB3 5.500 . 5.500 5.229 4.740 5.526 0.026 7 0 "[ . 1 . 2]" 1
476 1 9 ASP HB2 1 10 PHE HA 5.500 . 5.500 5.528 5.335 5.555 0.055 6 0 "[ . 1 . 2]" 1
477 1 10 PHE HA 1 13 LYS HG2 4.410 . 4.410 2.738 2.017 3.447 . 0 0 "[ . 1 . 2]" 1
478 1 10 PHE HA 1 13 LYS HG3 4.410 . 4.410 2.747 2.341 3.258 . 0 0 "[ . 1 . 2]" 1
479 1 10 PHE HA 1 14 MET HG2 5.500 . 5.500 5.268 4.961 5.538 0.038 18 0 "[ . 1 . 2]" 1
480 1 29 VAL MG2 2 64 PHE QD 4.930 . 4.930 3.925 3.827 4.095 . 0 0 "[ . 1 . 2]" 1
481 1 32 ILE HG13 2 59 PHE QD 4.620 . 4.620 2.654 2.461 2.755 . 0 0 "[ . 1 . 2]" 1
482 1 11 LEU HG 2 64 PHE QD 5.490 . 5.490 3.828 3.625 4.067 . 0 0 "[ . 1 . 2]" 1
483 1 64 PHE QD 1 65 ALA MB 5.500 . 5.500 4.821 4.633 4.952 . 0 0 "[ . 1 . 2]" 1
484 1 14 MET HB3 1 15 PRO HB3 5.500 . 5.500 5.545 5.479 5.575 0.075 6 0 "[ . 1 . 2]" 1
485 1 62 THR MG 2 7 PRO HG2 3.920 . 3.920 3.413 3.295 3.610 . 0 0 "[ . 1 . 2]" 1
486 1 4 ASN HB3 1 5 PRO HD3 4.970 . 4.970 3.909 3.581 4.314 . 0 0 "[ . 1 . 2]" 1
487 1 5 PRO HD3 1 6 GLY H 4.940 . 4.940 4.205 4.118 4.265 . 0 0 "[ . 1 . 2]" 1
488 1 4 ASN HD21 1 5 PRO HD2 4.580 . 4.580 2.777 2.297 3.494 . 0 0 "[ . 1 . 2]" 1
489 1 4 ASN H 1 5 PRO HD3 5.250 . 5.250 4.958 4.858 5.139 . 0 0 "[ . 1 . 2]" 1
490 1 4 ASN HB2 1 5 PRO HD3 4.970 . 4.970 4.852 3.463 4.999 0.029 17 0 "[ . 1 . 2]" 1
491 1 4 ASN HA 1 5 PRO HD3 3.440 . 3.440 2.316 2.276 2.423 . 0 0 "[ . 1 . 2]" 1
492 1 14 MET HA 1 15 PRO HB3 5.080 . 5.080 4.799 4.721 4.885 . 0 0 "[ . 1 . 2]" 1
493 1 59 PHE QE 2 7 PRO HB3 4.480 . 4.480 3.847 3.555 4.120 . 0 0 "[ . 1 . 2]" 1
494 1 5 PRO HG2 1 6 GLY HA2 4.500 . 4.500 4.510 4.396 4.585 0.085 17 0 "[ . 1 . 2]" 1
495 1 40 GLN HB2 1 57 TYR QD 4.520 . 4.520 3.405 2.946 3.794 . 0 0 "[ . 1 . 2]" 1
496 1 40 GLN HB3 1 40 GLN HE21 4.430 . 4.430 4.341 4.082 4.404 . 0 0 "[ . 1 . 2]" 1
497 1 8 GLN HA 1 26 MET HB3 5.260 . 5.260 4.259 4.086 4.575 . 0 0 "[ . 1 . 2]" 1
498 1 23 ARG HA 1 26 MET HB3 5.500 . 5.500 4.821 4.485 5.122 . 0 0 "[ . 1 . 2]" 1
499 1 40 GLN HG2 1 54 LYS HA 4.330 . 4.330 3.035 2.734 3.359 . 0 0 "[ . 1 . 2]" 1
500 1 40 GLN HG2 1 57 TYR HB2 5.500 . 5.500 3.081 2.923 3.499 . 0 0 "[ . 1 . 2]" 1
501 1 40 GLN HG2 1 57 TYR HB3 5.500 . 5.500 2.859 2.579 3.697 . 0 0 "[ . 1 . 2]" 1
502 1 29 VAL MG1 1 34 GLU HG3 4.640 . 4.640 4.135 4.020 4.253 . 0 0 "[ . 1 . 2]" 1
503 1 33 ALA MB 1 34 GLU HG3 4.670 . 4.670 4.663 4.572 4.721 0.051 3 0 "[ . 1 . 2]" 1
504 1 31 ASN H 1 34 GLU HG2 4.990 . 4.990 3.968 3.694 4.173 . 0 0 "[ . 1 . 2]" 1
505 1 13 LYS HA 1 13 LYS HD3 3.910 . 3.910 2.122 1.944 2.546 . 0 0 "[ . 1 . 2]" 1
506 1 13 LYS HA 1 13 LYS HD2 3.910 . 3.910 3.289 2.377 3.839 . 0 0 "[ . 1 . 2]" 1
507 1 31 ASN H 1 34 GLU HB3 4.890 . 4.890 4.259 4.160 4.414 . 0 0 "[ . 1 . 2]" 1
508 1 31 ASN H 1 32 ILE HG12 5.500 . 5.500 5.607 5.582 5.626 0.126 10 0 "[ . 1 . 2]" 1
509 1 64 PHE QE 2 32 ILE HG12 5.500 . 5.500 4.825 4.454 5.056 . 0 0 "[ . 1 . 2]" 1
510 1 29 VAL HA 1 34 GLU HA 4.700 . 4.700 4.888 4.808 4.967 0.267 17 0 "[ . 1 . 2]" 1
511 1 38 LEU HA 1 42 GLU HB2 4.660 . 4.660 3.349 3.050 3.548 . 0 0 "[ . 1 . 2]" 1
512 1 38 LEU QD 1 42 GLU HB2 4.560 . 4.560 3.160 2.925 3.430 . 0 0 "[ . 1 . 2]" 1
513 1 29 VAL HA 1 34 GLU HB3 4.690 . 4.690 2.371 2.326 2.431 . 0 0 "[ . 1 . 2]" 1
514 1 41 ASP H 1 41 ASP HB3 3.590 . 3.590 2.727 2.459 3.467 . 0 0 "[ . 1 . 2]" 1
515 1 41 ASP HB2 1 42 GLU H 3.900 . 3.900 3.637 2.625 3.917 0.017 1 0 "[ . 1 . 2]" 1
516 1 58 ASP H 1 59 PHE H 3.540 . 3.540 2.758 2.661 2.829 . 0 0 "[ . 1 . 2]" 1
517 1 39 SER H 1 40 GLN H 4.630 . 4.630 4.511 4.468 4.544 . 0 0 "[ . 1 . 2]" 1
518 1 38 LEU H 1 39 SER H 4.860 . 4.860 4.601 4.583 4.622 . 0 0 "[ . 1 . 2]" 1
519 1 8 GLN H 1 9 ASP H 3.710 . 3.710 2.621 2.567 2.692 . 0 0 "[ . 1 . 2]" 1
520 1 6 GLY H 1 8 GLN H 4.590 . 4.590 3.416 3.239 3.535 . 0 0 "[ . 1 . 2]" 1
521 1 50 ALA H 1 51 ALA H 4.120 . 4.120 2.716 2.625 2.821 . 0 0 "[ . 1 . 2]" 1
522 1 17 VAL H 1 18 ASN H 4.410 . 4.410 4.344 4.302 4.378 . 0 0 "[ . 1 . 2]" 1
523 1 49 ASN H 1 50 ALA H 4.550 . 4.550 4.117 4.026 4.194 . 0 0 "[ . 1 . 2]" 1
524 1 18 ASN H 1 18 ASN HD21 4.440 . 4.440 2.786 2.581 2.996 . 0 0 "[ . 1 . 2]" 1
525 1 18 ASN H 1 21 ASN HD21 4.260 . 4.260 4.273 4.126 4.329 0.069 3 0 "[ . 1 . 2]" 1
526 1 57 TYR H 1 59 PHE H 4.880 . 4.880 4.514 4.350 4.601 . 0 0 "[ . 1 . 2]" 1
527 1 55 GLN H 1 57 TYR H 4.660 . 4.660 4.323 4.166 4.507 . 0 0 "[ . 1 . 2]" 1
528 1 57 TYR H 1 58 ASP H 3.520 . 3.520 2.638 2.547 2.702 . 0 0 "[ . 1 . 2]" 1
529 1 32 ILE H 1 33 ALA H 3.780 . 3.780 2.536 2.457 2.579 . 0 0 "[ . 1 . 2]" 1
530 1 63 SER H 1 64 PHE H 4.680 . 4.680 4.604 4.541 4.633 . 0 0 "[ . 1 . 2]" 1
531 1 45 SER H 1 47 LEU H 4.440 . 4.440 4.236 4.092 4.354 . 0 0 "[ . 1 . 2]" 1
532 1 47 LEU H 1 49 ASN H 4.720 . 4.720 4.156 4.079 4.267 . 0 0 "[ . 1 . 2]" 1
533 1 47 LEU H 1 48 GLY H 3.150 . 3.150 2.458 2.388 2.548 . 0 0 "[ . 1 . 2]" 1
534 1 30 LYS H 1 31 ASN H 3.170 . 3.170 2.605 2.550 2.659 . 0 0 "[ . 1 . 2]" 1
535 1 29 VAL H 1 30 LYS H 4.760 . 4.760 4.454 4.402 4.517 . 0 0 "[ . 1 . 2]" 1
536 1 19 ALA H 1 20 LYS H 3.550 . 3.550 2.598 2.469 2.743 . 0 0 "[ . 1 . 2]" 1
537 1 18 ASN HD21 1 19 ALA H 5.080 . 5.080 4.646 4.500 4.818 . 0 0 "[ . 1 . 2]" 1
538 1 49 ASN HD21 1 52 ASN H 4.680 . 4.680 4.587 4.448 4.664 . 0 0 "[ . 1 . 2]" 1
539 1 52 ASN H 1 52 ASN HD21 4.080 . 4.080 2.374 2.191 2.844 . 0 0 "[ . 1 . 2]" 1
540 1 31 ASN HD22 1 34 GLU H 5.500 . 5.500 5.434 5.270 5.532 0.032 19 0 "[ . 1 . 2]" 1
541 1 31 ASN H 1 34 GLU H 3.720 . 3.720 2.709 2.674 2.780 . 0 0 "[ . 1 . 2]" 1
542 1 49 ASN HD22 1 51 ALA H 4.510 . 4.510 2.964 2.731 3.063 . 0 0 "[ . 1 . 2]" 1
543 1 18 ASN H 1 21 ASN H 3.890 . 3.890 3.406 3.205 3.625 . 0 0 "[ . 1 . 2]" 1
544 1 20 LYS H 1 21 ASN H 3.000 . 3.000 2.749 2.685 2.846 . 0 0 "[ . 1 . 2]" 1
545 1 44 THR H 1 45 SER H 3.160 . 3.160 2.631 2.539 2.683 . 0 0 "[ . 1 . 2]" 1
546 1 42 GLU H 1 43 LEU H 3.250 . 3.250 2.621 2.493 2.686 . 0 0 "[ . 1 . 2]" 1
547 1 18 ASN H 1 22 CYS H 4.390 . 4.390 3.823 3.621 4.033 . 0 0 "[ . 1 . 2]" 1
548 1 22 CYS H 1 23 ARG H 3.200 . 3.200 2.640 2.550 2.750 . 0 0 "[ . 1 . 2]" 1
549 1 36 ALA H 1 37 ALA H 3.290 . 3.290 2.385 2.346 2.441 . 0 0 "[ . 1 . 2]" 1
550 1 28 HIS H 1 29 VAL H 2.870 . 2.870 2.164 2.070 2.249 . 0 0 "[ . 1 . 2]" 1
551 1 18 ASN H 1 20 LYS H 4.590 . 4.590 4.435 4.233 4.596 0.006 10 0 "[ . 1 . 2]" 1
552 1 9 ASP H 1 11 LEU H 4.540 . 4.540 4.167 4.122 4.251 . 0 0 "[ . 1 . 2]" 1
553 1 26 MET H 1 27 HIS H 3.120 . 3.120 2.615 2.578 2.683 . 0 0 "[ . 1 . 2]" 1
554 1 54 LYS H 1 57 TYR H 5.240 . 5.240 4.764 4.717 4.831 . 0 0 "[ . 1 . 2]" 1
555 1 53 ALA H 1 54 LYS H 3.210 . 3.210 2.717 2.665 2.794 . 0 0 "[ . 1 . 2]" 1
556 1 52 ASN H 1 54 LYS H 4.580 . 4.580 4.371 4.269 4.448 . 0 0 "[ . 1 . 2]" 1
557 1 54 LYS H 1 55 GLN H 3.090 . 3.090 2.708 2.556 2.783 . 0 0 "[ . 1 . 2]" 1
558 1 59 PHE H 1 61 HIS H 4.470 . 4.470 4.041 3.941 4.232 . 0 0 "[ . 1 . 2]" 1
559 1 40 GLN H 1 42 GLU H 4.450 . 4.450 4.177 3.900 4.430 . 0 0 "[ . 1 . 2]" 1
560 1 14 MET H 1 16 GLY H 5.150 . 5.150 4.782 4.557 5.124 . 0 0 "[ . 1 . 2]" 1
561 1 41 ASP H 1 42 GLU H 3.440 . 3.440 2.587 2.437 2.707 . 0 0 "[ . 1 . 2]" 1
562 1 39 SER H 1 42 GLU H 4.240 . 4.240 3.289 3.145 3.525 . 0 0 "[ . 1 . 2]" 1
563 1 42 GLU H 1 45 SER H 5.280 . 5.280 4.884 4.770 5.002 . 0 0 "[ . 1 . 2]" 1
564 1 45 SER H 1 48 GLY H 5.500 . 5.500 4.489 4.353 4.578 . 0 0 "[ . 1 . 2]" 1
565 1 48 GLY H 1 49 ASN H 3.010 . 3.010 2.497 2.392 2.593 . 0 0 "[ . 1 . 2]" 1
566 1 16 GLY H 1 17 VAL H 3.240 . 3.240 2.636 2.334 3.103 . 0 0 "[ . 1 . 2]" 1
567 1 60 ILE H 1 61 HIS H 3.640 . 3.640 2.663 2.572 2.779 . 0 0 "[ . 1 . 2]" 1
568 1 59 PHE H 1 60 ILE H 3.570 . 3.570 2.708 2.618 2.794 . 0 0 "[ . 1 . 2]" 1
569 1 33 ALA H 1 35 LEU H 4.170 . 4.170 3.930 3.896 3.968 . 0 0 "[ . 1 . 2]" 1
570 1 56 LEU H 1 57 TYR H 3.440 . 3.440 2.671 2.598 2.724 . 0 0 "[ . 1 . 2]" 1
571 1 56 LEU H 1 58 ASP H 4.480 . 4.480 3.852 3.741 3.957 . 0 0 "[ . 1 . 2]" 1
572 1 58 ASP H 1 60 ILE H 4.910 . 4.910 4.098 3.976 4.167 . 0 0 "[ . 1 . 2]" 1
573 1 35 LEU H 1 37 ALA H 4.420 . 4.420 3.720 3.673 3.775 . 0 0 "[ . 1 . 2]" 1
574 1 34 GLU H 1 35 LEU H 3.270 . 3.270 2.496 2.472 2.520 . 0 0 "[ . 1 . 2]" 1
575 1 35 LEU H 1 36 ALA H 3.320 . 3.320 2.824 2.786 2.867 . 0 0 "[ . 1 . 2]" 1
576 1 45 SER H 1 46 ILE H 3.270 . 3.270 2.532 2.476 2.579 . 0 0 "[ . 1 . 2]" 1
577 1 46 ILE H 1 47 LEU H 3.410 . 3.410 2.336 2.191 2.575 . 0 0 "[ . 1 . 2]" 1
578 1 6 GLY H 1 9 ASP H 4.290 . 4.290 3.962 3.824 4.079 . 0 0 "[ . 1 . 2]" 1
579 1 18 ASN H 1 21 ASN HD22 4.260 . 4.260 2.909 2.734 3.011 . 0 0 "[ . 1 . 2]" 1
580 1 52 ASN H 1 55 GLN H 4.890 . 4.890 4.756 4.653 4.838 . 0 0 "[ . 1 . 2]" 1
581 1 25 LEU H 1 26 MET H 3.310 . 3.310 2.829 2.755 2.905 . 0 0 "[ . 1 . 2]" 1
582 1 10 PHE H 1 11 LEU H 3.610 . 3.610 2.713 2.665 2.749 . 0 0 "[ . 1 . 2]" 1
583 1 9 ASP H 1 10 PHE H 3.380 . 3.380 2.450 2.402 2.513 . 0 0 "[ . 1 . 2]" 1
584 1 4 ASN H 1 4 ASN HD21 4.380 . 4.380 4.314 3.192 4.534 0.154 20 0 "[ . 1 . 2]" 1
585 1 10 PHE H 1 12 LEU H 5.070 . 5.070 4.383 4.246 4.489 . 0 0 "[ . 1 . 2]" 1
586 1 52 ASN H 1 53 ALA H 3.110 . 3.110 2.658 2.590 2.725 . 0 0 "[ . 1 . 2]" 1
587 1 52 ASN HD21 1 55 GLN HE21 5.210 . 5.210 4.727 4.255 5.249 0.039 17 0 "[ . 1 . 2]" 1
588 1 62 THR H 1 63 SER H 4.610 . 4.610 4.349 4.247 4.469 . 0 0 "[ . 1 . 2]" 1
589 1 12 LEU H 1 14 MET H 4.440 . 4.440 4.270 4.181 4.402 . 0 0 "[ . 1 . 2]" 1
590 1 11 LEU H 1 12 LEU H 3.820 . 3.820 2.677 2.594 2.753 . 0 0 "[ . 1 . 2]" 1
591 1 40 GLN HE21 1 54 LYS H 4.310 . 4.310 2.918 2.585 3.328 . 0 0 "[ . 1 . 2]" 1
592 1 55 GLN H 1 55 GLN HE21 4.860 . 4.860 3.697 3.201 4.828 . 0 0 "[ . 1 . 2]" 1
593 1 13 LYS H 1 14 MET H 3.040 . 3.040 2.432 2.368 2.540 . 0 0 "[ . 1 . 2]" 1
594 1 37 ALA H 1 38 LEU H 2.970 . 2.970 2.384 2.346 2.411 . 0 0 "[ . 1 . 2]" 1
595 1 36 ALA H 1 38 LEU H 4.560 . 4.560 4.116 4.073 4.186 . 0 0 "[ . 1 . 2]" 1
596 1 11 LEU H 1 13 LYS H 4.070 . 4.070 3.853 3.740 3.948 . 0 0 "[ . 1 . 2]" 1
597 1 8 GLN HE21 1 9 ASP H 4.380 . 4.380 3.544 3.408 3.636 . 0 0 "[ . 1 . 2]" 1
598 1 10 PHE H 1 10 PHE QD 3.880 . 3.880 3.061 2.759 3.359 . 0 0 "[ . 1 . 2]" 1
599 1 59 PHE H 1 59 PHE QD 4.170 . 4.170 4.137 4.079 4.173 0.003 5 0 "[ . 1 . 2]" 1
600 1 64 PHE H 1 64 PHE QD 3.780 . 3.780 2.529 2.238 2.785 . 0 0 "[ . 1 . 2]" 1
601 1 34 GLU H 1 37 ALA H 4.670 . 4.670 4.658 4.615 4.693 0.023 13 0 "[ . 1 . 2]" 1
602 1 59 PHE QD 1 60 ILE H 4.150 . 4.150 3.720 3.594 3.927 . 0 0 "[ . 1 . 2]" 1
603 1 49 ASN HD21 1 51 ALA H 3.970 . 3.970 3.732 3.480 3.846 . 0 0 "[ . 1 . 2]" 1
604 1 40 GLN H 1 57 TYR QD 4.220 . 4.220 3.700 3.360 4.125 . 0 0 "[ . 1 . 2]" 1
605 1 57 TYR H 1 57 TYR QD 4.400 . 4.400 4.168 4.089 4.204 . 0 0 "[ . 1 . 2]" 1
606 1 57 TYR QD 1 58 ASP H 4.580 . 4.580 4.045 3.694 4.399 . 0 0 "[ . 1 . 2]" 1
607 1 52 ASN H 1 52 ASN HD22 5.130 . 5.130 3.980 3.890 4.431 . 0 0 "[ . 1 . 2]" 1
608 1 31 ASN H 1 35 LEU H 4.090 . 4.090 3.523 3.480 3.582 . 0 0 "[ . 1 . 2]" 1
609 1 31 ASN H 1 32 ILE H 4.430 . 4.430 3.930 3.850 3.994 . 0 0 "[ . 1 . 2]" 1
610 1 64 PHE QE 2 29 VAL H 4.530 . 4.530 3.830 3.603 4.009 . 0 0 "[ . 1 . 2]" 1
611 1 64 PHE HZ 2 35 LEU H 5.110 . 5.110 4.609 4.468 4.793 . 0 0 "[ . 1 . 2]" 1
612 1 49 ASN H 1 53 ALA H 4.590 . 4.590 4.323 4.226 4.380 . 0 0 "[ . 1 . 2]" 1
613 1 40 GLN HE22 1 54 LYS H 4.450 . 4.450 3.527 3.072 4.327 . 0 0 "[ . 1 . 2]" 1
614 1 18 ASN HD22 1 20 LYS H 5.060 . 5.060 5.081 4.988 5.149 0.089 1 0 "[ . 1 . 2]" 1
615 1 18 ASN HD22 1 52 ASN HD22 3.800 . 3.800 2.851 2.526 3.011 . 0 0 "[ . 1 . 2]" 1
616 1 18 ASN HA 1 19 ALA H 3.070 . 3.070 2.567 2.472 2.646 . 0 0 "[ . 1 . 2]" 1
617 1 18 ASN HA 1 18 ASN HD21 4.260 . 4.260 4.203 4.148 4.279 0.019 4 0 "[ . 1 . 2]" 1
618 1 18 ASN HA 1 20 LYS H 4.270 . 4.270 4.246 4.104 4.333 0.063 7 0 "[ . 1 . 2]" 1
619 1 63 SER HA 1 65 ALA H 4.930 . 4.930 4.218 4.012 4.513 . 0 0 "[ . 1 . 2]" 1
620 1 63 SER HA 1 64 PHE H 2.930 . 2.930 2.229 2.155 2.313 . 0 0 "[ . 1 . 2]" 1
621 1 39 SER HA 1 40 GLN H 3.210 . 3.210 2.478 2.375 2.577 . 0 0 "[ . 1 . 2]" 1
622 1 29 VAL HA 1 34 GLU H 4.880 . 4.880 4.956 4.797 5.071 0.191 17 0 "[ . 1 . 2]" 1
623 1 29 VAL HA 1 31 ASN H 4.710 . 4.710 4.266 4.162 4.408 . 0 0 "[ . 1 . 2]" 1
624 1 29 VAL HA 1 30 LYS H 2.920 . 2.920 2.294 2.247 2.370 . 0 0 "[ . 1 . 2]" 1
625 1 3 TYR HA 1 4 ASN H 2.910 . 2.910 2.162 2.068 2.308 . 0 0 "[ . 1 . 2]" 1
626 1 38 LEU HA 1 39 SER H 3.070 . 3.070 2.226 2.173 2.292 . 0 0 "[ . 1 . 2]" 1
627 1 16 GLY HA3 1 55 GLN HE21 4.920 . 4.920 3.009 2.626 4.102 . 0 0 "[ . 1 . 2]" 1
628 1 52 ASN HA 1 55 GLN HE22 4.630 . 4.630 3.339 2.985 3.852 . 0 0 "[ . 1 . 2]" 1
629 1 52 ASN HA 1 52 ASN HD22 4.070 . 4.070 3.889 3.699 3.984 . 0 0 "[ . 1 . 2]" 1
630 1 52 ASN HA 1 52 ASN HD21 3.560 . 3.560 3.298 2.863 3.469 . 0 0 "[ . 1 . 2]" 1
631 1 5 PRO HA 1 8 GLN HE21 5.130 . 5.130 4.679 4.244 5.134 0.004 9 0 "[ . 1 . 2]" 1
632 1 5 PRO HA 1 6 GLY H 3.350 . 3.350 3.194 3.118 3.260 . 0 0 "[ . 1 . 2]" 1
633 1 58 ASP HA 1 61 HIS H 4.070 . 4.070 3.575 3.444 3.692 . 0 0 "[ . 1 . 2]" 1
634 1 8 GLN HE21 1 9 ASP HA 4.470 . 4.470 2.432 2.311 2.599 . 0 0 "[ . 1 . 2]" 1
635 1 44 THR HA 1 45 SER H 3.520 . 3.520 3.500 3.483 3.515 . 0 0 "[ . 1 . 2]" 1
636 1 9 ASP HA 1 12 LEU H 4.160 . 4.160 3.340 3.140 3.445 . 0 0 "[ . 1 . 2]" 1
637 1 26 MET HA 1 29 VAL H 3.750 . 3.750 3.307 3.268 3.342 . 0 0 "[ . 1 . 2]" 1
638 1 39 SER HB2 1 40 GLN H 3.740 . 3.740 3.340 2.548 3.843 0.103 15 0 "[ . 1 . 2]" 1
639 1 56 LEU HA 1 60 ILE H 4.880 . 4.880 4.389 4.134 4.725 . 0 0 "[ . 1 . 2]" 1
640 1 17 VAL HA 1 18 ASN H 2.940 . 2.940 2.198 2.114 2.321 . 0 0 "[ . 1 . 2]" 1
641 1 17 VAL HA 1 21 ASN HD22 4.130 . 4.130 2.073 1.832 2.498 . 0 0 "[ . 1 . 2]" 1
642 1 50 ALA HA 1 53 ALA H 3.840 . 3.840 3.491 3.397 3.569 . 0 0 "[ . 1 . 2]" 1
643 1 62 THR HA 1 63 SER H 2.840 . 2.840 2.147 2.122 2.173 . 0 0 "[ . 1 . 2]" 1
644 1 6 GLY HA2 1 9 ASP H 5.160 . 5.160 4.274 4.123 4.499 . 0 0 "[ . 1 . 2]" 1
645 1 7 PRO HA 1 9 ASP H 5.500 . 5.500 4.494 4.350 4.647 . 0 0 "[ . 1 . 2]" 1
646 1 39 SER H 1 39 SER HB3 3.970 . 3.970 3.434 2.593 3.724 . 0 0 "[ . 1 . 2]" 1
647 1 48 GLY HA3 1 49 ASN H 3.540 . 3.540 3.438 3.354 3.479 . 0 0 "[ . 1 . 2]" 1
648 1 19 ALA HA 1 22 CYS H 4.040 . 4.040 3.374 3.137 3.513 . 0 0 "[ . 1 . 2]" 1
649 1 55 GLN HA 1 58 ASP H 4.380 . 4.380 3.664 3.480 3.855 . 0 0 "[ . 1 . 2]" 1
650 1 55 GLN HA 1 57 TYR H 5.160 . 5.160 4.828 4.749 5.016 . 0 0 "[ . 1 . 2]" 1
651 1 24 SER H 1 24 SER HB2 3.140 . 3.140 2.096 2.059 2.148 . 0 0 "[ . 1 . 2]" 1
652 1 55 GLN HA 1 55 GLN HE21 4.740 . 4.740 4.496 4.397 4.833 0.093 17 0 "[ . 1 . 2]" 1
653 1 15 PRO HA 1 16 GLY H 3.480 . 3.480 3.357 3.252 3.469 . 0 0 "[ . 1 . 2]" 1
654 1 62 THR H 1 62 THR HB 3.440 . 3.440 2.435 2.404 2.485 . 0 0 "[ . 1 . 2]" 1
655 1 34 GLU HA 1 37 ALA H 3.620 . 3.620 3.066 2.981 3.158 . 0 0 "[ . 1 . 2]" 1
656 1 18 ASN H 1 22 CYS HA 4.750 . 4.750 4.755 4.694 4.799 0.049 13 0 "[ . 1 . 2]" 1
657 1 60 ILE H 1 62 THR HB 5.500 . 5.500 5.229 5.113 5.331 . 0 0 "[ . 1 . 2]" 1
658 1 8 GLN HA 1 8 GLN HE21 4.560 . 4.560 3.901 3.744 4.101 . 0 0 "[ . 1 . 2]" 1
659 1 8 GLN HA 1 10 PHE H 4.360 . 4.360 4.264 4.191 4.371 0.011 12 0 "[ . 1 . 2]" 1
660 1 7 PRO HD2 1 8 GLN H 4.200 . 4.200 2.836 2.743 2.917 . 0 0 "[ . 1 . 2]" 1
661 1 43 LEU HA 1 47 LEU H 3.890 . 3.890 3.460 3.377 3.571 . 0 0 "[ . 1 . 2]" 1
662 1 45 SER H 1 45 SER HB2 3.440 . 3.440 2.543 2.467 2.910 . 0 0 "[ . 1 . 2]" 1
663 1 45 SER H 1 45 SER HB3 3.440 . 3.440 3.549 3.503 3.569 0.129 5 0 "[ . 1 . 2]" 1
664 1 40 GLN HE21 1 54 LYS HA 4.180 . 4.180 2.226 1.851 2.965 . 0 0 "[ . 1 . 2]" 1
665 1 48 GLY HA2 1 49 ASN H 3.550 . 3.550 3.075 3.028 3.195 . 0 0 "[ . 1 . 2]" 1
666 1 53 ALA HA 1 56 LEU H 4.080 . 4.080 3.698 3.558 3.812 . 0 0 "[ . 1 . 2]" 1
667 1 12 LEU HA 1 14 MET H 4.380 . 4.380 3.334 3.163 3.512 . 0 0 "[ . 1 . 2]" 1
668 1 33 ALA HA 1 36 ALA H 4.220 . 4.220 4.031 3.912 4.131 . 0 0 "[ . 1 . 2]" 1
669 1 32 ILE HA 1 34 GLU H 4.840 . 4.840 4.710 4.664 4.768 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE HA 1 36 ALA H 4.320 . 4.320 3.940 3.802 4.053 . 0 0 "[ . 1 . 2]" 1
671 1 32 ILE HA 1 35 LEU H 3.870 . 3.870 3.405 3.358 3.447 . 0 0 "[ . 1 . 2]" 1
672 1 10 PHE HB3 1 11 LEU H 4.100 . 4.100 3.105 2.964 3.241 . 0 0 "[ . 1 . 2]" 1
673 1 44 THR H 1 44 THR HB 3.670 . 3.670 3.466 3.366 3.514 . 0 0 "[ . 1 . 2]" 1
674 1 10 PHE H 1 10 PHE HB3 3.560 . 3.560 3.303 3.198 3.408 . 0 0 "[ . 1 . 2]" 1
675 1 44 THR HB 1 45 SER H 4.180 . 4.180 3.332 3.153 3.443 . 0 0 "[ . 1 . 2]" 1
676 1 60 ILE HA 2 32 ILE H 4.640 . 4.640 3.962 3.725 4.290 . 0 0 "[ . 1 . 2]" 1
677 1 16 GLY HA2 1 56 LEU H 4.580 . 4.580 4.429 4.155 4.589 0.009 15 0 "[ . 1 . 2]" 1
678 1 60 ILE HA 2 33 ALA H 4.540 . 4.540 4.363 4.230 4.571 0.031 7 0 "[ . 1 . 2]" 1
679 1 52 ASN HB3 1 53 ALA H 3.760 . 3.760 3.290 3.128 3.359 . 0 0 "[ . 1 . 2]" 1
680 1 52 ASN H 1 52 ASN HB3 3.520 . 3.520 3.463 3.353 3.485 . 0 0 "[ . 1 . 2]" 1
681 1 28 HIS HB2 1 29 VAL H 3.930 . 3.930 3.870 3.349 4.074 0.144 9 0 "[ . 1 . 2]" 1
682 1 58 ASP H 1 59 PHE HB2 5.410 . 5.410 4.988 4.854 5.122 . 0 0 "[ . 1 . 2]" 1
683 1 58 ASP H 1 59 PHE HB3 5.500 . 5.500 5.130 5.037 5.259 . 0 0 "[ . 1 . 2]" 1
684 1 9 ASP H 1 10 PHE HB2 4.640 . 4.640 4.199 4.152 4.255 . 0 0 "[ . 1 . 2]" 1
685 1 10 PHE HB2 1 11 LEU H 3.970 . 3.970 3.235 3.098 3.375 . 0 0 "[ . 1 . 2]" 1
686 1 64 PHE HB2 1 65 ALA H 4.180 . 4.180 2.570 2.316 2.872 . 0 0 "[ . 1 . 2]" 1
687 1 64 PHE H 1 64 PHE HB2 3.700 . 3.700 2.658 2.547 2.823 . 0 0 "[ . 1 . 2]" 1
688 1 21 ASN H 1 21 ASN HB2 3.990 . 3.990 3.683 3.650 3.736 . 0 0 "[ . 1 . 2]" 1
689 1 14 MET H 1 14 MET HG2 3.640 . 3.640 2.376 2.072 2.639 . 0 0 "[ . 1 . 2]" 1
690 1 64 PHE H 1 64 PHE HB3 3.700 . 3.700 3.581 3.555 3.599 . 0 0 "[ . 1 . 2]" 1
691 1 18 ASN HB3 1 19 ALA H 3.550 . 3.550 2.838 2.732 2.956 . 0 0 "[ . 1 . 2]" 1
692 1 18 ASN HB3 1 20 LYS H 4.040 . 4.040 3.694 3.561 3.836 . 0 0 "[ . 1 . 2]" 1
693 1 40 GLN H 1 57 TYR HB2 5.500 . 5.500 4.610 4.314 4.901 . 0 0 "[ . 1 . 2]" 1
694 1 40 GLN H 1 57 TYR HB3 5.500 . 5.500 5.293 4.948 5.524 0.024 6 0 "[ . 1 . 2]" 1
695 1 57 TYR H 1 57 TYR HB2 3.810 . 3.810 2.455 2.344 2.540 . 0 0 "[ . 1 . 2]" 1
696 1 57 TYR H 1 57 TYR HB3 3.810 . 3.810 2.598 2.526 2.727 . 0 0 "[ . 1 . 2]" 1
697 1 22 CYS HB2 1 23 ARG H 4.220 . 4.220 3.723 3.637 3.829 . 0 0 "[ . 1 . 2]" 1
698 1 22 CYS H 1 22 CYS HB2 3.610 . 3.610 2.373 2.317 2.459 . 0 0 "[ . 1 . 2]" 1
699 1 9 ASP HB2 1 10 PHE H 3.930 . 3.930 3.798 3.556 3.875 . 0 0 "[ . 1 . 2]" 1
700 1 28 HIS HB3 1 29 VAL H 3.930 . 3.930 3.369 2.955 3.712 . 0 0 "[ . 1 . 2]" 1
701 1 28 HIS H 1 28 HIS HB3 3.390 . 3.390 2.963 2.631 3.422 0.032 15 0 "[ . 1 . 2]" 1
702 1 30 LYS HE2 1 33 ALA H 5.500 . 5.500 4.523 4.035 5.242 . 0 0 "[ . 1 . 2]" 1
703 1 30 LYS HE3 1 33 ALA H 5.500 . 5.500 5.553 5.520 5.584 0.084 2 0 "[ . 1 . 2]" 1
704 1 6 GLY H 1 9 ASP HB2 4.760 . 4.760 4.750 4.564 4.847 0.087 16 0 "[ . 1 . 2]" 1
705 1 58 ASP HB2 1 59 PHE H 3.880 . 3.880 3.554 3.293 3.773 . 0 0 "[ . 1 . 2]" 1
706 1 21 ASN HB3 1 21 ASN HD22 4.090 . 4.090 3.665 3.507 3.760 . 0 0 "[ . 1 . 2]" 1
707 1 21 ASN H 1 21 ASN HB3 3.800 . 3.800 2.944 2.823 3.053 . 0 0 "[ . 1 . 2]" 1
708 1 18 ASN H 1 18 ASN HB2 4.150 . 4.150 3.338 3.281 3.499 . 0 0 "[ . 1 . 2]" 1
709 1 18 ASN HB2 1 19 ALA H 3.650 . 3.650 2.615 2.466 2.796 . 0 0 "[ . 1 . 2]" 1
710 1 18 ASN HB2 1 20 LYS H 4.210 . 4.210 2.191 2.099 2.280 . 0 0 "[ . 1 . 2]" 1
711 1 18 ASN HB2 1 18 ASN HD21 3.480 . 3.480 2.282 2.232 2.339 . 0 0 "[ . 1 . 2]" 1
712 1 49 ASN HB2 1 52 ASN HD21 4.530 . 4.530 3.874 3.638 4.377 . 0 0 "[ . 1 . 2]" 1
713 1 49 ASN H 1 49 ASN HB2 3.580 . 3.580 3.441 3.379 3.492 . 0 0 "[ . 1 . 2]" 1
714 1 49 ASN HB2 1 49 ASN HD22 3.740 . 3.740 3.573 3.550 3.615 . 0 0 "[ . 1 . 2]" 1
715 1 9 ASP HB3 1 10 PHE H 3.910 . 3.910 2.789 2.646 3.122 . 0 0 "[ . 1 . 2]" 1
716 1 4 ASN HB2 1 6 GLY H 4.780 . 4.780 3.155 2.780 3.382 . 0 0 "[ . 1 . 2]" 1
717 1 9 ASP H 1 9 ASP HB3 3.550 . 3.550 2.677 2.507 3.096 . 0 0 "[ . 1 . 2]" 1
718 1 49 ASN HB3 1 50 ALA H 4.540 . 4.540 4.236 4.179 4.313 . 0 0 "[ . 1 . 2]" 1
719 1 49 ASN HB3 1 53 ALA H 4.180 . 4.180 3.992 3.874 4.089 . 0 0 "[ . 1 . 2]" 1
720 1 49 ASN HB3 1 52 ASN HD21 4.010 . 4.010 2.935 2.697 3.461 . 0 0 "[ . 1 . 2]" 1
721 1 15 PRO HD2 1 16 GLY H 4.490 . 4.490 2.863 2.598 3.040 . 0 0 "[ . 1 . 2]" 1
722 1 61 HIS H 1 61 HIS HB3 3.830 . 3.830 3.213 2.354 3.720 . 0 0 "[ . 1 . 2]" 1
723 1 4 ASN H 1 4 ASN HB3 3.610 . 3.610 3.524 2.601 3.599 . 0 0 "[ . 1 . 2]" 1
724 1 31 ASN HB2 1 32 ILE H 4.060 . 4.060 1.533 1.491 1.563 . 0 0 "[ . 1 . 2]" 1
725 1 26 MET HG2 1 27 HIS H 3.210 . 3.210 2.933 2.814 3.053 . 0 0 "[ . 1 . 2]" 1
726 1 40 GLN H 1 41 ASP HB2 5.500 . 5.500 5.104 4.768 5.733 0.233 18 0 "[ . 1 . 2]" 1
727 1 40 GLN H 1 41 ASP HB3 5.500 . 5.500 5.205 4.941 5.782 0.282 10 0 "[ . 1 . 2]" 1
728 1 58 ASP H 1 58 ASP HB3 3.600 . 3.600 2.777 2.430 3.040 . 0 0 "[ . 1 . 2]" 1
729 1 16 GLY H 1 55 GLN HG2 5.480 . 5.480 5.441 5.052 5.544 0.064 8 0 "[ . 1 . 2]" 1
730 1 58 ASP HB3 1 59 PHE H 3.980 . 3.980 2.367 2.229 2.509 . 0 0 "[ . 1 . 2]" 1
731 1 51 ALA H 1 52 ASN HB2 4.570 . 4.570 4.459 4.398 4.507 . 0 0 "[ . 1 . 2]" 1
732 1 52 ASN HB2 1 53 ALA H 3.580 . 3.580 2.845 2.782 3.039 . 0 0 "[ . 1 . 2]" 1
733 1 49 ASN H 1 52 ASN HB2 4.490 . 4.490 3.992 3.820 4.290 . 0 0 "[ . 1 . 2]" 1
734 1 8 GLN HE21 1 8 GLN HG2 3.540 . 3.540 2.221 2.201 2.252 . 0 0 "[ . 1 . 2]" 1
735 1 8 GLN HG2 1 9 ASP H 4.100 . 4.100 4.110 3.958 4.166 0.066 9 0 "[ . 1 . 2]" 1
736 1 42 GLU H 1 42 GLU HB2 3.040 . 3.040 2.172 2.094 2.333 . 0 0 "[ . 1 . 2]" 1
737 1 29 VAL HB 1 35 LEU H 3.370 . 3.370 2.775 2.617 2.894 . 0 0 "[ . 1 . 2]" 1
738 1 35 LEU H 1 35 LEU HB2 3.850 . 3.850 2.758 2.716 2.801 . 0 0 "[ . 1 . 2]" 1
739 1 42 GLU HB2 1 43 LEU H 3.540 . 3.540 2.808 2.642 3.130 . 0 0 "[ . 1 . 2]" 1
740 1 39 SER H 1 42 GLU HB2 3.520 . 3.520 1.770 1.627 2.135 . 0 0 "[ . 1 . 2]" 1
741 1 30 LYS H 1 34 GLU HG2 4.190 . 4.190 2.872 2.612 3.035 . 0 0 "[ . 1 . 2]" 1
742 1 31 ASN HB3 1 33 ALA H 5.500 . 5.500 4.841 4.768 4.905 . 0 0 "[ . 1 . 2]" 1
743 1 33 ALA H 1 34 GLU HG2 5.500 . 5.500 5.312 5.147 5.465 . 0 0 "[ . 1 . 2]" 1
744 1 31 ASN HB3 1 32 ILE H 4.150 . 4.150 3.178 3.139 3.193 . 0 0 "[ . 1 . 2]" 1
745 1 5 PRO HB3 1 6 GLY H 4.520 . 4.520 4.557 4.532 4.570 0.050 2 0 "[ . 1 . 2]" 1
746 1 38 LEU H 1 38 LEU HG 3.100 . 3.100 2.363 2.198 2.466 . 0 0 "[ . 1 . 2]" 1
747 1 37 ALA H 1 38 LEU HG 4.210 . 4.210 3.835 3.741 3.979 . 0 0 "[ . 1 . 2]" 1
748 1 17 VAL HB 1 18 ASN H 4.270 . 4.270 3.883 3.786 3.976 . 0 0 "[ . 1 . 2]" 1
749 1 55 GLN HB2 1 56 LEU H 3.650 . 3.650 2.732 2.661 2.841 . 0 0 "[ . 1 . 2]" 1
750 1 30 LYS H 1 34 GLU HB3 4.070 . 4.070 2.913 2.857 3.033 . 0 0 "[ . 1 . 2]" 1
751 1 55 GLN H 1 55 GLN HB2 3.220 . 3.220 2.243 2.145 2.366 . 0 0 "[ . 1 . 2]" 1
752 1 16 GLY H 1 17 VAL HB 4.630 . 4.630 4.156 3.860 4.410 . 0 0 "[ . 1 . 2]" 1
753 1 55 GLN HB2 1 55 GLN HE21 4.260 . 4.260 1.977 1.714 2.912 . 0 0 "[ . 1 . 2]" 1
754 1 43 LEU HB2 1 53 ALA H 5.500 . 5.500 5.572 5.530 5.608 0.108 7 0 "[ . 1 . 2]" 1
755 1 5 PRO HB2 1 9 ASP H 5.080 . 5.080 5.052 4.939 5.144 0.064 6 0 "[ . 1 . 2]" 1
756 1 26 MET H 1 26 MET HB3 3.370 . 3.370 2.727 2.613 2.791 . 0 0 "[ . 1 . 2]" 1
757 1 40 GLN H 1 40 GLN HG2 4.350 . 4.350 4.062 3.886 4.348 . 0 0 "[ . 1 . 2]" 1
758 1 41 ASP H 1 43 LEU HB2 5.500 . 5.500 4.955 4.789 5.061 . 0 0 "[ . 1 . 2]" 1
759 1 26 MET HB3 1 29 VAL H 5.500 . 5.500 5.580 5.555 5.609 0.109 7 0 "[ . 1 . 2]" 1
760 1 26 MET HB2 1 29 VAL H 5.500 . 5.500 5.192 5.127 5.322 . 0 0 "[ . 1 . 2]" 1
761 1 40 GLN HE21 1 40 GLN HG2 3.530 . 3.530 2.230 2.189 2.279 . 0 0 "[ . 1 . 2]" 1
762 1 32 ILE H 1 32 ILE HG12 3.970 . 3.970 1.763 1.695 1.854 . 0 0 "[ . 1 . 2]" 1
763 1 13 LYS H 1 13 LYS HB2 3.700 . 3.700 2.390 2.252 2.487 . 0 0 "[ . 1 . 2]" 1
764 1 14 MET H 1 14 MET HB2 3.420 . 3.420 2.487 2.415 2.576 . 0 0 "[ . 1 . 2]" 1
765 1 54 LYS H 1 54 LYS HB3 3.230 . 3.230 2.585 2.438 2.736 . 0 0 "[ . 1 . 2]" 1
766 1 42 GLU H 1 42 GLU HB3 3.700 . 3.700 3.459 3.356 3.563 . 0 0 "[ . 1 . 2]" 1
767 1 39 SER H 1 42 GLU HB3 3.950 . 3.950 3.042 2.770 3.331 . 0 0 "[ . 1 . 2]" 1
768 1 66 GLU H 1 66 GLU HB3 3.630 . 3.630 3.262 2.557 3.611 . 0 0 "[ . 1 . 2]" 1
769 1 30 LYS H 1 34 GLU HB2 3.920 . 3.920 1.864 1.791 1.930 . 0 0 "[ . 1 . 2]" 1
770 1 34 GLU H 1 34 GLU HB2 3.310 . 3.310 2.254 2.204 2.331 . 0 0 "[ . 1 . 2]" 1
771 1 31 ASN H 1 34 GLU HB2 3.360 . 3.360 2.542 2.461 2.665 . 0 0 "[ . 1 . 2]" 1
772 1 26 MET H 1 26 MET ME 3.530 . 3.530 3.300 3.229 3.375 . 0 0 "[ . 1 . 2]" 1
773 1 20 LYS H 1 20 LYS HB3 2.790 . 2.790 2.699 2.599 2.798 0.008 13 0 "[ . 1 . 2]" 1
774 1 60 ILE H 1 60 ILE HB 3.300 . 3.300 2.487 2.394 2.612 . 0 0 "[ . 1 . 2]" 1
775 1 47 LEU HB2 1 49 ASN H 3.400 . 3.400 2.581 2.464 2.744 . 0 0 "[ . 1 . 2]" 1
776 1 13 LYS H 1 13 LYS HB3 3.700 . 3.700 3.600 3.540 3.642 . 0 0 "[ . 1 . 2]" 1
777 1 47 LEU H 1 47 LEU HG 3.030 . 3.030 2.183 2.034 2.263 . 0 0 "[ . 1 . 2]" 1
778 1 56 LEU H 1 56 LEU HB3 3.310 . 3.310 2.411 2.296 2.492 . 0 0 "[ . 1 . 2]" 1
779 1 32 ILE HB 1 33 ALA H 3.750 . 3.750 2.731 2.689 2.757 . 0 0 "[ . 1 . 2]" 1
780 1 32 ILE H 1 32 ILE HB 3.890 . 3.890 2.677 2.649 2.713 . 0 0 "[ . 1 . 2]" 1
781 1 56 LEU HB3 1 58 ASP H 5.030 . 5.030 4.742 4.594 4.850 . 0 0 "[ . 1 . 2]" 1
782 1 54 LYS HB2 1 55 GLN H 4.070 . 4.070 3.813 3.625 3.947 . 0 0 "[ . 1 . 2]" 1
783 1 55 GLN HB3 1 55 GLN HE22 4.500 . 4.500 3.982 3.742 4.354 . 0 0 "[ . 1 . 2]" 1
784 1 56 LEU HB3 1 57 TYR H 3.650 . 3.650 2.424 2.342 2.488 . 0 0 "[ . 1 . 2]" 1
785 1 53 ALA H 1 54 LYS HB2 5.110 . 5.110 5.064 4.828 5.161 0.051 5 0 "[ . 1 . 2]" 1
786 1 54 LYS H 1 54 LYS HB2 3.210 . 3.210 2.468 2.320 2.569 . 0 0 "[ . 1 . 2]" 1
787 1 11 LEU H 1 12 LEU HG 4.140 . 4.140 4.057 4.021 4.120 . 0 0 "[ . 1 . 2]" 1
788 1 9 ASP H 1 12 LEU HG 5.500 . 5.500 5.500 5.230 5.560 0.060 2 0 "[ . 1 . 2]" 1
789 1 12 LEU H 1 12 LEU HG 3.150 . 3.150 1.955 1.860 2.097 . 0 0 "[ . 1 . 2]" 1
790 1 40 GLN H 1 40 GLN HG3 4.350 . 4.350 4.353 4.223 4.447 0.097 10 0 "[ . 1 . 2]" 1
791 1 40 GLN HE21 1 40 GLN HG3 3.530 . 3.530 2.931 2.866 2.998 . 0 0 "[ . 1 . 2]" 1
792 1 25 LEU H 1 25 LEU HB2 3.170 . 3.170 2.382 2.266 2.484 . 0 0 "[ . 1 . 2]" 1
793 1 25 LEU H 1 25 LEU HB3 3.430 . 3.430 2.596 2.463 2.711 . 0 0 "[ . 1 . 2]" 1
794 1 25 LEU HB3 1 26 MET H 3.420 . 3.420 2.281 2.232 2.352 . 0 0 "[ . 1 . 2]" 1
795 1 33 ALA H 1 35 LEU HB3 4.570 . 4.570 4.509 4.448 4.581 0.011 11 0 "[ . 1 . 2]" 1
796 1 23 ARG HG3 1 24 SER H 3.650 . 3.650 1.888 1.657 2.083 . 0 0 "[ . 1 . 2]" 1
797 1 7 PRO HG3 2 64 PHE H 4.880 . 4.880 4.422 4.101 4.646 . 0 0 "[ . 1 . 2]" 1
798 1 23 ARG H 1 23 ARG HG3 3.120 . 3.120 2.162 1.934 2.464 . 0 0 "[ . 1 . 2]" 1
799 1 35 LEU HB3 1 36 ALA H 3.480 . 3.480 2.612 2.528 2.689 . 0 0 "[ . 1 . 2]" 1
800 1 12 LEU H 1 12 LEU HB3 3.610 . 3.610 3.608 3.589 3.621 0.011 15 0 "[ . 1 . 2]" 1
801 1 37 ALA MB 1 38 LEU H 3.250 . 3.250 2.989 2.875 3.109 . 0 0 "[ . 1 . 2]" 1
802 1 37 ALA H 1 37 ALA MB 2.680 . 2.680 2.268 2.250 2.293 . 0 0 "[ . 1 . 2]" 1
803 1 38 LEU HB3 1 39 SER H 3.960 . 3.960 2.758 2.524 2.923 . 0 0 "[ . 1 . 2]" 1
804 1 51 ALA MB 1 55 GLN HE21 5.000 . 5.000 3.738 2.728 4.845 . 0 0 "[ . 1 . 2]" 1
805 1 51 ALA H 1 51 ALA MB 2.570 . 2.570 2.234 2.172 2.249 . 0 0 "[ . 1 . 2]" 1
806 1 51 ALA MB 1 52 ASN H 2.870 . 2.870 2.324 2.249 2.379 . 0 0 "[ . 1 . 2]" 1
807 1 49 ASN HD21 1 51 ALA MB 4.090 . 4.090 4.103 3.919 4.136 0.046 7 0 "[ . 1 . 2]" 1
808 1 19 ALA MB 1 20 LYS H 3.080 . 3.080 2.897 2.810 2.974 . 0 0 "[ . 1 . 2]" 1
809 1 25 LEU HG 1 26 MET H 4.230 . 4.230 3.669 3.484 3.860 . 0 0 "[ . 1 . 2]" 1
810 1 53 ALA MB 1 56 LEU H 4.930 . 4.930 4.727 4.623 4.816 . 0 0 "[ . 1 . 2]" 1
811 1 40 GLN H 1 40 GLN HB3 3.330 . 3.330 2.986 2.703 3.143 . 0 0 "[ . 1 . 2]" 1
812 1 18 ASN HD21 1 20 LYS HG3 3.790 . 3.790 2.465 2.374 2.688 . 0 0 "[ . 1 . 2]" 1
813 1 40 GLN HE21 1 53 ALA MB 3.670 . 3.670 2.742 2.474 3.161 . 0 0 "[ . 1 . 2]" 1
814 1 53 ALA MB 1 57 TYR H 4.670 . 4.670 4.452 4.349 4.648 . 0 0 "[ . 1 . 2]" 1
815 1 44 THR H 1 53 ALA MB 3.240 . 3.240 2.747 2.633 2.865 . 0 0 "[ . 1 . 2]" 1
816 1 53 ALA H 1 53 ALA MB 2.800 . 2.800 2.216 2.191 2.236 . 0 0 "[ . 1 . 2]" 1
817 1 45 SER H 1 53 ALA MB 4.890 . 4.890 4.643 4.517 4.714 . 0 0 "[ . 1 . 2]" 1
818 1 49 ASN H 1 53 ALA MB 3.890 . 3.890 3.731 3.637 3.850 . 0 0 "[ . 1 . 2]" 1
819 1 64 PHE H 1 65 ALA MB 5.020 . 5.020 4.792 4.547 4.998 . 0 0 "[ . 1 . 2]" 1
820 1 11 LEU H 1 11 LEU HG 2.920 . 2.920 2.023 1.885 2.160 . 0 0 "[ . 1 . 2]" 1
821 1 65 ALA MB 1 66 GLU H 2.960 . 2.960 2.574 1.909 2.969 0.009 5 0 "[ . 1 . 2]" 1
822 1 14 MET H 1 14 MET HB3 3.770 . 3.770 3.609 3.585 3.667 . 0 0 "[ . 1 . 2]" 1
823 1 62 THR MG 1 63 SER H 3.200 . 3.200 3.057 2.814 3.224 0.024 13 0 "[ . 1 . 2]" 1
824 1 36 ALA MB 2 33 ALA H 4.150 . 4.150 3.835 3.566 4.117 . 0 0 "[ . 1 . 2]" 1
825 1 35 LEU H 1 36 ALA MB 4.740 . 4.740 4.561 4.504 4.604 . 0 0 "[ . 1 . 2]" 1
826 1 36 ALA MB 1 38 LEU H 4.850 . 4.850 4.474 4.373 4.577 . 0 0 "[ . 1 . 2]" 1
827 1 36 ALA MB 1 37 ALA H 3.330 . 3.330 3.096 3.057 3.133 . 0 0 "[ . 1 . 2]" 1
828 1 36 ALA H 1 36 ALA MB 2.860 . 2.860 2.266 2.154 2.293 . 0 0 "[ . 1 . 2]" 1
829 1 29 VAL MG1 1 37 ALA H 4.680 . 4.680 4.638 4.539 4.697 0.017 1 0 "[ . 1 . 2]" 1
830 1 29 VAL MG2 1 34 GLU H 5.020 . 5.020 4.376 4.198 4.496 . 0 0 "[ . 1 . 2]" 1
831 1 29 VAL MG1 1 34 GLU H 5.420 . 5.420 4.634 4.549 4.727 . 0 0 "[ . 1 . 2]" 1
832 1 29 VAL MG2 1 31 ASN H 3.670 . 3.670 2.970 2.788 3.112 . 0 0 "[ . 1 . 2]" 1
833 1 56 LEU MD1 1 59 PHE H 5.080 . 5.080 4.473 4.327 4.633 . 0 0 "[ . 1 . 2]" 1
834 1 59 PHE H 1 60 ILE HG13 5.480 . 5.480 4.476 4.275 4.597 . 0 0 "[ . 1 . 2]" 1
835 1 14 MET H 1 56 LEU MD1 4.630 . 4.630 4.507 4.346 4.637 0.007 17 0 "[ . 1 . 2]" 1
836 1 25 LEU H 1 29 VAL MG2 5.500 . 5.500 5.546 5.473 5.605 0.105 13 0 "[ . 1 . 2]" 1
837 1 29 VAL MG2 1 35 LEU H 3.680 . 3.680 3.251 3.042 3.358 . 0 0 "[ . 1 . 2]" 1
838 1 17 VAL H 1 56 LEU MD1 4.800 . 4.800 4.773 4.621 4.835 0.035 3 0 "[ . 1 . 2]" 1
839 1 56 LEU MD1 1 58 ASP H 5.500 . 5.500 5.144 4.940 5.271 . 0 0 "[ . 1 . 2]" 1
840 1 58 ASP H 1 60 ILE HG13 5.500 . 5.500 5.455 5.176 5.538 0.038 14 0 "[ . 1 . 2]" 1
841 1 29 VAL MG2 1 30 LYS H 3.820 . 3.820 3.577 3.390 3.687 . 0 0 "[ . 1 . 2]" 1
842 1 60 ILE H 1 60 ILE HG13 3.750 . 3.750 2.202 1.961 2.359 . 0 0 "[ . 1 . 2]" 1
843 1 28 HIS H 1 29 VAL MG2 3.600 . 3.600 3.519 3.447 3.630 0.030 4 0 "[ . 1 . 2]" 1
844 1 44 THR MG 1 47 LEU H 5.500 . 5.500 5.273 5.142 5.393 . 0 0 "[ . 1 . 2]" 1
845 1 44 THR MG 1 48 GLY H 4.470 . 4.470 4.483 4.238 4.557 0.087 16 0 "[ . 1 . 2]" 1
846 1 44 THR MG 1 51 ALA H 5.140 . 5.140 4.643 4.521 4.725 . 0 0 "[ . 1 . 2]" 1
847 1 44 THR MG 1 45 SER H 4.150 . 4.150 4.213 4.167 4.246 0.096 8 0 "[ . 1 . 2]" 1
848 1 44 THR MG 1 49 ASN H 3.920 . 3.920 3.459 3.268 3.668 . 0 0 "[ . 1 . 2]" 1
849 1 32 ILE H 1 32 ILE HG13 4.100 . 4.100 3.315 3.268 3.380 . 0 0 "[ . 1 . 2]" 1
850 1 43 LEU H 1 43 LEU MD2 4.860 . 4.860 2.317 2.188 2.435 . 0 0 "[ . 1 . 2]" 1
851 1 38 LEU QD 1 47 LEU H 5.500 . 5.500 5.151 5.012 5.283 . 0 0 "[ . 1 . 2]" 1
852 1 56 LEU HG 1 57 TYR H 3.920 . 3.920 3.438 3.245 3.628 . 0 0 "[ . 1 . 2]" 1
853 1 12 LEU MD1 1 13 LYS H 5.290 . 5.290 4.889 4.722 5.048 . 0 0 "[ . 1 . 2]" 1
854 1 12 LEU H 1 12 LEU MD1 3.960 . 3.960 3.349 3.273 3.544 . 0 0 "[ . 1 . 2]" 1
855 1 8 GLN HE21 1 12 LEU MD1 4.490 . 4.490 2.330 2.145 2.548 . 0 0 "[ . 1 . 2]" 1
856 1 33 ALA H 1 33 ALA MB 2.920 . 2.920 2.222 2.177 2.239 . 0 0 "[ . 1 . 2]" 1
857 1 40 GLN HB2 1 41 ASP H 4.030 . 4.030 3.544 3.417 3.703 . 0 0 "[ . 1 . 2]" 1
858 1 33 ALA MB 1 37 ALA H 5.330 . 5.330 5.139 5.073 5.191 . 0 0 "[ . 1 . 2]" 1
859 1 37 ALA H 1 38 LEU QD 5.500 . 5.500 4.267 4.185 4.344 . 0 0 "[ . 1 . 2]" 1
860 1 31 ASN HD22 1 33 ALA MB 4.630 . 4.630 4.069 3.911 4.208 . 0 0 "[ . 1 . 2]" 1
861 1 11 LEU H 1 12 LEU MD2 5.410 . 5.410 5.117 4.767 5.267 . 0 0 "[ . 1 . 2]" 1
862 1 17 VAL QG 1 18 ASN H . . 2.940 2.121 1.852 2.258 . 0 0 "[ . 1 . 2]" 1
863 1 12 LEU MD2 1 22 CYS H 3.870 . 3.870 3.853 3.767 3.919 0.049 6 0 "[ . 1 . 2]" 1
864 1 32 ILE H 1 32 ILE MG 4.070 . 4.070 3.741 3.723 3.761 . 0 0 "[ . 1 . 2]" 1
865 1 12 LEU MD2 1 19 ALA H 4.350 . 4.350 3.153 2.935 3.451 . 0 0 "[ . 1 . 2]" 1
866 1 12 LEU MD2 1 21 ASN H 4.960 . 4.960 4.901 4.737 4.993 0.033 18 0 "[ . 1 . 2]" 1
867 1 13 LYS H 1 17 VAL QG 5.500 . 5.500 4.185 3.268 4.460 . 0 0 "[ . 1 . 2]" 1
868 1 11 LEU H 1 25 LEU MD2 5.500 . 5.500 4.997 4.903 5.208 . 0 0 "[ . 1 . 2]" 1
869 1 21 ASN HD22 1 47 LEU MD1 4.490 . 4.490 3.015 2.754 3.642 . 0 0 "[ . 1 . 2]" 1
870 1 28 HIS H 1 46 ILE MG 4.100 . 4.100 3.865 3.731 3.964 . 0 0 "[ . 1 . 2]" 1
871 1 25 LEU MD2 1 26 MET H 4.400 . 4.400 4.105 3.930 4.232 . 0 0 "[ . 1 . 2]" 1
872 1 46 ILE H 1 46 ILE MG 3.960 . 3.960 3.799 3.761 3.830 . 0 0 "[ . 1 . 2]" 1
873 1 45 SER H 1 46 ILE MD 4.460 . 4.460 4.477 4.381 4.525 0.065 6 0 "[ . 1 . 2]" 1
874 1 46 ILE MG 1 47 LEU H 3.370 . 3.370 3.380 3.253 3.427 0.057 11 0 "[ . 1 . 2]" 1
875 1 14 MET H 1 17 VAL QG . . 3.750 3.342 2.004 3.660 . 0 0 "[ . 1 . 2]" 1
876 1 60 ILE MG 1 61 HIS H 4.210 . 4.210 3.497 3.232 3.719 . 0 0 "[ . 1 . 2]" 1
877 1 33 ALA H 1 34 GLU H 3.370 . 3.370 2.953 2.929 2.979 . 0 0 "[ . 1 . 2]" 1
878 1 25 LEU H 1 26 MET ME 5.020 . 5.020 5.002 4.858 5.066 0.046 17 0 "[ . 1 . 2]" 1
879 1 24 SER HB3 1 25 LEU H 3.300 . 3.300 3.192 2.684 3.374 0.074 4 0 "[ . 1 . 2]" 1
880 1 58 ASP H 1 58 ASP HB2 3.390 . 3.390 2.333 2.145 2.595 . 0 0 "[ . 1 . 2]" 1
881 1 38 LEU HB2 1 39 SER H 4.140 . 4.140 3.891 3.740 4.019 . 0 0 "[ . 1 . 2]" 1
882 1 14 MET H 1 17 VAL HB 4.480 . 4.480 3.427 3.115 4.008 . 0 0 "[ . 1 . 2]" 1
883 1 14 MET H 1 14 MET HG3 3.570 . 3.570 3.392 3.201 3.586 0.016 16 0 "[ . 1 . 2]" 1
884 1 34 GLU HB2 1 35 LEU H 2.980 . 2.980 2.973 2.899 3.008 0.028 15 0 "[ . 1 . 2]" 1
885 1 23 ARG H 1 23 ARG HB3 3.080 . 3.080 2.643 2.542 2.744 . 0 0 "[ . 1 . 2]" 1
886 1 23 ARG H 1 23 ARG HG2 3.470 . 3.470 2.864 2.362 3.132 . 0 0 "[ . 1 . 2]" 1
887 1 23 ARG HA 1 24 SER H 3.560 . 3.560 3.515 3.485 3.549 . 0 0 "[ . 1 . 2]" 1
888 1 23 ARG HG2 1 24 SER H 3.810 . 3.810 3.579 3.333 3.788 . 0 0 "[ . 1 . 2]" 1
889 1 26 MET H 1 28 HIS H 4.250 . 4.250 3.940 3.893 4.019 . 0 0 "[ . 1 . 2]" 1
890 1 21 ASN H 1 21 ASN HD22 5.020 . 5.020 4.352 4.062 4.557 . 0 0 "[ . 1 . 2]" 1
891 1 21 ASN H 1 23 ARG H 5.410 . 5.410 4.425 4.254 4.646 . 0 0 "[ . 1 . 2]" 1
892 1 18 ASN HD21 1 22 CYS H 4.700 . 4.700 4.359 4.123 4.483 . 0 0 "[ . 1 . 2]" 1
893 1 22 CYS H 1 24 SER H 5.080 . 5.080 4.201 3.921 4.492 . 0 0 "[ . 1 . 2]" 1
894 1 18 ASN HD21 1 52 ASN HD22 4.700 . 4.700 4.529 4.217 4.696 . 0 0 "[ . 1 . 2]" 1
895 1 24 SER HA 1 27 HIS H 3.830 . 3.830 3.420 3.269 3.553 . 0 0 "[ . 1 . 2]" 1
896 1 21 ASN HA 1 24 SER H 4.070 . 4.070 3.312 3.156 3.534 . 0 0 "[ . 1 . 2]" 1
897 1 41 ASP HB3 1 42 GLU H 3.900 . 3.900 2.801 2.353 4.013 0.113 18 0 "[ . 1 . 2]" 1
898 1 40 GLN HB3 1 41 ASP H 3.530 . 3.530 2.743 2.487 2.905 . 0 0 "[ . 1 . 2]" 1
899 1 42 GLU HB3 1 43 LEU H 3.980 . 3.980 3.146 2.848 3.500 . 0 0 "[ . 1 . 2]" 1
900 1 49 ASN H 1 52 ASN HB3 4.960 . 4.960 4.867 4.733 4.973 0.013 20 0 "[ . 1 . 2]" 1
901 1 49 ASN H 1 50 ALA HA 5.450 . 5.450 4.613 4.563 4.685 . 0 0 "[ . 1 . 2]" 1
902 1 44 THR H 1 45 SER HA 5.300 . 5.300 5.243 5.171 5.290 . 0 0 "[ . 1 . 2]" 1
903 1 43 LEU HB3 1 44 THR H 3.800 . 3.800 3.230 3.151 3.384 . 0 0 "[ . 1 . 2]" 1
904 1 43 LEU HB2 1 44 THR H 3.660 . 3.660 2.797 2.720 2.916 . 0 0 "[ . 1 . 2]" 1
905 1 54 LYS HA 1 57 TYR H 4.210 . 4.210 3.746 3.554 3.881 . 0 0 "[ . 1 . 2]" 1
906 1 16 GLY HA3 1 56 LEU H 4.060 . 4.060 2.770 2.560 2.920 . 0 0 "[ . 1 . 2]" 1
907 1 56 LEU H 1 56 LEU HB2 3.370 . 3.370 2.634 2.544 2.757 . 0 0 "[ . 1 . 2]" 1
908 1 55 GLN H 1 56 LEU H 3.380 . 3.380 2.728 2.567 2.794 . 0 0 "[ . 1 . 2]" 1
909 1 27 HIS H 1 27 HIS HD2 3.880 . 3.880 3.200 3.008 3.445 . 0 0 "[ . 1 . 2]" 1
910 1 51 ALA H 1 53 ALA H 3.870 . 3.870 3.911 3.883 3.931 0.061 12 0 "[ . 1 . 2]" 1
911 1 49 ASN H 1 51 ALA H 5.500 . 5.500 5.543 5.529 5.573 0.073 14 0 "[ . 1 . 2]" 1
912 1 49 ASN H 1 52 ASN H 5.060 . 5.060 5.043 4.984 5.080 0.020 14 0 "[ . 1 . 2]" 1
913 1 59 PHE HB3 1 60 ILE H 3.960 . 3.960 2.568 2.471 2.664 . 0 0 "[ . 1 . 2]" 1
914 1 63 SER H 1 63 SER HB3 3.730 . 3.730 3.410 2.782 3.593 . 0 0 "[ . 1 . 2]" 1
915 1 31 ASN HA 2 64 PHE H 3.820 . 3.820 3.765 3.526 3.897 0.077 13 0 "[ . 1 . 2]" 1
916 1 66 GLU H 1 66 GLU HB2 3.630 . 3.630 2.511 2.130 3.584 . 0 0 "[ . 1 . 2]" 1
917 1 64 PHE QD 1 65 ALA H 4.450 . 4.450 3.857 3.548 4.208 . 0 0 "[ . 1 . 2]" 1
918 1 34 GLU HB3 1 35 LEU H 3.670 . 3.670 3.672 3.640 3.716 0.046 3 0 "[ . 1 . 2]" 1
919 1 20 LYS HA 1 23 ARG H 5.070 . 5.070 4.453 4.242 4.633 . 0 0 "[ . 1 . 2]" 1
920 1 34 GLU H 1 34 GLU HB3 3.670 . 3.670 3.534 3.507 3.568 . 0 0 "[ . 1 . 2]" 1
921 1 31 ASN HD22 1 33 ALA H 5.130 . 5.130 4.698 4.563 4.836 . 0 0 "[ . 1 . 2]" 1
922 1 31 ASN H 1 33 ALA H 4.580 . 4.580 3.862 3.825 3.922 . 0 0 "[ . 1 . 2]" 1
923 1 33 ALA H 1 36 ALA H 5.080 . 5.080 4.943 4.874 5.016 . 0 0 "[ . 1 . 2]" 1
924 1 31 ASN HD22 1 32 ILE H 4.760 . 4.760 4.764 4.620 4.804 0.044 11 0 "[ . 1 . 2]" 1
925 1 10 PHE HA 1 13 LYS H 4.130 . 4.130 3.500 3.411 3.571 . 0 0 "[ . 1 . 2]" 1
926 1 49 ASN HA 1 49 ASN HD22 4.050 . 4.050 3.747 3.674 3.803 . 0 0 "[ . 1 . 2]" 1
927 1 49 ASN HA 1 49 ASN HD21 4.440 . 4.440 2.415 2.241 2.502 . 0 0 "[ . 1 . 2]" 1
928 1 49 ASN H 1 49 ASN HD21 5.010 . 5.010 4.966 4.850 5.024 0.014 19 0 "[ . 1 . 2]" 1
929 1 40 GLN HE22 1 54 LYS HA 4.310 . 4.310 3.780 3.333 4.074 . 0 0 "[ . 1 . 2]" 1
930 1 40 GLN HE22 1 40 GLN HG2 3.900 . 3.900 3.481 3.463 3.503 . 0 0 "[ . 1 . 2]" 1
931 1 40 GLN HE22 1 54 LYS HB3 4.880 . 4.880 4.745 4.458 4.918 0.038 10 0 "[ . 1 . 2]" 1
932 1 40 GLN HE22 1 40 GLN HG3 3.900 . 3.900 3.786 3.758 3.818 . 0 0 "[ . 1 . 2]" 1
933 1 40 GLN HE22 1 53 ALA MB 3.740 . 3.740 2.760 2.403 3.811 0.071 9 0 "[ . 1 . 2]" 1
934 1 40 GLN HB2 1 40 GLN HE21 4.680 . 4.680 4.599 4.567 4.615 . 0 0 "[ . 1 . 2]" 1
935 1 40 GLN HE22 1 54 LYS HB2 3.920 . 3.920 3.160 2.852 3.372 . 0 0 "[ . 1 . 2]" 1
936 1 55 GLN HB3 1 55 GLN HE21 4.350 . 4.350 2.814 2.131 3.825 . 0 0 "[ . 1 . 2]" 1
937 1 18 ASN HD22 1 52 ASN HD21 4.190 . 4.190 4.103 3.671 4.233 0.043 1 0 "[ . 1 . 2]" 1
938 1 10 PHE H 1 12 LEU HG 5.500 . 5.500 5.524 5.368 5.584 0.084 17 0 "[ . 1 . 2]" 1
939 1 8 GLN HB3 1 9 ASP H 4.000 . 4.000 2.559 2.454 2.676 . 0 0 "[ . 1 . 2]" 1
940 1 7 PRO HG2 1 8 GLN H 4.290 . 4.290 2.449 2.349 2.560 . 0 0 "[ . 1 . 2]" 1
941 1 7 PRO HB2 1 8 GLN H 4.320 . 4.320 3.362 3.262 3.492 . 0 0 "[ . 1 . 2]" 1
942 1 4 ASN HD21 1 6 GLY H 4.870 . 4.870 4.626 2.240 4.958 0.088 10 0 "[ . 1 . 2]" 1
943 1 19 ALA HA 1 21 ASN H 4.690 . 4.690 4.506 4.334 4.752 0.062 6 0 "[ . 1 . 2]" 1
944 1 21 ASN H 1 21 ASN HD21 5.020 . 5.020 4.487 4.125 4.665 . 0 0 "[ . 1 . 2]" 1
945 1 54 LYS HB3 1 55 GLN H 3.310 . 3.310 2.549 2.378 2.746 . 0 0 "[ . 1 . 2]" 1
946 1 30 LYS H 1 30 LYS HB3 3.670 . 3.670 2.669 2.595 2.743 . 0 0 "[ . 1 . 2]" 1
947 1 28 HIS H 1 28 HIS HB2 3.390 . 3.390 2.467 2.238 2.713 . 0 0 "[ . 1 . 2]" 1
948 1 22 CYS H 1 25 LEU H 4.900 . 4.900 4.663 4.536 4.833 . 0 0 "[ . 1 . 2]" 1
949 1 46 ILE H 1 46 ILE HB 3.110 . 3.110 2.548 2.444 2.617 . 0 0 "[ . 1 . 2]" 1
950 1 4 ASN H 1 5 PRO HD2 4.910 . 4.910 4.788 4.708 4.841 . 0 0 "[ . 1 . 2]" 1
951 1 4 ASN H 1 4 ASN HD22 4.790 . 4.790 4.475 3.891 4.677 . 0 0 "[ . 1 . 2]" 1
952 1 18 ASN H 1 19 ALA HA 5.110 . 5.110 4.867 4.705 4.954 . 0 0 "[ . 1 . 2]" 1
953 1 12 LEU H 1 13 LYS H 3.500 . 3.500 2.599 2.535 2.659 . 0 0 "[ . 1 . 2]" 1
954 1 32 ILE H 1 33 ALA MB 4.370 . 4.370 4.202 4.111 4.243 . 0 0 "[ . 1 . 2]" 1
955 1 46 ILE HB 1 47 LEU H 3.330 . 3.330 2.391 2.184 2.480 . 0 0 "[ . 1 . 2]" 1
956 1 39 SER H 1 43 LEU H 4.770 . 4.770 3.826 3.703 4.010 . 0 0 "[ . 1 . 2]" 1
957 1 41 ASP H 1 43 LEU H 4.030 . 4.030 4.060 3.967 4.109 0.079 13 0 "[ . 1 . 2]" 1
958 1 43 LEU H 1 43 LEU HB3 3.550 . 3.550 3.536 3.492 3.561 0.011 12 0 "[ . 1 . 2]" 1
959 1 30 LYS HB3 1 31 ASN H 3.850 . 3.850 3.843 3.812 3.864 0.014 18 0 "[ . 1 . 2]" 1
960 1 30 LYS H 1 30 LYS HE2 5.500 . 5.500 5.517 5.381 5.616 0.116 18 0 "[ . 1 . 2]" 1
961 1 30 LYS H 1 30 LYS HE3 5.500 . 5.500 4.975 4.806 5.169 . 0 0 "[ . 1 . 2]" 1
962 1 30 LYS H 1 31 ASN HA 5.500 . 5.500 5.011 4.973 5.059 . 0 0 "[ . 1 . 2]" 1
963 1 30 LYS H 1 30 LYS HG2 3.730 . 3.730 1.931 1.839 2.043 . 0 0 "[ . 1 . 2]" 1
964 1 30 LYS H 1 30 LYS HG3 3.730 . 3.730 3.374 3.249 3.501 . 0 0 "[ . 1 . 2]" 1
965 1 65 ALA HA 1 66 GLU H 2.760 . 2.760 2.290 2.092 2.704 . 0 0 "[ . 1 . 2]" 1
966 1 15 PRO HG2 1 59 PHE H 4.310 . 4.310 3.994 3.576 4.352 0.042 6 0 "[ . 1 . 2]" 1
967 1 60 ILE MD 1 61 HIS H 4.550 . 4.550 4.614 4.561 4.664 0.114 19 0 "[ . 1 . 2]" 1
968 1 44 THR MG 1 54 LYS H 4.740 . 4.740 4.233 4.076 4.476 . 0 0 "[ . 1 . 2]" 1
969 1 53 ALA MB 1 54 LYS H 3.110 . 3.110 2.324 2.262 2.394 . 0 0 "[ . 1 . 2]" 1
970 1 56 LEU HB2 1 57 TYR H 3.950 . 3.950 3.812 3.743 3.881 . 0 0 "[ . 1 . 2]" 1
971 1 46 ILE H 1 46 ILE HG12 4.260 . 4.260 3.799 3.655 3.903 . 0 0 "[ . 1 . 2]" 1
972 1 21 ASN HD22 1 52 ASN HB3 4.720 . 4.720 2.918 2.716 3.231 . 0 0 "[ . 1 . 2]" 1
973 1 18 ASN H 1 20 LYS HG3 5.500 . 5.500 5.020 4.708 5.551 0.051 10 0 "[ . 1 . 2]" 1
974 1 6 GLY H 1 7 PRO HD3 4.440 . 4.440 3.794 3.606 3.989 . 0 0 "[ . 1 . 2]" 1
975 1 6 GLY H 1 7 PRO HD2 4.260 . 4.260 2.404 2.211 2.683 . 0 0 "[ . 1 . 2]" 1
976 1 47 LEU HB3 1 48 GLY H 3.790 . 3.790 3.879 3.837 3.941 0.151 10 0 "[ . 1 . 2]" 1
977 1 27 HIS H 1 27 HIS HB2 2.790 . 2.790 2.164 2.117 2.207 . 0 0 "[ . 1 . 2]" 1
978 1 62 THR HB 1 63 SER H 4.560 . 4.560 4.402 4.261 4.462 . 0 0 "[ . 1 . 2]" 1
979 1 44 THR HB 1 49 ASN H 4.700 . 4.700 4.785 4.744 4.828 0.128 8 0 "[ . 1 . 2]" 1
980 1 39 SER HB3 1 40 GLN H 3.740 . 3.740 2.893 2.392 3.765 0.025 20 0 "[ . 1 . 2]" 1
981 1 39 SER HB2 1 42 GLU H 5.270 . 5.270 2.987 2.214 4.302 . 0 0 "[ . 1 . 2]" 1
982 1 39 SER HB3 1 42 GLU H 5.270 . 5.270 3.778 2.572 4.381 . 0 0 "[ . 1 . 2]" 1
983 1 39 SER H 1 39 SER HB2 3.970 . 3.970 2.859 2.509 3.638 . 0 0 "[ . 1 . 2]" 1
984 1 21 ASN H 1 22 CYS HA 4.920 . 4.920 4.726 4.619 4.856 . 0 0 "[ . 1 . 2]" 1
985 1 40 GLN HA 1 40 GLN HE21 4.600 . 4.600 3.929 3.670 4.420 . 0 0 "[ . 1 . 2]" 1
986 1 54 LYS HA 1 58 ASP H 4.320 . 4.320 3.873 3.668 4.064 . 0 0 "[ . 1 . 2]" 1
987 1 26 MET HA 1 28 HIS H 3.760 . 3.760 3.797 3.689 3.844 0.084 20 0 "[ . 1 . 2]" 1
988 1 35 LEU HA 1 38 LEU H 4.560 . 4.560 3.949 3.817 4.031 . 0 0 "[ . 1 . 2]" 1
989 1 41 ASP HA 1 44 THR H 3.990 . 3.990 3.700 3.513 3.870 . 0 0 "[ . 1 . 2]" 1
990 1 41 ASP HA 1 45 SER H 5.150 . 5.150 4.601 4.375 4.975 . 0 0 "[ . 1 . 2]" 1
991 1 33 ALA HA 1 37 ALA H 4.820 . 4.820 4.785 4.695 4.844 0.024 18 0 "[ . 1 . 2]" 1
992 1 51 ALA HA 1 54 LYS H 3.690 . 3.690 3.615 3.472 3.701 0.011 6 0 "[ . 1 . 2]" 1
993 1 38 LEU HB3 1 42 GLU H 5.070 . 5.070 4.837 4.640 5.042 . 0 0 "[ . 1 . 2]" 1
994 1 38 LEU H 1 38 LEU HB2 3.340 . 3.340 2.457 2.416 2.520 . 0 0 "[ . 1 . 2]" 1
995 1 37 ALA H 1 38 LEU HB2 4.840 . 4.840 4.626 4.543 4.687 . 0 0 "[ . 1 . 2]" 1
996 1 35 LEU H 1 35 LEU HB3 3.360 . 3.360 2.264 2.226 2.294 . 0 0 "[ . 1 . 2]" 1
997 1 11 LEU H 1 11 LEU HB2 3.710 . 3.710 2.642 2.556 2.756 . 0 0 "[ . 1 . 2]" 1
998 1 47 LEU H 1 47 LEU HB3 4.040 . 4.040 3.578 3.552 3.605 . 0 0 "[ . 1 . 2]" 1
999 1 11 LEU HB2 1 12 LEU H 3.480 . 3.480 2.441 2.313 2.557 . 0 0 "[ . 1 . 2]" 1
1000 1 49 ASN HB2 1 51 ALA H 5.160 . 5.160 4.826 4.770 4.880 . 0 0 "[ . 1 . 2]" 1
1001 1 49 ASN HB3 1 52 ASN H 3.970 . 3.970 3.099 3.030 3.176 . 0 0 "[ . 1 . 2]" 1
1002 1 12 LEU HB2 1 13 LYS H 3.900 . 3.900 3.461 3.293 3.553 . 0 0 "[ . 1 . 2]" 1
1003 1 47 LEU HB3 1 49 ASN H 3.400 . 3.400 3.474 3.434 3.511 0.111 18 0 "[ . 1 . 2]" 1
1004 1 49 ASN H 1 49 ASN HB3 3.540 . 3.540 2.895 2.810 2.966 . 0 0 "[ . 1 . 2]" 1
1005 1 9 ASP H 1 9 ASP HB2 3.340 . 3.340 2.409 2.152 2.540 . 0 0 "[ . 1 . 2]" 1
1006 1 41 ASP H 1 41 ASP HB2 3.590 . 3.590 2.553 2.301 3.379 . 0 0 "[ . 1 . 2]" 1
1007 1 31 ASN HB2 1 33 ALA H 4.360 . 4.360 3.618 3.547 3.693 . 0 0 "[ . 1 . 2]" 1
1008 1 64 PHE HB3 1 65 ALA H 4.180 . 4.180 3.732 3.491 3.943 . 0 0 "[ . 1 . 2]" 1
1009 1 10 PHE H 1 10 PHE HB2 3.600 . 3.600 2.063 2.045 2.102 . 0 0 "[ . 1 . 2]" 1
1010 1 59 PHE H 1 59 PHE HB2 3.320 . 3.320 2.366 2.298 2.417 . 0 0 "[ . 1 . 2]" 1
1011 1 4 ASN H 1 4 ASN HB2 3.610 . 3.610 2.497 2.298 3.582 . 0 0 "[ . 1 . 2]" 1
1012 1 52 ASN H 1 52 ASN HB2 3.310 . 3.310 2.138 2.055 2.165 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ILE HB 1 61 HIS H 4.330 . 4.330 2.836 2.781 2.890 . 0 0 "[ . 1 . 2]" 1
1014 1 34 GLU H 1 34 GLU HG2 3.260 . 3.260 2.702 2.556 2.809 . 0 0 "[ . 1 . 2]" 1
1015 1 31 ASN H 1 34 GLU HG3 4.410 . 4.410 4.198 4.072 4.274 . 0 0 "[ . 1 . 2]" 1
1016 1 30 LYS H 1 34 GLU HG3 4.560 . 4.560 2.036 1.916 2.098 . 0 0 "[ . 1 . 2]" 1
1017 1 29 VAL HB 1 30 LYS H 3.560 . 3.560 2.799 2.613 2.950 . 0 0 "[ . 1 . 2]" 1
1018 1 29 VAL HB 1 34 GLU H 4.350 . 4.350 3.494 3.437 3.529 . 0 0 "[ . 1 . 2]" 1
1019 1 29 VAL H 1 29 VAL HB 3.880 . 3.880 3.838 3.782 3.877 . 0 0 "[ . 1 . 2]" 1
1020 1 55 GLN H 1 55 GLN HG3 3.470 . 3.470 2.755 2.447 3.212 . 0 0 "[ . 1 . 2]" 1
1021 1 30 LYS HB2 1 31 ASN H 3.850 . 3.850 3.506 3.446 3.559 . 0 0 "[ . 1 . 2]" 1
1022 1 8 GLN H 1 8 GLN HG2 4.740 . 4.740 4.422 4.409 4.441 . 0 0 "[ . 1 . 2]" 1
1023 1 8 GLN H 1 8 GLN HG3 5.140 . 5.140 4.621 4.598 4.648 . 0 0 "[ . 1 . 2]" 1
1024 1 26 MET H 1 26 MET HG2 3.430 . 3.430 1.863 1.780 2.004 . 0 0 "[ . 1 . 2]" 1
1025 1 5 PRO HB2 1 6 GLY H 3.990 . 3.990 4.043 3.979 4.085 0.095 1 0 "[ . 1 . 2]" 1
1026 1 15 PRO HB2 1 16 GLY H 3.960 . 3.960 3.889 3.618 4.048 0.088 12 0 "[ . 1 . 2]" 1
1027 1 17 VAL H 1 17 VAL HB 3.320 . 3.320 2.910 2.807 3.237 . 0 0 "[ . 1 . 2]" 1
1028 1 32 ILE HG12 1 33 ALA H 4.380 . 4.380 3.883 3.824 3.945 . 0 0 "[ . 1 . 2]" 1
1029 1 54 LYS H 1 55 GLN HB2 4.790 . 4.790 4.640 4.521 4.728 . 0 0 "[ . 1 . 2]" 1
1030 1 61 HIS H 1 61 HIS HB2 3.830 . 3.830 2.606 2.411 3.769 . 0 0 "[ . 1 . 2]" 1
1031 1 15 PRO HG2 1 16 GLY H 4.520 . 4.520 3.147 2.735 3.422 . 0 0 "[ . 1 . 2]" 1
1032 1 40 GLN H 1 40 GLN HB2 3.290 . 3.290 2.157 2.093 2.296 . 0 0 "[ . 1 . 2]" 1
1033 1 8 GLN H 1 8 GLN HB2 3.960 . 3.960 2.630 2.569 2.710 . 0 0 "[ . 1 . 2]" 1
1034 1 8 GLN HE21 1 12 LEU HG 4.850 . 4.850 3.245 2.868 3.603 . 0 0 "[ . 1 . 2]" 1
1035 1 56 LEU H 1 56 LEU HG 4.630 . 4.630 4.425 4.322 4.486 . 0 0 "[ . 1 . 2]" 1
1036 1 22 CYS H 1 22 CYS HB3 3.610 . 3.610 2.717 2.597 2.781 . 0 0 "[ . 1 . 2]" 1
1037 1 20 LYS HG2 1 21 ASN H 4.590 . 4.590 2.154 2.044 2.307 . 0 0 "[ . 1 . 2]" 1
1038 1 20 LYS H 1 20 LYS HG2 3.670 . 3.670 1.963 1.863 2.138 . 0 0 "[ . 1 . 2]" 1
1039 1 12 LEU MD2 1 13 LYS H 5.200 . 5.200 4.797 4.565 4.884 . 0 0 "[ . 1 . 2]" 1
1040 1 12 LEU MD2 1 18 ASN H 3.930 . 3.930 3.502 3.346 3.586 . 0 0 "[ . 1 . 2]" 1
1041 1 22 CYS HA 1 26 MET H 4.560 . 4.560 3.849 3.735 3.953 . 0 0 "[ . 1 . 2]" 1
1042 1 31 ASN HA 1 33 ALA H 5.500 . 5.500 4.820 4.764 4.894 . 0 0 "[ . 1 . 2]" 1
1043 1 47 LEU HA 1 49 ASN H 4.730 . 4.730 4.509 4.435 4.597 . 0 0 "[ . 1 . 2]" 1
1044 1 47 LEU HG 1 48 GLY H 4.960 . 4.960 4.202 4.099 4.337 . 0 0 "[ . 1 . 2]" 1
1045 1 61 HIS HB2 1 62 THR H 5.450 . 5.450 4.204 3.944 4.555 . 0 0 "[ . 1 . 2]" 1
1046 1 61 HIS HB3 1 62 THR H 5.450 . 5.450 4.137 3.581 4.468 . 0 0 "[ . 1 . 2]" 1
1047 1 56 LEU H 1 56 LEU MD1 4.650 . 4.650 4.150 4.098 4.209 . 0 0 "[ . 1 . 2]" 1
1048 1 43 LEU H 1 53 ALA MB 4.660 . 4.660 4.082 3.984 4.157 . 0 0 "[ . 1 . 2]" 1
1049 1 40 GLN HB3 1 42 GLU H 5.370 . 5.370 5.069 4.693 5.284 . 0 0 "[ . 1 . 2]" 1
1050 1 39 SER HB2 1 41 ASP H 4.750 . 4.750 3.205 2.320 4.493 . 0 0 "[ . 1 . 2]" 1
1051 1 39 SER HB3 1 41 ASP H 4.750 . 4.750 3.404 2.844 4.410 . 0 0 "[ . 1 . 2]" 1
1052 1 52 ASN H 1 53 ALA MB 4.470 . 4.470 4.310 4.235 4.375 . 0 0 "[ . 1 . 2]" 1
1053 1 14 MET H 1 15 PRO HD2 5.380 . 5.380 4.887 4.805 4.955 . 0 0 "[ . 1 . 2]" 1
1054 1 14 MET H 1 15 PRO HD3 5.500 . 5.500 5.029 4.952 5.116 . 0 0 "[ . 1 . 2]" 1
1055 1 12 LEU HG 1 13 LYS H 4.680 . 4.680 4.325 4.188 4.489 . 0 0 "[ . 1 . 2]" 1
1056 1 13 LYS H 1 14 MET HB2 5.500 . 5.500 4.648 4.529 4.794 . 0 0 "[ . 1 . 2]" 1
1057 1 13 LYS H 1 17 VAL HB 5.500 . 5.500 4.771 4.506 5.585 0.085 10 0 "[ . 1 . 2]" 1
1058 1 55 GLN HG3 1 56 LEU H 5.500 . 5.500 4.685 4.564 4.825 . 0 0 "[ . 1 . 2]" 1
1059 1 56 LEU H 1 58 ASP HB2 5.500 . 5.500 5.136 4.697 5.520 0.020 17 0 "[ . 1 . 2]" 1
1060 1 56 LEU H 1 58 ASP HB3 5.500 . 5.500 5.262 4.798 5.552 0.052 19 0 "[ . 1 . 2]" 1
1061 1 5 PRO HG2 1 6 GLY H 4.790 . 4.790 3.593 3.469 3.716 . 0 0 "[ . 1 . 2]" 1
1062 1 26 MET H 1 27 HIS HB2 4.620 . 4.620 4.529 4.449 4.643 0.023 1 0 "[ . 1 . 2]" 1
1063 1 10 PHE HZ 2 10 PHE HA 4.130 . 4.130 3.858 3.410 4.146 0.016 20 0 "[ . 1 . 2]" 1
1064 1 40 GLN HE21 1 54 LYS HB2 2.730 . 2.730 2.677 2.509 2.766 0.036 3 0 "[ . 1 . 2]" 1
1065 1 64 PHE HA 2 3 TYR QD 4.950 . 4.950 4.059 3.661 4.514 . 0 0 "[ . 1 . 2]" 1
1066 1 65 ALA HA 2 3 TYR QD 5.210 . 5.210 4.326 3.930 4.780 . 0 0 "[ . 1 . 2]" 1
1067 1 26 MET HA 2 64 PHE QD 4.350 . 4.350 3.420 3.223 3.627 . 0 0 "[ . 1 . 2]" 1
1068 1 59 PHE QD 1 62 THR HB 4.390 . 4.390 4.234 4.037 4.395 0.005 9 0 "[ . 1 . 2]" 1
1069 1 39 SER H 1 43 LEU HA 5.500 . 5.500 5.628 5.540 5.683 0.183 19 0 "[ . 1 . 2]" 1
1070 1 39 SER H 1 42 GLU HA 5.070 . 5.070 4.697 4.519 5.005 . 0 0 "[ . 1 . 2]" 1
1071 1 63 SER H 1 63 SER HB2 3.730 . 3.730 2.892 2.458 3.533 . 0 0 "[ . 1 . 2]" 1
1072 1 45 SER HA 1 47 LEU H 5.500 . 5.500 5.024 4.913 5.170 . 0 0 "[ . 1 . 2]" 1
1073 1 30 LYS H 1 34 GLU HA 4.670 . 4.670 4.562 4.525 4.604 . 0 0 "[ . 1 . 2]" 1
1074 1 50 ALA HA 1 51 ALA H 3.540 . 3.540 3.532 3.525 3.542 0.002 8 0 "[ . 1 . 2]" 1
1075 1 43 LEU HA 1 44 THR H 3.550 . 3.550 3.561 3.533 3.579 0.029 1 0 "[ . 1 . 2]" 1
1076 1 51 ALA HA 1 53 ALA H 4.300 . 4.300 4.337 4.313 4.364 0.064 10 0 "[ . 1 . 2]" 1
1077 1 42 GLU HA 1 45 SER H 3.830 . 3.830 3.447 3.210 3.550 . 0 0 "[ . 1 . 2]" 1
1078 1 27 HIS HA 1 27 HIS HD2 4.340 . 4.340 3.090 2.872 3.384 . 0 0 "[ . 1 . 2]" 1
1079 1 61 HIS H 1 62 THR HA 4.800 . 4.800 4.672 4.565 4.798 . 0 0 "[ . 1 . 2]" 1
1080 1 61 HIS H 1 62 THR HB 4.560 . 4.560 4.609 4.484 4.659 0.099 12 0 "[ . 1 . 2]" 1
1081 1 52 ASN HA 1 55 GLN HE21 4.310 . 4.310 2.443 1.937 3.900 . 0 0 "[ . 1 . 2]" 1
1082 1 34 GLU HA 1 38 LEU H 4.410 . 4.410 4.362 4.144 4.456 0.046 14 0 "[ . 1 . 2]" 1
1083 1 11 LEU HA 1 13 LYS H 4.190 . 4.190 3.838 3.726 3.963 . 0 0 "[ . 1 . 2]" 1
1084 1 30 LYS HA 1 31 ASN HD21 4.020 . 4.020 4.184 4.141 4.265 0.245 4 0 "[ . 1 . 2]" 1
1085 1 31 ASN HD21 2 63 SER HB2 4.890 . 4.890 4.458 3.837 4.908 0.018 1 0 "[ . 1 . 2]" 1
1086 1 64 PHE QD 2 8 GLN HA 3.670 . 3.670 2.290 2.024 2.607 . 0 0 "[ . 1 . 2]" 1
1087 1 59 PHE HA 1 59 PHE QD 3.880 . 3.880 2.997 2.924 3.061 . 0 0 "[ . 1 . 2]" 1
1088 1 3 TYR QD 1 8 GLN HA 4.690 . 4.690 4.721 4.618 4.776 0.086 8 0 "[ . 1 . 2]" 1
1089 1 5 PRO HA 1 8 GLN HE22 5.240 . 5.240 4.110 3.695 4.635 . 0 0 "[ . 1 . 2]" 1
1090 1 57 TYR HA 1 57 TYR QD 3.930 . 3.930 2.561 2.220 2.881 . 0 0 "[ . 1 . 2]" 1
1091 1 5 PRO HA 1 9 ASP H 4.850 . 4.850 3.217 3.035 3.289 . 0 0 "[ . 1 . 2]" 1
1092 1 24 SER HB3 1 26 MET H 5.500 . 5.500 5.535 5.276 5.604 0.104 18 0 "[ . 1 . 2]" 1
1093 1 57 TYR HA 1 60 ILE H 4.080 . 4.080 3.515 3.258 3.830 . 0 0 "[ . 1 . 2]" 1
1094 1 3 TYR HB2 1 4 ASN H 4.860 . 4.860 4.485 4.414 4.530 . 0 0 "[ . 1 . 2]" 1
1095 1 3 TYR HB3 1 4 ASN H 5.100 . 5.100 3.909 3.695 4.172 . 0 0 "[ . 1 . 2]" 1
1096 1 9 ASP HB3 1 10 PHE HA 3.970 . 3.970 4.040 3.979 4.100 0.130 17 0 "[ . 1 . 2]" 1
1097 1 49 ASN HB3 1 52 ASN HA 4.970 . 4.970 4.897 4.802 5.002 0.032 4 0 "[ . 1 . 2]" 1
1098 1 30 LYS HA 1 34 GLU HG3 4.410 . 4.410 4.466 4.345 4.531 0.121 14 0 "[ . 1 . 2]" 1
1099 1 55 GLN HA 1 55 GLN HG2 3.730 . 3.730 2.609 2.427 3.059 . 0 0 "[ . 1 . 2]" 1
1100 1 51 ALA HA 1 52 ASN HB2 5.500 . 5.500 5.569 5.538 5.588 0.088 4 0 "[ . 1 . 2]" 1
1101 1 34 GLU HA 1 34 GLU HG2 3.030 . 3.030 2.798 2.644 2.990 . 0 0 "[ . 1 . 2]" 1
1102 1 12 LEU HA 1 17 VAL HB 4.520 . 4.520 2.600 2.311 3.797 . 0 0 "[ . 1 . 2]" 1
1103 1 35 LEU HA 1 38 LEU HB2 4.930 . 4.930 4.123 3.942 4.334 . 0 0 "[ . 1 . 2]" 1
1104 1 36 ALA HA 1 38 LEU HB2 5.330 . 5.330 4.592 4.438 4.704 . 0 0 "[ . 1 . 2]" 1
1105 1 14 MET HB2 1 16 GLY HA3 5.090 . 5.090 4.941 4.786 5.070 . 0 0 "[ . 1 . 2]" 1
1106 1 23 ARG HA 1 23 ARG HB2 3.000 . 3.000 2.516 2.449 2.574 . 0 0 "[ . 1 . 2]" 1
1107 1 36 ALA HA 1 60 ILE HG12 3.010 . 3.010 3.050 2.892 3.100 0.090 14 0 "[ . 1 . 2]" 1
1108 1 10 PHE HA 1 13 LYS HB3 4.390 . 4.390 4.136 3.873 4.361 . 0 0 "[ . 1 . 2]" 1
1109 1 43 LEU HA 1 47 LEU HG 3.050 . 3.050 2.875 2.717 3.069 0.019 4 0 "[ . 1 . 2]" 1
1110 1 12 LEU HA 1 12 LEU HG 3.840 . 3.840 3.142 3.037 3.315 . 0 0 "[ . 1 . 2]" 1
1111 1 22 CYS HA 1 25 LEU HB3 3.610 . 3.610 2.568 2.380 2.822 . 0 0 "[ . 1 . 2]" 1
1112 1 34 GLU HA 1 37 ALA MB 3.160 . 3.160 1.926 1.863 2.003 . 0 0 "[ . 1 . 2]" 1
1113 1 43 LEU HA 1 46 ILE HB 3.470 . 3.470 2.966 2.688 3.118 . 0 0 "[ . 1 . 2]" 1
1114 1 20 LYS HA 1 20 LYS HG2 3.640 . 3.640 3.598 3.551 3.648 0.008 11 0 "[ . 1 . 2]" 1
1115 1 25 LEU HA 1 25 LEU HG 3.330 . 3.330 3.118 3.060 3.233 . 0 0 "[ . 1 . 2]" 1
1116 1 16 GLY HA2 1 52 ASN HA 3.610 . 3.610 3.023 2.606 3.249 . 0 0 "[ . 1 . 2]" 1
1117 1 9 ASP HA 1 10 PHE HB2 5.500 . 5.500 5.474 5.454 5.506 0.006 3 0 "[ . 1 . 2]" 1
1118 1 56 LEU HA 1 59 PHE HB2 4.720 . 4.720 3.907 3.654 4.309 . 0 0 "[ . 1 . 2]" 1
1119 1 56 LEU HA 1 59 PHE HB3 5.100 . 5.100 3.646 3.294 4.046 . 0 0 "[ . 1 . 2]" 1
1120 1 24 SER HA 1 27 HIS HB2 3.630 . 3.630 2.454 2.233 2.719 . 0 0 "[ . 1 . 2]" 1
1121 1 56 LEU HG 1 57 TYR HA 3.810 . 3.810 3.525 3.344 3.705 . 0 0 "[ . 1 . 2]" 1
1122 1 34 GLU HA 1 38 LEU QD 4.760 . 4.760 4.240 4.178 4.327 . 0 0 "[ . 1 . 2]" 1
1123 1 36 ALA HA 1 60 ILE MD 2.740 . 2.740 2.454 2.138 2.653 . 0 0 "[ . 1 . 2]" 1
1124 1 12 LEU HA 1 17 VAL QG . . 3.120 2.406 1.655 2.718 . 0 0 "[ . 1 . 2]" 1
1125 1 57 TYR HA 1 60 ILE MD 3.050 . 3.050 2.036 1.878 2.222 . 0 0 "[ . 1 . 2]" 1
1126 1 32 ILE MG 1 33 ALA HA 4.010 . 4.010 3.923 3.846 3.995 . 0 0 "[ . 1 . 2]" 1
1127 1 24 SER HB3 1 46 ILE MG 3.470 . 3.470 2.252 1.822 2.691 . 0 0 "[ . 1 . 2]" 1
1128 1 43 LEU HA 1 43 LEU MD1 3.110 . 3.110 1.784 1.766 1.804 . 0 0 "[ . 1 . 2]" 1
1129 1 43 LEU HA 1 46 ILE MD 3.220 . 3.220 2.525 2.159 2.789 . 0 0 "[ . 1 . 2]" 1
1130 1 57 TYR HA 1 60 ILE MG 4.370 . 4.370 3.896 3.625 4.355 . 0 0 "[ . 1 . 2]" 1
1131 1 57 TYR HA 1 60 ILE HG13 4.520 . 4.520 3.605 3.301 3.825 . 0 0 "[ . 1 . 2]" 1
1132 1 40 GLN HA 1 43 LEU HG 4.400 . 4.400 4.239 3.987 4.405 0.005 7 0 "[ . 1 . 2]" 1
1133 1 60 ILE HA 1 60 ILE HG13 3.750 . 3.750 2.773 2.675 2.916 . 0 0 "[ . 1 . 2]" 1
1134 1 32 ILE HG13 2 60 ILE HA 4.420 . 4.420 2.414 2.239 2.634 . 0 0 "[ . 1 . 2]" 1
1135 1 32 ILE HG13 2 59 PHE HB3 4.970 . 4.970 4.663 4.447 4.824 . 0 0 "[ . 1 . 2]" 1
1136 1 46 ILE HA 1 46 ILE MG 3.160 . 3.160 2.347 2.279 2.438 . 0 0 "[ . 1 . 2]" 1
1137 1 46 ILE HA 1 46 ILE MD 3.880 . 3.880 3.900 3.842 3.927 0.047 12 0 "[ . 1 . 2]" 1
1138 1 46 ILE HA 1 46 ILE HG12 3.750 . 3.750 2.833 2.663 2.931 . 0 0 "[ . 1 . 2]" 1
1139 1 32 ILE HA 1 32 ILE HG13 4.240 . 4.240 3.847 3.828 3.867 . 0 0 "[ . 1 . 2]" 1
1140 1 16 GLY HA2 1 55 GLN HB3 4.110 . 4.110 2.849 2.497 3.027 . 0 0 "[ . 1 . 2]" 1
1141 1 56 LEU HB3 1 57 TYR HB2 5.500 . 5.500 4.173 4.098 4.316 . 0 0 "[ . 1 . 2]" 1
1142 1 56 LEU HB3 1 57 TYR HB3 5.500 . 5.500 4.908 4.750 5.096 . 0 0 "[ . 1 . 2]" 1
1143 1 18 ASN HB3 1 19 ALA MB 4.840 . 4.840 4.485 4.411 4.591 . 0 0 "[ . 1 . 2]" 1
1144 1 10 PHE HB3 1 11 LEU HG 4.070 . 4.070 3.949 3.759 4.101 0.031 17 0 "[ . 1 . 2]" 1
1145 1 40 GLN HA 1 43 LEU HB3 4.220 . 4.220 4.144 3.956 4.271 0.051 13 0 "[ . 1 . 2]" 1
1146 1 36 ALA MB 2 33 ALA HA 2.920 . 2.920 2.111 1.859 2.339 . 0 0 "[ . 1 . 2]" 1
1147 1 62 THR MG 2 7 PRO HD3 4.210 . 4.210 2.661 2.299 2.951 . 0 0 "[ . 1 . 2]" 1
1148 1 36 ALA MB 1 60 ILE HA 4.730 . 4.730 4.464 4.258 4.567 . 0 0 "[ . 1 . 2]" 1
1149 1 40 GLN HA 1 40 GLN HG2 3.800 . 3.800 2.218 2.172 2.274 . 0 0 "[ . 1 . 2]" 1
1150 1 40 GLN HA 1 43 LEU HB2 4.290 . 4.290 2.569 2.347 2.696 . 0 0 "[ . 1 . 2]" 1
1151 1 14 MET HB2 1 16 GLY HA2 5.500 . 5.500 5.511 5.420 5.538 0.038 10 0 "[ . 1 . 2]" 1
1152 1 17 VAL HB 1 56 LEU MD1 4.030 . 4.030 3.841 2.516 4.078 0.048 16 0 "[ . 1 . 2]" 1
1153 1 60 ILE HB 1 60 ILE HG13 2.970 . 2.970 2.567 2.542 2.594 . 0 0 "[ . 1 . 2]" 1
1154 1 14 MET HG3 1 56 LEU MD1 3.480 . 3.480 2.168 2.035 2.479 . 0 0 "[ . 1 . 2]" 1
1155 1 29 VAL MG2 1 35 LEU HB3 3.780 . 3.780 3.748 3.570 3.831 0.051 6 0 "[ . 1 . 2]" 1
1156 1 29 VAL MG2 1 34 GLU HB3 4.060 . 4.060 3.860 3.663 4.069 0.009 2 0 "[ . 1 . 2]" 1
1157 1 29 VAL HB 1 38 LEU QD 4.500 . 4.500 3.801 3.721 3.881 . 0 0 "[ . 1 . 2]" 1
1158 1 12 LEU HB3 1 12 LEU MD2 2.800 . 2.800 2.209 2.137 2.307 . 0 0 "[ . 1 . 2]" 1
1159 1 12 LEU MD2 1 19 ALA MB 3.050 . 3.050 3.106 3.083 3.138 0.088 14 0 "[ . 1 . 2]" 1
1160 1 32 ILE MD 2 36 ALA MB 5.090 . 5.090 4.836 4.562 5.048 . 0 0 "[ . 1 . 2]" 1
1161 1 11 LEU MD2 1 25 LEU HB3 4.490 . 4.490 3.682 3.422 3.881 . 0 0 "[ . 1 . 2]" 1
1162 1 11 LEU HB2 1 17 VAL HB 5.500 . 5.500 5.042 4.774 5.564 0.064 10 0 "[ . 1 . 2]" 1
1163 1 11 LEU HB3 1 17 VAL HB 5.500 . 5.500 4.432 4.101 4.799 . 0 0 "[ . 1 . 2]" 1
1164 1 43 LEU HB3 1 47 LEU HG 3.850 . 3.850 3.279 3.021 3.438 . 0 0 "[ . 1 . 2]" 1
1165 1 42 GLU HB3 1 46 ILE HG12 4.900 . 4.900 4.851 4.592 4.979 0.079 3 0 "[ . 1 . 2]" 1
1166 1 23 ARG HA 1 23 ARG HG3 3.590 . 3.590 3.569 3.534 3.604 0.014 16 0 "[ . 1 . 2]" 1
1167 1 53 ALA HA 1 56 LEU HB3 4.220 . 4.220 2.978 2.760 3.170 . 0 0 "[ . 1 . 2]" 1
1168 1 59 PHE QD 1 60 ILE HA 4.220 . 4.220 3.326 3.150 3.531 . 0 0 "[ . 1 . 2]" 1
1169 1 31 ASN HB2 2 64 PHE QE 4.550 . 4.550 4.514 4.441 4.562 0.012 11 0 "[ . 1 . 2]" 1
1170 1 32 ILE HG12 2 59 PHE QD 4.170 . 4.170 4.108 3.914 4.192 0.022 2 0 "[ . 1 . 2]" 1
1171 1 26 MET ME 2 64 PHE QD 3.960 . 3.960 3.408 3.247 3.555 . 0 0 "[ . 1 . 2]" 1
1172 1 26 MET ME 2 64 PHE QE 4.100 . 4.100 4.149 4.069 4.201 0.101 16 0 "[ . 1 . 2]" 1
1173 1 3 TYR QD 1 26 MET ME 3.730 . 3.730 3.249 2.924 3.510 . 0 0 "[ . 1 . 2]" 1
1174 1 32 ILE HB 2 59 PHE QD 4.760 . 4.760 4.665 4.434 4.781 0.021 4 0 "[ . 1 . 2]" 1
1175 1 59 PHE QD 1 60 ILE HG13 4.240 . 4.240 3.940 3.811 4.130 . 0 0 "[ . 1 . 2]" 1
1176 1 32 ILE MG 2 59 PHE QD 4.420 . 4.420 3.964 3.725 4.241 . 0 0 "[ . 1 . 2]" 1
1177 1 59 PHE QD 1 60 ILE MG 5.320 . 5.320 5.131 4.870 5.318 . 0 0 "[ . 1 . 2]" 1
1178 1 3 TYR QE 1 26 MET HG2 4.860 . 4.860 4.619 4.443 4.899 0.039 18 0 "[ . 1 . 2]" 1
1179 1 3 TYR QE 1 26 MET ME 4.310 . 4.310 3.859 3.426 4.270 . 0 0 "[ . 1 . 2]" 1
1180 1 46 ILE HG13 1 47 LEU H 4.550 . 4.550 4.091 3.981 4.184 . 0 0 "[ . 1 . 2]" 1
1181 1 20 LYS HB2 1 21 ASN H 3.610 . 3.610 3.553 3.362 3.668 0.058 4 0 "[ . 1 . 2]" 1
1182 1 43 LEU H 1 43 LEU HB2 3.300 . 3.300 2.274 2.207 2.312 . 0 0 "[ . 1 . 2]" 1
1183 1 38 LEU HB3 1 43 LEU H 4.150 . 4.150 3.669 3.496 3.892 . 0 0 "[ . 1 . 2]" 1
1184 1 20 LYS HB2 1 22 CYS H 5.500 . 5.500 5.219 5.005 5.378 . 0 0 "[ . 1 . 2]" 1
1185 1 36 ALA H 1 60 ILE HG12 5.500 . 5.500 5.243 5.097 5.357 . 0 0 "[ . 1 . 2]" 1
1186 1 19 ALA MB 1 22 CYS H 4.820 . 4.820 4.510 4.362 4.642 . 0 0 "[ . 1 . 2]" 1
1187 1 43 LEU HB2 1 54 LYS H 5.500 . 5.500 5.545 5.451 5.580 0.080 11 0 "[ . 1 . 2]" 1
1188 1 47 LEU HB2 1 48 GLY H 3.790 . 3.790 2.794 2.686 2.905 . 0 0 "[ . 1 . 2]" 1
1189 1 46 ILE HB 1 48 GLY H 5.500 . 5.500 4.682 4.575 4.774 . 0 0 "[ . 1 . 2]" 1
1190 1 55 GLN HB3 1 56 LEU H 3.930 . 3.930 3.328 3.139 3.481 . 0 0 "[ . 1 . 2]" 1
1191 1 49 ASN HD22 1 51 ALA MB 4.070 . 4.070 2.805 2.552 2.860 . 0 0 "[ . 1 . 2]" 1
1192 1 22 CYS HB3 1 23 ARG H 4.220 . 4.220 2.583 2.461 2.720 . 0 0 "[ . 1 . 2]" 1
1193 1 23 ARG HB2 1 24 SER H 3.740 . 3.740 3.556 3.297 3.746 0.006 1 0 "[ . 1 . 2]" 1
1194 1 25 LEU H 1 25 LEU HG 4.600 . 4.600 4.518 4.457 4.560 . 0 0 "[ . 1 . 2]" 1
1195 1 25 LEU H 1 26 MET HG2 4.300 . 4.300 3.906 3.812 4.027 . 0 0 "[ . 1 . 2]" 1
1196 1 55 GLN H 1 55 GLN HG2 4.760 . 4.760 3.971 3.801 4.276 . 0 0 "[ . 1 . 2]" 1
1197 1 4 ASN HD21 1 5 PRO HG2 5.340 . 5.340 4.712 4.100 5.300 . 0 0 "[ . 1 . 2]" 1
1198 1 4 ASN HD21 1 5 PRO HG3 5.500 . 5.500 5.221 4.791 5.542 0.042 19 0 "[ . 1 . 2]" 1
1199 1 14 MET HB3 1 17 VAL H 4.800 . 4.800 4.510 4.241 4.841 0.041 10 0 "[ . 1 . 2]" 1
1200 1 8 GLN HE21 1 9 ASP HB2 5.040 . 5.040 3.950 3.592 4.269 . 0 0 "[ . 1 . 2]" 1
1201 1 64 PHE QD 2 7 PRO HB2 3.530 . 3.530 2.457 2.211 2.602 . 0 0 "[ . 1 . 2]" 1
1202 1 15 PRO HG3 1 59 PHE QD 4.690 . 4.690 2.552 2.327 2.885 . 0 0 "[ . 1 . 2]" 1
1203 1 49 ASN HD21 1 50 ALA MB 4.490 . 4.490 4.473 4.262 4.551 0.061 5 0 "[ . 1 . 2]" 1
1204 1 40 GLN HB3 1 57 TYR QD 5.050 . 5.050 4.752 4.406 5.073 0.023 12 0 "[ . 1 . 2]" 1
1205 1 64 PHE QE 2 25 LEU HG 4.760 . 4.760 4.784 4.688 4.897 0.137 9 0 "[ . 1 . 2]" 1
1206 1 40 GLN HA 1 57 TYR QD 4.810 . 4.810 3.587 3.329 3.943 . 0 0 "[ . 1 . 2]" 1
1207 1 16 GLY HA2 1 52 ASN HD22 5.410 . 5.410 4.991 4.634 5.345 . 0 0 "[ . 1 . 2]" 1
1208 1 31 ASN H 1 32 ILE HA 5.020 . 5.020 4.882 4.829 4.920 . 0 0 "[ . 1 . 2]" 1
1209 1 64 PHE QE 2 32 ILE HA 5.480 . 5.480 4.723 4.605 4.878 . 0 0 "[ . 1 . 2]" 1
1210 1 21 ASN HA 1 47 LEU HA 4.450 . 4.450 3.853 3.479 4.086 . 0 0 "[ . 1 . 2]" 1
1211 1 10 PHE QE 2 13 LYS HB2 3.940 . 3.940 3.387 2.874 3.749 . 0 0 "[ . 1 . 2]" 1
1212 1 64 PHE HZ 2 35 LEU HB3 4.480 . 4.480 4.409 4.261 4.517 0.037 20 0 "[ . 1 . 2]" 1
1213 1 10 PHE QE 2 13 LYS HD3 5.260 . 5.260 4.477 3.836 5.298 0.038 13 0 "[ . 1 . 2]" 1
1214 1 40 GLN HB3 1 40 GLN HE22 4.650 . 4.650 4.506 4.265 4.589 . 0 0 "[ . 1 . 2]" 1
1215 1 40 GLN HE22 1 50 ALA MB 5.140 . 5.140 3.695 3.355 4.023 . 0 0 "[ . 1 . 2]" 1
1216 1 18 ASN HD22 1 20 LYS HB2 5.500 . 5.500 5.628 5.576 5.685 0.185 11 0 "[ . 1 . 2]" 1
1217 1 31 ASN HA 2 64 PHE QD 3.600 . 3.600 3.598 3.476 3.682 0.082 16 0 "[ . 1 . 2]" 1
1218 1 12 LEU HB3 1 18 ASN H 5.500 . 5.500 5.643 5.585 5.677 0.177 11 0 "[ . 1 . 2]" 1
1219 1 18 ASN H 1 20 LYS HG2 4.480 . 4.480 3.997 3.799 4.309 . 0 0 "[ . 1 . 2]" 1
1220 1 50 ALA H 1 51 ALA MB 4.880 . 4.880 4.393 4.321 4.493 . 0 0 "[ . 1 . 2]" 1
1221 1 18 ASN HA 1 20 LYS HG2 4.850 . 4.850 4.612 4.495 4.754 . 0 0 "[ . 1 . 2]" 1
1222 2 50 ALA H 2 50 ALA MB 3.340 . 3.340 2.213 2.197 2.227 . 0 0 "[ . 1 . 2]" 1
1223 2 43 LEU HG 2 57 TYR H 4.010 . 4.010 3.238 2.996 3.376 . 0 0 "[ . 1 . 2]" 1
1224 2 47 LEU H 2 47 LEU MD1 3.670 . 3.670 3.520 3.445 3.631 . 0 0 "[ . 1 . 2]" 1
1225 2 47 LEU H 2 47 LEU MD2 3.720 . 3.720 3.132 2.963 3.315 . 0 0 "[ . 1 . 2]" 1
1226 2 29 VAL MG2 2 30 LYS H 4.140 . 4.140 3.509 3.224 3.710 . 0 0 "[ . 1 . 2]" 1
1227 2 19 ALA H 2 19 ALA MB 2.980 . 2.980 2.233 2.195 2.269 . 0 0 "[ . 1 . 2]" 1
1228 2 33 ALA MB 2 34 GLU H 3.090 . 3.090 2.297 2.259 2.349 . 0 0 "[ . 1 . 2]" 1
1229 2 34 GLU H 2 34 GLU HG3 3.770 . 3.770 3.866 3.824 3.908 0.138 12 0 "[ . 1 . 2]" 1
1230 2 43 LEU H 2 43 LEU HG 4.170 . 4.170 4.194 4.177 4.213 0.043 11 0 "[ . 1 . 2]" 1
1231 2 44 THR H 2 47 LEU MD1 4.640 . 4.640 4.623 4.490 4.678 0.038 6 0 "[ . 1 . 2]" 1
1232 2 29 VAL H 2 29 VAL MG2 3.440 . 3.440 2.186 2.045 2.277 . 0 0 "[ . 1 . 2]" 1
1233 2 29 VAL H 2 29 VAL MG1 3.440 . 3.440 2.714 2.499 2.918 . 0 0 "[ . 1 . 2]" 1
1234 2 65 ALA H 2 65 ALA MB 2.940 . 2.940 2.569 2.373 2.957 0.017 19 0 "[ . 1 . 2]" 1
1235 2 11 LEU H 2 11 LEU MD2 4.250 . 4.250 3.153 2.951 3.448 . 0 0 "[ . 1 . 2]" 1
1236 2 23 ARG HA 2 26 MET H 4.220 . 4.220 3.954 3.840 4.113 . 0 0 "[ . 1 . 2]" 1
1237 2 60 ILE H 2 60 ILE MG 3.780 . 3.780 3.763 3.748 3.775 . 0 0 "[ . 1 . 2]" 1
1238 2 60 ILE H 2 60 ILE MD 3.740 . 3.740 3.390 3.297 3.451 . 0 0 "[ . 1 . 2]" 1
1239 2 35 LEU H 2 35 LEU MD1 4.510 . 4.510 4.234 4.202 4.288 . 0 0 "[ . 1 . 2]" 1
1240 2 35 LEU H 2 35 LEU MD2 4.790 . 4.790 4.190 4.140 4.211 . 0 0 "[ . 1 . 2]" 1
1241 2 29 VAL MG2 2 35 LEU H 3.890 . 3.890 3.285 3.003 3.504 . 0 0 "[ . 1 . 2]" 1
1242 2 46 ILE H 2 46 ILE MD 3.530 . 3.530 3.194 3.067 3.352 . 0 0 "[ . 1 . 2]" 1
1243 2 46 ILE H 2 46 ILE HG13 4.260 . 4.260 2.280 2.020 2.547 . 0 0 "[ . 1 . 2]" 1
1244 2 25 LEU H 2 46 ILE MG 3.550 . 3.550 3.246 3.080 3.393 . 0 0 "[ . 1 . 2]" 1
1245 2 21 ASN HD22 2 47 LEU MD1 3.680 . 3.680 3.298 2.881 3.725 0.045 11 0 "[ . 1 . 2]" 1
1246 2 21 ASN HD21 2 47 LEU MD1 3.680 . 3.680 2.788 2.341 3.673 . 0 0 "[ . 1 . 2]" 1
1247 2 17 VAL H 2 17 VAL QG . . 3.080 2.675 2.187 2.857 . 0 0 "[ . 1 . 2]" 1
1248 2 12 LEU H 2 12 LEU MD2 3.460 . 3.460 3.285 3.056 3.465 0.005 13 0 "[ . 1 . 2]" 1
1249 1 60 ILE MG 2 33 ALA H 3.490 . 3.490 3.107 2.904 3.351 . 0 0 "[ . 1 . 2]" 1
1250 2 32 ILE MG 2 33 ALA H 3.740 . 3.740 3.796 3.762 3.848 0.108 4 0 "[ . 1 . 2]" 1
1251 2 12 LEU H 2 12 LEU HB2 3.800 . 3.800 2.715 2.644 2.779 . 0 0 "[ . 1 . 2]" 1
1252 2 38 LEU H 2 38 LEU QD 3.370 . 3.370 3.043 2.930 3.117 . 0 0 "[ . 1 . 2]" 1
1253 2 10 PHE HA 2 10 PHE QD 3.850 . 3.850 2.422 2.157 2.639 . 0 0 "[ . 1 . 2]" 1
1254 2 10 PHE QD 2 32 ILE MD 3.650 . 3.650 2.298 2.086 2.594 . 0 0 "[ . 1 . 2]" 1
1255 2 8 GLN HE21 2 26 MET ME 4.050 . 4.050 3.884 3.688 4.074 0.024 1 0 "[ . 1 . 2]" 1
1256 1 32 ILE MD 2 59 PHE QD 3.620 . 3.620 3.479 3.250 3.600 . 0 0 "[ . 1 . 2]" 1
1257 2 64 PHE HA 2 64 PHE QD 3.590 . 3.590 2.752 2.544 3.110 . 0 0 "[ . 1 . 2]" 1
1258 1 65 ALA MB 2 3 TYR QD 3.810 . 3.810 2.795 2.632 3.114 . 0 0 "[ . 1 . 2]" 1
1259 2 43 LEU HG 2 57 TYR QD 4.430 . 4.430 4.436 4.301 4.484 0.054 12 0 "[ . 1 . 2]" 1
1260 2 3 TYR HA 2 3 TYR QD 3.390 . 3.390 2.798 2.449 3.112 . 0 0 "[ . 1 . 2]" 1
1261 1 32 ILE MD 2 64 PHE QE 3.800 . 3.800 3.343 3.235 3.464 . 0 0 "[ . 1 . 2]" 1
1262 1 32 ILE MD 2 59 PHE QE 3.500 . 3.500 2.604 2.331 2.809 . 0 0 "[ . 1 . 2]" 1
1263 2 4 ASN HA 2 5 PRO HD2 3.240 . 3.240 2.298 2.113 2.481 . 0 0 "[ . 1 . 2]" 1
1264 2 29 VAL HA 2 29 VAL MG2 3.300 . 3.300 3.218 3.209 3.227 . 0 0 "[ . 1 . 2]" 1
1265 2 38 LEU HA 2 38 LEU QD 2.820 . 2.820 2.008 1.953 2.079 . 0 0 "[ . 1 . 2]" 1
1266 2 9 ASP HA 2 12 LEU MD1 3.370 . 3.370 2.426 2.096 2.980 . 0 0 "[ . 1 . 2]" 1
1267 2 26 MET HA 2 26 MET ME 4.160 . 4.160 4.028 3.945 4.163 0.003 2 0 "[ . 1 . 2]" 1
1268 2 13 LYS HA 2 13 LYS HG2 3.330 . 3.330 2.885 2.715 3.105 . 0 0 "[ . 1 . 2]" 1
1269 2 13 LYS HA 2 13 LYS HG3 3.960 . 3.960 3.706 3.653 3.760 . 0 0 "[ . 1 . 2]" 1
1270 2 17 VAL HA 2 17 VAL QG . . 2.830 2.186 2.135 2.326 . 0 0 "[ . 1 . 2]" 1
1271 2 50 ALA HA 2 53 ALA MB 3.120 . 3.120 2.404 2.302 2.478 . 0 0 "[ . 1 . 2]" 1
1272 2 47 LEU HA 2 47 LEU MD1 4.020 . 4.020 3.873 3.842 3.891 . 0 0 "[ . 1 . 2]" 1
1273 2 47 LEU HA 2 47 LEU MD2 2.890 . 2.890 2.136 2.031 2.247 . 0 0 "[ . 1 . 2]" 1
1274 2 62 THR HA 2 62 THR MG 3.220 . 3.220 2.523 2.448 2.604 . 0 0 "[ . 1 . 2]" 1
1275 2 12 LEU MD2 2 19 ALA HA 3.280 . 3.280 2.323 2.183 2.492 . 0 0 "[ . 1 . 2]" 1
1276 2 35 LEU HA 2 35 LEU MD1 3.200 . 3.200 2.361 2.281 2.478 . 0 0 "[ . 1 . 2]" 1
1277 2 29 VAL MG2 2 35 LEU HA 3.220 . 3.220 2.919 2.664 3.077 . 0 0 "[ . 1 . 2]" 1
1278 2 34 GLU HA 2 34 GLU HG3 3.760 . 3.760 3.628 3.604 3.668 . 0 0 "[ . 1 . 2]" 1
1279 2 35 LEU HA 2 38 LEU QD 3.750 . 3.750 2.856 2.627 3.103 . 0 0 "[ . 1 . 2]" 1
1280 2 38 LEU QD 2 43 LEU HA 4.030 . 4.030 3.186 3.106 3.272 . 0 0 "[ . 1 . 2]" 1
1281 2 11 LEU HA 2 11 LEU MD2 4.020 . 4.020 2.195 2.065 2.336 . 0 0 "[ . 1 . 2]" 1
1282 2 43 LEU HA 2 43 LEU MD2 2.960 . 2.960 2.861 2.760 2.922 . 0 0 "[ . 1 . 2]" 1
1283 2 29 VAL MG1 2 35 LEU HA 3.220 . 3.220 2.136 1.970 2.286 . 0 0 "[ . 1 . 2]" 1
1284 2 25 LEU HA 2 46 ILE MG 2.970 . 2.970 2.053 1.842 2.256 . 0 0 "[ . 1 . 2]" 1
1285 2 8 GLN HA 2 26 MET ME 3.270 . 3.270 2.763 2.492 3.073 . 0 0 "[ . 1 . 2]" 1
1286 2 23 ARG HA 2 26 MET ME 3.560 . 3.560 3.284 2.891 3.605 0.045 19 0 "[ . 1 . 2]" 1
1287 2 36 ALA HA 2 60 ILE MG 3.220 . 3.220 2.208 2.061 2.418 . 0 0 "[ . 1 . 2]" 1
1288 2 12 LEU HA 2 12 LEU MD2 2.840 . 2.840 2.324 2.092 2.481 . 0 0 "[ . 1 . 2]" 1
1289 2 43 LEU HG 2 53 ALA HA 3.680 . 3.680 2.919 2.833 2.981 . 0 0 "[ . 1 . 2]" 1
1290 2 43 LEU HG 2 57 TYR HA 4.180 . 4.180 4.135 3.982 4.237 0.057 9 0 "[ . 1 . 2]" 1
1291 2 47 LEU MD1 2 53 ALA HA 3.050 . 3.050 1.894 1.825 1.966 . 0 0 "[ . 1 . 2]" 1
1292 1 60 ILE MG 2 33 ALA HA 3.680 . 3.680 3.108 2.961 3.281 . 0 0 "[ . 1 . 2]" 1
1293 2 14 MET HA 2 15 PRO HD2 3.700 . 3.700 2.533 2.372 2.715 . 0 0 "[ . 1 . 2]" 1
1294 2 32 ILE HA 2 32 ILE MG 3.320 . 3.320 2.293 2.248 2.338 . 0 0 "[ . 1 . 2]" 1
1295 2 40 GLN HA 2 43 LEU MD2 4.010 . 4.010 2.612 2.426 2.822 . 0 0 "[ . 1 . 2]" 1
1296 2 40 GLN HA 2 53 ALA MB 3.630 . 3.630 3.512 3.437 3.647 0.017 19 0 "[ . 1 . 2]" 1
1297 2 47 LEU MD1 2 52 ASN HB3 3.600 . 3.600 2.134 1.912 2.330 . 0 0 "[ . 1 . 2]" 1
1298 2 52 ASN HB3 2 53 ALA MB 4.420 . 4.420 4.400 4.305 4.450 0.030 8 0 "[ . 1 . 2]" 1
1299 2 60 ILE HA 2 60 ILE MG 3.540 . 3.540 2.476 2.415 2.532 . 0 0 "[ . 1 . 2]" 1
1300 2 60 ILE HA 2 60 ILE MD 3.910 . 3.910 3.853 3.815 3.879 . 0 0 "[ . 1 . 2]" 1
1301 2 47 LEU MD2 2 52 ASN HB3 3.970 . 3.970 3.496 3.213 3.724 . 0 0 "[ . 1 . 2]" 1
1302 2 15 PRO HG3 2 59 PHE HB2 3.580 . 3.580 2.749 2.454 3.144 . 0 0 "[ . 1 . 2]" 1
1303 2 12 LEU MD2 2 22 CYS HB2 3.190 . 3.190 1.988 1.822 2.142 . 0 0 "[ . 1 . 2]" 1
1304 2 12 LEU MD1 2 22 CYS HB2 4.120 . 4.120 4.011 3.815 4.141 0.021 4 0 "[ . 1 . 2]" 1
1305 2 28 HIS HB3 2 46 ILE MG 4.110 . 4.110 2.539 2.366 2.971 . 0 0 "[ . 1 . 2]" 1
1306 2 28 HIS HB3 2 46 ILE MD 3.790 . 3.790 2.672 2.393 3.039 . 0 0 "[ . 1 . 2]" 1
1307 2 18 ASN HB2 2 20 LYS HG2 4.380 . 4.380 1.854 1.708 2.058 . 0 0 "[ . 1 . 2]" 1
1308 2 18 ASN HB2 2 20 LYS HG3 4.160 . 4.160 3.251 2.535 3.637 . 0 0 "[ . 1 . 2]" 1
1309 2 18 ASN HB2 2 19 ALA MB 4.210 . 4.210 4.029 3.911 4.138 . 0 0 "[ . 1 . 2]" 1
1310 2 12 LEU MD1 2 22 CYS HB3 4.120 . 4.120 4.213 4.153 4.253 0.133 15 0 "[ . 1 . 2]" 1
1311 2 12 LEU MD2 2 22 CYS HB3 3.190 . 3.190 2.852 2.622 3.110 . 0 0 "[ . 1 . 2]" 1
1312 2 22 CYS HB3 2 26 MET ME 4.580 . 4.580 3.363 3.115 3.723 . 0 0 "[ . 1 . 2]" 1
1313 2 15 PRO HB2 2 55 GLN HG2 3.780 . 3.780 3.397 2.916 3.635 . 0 0 "[ . 1 . 2]" 1
1314 2 7 PRO HB2 2 31 ASN HB2 3.930 . 3.930 3.980 3.914 4.055 0.125 11 0 "[ . 1 . 2]" 1
1315 2 7 PRO HB3 2 31 ASN HB2 4.160 . 4.160 3.791 3.610 4.023 . 0 0 "[ . 1 . 2]" 1
1316 2 26 MET ME 2 26 MET HG2 3.380 . 3.380 2.470 2.419 2.528 . 0 0 "[ . 1 . 2]" 1
1317 2 47 LEU MD1 2 52 ASN HB2 3.590 . 3.590 3.271 3.026 3.412 . 0 0 "[ . 1 . 2]" 1
1318 2 8 GLN HG2 2 26 MET ME 3.560 . 3.560 2.173 2.014 2.357 . 0 0 "[ . 1 . 2]" 1
1319 2 8 GLN HG3 2 26 MET ME 4.100 . 4.100 2.347 2.192 2.592 . 0 0 "[ . 1 . 2]" 1
1320 2 42 GLU HB2 2 43 LEU MD2 3.280 . 3.280 3.328 3.125 3.422 0.142 15 0 "[ . 1 . 2]" 1
1321 2 51 ALA MB 2 52 ASN HB2 4.050 . 4.050 4.059 3.953 4.100 0.050 15 0 "[ . 1 . 2]" 1
1322 2 66 GLU HA 2 66 GLU HG2 3.860 . 3.860 3.189 2.426 3.812 . 0 0 "[ . 1 . 2]" 1
1323 2 66 GLU HA 2 66 GLU HG3 3.860 . 3.860 2.787 2.217 4.147 0.287 9 0 "[ . 1 . 2]" 1
1324 2 34 GLU HB3 2 37 ALA MB 4.030 . 4.030 3.608 3.522 3.682 . 0 0 "[ . 1 . 2]" 1
1325 2 37 ALA MB 2 38 LEU HG 4.430 . 4.430 3.875 3.807 3.953 . 0 0 "[ . 1 . 2]" 1
1326 2 43 LEU HB2 2 53 ALA MB 3.250 . 3.250 2.345 2.287 2.399 . 0 0 "[ . 1 . 2]" 1
1327 2 38 LEU QD 2 42 GLU HB3 3.090 . 3.090 2.302 2.144 2.578 . 0 0 "[ . 1 . 2]" 1
1328 2 51 ALA HA 2 54 LYS HB3 3.820 . 3.820 3.204 2.704 3.661 . 0 0 "[ . 1 . 2]" 1
1329 2 7 PRO HB2 2 32 ILE MD 3.460 . 3.460 3.127 2.984 3.290 . 0 0 "[ . 1 . 2]" 1
1330 2 7 PRO HB3 2 32 ILE MD 3.610 . 3.610 2.539 2.235 2.787 . 0 0 "[ . 1 . 2]" 1
1331 2 34 GLU HB2 2 37 ALA MB 4.560 . 4.560 4.394 4.343 4.427 . 0 0 "[ . 1 . 2]" 1
1332 2 60 ILE HB 2 60 ILE MD 3.090 . 3.090 2.320 2.243 2.379 . 0 0 "[ . 1 . 2]" 1
1333 1 60 ILE HA 2 32 ILE HB 3.780 . 3.780 2.220 2.055 2.415 . 0 0 "[ . 1 . 2]" 1
1334 1 62 THR MG 2 7 PRO HB3 4.040 . 4.040 3.757 3.327 4.058 0.018 17 0 "[ . 1 . 2]" 1
1335 2 60 ILE HG12 2 60 ILE MG 3.350 . 3.350 2.282 2.228 2.333 . 0 0 "[ . 1 . 2]" 1
1336 2 43 LEU HG 2 56 LEU HB3 3.730 . 3.730 2.697 2.549 2.876 . 0 0 "[ . 1 . 2]" 1
1337 2 46 ILE MG 2 47 LEU HG 3.750 . 3.750 3.759 3.559 3.833 0.083 13 0 "[ . 1 . 2]" 1
1338 2 12 LEU HB2 2 12 LEU MD1 2.840 . 2.840 2.266 2.205 2.321 . 0 0 "[ . 1 . 2]" 1
1339 2 40 GLN HA 2 40 GLN HG3 3.800 . 3.800 3.493 3.276 3.546 . 0 0 "[ . 1 . 2]" 1
1340 2 22 CYS HA 2 25 LEU HB2 4.310 . 4.310 3.183 2.888 3.565 . 0 0 "[ . 1 . 2]" 1
1341 2 35 LEU HB3 2 35 LEU MD2 2.760 . 2.760 2.310 2.247 2.341 . 0 0 "[ . 1 . 2]" 1
1342 2 46 ILE HA 2 46 ILE HG13 3.750 . 3.750 2.790 2.618 2.856 . 0 0 "[ . 1 . 2]" 1
1343 2 25 LEU HB3 2 26 MET ME 3.980 . 3.980 4.030 3.968 4.064 0.084 11 0 "[ . 1 . 2]" 1
1344 2 12 LEU HB3 2 12 LEU MD1 2.860 . 2.860 2.518 2.437 2.588 . 0 0 "[ . 1 . 2]" 1
1345 2 43 LEU HG 2 53 ALA MB 3.910 . 3.910 3.663 3.572 3.754 . 0 0 "[ . 1 . 2]" 1
1346 2 11 LEU HB3 2 25 LEU MD2 3.150 . 3.150 2.034 1.846 2.246 . 0 0 "[ . 1 . 2]" 1
1347 2 8 GLN HA 2 11 LEU HG 4.060 . 4.060 2.908 2.752 3.157 . 0 0 "[ . 1 . 2]" 1
1348 2 53 ALA MB 2 54 LYS HA 4.390 . 4.390 3.767 3.747 3.793 . 0 0 "[ . 1 . 2]" 1
1349 2 65 ALA MB 2 66 GLU HA 4.390 . 4.390 4.182 3.807 4.444 0.054 1 0 "[ . 1 . 2]" 1
1350 2 36 ALA MB 2 60 ILE MG 3.190 . 3.190 2.408 2.242 2.603 . 0 0 "[ . 1 . 2]" 1
1351 1 33 ALA MB 2 36 ALA MB 3.540 . 3.540 3.397 3.284 3.561 0.021 17 0 "[ . 1 . 2]" 1
1352 2 36 ALA MB 2 60 ILE MD 3.780 . 3.780 3.756 3.592 3.813 0.033 19 0 "[ . 1 . 2]" 1
1353 2 44 THR MG 2 53 ALA MB 3.200 . 3.200 1.990 1.933 2.071 . 0 0 "[ . 1 . 2]" 1
1354 2 44 THR MG 2 50 ALA MB 3.170 . 3.170 2.670 2.566 2.767 . 0 0 "[ . 1 . 2]" 1
1355 2 32 ILE MD 2 35 LEU MD2 3.520 . 3.520 2.463 2.364 2.593 . 0 0 "[ . 1 . 2]" 1
1356 2 32 ILE HA 2 35 LEU MD2 3.690 . 3.690 2.465 2.296 2.532 . 0 0 "[ . 1 . 2]" 1
1357 2 43 LEU MD2 2 53 ALA MB 4.340 . 4.340 3.875 3.834 3.920 . 0 0 "[ . 1 . 2]" 1
1358 2 12 LEU MD1 2 19 ALA MB 3.620 . 3.620 3.496 3.238 3.628 0.008 13 0 "[ . 1 . 2]" 1
1359 2 38 LEU HB2 2 43 LEU MD2 4.320 . 4.320 2.277 2.174 2.404 . 0 0 "[ . 1 . 2]" 1
1360 2 37 ALA MB 2 38 LEU QD 3.490 . 3.490 3.401 3.272 3.451 . 0 0 "[ . 1 . 2]" 1
1361 1 60 ILE HA 2 32 ILE MG 3.710 . 3.710 3.052 2.852 3.423 . 0 0 "[ . 1 . 2]" 1
1362 2 12 LEU MD2 2 22 CYS HA 4.060 . 4.060 3.773 3.486 3.962 . 0 0 "[ . 1 . 2]" 1
1363 1 36 ALA MB 2 32 ILE MG 2.950 . 2.950 2.331 2.128 2.570 . 0 0 "[ . 1 . 2]" 1
1364 2 60 ILE MD 2 60 ILE MG 2.720 . 2.720 2.053 1.961 2.142 . 0 0 "[ . 1 . 2]" 1
1365 2 12 LEU MD2 2 26 MET ME 4.840 . 4.840 4.161 4.010 4.334 . 0 0 "[ . 1 . 2]" 1
1366 2 25 LEU MD2 2 26 MET ME 5.240 . 5.240 4.479 4.253 4.681 . 0 0 "[ . 1 . 2]" 1
1367 2 25 LEU HB2 2 25 LEU MD2 3.190 . 3.190 2.366 2.303 2.422 . 0 0 "[ . 1 . 2]" 1
1368 2 25 LEU HB3 2 25 LEU MD2 3.400 . 3.400 2.320 2.278 2.379 . 0 0 "[ . 1 . 2]" 1
1369 2 47 LEU MD1 2 53 ALA MB 3.240 . 3.240 2.557 2.431 2.751 . 0 0 "[ . 1 . 2]" 1
1370 1 33 ALA MB 2 60 ILE MG 2.990 . 2.990 2.644 2.399 2.886 . 0 0 "[ . 1 . 2]" 1
1371 1 32 ILE MG 2 60 ILE MG 3.590 . 3.590 3.037 2.870 3.335 . 0 0 "[ . 1 . 2]" 1
1372 2 46 ILE HG12 2 46 ILE MG 3.470 . 3.470 2.226 2.101 2.272 . 0 0 "[ . 1 . 2]" 1
1373 2 7 PRO HA 2 10 PHE QD 4.320 . 4.320 3.835 3.691 4.013 . 0 0 "[ . 1 . 2]" 1
1374 1 7 PRO HA 2 59 PHE QE 4.570 . 4.570 3.045 2.841 3.188 . 0 0 "[ . 1 . 2]" 1
1375 1 32 ILE HA 2 64 PHE HZ 4.650 . 4.650 4.311 4.188 4.436 . 0 0 "[ . 1 . 2]" 1
1376 2 16 GLY HA3 2 55 GLN HB2 4.260 . 4.260 2.208 1.995 2.441 . 0 0 "[ . 1 . 2]" 1
1377 2 16 GLY HA3 2 55 GLN HB3 4.230 . 4.230 2.263 2.114 2.327 . 0 0 "[ . 1 . 2]" 1
1378 2 16 GLY HA2 2 55 GLN HB2 4.260 . 4.260 2.927 2.792 3.040 . 0 0 "[ . 1 . 2]" 1
1379 2 11 LEU HA 2 11 LEU MD1 4.020 . 4.020 3.932 3.871 3.995 . 0 0 "[ . 1 . 2]" 1
1380 2 42 GLU H 2 43 LEU HA 5.500 . 5.500 5.175 5.081 5.268 . 0 0 "[ . 1 . 2]" 1
1381 2 43 LEU HA 2 48 GLY H 5.500 . 5.500 5.395 5.306 5.501 0.001 16 0 "[ . 1 . 2]" 1
1382 2 11 LEU HA 2 14 MET H 4.450 . 4.450 4.191 3.984 4.425 . 0 0 "[ . 1 . 2]" 1
1383 2 29 VAL HB 2 35 LEU HA 3.850 . 3.850 3.419 3.230 3.556 . 0 0 "[ . 1 . 2]" 1
1384 2 35 LEU HA 2 38 LEU HG 4.250 . 4.250 2.855 2.607 3.033 . 0 0 "[ . 1 . 2]" 1
1385 2 11 LEU HA 2 14 MET HG2 4.100 . 4.100 3.416 3.177 3.580 . 0 0 "[ . 1 . 2]" 1
1386 2 35 LEU HA 2 37 ALA H 4.210 . 4.210 4.038 3.966 4.074 . 0 0 "[ . 1 . 2]" 1
1387 2 11 LEU HB2 2 12 LEU HG 3.610 . 3.610 2.744 2.667 2.818 . 0 0 "[ . 1 . 2]" 1
1388 2 35 LEU HG 2 36 ALA HA 4.530 . 4.530 3.366 3.204 3.443 . 0 0 "[ . 1 . 2]" 1
1389 2 32 ILE HA 2 35 LEU HG 4.000 . 4.000 4.049 4.014 4.066 0.066 8 0 "[ . 1 . 2]" 1
1390 2 35 LEU H 2 35 LEU HG 4.370 . 4.370 4.335 4.255 4.364 . 0 0 "[ . 1 . 2]" 1
1391 2 35 LEU HG 2 36 ALA H 4.160 . 4.160 3.207 2.945 3.303 . 0 0 "[ . 1 . 2]" 1
1392 2 35 LEU HG 2 60 ILE HG12 4.210 . 4.210 3.546 3.320 3.728 . 0 0 "[ . 1 . 2]" 1
1393 2 35 LEU HB3 2 35 LEU HG 2.920 . 2.920 2.498 2.475 2.521 . 0 0 "[ . 1 . 2]" 1
1394 2 22 CYS HB2 2 26 MET ME 4.580 . 4.580 4.183 4.067 4.349 . 0 0 "[ . 1 . 2]" 1
1395 2 44 THR HB 2 53 ALA MB 4.110 . 4.110 4.116 4.072 4.155 0.045 19 0 "[ . 1 . 2]" 1
1396 2 44 THR MG 2 50 ALA HA 2.870 . 2.870 1.925 1.811 1.997 . 0 0 "[ . 1 . 2]" 1
1397 2 44 THR HA 2 44 THR MG 2.960 . 2.960 2.153 2.115 2.203 . 0 0 "[ . 1 . 2]" 1
1398 2 44 THR H 2 44 THR MG 3.260 . 3.260 2.935 2.720 3.187 . 0 0 "[ . 1 . 2]" 1
1399 2 44 THR MG 2 53 ALA H 3.920 . 3.920 3.810 3.731 3.925 0.005 19 0 "[ . 1 . 2]" 1
1400 2 9 ASP H 2 10 PHE HA 5.430 . 5.430 5.051 5.001 5.105 . 0 0 "[ . 1 . 2]" 1
1401 2 10 PHE HA 2 13 LYS HB3 4.390 . 4.390 4.017 3.802 4.282 . 0 0 "[ . 1 . 2]" 1
1402 1 10 PHE HB2 2 59 PHE HZ 4.440 . 4.440 3.757 3.200 4.230 . 0 0 "[ . 1 . 2]" 1
1403 2 15 PRO HD3 2 59 PHE HB2 4.040 . 4.040 3.092 2.699 3.448 . 0 0 "[ . 1 . 2]" 1
1404 2 58 ASP HB3 2 59 PHE HB2 4.600 . 4.600 3.918 3.790 4.129 . 0 0 "[ . 1 . 2]" 1
1405 2 55 GLN H 2 55 GLN HB3 3.780 . 3.780 3.518 3.465 3.547 . 0 0 "[ . 1 . 2]" 1
1406 1 3 TYR HA 2 65 ALA MB 4.540 . 4.540 2.615 1.998 3.196 . 0 0 "[ . 1 . 2]" 1
1407 2 27 HIS HA 2 29 VAL H 4.940 . 4.940 4.105 3.916 4.356 . 0 0 "[ . 1 . 2]" 1
1408 1 3 TYR QE 2 65 ALA HA 4.980 . 4.980 4.982 4.751 5.115 0.135 11 0 "[ . 1 . 2]" 1
1409 2 38 LEU HA 2 38 LEU HG 3.910 . 3.910 3.173 3.126 3.229 . 0 0 "[ . 1 . 2]" 1
1410 2 38 LEU HA 2 42 GLU H 5.500 . 5.500 5.410 5.270 5.548 0.048 1 0 "[ . 1 . 2]" 1
1411 2 38 LEU HA 2 42 GLU HB3 4.250 . 4.250 3.579 3.313 3.926 . 0 0 "[ . 1 . 2]" 1
1412 1 10 PHE HB3 2 59 PHE QE 5.500 . 5.500 4.143 3.760 4.487 . 0 0 "[ . 1 . 2]" 1
1413 2 57 TYR HA 2 60 ILE HB 3.980 . 3.980 2.503 2.236 2.815 . 0 0 "[ . 1 . 2]" 1
1414 2 43 LEU MD2 2 57 TYR HA 4.670 . 4.670 3.414 3.282 3.575 . 0 0 "[ . 1 . 2]" 1
1415 2 5 PRO HA 2 9 ASP HB3 4.250 . 4.250 4.007 3.576 4.310 0.060 13 0 "[ . 1 . 2]" 1
1416 2 7 PRO HA 2 10 PHE HB3 4.140 . 4.140 3.398 3.109 3.596 . 0 0 "[ . 1 . 2]" 1
1417 2 7 PRO HA 2 10 PHE HB2 4.400 . 4.400 2.140 2.008 2.239 . 0 0 "[ . 1 . 2]" 1
1418 2 7 PRO HA 2 10 PHE H 4.610 . 4.610 3.347 3.208 3.458 . 0 0 "[ . 1 . 2]" 1
1419 2 29 VAL HB 2 31 ASN H 3.980 . 3.980 3.099 3.002 3.189 . 0 0 "[ . 1 . 2]" 1
1420 2 29 VAL HA 2 29 VAL MG1 3.300 . 3.300 2.428 2.344 2.491 . 0 0 "[ . 1 . 2]" 1
1421 1 63 SER HA 2 31 ASN HA 4.530 . 4.530 3.851 3.596 4.100 . 0 0 "[ . 1 . 2]" 1
1422 1 30 LYS HA 2 64 PHE QD 5.500 . 5.500 4.666 4.408 4.929 . 0 0 "[ . 1 . 2]" 1
1423 1 63 SER HA 2 31 ASN HB3 4.160 . 4.160 2.132 1.907 2.418 . 0 0 "[ . 1 . 2]" 1
1424 1 63 SER HA 2 31 ASN HB2 4.500 . 4.500 3.780 3.544 4.051 . 0 0 "[ . 1 . 2]" 1
1425 1 7 PRO HB2 2 64 PHE QE 3.910 . 3.910 2.703 2.466 3.180 . 0 0 "[ . 1 . 2]" 1
1426 1 7 PRO HD2 2 62 THR MG 4.210 . 4.210 3.425 3.171 3.790 . 0 0 "[ . 1 . 2]" 1
1427 2 57 TYR QD 2 58 ASP HA 4.680 . 4.680 3.898 3.354 4.395 . 0 0 "[ . 1 . 2]" 1
1428 2 8 GLN HE22 2 9 ASP HB2 4.240 . 4.240 3.793 3.401 4.216 . 0 0 "[ . 1 . 2]" 1
1429 2 8 GLN HE22 2 9 ASP HB3 5.500 . 5.500 5.264 4.934 5.515 0.015 1 0 "[ . 1 . 2]" 1
1430 2 5 PRO HA 2 9 ASP HB2 3.870 . 3.870 2.641 2.244 2.989 . 0 0 "[ . 1 . 2]" 1
1431 2 59 PHE HA 2 61 HIS H 4.660 . 4.660 4.086 3.951 4.261 . 0 0 "[ . 1 . 2]" 1
1432 2 62 THR H 2 62 THR MG 3.990 . 3.990 3.768 3.727 3.788 . 0 0 "[ . 1 . 2]" 1
1433 2 62 THR MG 2 64 PHE H 5.070 . 5.070 4.671 4.445 4.909 . 0 0 "[ . 1 . 2]" 1
1434 2 62 THR MG 2 63 SER HA 4.500 . 4.500 4.109 3.973 4.270 . 0 0 "[ . 1 . 2]" 1
1435 2 64 PHE HA 2 65 ALA MB 5.030 . 5.030 4.635 4.141 4.852 . 0 0 "[ . 1 . 2]" 1
1436 2 56 LEU H 2 57 TYR HB2 5.500 . 5.500 5.114 4.979 5.241 . 0 0 "[ . 1 . 2]" 1
1437 2 56 LEU H 2 57 TYR HB3 5.500 . 5.500 4.943 4.737 5.086 . 0 0 "[ . 1 . 2]" 1
1438 2 10 PHE HB2 2 11 LEU HG 4.840 . 4.840 4.146 3.862 4.327 . 0 0 "[ . 1 . 2]" 1
1439 2 14 MET HB3 2 59 PHE HB2 5.290 . 5.290 4.102 3.811 4.380 . 0 0 "[ . 1 . 2]" 1
1440 2 14 MET HB3 2 59 PHE HB3 5.500 . 5.500 3.792 3.618 4.026 . 0 0 "[ . 1 . 2]" 1
1441 2 10 PHE HB2 2 32 ILE MG 5.390 . 5.390 5.295 5.164 5.396 0.006 20 0 "[ . 1 . 2]" 1
1442 1 60 ILE HA 2 32 ILE MD 4.670 . 4.670 3.965 3.829 4.153 . 0 0 "[ . 1 . 2]" 1
1443 2 60 ILE HA 2 60 ILE HG12 4.170 . 4.170 2.634 2.547 2.693 . 0 0 "[ . 1 . 2]" 1
1444 2 60 ILE H 2 60 ILE HG12 4.030 . 4.030 3.617 3.526 3.701 . 0 0 "[ . 1 . 2]" 1
1445 2 14 MET HB3 2 15 PRO HD3 4.510 . 4.510 3.403 3.212 3.541 . 0 0 "[ . 1 . 2]" 1
1446 2 45 SER HB2 2 46 ILE HA 5.410 . 5.410 4.383 4.230 4.573 . 0 0 "[ . 1 . 2]" 1
1447 2 45 SER HB3 2 46 ILE HA 5.410 . 5.410 4.691 4.547 4.831 . 0 0 "[ . 1 . 2]" 1
1448 2 46 ILE HA 2 47 LEU HG 5.460 . 5.460 5.271 5.195 5.372 . 0 0 "[ . 1 . 2]" 1
1449 2 47 LEU H 2 48 GLY HA2 4.960 . 4.960 4.820 4.742 4.865 . 0 0 "[ . 1 . 2]" 1
1450 2 47 LEU H 2 48 GLY HA3 5.280 . 5.280 5.124 5.074 5.158 . 0 0 "[ . 1 . 2]" 1
1451 2 44 THR HA 2 48 GLY HA2 4.580 . 4.580 4.217 4.041 4.400 . 0 0 "[ . 1 . 2]" 1
1452 2 49 ASN HB3 2 51 ALA H 4.630 . 4.630 4.370 4.308 4.421 . 0 0 "[ . 1 . 2]" 1
1453 2 40 GLN HE22 2 50 ALA HA 4.670 . 4.670 3.573 3.265 4.297 . 0 0 "[ . 1 . 2]" 1
1454 2 49 ASN HA 2 50 ALA HA 4.480 . 4.480 4.335 4.323 4.356 . 0 0 "[ . 1 . 2]" 1
1455 2 44 THR HB 2 50 ALA HA 4.680 . 4.680 4.499 4.298 4.697 0.017 13 0 "[ . 1 . 2]" 1
1456 2 40 GLN HE21 2 50 ALA HA 5.240 . 5.240 4.515 4.193 4.904 . 0 0 "[ . 1 . 2]" 1
1457 2 50 ALA MB 2 51 ALA H 3.050 . 3.050 2.583 2.541 2.629 . 0 0 "[ . 1 . 2]" 1
1458 2 51 ALA HA 2 54 LYS HB2 4.170 . 4.170 3.823 3.558 4.115 . 0 0 "[ . 1 . 2]" 1
1459 2 51 ALA HA 2 55 GLN H 4.580 . 4.580 3.957 3.857 4.110 . 0 0 "[ . 1 . 2]" 1
1460 2 51 ALA MB 2 55 GLN HE22 4.050 . 4.050 3.518 3.002 3.966 . 0 0 "[ . 1 . 2]" 1
1461 2 51 ALA MB 2 52 ASN HD21 4.040 . 4.040 3.007 2.880 3.323 . 0 0 "[ . 1 . 2]" 1
1462 2 52 ASN HA 2 55 GLN H 4.310 . 4.310 3.674 3.534 3.827 . 0 0 "[ . 1 . 2]" 1
1463 2 52 ASN HA 2 55 GLN HB2 3.940 . 3.940 2.619 2.389 2.845 . 0 0 "[ . 1 . 2]" 1
1464 2 52 ASN HA 2 55 GLN HB3 4.230 . 4.230 4.062 3.765 4.225 . 0 0 "[ . 1 . 2]" 1
1465 2 21 ASN HD21 2 52 ASN HB3 4.720 . 4.720 2.769 2.498 3.211 . 0 0 "[ . 1 . 2]" 1
1466 2 54 LYS HA 2 57 TYR QD 5.210 . 5.210 4.155 3.731 4.376 . 0 0 "[ . 1 . 2]" 1
1467 2 8 GLN HA 2 8 GLN HG2 3.540 . 3.540 2.523 2.410 2.680 . 0 0 "[ . 1 . 2]" 1
1468 2 40 GLN HG3 2 54 LYS HA 4.330 . 4.330 3.462 2.843 3.884 . 0 0 "[ . 1 . 2]" 1
1469 2 40 GLN HE21 2 54 LYS HB3 4.600 . 4.600 3.992 3.832 4.075 . 0 0 "[ . 1 . 2]" 1
1470 2 18 ASN HD21 2 20 LYS HB2 5.000 . 5.000 4.351 4.237 4.481 . 0 0 "[ . 1 . 2]" 1
1471 2 18 ASN HD21 2 20 LYS HB3 5.410 . 5.410 4.710 4.479 5.005 . 0 0 "[ . 1 . 2]" 1
1472 2 7 PRO HB2 2 10 PHE HB2 5.260 . 5.260 4.479 4.315 4.694 . 0 0 "[ . 1 . 2]" 1
1473 2 7 PRO HB3 2 10 PHE HB2 5.500 . 5.500 4.364 4.225 4.506 . 0 0 "[ . 1 . 2]" 1
1474 2 26 MET HA 2 26 MET HG2 3.880 . 3.880 3.673 3.637 3.722 . 0 0 "[ . 1 . 2]" 1
1475 2 56 LEU HA 2 60 ILE MD 4.500 . 4.500 4.328 4.127 4.506 0.006 9 0 "[ . 1 . 2]" 1
1476 2 23 ARG HA 2 26 MET HG2 4.580 . 4.580 2.477 2.301 2.738 . 0 0 "[ . 1 . 2]" 1
1477 2 3 TYR HB3 2 26 MET ME 4.410 . 4.410 3.866 3.523 4.381 . 0 0 "[ . 1 . 2]" 1
1478 2 3 TYR QD 2 26 MET HB3 5.200 . 5.200 4.715 4.247 5.150 . 0 0 "[ . 1 . 2]" 1
1479 2 3 TYR QD 2 26 MET HB2 5.500 . 5.500 4.155 3.581 4.751 . 0 0 "[ . 1 . 2]" 1
1480 2 13 LYS HB3 2 13 LYS HD3 3.470 . 3.470 2.492 2.192 3.317 . 0 0 "[ . 1 . 2]" 1
1481 2 8 GLN HG2 2 26 MET HB3 5.260 . 5.260 4.951 4.674 5.230 . 0 0 "[ . 1 . 2]" 1
1482 2 9 ASP HA 2 12 LEU HB2 4.330 . 4.330 3.371 3.083 3.710 . 0 0 "[ . 1 . 2]" 1
1483 2 55 GLN HA 2 58 ASP HB2 4.280 . 4.280 2.938 2.463 3.256 . 0 0 "[ . 1 . 2]" 1
1484 2 55 GLN HA 2 55 GLN HG3 3.270 . 3.270 2.593 2.420 2.754 . 0 0 "[ . 1 . 2]" 1
1485 2 16 GLY HA2 2 55 GLN HA 5.430 . 5.430 5.398 5.186 5.477 0.047 5 0 "[ . 1 . 2]" 1
1486 2 16 GLY HA3 2 55 GLN HA 4.550 . 4.550 4.401 4.298 4.495 . 0 0 "[ . 1 . 2]" 1
1487 2 55 GLN HG2 2 56 LEU H 5.100 . 5.100 5.084 4.992 5.147 0.047 13 0 "[ . 1 . 2]" 1
1488 2 16 GLY HA3 2 55 GLN HG2 4.420 . 4.420 4.449 4.379 4.483 0.063 11 0 "[ . 1 . 2]" 1
1489 2 51 ALA MB 2 55 GLN HG2 5.500 . 5.500 5.290 5.076 5.521 0.021 14 0 "[ . 1 . 2]" 1
1490 2 45 SER H 2 46 ILE HB 5.080 . 5.080 4.892 4.724 5.001 . 0 0 "[ . 1 . 2]" 1
1491 2 46 ILE HB 2 47 LEU HG 4.320 . 4.320 2.915 2.749 3.128 . 0 0 "[ . 1 . 2]" 1
1492 2 38 LEU QD 2 46 ILE HB 4.450 . 4.450 3.587 3.395 3.771 . 0 0 "[ . 1 . 2]" 1
1493 2 32 ILE HA 2 35 LEU HB3 4.010 . 4.010 2.011 1.971 2.057 . 0 0 "[ . 1 . 2]" 1
1494 2 32 ILE HA 2 35 LEU HB2 4.070 . 4.070 3.027 2.936 3.125 . 0 0 "[ . 1 . 2]" 1
1495 2 32 ILE HA 2 35 LEU HA 4.900 . 4.900 4.874 4.817 4.918 0.018 11 0 "[ . 1 . 2]" 1
1496 2 17 VAL HA 2 21 ASN HD21 4.130 . 4.130 3.645 2.964 4.157 0.027 18 0 "[ . 1 . 2]" 1
1497 2 17 VAL HA 2 18 ASN HB2 5.500 . 5.500 5.230 5.144 5.362 . 0 0 "[ . 1 . 2]" 1
1498 2 15 PRO HA 2 17 VAL H 4.210 . 4.210 4.175 4.092 4.246 0.036 1 0 "[ . 1 . 2]" 1
1499 2 15 PRO HA 2 16 GLY HA2 4.670 . 4.670 4.471 4.443 4.508 . 0 0 "[ . 1 . 2]" 1
1500 2 15 PRO HB2 2 16 GLY HA2 4.630 . 4.630 4.528 4.327 4.607 . 0 0 "[ . 1 . 2]" 1
1501 2 15 PRO HB3 2 16 GLY H 4.610 . 4.610 4.469 4.355 4.535 . 0 0 "[ . 1 . 2]" 1
1502 2 15 PRO HB2 2 55 GLN HE22 5.500 . 5.500 5.406 5.260 5.530 0.030 17 0 "[ . 1 . 2]" 1
1503 1 7 PRO HG2 2 64 PHE HA 3.930 . 3.930 1.985 1.847 2.317 . 0 0 "[ . 1 . 2]" 1
1504 1 7 PRO HG2 2 64 PHE QD 4.130 . 4.130 2.824 2.525 3.223 . 0 0 "[ . 1 . 2]" 1
1505 2 15 PRO HD2 2 59 PHE QD 4.620 . 4.620 3.502 3.282 3.822 . 0 0 "[ . 1 . 2]" 1
1506 2 14 MET HA 2 15 PRO HD3 3.830 . 3.830 2.278 2.192 2.368 . 0 0 "[ . 1 . 2]" 1
1507 2 14 MET HA 2 59 PHE QD 4.490 . 4.490 4.222 3.983 4.413 . 0 0 "[ . 1 . 2]" 1
1508 2 14 MET HA 2 14 MET HG3 4.050 . 4.050 3.799 3.771 3.824 . 0 0 "[ . 1 . 2]" 1
1509 2 14 MET HB2 2 17 VAL HA 4.940 . 4.940 4.834 4.705 4.961 0.021 18 0 "[ . 1 . 2]" 1
1510 2 13 LYS H 2 14 MET HG2 4.380 . 4.380 3.599 3.488 3.752 . 0 0 "[ . 1 . 2]" 1
1511 2 13 LYS H 2 14 MET HG3 4.790 . 4.790 4.814 4.688 4.855 0.065 14 0 "[ . 1 . 2]" 1
1512 1 31 ASN HA 2 64 PHE QE 4.540 . 4.540 2.533 2.456 2.680 . 0 0 "[ . 1 . 2]" 1
1513 2 31 ASN HA 2 35 LEU H 5.330 . 5.330 4.891 4.819 5.071 . 0 0 "[ . 1 . 2]" 1
1514 2 31 ASN HA 2 34 GLU HB2 5.500 . 5.500 5.066 4.993 5.255 . 0 0 "[ . 1 . 2]" 1
1515 2 20 LYS HA 2 21 ASN HA 4.700 . 4.700 4.582 4.530 4.721 0.021 11 0 "[ . 1 . 2]" 1
1516 2 30 LYS HA 2 31 ASN HA 5.500 . 5.500 4.698 4.671 4.722 . 0 0 "[ . 1 . 2]" 1
1517 2 27 HIS HB2 2 29 VAL H 5.500 . 5.500 5.287 5.202 5.372 . 0 0 "[ . 1 . 2]" 1
1518 2 27 HIS HB3 2 29 VAL H 5.500 . 5.500 5.429 5.297 5.533 0.033 4 0 "[ . 1 . 2]" 1
1519 2 28 HIS HB2 2 46 ILE MG 4.110 . 4.110 2.295 2.068 2.530 . 0 0 "[ . 1 . 2]" 1
1520 2 25 LEU HG 2 29 VAL H 4.890 . 4.890 4.929 4.844 4.972 0.082 15 0 "[ . 1 . 2]" 1
1521 2 24 SER HA 2 27 HIS HD2 4.860 . 4.860 4.887 4.482 5.055 0.195 5 0 "[ . 1 . 2]" 1
1522 2 23 ARG H 2 23 ARG HB2 3.710 . 3.710 3.605 3.587 3.622 . 0 0 "[ . 1 . 2]" 1
1523 2 7 PRO HG2 2 8 GLN HB2 3.850 . 3.850 3.805 3.662 3.871 0.021 7 0 "[ . 1 . 2]" 1
1524 2 21 ASN HA 2 23 ARG H 4.340 . 4.340 4.062 3.907 4.396 0.056 11 0 "[ . 1 . 2]" 1
1525 2 21 ASN HA 2 47 LEU MD2 4.400 . 4.400 4.060 3.637 4.468 0.068 12 0 "[ . 1 . 2]" 1
1526 2 4 ASN HB3 2 6 GLY H 4.780 . 4.780 3.380 2.411 4.474 . 0 0 "[ . 1 . 2]" 1
1527 2 4 ASN HB3 2 5 PRO HD2 4.270 . 4.270 2.957 2.241 3.438 . 0 0 "[ . 1 . 2]" 1
1528 2 4 ASN HB2 2 5 PRO HD2 4.270 . 4.270 3.100 1.864 4.246 . 0 0 "[ . 1 . 2]" 1
1529 2 18 ASN HA 2 19 ALA HA 4.410 . 4.410 4.298 4.270 4.323 . 0 0 "[ . 1 . 2]" 1
1530 2 50 ALA MB 2 53 ALA H 4.850 . 4.850 4.565 4.502 4.605 . 0 0 "[ . 1 . 2]" 1
1531 2 12 LEU HA 2 12 LEU MD1 4.000 . 4.000 3.967 3.915 3.991 . 0 0 "[ . 1 . 2]" 1
1532 2 43 LEU HA 2 45 SER H 4.420 . 4.420 4.193 4.103 4.305 . 0 0 "[ . 1 . 2]" 1
1533 2 11 LEU MD1 2 26 MET ME 4.270 . 4.270 2.027 1.942 2.181 . 0 0 "[ . 1 . 2]" 1
1534 2 11 LEU MD2 2 26 MET ME 4.270 . 4.270 4.133 4.053 4.194 . 0 0 "[ . 1 . 2]" 1
1535 2 11 LEU H 2 11 LEU MD1 4.250 . 4.250 3.462 3.334 3.603 . 0 0 "[ . 1 . 2]" 1
1536 2 11 LEU MD1 2 25 LEU HB3 4.490 . 4.490 2.739 2.367 3.338 . 0 0 "[ . 1 . 2]" 1
1537 2 8 GLN HB3 2 8 GLN HE21 4.510 . 4.510 3.403 3.215 3.628 . 0 0 "[ . 1 . 2]" 1
1538 2 15 PRO HG2 2 59 PHE QD 4.260 . 4.260 3.898 3.702 4.206 . 0 0 "[ . 1 . 2]" 1
1539 2 32 ILE MG 2 36 ALA H 4.090 . 4.090 3.803 3.700 3.904 . 0 0 "[ . 1 . 2]" 1
1540 2 10 PHE QE 2 32 ILE MG 4.230 . 4.230 3.746 3.295 4.088 . 0 0 "[ . 1 . 2]" 1
1541 1 32 ILE MG 2 64 PHE QE 5.500 . 5.500 5.538 5.486 5.601 0.101 16 0 "[ . 1 . 2]" 1
1542 2 10 PHE QD 2 32 ILE MG 4.180 . 4.180 3.241 2.962 3.493 . 0 0 "[ . 1 . 2]" 1
1543 1 32 ILE MG 2 36 ALA HA 4.520 . 4.520 3.923 3.617 4.171 . 0 0 "[ . 1 . 2]" 1
1544 2 32 ILE MG 2 35 LEU HB2 4.670 . 4.670 4.437 4.367 4.526 . 0 0 "[ . 1 . 2]" 1
1545 2 32 ILE HA 2 32 ILE HG12 4.150 . 4.150 3.113 3.059 3.185 . 0 0 "[ . 1 . 2]" 1
1546 2 36 ALA H 2 60 ILE MD 4.940 . 4.940 4.548 4.390 4.630 . 0 0 "[ . 1 . 2]" 1
1547 2 37 ALA H 2 60 ILE MD 5.110 . 5.110 4.810 4.710 4.923 . 0 0 "[ . 1 . 2]" 1
1548 2 38 LEU H 2 60 ILE MD 4.540 . 4.540 4.004 3.793 4.314 . 0 0 "[ . 1 . 2]" 1
1549 2 60 ILE HG13 2 60 ILE MG 3.260 . 3.260 3.185 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
1550 2 36 ALA H 2 60 ILE MG 4.810 . 4.810 4.581 4.398 4.764 . 0 0 "[ . 1 . 2]" 1
1551 1 60 ILE MG 2 32 ILE H 4.570 . 4.570 4.199 3.908 4.550 . 0 0 "[ . 1 . 2]" 1
1552 2 37 ALA H 2 60 ILE MG 5.100 . 5.100 4.768 4.645 4.935 . 0 0 "[ . 1 . 2]" 1
1553 2 28 HIS HE1 2 46 ILE MD 4.550 . 4.550 4.129 3.379 4.660 0.110 20 0 "[ . 1 . 2]" 1
1554 2 43 LEU H 2 46 ILE MD 4.810 . 4.810 3.786 3.600 3.940 . 0 0 "[ . 1 . 2]" 1
1555 2 46 ILE MD 2 47 LEU H 4.050 . 4.050 3.926 3.690 4.104 0.054 20 0 "[ . 1 . 2]" 1
1556 2 28 HIS HB2 2 46 ILE MD 3.790 . 3.790 3.595 3.171 3.829 0.039 4 0 "[ . 1 . 2]" 1
1557 2 46 ILE MD 2 47 LEU HG 4.380 . 4.380 4.095 3.746 4.395 0.015 15 0 "[ . 1 . 2]" 1
1558 2 42 GLU HB3 2 46 ILE MD 3.790 . 3.790 2.457 2.254 2.610 . 0 0 "[ . 1 . 2]" 1
1559 2 46 ILE HG13 2 46 ILE MG 3.470 . 3.470 3.149 3.114 3.173 . 0 0 "[ . 1 . 2]" 1
1560 2 46 ILE HB 2 46 ILE MD 3.170 . 3.170 2.259 2.186 2.291 . 0 0 "[ . 1 . 2]" 1
1561 2 46 ILE MG 2 47 LEU HA 3.760 . 3.760 3.442 3.283 3.586 . 0 0 "[ . 1 . 2]" 1
1562 2 46 ILE H 2 47 LEU HA 5.500 . 5.500 5.072 4.991 5.179 . 0 0 "[ . 1 . 2]" 1
1563 2 47 LEU H 2 47 LEU HB2 4.040 . 4.040 2.562 2.499 2.620 . 0 0 "[ . 1 . 2]" 1
1564 2 47 LEU MD1 2 49 ASN H 4.060 . 4.060 4.052 3.969 4.120 0.060 9 0 "[ . 1 . 2]" 1
1565 2 47 LEU MD1 2 52 ASN HA 4.130 . 4.130 3.900 3.743 4.059 . 0 0 "[ . 1 . 2]" 1
1566 2 43 LEU HB2 2 47 LEU HG 5.380 . 5.380 4.735 4.585 4.953 . 0 0 "[ . 1 . 2]" 1
1567 2 43 LEU HB2 2 56 LEU HB3 5.500 . 5.500 4.862 4.681 5.092 . 0 0 "[ . 1 . 2]" 1
1568 2 41 ASP HA 2 43 LEU HB2 5.260 . 5.260 5.209 5.049 5.304 0.044 17 0 "[ . 1 . 2]" 1
1569 2 43 LEU HB3 2 47 LEU MD1 4.810 . 4.810 2.266 2.036 2.383 . 0 0 "[ . 1 . 2]" 1
1570 2 43 LEU HB3 2 53 ALA HA 4.520 . 4.520 2.025 1.930 2.127 . 0 0 "[ . 1 . 2]" 1
1571 2 43 LEU HA 2 43 LEU HG 3.890 . 3.890 3.556 3.532 3.580 . 0 0 "[ . 1 . 2]" 1
1572 2 43 LEU HB3 2 43 LEU MD2 3.220 . 3.220 3.148 3.139 3.158 . 0 0 "[ . 1 . 2]" 1
1573 2 42 GLU H 2 43 LEU MD2 3.870 . 3.870 3.872 3.781 3.942 0.072 9 0 "[ . 1 . 2]" 1
1574 2 42 GLU H 2 43 LEU HB2 4.730 . 4.730 4.527 4.360 4.645 . 0 0 "[ . 1 . 2]" 1
1575 2 43 LEU H 2 43 LEU MD1 4.860 . 4.860 3.464 3.389 3.574 . 0 0 "[ . 1 . 2]" 1
1576 2 43 LEU MD1 2 44 THR H 5.500 . 5.500 4.560 4.535 4.580 . 0 0 "[ . 1 . 2]" 1
1577 2 32 ILE MG 2 35 LEU H 4.660 . 4.660 4.599 4.558 4.650 . 0 0 "[ . 1 . 2]" 1
1578 2 32 ILE HG12 2 32 ILE MG 3.570 . 3.570 3.203 3.197 3.210 . 0 0 "[ . 1 . 2]" 1
1579 2 32 ILE H 2 32 ILE MD 3.990 . 3.990 3.055 2.893 3.191 . 0 0 "[ . 1 . 2]" 1
1580 2 32 ILE HA 2 32 ILE MD 3.760 . 3.760 2.269 2.218 2.386 . 0 0 "[ . 1 . 2]" 1
1581 2 7 PRO HA 2 32 ILE MD 3.830 . 3.830 2.287 2.095 2.574 . 0 0 "[ . 1 . 2]" 1
1582 2 31 ASN HB2 2 32 ILE MD 4.290 . 4.290 3.738 3.557 3.869 . 0 0 "[ . 1 . 2]" 1
1583 2 31 ASN HA 2 32 ILE MD 4.310 . 4.310 4.211 4.043 4.326 0.016 11 0 "[ . 1 . 2]" 1
1584 2 10 PHE HZ 2 32 ILE MD 5.270 . 5.270 5.225 5.019 5.292 0.022 19 0 "[ . 1 . 2]" 1
1585 2 10 PHE H 2 32 ILE MD 4.640 . 4.640 4.627 4.545 4.687 0.047 16 0 "[ . 1 . 2]" 1
1586 2 29 VAL MG2 2 34 GLU HB3 4.060 . 4.060 3.848 3.650 4.073 0.013 14 0 "[ . 1 . 2]" 1
1587 2 59 PHE HB3 2 60 ILE HG13 4.850 . 4.850 3.313 3.162 3.424 . 0 0 "[ . 1 . 2]" 1
1588 1 10 PHE HB2 2 59 PHE QE 5.160 . 5.160 3.504 3.109 3.789 . 0 0 "[ . 1 . 2]" 1
1589 2 45 SER HA 2 48 GLY H 4.910 . 4.910 4.304 4.135 4.497 . 0 0 "[ . 1 . 2]" 1
1590 2 24 SER HB3 2 46 ILE HA 4.680 . 4.680 3.951 3.536 4.714 0.034 3 0 "[ . 1 . 2]" 1
1591 2 36 ALA HA 2 37 ALA HA 4.800 . 4.800 4.724 4.700 4.751 . 0 0 "[ . 1 . 2]" 1
1592 2 35 LEU HB3 2 36 ALA HA 5.340 . 5.340 4.650 4.603 4.761 . 0 0 "[ . 1 . 2]" 1
1593 2 36 ALA HA 2 37 ALA MB 5.500 . 5.500 4.932 4.905 4.944 . 0 0 "[ . 1 . 2]" 1
1594 2 35 LEU MD1 2 36 ALA HA 5.070 . 5.070 4.213 3.992 4.320 . 0 0 "[ . 1 . 2]" 1
1595 2 36 ALA HA 2 38 LEU H 4.620 . 4.620 3.700 3.578 3.845 . 0 0 "[ . 1 . 2]" 1
1596 1 7 PRO HA 2 59 PHE HZ 4.430 . 4.430 3.318 2.997 3.772 . 0 0 "[ . 1 . 2]" 1
1597 2 10 PHE HB3 2 32 ILE MD 4.860 . 4.860 2.830 2.666 2.996 . 0 0 "[ . 1 . 2]" 1
1598 2 57 TYR HA 2 58 ASP HA 4.910 . 4.910 4.818 4.768 4.857 . 0 0 "[ . 1 . 2]" 1
1599 2 22 CYS HA 2 25 LEU H 4.040 . 4.040 3.413 3.200 3.742 . 0 0 "[ . 1 . 2]" 1
1600 2 22 CYS HA 2 26 MET ME 4.530 . 4.530 3.697 3.353 3.914 . 0 0 "[ . 1 . 2]" 1
1601 1 31 ASN HB3 2 64 PHE H 4.680 . 4.680 3.260 3.105 3.406 . 0 0 "[ . 1 . 2]" 1
1602 1 31 ASN HB3 2 63 SER H 5.370 . 5.370 4.052 3.819 4.306 . 0 0 "[ . 1 . 2]" 1
1603 1 31 ASN HB3 2 62 THR HB 5.000 . 5.000 4.907 4.696 5.081 0.081 13 0 "[ . 1 . 2]" 1
1604 2 26 MET HB2 2 27 HIS HA 4.620 . 4.620 4.446 4.370 4.525 . 0 0 "[ . 1 . 2]" 1
1605 2 59 PHE HA 2 62 THR HB 3.800 . 3.800 2.647 2.505 2.783 . 0 0 "[ . 1 . 2]" 1
1606 1 62 THR HB 2 7 PRO HB3 4.290 . 4.290 3.435 3.091 3.800 . 0 0 "[ . 1 . 2]" 1
1607 1 62 THR HB 2 7 PRO HG3 4.410 . 4.410 3.012 2.740 3.304 . 0 0 "[ . 1 . 2]" 1
1608 1 6 GLY HA2 2 59 PHE QE 4.670 . 4.670 3.227 2.911 3.650 . 0 0 "[ . 1 . 2]" 1
1609 2 5 PRO HB3 2 9 ASP HB3 5.330 . 5.330 5.225 4.921 5.404 0.074 8 0 "[ . 1 . 2]" 1
1610 2 5 PRO HB3 2 9 ASP HB2 4.300 . 4.300 3.856 3.625 4.084 . 0 0 "[ . 1 . 2]" 1
1611 2 56 LEU HA 2 56 LEU HG 3.980 . 3.980 3.391 3.333 3.457 . 0 0 "[ . 1 . 2]" 1
1612 2 56 LEU HG 2 60 ILE H 5.370 . 5.370 4.939 4.676 5.260 . 0 0 "[ . 1 . 2]" 1
1613 2 40 GLN HB2 2 57 TYR HB2 5.240 . 5.240 4.196 3.901 4.405 . 0 0 "[ . 1 . 2]" 1
1614 2 40 GLN HB2 2 57 TYR HB3 5.240 . 5.240 4.038 3.678 4.393 . 0 0 "[ . 1 . 2]" 1
1615 2 4 ASN HA 2 5 PRO HG2 5.150 . 5.150 4.439 4.283 4.592 . 0 0 "[ . 1 . 2]" 1
1616 2 4 ASN HA 2 5 PRO HG3 5.500 . 5.500 4.463 4.341 4.598 . 0 0 "[ . 1 . 2]" 1
1617 2 3 TYR QD 2 8 GLN HB2 5.080 . 5.080 3.216 3.012 3.413 . 0 0 "[ . 1 . 2]" 1
1618 2 3 TYR QD 2 8 GLN HG3 4.470 . 4.470 3.226 2.808 3.873 . 0 0 "[ . 1 . 2]" 1
1619 2 29 VAL HB 2 31 ASN HA 5.500 . 5.500 4.762 4.573 4.931 . 0 0 "[ . 1 . 2]" 1
1620 2 55 GLN HG3 2 58 ASP HB2 5.500 . 5.500 5.185 4.754 5.429 . 0 0 "[ . 1 . 2]" 1
1621 1 8 GLN HB2 2 65 ALA MB 5.500 . 5.500 5.340 4.939 5.559 0.059 3 0 "[ . 1 . 2]" 1
1622 2 35 LEU HB2 2 36 ALA H 4.240 . 4.240 3.936 3.902 3.995 . 0 0 "[ . 1 . 2]" 1
1623 2 25 LEU MD2 2 35 LEU HB2 4.740 . 4.740 4.226 3.933 4.473 . 0 0 "[ . 1 . 2]" 1
1624 2 38 LEU HA 2 43 LEU H 5.500 . 5.500 5.424 5.258 5.546 0.046 1 0 "[ . 1 . 2]" 1
1625 2 35 LEU HB2 2 36 ALA MB 5.280 . 5.280 5.198 5.165 5.234 . 0 0 "[ . 1 . 2]" 1
1626 2 35 LEU HB3 2 36 ALA MB 4.590 . 4.590 3.882 3.832 3.954 . 0 0 "[ . 1 . 2]" 1
1627 2 38 LEU HB2 2 43 LEU HA 5.500 . 5.500 5.165 5.039 5.278 . 0 0 "[ . 1 . 2]" 1
1628 2 38 LEU QD 2 39 SER H . . 3.500 3.222 3.075 3.357 . 0 0 "[ . 1 . 2]" 1
1629 2 29 VAL H 2 38 LEU QD 4.850 . 4.850 4.453 4.322 4.553 . 0 0 "[ . 1 . 2]" 1
1630 2 38 LEU QD 2 43 LEU H 5.350 . 5.350 4.056 3.955 4.177 . 0 0 "[ . 1 . 2]" 1
1631 2 38 LEU QD 2 46 ILE H 5.130 . 5.130 4.828 4.695 4.917 . 0 0 "[ . 1 . 2]" 1
1632 2 38 LEU HB3 2 43 LEU HA 4.840 . 4.840 4.029 3.884 4.181 . 0 0 "[ . 1 . 2]" 1
1633 2 44 THR HB 2 45 SER HA 4.440 . 4.440 4.028 3.894 4.168 . 0 0 "[ . 1 . 2]" 1
1634 2 47 LEU HG 2 49 ASN H 5.150 . 5.150 4.931 4.777 5.077 . 0 0 "[ . 1 . 2]" 1
1635 2 56 LEU HG 2 58 ASP H 5.360 . 5.360 5.341 5.207 5.416 0.056 4 0 "[ . 1 . 2]" 1
1636 2 25 LEU HG 2 26 MET HA 4.430 . 4.430 3.688 3.353 3.890 . 0 0 "[ . 1 . 2]" 1
1637 2 11 LEU HA 2 25 LEU MD2 3.870 . 3.870 3.404 3.246 3.709 . 0 0 "[ . 1 . 2]" 1
1638 2 22 CYS HA 2 25 LEU MD2 4.080 . 4.080 3.197 2.919 3.593 . 0 0 "[ . 1 . 2]" 1
1639 2 15 PRO HG3 2 59 PHE QE 4.750 . 4.750 4.410 4.184 4.709 . 0 0 "[ . 1 . 2]" 1
1640 2 20 LYS H 2 20 LYS HG3 3.860 . 3.860 3.227 2.780 3.431 . 0 0 "[ . 1 . 2]" 1
1641 2 30 LYS H 2 30 LYS HB2 3.670 . 3.670 3.600 3.567 3.612 . 0 0 "[ . 1 . 2]" 1
1642 1 7 PRO HG3 2 59 PHE QE 5.420 . 5.420 5.162 4.976 5.322 . 0 0 "[ . 1 . 2]" 1
1643 1 7 PRO HG3 2 64 PHE HA 4.550 . 4.550 2.982 2.811 3.308 . 0 0 "[ . 1 . 2]" 1
1644 2 38 LEU HB3 2 38 LEU QD 3.040 . 3.040 2.095 2.081 2.107 . 0 0 "[ . 1 . 2]" 1
1645 2 17 VAL HB 2 18 ASN HA 5.500 . 5.500 4.855 4.526 5.619 0.119 1 0 "[ . 1 . 2]" 1
1646 1 64 PHE QE 2 26 MET HA 4.680 . 4.680 2.518 2.220 2.713 . 0 0 "[ . 1 . 2]" 1
1647 2 16 GLY HA3 2 55 GLN HG3 5.360 . 5.360 4.614 4.443 4.760 . 0 0 "[ . 1 . 2]" 1
1648 2 52 ASN HA 2 55 GLN HG3 5.500 . 5.500 4.559 4.217 5.028 . 0 0 "[ . 1 . 2]" 1
1649 2 29 VAL HA 2 34 GLU HG3 4.840 . 4.840 2.846 2.753 2.960 . 0 0 "[ . 1 . 2]" 1
1650 2 29 VAL HA 2 37 ALA MB 5.500 . 5.500 5.634 5.578 5.681 0.181 19 0 "[ . 1 . 2]" 1
1651 2 26 MET HB2 2 27 HIS HD2 5.260 . 5.260 3.985 3.784 4.310 . 0 0 "[ . 1 . 2]" 1
1652 2 25 LEU HB3 2 26 MET HG2 4.880 . 4.880 3.899 3.708 4.040 . 0 0 "[ . 1 . 2]" 1
1653 2 11 LEU MD1 2 26 MET HG2 5.500 . 5.500 3.634 3.454 3.828 . 0 0 "[ . 1 . 2]" 1
1654 2 26 MET ME 2 27 HIS H 5.500 . 5.500 4.857 4.767 4.925 . 0 0 "[ . 1 . 2]" 1
1655 2 22 CYS HA 2 26 MET HB3 5.500 . 5.500 5.170 4.751 5.478 . 0 0 "[ . 1 . 2]" 1
1656 2 26 MET HG2 2 27 HIS HA 5.200 . 5.200 5.024 4.847 5.162 . 0 0 "[ . 1 . 2]" 1
1657 1 26 MET HG2 2 64 PHE QD 5.310 . 5.310 5.284 5.179 5.347 0.037 16 0 "[ . 1 . 2]" 1
1658 2 3 TYR QD 2 26 MET HG2 5.500 . 5.500 5.487 5.080 5.621 0.121 6 0 "[ . 1 . 2]" 1
1659 2 11 LEU MD2 2 26 MET HG2 5.500 . 5.500 5.569 5.535 5.606 0.106 18 0 "[ . 1 . 2]" 1
1660 2 25 LEU HG 2 26 MET HG2 5.500 . 5.500 5.405 5.170 5.511 0.011 17 0 "[ . 1 . 2]" 1
1661 2 27 HIS HB2 2 46 ILE MG 5.500 . 5.500 5.002 4.784 5.165 . 0 0 "[ . 1 . 2]" 1
1662 2 27 HIS HB3 2 46 ILE MG 5.500 . 5.500 5.577 5.379 5.647 0.147 8 0 "[ . 1 . 2]" 1
1663 2 7 PRO HB2 2 32 ILE H 5.500 . 5.500 4.551 4.356 4.902 . 0 0 "[ . 1 . 2]" 1
1664 2 7 PRO HB3 2 32 ILE H 5.500 . 5.500 4.225 3.886 4.664 . 0 0 "[ . 1 . 2]" 1
1665 2 10 PHE HB3 2 13 LYS HB2 4.970 . 4.970 4.666 4.506 4.937 . 0 0 "[ . 1 . 2]" 1
1666 2 3 TYR HB3 2 8 GLN H 5.500 . 5.500 5.370 4.803 5.563 0.063 17 0 "[ . 1 . 2]" 1
1667 2 2 LYS HA 2 3 TYR HB2 5.280 . 5.280 4.910 4.501 5.358 0.078 9 0 "[ . 1 . 2]" 1
1668 2 40 GLN HG3 2 57 TYR HB2 5.500 . 5.500 4.508 3.801 4.767 . 0 0 "[ . 1 . 2]" 1
1669 2 40 GLN HG3 2 57 TYR HB3 5.500 . 5.500 3.645 2.854 3.985 . 0 0 "[ . 1 . 2]" 1
1670 2 15 PRO HB3 2 59 PHE HB2 5.500 . 5.500 4.943 4.662 5.331 . 0 0 "[ . 1 . 2]" 1
1671 2 10 PHE HB2 2 32 ILE MD 4.640 . 4.640 3.013 2.900 3.102 . 0 0 "[ . 1 . 2]" 1
1672 1 10 PHE HB3 2 10 PHE HZ 5.160 . 5.160 4.594 3.939 5.145 . 0 0 "[ . 1 . 2]" 1
1673 1 10 PHE HB3 2 59 PHE HZ 5.500 . 5.500 5.143 4.696 5.510 0.010 19 0 "[ . 1 . 2]" 1
1674 2 9 ASP HB2 2 10 PHE HA 5.500 . 5.500 5.531 5.443 5.547 0.047 8 0 "[ . 1 . 2]" 1
1675 2 10 PHE HA 2 13 LYS HG2 4.410 . 4.410 2.968 2.148 3.459 . 0 0 "[ . 1 . 2]" 1
1676 2 10 PHE HA 2 13 LYS HG3 4.400 . 4.400 2.771 2.308 3.197 . 0 0 "[ . 1 . 2]" 1
1677 2 10 PHE HA 2 35 LEU MD2 5.280 . 5.280 5.366 5.239 5.423 0.143 20 0 "[ . 1 . 2]" 1
1678 2 10 PHE HA 2 14 MET HG2 5.500 . 5.500 5.152 4.850 5.511 0.011 13 0 "[ . 1 . 2]" 1
1679 1 59 PHE QD 2 32 ILE HG13 4.620 . 4.620 2.653 2.466 2.774 . 0 0 "[ . 1 . 2]" 1
1680 1 64 PHE QD 2 11 LEU HG 5.490 . 5.490 3.869 3.535 4.288 . 0 0 "[ . 1 . 2]" 1
1681 2 64 PHE QD 2 65 ALA MB 5.500 . 5.500 4.843 4.604 4.945 . 0 0 "[ . 1 . 2]" 1
1682 2 14 MET HB3 2 15 PRO HB3 5.500 . 5.500 5.523 5.464 5.582 0.082 9 0 "[ . 1 . 2]" 1
1683 1 7 PRO HG2 2 62 THR MG 3.920 . 3.920 3.472 3.287 3.726 . 0 0 "[ . 1 . 2]" 1
1684 2 4 ASN HB3 2 5 PRO HD3 4.970 . 4.970 4.165 3.702 4.480 . 0 0 "[ . 1 . 2]" 1
1685 2 5 PRO HD3 2 6 GLY H 4.940 . 4.940 4.256 4.184 4.415 . 0 0 "[ . 1 . 2]" 1
1686 2 4 ASN HD21 2 5 PRO HD2 4.580 . 4.580 2.960 2.261 3.465 . 0 0 "[ . 1 . 2]" 1
1687 2 4 ASN H 2 5 PRO HD3 5.250 . 5.250 5.007 4.760 5.186 . 0 0 "[ . 1 . 2]" 1
1688 2 4 ASN HB2 2 5 PRO HD3 4.970 . 4.970 4.267 3.332 5.017 0.047 11 0 "[ . 1 . 2]" 1
1689 2 4 ASN HA 2 5 PRO HD3 3.440 . 3.440 2.343 2.237 2.462 . 0 0 "[ . 1 . 2]" 1
1690 2 14 MET HA 2 15 PRO HB3 5.080 . 5.080 4.787 4.727 4.877 . 0 0 "[ . 1 . 2]" 1
1691 1 7 PRO HB3 2 59 PHE QE 4.480 . 4.480 3.872 3.548 4.151 . 0 0 "[ . 1 . 2]" 1
1692 2 40 GLN HB2 2 57 TYR QD 4.520 . 4.520 3.125 2.490 3.623 . 0 0 "[ . 1 . 2]" 1
1693 2 40 GLN HB3 2 40 GLN HE21 4.430 . 4.430 4.339 4.213 4.385 . 0 0 "[ . 1 . 2]" 1
1694 2 8 GLN HA 2 26 MET HB3 5.260 . 5.260 4.288 4.008 4.527 . 0 0 "[ . 1 . 2]" 1
1695 2 23 ARG HA 2 26 MET HB3 5.500 . 5.500 4.717 4.425 5.058 . 0 0 "[ . 1 . 2]" 1
1696 2 40 GLN HG2 2 54 LYS HA 4.330 . 4.330 2.846 2.661 3.128 . 0 0 "[ . 1 . 2]" 1
1697 2 40 GLN HG2 2 57 TYR HB2 5.500 . 5.500 3.141 2.865 3.339 . 0 0 "[ . 1 . 2]" 1
1698 2 40 GLN HG2 2 57 TYR HB3 5.500 . 5.500 2.713 2.584 2.983 . 0 0 "[ . 1 . 2]" 1
1699 2 33 ALA MB 2 34 GLU HG3 4.670 . 4.670 4.678 4.568 4.725 0.055 10 0 "[ . 1 . 2]" 1
1700 2 31 ASN H 2 34 GLU HG2 4.990 . 4.990 3.961 3.696 4.105 . 0 0 "[ . 1 . 2]" 1
1701 2 10 PHE QD 2 13 LYS HG3 3.850 . 3.850 3.677 3.215 3.859 0.009 15 0 "[ . 1 . 2]" 1
1702 2 13 LYS H 2 13 LYS HD3 4.670 . 4.670 4.389 3.674 4.688 0.018 16 0 "[ . 1 . 2]" 1
1703 2 13 LYS HA 2 13 LYS HD3 3.910 . 3.910 2.262 1.946 2.757 . 0 0 "[ . 1 . 2]" 1
1704 2 13 LYS HA 2 13 LYS HD2 3.830 . 3.830 3.565 2.579 3.905 0.075 16 0 "[ . 1 . 2]" 1
1705 2 31 ASN H 2 34 GLU HB3 4.890 . 4.890 4.271 4.186 4.472 . 0 0 "[ . 1 . 2]" 1
1706 2 31 ASN H 2 32 ILE HG12 5.500 . 5.500 5.616 5.547 5.641 0.141 15 0 "[ . 1 . 2]" 1
1707 1 32 ILE HG12 2 64 PHE QE 5.500 . 5.500 4.813 4.609 4.940 . 0 0 "[ . 1 . 2]" 1
1708 2 29 VAL HA 2 34 GLU HA 4.700 . 4.700 4.883 4.829 4.934 0.234 20 0 "[ . 1 . 2]" 1
1709 2 38 LEU HA 2 42 GLU HB2 4.660 . 4.660 3.453 3.294 3.632 . 0 0 "[ . 1 . 2]" 1
1710 2 38 LEU QD 2 42 GLU HB2 4.560 . 4.560 3.284 2.946 3.508 . 0 0 "[ . 1 . 2]" 1
1711 2 29 VAL HA 2 34 GLU HB3 4.690 . 4.690 2.364 2.305 2.412 . 0 0 "[ . 1 . 2]" 1
1712 2 41 ASP H 2 41 ASP HB3 3.590 . 3.590 2.644 2.349 2.889 . 0 0 "[ . 1 . 2]" 1
1713 2 41 ASP HB2 2 42 GLU H 3.900 . 3.900 3.789 3.541 3.899 . 0 0 "[ . 1 . 2]" 1
1714 2 58 ASP H 2 59 PHE H 3.540 . 3.540 2.763 2.689 2.830 . 0 0 "[ . 1 . 2]" 1
1715 2 39 SER H 2 40 GLN H 4.630 . 4.630 4.521 4.494 4.538 . 0 0 "[ . 1 . 2]" 1
1716 2 38 LEU H 2 39 SER H 4.860 . 4.860 4.600 4.584 4.616 . 0 0 "[ . 1 . 2]" 1
1717 2 8 GLN H 2 9 ASP H 3.710 . 3.710 2.612 2.545 2.675 . 0 0 "[ . 1 . 2]" 1
1718 2 6 GLY H 2 8 GLN H 4.590 . 4.590 3.351 3.087 3.561 . 0 0 "[ . 1 . 2]" 1
1719 2 50 ALA H 2 51 ALA H 4.120 . 4.120 2.735 2.679 2.802 . 0 0 "[ . 1 . 2]" 1
1720 2 17 VAL H 2 18 ASN H 4.410 . 4.410 4.350 4.321 4.378 . 0 0 "[ . 1 . 2]" 1
1721 2 49 ASN H 2 50 ALA H 4.550 . 4.550 4.119 4.087 4.166 . 0 0 "[ . 1 . 2]" 1
1722 2 18 ASN H 2 18 ASN HD21 4.440 . 4.440 2.819 2.636 3.005 . 0 0 "[ . 1 . 2]" 1
1723 2 18 ASN H 2 21 ASN HD21 4.260 . 4.260 4.232 3.835 4.320 0.060 18 0 "[ . 1 . 2]" 1
1724 2 57 TYR H 2 59 PHE H 4.880 . 4.880 4.535 4.360 4.630 . 0 0 "[ . 1 . 2]" 1
1725 2 55 GLN H 2 57 TYR H 4.660 . 4.660 4.371 4.254 4.507 . 0 0 "[ . 1 . 2]" 1
1726 2 57 TYR H 2 58 ASP H 3.520 . 3.520 2.640 2.573 2.697 . 0 0 "[ . 1 . 2]" 1
1727 2 32 ILE H 2 33 ALA H 3.780 . 3.780 2.544 2.308 2.672 . 0 0 "[ . 1 . 2]" 1
1728 2 63 SER H 2 64 PHE H 4.680 . 4.680 4.609 4.585 4.641 . 0 0 "[ . 1 . 2]" 1
1729 2 45 SER H 2 47 LEU H 4.440 . 4.440 4.336 4.234 4.405 . 0 0 "[ . 1 . 2]" 1
1730 2 47 LEU H 2 49 ASN H 4.720 . 4.720 4.260 4.118 4.329 . 0 0 "[ . 1 . 2]" 1
1731 2 47 LEU H 2 48 GLY H 3.150 . 3.150 2.560 2.468 2.607 . 0 0 "[ . 1 . 2]" 1
1732 2 30 LYS H 2 31 ASN H 3.170 . 3.170 2.578 2.443 2.657 . 0 0 "[ . 1 . 2]" 1
1733 2 29 VAL H 2 30 LYS H 4.760 . 4.760 4.470 4.421 4.534 . 0 0 "[ . 1 . 2]" 1
1734 2 19 ALA H 2 20 LYS H 3.550 . 3.550 2.653 2.470 2.780 . 0 0 "[ . 1 . 2]" 1
1735 2 18 ASN HD21 2 19 ALA H 5.080 . 5.080 4.625 4.503 4.717 . 0 0 "[ . 1 . 2]" 1
1736 2 49 ASN HD21 2 52 ASN H 4.680 . 4.680 4.614 4.536 4.664 . 0 0 "[ . 1 . 2]" 1
1737 2 52 ASN H 2 52 ASN HD21 4.080 . 4.080 2.353 2.233 2.675 . 0 0 "[ . 1 . 2]" 1
1738 2 31 ASN H 2 34 GLU H 3.720 . 3.720 2.713 2.641 2.847 . 0 0 "[ . 1 . 2]" 1
1739 2 49 ASN HD22 2 51 ALA H 4.510 . 4.510 2.982 2.855 3.025 . 0 0 "[ . 1 . 2]" 1
1740 2 18 ASN H 2 21 ASN H 3.890 . 3.890 3.452 3.155 3.661 . 0 0 "[ . 1 . 2]" 1
1741 2 20 LYS H 2 21 ASN H 3.000 . 3.000 2.752 2.627 2.837 . 0 0 "[ . 1 . 2]" 1
1742 2 44 THR H 2 45 SER H 3.160 . 3.160 2.611 2.576 2.706 . 0 0 "[ . 1 . 2]" 1
1743 2 42 GLU H 2 43 LEU H 3.250 . 3.250 2.592 2.472 2.701 . 0 0 "[ . 1 . 2]" 1
1744 2 18 ASN H 2 22 CYS H 4.390 . 4.390 3.836 3.431 4.196 . 0 0 "[ . 1 . 2]" 1
1745 2 22 CYS H 2 23 ARG H 3.200 . 3.200 2.679 2.545 2.976 . 0 0 "[ . 1 . 2]" 1
1746 2 36 ALA H 2 37 ALA H 3.290 . 3.290 2.383 2.352 2.417 . 0 0 "[ . 1 . 2]" 1
1747 2 28 HIS H 2 29 VAL H 2.870 . 2.870 2.197 2.124 2.290 . 0 0 "[ . 1 . 2]" 1
1748 2 18 ASN H 2 20 LYS H 4.590 . 4.590 4.487 4.360 4.602 0.012 20 0 "[ . 1 . 2]" 1
1749 2 9 ASP H 2 11 LEU H 4.540 . 4.540 4.159 4.132 4.208 . 0 0 "[ . 1 . 2]" 1
1750 2 26 MET H 2 27 HIS H 3.120 . 3.120 2.606 2.552 2.695 . 0 0 "[ . 1 . 2]" 1
1751 2 54 LYS H 2 57 TYR H 5.240 . 5.240 4.808 4.738 4.903 . 0 0 "[ . 1 . 2]" 1
1752 2 53 ALA H 2 54 LYS H 3.210 . 3.210 2.721 2.568 2.796 . 0 0 "[ . 1 . 2]" 1
1753 2 52 ASN H 2 54 LYS H 4.580 . 4.580 4.379 4.273 4.458 . 0 0 "[ . 1 . 2]" 1
1754 2 54 LYS H 2 55 GLN H 3.090 . 3.090 2.697 2.633 2.757 . 0 0 "[ . 1 . 2]" 1
1755 2 59 PHE H 2 61 HIS H 4.470 . 4.470 4.046 3.886 4.228 . 0 0 "[ . 1 . 2]" 1
1756 2 40 GLN H 2 42 GLU H 4.450 . 4.450 4.155 4.029 4.373 . 0 0 "[ . 1 . 2]" 1
1757 2 14 MET H 2 16 GLY H 5.150 . 5.150 4.735 4.550 4.928 . 0 0 "[ . 1 . 2]" 1
1758 2 41 ASP H 2 42 GLU H 3.440 . 3.440 2.564 2.501 2.739 . 0 0 "[ . 1 . 2]" 1
1759 2 39 SER H 2 42 GLU H 4.240 . 4.240 3.330 3.176 3.473 . 0 0 "[ . 1 . 2]" 1
1760 2 42 GLU H 2 45 SER H 5.280 . 5.280 4.917 4.823 5.064 . 0 0 "[ . 1 . 2]" 1
1761 2 45 SER H 2 48 GLY H 5.500 . 5.500 4.485 4.354 4.599 . 0 0 "[ . 1 . 2]" 1
1762 2 48 GLY H 2 49 ASN H 3.010 . 3.010 2.429 2.348 2.502 . 0 0 "[ . 1 . 2]" 1
1763 2 16 GLY H 2 17 VAL H 3.240 . 3.240 2.666 2.455 2.991 . 0 0 "[ . 1 . 2]" 1
1764 2 60 ILE H 2 61 HIS H 3.640 . 3.640 2.650 2.568 2.781 . 0 0 "[ . 1 . 2]" 1
1765 2 59 PHE H 2 60 ILE H 3.570 . 3.570 2.698 2.629 2.755 . 0 0 "[ . 1 . 2]" 1
1766 2 33 ALA H 2 35 LEU H 4.170 . 4.170 3.925 3.892 3.970 . 0 0 "[ . 1 . 2]" 1
1767 2 56 LEU H 2 57 TYR H 3.440 . 3.440 2.712 2.656 2.815 . 0 0 "[ . 1 . 2]" 1
1768 2 56 LEU H 2 58 ASP H 4.480 . 4.480 3.855 3.754 3.960 . 0 0 "[ . 1 . 2]" 1
1769 2 58 ASP H 2 60 ILE H 4.910 . 4.910 4.067 4.020 4.109 . 0 0 "[ . 1 . 2]" 1
1770 2 35 LEU H 2 37 ALA H 4.420 . 4.420 3.720 3.687 3.757 . 0 0 "[ . 1 . 2]" 1
1771 2 34 GLU H 2 35 LEU H 3.270 . 3.270 2.493 2.468 2.526 . 0 0 "[ . 1 . 2]" 1
1772 2 35 LEU H 2 36 ALA H 3.320 . 3.320 2.818 2.780 2.861 . 0 0 "[ . 1 . 2]" 1
1773 2 45 SER H 2 46 ILE H 3.270 . 3.270 2.522 2.484 2.555 . 0 0 "[ . 1 . 2]" 1
1774 2 46 ILE H 2 47 LEU H 3.410 . 3.410 2.441 2.333 2.576 . 0 0 "[ . 1 . 2]" 1
1775 2 6 GLY H 2 9 ASP H 4.290 . 4.290 3.854 3.616 4.075 . 0 0 "[ . 1 . 2]" 1
1776 2 18 ASN H 2 21 ASN HD22 4.260 . 4.260 3.051 2.832 4.340 0.080 8 0 "[ . 1 . 2]" 1
1777 2 52 ASN H 2 55 GLN H 4.890 . 4.890 4.756 4.687 4.809 . 0 0 "[ . 1 . 2]" 1
1778 2 25 LEU H 2 26 MET H 3.310 . 3.310 2.873 2.835 2.950 . 0 0 "[ . 1 . 2]" 1
1779 2 10 PHE H 2 11 LEU H 3.610 . 3.610 2.713 2.649 2.765 . 0 0 "[ . 1 . 2]" 1
1780 2 9 ASP H 2 10 PHE H 3.380 . 3.380 2.443 2.381 2.502 . 0 0 "[ . 1 . 2]" 1
1781 2 4 ASN H 2 4 ASN HD21 4.380 . 4.380 4.353 3.477 4.607 0.227 15 0 "[ . 1 . 2]" 1
1782 2 10 PHE H 2 12 LEU H 5.070 . 5.070 4.367 4.200 4.498 . 0 0 "[ . 1 . 2]" 1
1783 2 52 ASN H 2 53 ALA H 3.110 . 3.110 2.647 2.613 2.685 . 0 0 "[ . 1 . 2]" 1
1784 2 52 ASN HD21 2 55 GLN HE21 5.210 . 5.210 4.734 4.350 5.261 0.051 4 0 "[ . 1 . 2]" 1
1785 1 31 ASN HD22 2 62 THR H 4.410 . 4.410 4.497 4.447 4.586 0.176 4 0 "[ . 1 . 2]" 1
1786 2 62 THR H 2 63 SER H 4.610 . 4.610 4.306 4.215 4.397 . 0 0 "[ . 1 . 2]" 1
1787 2 12 LEU H 2 14 MET H 4.440 . 4.440 4.250 4.168 4.403 . 0 0 "[ . 1 . 2]" 1
1788 2 11 LEU H 2 12 LEU H 3.820 . 3.820 2.668 2.561 2.745 . 0 0 "[ . 1 . 2]" 1
1789 2 40 GLN HE21 2 54 LYS H 4.310 . 4.310 2.796 2.639 2.971 . 0 0 "[ . 1 . 2]" 1
1790 2 55 GLN H 2 55 GLN HE21 4.860 . 4.860 3.699 3.212 4.523 . 0 0 "[ . 1 . 2]" 1
1791 2 13 LYS H 2 14 MET H 3.040 . 3.040 2.399 2.332 2.493 . 0 0 "[ . 1 . 2]" 1
1792 2 37 ALA H 2 38 LEU H 2.970 . 2.970 2.388 2.316 2.431 . 0 0 "[ . 1 . 2]" 1
1793 2 36 ALA H 2 38 LEU H 4.560 . 4.560 4.115 4.041 4.171 . 0 0 "[ . 1 . 2]" 1
1794 2 11 LEU H 2 13 LYS H 4.070 . 4.070 3.821 3.735 3.917 . 0 0 "[ . 1 . 2]" 1
1795 2 8 GLN HE21 2 9 ASP H 4.380 . 4.380 3.558 3.390 3.665 . 0 0 "[ . 1 . 2]" 1
1796 2 10 PHE H 2 10 PHE QD 3.880 . 3.880 3.077 2.718 3.417 . 0 0 "[ . 1 . 2]" 1
1797 2 59 PHE H 2 59 PHE QD 4.170 . 4.170 4.128 4.079 4.159 . 0 0 "[ . 1 . 2]" 1
1798 2 64 PHE H 2 64 PHE QD 3.780 . 3.780 2.476 2.258 2.656 . 0 0 "[ . 1 . 2]" 1
1799 2 34 GLU H 2 37 ALA H 4.670 . 4.670 4.650 4.618 4.682 0.012 2 0 "[ . 1 . 2]" 1
1800 2 59 PHE QD 2 60 ILE H 4.150 . 4.150 3.743 3.599 3.858 . 0 0 "[ . 1 . 2]" 1
1801 2 49 ASN HD21 2 51 ALA H 3.970 . 3.970 3.777 3.667 3.841 . 0 0 "[ . 1 . 2]" 1
1802 2 40 GLN H 2 57 TYR QD 4.220 . 4.220 3.650 3.198 3.906 . 0 0 "[ . 1 . 2]" 1
1803 2 57 TYR H 2 57 TYR QD 4.400 . 4.400 4.192 4.144 4.218 . 0 0 "[ . 1 . 2]" 1
1804 2 57 TYR QD 2 58 ASP H 4.580 . 4.580 4.070 3.665 4.378 . 0 0 "[ . 1 . 2]" 1
1805 2 52 ASN H 2 52 ASN HD22 5.130 . 5.130 3.970 3.848 4.291 . 0 0 "[ . 1 . 2]" 1
1806 2 31 ASN H 2 35 LEU H 4.090 . 4.090 3.545 3.499 3.594 . 0 0 "[ . 1 . 2]" 1
1807 2 31 ASN H 2 32 ILE H 4.430 . 4.430 3.931 3.690 3.984 . 0 0 "[ . 1 . 2]" 1
1808 1 29 VAL H 2 64 PHE QE 4.530 . 4.530 3.774 3.637 3.930 . 0 0 "[ . 1 . 2]" 1
1809 1 35 LEU H 2 64 PHE HZ 5.110 . 5.110 4.595 4.504 4.704 . 0 0 "[ . 1 . 2]" 1
1810 2 49 ASN H 2 53 ALA H 4.590 . 4.590 4.299 4.206 4.399 . 0 0 "[ . 1 . 2]" 1
1811 2 40 GLN HE22 2 54 LYS H 4.450 . 4.450 3.525 3.193 3.935 . 0 0 "[ . 1 . 2]" 1
1812 2 18 ASN HD22 2 20 LYS H 5.060 . 5.060 5.114 4.963 5.215 0.155 4 0 "[ . 1 . 2]" 1
1813 2 18 ASN HD22 2 52 ASN HD22 3.800 . 3.800 2.928 2.816 3.039 . 0 0 "[ . 1 . 2]" 1
1814 2 18 ASN HA 2 19 ALA H 3.070 . 3.070 2.562 2.445 2.649 . 0 0 "[ . 1 . 2]" 1
1815 2 18 ASN HA 2 18 ASN HD21 4.260 . 4.260 4.189 4.102 4.264 0.004 16 0 "[ . 1 . 2]" 1
1816 2 18 ASN HA 2 20 LYS H 4.270 . 4.270 4.310 4.225 4.393 0.123 7 0 "[ . 1 . 2]" 1
1817 2 63 SER HA 2 65 ALA H 4.930 . 4.930 4.396 4.138 4.630 . 0 0 "[ . 1 . 2]" 1
1818 2 63 SER HA 2 64 PHE H 2.930 . 2.930 2.231 2.190 2.308 . 0 0 "[ . 1 . 2]" 1
1819 2 39 SER HA 2 40 GLN H 3.210 . 3.210 2.445 2.405 2.494 . 0 0 "[ . 1 . 2]" 1
1820 2 29 VAL HA 2 34 GLU H 4.880 . 4.880 4.957 4.895 5.055 0.175 20 0 "[ . 1 . 2]" 1
1821 2 29 VAL HA 2 31 ASN H 4.710 . 4.710 4.293 4.196 4.409 . 0 0 "[ . 1 . 2]" 1
1822 2 29 VAL HA 2 30 LYS H 2.920 . 2.920 2.307 2.245 2.389 . 0 0 "[ . 1 . 2]" 1
1823 2 3 TYR HA 2 4 ASN H 2.910 . 2.910 2.197 2.113 2.372 . 0 0 "[ . 1 . 2]" 1
1824 2 38 LEU HA 2 39 SER H 3.070 . 3.070 2.231 2.174 2.292 . 0 0 "[ . 1 . 2]" 1
1825 2 16 GLY HA3 2 55 GLN HE21 4.920 . 4.920 2.872 2.611 3.261 . 0 0 "[ . 1 . 2]" 1
1826 2 52 ASN HA 2 55 GLN HE22 4.630 . 4.630 3.306 3.063 3.637 . 0 0 "[ . 1 . 2]" 1
1827 2 52 ASN HA 2 52 ASN HD22 4.070 . 4.070 3.890 3.757 4.030 . 0 0 "[ . 1 . 2]" 1
1828 2 52 ASN HA 2 52 ASN HD21 3.560 . 3.560 3.284 3.077 3.537 . 0 0 "[ . 1 . 2]" 1
1829 2 5 PRO HA 2 8 GLN HE21 5.130 . 5.130 4.555 4.082 4.852 . 0 0 "[ . 1 . 2]" 1
1830 2 5 PRO HA 2 6 GLY H 3.350 . 3.350 3.150 3.027 3.221 . 0 0 "[ . 1 . 2]" 1
1831 2 58 ASP HA 2 61 HIS H 4.070 . 4.070 3.542 3.324 3.666 . 0 0 "[ . 1 . 2]" 1
1832 2 8 GLN HE21 2 9 ASP HA 4.470 . 4.470 2.447 2.313 2.606 . 0 0 "[ . 1 . 2]" 1
1833 2 44 THR HA 2 45 SER H 3.520 . 3.520 3.493 3.472 3.511 . 0 0 "[ . 1 . 2]" 1
1834 2 9 ASP HA 2 12 LEU H 4.160 . 4.160 3.306 3.150 3.524 . 0 0 "[ . 1 . 2]" 1
1835 2 26 MET HA 2 29 VAL H 3.750 . 3.750 3.289 3.185 3.369 . 0 0 "[ . 1 . 2]" 1
1836 2 39 SER HB2 2 40 GLN H 3.740 . 3.740 3.063 2.401 3.750 0.010 13 0 "[ . 1 . 2]" 1
1837 2 56 LEU HA 2 60 ILE H 4.880 . 4.880 4.428 4.175 4.755 . 0 0 "[ . 1 . 2]" 1
1838 2 17 VAL HA 2 18 ASN H 2.940 . 2.940 2.228 2.176 2.306 . 0 0 "[ . 1 . 2]" 1
1839 2 17 VAL HA 2 21 ASN HD22 4.130 . 4.130 2.259 1.833 3.924 . 0 0 "[ . 1 . 2]" 1
1840 2 50 ALA HA 2 53 ALA H 3.840 . 3.840 3.481 3.390 3.544 . 0 0 "[ . 1 . 2]" 1
1841 2 62 THR HA 2 63 SER H 2.840 . 2.840 2.148 2.125 2.172 . 0 0 "[ . 1 . 2]" 1
1842 2 7 PRO HA 2 9 ASP H 5.500 . 5.500 4.443 4.197 4.667 . 0 0 "[ . 1 . 2]" 1
1843 2 39 SER H 2 39 SER HB3 3.970 . 3.970 3.437 2.807 3.722 . 0 0 "[ . 1 . 2]" 1
1844 2 48 GLY HA3 2 49 ASN H 3.540 . 3.540 3.442 3.396 3.470 . 0 0 "[ . 1 . 2]" 1
1845 2 19 ALA HA 2 22 CYS H 4.040 . 4.040 3.418 3.221 3.646 . 0 0 "[ . 1 . 2]" 1
1846 2 55 GLN HA 2 58 ASP H 4.380 . 4.380 3.690 3.559 3.828 . 0 0 "[ . 1 . 2]" 1
1847 2 55 GLN HA 2 57 TYR H 5.160 . 5.160 4.879 4.808 4.974 . 0 0 "[ . 1 . 2]" 1
1848 2 24 SER H 2 24 SER HB2 3.140 . 3.140 2.268 2.092 2.670 . 0 0 "[ . 1 . 2]" 1
1849 2 55 GLN HA 2 55 GLN HE21 4.740 . 4.740 4.450 4.349 4.512 . 0 0 "[ . 1 . 2]" 1
1850 2 15 PRO HA 2 16 GLY H 3.480 . 3.480 3.348 3.304 3.464 . 0 0 "[ . 1 . 2]" 1
1851 2 62 THR H 2 62 THR HB 3.440 . 3.440 2.451 2.396 2.529 . 0 0 "[ . 1 . 2]" 1
1852 2 34 GLU HA 2 37 ALA H 3.620 . 3.620 3.043 2.962 3.131 . 0 0 "[ . 1 . 2]" 1
1853 2 18 ASN H 2 22 CYS HA 4.750 . 4.750 4.731 4.613 4.854 0.104 11 0 "[ . 1 . 2]" 1
1854 2 60 ILE H 2 62 THR HB 5.500 . 5.500 5.158 5.015 5.360 . 0 0 "[ . 1 . 2]" 1
1855 2 8 GLN HA 2 8 GLN HE21 4.560 . 4.560 3.904 3.801 4.033 . 0 0 "[ . 1 . 2]" 1
1856 2 8 GLN HA 2 10 PHE H 4.360 . 4.360 4.262 4.157 4.366 0.006 10 0 "[ . 1 . 2]" 1
1857 2 43 LEU HA 2 47 LEU H 3.890 . 3.890 3.323 3.208 3.453 . 0 0 "[ . 1 . 2]" 1
1858 2 45 SER H 2 45 SER HB2 3.440 . 3.440 2.527 2.418 2.671 . 0 0 "[ . 1 . 2]" 1
1859 2 45 SER H 2 45 SER HB3 3.440 . 3.440 3.551 3.539 3.563 0.123 8 0 "[ . 1 . 2]" 1
1860 2 40 GLN HE21 2 54 LYS HA 4.180 . 4.180 2.172 1.918 2.405 . 0 0 "[ . 1 . 2]" 1
1861 2 48 GLY HA2 2 49 ASN H 3.550 . 3.550 3.082 3.035 3.137 . 0 0 "[ . 1 . 2]" 1
1862 2 53 ALA HA 2 56 LEU H 4.080 . 4.080 3.671 3.540 3.766 . 0 0 "[ . 1 . 2]" 1
1863 2 12 LEU HA 2 14 MET H 4.380 . 4.380 3.313 3.209 3.506 . 0 0 "[ . 1 . 2]" 1
1864 2 33 ALA HA 2 36 ALA H 4.220 . 4.220 4.014 3.932 4.118 . 0 0 "[ . 1 . 2]" 1
1865 2 32 ILE HA 2 34 GLU H 4.840 . 4.840 4.695 4.639 4.758 . 0 0 "[ . 1 . 2]" 1
1866 2 32 ILE HA 2 36 ALA H 4.320 . 4.320 3.959 3.828 4.094 . 0 0 "[ . 1 . 2]" 1
1867 2 32 ILE HA 2 35 LEU H 3.870 . 3.870 3.381 3.320 3.447 . 0 0 "[ . 1 . 2]" 1
1868 2 10 PHE HB3 2 11 LEU H 4.100 . 4.100 3.099 2.901 3.229 . 0 0 "[ . 1 . 2]" 1
1869 2 44 THR H 2 44 THR HB 3.670 . 3.670 3.472 3.371 3.562 . 0 0 "[ . 1 . 2]" 1
1870 2 10 PHE H 2 10 PHE HB3 3.560 . 3.560 3.302 3.151 3.427 . 0 0 "[ . 1 . 2]" 1
1871 2 44 THR HB 2 45 SER H 4.180 . 4.180 3.360 3.152 3.551 . 0 0 "[ . 1 . 2]" 1
1872 1 32 ILE H 2 60 ILE HA 4.640 . 4.640 3.988 3.777 4.147 . 0 0 "[ . 1 . 2]" 1
1873 2 16 GLY HA2 2 56 LEU H 4.580 . 4.580 4.448 4.253 4.574 . 0 0 "[ . 1 . 2]" 1
1874 1 33 ALA H 2 60 ILE HA 4.540 . 4.540 4.329 4.182 4.454 . 0 0 "[ . 1 . 2]" 1
1875 2 52 ASN HB3 2 53 ALA H 3.760 . 3.760 3.301 3.190 3.395 . 0 0 "[ . 1 . 2]" 1
1876 2 52 ASN H 2 52 ASN HB3 3.520 . 3.520 3.460 3.386 3.487 . 0 0 "[ . 1 . 2]" 1
1877 2 28 HIS HB2 2 29 VAL H 3.930 . 3.930 3.913 3.585 4.063 0.133 9 0 "[ . 1 . 2]" 1
1878 2 58 ASP H 2 59 PHE HB2 5.410 . 5.410 4.976 4.913 5.056 . 0 0 "[ . 1 . 2]" 1
1879 2 58 ASP H 2 59 PHE HB3 5.500 . 5.500 5.117 5.032 5.192 . 0 0 "[ . 1 . 2]" 1
1880 2 9 ASP H 2 10 PHE HB2 4.640 . 4.640 4.193 4.112 4.246 . 0 0 "[ . 1 . 2]" 1
1881 2 10 PHE HB2 2 11 LEU H 3.970 . 3.970 3.236 3.060 3.378 . 0 0 "[ . 1 . 2]" 1
1882 2 64 PHE HB2 2 65 ALA H 4.180 . 4.180 2.370 2.043 2.615 . 0 0 "[ . 1 . 2]" 1
1883 2 64 PHE H 2 64 PHE HB2 3.700 . 3.700 2.683 2.553 2.901 . 0 0 "[ . 1 . 2]" 1
1884 2 21 ASN H 2 21 ASN HB2 3.990 . 3.990 3.566 2.609 3.735 . 0 0 "[ . 1 . 2]" 1
1885 2 14 MET H 2 14 MET HG2 3.640 . 3.640 2.406 2.197 2.582 . 0 0 "[ . 1 . 2]" 1
1886 2 64 PHE H 2 64 PHE HB3 3.700 . 3.700 3.577 3.536 3.597 . 0 0 "[ . 1 . 2]" 1
1887 2 18 ASN HB3 2 19 ALA H 3.550 . 3.550 2.857 2.754 3.198 . 0 0 "[ . 1 . 2]" 1
1888 2 18 ASN HB3 2 20 LYS H 4.040 . 4.040 3.809 3.597 3.940 . 0 0 "[ . 1 . 2]" 1
1889 2 40 GLN H 2 57 TYR HB2 5.500 . 5.500 4.391 4.161 4.743 . 0 0 "[ . 1 . 2]" 1
1890 2 40 GLN H 2 57 TYR HB3 5.500 . 5.500 4.989 4.708 5.379 . 0 0 "[ . 1 . 2]" 1
1891 2 57 TYR H 2 57 TYR HB2 3.810 . 3.810 2.511 2.418 2.597 . 0 0 "[ . 1 . 2]" 1
1892 2 57 TYR H 2 57 TYR HB3 3.810 . 3.810 2.595 2.504 2.727 . 0 0 "[ . 1 . 2]" 1
1893 2 22 CYS HB2 2 23 ARG H 4.220 . 4.220 3.739 3.651 3.822 . 0 0 "[ . 1 . 2]" 1
1894 2 22 CYS H 2 22 CYS HB2 3.610 . 3.610 2.353 2.163 2.478 . 0 0 "[ . 1 . 2]" 1
1895 2 9 ASP HB2 2 10 PHE H 3.930 . 3.930 3.812 3.635 3.886 . 0 0 "[ . 1 . 2]" 1
1896 2 28 HIS HB3 2 29 VAL H 3.930 . 3.930 3.345 2.949 3.872 . 0 0 "[ . 1 . 2]" 1
1897 2 28 HIS H 2 28 HIS HB3 3.390 . 3.390 2.915 2.563 3.466 0.076 3 0 "[ . 1 . 2]" 1
1898 2 30 LYS HE2 2 33 ALA H 5.500 . 5.500 4.522 4.018 5.515 0.015 6 0 "[ . 1 . 2]" 1
1899 2 30 LYS HE3 2 33 ALA H 5.500 . 5.500 5.556 5.505 5.729 0.229 6 0 "[ . 1 . 2]" 1
1900 2 6 GLY H 2 9 ASP HB2 4.760 . 4.760 4.653 4.275 4.885 0.125 11 0 "[ . 1 . 2]" 1
1901 2 58 ASP HB2 2 59 PHE H 3.880 . 3.880 3.484 3.300 3.808 . 0 0 "[ . 1 . 2]" 1
1902 2 21 ASN H 2 21 ASN HB3 3.990 . 3.990 2.993 2.696 3.625 . 0 0 "[ . 1 . 2]" 1
1903 2 18 ASN H 2 18 ASN HB2 4.150 . 4.150 3.378 3.233 3.552 . 0 0 "[ . 1 . 2]" 1
1904 2 18 ASN HB2 2 19 ALA H 3.650 . 3.650 2.606 2.454 2.822 . 0 0 "[ . 1 . 2]" 1
1905 2 18 ASN HB2 2 20 LYS H 4.210 . 4.210 2.286 2.189 2.384 . 0 0 "[ . 1 . 2]" 1
1906 2 18 ASN HB2 2 18 ASN HD21 3.480 . 3.480 2.289 2.226 2.332 . 0 0 "[ . 1 . 2]" 1
1907 2 49 ASN HB2 2 52 ASN HD21 4.530 . 4.530 3.920 3.553 4.387 . 0 0 "[ . 1 . 2]" 1
1908 2 49 ASN H 2 49 ASN HB2 3.580 . 3.580 3.458 3.375 3.534 . 0 0 "[ . 1 . 2]" 1
1909 2 49 ASN HB2 2 49 ASN HD22 3.740 . 3.740 3.558 3.527 3.575 . 0 0 "[ . 1 . 2]" 1
1910 2 9 ASP HB3 2 10 PHE H 3.910 . 3.910 2.774 2.658 2.998 . 0 0 "[ . 1 . 2]" 1
1911 2 4 ASN HB2 2 6 GLY H 4.780 . 4.780 3.235 2.998 3.516 . 0 0 "[ . 1 . 2]" 1
1912 2 9 ASP H 2 9 ASP HB3 3.550 . 3.550 2.660 2.471 2.978 . 0 0 "[ . 1 . 2]" 1
1913 2 49 ASN HB3 2 50 ALA H 4.540 . 4.540 4.242 4.210 4.273 . 0 0 "[ . 1 . 2]" 1
1914 2 49 ASN HB3 2 53 ALA H 4.180 . 4.180 4.014 3.907 4.159 . 0 0 "[ . 1 . 2]" 1
1915 2 49 ASN HB3 2 52 ASN HD21 4.010 . 4.010 2.962 2.574 3.405 . 0 0 "[ . 1 . 2]" 1
1916 2 15 PRO HD2 2 16 GLY H 4.490 . 4.490 2.868 2.603 3.092 . 0 0 "[ . 1 . 2]" 1
1917 2 61 HIS H 2 61 HIS HB3 3.830 . 3.830 2.962 2.471 3.747 . 0 0 "[ . 1 . 2]" 1
1918 2 4 ASN H 2 4 ASN HB3 3.610 . 3.610 3.136 2.510 3.614 0.004 9 0 "[ . 1 . 2]" 1
1919 2 31 ASN HB2 2 32 ILE H 4.060 . 4.060 1.542 1.508 1.578 . 0 0 "[ . 1 . 2]" 1
1920 2 26 MET HG2 2 27 HIS H 3.210 . 3.210 2.911 2.796 3.016 . 0 0 "[ . 1 . 2]" 1
1921 2 40 GLN H 2 41 ASP HB2 5.500 . 5.500 5.046 4.700 5.453 . 0 0 "[ . 1 . 2]" 1
1922 2 40 GLN H 2 41 ASP HB3 5.500 . 5.500 5.141 4.768 5.402 . 0 0 "[ . 1 . 2]" 1
1923 2 58 ASP H 2 58 ASP HB3 3.600 . 3.600 2.863 2.611 3.013 . 0 0 "[ . 1 . 2]" 1
1924 2 16 GLY H 2 55 GLN HG2 5.480 . 5.480 5.478 5.288 5.531 0.051 20 0 "[ . 1 . 2]" 1
1925 2 58 ASP HB3 2 59 PHE H 3.980 . 3.980 2.357 2.241 2.575 . 0 0 "[ . 1 . 2]" 1
1926 2 51 ALA H 2 52 ASN HB2 4.570 . 4.570 4.457 4.413 4.522 . 0 0 "[ . 1 . 2]" 1
1927 2 52 ASN HB2 2 53 ALA H 3.580 . 3.580 2.841 2.766 3.000 . 0 0 "[ . 1 . 2]" 1
1928 2 49 ASN H 2 52 ASN HB2 4.490 . 4.490 3.969 3.755 4.154 . 0 0 "[ . 1 . 2]" 1
1929 2 8 GLN HE21 2 8 GLN HG2 3.540 . 3.540 2.221 2.176 2.265 . 0 0 "[ . 1 . 2]" 1
1930 2 8 GLN HG2 2 9 ASP H 4.100 . 4.100 4.125 4.070 4.162 0.062 18 0 "[ . 1 . 2]" 1
1931 2 42 GLU H 2 42 GLU HB2 3.040 . 3.040 2.117 2.056 2.278 . 0 0 "[ . 1 . 2]" 1
1932 2 29 VAL HB 2 35 LEU H 3.370 . 3.370 2.809 2.664 2.951 . 0 0 "[ . 1 . 2]" 1
1933 2 35 LEU H 2 35 LEU HB2 3.850 . 3.850 2.701 2.666 2.799 . 0 0 "[ . 1 . 2]" 1
1934 2 42 GLU HB2 2 43 LEU H 3.540 . 3.540 2.913 2.725 2.994 . 0 0 "[ . 1 . 2]" 1
1935 2 39 SER H 2 42 GLU HB2 3.520 . 3.520 1.769 1.591 1.943 . 0 0 "[ . 1 . 2]" 1
1936 2 30 LYS H 2 34 GLU HG2 4.190 . 4.190 2.837 2.639 2.976 . 0 0 "[ . 1 . 2]" 1
1937 2 31 ASN HB3 2 33 ALA H 5.500 . 5.500 4.834 4.753 4.969 . 0 0 "[ . 1 . 2]" 1
1938 2 33 ALA H 2 34 GLU HG2 5.500 . 5.500 5.318 5.137 5.448 . 0 0 "[ . 1 . 2]" 1
1939 2 31 ASN HB3 2 32 ILE H 4.150 . 4.150 3.188 3.162 3.202 . 0 0 "[ . 1 . 2]" 1
1940 2 5 PRO HB3 2 6 GLY H 4.520 . 4.520 4.574 4.540 4.616 0.096 10 0 "[ . 1 . 2]" 1
1941 2 38 LEU H 2 38 LEU HG 3.100 . 3.100 2.402 2.284 2.565 . 0 0 "[ . 1 . 2]" 1
1942 2 37 ALA H 2 38 LEU HG 4.210 . 4.210 3.832 3.715 4.036 . 0 0 "[ . 1 . 2]" 1
1943 2 17 VAL HB 2 18 ASN H 4.270 . 4.270 3.844 3.744 3.939 . 0 0 "[ . 1 . 2]" 1
1944 2 55 GLN HB2 2 56 LEU H 3.650 . 3.650 2.737 2.635 2.814 . 0 0 "[ . 1 . 2]" 1
1945 2 30 LYS H 2 34 GLU HB3 4.070 . 4.070 2.894 2.826 2.988 . 0 0 "[ . 1 . 2]" 1
1946 2 55 GLN H 2 55 GLN HB2 3.220 . 3.220 2.229 2.144 2.289 . 0 0 "[ . 1 . 2]" 1
1947 2 16 GLY H 2 17 VAL HB 4.630 . 4.630 4.116 3.732 4.460 . 0 0 "[ . 1 . 2]" 1
1948 2 55 GLN HB2 2 55 GLN HE21 4.260 . 4.260 1.918 1.717 2.390 . 0 0 "[ . 1 . 2]" 1
1949 2 43 LEU HB2 2 53 ALA H 5.500 . 5.500 5.550 5.517 5.584 0.084 6 0 "[ . 1 . 2]" 1
1950 2 5 PRO HB2 2 9 ASP H 5.080 . 5.080 5.010 4.825 5.136 0.056 17 0 "[ . 1 . 2]" 1
1951 2 26 MET H 2 26 MET HB3 3.370 . 3.370 2.696 2.626 2.792 . 0 0 "[ . 1 . 2]" 1
1952 2 40 GLN H 2 40 GLN HG2 4.350 . 4.350 4.096 3.974 4.230 . 0 0 "[ . 1 . 2]" 1
1953 2 41 ASP H 2 43 LEU HB2 5.500 . 5.500 5.003 4.857 5.073 . 0 0 "[ . 1 . 2]" 1
1954 2 26 MET HB3 2 29 VAL H 5.500 . 5.500 5.576 5.475 5.629 0.129 7 0 "[ . 1 . 2]" 1
1955 2 26 MET HB2 2 29 VAL H 5.500 . 5.500 5.179 5.079 5.277 . 0 0 "[ . 1 . 2]" 1
1956 2 40 GLN HE21 2 40 GLN HG2 3.530 . 3.530 2.234 2.198 2.261 . 0 0 "[ . 1 . 2]" 1
1957 2 32 ILE H 2 32 ILE HG12 3.970 . 3.970 1.775 1.680 2.043 . 0 0 "[ . 1 . 2]" 1
1958 2 13 LYS H 2 13 LYS HB3 3.700 . 3.700 3.579 3.527 3.612 . 0 0 "[ . 1 . 2]" 1
1959 2 14 MET H 2 14 MET HB2 3.420 . 3.420 2.460 2.403 2.518 . 0 0 "[ . 1 . 2]" 1
1960 2 54 LYS H 2 54 LYS HB3 3.230 . 3.230 2.667 2.205 2.950 . 0 0 "[ . 1 . 2]" 1
1961 2 42 GLU H 2 42 GLU HB3 3.700 . 3.700 3.388 3.244 3.547 . 0 0 "[ . 1 . 2]" 1
1962 2 39 SER H 2 42 GLU HB3 3.950 . 3.950 2.886 2.639 3.268 . 0 0 "[ . 1 . 2]" 1
1963 2 66 GLU H 2 66 GLU HB3 3.630 . 3.630 3.254 2.404 3.772 0.142 4 0 "[ . 1 . 2]" 1
1964 2 30 LYS H 2 34 GLU HB2 3.920 . 3.920 1.826 1.724 1.917 . 0 0 "[ . 1 . 2]" 1
1965 2 34 GLU H 2 34 GLU HB2 3.310 . 3.310 2.246 2.193 2.324 . 0 0 "[ . 1 . 2]" 1
1966 2 31 ASN H 2 34 GLU HB2 3.360 . 3.360 2.553 2.486 2.734 . 0 0 "[ . 1 . 2]" 1
1967 2 26 MET H 2 26 MET ME 3.530 . 3.530 3.293 3.217 3.348 . 0 0 "[ . 1 . 2]" 1
1968 2 20 LYS H 2 20 LYS HB3 2.790 . 2.790 2.840 2.713 2.962 0.172 4 0 "[ . 1 . 2]" 1
1969 2 60 ILE H 2 60 ILE HB 3.300 . 3.300 2.478 2.423 2.528 . 0 0 "[ . 1 . 2]" 1
1970 2 47 LEU HB2 2 49 ASN H 3.400 . 3.400 2.545 2.431 2.653 . 0 0 "[ . 1 . 2]" 1
1971 2 13 LYS H 2 13 LYS HB2 3.260 . 3.260 2.334 2.242 2.408 . 0 0 "[ . 1 . 2]" 1
1972 2 47 LEU H 2 47 LEU HG 3.030 . 3.030 2.064 1.964 2.169 . 0 0 "[ . 1 . 2]" 1
1973 2 56 LEU H 2 56 LEU HB3 3.310 . 3.310 2.396 2.337 2.465 . 0 0 "[ . 1 . 2]" 1
1974 2 32 ILE HB 2 33 ALA H 3.750 . 3.750 2.744 2.721 2.792 . 0 0 "[ . 1 . 2]" 1
1975 2 32 ILE H 2 32 ILE HB 3.890 . 3.890 2.674 2.634 2.742 . 0 0 "[ . 1 . 2]" 1
1976 2 56 LEU HB3 2 58 ASP H 5.030 . 5.030 4.740 4.651 4.843 . 0 0 "[ . 1 . 2]" 1
1977 2 54 LYS HB2 2 55 GLN H 4.070 . 4.070 3.737 3.556 3.981 . 0 0 "[ . 1 . 2]" 1
1978 2 55 GLN HB3 2 55 GLN HE22 4.500 . 4.500 3.931 3.818 4.058 . 0 0 "[ . 1 . 2]" 1
1979 2 56 LEU HB3 2 57 TYR H 3.650 . 3.650 2.435 2.362 2.522 . 0 0 "[ . 1 . 2]" 1
1980 2 53 ALA H 2 54 LYS HB2 5.110 . 5.110 4.979 4.790 5.227 0.117 3 0 "[ . 1 . 2]" 1
1981 2 54 LYS H 2 54 LYS HB2 3.210 . 3.210 2.393 2.216 2.762 . 0 0 "[ . 1 . 2]" 1
1982 2 11 LEU H 2 12 LEU HG 4.140 . 4.140 4.064 4.001 4.134 . 0 0 "[ . 1 . 2]" 1
1983 2 9 ASP H 2 12 LEU HG 5.500 . 5.500 5.512 5.387 5.565 0.065 12 0 "[ . 1 . 2]" 1
1984 2 12 LEU H 2 12 LEU HG 3.150 . 3.150 1.956 1.854 2.115 . 0 0 "[ . 1 . 2]" 1
1985 2 40 GLN H 2 40 GLN HG3 4.350 . 4.350 4.365 4.286 4.403 0.053 18 0 "[ . 1 . 2]" 1
1986 2 40 GLN HE21 2 40 GLN HG3 3.530 . 3.530 2.933 2.899 2.979 . 0 0 "[ . 1 . 2]" 1
1987 2 25 LEU H 2 25 LEU HB2 3.170 . 3.170 2.396 2.290 2.549 . 0 0 "[ . 1 . 2]" 1
1988 2 25 LEU H 2 25 LEU HB3 3.430 . 3.430 2.583 2.437 2.671 . 0 0 "[ . 1 . 2]" 1
1989 2 25 LEU HB3 2 26 MET H 3.420 . 3.420 2.318 2.228 2.408 . 0 0 "[ . 1 . 2]" 1
1990 2 33 ALA H 2 35 LEU HB3 4.570 . 4.570 4.527 4.491 4.572 0.002 14 0 "[ . 1 . 2]" 1
1991 2 23 ARG HG3 2 24 SER H 3.810 . 3.810 2.066 1.737 2.288 . 0 0 "[ . 1 . 2]" 1
1992 1 64 PHE H 2 7 PRO HG3 4.880 . 4.880 4.412 4.258 4.675 . 0 0 "[ . 1 . 2]" 1
1993 2 23 ARG H 2 23 ARG HG3 3.470 . 3.470 2.163 1.800 2.614 . 0 0 "[ . 1 . 2]" 1
1994 2 35 LEU HB3 2 36 ALA H 3.480 . 3.480 2.573 2.519 2.667 . 0 0 "[ . 1 . 2]" 1
1995 2 12 LEU H 2 12 LEU HB3 3.610 . 3.610 3.606 3.581 3.621 0.011 13 0 "[ . 1 . 2]" 1
1996 2 37 ALA MB 2 38 LEU H 3.250 . 3.250 3.029 2.924 3.180 . 0 0 "[ . 1 . 2]" 1
1997 2 37 ALA H 2 37 ALA MB 2.680 . 2.680 2.271 2.247 2.296 . 0 0 "[ . 1 . 2]" 1
1998 2 13 LYS H 2 13 LYS HG2 3.410 . 3.410 2.746 2.469 3.028 . 0 0 "[ . 1 . 2]" 1
1999 2 38 LEU HB3 2 39 SER H 3.960 . 3.960 2.740 2.583 2.919 . 0 0 "[ . 1 . 2]" 1
2000 2 51 ALA MB 2 55 GLN HE21 5.000 . 5.000 3.838 3.080 4.854 . 0 0 "[ . 1 . 2]" 1
2001 2 51 ALA H 2 51 ALA MB 2.570 . 2.570 2.232 2.164 2.249 . 0 0 "[ . 1 . 2]" 1
2002 2 51 ALA MB 2 52 ASN H 2.870 . 2.870 2.329 2.269 2.396 . 0 0 "[ . 1 . 2]" 1
2003 2 49 ASN HD21 2 51 ALA MB 4.090 . 4.090 4.118 4.005 4.157 0.067 6 0 "[ . 1 . 2]" 1
2004 2 19 ALA MB 2 20 LYS H 3.080 . 3.080 2.870 2.758 2.958 . 0 0 "[ . 1 . 2]" 1
2005 2 25 LEU HG 2 26 MET H 4.230 . 4.230 3.631 3.373 3.777 . 0 0 "[ . 1 . 2]" 1
2006 2 53 ALA MB 2 56 LEU H 4.930 . 4.930 4.714 4.649 4.814 . 0 0 "[ . 1 . 2]" 1
2007 2 40 GLN H 2 40 GLN HB3 3.330 . 3.330 2.967 2.871 3.056 . 0 0 "[ . 1 . 2]" 1
2008 2 18 ASN HD21 2 20 LYS HG3 3.790 . 3.790 2.286 2.012 2.659 . 0 0 "[ . 1 . 2]" 1
2009 2 40 GLN HE21 2 53 ALA MB 3.670 . 3.670 2.702 2.467 2.910 . 0 0 "[ . 1 . 2]" 1
2010 2 53 ALA MB 2 57 TYR H 4.670 . 4.670 4.445 4.323 4.544 . 0 0 "[ . 1 . 2]" 1
2011 2 44 THR H 2 53 ALA MB 3.240 . 3.240 2.750 2.659 2.865 . 0 0 "[ . 1 . 2]" 1
2012 2 53 ALA H 2 53 ALA MB 2.800 . 2.800 2.224 2.211 2.236 . 0 0 "[ . 1 . 2]" 1
2013 2 45 SER H 2 53 ALA MB 4.890 . 4.890 4.644 4.527 4.714 . 0 0 "[ . 1 . 2]" 1
2014 2 49 ASN H 2 53 ALA MB 3.890 . 3.890 3.685 3.566 3.803 . 0 0 "[ . 1 . 2]" 1
2015 2 64 PHE H 2 65 ALA MB 5.020 . 5.020 4.814 4.610 5.059 0.039 19 0 "[ . 1 . 2]" 1
2016 2 11 LEU H 2 11 LEU HG 2.920 . 2.920 2.002 1.840 2.111 . 0 0 "[ . 1 . 2]" 1
2017 2 65 ALA MB 2 66 GLU H 2.960 . 2.960 2.595 1.835 3.049 0.089 15 0 "[ . 1 . 2]" 1
2018 2 14 MET H 2 14 MET HB3 3.770 . 3.770 3.606 3.573 3.631 . 0 0 "[ . 1 . 2]" 1
2019 2 62 THR MG 2 63 SER H 3.200 . 3.200 3.051 2.878 3.224 0.024 19 0 "[ . 1 . 2]" 1
2020 1 31 ASN HD21 2 62 THR MG 5.480 . 5.480 5.146 4.995 5.415 . 0 0 "[ . 1 . 2]" 1
2021 1 33 ALA H 2 36 ALA MB 4.150 . 4.150 3.806 3.539 3.980 . 0 0 "[ . 1 . 2]" 1
2022 2 35 LEU H 2 36 ALA MB 4.740 . 4.740 4.560 4.518 4.595 . 0 0 "[ . 1 . 2]" 1
2023 2 36 ALA MB 2 38 LEU H 4.850 . 4.850 4.456 4.382 4.548 . 0 0 "[ . 1 . 2]" 1
2024 2 36 ALA MB 2 37 ALA H 3.330 . 3.330 3.095 3.063 3.125 . 0 0 "[ . 1 . 2]" 1
2025 2 36 ALA H 2 36 ALA MB 2.860 . 2.860 2.272 2.246 2.287 . 0 0 "[ . 1 . 2]" 1
2026 2 29 VAL MG1 2 34 GLU H 5.420 . 5.420 4.663 4.580 4.711 . 0 0 "[ . 1 . 2]" 1
2027 2 29 VAL MG2 2 34 GLU H 5.420 . 5.420 4.342 4.070 4.574 . 0 0 "[ . 1 . 2]" 1
2028 2 59 PHE H 2 60 ILE HG13 5.480 . 5.480 4.471 4.376 4.605 . 0 0 "[ . 1 . 2]" 1
2029 2 29 VAL MG1 2 35 LEU H 3.890 . 3.890 3.490 3.366 3.579 . 0 0 "[ . 1 . 2]" 1
2030 2 58 ASP H 2 60 ILE HG13 5.500 . 5.500 5.426 5.189 5.532 0.032 11 0 "[ . 1 . 2]" 1
2031 2 29 VAL MG1 2 30 LYS H 4.140 . 4.140 3.915 3.848 3.970 . 0 0 "[ . 1 . 2]" 1
2032 2 60 ILE H 2 60 ILE HG13 3.750 . 3.750 2.216 2.115 2.314 . 0 0 "[ . 1 . 2]" 1
2033 2 44 THR MG 2 47 LEU H 5.500 . 5.500 5.376 5.249 5.463 . 0 0 "[ . 1 . 2]" 1
2034 2 44 THR MG 2 48 GLY H 4.470 . 4.470 4.446 4.083 4.538 0.068 15 0 "[ . 1 . 2]" 1
2035 2 44 THR MG 2 51 ALA H 5.140 . 5.140 4.638 4.566 4.723 . 0 0 "[ . 1 . 2]" 1
2036 2 44 THR MG 2 45 SER H 4.150 . 4.150 4.214 4.160 4.259 0.109 8 0 "[ . 1 . 2]" 1
2037 2 44 THR MG 2 49 ASN H 3.920 . 3.920 3.471 3.116 3.774 . 0 0 "[ . 1 . 2]" 1
2038 2 11 LEU H 2 35 LEU MD2 4.520 . 4.520 4.424 4.323 4.518 . 0 0 "[ . 1 . 2]" 1
2039 2 32 ILE H 2 32 ILE HG13 4.100 . 4.100 3.329 3.281 3.552 . 0 0 "[ . 1 . 2]" 1
2040 2 43 LEU H 2 43 LEU MD2 3.540 . 3.540 2.191 2.106 2.283 . 0 0 "[ . 1 . 2]" 1
2041 2 38 LEU QD 2 47 LEU H 5.500 . 5.500 5.047 4.874 5.180 . 0 0 "[ . 1 . 2]" 1
2042 2 43 LEU MD2 2 47 LEU H 5.500 . 5.500 5.644 5.596 5.680 0.180 13 0 "[ . 1 . 2]" 1
2043 2 56 LEU HG 2 57 TYR H 3.920 . 3.920 3.380 3.219 3.527 . 0 0 "[ . 1 . 2]" 1
2044 2 12 LEU MD1 2 13 LYS H 5.290 . 5.290 4.883 4.744 5.112 . 0 0 "[ . 1 . 2]" 1
2045 2 12 LEU H 2 12 LEU MD1 3.960 . 3.960 3.325 3.231 3.488 . 0 0 "[ . 1 . 2]" 1
2046 2 8 GLN HE21 2 12 LEU MD1 4.490 . 4.490 2.269 2.167 2.436 . 0 0 "[ . 1 . 2]" 1
2047 2 33 ALA H 2 33 ALA MB 2.920 . 2.920 2.216 2.123 2.242 . 0 0 "[ . 1 . 2]" 1
2048 2 40 GLN HB2 2 41 ASP H 4.030 . 4.030 3.577 3.472 3.697 . 0 0 "[ . 1 . 2]" 1
2049 2 33 ALA MB 2 37 ALA H 5.330 . 5.330 5.128 5.064 5.191 . 0 0 "[ . 1 . 2]" 1
2050 2 37 ALA H 2 38 LEU QD 5.500 . 5.500 4.254 4.153 4.373 . 0 0 "[ . 1 . 2]" 1
2051 2 11 LEU H 2 12 LEU MD2 5.410 . 5.410 5.157 4.962 5.303 . 0 0 "[ . 1 . 2]" 1
2052 2 17 VAL QG 2 18 ASN H . . 2.940 2.079 1.762 2.229 . 0 0 "[ . 1 . 2]" 1
2053 2 12 LEU MD2 2 22 CYS H 3.870 . 3.870 3.842 3.511 3.958 0.088 13 0 "[ . 1 . 2]" 1
2054 2 32 ILE H 2 32 ILE MG 4.070 . 4.070 3.741 3.711 3.791 . 0 0 "[ . 1 . 2]" 1
2055 2 12 LEU MD2 2 19 ALA H 4.350 . 4.350 3.132 2.920 3.565 . 0 0 "[ . 1 . 2]" 1
2056 2 12 LEU MD2 2 21 ASN H 4.960 . 4.960 4.930 4.761 5.021 0.061 12 0 "[ . 1 . 2]" 1
2057 2 13 LYS H 2 17 VAL QG 5.500 . 5.500 4.103 3.208 4.464 . 0 0 "[ . 1 . 2]" 1
2058 2 11 LEU H 2 25 LEU MD2 5.500 . 5.500 4.960 4.809 5.191 . 0 0 "[ . 1 . 2]" 1
2059 2 28 HIS H 2 46 ILE MG 4.100 . 4.100 3.772 3.603 3.914 . 0 0 "[ . 1 . 2]" 1
2060 2 25 LEU MD2 2 26 MET H 4.400 . 4.400 4.106 3.947 4.226 . 0 0 "[ . 1 . 2]" 1
2061 2 46 ILE H 2 46 ILE MG 3.960 . 3.960 3.801 3.774 3.831 . 0 0 "[ . 1 . 2]" 1
2062 2 47 LEU MD1 2 53 ALA H 3.510 . 3.510 2.962 2.867 3.079 . 0 0 "[ . 1 . 2]" 1
2063 2 47 LEU MD1 2 52 ASN H 4.550 . 4.550 4.508 4.462 4.565 0.015 6 0 "[ . 1 . 2]" 1
2064 2 45 SER H 2 46 ILE MD 4.460 . 4.460 4.473 4.303 4.527 0.067 12 0 "[ . 1 . 2]" 1
2065 2 46 ILE MG 2 47 LEU H 3.370 . 3.370 3.308 3.168 3.424 0.054 8 0 "[ . 1 . 2]" 1
2066 2 14 MET H 2 17 VAL QG . . 3.750 3.207 2.030 3.643 . 0 0 "[ . 1 . 2]" 1
2067 2 60 ILE MG 2 61 HIS H 4.210 . 4.210 3.473 3.323 3.568 . 0 0 "[ . 1 . 2]" 1
2068 2 33 ALA H 2 34 GLU H 3.370 . 3.370 2.955 2.905 2.983 . 0 0 "[ . 1 . 2]" 1
2069 2 25 LEU H 2 26 MET ME 5.020 . 5.020 5.032 4.923 5.088 0.068 12 0 "[ . 1 . 2]" 1
2070 2 24 SER HB3 2 25 LEU H 3.300 . 3.300 3.200 2.459 3.411 0.111 12 0 "[ . 1 . 2]" 1
2071 2 58 ASP H 2 58 ASP HB2 3.390 . 3.390 2.279 2.143 2.525 . 0 0 "[ . 1 . 2]" 1
2072 2 38 LEU HB2 2 39 SER H 4.140 . 4.140 3.886 3.758 4.012 . 0 0 "[ . 1 . 2]" 1
2073 2 14 MET H 2 17 VAL HB 4.480 . 4.480 3.524 3.216 4.034 . 0 0 "[ . 1 . 2]" 1
2074 2 14 MET H 2 14 MET HG3 3.570 . 3.570 3.476 3.310 3.586 0.016 19 0 "[ . 1 . 2]" 1
2075 2 13 LYS HB2 2 14 MET H 3.730 . 3.730 3.452 3.132 3.724 . 0 0 "[ . 1 . 2]" 1
2076 2 47 LEU MD1 2 48 GLY H 4.360 . 4.360 4.449 4.402 4.495 0.135 11 0 "[ . 1 . 2]" 1
2077 2 34 GLU HB2 2 35 LEU H 2.980 . 2.980 2.976 2.918 3.000 0.020 11 0 "[ . 1 . 2]" 1
2078 2 23 ARG H 2 23 ARG HB3 3.710 . 3.710 2.654 2.477 2.785 . 0 0 "[ . 1 . 2]" 1
2079 2 23 ARG H 2 23 ARG HG2 3.470 . 3.470 3.002 2.738 3.254 . 0 0 "[ . 1 . 2]" 1
2080 2 23 ARG HA 2 24 SER H 3.560 . 3.560 3.517 3.452 3.550 . 0 0 "[ . 1 . 2]" 1
2081 2 23 ARG HG2 2 24 SER H 3.810 . 3.810 3.741 3.438 3.843 0.033 18 0 "[ . 1 . 2]" 1
2082 2 26 MET H 2 28 HIS H 4.250 . 4.250 3.948 3.880 4.038 . 0 0 "[ . 1 . 2]" 1
2083 2 21 ASN H 2 21 ASN HD22 5.020 . 5.020 4.362 4.096 4.830 . 0 0 "[ . 1 . 2]" 1
2084 2 21 ASN H 2 23 ARG H 5.410 . 5.410 4.494 4.223 4.722 . 0 0 "[ . 1 . 2]" 1
2085 2 18 ASN HD21 2 22 CYS H 4.700 . 4.700 4.398 4.003 4.575 . 0 0 "[ . 1 . 2]" 1
2086 2 22 CYS H 2 24 SER H 5.080 . 5.080 4.195 3.798 4.466 . 0 0 "[ . 1 . 2]" 1
2087 2 18 ASN HD21 2 52 ASN HD22 4.700 . 4.700 4.621 4.501 4.711 0.011 9 0 "[ . 1 . 2]" 1
2088 2 24 SER HA 2 27 HIS H 3.830 . 3.830 3.450 3.295 3.675 . 0 0 "[ . 1 . 2]" 1
2089 2 21 ASN HA 2 24 SER H 4.070 . 4.070 3.338 3.113 3.670 . 0 0 "[ . 1 . 2]" 1
2090 2 41 ASP HB3 2 42 GLU H 3.900 . 3.900 2.650 2.434 2.913 . 0 0 "[ . 1 . 2]" 1
2091 2 40 GLN HB3 2 41 ASP H 3.530 . 3.530 2.712 2.527 2.916 . 0 0 "[ . 1 . 2]" 1
2092 2 42 GLU HB3 2 43 LEU H 3.980 . 3.980 3.053 2.760 3.401 . 0 0 "[ . 1 . 2]" 1
2093 2 49 ASN H 2 52 ASN HB3 4.960 . 4.960 4.841 4.646 4.968 0.008 19 0 "[ . 1 . 2]" 1
2094 2 49 ASN H 2 50 ALA HA 5.450 . 5.450 4.617 4.568 4.664 . 0 0 "[ . 1 . 2]" 1
2095 2 44 THR H 2 45 SER HA 5.300 . 5.300 5.228 5.192 5.304 0.004 5 0 "[ . 1 . 2]" 1
2096 2 43 LEU HB3 2 44 THR H 3.800 . 3.800 3.283 3.180 3.341 . 0 0 "[ . 1 . 2]" 1
2097 2 43 LEU HB2 2 44 THR H 3.660 . 3.660 2.867 2.787 2.926 . 0 0 "[ . 1 . 2]" 1
2098 2 54 LYS HA 2 57 TYR H 4.210 . 4.210 3.805 3.689 3.990 . 0 0 "[ . 1 . 2]" 1
2099 2 16 GLY HA3 2 56 LEU H 4.060 . 4.060 2.771 2.602 2.893 . 0 0 "[ . 1 . 2]" 1
2100 2 56 LEU H 2 56 LEU HB2 3.370 . 3.370 2.654 2.535 2.736 . 0 0 "[ . 1 . 2]" 1
2101 2 55 GLN H 2 56 LEU H 3.380 . 3.380 2.730 2.646 2.815 . 0 0 "[ . 1 . 2]" 1
2102 2 27 HIS H 2 27 HIS HD2 3.880 . 3.880 3.165 2.994 3.410 . 0 0 "[ . 1 . 2]" 1
2103 2 51 ALA H 2 53 ALA H 3.870 . 3.870 3.904 3.883 3.928 0.058 13 0 "[ . 1 . 2]" 1
2104 2 49 ASN H 2 51 ALA H 5.500 . 5.500 5.551 5.528 5.580 0.080 20 0 "[ . 1 . 2]" 1
2105 2 49 ASN H 2 52 ASN H 5.060 . 5.060 5.028 4.942 5.083 0.023 4 0 "[ . 1 . 2]" 1
2106 2 59 PHE HB3 2 60 ILE H 3.960 . 3.960 2.568 2.505 2.628 . 0 0 "[ . 1 . 2]" 1
2107 2 63 SER H 2 63 SER HB3 3.730 . 3.730 3.480 3.127 3.594 . 0 0 "[ . 1 . 2]" 1
2108 1 64 PHE H 2 31 ASN HA 3.820 . 3.820 3.761 3.556 3.877 0.057 5 0 "[ . 1 . 2]" 1
2109 2 66 GLU H 2 66 GLU HB2 3.630 . 3.630 2.910 2.293 3.570 . 0 0 "[ . 1 . 2]" 1
2110 2 64 PHE QD 2 65 ALA H 4.450 . 4.450 3.667 2.992 4.114 . 0 0 "[ . 1 . 2]" 1
2111 2 34 GLU HB3 2 35 LEU H 3.670 . 3.670 3.666 3.616 3.722 0.052 15 0 "[ . 1 . 2]" 1
2112 2 20 LYS HA 2 23 ARG H 5.070 . 5.070 4.401 4.065 4.716 . 0 0 "[ . 1 . 2]" 1
2113 2 34 GLU H 2 34 GLU HB3 3.670 . 3.670 3.529 3.496 3.564 . 0 0 "[ . 1 . 2]" 1
2114 2 31 ASN H 2 33 ALA H 4.580 . 4.580 3.852 3.801 3.910 . 0 0 "[ . 1 . 2]" 1
2115 2 33 ALA H 2 36 ALA H 5.080 . 5.080 4.943 4.851 5.028 . 0 0 "[ . 1 . 2]" 1
2116 2 10 PHE HA 2 13 LYS H 4.130 . 4.130 3.477 3.407 3.582 . 0 0 "[ . 1 . 2]" 1
2117 2 13 LYS H 2 13 LYS HG3 4.270 . 4.270 3.904 3.721 4.068 . 0 0 "[ . 1 . 2]" 1
2118 2 49 ASN HA 2 49 ASN HD22 4.050 . 4.050 3.775 3.699 3.855 . 0 0 "[ . 1 . 2]" 1
2119 2 49 ASN HA 2 49 ASN HD21 4.440 . 4.440 2.471 2.344 2.589 . 0 0 "[ . 1 . 2]" 1
2120 2 49 ASN H 2 49 ASN HD21 5.010 . 5.010 5.001 4.921 5.064 0.054 8 0 "[ . 1 . 2]" 1
2121 2 40 GLN HE22 2 54 LYS HA 4.310 . 4.310 3.774 3.435 4.072 . 0 0 "[ . 1 . 2]" 1
2122 2 40 GLN HE22 2 40 GLN HG2 3.900 . 3.900 3.485 3.468 3.498 . 0 0 "[ . 1 . 2]" 1
2123 2 40 GLN HE22 2 54 LYS HB3 4.880 . 4.880 4.770 4.428 4.917 0.037 7 0 "[ . 1 . 2]" 1
2124 2 40 GLN HE22 2 40 GLN HG3 3.900 . 3.900 3.786 3.763 3.814 . 0 0 "[ . 1 . 2]" 1
2125 2 40 GLN HE22 2 53 ALA MB 3.740 . 3.740 2.792 2.484 3.464 . 0 0 "[ . 1 . 2]" 1
2126 2 40 GLN HB2 2 40 GLN HE21 4.680 . 4.680 4.608 4.579 4.630 . 0 0 "[ . 1 . 2]" 1
2127 2 40 GLN HE22 2 54 LYS HB2 3.920 . 3.920 3.159 2.894 3.361 . 0 0 "[ . 1 . 2]" 1
2128 2 55 GLN HB3 2 55 GLN HE21 4.350 . 4.350 2.698 2.190 3.015 . 0 0 "[ . 1 . 2]" 1
2129 2 18 ASN HD22 2 52 ASN HD21 4.190 . 4.190 4.183 4.064 4.242 0.052 16 0 "[ . 1 . 2]" 1
2130 2 10 PHE H 2 12 LEU HG 5.500 . 5.500 5.543 5.486 5.581 0.081 12 0 "[ . 1 . 2]" 1
2131 2 10 PHE H 2 13 LYS HB2 5.500 . 5.500 5.117 4.805 5.528 0.028 13 0 "[ . 1 . 2]" 1
2132 2 8 GLN HB3 2 9 ASP H 4.000 . 4.000 2.582 2.447 2.746 . 0 0 "[ . 1 . 2]" 1
2133 2 7 PRO HG2 2 8 GLN H 4.290 . 4.290 2.458 2.339 2.555 . 0 0 "[ . 1 . 2]" 1
2134 2 7 PRO HB2 2 8 GLN H 4.320 . 4.320 3.413 3.265 3.504 . 0 0 "[ . 1 . 2]" 1
2135 2 4 ASN HD21 2 6 GLY H 4.870 . 4.870 3.785 2.276 4.894 0.024 11 0 "[ . 1 . 2]" 1
2136 2 19 ALA HA 2 21 ASN H 4.690 . 4.690 4.576 4.328 4.759 0.069 16 0 "[ . 1 . 2]" 1
2137 2 21 ASN H 2 21 ASN HD21 5.020 . 5.020 4.484 4.145 4.776 . 0 0 "[ . 1 . 2]" 1
2138 2 54 LYS HB3 2 55 GLN H 3.310 . 3.310 2.566 2.436 2.697 . 0 0 "[ . 1 . 2]" 1
2139 2 30 LYS H 2 30 LYS HB3 3.670 . 3.670 2.687 2.594 2.749 . 0 0 "[ . 1 . 2]" 1
2140 2 28 HIS H 2 28 HIS HB2 3.390 . 3.390 2.489 2.239 2.720 . 0 0 "[ . 1 . 2]" 1
2141 2 22 CYS H 2 25 LEU H 4.900 . 4.900 4.705 4.621 4.830 . 0 0 "[ . 1 . 2]" 1
2142 2 46 ILE H 2 46 ILE HB 3.110 . 3.110 2.574 2.471 2.649 . 0 0 "[ . 1 . 2]" 1
2143 2 4 ASN H 2 5 PRO HD2 4.910 . 4.910 4.777 4.726 4.819 . 0 0 "[ . 1 . 2]" 1
2144 2 4 ASN H 2 4 ASN HD22 4.790 . 4.790 4.494 4.131 4.757 . 0 0 "[ . 1 . 2]" 1
2145 2 18 ASN H 2 19 ALA HA 5.110 . 5.110 4.874 4.645 5.024 . 0 0 "[ . 1 . 2]" 1
2146 2 12 LEU H 2 13 LYS H 3.500 . 3.500 2.594 2.530 2.686 . 0 0 "[ . 1 . 2]" 1
2147 2 32 ILE H 2 33 ALA MB 4.370 . 4.370 4.208 3.943 4.340 . 0 0 "[ . 1 . 2]" 1
2148 2 46 ILE HB 2 47 LEU H 3.330 . 3.330 2.269 2.180 2.425 . 0 0 "[ . 1 . 2]" 1
2149 2 39 SER H 2 43 LEU H 4.770 . 4.770 3.861 3.750 3.973 . 0 0 "[ . 1 . 2]" 1
2150 2 41 ASP H 2 43 LEU H 4.030 . 4.030 4.069 3.962 4.105 0.075 1 0 "[ . 1 . 2]" 1
2151 2 43 LEU H 2 43 LEU HB3 3.550 . 3.550 3.525 3.506 3.543 . 0 0 "[ . 1 . 2]" 1
2152 2 30 LYS HB3 2 31 ASN H 3.850 . 3.850 3.841 3.798 3.861 0.011 17 0 "[ . 1 . 2]" 1
2153 2 30 LYS H 2 30 LYS HE2 5.500 . 5.500 5.459 4.955 5.620 0.120 1 0 "[ . 1 . 2]" 1
2154 2 30 LYS H 2 30 LYS HE3 5.500 . 5.500 5.034 4.828 5.683 0.183 6 0 "[ . 1 . 2]" 1
2155 2 30 LYS H 2 31 ASN HA 5.500 . 5.500 4.994 4.872 5.059 . 0 0 "[ . 1 . 2]" 1
2156 2 30 LYS H 2 30 LYS HG2 3.730 . 3.730 1.902 1.830 2.046 . 0 0 "[ . 1 . 2]" 1
2157 2 30 LYS H 2 30 LYS HG3 3.730 . 3.730 3.347 3.244 3.505 . 0 0 "[ . 1 . 2]" 1
2158 2 65 ALA HA 2 66 GLU H 2.760 . 2.760 2.295 2.101 2.770 0.010 14 0 "[ . 1 . 2]" 1
2159 2 15 PRO HG2 2 59 PHE H 4.310 . 4.310 3.939 3.711 4.339 0.029 9 0 "[ . 1 . 2]" 1
2160 2 60 ILE MD 2 61 HIS H 4.550 . 4.550 4.610 4.545 4.676 0.126 9 0 "[ . 1 . 2]" 1
2161 2 44 THR MG 2 54 LYS H 4.740 . 4.740 4.217 4.075 4.339 . 0 0 "[ . 1 . 2]" 1
2162 2 53 ALA MB 2 54 LYS H 3.110 . 3.110 2.317 2.270 2.373 . 0 0 "[ . 1 . 2]" 1
2163 2 56 LEU HB2 2 57 TYR H 3.950 . 3.950 3.836 3.789 3.905 . 0 0 "[ . 1 . 2]" 1
2164 2 46 ILE H 2 46 ILE HG12 4.260 . 4.260 3.756 3.542 3.952 . 0 0 "[ . 1 . 2]" 1
2165 2 21 ASN HD22 2 52 ASN HB3 4.720 . 4.720 2.895 2.616 3.267 . 0 0 "[ . 1 . 2]" 1
2166 2 18 ASN H 2 20 LYS HG3 5.500 . 5.500 4.849 4.450 5.518 0.018 20 0 "[ . 1 . 2]" 1
2167 2 6 GLY H 2 7 PRO HD3 4.440 . 4.440 3.847 3.603 4.122 . 0 0 "[ . 1 . 2]" 1
2168 2 6 GLY H 2 7 PRO HD2 4.440 . 4.440 2.485 2.214 2.793 . 0 0 "[ . 1 . 2]" 1
2169 2 47 LEU HB3 2 48 GLY H 3.790 . 3.790 3.805 3.699 3.845 0.055 20 0 "[ . 1 . 2]" 1
2170 2 62 THR HB 2 63 SER H 4.560 . 4.560 4.418 4.328 4.471 . 0 0 "[ . 1 . 2]" 1
2171 2 44 THR HB 2 49 ASN H 4.700 . 4.700 4.794 4.760 4.848 0.148 11 0 "[ . 1 . 2]" 1
2172 2 39 SER HB3 2 40 GLN H 3.740 . 3.740 3.094 2.531 3.862 0.122 18 0 "[ . 1 . 2]" 1
2173 2 39 SER HB2 2 42 GLU H 5.270 . 5.270 2.928 2.334 3.795 . 0 0 "[ . 1 . 2]" 1
2174 2 39 SER HB3 2 42 GLU H 5.270 . 5.270 4.058 3.559 4.461 . 0 0 "[ . 1 . 2]" 1
2175 2 39 SER H 2 39 SER HB2 3.970 . 3.970 3.087 2.475 3.724 . 0 0 "[ . 1 . 2]" 1
2176 2 21 ASN H 2 22 CYS HA 4.920 . 4.920 4.773 4.632 4.943 0.023 11 0 "[ . 1 . 2]" 1
2177 2 40 GLN HA 2 40 GLN HE21 4.600 . 4.600 3.961 3.790 4.231 . 0 0 "[ . 1 . 2]" 1
2178 2 54 LYS HA 2 58 ASP H 4.320 . 4.320 3.875 3.717 4.049 . 0 0 "[ . 1 . 2]" 1
2179 2 26 MET HA 2 28 HIS H 3.760 . 3.760 3.819 3.765 3.868 0.108 19 0 "[ . 1 . 2]" 1
2180 2 35 LEU HA 2 38 LEU H 4.560 . 4.560 3.983 3.840 4.090 . 0 0 "[ . 1 . 2]" 1
2181 2 41 ASP HA 2 44 THR H 3.990 . 3.990 3.651 3.378 3.820 . 0 0 "[ . 1 . 2]" 1
2182 2 41 ASP HA 2 45 SER H 5.150 . 5.150 4.665 4.381 5.053 . 0 0 "[ . 1 . 2]" 1
2183 2 33 ALA HA 2 37 ALA H 4.820 . 4.820 4.781 4.674 4.853 0.033 5 0 "[ . 1 . 2]" 1
2184 2 51 ALA HA 2 54 LYS H 3.690 . 3.690 3.633 3.566 3.682 . 0 0 "[ . 1 . 2]" 1
2185 2 38 LEU HB3 2 42 GLU H 5.070 . 5.070 4.891 4.704 5.050 . 0 0 "[ . 1 . 2]" 1
2186 2 38 LEU H 2 38 LEU HB2 3.340 . 3.340 2.434 2.378 2.478 . 0 0 "[ . 1 . 2]" 1
2187 2 37 ALA H 2 38 LEU HB2 4.840 . 4.840 4.606 4.512 4.689 . 0 0 "[ . 1 . 2]" 1
2188 2 35 LEU H 2 35 LEU HB3 3.360 . 3.360 2.305 2.230 2.333 . 0 0 "[ . 1 . 2]" 1
2189 2 11 LEU H 2 11 LEU HB2 3.710 . 3.710 2.650 2.571 2.773 . 0 0 "[ . 1 . 2]" 1
2190 2 47 LEU H 2 47 LEU HB3 4.040 . 4.040 3.578 3.563 3.591 . 0 0 "[ . 1 . 2]" 1
2191 2 11 LEU HB2 2 12 LEU H 3.480 . 3.480 2.414 2.320 2.525 . 0 0 "[ . 1 . 2]" 1
2192 2 49 ASN HB2 2 51 ALA H 5.160 . 5.160 4.829 4.794 4.879 . 0 0 "[ . 1 . 2]" 1
2193 2 49 ASN HB3 2 52 ASN H 3.970 . 3.970 3.117 3.045 3.181 . 0 0 "[ . 1 . 2]" 1
2194 2 12 LEU HB2 2 13 LYS H 3.900 . 3.900 3.475 3.396 3.564 . 0 0 "[ . 1 . 2]" 1
2195 2 47 LEU HB3 2 49 ASN H 3.400 . 3.400 3.487 3.451 3.541 0.141 11 0 "[ . 1 . 2]" 1
2196 2 49 ASN H 2 49 ASN HB3 3.540 . 3.540 2.900 2.852 2.949 . 0 0 "[ . 1 . 2]" 1
2197 2 9 ASP H 2 9 ASP HB2 3.340 . 3.340 2.439 2.213 2.561 . 0 0 "[ . 1 . 2]" 1
2198 2 41 ASP H 2 41 ASP HB2 3.590 . 3.590 2.448 2.243 2.682 . 0 0 "[ . 1 . 2]" 1
2199 2 31 ASN HB2 2 33 ALA H 4.360 . 4.360 3.597 3.536 3.656 . 0 0 "[ . 1 . 2]" 1
2200 2 64 PHE HB3 2 65 ALA H 4.180 . 4.180 3.593 3.491 3.718 . 0 0 "[ . 1 . 2]" 1
2201 2 10 PHE H 2 10 PHE HB2 3.600 . 3.600 2.066 2.045 2.119 . 0 0 "[ . 1 . 2]" 1
2202 2 59 PHE H 2 59 PHE HB2 3.320 . 3.320 2.353 2.296 2.397 . 0 0 "[ . 1 . 2]" 1
2203 2 4 ASN H 2 4 ASN HB2 3.610 . 3.610 2.937 2.293 3.619 0.009 6 0 "[ . 1 . 2]" 1
2204 2 52 ASN H 2 52 ASN HB2 3.310 . 3.310 2.135 2.066 2.171 . 0 0 "[ . 1 . 2]" 1
2205 2 60 ILE HB 2 61 HIS H 4.330 . 4.330 2.805 2.692 2.862 . 0 0 "[ . 1 . 2]" 1
2206 2 34 GLU H 2 34 GLU HG2 3.260 . 3.260 2.704 2.562 2.794 . 0 0 "[ . 1 . 2]" 1
2207 2 31 ASN H 2 34 GLU HG3 4.410 . 4.410 4.233 4.153 4.357 . 0 0 "[ . 1 . 2]" 1
2208 2 30 LYS H 2 34 GLU HG3 4.560 . 4.560 2.066 1.993 2.181 . 0 0 "[ . 1 . 2]" 1
2209 2 29 VAL HB 2 30 LYS H 3.560 . 3.560 2.758 2.546 2.905 . 0 0 "[ . 1 . 2]" 1
2210 2 29 VAL HB 2 34 GLU H 4.350 . 4.350 3.507 3.453 3.567 . 0 0 "[ . 1 . 2]" 1
2211 2 29 VAL H 2 29 VAL HB 3.880 . 3.880 3.835 3.785 3.870 . 0 0 "[ . 1 . 2]" 1
2212 2 55 GLN H 2 55 GLN HG3 3.470 . 3.470 2.766 2.575 2.997 . 0 0 "[ . 1 . 2]" 1
2213 2 30 LYS HB2 2 31 ASN H 3.850 . 3.850 3.495 3.444 3.540 . 0 0 "[ . 1 . 2]" 1
2214 2 8 GLN H 2 8 GLN HG2 4.740 . 4.740 4.419 4.397 4.431 . 0 0 "[ . 1 . 2]" 1
2215 2 8 GLN H 2 8 GLN HG3 5.140 . 5.140 4.615 4.579 4.647 . 0 0 "[ . 1 . 2]" 1
2216 2 26 MET H 2 26 MET HG2 3.430 . 3.430 1.921 1.830 2.032 . 0 0 "[ . 1 . 2]" 1
2217 2 5 PRO HB2 2 6 GLY H 3.990 . 3.990 4.073 4.032 4.140 0.150 16 0 "[ . 1 . 2]" 1
2218 2 15 PRO HB2 2 16 GLY H 3.960 . 3.960 3.929 3.654 4.001 0.041 17 0 "[ . 1 . 2]" 1
2219 2 17 VAL H 2 17 VAL HB 3.320 . 3.320 2.976 2.852 3.240 . 0 0 "[ . 1 . 2]" 1
2220 2 32 ILE HG12 2 33 ALA H 4.380 . 4.380 3.901 3.796 3.992 . 0 0 "[ . 1 . 2]" 1
2221 2 54 LYS H 2 55 GLN HB2 4.790 . 4.790 4.617 4.509 4.764 . 0 0 "[ . 1 . 2]" 1
2222 2 61 HIS H 2 61 HIS HB2 3.830 . 3.830 2.679 2.267 3.778 . 0 0 "[ . 1 . 2]" 1
2223 2 15 PRO HG2 2 16 GLY H 4.520 . 4.520 3.201 2.823 3.353 . 0 0 "[ . 1 . 2]" 1
2224 2 40 GLN H 2 40 GLN HB2 3.290 . 3.290 2.165 2.119 2.225 . 0 0 "[ . 1 . 2]" 1
2225 2 8 GLN H 2 8 GLN HB2 3.960 . 3.960 2.628 2.543 2.744 . 0 0 "[ . 1 . 2]" 1
2226 2 8 GLN HE21 2 12 LEU HG 4.850 . 4.850 3.241 2.953 3.447 . 0 0 "[ . 1 . 2]" 1
2227 2 56 LEU H 2 56 LEU HG 4.630 . 4.630 4.420 4.351 4.479 . 0 0 "[ . 1 . 2]" 1
2228 2 22 CYS H 2 22 CYS HB3 3.610 . 3.610 2.719 2.583 2.799 . 0 0 "[ . 1 . 2]" 1
2229 2 20 LYS HG2 2 21 ASN H 4.590 . 4.590 2.441 2.172 3.046 . 0 0 "[ . 1 . 2]" 1
2230 2 47 LEU MD1 2 54 LYS H 5.060 . 5.060 4.579 4.488 4.679 . 0 0 "[ . 1 . 2]" 1
2231 2 20 LYS H 2 20 LYS HG2 3.670 . 3.670 1.695 1.519 1.900 . 0 0 "[ . 1 . 2]" 1
2232 2 43 LEU H 2 47 LEU MD1 5.080 . 5.080 5.090 4.986 5.159 0.079 20 0 "[ . 1 . 2]" 1
2233 2 47 LEU MD1 2 55 GLN H 5.490 . 5.490 5.085 4.841 5.263 . 0 0 "[ . 1 . 2]" 1
2234 2 12 LEU MD2 2 13 LYS H 5.200 . 5.200 4.803 4.694 4.897 . 0 0 "[ . 1 . 2]" 1
2235 2 12 LEU MD2 2 18 ASN H 3.930 . 3.930 3.458 3.290 3.602 . 0 0 "[ . 1 . 2]" 1
2236 2 22 CYS HA 2 26 MET H 4.560 . 4.560 3.873 3.769 4.000 . 0 0 "[ . 1 . 2]" 1
2237 2 31 ASN HA 2 33 ALA H 5.500 . 5.500 4.816 4.767 4.999 . 0 0 "[ . 1 . 2]" 1
2238 2 47 LEU HA 2 49 ASN H 4.730 . 4.730 4.565 4.499 4.672 . 0 0 "[ . 1 . 2]" 1
2239 2 47 LEU HG 2 48 GLY H 4.960 . 4.960 4.129 4.016 4.250 . 0 0 "[ . 1 . 2]" 1
2240 2 61 HIS HB2 2 62 THR H 5.450 . 5.450 4.396 4.057 4.593 . 0 0 "[ . 1 . 2]" 1
2241 2 61 HIS HB3 2 62 THR H 5.450 . 5.450 4.166 3.804 4.585 . 0 0 "[ . 1 . 2]" 1
2242 2 47 LEU MD1 2 56 LEU H 4.730 . 4.730 3.901 3.593 4.055 . 0 0 "[ . 1 . 2]" 1
2243 2 43 LEU H 2 53 ALA MB 4.660 . 4.660 4.011 3.955 4.071 . 0 0 "[ . 1 . 2]" 1
2244 2 40 GLN HB3 2 42 GLU H 5.370 . 5.370 5.012 4.837 5.220 . 0 0 "[ . 1 . 2]" 1
2245 2 39 SER HB2 2 41 ASP H 4.750 . 4.750 2.955 2.466 3.525 . 0 0 "[ . 1 . 2]" 1
2246 2 39 SER HB3 2 41 ASP H 4.750 . 4.750 3.761 2.974 4.490 . 0 0 "[ . 1 . 2]" 1
2247 2 52 ASN H 2 53 ALA MB 4.470 . 4.470 4.310 4.287 4.356 . 0 0 "[ . 1 . 2]" 1
2248 2 14 MET H 2 15 PRO HD2 5.380 . 5.380 4.890 4.826 4.964 . 0 0 "[ . 1 . 2]" 1
2249 2 14 MET H 2 15 PRO HD3 5.500 . 5.500 5.023 4.952 5.090 . 0 0 "[ . 1 . 2]" 1
2250 2 12 LEU HG 2 13 LYS H 4.680 . 4.680 4.325 4.229 4.486 . 0 0 "[ . 1 . 2]" 1
2251 2 13 LYS H 2 14 MET HB2 5.500 . 5.500 4.574 4.465 4.691 . 0 0 "[ . 1 . 2]" 1
2252 2 13 LYS H 2 17 VAL HB 5.500 . 5.500 4.859 4.557 5.596 0.096 4 0 "[ . 1 . 2]" 1
2253 2 55 GLN HG3 2 56 LEU H 5.500 . 5.500 4.694 4.616 4.784 . 0 0 "[ . 1 . 2]" 1
2254 2 56 LEU H 2 58 ASP HB2 5.500 . 5.500 5.035 4.684 5.448 . 0 0 "[ . 1 . 2]" 1
2255 2 56 LEU H 2 58 ASP HB3 5.500 . 5.500 5.355 5.085 5.544 0.044 5 0 "[ . 1 . 2]" 1
2256 2 5 PRO HG2 2 6 GLY H 4.790 . 4.790 3.696 3.470 3.984 . 0 0 "[ . 1 . 2]" 1
2257 1 10 PHE HA 2 10 PHE HZ 4.130 . 4.130 3.846 3.143 4.143 0.013 5 0 "[ . 1 . 2]" 1
2258 2 40 GLN HE21 2 54 LYS HB2 2.730 . 2.730 2.636 2.402 2.794 0.064 15 0 "[ . 1 . 2]" 1
2259 1 3 TYR QD 2 64 PHE HA 4.950 . 4.950 4.049 3.805 4.465 . 0 0 "[ . 1 . 2]" 1
2260 1 3 TYR QD 2 65 ALA HA 5.210 . 5.210 4.253 3.614 5.023 . 0 0 "[ . 1 . 2]" 1
2261 1 64 PHE QD 2 26 MET HA 4.350 . 4.350 3.466 3.273 3.646 . 0 0 "[ . 1 . 2]" 1
2262 2 59 PHE QD 2 62 THR HB 4.390 . 4.390 4.265 4.089 4.420 0.030 13 0 "[ . 1 . 2]" 1
2263 2 39 SER H 2 43 LEU HA 5.500 . 5.500 5.616 5.583 5.659 0.159 13 0 "[ . 1 . 2]" 1
2264 2 39 SER H 2 42 GLU HA 5.070 . 5.070 4.681 4.464 4.886 . 0 0 "[ . 1 . 2]" 1
2265 2 63 SER H 2 63 SER HB2 3.730 . 3.730 2.802 2.449 3.371 . 0 0 "[ . 1 . 2]" 1
2266 2 45 SER HA 2 47 LEU H 5.500 . 5.500 5.183 5.024 5.294 . 0 0 "[ . 1 . 2]" 1
2267 2 30 LYS H 2 34 GLU HA 4.670 . 4.670 4.531 4.451 4.599 . 0 0 "[ . 1 . 2]" 1
2268 2 50 ALA HA 2 51 ALA H 3.540 . 3.540 3.535 3.523 3.547 0.007 6 0 "[ . 1 . 2]" 1
2269 2 43 LEU HA 2 44 THR H 3.550 . 3.550 3.559 3.547 3.574 0.024 20 0 "[ . 1 . 2]" 1
2270 2 51 ALA HA 2 53 ALA H 4.300 . 4.300 4.335 4.294 4.359 0.059 15 0 "[ . 1 . 2]" 1
2271 2 42 GLU HA 2 45 SER H 3.830 . 3.830 3.474 3.367 3.551 . 0 0 "[ . 1 . 2]" 1
2272 2 27 HIS HA 2 27 HIS HD2 4.340 . 4.340 3.094 2.841 3.401 . 0 0 "[ . 1 . 2]" 1
2273 2 61 HIS H 2 62 THR HA 4.800 . 4.800 4.740 4.600 4.866 0.066 17 0 "[ . 1 . 2]" 1
2274 2 61 HIS H 2 62 THR HB 4.560 . 4.560 4.584 4.449 4.649 0.089 9 0 "[ . 1 . 2]" 1
2275 2 52 ASN HA 2 55 GLN HE21 4.310 . 4.310 2.428 1.854 3.409 . 0 0 "[ . 1 . 2]" 1
2276 2 34 GLU HA 2 38 LEU H 4.410 . 4.410 4.372 4.264 4.487 0.077 1 0 "[ . 1 . 2]" 1
2277 2 11 LEU HA 2 13 LYS H 4.190 . 4.190 3.820 3.737 3.904 . 0 0 "[ . 1 . 2]" 1
2278 1 8 GLN HA 2 64 PHE QD 3.670 . 3.670 2.303 2.152 2.488 . 0 0 "[ . 1 . 2]" 1
2279 2 59 PHE HA 2 59 PHE QD 3.880 . 3.880 2.992 2.928 3.064 . 0 0 "[ . 1 . 2]" 1
2280 2 3 TYR QD 2 8 GLN HA 4.690 . 4.690 4.717 4.551 4.797 0.107 2 0 "[ . 1 . 2]" 1
2281 2 5 PRO HA 2 8 GLN HE22 5.240 . 5.240 3.995 3.290 4.459 . 0 0 "[ . 1 . 2]" 1
2282 2 57 TYR HA 2 57 TYR QD 3.930 . 3.930 2.527 2.220 2.883 . 0 0 "[ . 1 . 2]" 1
2283 2 5 PRO HA 2 9 ASP H 4.850 . 4.850 3.168 2.967 3.264 . 0 0 "[ . 1 . 2]" 1
2284 2 24 SER HB3 2 26 MET H 5.500 . 5.500 5.536 5.164 5.636 0.136 12 0 "[ . 1 . 2]" 1
2285 2 57 TYR HA 2 60 ILE H 4.080 . 4.080 3.411 3.196 3.719 . 0 0 "[ . 1 . 2]" 1
2286 2 3 TYR HB2 2 4 ASN H 4.860 . 4.860 4.494 4.406 4.534 . 0 0 "[ . 1 . 2]" 1
2287 2 3 TYR HB3 2 4 ASN H 5.100 . 5.100 3.950 3.725 4.265 . 0 0 "[ . 1 . 2]" 1
2288 2 9 ASP HB3 2 10 PHE HA 3.970 . 3.970 4.040 3.994 4.105 0.135 12 0 "[ . 1 . 2]" 1
2289 2 49 ASN HB3 2 52 ASN HA 4.970 . 4.970 4.918 4.840 4.981 0.011 4 0 "[ . 1 . 2]" 1
2290 2 30 LYS HA 2 34 GLU HG3 4.410 . 4.410 4.473 4.434 4.582 0.172 15 0 "[ . 1 . 2]" 1
2291 2 55 GLN HA 2 55 GLN HG2 3.730 . 3.730 2.593 2.480 2.757 . 0 0 "[ . 1 . 2]" 1
2292 2 51 ALA HA 2 52 ASN HB2 5.500 . 5.500 5.567 5.549 5.581 0.081 19 0 "[ . 1 . 2]" 1
2293 2 34 GLU HA 2 34 GLU HG2 3.030 . 3.030 2.807 2.693 3.027 . 0 0 "[ . 1 . 2]" 1
2294 2 12 LEU HA 2 17 VAL HB 4.520 . 4.520 2.725 2.213 3.828 . 0 0 "[ . 1 . 2]" 1
2295 2 35 LEU HA 2 38 LEU HB2 4.930 . 4.930 4.119 4.003 4.286 . 0 0 "[ . 1 . 2]" 1
2296 2 36 ALA HA 2 38 LEU HB2 5.330 . 5.330 4.580 4.438 4.723 . 0 0 "[ . 1 . 2]" 1
2297 2 14 MET HB2 2 16 GLY HA3 5.090 . 5.090 4.990 4.902 5.090 . 0 0 "[ . 1 . 2]" 1
2298 2 36 ALA HA 2 60 ILE HG12 3.010 . 3.010 3.054 3.020 3.114 0.104 11 0 "[ . 1 . 2]" 1
2299 2 10 PHE HA 2 13 LYS HB2 3.840 . 3.840 2.603 2.303 2.980 . 0 0 "[ . 1 . 2]" 1
2300 2 43 LEU HA 2 47 LEU HG 3.050 . 3.050 2.931 2.771 3.060 0.010 16 0 "[ . 1 . 2]" 1
2301 2 12 LEU HA 2 12 LEU HG 3.840 . 3.840 3.122 3.025 3.243 . 0 0 "[ . 1 . 2]" 1
2302 2 22 CYS HA 2 25 LEU HB3 3.610 . 3.610 2.589 2.328 2.889 . 0 0 "[ . 1 . 2]" 1
2303 2 34 GLU HA 2 37 ALA MB 3.160 . 3.160 1.918 1.873 1.968 . 0 0 "[ . 1 . 2]" 1
2304 2 43 LEU HA 2 46 ILE HB 3.470 . 3.470 2.914 2.684 3.115 . 0 0 "[ . 1 . 2]" 1
2305 2 20 LYS HA 2 20 LYS HG2 3.640 . 3.640 3.540 3.476 3.618 . 0 0 "[ . 1 . 2]" 1
2306 2 25 LEU HA 2 25 LEU HG 3.330 . 3.330 3.142 3.063 3.207 . 0 0 "[ . 1 . 2]" 1
2307 2 16 GLY HA2 2 52 ASN HA 3.610 . 3.610 2.988 2.806 3.198 . 0 0 "[ . 1 . 2]" 1
2308 2 9 ASP HA 2 10 PHE HB2 5.500 . 5.500 5.475 5.455 5.503 0.003 9 0 "[ . 1 . 2]" 1
2309 2 56 LEU HA 2 59 PHE HB2 4.720 . 4.720 3.915 3.655 4.190 . 0 0 "[ . 1 . 2]" 1
2310 2 56 LEU HA 2 59 PHE HB3 5.100 . 5.100 3.675 3.416 4.010 . 0 0 "[ . 1 . 2]" 1
2311 2 56 LEU HG 2 57 TYR HA 3.810 . 3.810 3.492 3.310 3.662 . 0 0 "[ . 1 . 2]" 1
2312 2 34 GLU HA 2 38 LEU QD 4.760 . 4.760 4.210 4.116 4.331 . 0 0 "[ . 1 . 2]" 1
2313 2 36 ALA HA 2 60 ILE MD 2.740 . 2.740 2.452 2.261 2.561 . 0 0 "[ . 1 . 2]" 1
2314 2 12 LEU HA 2 17 VAL QG . . 3.120 2.404 1.636 2.752 . 0 0 "[ . 1 . 2]" 1
2315 2 57 TYR HA 2 60 ILE MD 3.050 . 3.050 2.021 1.833 2.167 . 0 0 "[ . 1 . 2]" 1
2316 2 32 ILE MG 2 33 ALA HA 4.010 . 4.010 3.912 3.827 4.026 0.016 4 0 "[ . 1 . 2]" 1
2317 2 24 SER HB3 2 46 ILE MG 3.470 . 3.470 2.382 1.965 3.033 . 0 0 "[ . 1 . 2]" 1
2318 2 43 LEU HA 2 43 LEU MD1 3.110 . 3.110 1.826 1.796 1.881 . 0 0 "[ . 1 . 2]" 1
2319 2 43 LEU HA 2 46 ILE MD 3.220 . 3.220 2.417 2.061 2.819 . 0 0 "[ . 1 . 2]" 1
2320 2 57 TYR HA 2 60 ILE MG 4.370 . 4.370 3.818 3.610 4.005 . 0 0 "[ . 1 . 2]" 1
2321 2 38 LEU HA 2 43 LEU MD2 4.970 . 4.970 3.881 3.773 3.997 . 0 0 "[ . 1 . 2]" 1
2322 2 57 TYR HA 2 60 ILE HG13 4.520 . 4.520 3.485 3.224 3.799 . 0 0 "[ . 1 . 2]" 1
2323 2 40 GLN HA 2 43 LEU HG 4.400 . 4.400 4.181 4.013 4.301 . 0 0 "[ . 1 . 2]" 1
2324 2 60 ILE HA 2 60 ILE HG13 3.750 . 3.750 2.786 2.714 2.853 . 0 0 "[ . 1 . 2]" 1
2325 1 60 ILE HA 2 32 ILE HG13 4.420 . 4.420 2.337 2.150 2.594 . 0 0 "[ . 1 . 2]" 1
2326 1 59 PHE HB3 2 32 ILE HG13 4.970 . 4.970 4.656 4.437 4.878 . 0 0 "[ . 1 . 2]" 1
2327 2 46 ILE HA 2 46 ILE MG 3.160 . 3.160 2.329 2.237 2.469 . 0 0 "[ . 1 . 2]" 1
2328 2 46 ILE HA 2 46 ILE MD 3.880 . 3.880 3.906 3.849 3.939 0.059 16 0 "[ . 1 . 2]" 1
2329 2 46 ILE HA 2 46 ILE HG12 3.750 . 3.750 2.850 2.701 2.959 . 0 0 "[ . 1 . 2]" 1
2330 2 32 ILE HA 2 32 ILE HG13 4.240 . 4.240 3.840 3.817 3.866 . 0 0 "[ . 1 . 2]" 1
2331 2 16 GLY HA2 2 55 GLN HB3 4.110 . 4.110 2.885 2.656 3.003 . 0 0 "[ . 1 . 2]" 1
2332 2 56 LEU HB3 2 57 TYR HB2 5.500 . 5.500 4.238 4.133 4.399 . 0 0 "[ . 1 . 2]" 1
2333 2 56 LEU HB3 2 57 TYR HB3 5.500 . 5.500 4.910 4.801 5.058 . 0 0 "[ . 1 . 2]" 1
2334 2 18 ASN HB3 2 19 ALA MB 4.840 . 4.840 4.498 4.344 4.738 . 0 0 "[ . 1 . 2]" 1
2335 2 10 PHE HB3 2 11 LEU HG 4.070 . 4.070 3.943 3.638 4.095 0.025 3 0 "[ . 1 . 2]" 1
2336 2 40 GLN HA 2 43 LEU HB3 4.220 . 4.220 4.214 4.073 4.301 0.081 19 0 "[ . 1 . 2]" 1
2337 1 33 ALA HA 2 36 ALA MB 2.920 . 2.920 2.083 1.966 2.361 . 0 0 "[ . 1 . 2]" 1
2338 1 7 PRO HD3 2 62 THR MG 4.040 . 4.040 2.762 2.372 3.106 . 0 0 "[ . 1 . 2]" 1
2339 2 36 ALA MB 2 60 ILE HA 4.730 . 4.730 4.467 4.359 4.564 . 0 0 "[ . 1 . 2]" 1
2340 2 40 GLN HA 2 40 GLN HG2 3.800 . 3.800 2.204 2.141 2.244 . 0 0 "[ . 1 . 2]" 1
2341 2 40 GLN HA 2 43 LEU HB2 4.290 . 4.290 2.638 2.514 2.705 . 0 0 "[ . 1 . 2]" 1
2342 2 14 MET HB2 2 16 GLY HA2 5.500 . 5.500 5.533 5.499 5.580 0.080 3 0 "[ . 1 . 2]" 1
2343 2 60 ILE HB 2 60 ILE HG13 2.970 . 2.970 2.558 2.531 2.585 . 0 0 "[ . 1 . 2]" 1
2344 2 29 VAL MG1 2 34 GLU HB3 4.060 . 4.060 2.263 2.102 2.433 . 0 0 "[ . 1 . 2]" 1
2345 2 29 VAL HB 2 38 LEU QD 4.500 . 4.500 3.785 3.672 3.911 . 0 0 "[ . 1 . 2]" 1
2346 2 38 LEU HB3 2 43 LEU MD2 2.950 . 2.950 2.035 1.955 2.120 . 0 0 "[ . 1 . 2]" 1
2347 2 12 LEU HB3 2 12 LEU MD2 2.800 . 2.800 2.222 2.114 2.287 . 0 0 "[ . 1 . 2]" 1
2348 2 12 LEU MD2 2 19 ALA MB 3.050 . 3.050 3.113 3.068 3.169 0.119 13 0 "[ . 1 . 2]" 1
2349 1 36 ALA MB 2 32 ILE MD 5.090 . 5.090 4.850 4.632 5.028 . 0 0 "[ . 1 . 2]" 1
2350 2 11 LEU MD2 2 25 LEU HB3 4.490 . 4.490 3.679 3.433 3.904 . 0 0 "[ . 1 . 2]" 1
2351 2 11 LEU HB2 2 17 VAL HB 5.500 . 5.500 5.048 4.647 5.548 0.048 4 0 "[ . 1 . 2]" 1
2352 2 11 LEU HB3 2 17 VAL HB 5.500 . 5.500 4.424 4.096 4.840 . 0 0 "[ . 1 . 2]" 1
2353 2 43 LEU HB3 2 47 LEU HG 3.850 . 3.850 3.261 3.074 3.516 . 0 0 "[ . 1 . 2]" 1
2354 2 53 ALA HA 2 56 LEU HB3 4.220 . 4.220 2.958 2.824 3.183 . 0 0 "[ . 1 . 2]" 1
2355 2 59 PHE QD 2 60 ILE HA 4.220 . 4.220 3.356 3.209 3.479 . 0 0 "[ . 1 . 2]" 1
2356 1 64 PHE QE 2 31 ASN HB2 4.550 . 4.550 4.557 4.460 4.600 0.050 8 0 "[ . 1 . 2]" 1
2357 1 59 PHE QD 2 32 ILE HG12 4.170 . 4.170 4.107 3.916 4.199 0.029 20 0 "[ . 1 . 2]" 1
2358 1 64 PHE QD 2 26 MET ME 3.960 . 3.960 3.414 3.088 3.743 . 0 0 "[ . 1 . 2]" 1
2359 1 64 PHE QE 2 26 MET ME 4.100 . 4.100 4.155 4.027 4.254 0.154 19 0 "[ . 1 . 2]" 1
2360 2 3 TYR QD 2 26 MET ME 3.730 . 3.730 3.252 2.908 3.539 . 0 0 "[ . 1 . 2]" 1
2361 1 59 PHE QD 2 32 ILE HB 4.760 . 4.760 4.677 4.545 4.770 0.010 10 0 "[ . 1 . 2]" 1
2362 2 59 PHE QD 2 60 ILE HG13 4.240 . 4.240 3.937 3.671 4.171 . 0 0 "[ . 1 . 2]" 1
2363 1 59 PHE QD 2 32 ILE MG 4.420 . 4.420 3.944 3.771 4.130 . 0 0 "[ . 1 . 2]" 1
2364 2 59 PHE QD 2 60 ILE MG 5.320 . 5.320 5.145 4.977 5.279 . 0 0 "[ . 1 . 2]" 1
2365 2 3 TYR QE 2 26 MET HG2 4.860 . 4.860 4.582 4.293 4.798 . 0 0 "[ . 1 . 2]" 1
2366 2 3 TYR QE 2 26 MET ME 4.310 . 4.310 3.848 3.496 4.181 . 0 0 "[ . 1 . 2]" 1
2367 2 20 LYS HB2 2 21 ASN H 3.610 . 3.610 3.365 3.154 3.647 0.037 20 0 "[ . 1 . 2]" 1
2368 2 43 LEU H 2 43 LEU HB2 3.300 . 3.300 2.250 2.217 2.281 . 0 0 "[ . 1 . 2]" 1
2369 2 38 LEU HB3 2 43 LEU H 4.150 . 4.150 3.749 3.603 3.896 . 0 0 "[ . 1 . 2]" 1
2370 2 20 LYS HB2 2 22 CYS H 5.500 . 5.500 5.088 4.876 5.292 . 0 0 "[ . 1 . 2]" 1
2371 2 36 ALA H 2 60 ILE HG12 5.500 . 5.500 5.258 5.148 5.351 . 0 0 "[ . 1 . 2]" 1
2372 2 19 ALA MB 2 22 CYS H 4.820 . 4.820 4.526 4.370 4.699 . 0 0 "[ . 1 . 2]" 1
2373 2 43 LEU HB2 2 54 LYS H 5.500 . 5.500 5.539 5.504 5.565 0.065 5 0 "[ . 1 . 2]" 1
2374 2 47 LEU HB2 2 48 GLY H 3.790 . 3.790 2.672 2.565 2.776 . 0 0 "[ . 1 . 2]" 1
2375 2 46 ILE HB 2 48 GLY H 5.500 . 5.500 4.656 4.588 4.855 . 0 0 "[ . 1 . 2]" 1
2376 2 55 GLN HB3 2 56 LEU H 3.930 . 3.930 3.306 3.114 3.478 . 0 0 "[ . 1 . 2]" 1
2377 2 49 ASN HD22 2 51 ALA MB 4.070 . 4.070 2.815 2.658 2.878 . 0 0 "[ . 1 . 2]" 1
2378 2 22 CYS HB3 2 23 ARG H 4.220 . 4.220 2.599 2.467 2.750 . 0 0 "[ . 1 . 2]" 1
2379 2 25 LEU H 2 25 LEU HG 4.600 . 4.600 4.516 4.434 4.554 . 0 0 "[ . 1 . 2]" 1
2380 2 25 LEU H 2 26 MET HG2 4.300 . 4.300 4.033 3.927 4.155 . 0 0 "[ . 1 . 2]" 1
2381 2 55 GLN H 2 55 GLN HG2 4.760 . 4.760 3.994 3.828 4.148 . 0 0 "[ . 1 . 2]" 1
2382 2 4 ASN HD21 2 5 PRO HG2 5.340 . 5.340 4.400 4.009 4.999 . 0 0 "[ . 1 . 2]" 1
2383 2 4 ASN HD21 2 5 PRO HG3 5.500 . 5.500 5.266 4.687 5.564 0.064 15 0 "[ . 1 . 2]" 1
2384 2 14 MET HB3 2 17 VAL H 4.800 . 4.800 4.577 4.358 4.843 0.043 20 0 "[ . 1 . 2]" 1
2385 2 8 GLN HE21 2 9 ASP HB2 5.040 . 5.040 3.962 3.741 4.272 . 0 0 "[ . 1 . 2]" 1
2386 1 7 PRO HB2 2 64 PHE QD 3.530 . 3.530 2.353 2.203 2.506 . 0 0 "[ . 1 . 2]" 1
2387 2 15 PRO HG3 2 59 PHE QD 4.690 . 4.690 2.513 2.313 2.808 . 0 0 "[ . 1 . 2]" 1
2388 2 49 ASN HD21 2 50 ALA MB 4.490 . 4.490 4.508 4.329 4.554 0.064 7 0 "[ . 1 . 2]" 1
2389 2 40 GLN HB3 2 57 TYR QD 5.050 . 5.050 4.569 4.113 4.873 . 0 0 "[ . 1 . 2]" 1
2390 1 25 LEU HG 2 64 PHE QE 4.760 . 4.760 4.769 4.679 4.827 0.067 12 0 "[ . 1 . 2]" 1
2391 2 40 GLN HA 2 57 TYR QD 4.810 . 4.810 3.629 3.313 3.770 . 0 0 "[ . 1 . 2]" 1
2392 2 16 GLY HA2 2 52 ASN HD22 5.410 . 5.410 4.931 4.514 5.157 . 0 0 "[ . 1 . 2]" 1
2393 2 31 ASN H 2 32 ILE HA 5.020 . 5.020 4.863 4.728 4.905 . 0 0 "[ . 1 . 2]" 1
2394 1 32 ILE HA 2 64 PHE QE 5.480 . 5.480 4.719 4.585 4.854 . 0 0 "[ . 1 . 2]" 1
2395 1 7 PRO HD3 2 59 PHE QE 3.870 . 3.870 3.467 3.232 3.766 . 0 0 "[ . 1 . 2]" 1
2396 2 21 ASN HA 2 47 LEU HA 4.450 . 4.450 3.831 3.385 4.166 . 0 0 "[ . 1 . 2]" 1
2397 1 35 LEU HB3 2 64 PHE HZ 4.480 . 4.480 4.329 4.210 4.492 0.012 19 0 "[ . 1 . 2]" 1
2398 2 40 GLN HB3 2 40 GLN HE22 4.650 . 4.650 4.496 4.347 4.570 . 0 0 "[ . 1 . 2]" 1
2399 2 40 GLN HE22 2 50 ALA MB 5.140 . 5.140 3.651 3.395 3.966 . 0 0 "[ . 1 . 2]" 1
2400 2 18 ASN HD22 2 20 LYS HB2 5.500 . 5.500 5.563 5.491 5.638 0.138 15 0 "[ . 1 . 2]" 1
2401 1 64 PHE QD 2 31 ASN HA 3.600 . 3.600 3.601 3.518 3.670 0.070 19 0 "[ . 1 . 2]" 1
2402 2 12 LEU HB3 2 18 ASN H 5.500 . 5.500 5.641 5.609 5.681 0.181 20 0 "[ . 1 . 2]" 1
2403 2 18 ASN H 2 20 LYS HG2 4.480 . 4.480 4.251 3.937 4.626 0.146 4 0 "[ . 1 . 2]" 1
2404 2 50 ALA H 2 51 ALA MB 4.880 . 4.880 4.406 4.344 4.457 . 0 0 "[ . 1 . 2]" 1
2405 2 18 ASN HA 2 20 LYS HG2 4.850 . 4.850 4.575 4.497 4.725 . 0 0 "[ . 1 . 2]" 1
2406 1 2 LYS QB 1 3 TYR HA 4.500 . 4.500 4.042 3.754 4.179 . 0 0 "[ . 1 . 2]" 1
2407 1 2 LYS QB 1 3 TYR QD 4.590 . 4.590 4.502 3.939 4.716 0.126 16 0 "[ . 1 . 2]" 1
2408 1 2 LYS QB 1 4 ASN H 4.530 . 4.530 4.505 3.597 4.778 0.248 15 0 "[ . 1 . 2]" 1
2409 1 2 LYS QB 2 65 ALA MB 3.570 . 3.570 2.519 1.980 3.582 0.012 14 0 "[ . 1 . 2]" 1
2410 1 2 LYS QB 2 66 GLU H 3.910 . 3.910 2.991 2.016 4.012 0.102 19 0 "[ . 1 . 2]" 1
2411 1 4 ASN H 1 4 ASN QB 3.040 . 3.040 2.408 2.271 2.566 . 0 0 "[ . 1 . 2]" 1
2412 1 4 ASN QB 1 5 PRO HA 4.890 . 4.890 4.638 4.566 4.780 . 0 0 "[ . 1 . 2]" 1
2413 1 4 ASN QB 1 5 PRO HG2 5.340 . 5.340 4.025 3.593 4.193 . 0 0 "[ . 1 . 2]" 1
2414 1 4 ASN QB 1 5 PRO HD2 3.690 . 3.690 2.452 1.924 2.651 . 0 0 "[ . 1 . 2]" 1
2415 1 4 ASN QB 1 5 PRO HD3 4.370 . 4.370 3.728 3.329 3.880 . 0 0 "[ . 1 . 2]" 1
2416 1 4 ASN QB 1 6 GLY H 3.930 . 3.930 2.540 2.408 2.957 . 0 0 "[ . 1 . 2]" 1
2417 1 4 ASN QB 1 8 GLN H 5.340 . 5.340 4.207 3.918 5.421 0.081 19 0 "[ . 1 . 2]" 1
2418 1 7 PRO HB2 2 64 PHE QB 5.340 . 5.340 4.211 4.018 4.351 . 0 0 "[ . 1 . 2]" 1
2419 1 8 GLN HA 1 11 LEU QD 3.580 . 3.580 2.491 2.353 2.676 . 0 0 "[ . 1 . 2]" 1
2420 1 8 GLN HA 2 64 PHE QB 4.720 . 4.720 3.527 3.376 3.720 . 0 0 "[ . 1 . 2]" 1
2421 1 8 GLN HB2 2 64 PHE QB 4.740 . 4.740 2.685 2.466 2.912 . 0 0 "[ . 1 . 2]" 1
2422 1 8 GLN HG2 1 11 LEU QD 4.810 . 4.810 3.210 2.989 3.459 . 0 0 "[ . 1 . 2]" 1
2423 1 8 GLN HE21 1 22 CYS QB 5.340 . 5.340 5.240 4.982 5.383 0.043 17 0 "[ . 1 . 2]" 1
2424 1 10 PHE H 1 11 LEU QD 4.960 . 4.960 4.518 4.441 4.664 . 0 0 "[ . 1 . 2]" 1
2425 1 10 PHE H 1 13 LYS QB 5.340 . 5.340 5.118 4.696 5.414 0.074 14 0 "[ . 1 . 2]" 1
2426 1 10 PHE HA 1 13 LYS QB 3.610 . 3.610 2.739 2.375 3.052 . 0 0 "[ . 1 . 2]" 1
2427 1 10 PHE HA 1 13 LYS QE 5.340 . 5.340 4.372 3.363 5.374 0.034 17 0 "[ . 1 . 2]" 1
2428 1 10 PHE HA 1 35 LEU QD 5.230 . 5.230 5.323 5.241 5.382 0.152 15 0 "[ . 1 . 2]" 1
2429 1 10 PHE HB3 1 13 LYS QB 4.850 . 4.850 4.622 4.422 4.843 . 0 0 "[ . 1 . 2]" 1
2430 1 10 PHE QD 1 13 LYS QG 3.790 . 3.790 3.547 3.226 3.784 . 0 0 "[ . 1 . 2]" 1
2431 1 11 LEU H 1 11 LEU QD 3.550 . 3.550 2.933 2.864 3.043 . 0 0 "[ . 1 . 2]" 1
2432 1 11 LEU H 1 17 VAL QG 5.440 . 5.440 4.668 4.553 4.814 . 0 0 "[ . 1 . 2]" 1
2433 1 11 LEU H 1 35 LEU QD 4.490 . 4.490 4.318 4.251 4.409 . 0 0 "[ . 1 . 2]" 1
2434 1 11 LEU HA 1 11 LEU QD 2.980 . 2.980 2.178 2.034 2.348 . 0 0 "[ . 1 . 2]" 1
2435 1 11 LEU HA 1 17 VAL QG 4.030 . 4.030 3.280 3.113 3.619 . 0 0 "[ . 1 . 2]" 1
2436 1 11 LEU HB2 1 22 CYS QB 5.040 . 5.040 4.202 4.017 4.330 . 0 0 "[ . 1 . 2]" 1
2437 1 11 LEU HB3 1 17 VAL QG 3.820 . 3.820 2.421 2.235 2.867 . 0 0 "[ . 1 . 2]" 1
2438 1 11 LEU QD 1 12 LEU H 4.610 . 4.610 3.900 3.807 3.988 . 0 0 "[ . 1 . 2]" 1
2439 1 11 LEU QD 1 12 LEU HG 4.260 . 4.260 3.970 3.736 4.123 . 0 0 "[ . 1 . 2]" 1
2440 1 11 LEU QD 1 12 LEU MD2 4.040 . 4.040 3.955 3.671 4.062 0.022 3 0 "[ . 1 . 2]" 1
2441 1 11 LEU QD 1 22 CYS QB 4.120 . 4.120 3.825 3.773 3.893 . 0 0 "[ . 1 . 2]" 1
2442 1 11 LEU QD 1 25 LEU HB3 3.670 . 3.670 2.603 2.269 2.886 . 0 0 "[ . 1 . 2]" 1
2443 1 11 LEU QD 1 25 LEU HG 3.810 . 3.810 2.497 2.336 2.633 . 0 0 "[ . 1 . 2]" 1
2444 1 11 LEU QD 1 25 LEU MD2 3.240 . 3.240 1.857 1.788 1.923 . 0 0 "[ . 1 . 2]" 1
2445 1 11 LEU QD 1 26 MET H 4.620 . 4.620 3.105 2.948 3.256 . 0 0 "[ . 1 . 2]" 1
2446 1 11 LEU QD 1 26 MET HA 4.270 . 4.270 3.102 2.935 3.378 . 0 0 "[ . 1 . 2]" 1
2447 1 11 LEU QD 1 26 MET HG2 4.240 . 4.240 3.549 3.377 3.658 . 0 0 "[ . 1 . 2]" 1
2448 1 11 LEU QD 1 26 MET ME 3.360 . 3.360 2.044 1.987 2.180 . 0 0 "[ . 1 . 2]" 1
2449 1 11 LEU QD 1 35 LEU HB2 4.830 . 4.830 2.893 2.804 3.002 . 0 0 "[ . 1 . 2]" 1
2450 1 11 LEU QD 2 64 PHE QD 4.480 . 4.480 3.005 2.739 3.167 . 0 0 "[ . 1 . 2]" 1
2451 1 11 LEU QD 2 64 PHE QE 4.240 . 4.240 2.007 1.853 2.160 . 0 0 "[ . 1 . 2]" 1
2452 1 11 LEU QD 2 64 PHE HZ 3.910 . 3.910 2.316 2.125 2.568 . 0 0 "[ . 1 . 2]" 1
2453 1 12 LEU H 1 17 VAL QG 4.390 . 4.390 3.550 3.349 3.796 . 0 0 "[ . 1 . 2]" 1
2454 1 12 LEU HB3 1 22 CYS QB 5.340 . 5.340 5.026 4.849 5.188 . 0 0 "[ . 1 . 2]" 1
2455 1 12 LEU HG 1 22 CYS QB 4.700 . 4.700 3.860 3.706 4.030 . 0 0 "[ . 1 . 2]" 1
2456 1 13 LYS H 1 13 LYS QB 3.060 . 3.060 2.358 2.228 2.447 . 0 0 "[ . 1 . 2]" 1
2457 1 13 LYS H 1 13 LYS QG 3.280 . 3.280 2.568 2.323 2.859 . 0 0 "[ . 1 . 2]" 1
2458 1 13 LYS H 1 13 LYS QD 4.570 . 4.570 3.847 3.207 4.326 . 0 0 "[ . 1 . 2]" 1
2459 1 13 LYS H 1 13 LYS QE 4.610 . 4.610 4.246 3.149 4.717 0.107 6 0 "[ . 1 . 2]" 1
2460 1 13 LYS HA 1 13 LYS QG 3.170 . 3.170 2.864 2.664 3.054 . 0 0 "[ . 1 . 2]" 1
2461 1 13 LYS HA 1 13 LYS QE 4.040 . 4.040 3.370 1.915 4.097 0.057 12 0 "[ . 1 . 2]" 1
2462 1 13 LYS QB 1 13 LYS QD 3.120 . 3.120 2.339 2.215 2.509 . 0 0 "[ . 1 . 2]" 1
2463 1 13 LYS QB 1 14 MET H 3.670 . 3.670 3.240 2.949 3.515 . 0 0 "[ . 1 . 2]" 1
2464 1 13 LYS QB 2 10 PHE QE 3.870 . 3.870 2.428 2.116 2.699 . 0 0 "[ . 1 . 2]" 1
2465 1 13 LYS QE 1 13 LYS QG 2.810 . 2.810 2.164 2.026 2.333 . 0 0 "[ . 1 . 2]" 1
2466 1 13 LYS QD 2 10 PHE QE 5.120 . 5.120 4.179 3.779 4.860 . 0 0 "[ . 1 . 2]" 1
2467 1 14 MET HB2 1 17 VAL QG 3.490 . 3.490 2.107 1.991 2.299 . 0 0 "[ . 1 . 2]" 1
2468 1 15 PRO HD2 1 17 VAL QG 4.850 . 4.850 4.527 4.344 4.688 . 0 0 "[ . 1 . 2]" 1
2469 1 16 GLY H 1 17 VAL QG 4.620 . 4.620 3.057 2.889 3.445 . 0 0 "[ . 1 . 2]" 1
2470 1 16 GLY HA2 1 17 VAL QG 4.780 . 4.780 4.165 4.091 4.275 . 0 0 "[ . 1 . 2]" 1
2471 1 17 VAL HA 1 21 ASN QD 3.580 . 3.580 2.063 1.826 2.477 . 0 0 "[ . 1 . 2]" 1
2472 1 17 VAL QG 1 18 ASN HA 5.440 . 5.440 3.315 3.038 3.447 . 0 0 "[ . 1 . 2]" 1
2473 1 17 VAL QG 1 18 ASN HD21 4.970 . 4.970 4.288 4.164 4.469 . 0 0 "[ . 1 . 2]" 1
2474 1 17 VAL QG 1 18 ASN HD22 4.650 . 4.650 4.688 4.647 4.737 0.087 4 0 "[ . 1 . 2]" 1
2475 1 17 VAL QG 1 21 ASN H 5.180 . 5.180 4.206 4.066 4.364 . 0 0 "[ . 1 . 2]" 1
2476 1 17 VAL QG 1 21 ASN QD 3.890 . 3.890 2.893 2.551 3.371 . 0 0 "[ . 1 . 2]" 1
2477 1 17 VAL QG 1 22 CYS H 4.430 . 4.430 3.626 3.419 3.922 . 0 0 "[ . 1 . 2]" 1
2478 1 17 VAL QG 1 22 CYS HA 4.470 . 4.470 2.951 2.710 3.345 . 0 0 "[ . 1 . 2]" 1
2479 1 17 VAL QG 1 56 LEU MD1 3.230 . 3.230 2.166 1.908 3.240 0.010 10 0 "[ . 1 . 2]" 1
2480 1 18 ASN H 1 22 CYS QB 4.530 . 4.530 3.811 3.666 3.942 . 0 0 "[ . 1 . 2]" 1
2481 1 18 ASN HA 1 22 CYS QB 5.050 . 5.050 4.501 4.301 4.768 . 0 0 "[ . 1 . 2]" 1
2482 1 18 ASN HD21 1 22 CYS QB 5.340 . 5.340 5.323 5.163 5.378 0.038 13 0 "[ . 1 . 2]" 1
2483 1 18 ASN HD22 1 21 ASN QD 4.050 . 4.050 2.938 2.271 3.368 . 0 0 "[ . 1 . 2]" 1
2484 1 19 ALA MB 1 22 CYS QB 4.410 . 4.410 3.564 3.333 3.705 . 0 0 "[ . 1 . 2]" 1
2485 1 20 LYS H 1 20 LYS QE 5.040 . 5.040 4.385 4.067 4.703 . 0 0 "[ . 1 . 2]" 1
2486 1 20 LYS H 1 22 CYS QB 4.310 . 4.310 4.323 4.255 4.364 0.054 17 0 "[ . 1 . 2]" 1
2487 1 20 LYS HA 1 20 LYS QE 5.250 . 5.250 4.298 4.016 4.641 . 0 0 "[ . 1 . 2]" 1
2488 1 20 LYS HB2 1 20 LYS QE 4.350 . 4.350 2.295 2.068 2.582 . 0 0 "[ . 1 . 2]" 1
2489 1 20 LYS HB3 1 20 LYS QE 4.640 . 4.640 2.388 1.871 2.989 . 0 0 "[ . 1 . 2]" 1
2490 1 20 LYS QE 1 20 LYS HG3 3.160 . 3.160 2.475 2.297 2.886 . 0 0 "[ . 1 . 2]" 1
2491 1 21 ASN H 1 21 ASN QD 4.360 . 4.360 3.933 3.648 4.106 . 0 0 "[ . 1 . 2]" 1
2492 1 21 ASN HA 1 22 CYS QB 5.340 . 5.340 5.026 4.984 5.067 . 0 0 "[ . 1 . 2]" 1
2493 1 21 ASN HA 1 47 LEU QD 4.370 . 4.370 3.925 3.743 4.140 . 0 0 "[ . 1 . 2]" 1
2494 1 21 ASN HB2 1 47 LEU QD 3.290 . 3.290 2.020 1.903 2.244 . 0 0 "[ . 1 . 2]" 1
2495 1 21 ASN HB3 1 47 LEU QD 4.180 . 4.180 3.225 3.021 3.477 . 0 0 "[ . 1 . 2]" 1
2496 1 21 ASN QD 1 47 LEU HA 4.500 . 4.500 3.208 2.914 3.691 . 0 0 "[ . 1 . 2]" 1
2497 1 21 ASN QD 1 47 LEU QB 3.920 . 3.920 2.025 1.793 2.278 . 0 0 "[ . 1 . 2]" 1
2498 1 21 ASN QD 1 47 LEU QD 2.960 . 2.960 1.802 1.644 2.295 . 0 0 "[ . 1 . 2]" 1
2499 1 21 ASN QD 1 52 ASN HB3 4.110 . 4.110 2.496 2.319 2.730 . 0 0 "[ . 1 . 2]" 1
2500 1 22 CYS H 1 22 CYS QB 3.040 . 3.040 2.230 2.209 2.257 . 0 0 "[ . 1 . 2]" 1
2501 1 22 CYS QB 1 23 ARG H 3.630 . 3.630 2.537 2.428 2.658 . 0 0 "[ . 1 . 2]" 1
2502 1 22 CYS QB 1 23 ARG HG3 5.340 . 5.340 4.496 4.159 4.866 . 0 0 "[ . 1 . 2]" 1
2503 1 22 CYS QB 1 25 LEU HB3 5.340 . 5.340 4.559 4.426 4.704 . 0 0 "[ . 1 . 2]" 1
2504 1 22 CYS QB 1 26 MET HG2 5.340 . 5.340 4.639 4.477 4.841 . 0 0 "[ . 1 . 2]" 1
2505 1 22 CYS QB 1 26 MET ME 3.940 . 3.940 3.233 3.047 3.491 . 0 0 "[ . 1 . 2]" 1
2506 1 23 ARG H 1 23 ARG QD 4.300 . 4.300 3.970 3.716 4.223 . 0 0 "[ . 1 . 2]" 1
2507 1 23 ARG HA 1 23 ARG QD 4.040 . 4.040 4.088 3.950 4.201 0.161 4 0 "[ . 1 . 2]" 1
2508 1 23 ARG HB2 1 23 ARG QD 2.980 . 2.980 2.379 2.063 2.802 . 0 0 "[ . 1 . 2]" 1
2509 1 23 ARG HB3 1 23 ARG QD 3.650 . 3.650 3.221 2.790 3.560 . 0 0 "[ . 1 . 2]" 1
2510 1 23 ARG QD 1 23 ARG HG3 2.630 . 2.630 2.293 2.152 2.501 . 0 0 "[ . 1 . 2]" 1
2511 1 23 ARG QD 1 24 SER H 4.090 . 4.090 2.739 2.180 3.350 . 0 0 "[ . 1 . 2]" 1
2512 1 23 ARG QD 1 24 SER HA 4.020 . 4.020 3.142 2.641 3.940 . 0 0 "[ . 1 . 2]" 1
2513 1 23 ARG QD 1 24 SER HB2 4.140 . 4.140 3.378 2.757 4.240 0.100 16 0 "[ . 1 . 2]" 1
2514 1 26 MET ME 2 64 PHE QB 3.690 . 3.690 3.052 2.628 3.293 . 0 0 "[ . 1 . 2]" 1
2515 1 28 HIS H 1 28 HIS QB 2.960 . 2.960 2.324 2.208 2.419 . 0 0 "[ . 1 . 2]" 1
2516 1 28 HIS QB 1 29 VAL MG1 3.550 . 3.550 2.566 2.341 2.692 . 0 0 "[ . 1 . 2]" 1
2517 1 28 HIS QB 1 38 LEU QD 4.420 . 4.420 3.078 2.857 3.259 . 0 0 "[ . 1 . 2]" 1
2518 1 28 HIS QB 1 46 ILE MG 3.420 . 3.420 2.172 1.990 2.316 . 0 0 "[ . 1 . 2]" 1
2519 1 28 HIS QB 1 46 ILE HG13 4.690 . 4.690 4.326 4.098 4.553 . 0 0 "[ . 1 . 2]" 1
2520 1 28 HIS QB 1 46 ILE MD 3.300 . 3.300 2.573 2.276 2.930 . 0 0 "[ . 1 . 2]" 1
2521 1 29 VAL HA 1 30 LYS QB 5.200 . 5.200 4.506 4.450 4.560 . 0 0 "[ . 1 . 2]" 1
2522 1 29 VAL HA 1 30 LYS QG 3.870 . 3.870 3.942 3.908 4.008 0.138 3 0 "[ . 1 . 2]" 1
2523 1 29 VAL HA 1 30 LYS QD 5.340 . 5.340 5.121 4.929 5.363 0.023 14 0 "[ . 1 . 2]" 1
2524 1 29 VAL MG2 1 30 LYS QG 4.320 . 4.320 4.123 3.979 4.228 . 0 0 "[ . 1 . 2]" 1
2525 1 30 LYS H 1 30 LYS QB 3.110 . 3.110 2.601 2.537 2.663 . 0 0 "[ . 1 . 2]" 1
2526 1 30 LYS H 1 30 LYS QG 3.270 . 3.270 1.919 1.829 2.029 . 0 0 "[ . 1 . 2]" 1
2527 1 30 LYS H 1 30 LYS QD 3.760 . 3.760 3.383 3.223 3.577 . 0 0 "[ . 1 . 2]" 1
2528 1 30 LYS HA 1 30 LYS QG 3.430 . 3.430 3.340 3.330 3.352 . 0 0 "[ . 1 . 2]" 1
2529 1 30 LYS QB 1 30 LYS QG 2.310 . 2.310 2.074 2.063 2.080 . 0 0 "[ . 1 . 2]" 1
2530 1 30 LYS QB 1 31 ASN H 3.180 . 3.180 3.249 3.218 3.278 0.098 20 0 "[ . 1 . 2]" 1
2531 1 30 LYS QB 1 31 ASN HD21 3.980 . 3.980 2.925 2.804 3.031 . 0 0 "[ . 1 . 2]" 1
2532 1 30 LYS QB 1 31 ASN HD22 4.090 . 4.090 2.708 2.580 2.792 . 0 0 "[ . 1 . 2]" 1
2533 1 30 LYS QD 1 30 LYS QG 2.290 . 2.290 2.019 2.002 2.028 . 0 0 "[ . 1 . 2]" 1
2534 1 30 LYS QE 1 30 LYS QG 3.200 . 3.200 2.303 2.244 2.357 . 0 0 "[ . 1 . 2]" 1
2535 1 30 LYS QG 1 31 ASN H 3.760 . 3.760 1.989 1.940 2.025 . 0 0 "[ . 1 . 2]" 1
2536 1 30 LYS QG 1 31 ASN HB2 5.340 . 5.340 4.201 4.117 4.280 . 0 0 "[ . 1 . 2]" 1
2537 1 30 LYS QG 1 31 ASN HD21 4.580 . 4.580 3.377 3.161 3.529 . 0 0 "[ . 1 . 2]" 1
2538 1 30 LYS QG 1 31 ASN HD22 4.440 . 4.440 2.752 2.542 2.917 . 0 0 "[ . 1 . 2]" 1
2539 1 30 LYS QG 1 32 ILE H 4.280 . 4.280 4.263 4.151 4.334 0.054 17 0 "[ . 1 . 2]" 1
2540 1 30 LYS QG 1 33 ALA MB 3.750 . 3.750 2.439 2.348 2.584 . 0 0 "[ . 1 . 2]" 1
2541 1 30 LYS QG 1 34 GLU HG2 4.710 . 4.710 1.967 1.783 2.208 . 0 0 "[ . 1 . 2]" 1
2542 1 30 LYS QD 1 31 ASN H 3.900 . 3.900 3.909 3.856 3.936 0.036 19 0 "[ . 1 . 2]" 1
2543 1 30 LYS QD 1 33 ALA H 4.400 . 4.400 4.396 4.301 4.434 0.034 18 0 "[ . 1 . 2]" 1
2544 1 30 LYS QD 1 33 ALA HA 4.840 . 4.840 4.782 4.689 4.868 0.028 13 0 "[ . 1 . 2]" 1
2545 1 30 LYS QD 1 34 GLU HA 4.440 . 4.440 4.066 3.787 4.289 . 0 0 "[ . 1 . 2]" 1
2546 1 31 ASN HD21 2 63 SER QB 4.040 . 4.040 3.495 3.174 3.998 . 0 0 "[ . 1 . 2]" 1
2547 1 31 ASN HD22 2 61 HIS QB 5.340 . 5.340 4.354 3.297 5.139 . 0 0 "[ . 1 . 2]" 1
2548 1 32 ILE HA 1 35 LEU QD 3.670 . 3.670 2.368 2.213 2.515 . 0 0 "[ . 1 . 2]" 1
2549 1 32 ILE MD 1 35 LEU QD 3.510 . 3.510 2.449 2.314 2.534 . 0 0 "[ . 1 . 2]" 1
2550 1 35 LEU H 1 35 LEU QD 4.130 . 4.130 3.749 3.733 3.764 . 0 0 "[ . 1 . 2]" 1
2551 1 35 LEU HA 1 35 LEU QD 3.190 . 3.190 2.379 2.277 2.528 . 0 0 "[ . 1 . 2]" 1
2552 1 35 LEU HB3 1 35 LEU QD 2.730 . 2.730 2.224 2.169 2.266 . 0 0 "[ . 1 . 2]" 1
2553 1 35 LEU QD 1 36 ALA HA 5.020 . 5.020 3.883 3.819 3.975 . 0 0 "[ . 1 . 2]" 1
2554 1 38 LEU HA 1 43 LEU QD 4.930 . 4.930 3.834 3.685 3.967 . 0 0 "[ . 1 . 2]" 1
2555 1 38 LEU HB2 1 43 LEU QD 4.290 . 4.290 2.401 2.270 2.558 . 0 0 "[ . 1 . 2]" 1
2556 1 38 LEU HB3 1 43 LEU QD 2.940 . 2.940 2.138 2.028 2.211 . 0 0 "[ . 1 . 2]" 1
2557 1 39 SER H 1 39 SER QB 3.460 . 3.460 2.667 2.415 3.026 . 0 0 "[ . 1 . 2]" 1
2558 1 39 SER QB 1 40 GLN HB3 5.020 . 5.020 4.625 4.369 5.095 0.075 5 0 "[ . 1 . 2]" 1
2559 1 39 SER QB 1 41 ASP H 4.060 . 4.060 2.735 2.300 3.092 . 0 0 "[ . 1 . 2]" 1
2560 1 39 SER QB 1 42 GLU H 4.400 . 4.400 2.630 2.201 3.199 . 0 0 "[ . 1 . 2]" 1
2561 1 40 GLN H 1 40 GLN QG 3.780 . 3.780 3.730 3.608 3.878 0.098 10 0 "[ . 1 . 2]" 1
2562 1 40 GLN H 1 57 TYR QB 4.770 . 4.770 4.339 4.060 4.583 . 0 0 "[ . 1 . 2]" 1
2563 1 40 GLN HA 1 43 LEU QD 3.990 . 3.990 2.366 2.160 2.559 . 0 0 "[ . 1 . 2]" 1
2564 1 40 GLN HB2 1 57 TYR QB 4.460 . 4.460 3.861 3.426 4.294 . 0 0 "[ . 1 . 2]" 1
2565 1 40 GLN HB3 1 41 ASP QB 5.340 . 5.340 4.116 3.755 4.779 . 0 0 "[ . 1 . 2]" 1
2566 1 40 GLN HE21 1 40 GLN QG 3.020 . 3.020 2.165 2.138 2.195 . 0 0 "[ . 1 . 2]" 1
2567 1 40 GLN HE22 1 40 GLN QG 3.400 . 3.400 3.217 3.209 3.223 . 0 0 "[ . 1 . 2]" 1
2568 1 40 GLN QG 1 41 ASP H 5.270 . 5.270 4.479 4.321 4.579 . 0 0 "[ . 1 . 2]" 1
2569 1 40 GLN QG 1 54 LYS HA 3.670 . 3.670 2.881 2.607 3.161 . 0 0 "[ . 1 . 2]" 1
2570 1 40 GLN QG 1 57 TYR H 4.690 . 4.690 4.493 4.135 4.751 0.061 6 0 "[ . 1 . 2]" 1
2571 1 40 GLN QG 1 57 TYR QB 4.060 . 4.060 2.537 2.384 2.705 . 0 0 "[ . 1 . 2]" 1
2572 1 41 ASP H 1 41 ASP QB 3.100 . 3.100 2.331 2.188 2.859 . 0 0 "[ . 1 . 2]" 1
2573 1 41 ASP QB 1 42 GLU H 3.320 . 3.320 2.575 2.328 2.915 . 0 0 "[ . 1 . 2]" 1
2574 1 41 ASP QB 1 42 GLU HA 4.050 . 4.050 4.018 3.783 4.134 0.084 1 0 "[ . 1 . 2]" 1
2575 1 41 ASP QB 1 43 LEU H 5.040 . 5.040 4.748 4.564 4.910 . 0 0 "[ . 1 . 2]" 1
2576 1 42 GLU H 1 43 LEU QD 3.850 . 3.850 3.863 3.664 3.914 0.064 10 0 "[ . 1 . 2]" 1
2577 1 42 GLU HA 1 42 GLU QG 3.320 . 3.320 2.614 2.193 2.959 . 0 0 "[ . 1 . 2]" 1
2578 1 42 GLU HB2 1 43 LEU QD 3.270 . 3.270 3.283 3.076 3.444 0.174 8 0 "[ . 1 . 2]" 1
2579 1 42 GLU HB2 1 45 SER QB 5.340 . 5.340 5.343 5.223 5.416 0.076 2 0 "[ . 1 . 2]" 1
2580 1 42 GLU QG 1 46 ILE MD 4.530 . 4.530 3.235 2.642 3.962 . 0 0 "[ . 1 . 2]" 1
2581 1 43 LEU H 1 43 LEU QD 3.460 . 3.460 2.267 2.161 2.382 . 0 0 "[ . 1 . 2]" 1
2582 1 43 LEU H 1 47 LEU QD 5.030 . 5.030 5.001 4.868 5.091 0.061 4 0 "[ . 1 . 2]" 1
2583 1 43 LEU HA 1 43 LEU QD 2.700 . 2.700 1.773 1.756 1.791 . 0 0 "[ . 1 . 2]" 1
2584 1 43 LEU HB3 1 43 LEU QD 3.130 . 3.130 2.509 2.464 2.539 . 0 0 "[ . 1 . 2]" 1
2585 1 43 LEU HB3 1 47 LEU QD 4.770 . 4.770 2.443 2.077 2.552 . 0 0 "[ . 1 . 2]" 1
2586 1 43 LEU HG 1 57 TYR QB 4.000 . 4.000 3.081 2.852 3.207 . 0 0 "[ . 1 . 2]" 1
2587 1 43 LEU QD 1 44 THR H 5.440 . 5.440 3.921 3.891 3.960 . 0 0 "[ . 1 . 2]" 1
2588 1 43 LEU QD 1 47 LEU H 5.440 . 5.440 3.884 3.787 4.005 . 0 0 "[ . 1 . 2]" 1
2589 1 43 LEU QD 1 53 ALA MB 4.310 . 4.310 3.431 3.336 3.538 . 0 0 "[ . 1 . 2]" 1
2590 1 43 LEU QD 1 57 TYR HA 4.630 . 4.630 3.108 2.859 3.511 . 0 0 "[ . 1 . 2]" 1
2591 1 44 THR H 1 47 LEU QD 4.600 . 4.600 4.633 4.599 4.676 0.076 13 0 "[ . 1 . 2]" 1
2592 1 45 SER H 1 45 SER QB 2.990 . 2.990 2.488 2.423 2.775 . 0 0 "[ . 1 . 2]" 1
2593 1 45 SER QB 1 46 ILE H 3.070 . 3.070 2.853 2.443 2.995 . 0 0 "[ . 1 . 2]" 1
2594 1 45 SER QB 1 46 ILE HA 4.720 . 4.720 4.031 3.890 4.096 . 0 0 "[ . 1 . 2]" 1
2595 1 45 SER QB 1 46 ILE HG13 3.980 . 3.980 2.758 2.542 2.836 . 0 0 "[ . 1 . 2]" 1
2596 1 45 SER QB 1 47 LEU H 5.340 . 5.340 4.968 4.739 5.051 . 0 0 "[ . 1 . 2]" 1
2597 1 47 LEU H 1 47 LEU QB 3.510 . 3.510 2.473 2.414 2.523 . 0 0 "[ . 1 . 2]" 1
2598 1 47 LEU HA 1 47 LEU QD 2.830 . 2.830 2.063 2.010 2.133 . 0 0 "[ . 1 . 2]" 1
2599 1 47 LEU QB 1 47 LEU QD 2.690 . 2.690 1.959 1.920 1.975 . 0 0 "[ . 1 . 2]" 1
2600 1 47 LEU QB 1 49 ASN H 2.970 . 2.970 2.514 2.414 2.648 . 0 0 "[ . 1 . 2]" 1
2601 1 47 LEU QB 1 52 ASN H 5.340 . 5.340 4.774 4.630 4.894 . 0 0 "[ . 1 . 2]" 1
2602 1 47 LEU QB 1 53 ALA H 4.990 . 4.990 3.760 3.671 3.887 . 0 0 "[ . 1 . 2]" 1
2603 1 47 LEU QD 1 48 GLY H 4.330 . 4.330 4.098 4.042 4.173 . 0 0 "[ . 1 . 2]" 1
2604 1 47 LEU QD 1 49 ASN H 4.040 . 4.040 4.027 3.908 4.091 0.051 19 0 "[ . 1 . 2]" 1
2605 1 47 LEU QD 1 52 ASN H 4.520 . 4.520 4.449 4.374 4.546 0.026 7 0 "[ . 1 . 2]" 1
2606 1 47 LEU QD 1 52 ASN HA 4.110 . 4.110 3.833 3.734 3.989 . 0 0 "[ . 1 . 2]" 1
2607 1 47 LEU QD 1 52 ASN HB2 3.580 . 3.580 3.228 3.116 3.408 . 0 0 "[ . 1 . 2]" 1
2608 1 47 LEU QD 1 52 ASN HB3 3.340 . 3.340 2.117 2.023 2.257 . 0 0 "[ . 1 . 2]" 1
2609 1 47 LEU QD 1 53 ALA H 3.500 . 3.500 2.983 2.856 3.139 . 0 0 "[ . 1 . 2]" 1
2610 1 47 LEU QD 1 53 ALA HA 3.040 . 3.040 1.928 1.864 2.070 . 0 0 "[ . 1 . 2]" 1
2611 1 47 LEU QD 1 53 ALA MB 3.230 . 3.230 2.682 2.535 2.917 . 0 0 "[ . 1 . 2]" 1
2612 1 47 LEU QD 1 54 LYS H 5.010 . 5.010 4.581 4.477 4.672 . 0 0 "[ . 1 . 2]" 1
2613 1 47 LEU QD 1 55 GLN H 5.430 . 5.430 5.040 4.753 5.176 . 0 0 "[ . 1 . 2]" 1
2614 1 47 LEU QD 1 56 LEU H 4.690 . 4.690 3.881 3.658 4.070 . 0 0 "[ . 1 . 2]" 1
2615 1 54 LYS HA 1 57 TYR QB 3.820 . 3.820 2.787 2.592 3.050 . 0 0 "[ . 1 . 2]" 1
2616 1 56 LEU HB3 1 57 TYR QB 4.620 . 4.620 3.955 3.869 4.055 . 0 0 "[ . 1 . 2]" 1
2617 1 57 TYR H 1 57 TYR QB 3.230 . 3.230 2.241 2.202 2.271 . 0 0 "[ . 1 . 2]" 1
2618 1 57 TYR QB 1 58 ASP H 3.410 . 3.410 2.765 2.639 2.876 . 0 0 "[ . 1 . 2]" 1
2619 1 57 TYR QB 1 60 ILE MD 4.120 . 4.120 3.674 3.463 3.879 . 0 0 "[ . 1 . 2]" 1
2620 1 58 ASP HA 1 61 HIS QB 4.780 . 4.780 3.222 2.694 4.570 . 0 0 "[ . 1 . 2]" 1
2621 1 59 PHE QE 2 6 GLY QA 4.560 . 4.560 2.714 2.480 3.187 . 0 0 "[ . 1 . 2]" 1
2622 1 59 PHE QE 2 7 PRO QD 3.810 . 3.810 3.426 3.129 3.663 . 0 0 "[ . 1 . 2]" 1
2623 1 61 HIS H 1 61 HIS QB 3.350 . 3.350 2.405 2.250 2.704 . 0 0 "[ . 1 . 2]" 1
2624 1 61 HIS HA 2 31 ASN QD 3.680 . 3.680 2.885 2.695 3.111 . 0 0 "[ . 1 . 2]" 1
2625 1 61 HIS QB 2 31 ASN QD 5.180 . 5.180 3.875 3.267 4.677 . 0 0 "[ . 1 . 2]" 1
2626 1 62 THR H 2 31 ASN QD 4.320 . 4.320 4.280 4.019 4.407 0.087 12 0 "[ . 1 . 2]" 1
2627 1 62 THR MG 2 7 PRO QD 3.670 . 3.670 2.555 2.239 2.842 . 0 0 "[ . 1 . 2]" 1
2628 1 62 THR MG 2 31 ASN QD 5.320 . 5.320 5.014 4.808 5.228 . 0 0 "[ . 1 . 2]" 1
2629 1 63 SER H 1 63 SER QB 3.050 . 3.050 2.675 2.419 2.884 . 0 0 "[ . 1 . 2]" 1
2630 1 63 SER HA 2 31 ASN QD 4.320 . 4.320 2.295 1.970 2.708 . 0 0 "[ . 1 . 2]" 1
2631 1 63 SER QB 1 64 PHE H 3.350 . 3.350 2.928 2.705 3.165 . 0 0 "[ . 1 . 2]" 1
2632 1 63 SER QB 1 65 ALA H 3.580 . 3.580 2.964 2.517 3.399 . 0 0 "[ . 1 . 2]" 1
2633 1 63 SER QB 2 31 ASN QD 3.950 . 3.950 3.377 2.812 3.917 . 0 0 "[ . 1 . 2]" 1
2634 1 64 PHE H 1 64 PHE QB 3.210 . 3.210 2.589 2.496 2.720 . 0 0 "[ . 1 . 2]" 1
2635 1 64 PHE QB 1 65 ALA H 3.430 . 3.430 2.526 2.284 2.806 . 0 0 "[ . 1 . 2]" 1
2636 1 64 PHE QB 1 65 ALA HA 4.890 . 4.890 4.240 4.092 4.385 . 0 0 "[ . 1 . 2]" 1
2637 1 64 PHE QB 1 65 ALA MB 3.850 . 3.850 3.277 3.193 3.372 . 0 0 "[ . 1 . 2]" 1
2638 1 64 PHE QB 2 7 PRO HB2 5.340 . 5.340 4.358 4.226 4.490 . 0 0 "[ . 1 . 2]" 1
2639 1 64 PHE QB 2 8 GLN HA 4.720 . 4.720 3.567 3.149 4.011 . 0 0 "[ . 1 . 2]" 1
2640 1 64 PHE QB 2 8 GLN HB2 4.740 . 4.740 2.742 2.288 3.168 . 0 0 "[ . 1 . 2]" 1
2641 1 64 PHE QB 2 26 MET ME 3.690 . 3.690 3.067 2.816 3.514 . 0 0 "[ . 1 . 2]" 1
2642 1 64 PHE QD 2 11 LEU QD 4.480 . 4.480 3.020 2.888 3.146 . 0 0 "[ . 1 . 2]" 1
2643 1 64 PHE QD 2 29 VAL QG 4.890 . 4.890 3.836 3.712 3.921 . 0 0 "[ . 1 . 2]" 1
2644 1 64 PHE QE 2 11 LEU QD 4.240 . 4.240 2.045 1.951 2.229 . 0 0 "[ . 1 . 2]" 1
2645 1 64 PHE HZ 2 11 LEU QD 3.910 . 3.910 2.293 2.072 2.528 . 0 0 "[ . 1 . 2]" 1
2646 1 65 ALA HA 1 66 GLU QB 4.690 . 4.690 4.291 3.874 4.767 0.077 9 0 "[ . 1 . 2]" 1
2647 1 65 ALA MB 1 66 GLU QB 4.120 . 4.120 4.180 3.746 4.435 0.315 15 0 "[ . 1 . 2]" 1
2648 1 65 ALA MB 2 2 LYS QB 3.570 . 3.570 2.898 2.301 3.605 0.035 16 0 "[ . 1 . 2]" 1
2649 1 66 GLU H 1 66 GLU QB 2.970 . 2.970 2.369 2.109 2.764 . 0 0 "[ . 1 . 2]" 1
2650 1 66 GLU H 1 66 GLU QG 4.270 . 4.270 3.039 1.975 4.113 . 0 0 "[ . 1 . 2]" 1
2651 1 66 GLU H 2 2 LYS QB 3.910 . 3.910 2.850 1.965 3.810 . 0 0 "[ . 1 . 2]" 1
2652 1 66 GLU HA 1 66 GLU QG 3.240 . 3.240 2.432 2.216 3.319 0.079 19 0 "[ . 1 . 2]" 1
2653 1 66 GLU QB 1 66 GLU QG 2.290 . 2.290 2.060 2.016 2.087 . 0 0 "[ . 1 . 2]" 1
2654 2 2 LYS QB 2 3 TYR HA 4.500 . 4.500 4.004 3.667 4.308 . 0 0 "[ . 1 . 2]" 1
2655 2 2 LYS QB 2 3 TYR QD 4.590 . 4.590 4.584 4.245 4.737 0.147 18 0 "[ . 1 . 2]" 1
2656 2 2 LYS QB 2 4 ASN H 4.530 . 4.530 4.200 3.282 4.667 0.137 19 0 "[ . 1 . 2]" 1
2657 2 4 ASN H 2 4 ASN QB 3.040 . 3.040 2.446 2.266 2.637 . 0 0 "[ . 1 . 2]" 1
2658 2 4 ASN QB 2 5 PRO HA 4.890 . 4.890 4.715 4.592 4.857 . 0 0 "[ . 1 . 2]" 1
2659 2 4 ASN QB 2 5 PRO HG2 5.340 . 5.340 3.932 3.659 4.421 . 0 0 "[ . 1 . 2]" 1
2660 2 4 ASN QB 2 5 PRO HD2 3.690 . 3.690 2.288 1.855 2.858 . 0 0 "[ . 1 . 2]" 1
2661 2 4 ASN QB 2 5 PRO HD3 4.370 . 4.370 3.584 3.238 3.970 . 0 0 "[ . 1 . 2]" 1
2662 2 4 ASN QB 2 6 GLY H 3.930 . 3.930 2.781 2.372 3.285 . 0 0 "[ . 1 . 2]" 1
2663 2 4 ASN QB 2 8 GLN H 5.340 . 5.340 4.735 3.913 5.481 0.141 18 0 "[ . 1 . 2]" 1
2664 2 5 PRO HG2 2 6 GLY QA 4.400 . 4.400 4.202 4.035 4.403 0.003 10 0 "[ . 1 . 2]" 1
2665 2 6 GLY H 2 7 PRO QD 3.870 . 3.870 2.456 2.195 2.750 . 0 0 "[ . 1 . 2]" 1
2666 2 6 GLY QA 2 7 PRO QD 3.150 . 3.150 2.082 1.992 2.158 . 0 0 "[ . 1 . 2]" 1
2667 2 6 GLY QA 2 9 ASP H 5.030 . 5.030 3.975 3.768 4.085 . 0 0 "[ . 1 . 2]" 1
2668 2 6 GLY QA 2 10 PHE HB2 5.210 . 5.210 4.732 4.349 5.065 . 0 0 "[ . 1 . 2]" 1
2669 2 6 GLY QA 2 10 PHE QD 4.840 . 4.840 4.230 3.683 4.719 . 0 0 "[ . 1 . 2]" 1
2670 2 7 PRO QD 2 8 GLN H 4.090 . 4.090 2.714 2.636 2.798 . 0 0 "[ . 1 . 2]" 1
2671 2 8 GLN HA 2 11 LEU QD 3.580 . 3.580 2.465 2.253 2.698 . 0 0 "[ . 1 . 2]" 1
2672 2 8 GLN HG2 2 11 LEU QD 4.810 . 4.810 3.143 2.755 3.471 . 0 0 "[ . 1 . 2]" 1
2673 2 8 GLN HE21 2 22 CYS QB 5.340 . 5.340 5.243 4.924 5.357 0.017 19 0 "[ . 1 . 2]" 1
2674 2 10 PHE H 2 11 LEU QD 4.960 . 4.960 4.501 4.402 4.574 . 0 0 "[ . 1 . 2]" 1
2675 2 10 PHE HA 2 13 LYS QE 5.340 . 5.340 4.813 3.482 5.364 0.024 19 0 "[ . 1 . 2]" 1
2676 2 11 LEU H 2 11 LEU QD 3.550 . 3.550 2.917 2.816 3.018 . 0 0 "[ . 1 . 2]" 1
2677 2 11 LEU H 2 17 VAL QG 5.440 . 5.440 4.686 4.589 4.763 . 0 0 "[ . 1 . 2]" 1
2678 2 11 LEU HA 2 11 LEU QD 2.980 . 2.980 2.184 2.058 2.320 . 0 0 "[ . 1 . 2]" 1
2679 2 11 LEU HA 2 17 VAL QG 4.030 . 4.030 3.295 3.088 3.696 . 0 0 "[ . 1 . 2]" 1
2680 2 11 LEU HB2 2 22 CYS QB 5.040 . 5.040 4.264 4.051 4.390 . 0 0 "[ . 1 . 2]" 1
2681 2 11 LEU HB3 2 17 VAL QG 3.820 . 3.820 2.449 2.159 2.960 . 0 0 "[ . 1 . 2]" 1
2682 2 11 LEU QD 2 12 LEU H 4.610 . 4.610 3.874 3.743 3.961 . 0 0 "[ . 1 . 2]" 1
2683 2 11 LEU QD 2 12 LEU HG 4.260 . 4.260 3.921 3.732 4.047 . 0 0 "[ . 1 . 2]" 1
2684 2 11 LEU QD 2 12 LEU MD2 4.040 . 4.040 3.962 3.708 4.085 0.045 2 0 "[ . 1 . 2]" 1
2685 2 11 LEU QD 2 22 CYS QB 4.120 . 4.120 3.862 3.770 3.978 . 0 0 "[ . 1 . 2]" 1
2686 2 11 LEU QD 2 25 LEU HB3 3.670 . 3.670 2.662 2.340 3.160 . 0 0 "[ . 1 . 2]" 1
2687 2 11 LEU QD 2 25 LEU HG 3.810 . 3.810 2.433 2.246 2.554 . 0 0 "[ . 1 . 2]" 1
2688 2 11 LEU QD 2 25 LEU MD2 3.240 . 3.240 1.886 1.788 2.025 . 0 0 "[ . 1 . 2]" 1
2689 2 11 LEU QD 2 26 MET H 4.620 . 4.620 3.122 2.922 3.311 . 0 0 "[ . 1 . 2]" 1
2690 2 11 LEU QD 2 26 MET HA 4.270 . 4.270 3.085 2.887 3.362 . 0 0 "[ . 1 . 2]" 1
2691 2 11 LEU QD 2 26 MET HG2 4.240 . 4.240 3.588 3.423 3.764 . 0 0 "[ . 1 . 2]" 1
2692 2 11 LEU QD 2 26 MET ME 3.360 . 3.360 2.022 1.939 2.174 . 0 0 "[ . 1 . 2]" 1
2693 2 11 LEU QD 2 35 LEU HB2 4.830 . 4.830 2.941 2.780 3.055 . 0 0 "[ . 1 . 2]" 1
2694 2 12 LEU H 2 17 VAL QG 4.390 . 4.390 3.581 3.281 3.755 . 0 0 "[ . 1 . 2]" 1
2695 2 12 LEU HB3 2 22 CYS QB 5.340 . 5.340 5.054 4.878 5.227 . 0 0 "[ . 1 . 2]" 1
2696 2 12 LEU HG 2 22 CYS QB 4.700 . 4.700 3.861 3.714 4.017 . 0 0 "[ . 1 . 2]" 1
2697 2 13 LYS H 2 13 LYS QE 4.610 . 4.610 3.983 3.236 4.757 0.147 4 0 "[ . 1 . 2]" 1
2698 2 13 LYS HA 2 13 LYS QE 4.040 . 4.040 2.691 1.832 4.102 0.062 13 0 "[ . 1 . 2]" 1
2699 2 13 LYS QE 2 13 LYS HG2 2.950 . 2.950 2.320 2.099 2.715 . 0 0 "[ . 1 . 2]" 1
2700 2 13 LYS QE 2 13 LYS HG3 3.520 . 3.520 3.136 2.253 3.544 0.024 16 0 "[ . 1 . 2]" 1
2701 2 14 MET H 2 56 LEU QD 4.600 . 4.600 4.420 4.303 4.556 . 0 0 "[ . 1 . 2]" 1
2702 2 14 MET HA 2 56 LEU QD 4.620 . 4.620 4.227 4.128 4.307 . 0 0 "[ . 1 . 2]" 1
2703 2 14 MET HB2 2 17 VAL QG 3.490 . 3.490 2.084 1.954 2.282 . 0 0 "[ . 1 . 2]" 1
2704 2 14 MET HB2 2 56 LEU QD 4.130 . 4.130 2.581 2.439 2.739 . 0 0 "[ . 1 . 2]" 1
2705 2 14 MET HG3 2 56 LEU QD 3.470 . 3.470 2.096 2.009 2.205 . 0 0 "[ . 1 . 2]" 1
2706 2 15 PRO HD2 2 17 VAL QG 4.850 . 4.850 4.481 4.356 4.667 . 0 0 "[ . 1 . 2]" 1
2707 2 15 PRO HD2 2 56 LEU QD 3.880 . 3.880 3.645 3.372 3.809 . 0 0 "[ . 1 . 2]" 1
2708 2 16 GLY H 2 17 VAL QG 4.620 . 4.620 2.977 2.798 3.265 . 0 0 "[ . 1 . 2]" 1
2709 2 16 GLY HA2 2 17 VAL QG 4.780 . 4.780 4.154 4.074 4.303 . 0 0 "[ . 1 . 2]" 1
2710 2 17 VAL H 2 56 LEU QD 4.760 . 4.760 4.579 4.434 4.727 . 0 0 "[ . 1 . 2]" 1
2711 2 17 VAL HA 2 21 ASN QB 5.340 . 5.340 4.527 2.982 4.870 . 0 0 "[ . 1 . 2]" 1
2712 2 17 VAL HA 2 21 ASN QD 3.580 . 3.580 2.155 1.827 2.970 . 0 0 "[ . 1 . 2]" 1
2713 2 17 VAL HB 2 56 LEU QD 4.010 . 4.010 3.621 2.776 4.011 0.001 9 0 "[ . 1 . 2]" 1
2714 2 17 VAL QG 2 18 ASN HA 5.440 . 5.440 3.310 3.027 3.457 . 0 0 "[ . 1 . 2]" 1
2715 2 17 VAL QG 2 18 ASN HD21 4.970 . 4.970 4.284 4.177 4.412 . 0 0 "[ . 1 . 2]" 1
2716 2 17 VAL QG 2 18 ASN HD22 4.650 . 4.650 4.679 4.625 4.722 0.072 9 0 "[ . 1 . 2]" 1
2717 2 17 VAL QG 2 21 ASN H 5.180 . 5.180 4.237 4.029 4.391 . 0 0 "[ . 1 . 2]" 1
2718 2 17 VAL QG 2 21 ASN QD 3.890 . 3.890 2.988 2.694 3.330 . 0 0 "[ . 1 . 2]" 1
2719 2 17 VAL QG 2 22 CYS H 4.430 . 4.430 3.648 3.236 3.918 . 0 0 "[ . 1 . 2]" 1
2720 2 17 VAL QG 2 22 CYS HA 4.470 . 4.470 2.980 2.812 3.317 . 0 0 "[ . 1 . 2]" 1
2721 2 17 VAL QG 2 56 LEU QD 3.220 . 3.220 2.105 1.701 3.106 . 0 0 "[ . 1 . 2]" 1
2722 2 18 ASN H 2 21 ASN QB 5.130 . 5.130 4.122 2.285 4.441 . 0 0 "[ . 1 . 2]" 1
2723 2 18 ASN H 2 22 CYS QB 4.530 . 4.530 3.826 3.563 4.039 . 0 0 "[ . 1 . 2]" 1
2724 2 18 ASN HA 2 22 CYS QB 5.050 . 5.050 4.507 4.255 4.817 . 0 0 "[ . 1 . 2]" 1
2725 2 18 ASN HB2 2 20 LYS QD 3.490 . 3.490 2.866 2.658 3.092 . 0 0 "[ . 1 . 2]" 1
2726 2 18 ASN HB3 2 20 LYS QD 3.610 . 3.610 3.688 3.622 3.796 0.186 8 0 "[ . 1 . 2]" 1
2727 2 18 ASN HD21 2 22 CYS QB 5.340 . 5.340 5.339 5.150 5.508 0.168 11 0 "[ . 1 . 2]" 1
2728 2 18 ASN HD22 2 21 ASN QD 4.050 . 4.050 2.839 2.294 3.250 . 0 0 "[ . 1 . 2]" 1
2729 2 19 ALA MB 2 22 CYS QB 4.410 . 4.410 3.567 3.419 3.794 . 0 0 "[ . 1 . 2]" 1
2730 2 20 LYS H 2 20 LYS QD 3.660 . 3.660 3.352 2.728 3.709 0.049 12 0 "[ . 1 . 2]" 1
2731 2 20 LYS H 2 20 LYS QE 5.040 . 5.040 3.497 2.110 4.587 . 0 0 "[ . 1 . 2]" 1
2732 2 20 LYS H 2 22 CYS QB 4.310 . 4.310 4.305 4.201 4.376 0.066 15 0 "[ . 1 . 2]" 1
2733 2 20 LYS HA 2 20 LYS QE 5.250 . 5.250 4.212 3.483 5.358 0.108 6 0 "[ . 1 . 2]" 1
2734 2 20 LYS HB2 2 20 LYS QE 4.350 . 4.350 3.078 2.164 3.689 . 0 0 "[ . 1 . 2]" 1
2735 2 20 LYS HB3 2 20 LYS QD 2.390 . 2.390 2.336 1.988 2.621 0.231 12 0 "[ . 1 . 2]" 1
2736 2 20 LYS HB3 2 20 LYS QE 4.640 . 4.640 2.541 1.876 3.788 . 0 0 "[ . 1 . 2]" 1
2737 2 20 LYS QD 2 20 LYS HG2 2.540 . 2.540 2.267 2.137 2.383 . 0 0 "[ . 1 . 2]" 1
2738 2 20 LYS QE 2 20 LYS HG3 3.160 . 3.160 2.809 2.170 3.328 0.168 1 0 "[ . 1 . 2]" 1
2739 2 20 LYS HG3 2 21 ASN QB 4.390 . 4.390 3.477 3.067 4.357 . 0 0 "[ . 1 . 2]" 1
2740 2 21 ASN H 2 21 ASN QB 3.460 . 3.460 2.788 2.553 2.906 . 0 0 "[ . 1 . 2]" 1
2741 2 21 ASN H 2 21 ASN QD 4.360 . 4.360 3.937 3.670 4.278 . 0 0 "[ . 1 . 2]" 1
2742 2 21 ASN HA 2 22 CYS QB 5.340 . 5.340 5.020 4.962 5.082 . 0 0 "[ . 1 . 2]" 1
2743 2 21 ASN QB 2 46 ILE MG 4.880 . 4.880 4.222 3.895 4.678 . 0 0 "[ . 1 . 2]" 1
2744 2 21 ASN QB 2 47 LEU H 5.210 . 5.210 4.636 4.436 4.939 . 0 0 "[ . 1 . 2]" 1
2745 2 21 ASN QB 2 47 LEU HA 4.360 . 4.360 2.179 1.968 2.591 . 0 0 "[ . 1 . 2]" 1
2746 2 21 ASN QB 2 47 LEU MD2 3.190 . 3.190 2.119 1.815 2.592 . 0 0 "[ . 1 . 2]" 1
2747 2 21 ASN QD 2 47 LEU HA 4.500 . 4.500 3.208 2.785 3.569 . 0 0 "[ . 1 . 2]" 1
2748 2 21 ASN QD 2 47 LEU QB 3.920 . 3.920 1.978 1.707 2.188 . 0 0 "[ . 1 . 2]" 1
2749 2 21 ASN QD 2 47 LEU MD2 3.390 . 3.390 1.841 1.663 2.373 . 0 0 "[ . 1 . 2]" 1
2750 2 21 ASN QD 2 52 ASN HB3 4.110 . 4.110 2.508 2.304 2.802 . 0 0 "[ . 1 . 2]" 1
2751 2 22 CYS H 2 22 CYS QB 3.040 . 3.040 2.215 2.095 2.254 . 0 0 "[ . 1 . 2]" 1
2752 2 22 CYS H 2 23 ARG QG 4.420 . 4.420 3.846 3.532 4.121 . 0 0 "[ . 1 . 2]" 1
2753 2 22 CYS QB 2 23 ARG H 3.630 . 3.630 2.553 2.431 2.691 . 0 0 "[ . 1 . 2]" 1
2754 2 22 CYS QB 2 23 ARG QG 5.180 . 5.180 4.192 3.972 4.532 . 0 0 "[ . 1 . 2]" 1
2755 2 22 CYS QB 2 25 LEU HB3 5.340 . 5.340 4.596 4.389 4.855 . 0 0 "[ . 1 . 2]" 1
2756 2 22 CYS QB 2 26 MET HG2 5.340 . 5.340 4.713 4.530 4.861 . 0 0 "[ . 1 . 2]" 1
2757 2 22 CYS QB 2 26 MET ME 3.940 . 3.940 3.230 3.021 3.523 . 0 0 "[ . 1 . 2]" 1
2758 2 23 ARG H 2 23 ARG QB 2.940 . 2.940 2.588 2.435 2.694 . 0 0 "[ . 1 . 2]" 1
2759 2 23 ARG H 2 23 ARG QG 2.910 . 2.910 2.105 1.787 2.457 . 0 0 "[ . 1 . 2]" 1
2760 2 23 ARG H 2 23 ARG QD 4.300 . 4.300 3.965 3.673 4.294 . 0 0 "[ . 1 . 2]" 1
2761 2 23 ARG HA 2 23 ARG QG 3.410 . 3.410 3.377 3.333 3.426 0.016 10 0 "[ . 1 . 2]" 1
2762 2 23 ARG HA 2 23 ARG QD 4.040 . 4.040 4.048 3.925 4.164 0.124 18 0 "[ . 1 . 2]" 1
2763 2 23 ARG QB 2 23 ARG QD 2.850 . 2.850 2.325 2.038 2.726 . 0 0 "[ . 1 . 2]" 1
2764 2 23 ARG QB 2 24 SER H 3.680 . 3.680 3.397 3.237 3.529 . 0 0 "[ . 1 . 2]" 1
2765 2 23 ARG QD 2 23 ARG QG 2.370 . 2.370 2.043 1.947 2.101 . 0 0 "[ . 1 . 2]" 1
2766 2 23 ARG QG 2 24 SER H 3.320 . 3.320 2.056 1.732 2.271 . 0 0 "[ . 1 . 2]" 1
2767 2 23 ARG QG 2 24 SER HB2 3.910 . 3.910 3.656 2.993 3.947 0.037 10 0 "[ . 1 . 2]" 1
2768 2 23 ARG QD 2 24 SER H 4.090 . 4.090 2.778 2.097 3.627 . 0 0 "[ . 1 . 2]" 1
2769 2 23 ARG QD 2 24 SER HA 4.020 . 4.020 3.099 2.653 3.670 . 0 0 "[ . 1 . 2]" 1
2770 2 23 ARG QD 2 24 SER HB2 4.140 . 4.140 3.660 2.497 4.222 0.082 6 0 "[ . 1 . 2]" 1
2771 2 24 SER HA 2 27 HIS QB 3.580 . 3.580 2.489 2.213 2.755 . 0 0 "[ . 1 . 2]" 1
2772 2 24 SER HB2 2 27 HIS QB 5.340 . 5.340 5.131 4.688 5.334 . 0 0 "[ . 1 . 2]" 1
2773 2 24 SER HB3 2 27 HIS QB 5.340 . 5.340 4.637 4.407 5.190 . 0 0 "[ . 1 . 2]" 1
2774 2 25 LEU H 2 29 VAL QG 5.440 . 5.440 5.151 5.032 5.312 . 0 0 "[ . 1 . 2]" 1
2775 2 26 MET H 2 27 HIS QB 4.520 . 4.520 4.417 4.303 4.550 0.030 5 0 "[ . 1 . 2]" 1
2776 2 26 MET HB2 2 27 HIS QB 5.340 . 5.340 5.334 5.239 5.390 0.050 4 0 "[ . 1 . 2]" 1
2777 2 26 MET HG2 2 27 HIS QB 4.630 . 4.630 4.310 4.116 4.540 . 0 0 "[ . 1 . 2]" 1
2778 2 27 HIS H 2 27 HIS QB 2.750 . 2.750 2.162 2.105 2.208 . 0 0 "[ . 1 . 2]" 1
2779 2 27 HIS QB 2 46 ILE MG 4.840 . 4.840 4.664 4.474 4.782 . 0 0 "[ . 1 . 2]" 1
2780 2 28 HIS H 2 28 HIS QB 2.960 . 2.960 2.326 2.194 2.402 . 0 0 "[ . 1 . 2]" 1
2781 2 28 HIS H 2 29 VAL QG 3.590 . 3.590 3.267 3.209 3.389 . 0 0 "[ . 1 . 2]" 1
2782 2 28 HIS QB 2 29 VAL QG 3.530 . 3.530 2.577 2.454 2.782 . 0 0 "[ . 1 . 2]" 1
2783 2 28 HIS QB 2 38 LEU QD 4.420 . 4.420 3.133 2.854 3.289 . 0 0 "[ . 1 . 2]" 1
2784 2 28 HIS QB 2 46 ILE MG 3.420 . 3.420 2.121 1.969 2.280 . 0 0 "[ . 1 . 2]" 1
2785 2 28 HIS QB 2 46 ILE QG 4.570 . 4.570 2.774 2.556 2.992 . 0 0 "[ . 1 . 2]" 1
2786 2 28 HIS QB 2 46 ILE MD 3.300 . 3.300 2.602 2.345 2.928 . 0 0 "[ . 1 . 2]" 1
2787 2 29 VAL H 2 29 VAL QG 2.760 . 2.760 2.096 1.981 2.159 . 0 0 "[ . 1 . 2]" 1
2788 2 29 VAL HA 2 29 VAL QG 2.750 . 2.750 2.360 2.290 2.410 . 0 0 "[ . 1 . 2]" 1
2789 2 29 VAL HA 2 30 LYS QB 5.200 . 5.200 4.503 4.451 4.564 . 0 0 "[ . 1 . 2]" 1
2790 2 29 VAL HA 2 30 LYS QG 3.870 . 3.870 3.940 3.879 4.004 0.134 7 0 "[ . 1 . 2]" 1
2791 2 29 VAL HA 2 30 LYS QD 5.340 . 5.340 5.121 4.959 5.302 . 0 0 "[ . 1 . 2]" 1
2792 2 29 VAL QG 2 30 LYS H 3.530 . 3.530 3.269 3.075 3.364 . 0 0 "[ . 1 . 2]" 1
2793 2 29 VAL QG 2 30 LYS QG 4.290 . 4.290 3.837 3.691 3.955 . 0 0 "[ . 1 . 2]" 1
2794 2 29 VAL QG 2 31 ASN H 3.650 . 3.650 2.878 2.629 3.092 . 0 0 "[ . 1 . 2]" 1
2795 2 29 VAL QG 2 31 ASN HA 3.570 . 3.570 2.981 2.881 3.088 . 0 0 "[ . 1 . 2]" 1
2796 2 29 VAL QG 2 34 GLU H 4.630 . 4.630 3.989 3.840 4.078 . 0 0 "[ . 1 . 2]" 1
2797 2 29 VAL QG 2 34 GLU HB2 3.460 . 3.460 2.903 2.851 2.952 . 0 0 "[ . 1 . 2]" 1
2798 2 29 VAL QG 2 34 GLU HB3 3.270 . 3.270 2.247 2.094 2.415 . 0 0 "[ . 1 . 2]" 1
2799 2 29 VAL QG 2 34 GLU HG3 4.610 . 4.610 3.940 3.830 4.065 . 0 0 "[ . 1 . 2]" 1
2800 2 29 VAL QG 2 35 LEU H 3.360 . 3.360 3.003 2.845 3.098 . 0 0 "[ . 1 . 2]" 1
2801 2 29 VAL QG 2 35 LEU HA 2.780 . 2.780 2.084 1.946 2.213 . 0 0 "[ . 1 . 2]" 1
2802 2 29 VAL QG 2 35 LEU HB2 3.490 . 3.490 2.494 2.314 2.677 . 0 0 "[ . 1 . 2]" 1
2803 2 29 VAL QG 2 35 LEU HB3 3.760 . 3.760 3.648 3.450 3.776 0.016 6 0 "[ . 1 . 2]" 1
2804 2 29 VAL QG 2 37 ALA H 4.640 . 4.640 4.518 4.433 4.606 . 0 0 "[ . 1 . 2]" 1
2805 2 29 VAL QG 2 38 LEU HA 4.700 . 4.700 4.708 4.599 4.755 0.055 14 0 "[ . 1 . 2]" 1
2806 2 29 VAL QG 2 38 LEU HB2 4.290 . 4.290 4.163 4.035 4.290 0.000 20 0 "[ . 1 . 2]" 1
2807 2 29 VAL QG 2 38 LEU HB3 4.440 . 4.440 4.455 4.413 4.494 0.054 19 0 "[ . 1 . 2]" 1
2808 2 29 VAL QG 2 38 LEU HG 3.130 . 3.130 2.451 2.344 2.576 . 0 0 "[ . 1 . 2]" 1
2809 2 29 VAL QG 2 46 ILE MD 3.540 . 3.540 3.144 2.954 3.328 . 0 0 "[ . 1 . 2]" 1
2810 2 30 LYS H 2 30 LYS QB 3.110 . 3.110 2.616 2.539 2.669 . 0 0 "[ . 1 . 2]" 1
2811 2 30 LYS H 2 30 LYS QG 3.270 . 3.270 1.891 1.821 2.032 . 0 0 "[ . 1 . 2]" 1
2812 2 30 LYS H 2 30 LYS QD 3.760 . 3.760 3.389 3.228 3.548 . 0 0 "[ . 1 . 2]" 1
2813 2 30 LYS HA 2 30 LYS QG 3.430 . 3.430 3.336 3.328 3.346 . 0 0 "[ . 1 . 2]" 1
2814 2 30 LYS HA 2 31 ASN QD 3.900 . 3.900 4.021 3.986 4.149 0.249 12 0 "[ . 1 . 2]" 1
2815 2 30 LYS QB 2 30 LYS QG 2.310 . 2.310 2.073 2.067 2.083 . 0 0 "[ . 1 . 2]" 1
2816 2 30 LYS QB 2 31 ASN H 3.180 . 3.180 3.242 3.213 3.259 0.079 12 0 "[ . 1 . 2]" 1
2817 2 30 LYS QB 2 31 ASN QD 3.590 . 3.590 2.515 2.428 2.619 . 0 0 "[ . 1 . 2]" 1
2818 2 30 LYS QD 2 30 LYS QG 2.290 . 2.290 2.019 2.007 2.029 . 0 0 "[ . 1 . 2]" 1
2819 2 30 LYS QE 2 30 LYS QG 3.200 . 3.200 2.302 2.228 2.591 . 0 0 "[ . 1 . 2]" 1
2820 2 30 LYS QG 2 31 ASN H 3.760 . 3.760 1.985 1.929 2.030 . 0 0 "[ . 1 . 2]" 1
2821 2 30 LYS QG 2 31 ASN HB2 5.340 . 5.340 4.180 4.090 4.263 . 0 0 "[ . 1 . 2]" 1
2822 2 30 LYS QG 2 31 ASN QD 4.020 . 4.020 2.650 2.501 2.817 . 0 0 "[ . 1 . 2]" 1
2823 2 30 LYS QG 2 32 ILE H 4.280 . 4.280 4.273 3.950 4.332 0.052 19 0 "[ . 1 . 2]" 1
2824 2 30 LYS QG 2 33 ALA MB 3.750 . 3.750 2.448 2.286 2.641 . 0 0 "[ . 1 . 2]" 1
2825 2 30 LYS QG 2 34 GLU HG2 4.710 . 4.710 1.950 1.781 2.078 . 0 0 "[ . 1 . 2]" 1
2826 2 30 LYS QD 2 31 ASN H 3.900 . 3.900 3.902 3.836 3.953 0.053 17 0 "[ . 1 . 2]" 1
2827 2 30 LYS QD 2 33 ALA H 4.400 . 4.400 4.397 4.191 4.445 0.045 8 0 "[ . 1 . 2]" 1
2828 2 30 LYS QD 2 33 ALA HA 4.840 . 4.840 4.776 4.657 4.882 0.042 1 0 "[ . 1 . 2]" 1
2829 2 30 LYS QD 2 34 GLU HA 4.440 . 4.440 4.045 3.853 4.239 . 0 0 "[ . 1 . 2]" 1
2830 2 31 ASN HA 2 31 ASN QD 4.350 . 4.350 3.852 3.764 3.958 . 0 0 "[ . 1 . 2]" 1
2831 2 31 ASN QD 2 32 ILE H 4.650 . 4.650 4.169 4.047 4.217 . 0 0 "[ . 1 . 2]" 1
2832 2 31 ASN QD 2 33 ALA H 4.990 . 4.990 4.415 4.137 4.592 . 0 0 "[ . 1 . 2]" 1
2833 2 31 ASN QD 2 33 ALA MB 4.520 . 4.520 3.918 3.643 4.199 . 0 0 "[ . 1 . 2]" 1
2834 2 31 ASN QD 2 34 GLU H 5.340 . 5.340 5.055 4.873 5.247 . 0 0 "[ . 1 . 2]" 1
2835 2 39 SER H 2 39 SER QB 3.460 . 3.460 2.749 2.439 3.025 . 0 0 "[ . 1 . 2]" 1
2836 2 39 SER QB 2 40 GLN HB3 5.020 . 5.020 4.513 4.403 4.589 . 0 0 "[ . 1 . 2]" 1
2837 2 39 SER QB 2 41 ASP H 4.060 . 4.060 2.770 2.449 3.007 . 0 0 "[ . 1 . 2]" 1
2838 2 39 SER QB 2 42 GLU H 4.400 . 4.400 2.835 2.319 3.504 . 0 0 "[ . 1 . 2]" 1
2839 2 40 GLN H 2 40 GLN QG 3.780 . 3.780 3.755 3.677 3.821 0.041 18 0 "[ . 1 . 2]" 1
2840 2 40 GLN H 2 57 TYR QB 4.770 . 4.770 4.119 3.899 4.448 . 0 0 "[ . 1 . 2]" 1
2841 2 40 GLN HB2 2 57 TYR QB 4.460 . 4.460 3.658 3.366 3.909 . 0 0 "[ . 1 . 2]" 1
2842 2 40 GLN HB3 2 41 ASP QB 5.340 . 5.340 3.991 3.870 4.110 . 0 0 "[ . 1 . 2]" 1
2843 2 40 GLN HE21 2 40 GLN QG 3.020 . 3.020 2.168 2.143 2.188 . 0 0 "[ . 1 . 2]" 1
2844 2 40 GLN HE22 2 40 GLN QG 3.400 . 3.400 3.219 3.210 3.227 . 0 0 "[ . 1 . 2]" 1
2845 2 40 GLN QG 2 41 ASP H 5.270 . 5.270 4.470 4.372 4.520 . 0 0 "[ . 1 . 2]" 1
2846 2 40 GLN QG 2 54 LYS HA 3.670 . 3.670 2.716 2.511 2.995 . 0 0 "[ . 1 . 2]" 1
2847 2 40 GLN QG 2 57 TYR H 4.690 . 4.690 4.358 4.158 4.558 . 0 0 "[ . 1 . 2]" 1
2848 2 40 GLN QG 2 57 TYR QB 4.060 . 4.060 2.487 2.387 2.584 . 0 0 "[ . 1 . 2]" 1
2849 2 41 ASP H 2 41 ASP QB 3.100 . 3.100 2.240 2.170 2.285 . 0 0 "[ . 1 . 2]" 1
2850 2 41 ASP QB 2 42 GLU H 3.320 . 3.320 2.600 2.409 2.811 . 0 0 "[ . 1 . 2]" 1
2851 2 41 ASP QB 2 42 GLU HA 4.050 . 4.050 4.036 3.864 4.173 0.123 17 0 "[ . 1 . 2]" 1
2852 2 41 ASP QB 2 43 LEU H 5.040 . 5.040 4.742 4.623 4.813 . 0 0 "[ . 1 . 2]" 1
2853 2 42 GLU HA 2 42 GLU QG 3.320 . 3.320 2.595 2.269 2.992 . 0 0 "[ . 1 . 2]" 1
2854 2 42 GLU HB2 2 45 SER QB 5.340 . 5.340 5.376 5.354 5.422 0.082 1 0 "[ . 1 . 2]" 1
2855 2 42 GLU HB3 2 46 ILE QG 4.780 . 4.780 3.910 3.681 4.158 . 0 0 "[ . 1 . 2]" 1
2856 2 42 GLU QG 2 46 ILE MD 4.530 . 4.530 3.240 2.246 3.815 . 0 0 "[ . 1 . 2]" 1
2857 2 43 LEU HG 2 57 TYR QB 4.000 . 4.000 3.044 2.788 3.160 . 0 0 "[ . 1 . 2]" 1
2858 2 45 SER H 2 45 SER QB 2.990 . 2.990 2.476 2.381 2.597 . 0 0 "[ . 1 . 2]" 1
2859 2 45 SER QB 2 46 ILE H 3.070 . 3.070 2.813 2.574 2.981 . 0 0 "[ . 1 . 2]" 1
2860 2 45 SER QB 2 46 ILE HA 4.720 . 4.720 4.023 3.914 4.095 . 0 0 "[ . 1 . 2]" 1
2861 2 45 SER QB 2 46 ILE QG 3.900 . 3.900 2.727 2.585 2.892 . 0 0 "[ . 1 . 2]" 1
2862 2 45 SER QB 2 47 LEU H 5.340 . 5.340 5.034 4.869 5.126 . 0 0 "[ . 1 . 2]" 1
2863 2 46 ILE H 2 46 ILE QG 3.560 . 3.560 2.261 2.009 2.517 . 0 0 "[ . 1 . 2]" 1
2864 2 46 ILE QG 2 46 ILE MG 2.930 . 2.930 2.182 2.070 2.225 . 0 0 "[ . 1 . 2]" 1
2865 2 46 ILE QG 2 47 LEU H 4.450 . 4.450 3.868 3.751 4.049 . 0 0 "[ . 1 . 2]" 1
2866 2 47 LEU H 2 47 LEU QB 3.510 . 3.510 2.508 2.454 2.558 . 0 0 "[ . 1 . 2]" 1
2867 2 47 LEU QB 2 47 LEU MD1 2.940 . 2.940 2.052 2.013 2.088 . 0 0 "[ . 1 . 2]" 1
2868 2 47 LEU QB 2 47 LEU MD2 3.130 . 3.130 2.319 2.218 2.379 . 0 0 "[ . 1 . 2]" 1
2869 2 47 LEU QB 2 49 ASN H 2.970 . 2.970 2.485 2.387 2.574 . 0 0 "[ . 1 . 2]" 1
2870 2 47 LEU QB 2 52 ASN H 5.340 . 5.340 4.819 4.685 4.905 . 0 0 "[ . 1 . 2]" 1
2871 2 47 LEU QB 2 53 ALA H 4.990 . 4.990 3.818 3.700 3.897 . 0 0 "[ . 1 . 2]" 1
2872 2 54 LYS HA 2 57 TYR QB 3.820 . 3.820 2.928 2.607 3.188 . 0 0 "[ . 1 . 2]" 1
2873 2 56 LEU H 2 56 LEU QD 4.610 . 4.610 3.746 3.699 3.768 . 0 0 "[ . 1 . 2]" 1
2874 2 56 LEU HA 2 56 LEU QD 3.120 . 3.120 2.125 2.049 2.184 . 0 0 "[ . 1 . 2]" 1
2875 2 56 LEU HB2 2 56 LEU QD 2.880 . 2.880 2.121 2.071 2.144 . 0 0 "[ . 1 . 2]" 1
2876 2 56 LEU HB3 2 57 TYR QB 4.620 . 4.620 3.999 3.921 4.101 . 0 0 "[ . 1 . 2]" 1
2877 2 56 LEU QD 2 58 ASP H 5.440 . 5.440 4.807 4.692 4.885 . 0 0 "[ . 1 . 2]" 1
2878 2 56 LEU QD 2 59 PHE H 5.030 . 5.030 4.326 4.177 4.466 . 0 0 "[ . 1 . 2]" 1
2879 2 56 LEU QD 2 59 PHE HB3 4.360 . 4.360 3.333 3.117 3.627 . 0 0 "[ . 1 . 2]" 1
2880 2 56 LEU QD 2 59 PHE QD 5.150 . 5.150 4.387 4.183 4.679 . 0 0 "[ . 1 . 2]" 1
2881 2 56 LEU QD 2 60 ILE H 4.370 . 4.370 3.738 3.528 4.091 . 0 0 "[ . 1 . 2]" 1
2882 2 57 TYR H 2 57 TYR QB 3.230 . 3.230 2.270 2.234 2.299 . 0 0 "[ . 1 . 2]" 1
2883 2 57 TYR QB 2 58 ASP H 3.410 . 3.410 2.822 2.700 2.910 . 0 0 "[ . 1 . 2]" 1
2884 2 57 TYR QB 2 60 ILE MD 4.120 . 4.120 3.592 3.405 3.725 . 0 0 "[ . 1 . 2]" 1
2885 2 58 ASP HA 2 61 HIS QB 4.780 . 4.780 3.288 2.682 4.607 . 0 0 "[ . 1 . 2]" 1
2886 2 61 HIS H 2 61 HIS QB 3.350 . 3.350 2.409 2.230 2.841 . 0 0 "[ . 1 . 2]" 1
2887 2 63 SER H 2 63 SER QB 3.050 . 3.050 2.656 2.409 2.883 . 0 0 "[ . 1 . 2]" 1
2888 2 63 SER QB 2 64 PHE H 3.350 . 3.350 2.913 2.760 3.051 . 0 0 "[ . 1 . 2]" 1
2889 2 63 SER QB 2 65 ALA H 3.580 . 3.580 3.158 2.694 3.562 . 0 0 "[ . 1 . 2]" 1
2890 2 64 PHE H 2 64 PHE QB 3.210 . 3.210 2.608 2.502 2.776 . 0 0 "[ . 1 . 2]" 1
2891 2 64 PHE QB 2 65 ALA H 3.430 . 3.430 2.337 2.029 2.561 . 0 0 "[ . 1 . 2]" 1
2892 2 64 PHE QB 2 65 ALA HA 4.890 . 4.890 4.154 3.999 4.396 . 0 0 "[ . 1 . 2]" 1
2893 2 64 PHE QB 2 65 ALA MB 3.850 . 3.850 3.287 3.155 3.350 . 0 0 "[ . 1 . 2]" 1
2894 2 65 ALA HA 2 66 GLU QB 4.690 . 4.690 4.198 3.906 4.693 0.003 14 0 "[ . 1 . 2]" 1
2895 2 65 ALA MB 2 66 GLU QB 4.120 . 4.120 3.910 3.157 4.299 0.179 6 0 "[ . 1 . 2]" 1
2896 2 66 GLU H 2 66 GLU QB 2.970 . 2.970 2.637 2.216 2.977 0.007 20 0 "[ . 1 . 2]" 1
2897 2 66 GLU H 2 66 GLU QG 4.270 . 4.270 3.632 2.139 4.474 0.204 13 0 "[ . 1 . 2]" 1
2898 2 66 GLU HA 2 66 GLU QG 3.240 . 3.240 2.533 2.169 3.359 0.119 9 0 "[ . 1 . 2]" 1
2899 2 66 GLU QB 2 66 GLU QG 2.290 . 2.290 2.048 1.989 2.086 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 158
_Distance_constraint_stats_list.Viol_count 580
_Distance_constraint_stats_list.Viol_total 3145.517
_Distance_constraint_stats_list.Viol_max 2.272
_Distance_constraint_stats_list.Viol_rms 0.2605
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0498
_Distance_constraint_stats_list.Viol_average_violations_only 0.2712
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
3 1 DC 0.000 0.000 . 0 "[ . 1 . 2]"
3 2 DA 0.635 0.132 17 0 "[ . 1 . 2]"
3 3 DG 53.769 2.269 3 20 [*-+*****************]
3 4 DT 1.161 0.177 4 0 "[ . 1 . 2]"
3 5 DG 4.286 0.262 19 0 "[ . 1 . 2]"
3 6 DG 1.219 0.099 11 0 "[ . 1 . 2]"
3 7 DC 2.676 0.112 5 0 "[ . 1 . 2]"
3 8 DT 2.793 0.137 10 0 "[ . 1 . 2]"
3 9 DG 15.407 0.396 12 0 "[ . 1 . 2]"
3 10 DA 1.449 0.098 1 0 "[ . 1 . 2]"
4 1 DC 0.000 0.000 . 0 "[ . 1 . 2]"
4 2 DA 0.610 0.089 17 0 "[ . 1 . 2]"
4 3 DG 53.523 2.272 13 20 [************+*****-*]
4 4 DT 1.041 0.167 4 0 "[ . 1 . 2]"
4 5 DG 4.566 0.254 9 0 "[ . 1 . 2]"
4 6 DG 1.181 0.090 11 0 "[ . 1 . 2]"
4 7 DC 2.539 0.139 18 0 "[ . 1 . 2]"
4 8 DT 2.676 0.139 18 0 "[ . 1 . 2]"
4 9 DG 15.494 0.402 14 0 "[ . 1 . 2]"
4 10 DA 1.626 0.084 11 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 3 1 DC H1' 3 1 DC H2' 5.000 . 5.500 2.864 2.859 2.872 . 0 0 "[ . 1 . 2]" 2
2 3 1 DC H1' 3 1 DC H2'' 3.400 . 3.900 2.323 2.310 2.333 . 0 0 "[ . 1 . 2]" 2
3 3 1 DC H5 3 1 DC H6 3.400 . 3.900 2.438 2.435 2.443 . 0 0 "[ . 1 . 2]" 2
4 3 1 DC H2' 3 2 DA H8 5.000 . 5.500 3.504 3.224 3.911 . 0 0 "[ . 1 . 2]" 2
5 3 1 DC H2'' 3 2 DA H8 5.000 . 5.500 5.090 4.839 5.433 . 0 0 "[ . 1 . 2]" 2
6 3 2 DA H1' 3 2 DA H2' 5.000 . 5.500 3.057 3.051 3.061 . 0 0 "[ . 1 . 2]" 2
7 3 2 DA H1' 3 2 DA H2'' . . 3.900 2.396 2.382 2.412 . 0 0 "[ . 1 . 2]" 2
8 3 2 DA H1' 3 2 DA H8 5.000 . 5.500 3.891 3.867 3.906 . 0 0 "[ . 1 . 2]" 2
9 3 2 DA H2' 3 2 DA H8 3.400 . 3.900 2.489 2.373 2.620 . 0 0 "[ . 1 . 2]" 2
10 3 2 DA H2'' 3 2 DA H8 3.400 . 3.900 3.916 3.816 4.032 0.132 17 0 "[ . 1 . 2]" 2
11 3 2 DA H2'' 3 3 DG H8 5.000 . 5.500 4.393 3.563 5.251 . 0 0 "[ . 1 . 2]" 2
12 3 3 DG H1' 3 3 DG Q2 2.800 . 3.300 3.667 3.651 3.688 0.388 11 0 "[ . 1 . 2]" 2
13 3 3 DG H1' 3 3 DG H8 5.000 . 5.500 3.918 3.904 3.926 . 0 0 "[ . 1 . 2]" 2
14 3 3 DG Q2 3 3 DG H8 3.400 . 3.900 6.163 6.155 6.169 2.269 3 20 [*-+*****************] 2
15 3 3 DG H1' 3 4 DT M7 5.000 . 5.500 2.790 2.253 3.538 . 0 0 "[ . 1 . 2]" 2
16 3 4 DT H1' 3 4 DT H2' 3.400 . 3.900 3.063 3.059 3.065 . 0 0 "[ . 1 . 2]" 2
17 3 4 DT H1' 3 4 DT H2'' 3.400 . 3.900 2.427 2.418 2.437 . 0 0 "[ . 1 . 2]" 2
18 3 4 DT H1' 3 4 DT H6 5.000 . 5.500 3.666 3.446 3.720 . 0 0 "[ . 1 . 2]" 2
19 3 6 DG H1' 3 6 DG H8 5.000 . 5.500 3.815 3.484 3.888 . 0 0 "[ . 1 . 2]" 2
20 3 6 DG H8 3 7 DC H5 5.000 . 5.500 5.326 4.718 5.559 0.059 19 0 "[ . 1 . 2]" 2
21 3 7 DC H1' 3 7 DC H2' 5.000 . 5.500 3.055 3.052 3.058 . 0 0 "[ . 1 . 2]" 2
22 3 7 DC H1' 3 7 DC H2'' 2.800 . 3.300 2.402 2.396 2.412 . 0 0 "[ . 1 . 2]" 2
23 3 7 DC H1' 3 7 DC H6 5.000 . 5.500 3.719 3.701 3.731 . 0 0 "[ . 1 . 2]" 2
24 3 7 DC H5 3 7 DC H6 5.000 . 5.500 2.436 2.433 2.440 . 0 0 "[ . 1 . 2]" 2
25 3 7 DC H1' 3 8 DT H6 5.000 . 5.500 5.402 4.782 5.612 0.112 5 0 "[ . 1 . 2]" 2
26 3 7 DC H1' 3 8 DT M7 5.000 . 5.500 4.446 2.947 5.341 . 0 0 "[ . 1 . 2]" 2
27 3 8 DT H1' 3 8 DT H2' 5.000 . 5.500 2.807 2.799 2.813 . 0 0 "[ . 1 . 2]" 2
28 3 8 DT H1' 3 8 DT H2'' . . 3.300 2.322 2.300 2.337 . 0 0 "[ . 1 . 2]" 2
29 3 8 DT H1' 3 8 DT H6 5.000 . 5.500 3.682 3.595 3.724 . 0 0 "[ . 1 . 2]" 2
30 3 8 DT H1' 3 9 DG H8 5.000 . 5.500 3.551 2.096 5.046 . 0 0 "[ . 1 . 2]" 2
31 3 9 DG H1' 3 9 DG Q2 2.800 . 3.300 3.665 3.620 3.696 0.396 12 0 "[ . 1 . 2]" 2
32 3 9 DG H1' 3 9 DG H8 3.400 . 3.900 3.903 3.884 3.919 0.019 17 0 "[ . 1 . 2]" 2
33 3 9 DG H1' 3 10 DA H8 5.000 . 5.500 3.173 2.587 3.834 . 0 0 "[ . 1 . 2]" 2
34 3 9 DG H2' 3 10 DA H8 5.000 . 5.500 4.145 3.294 5.456 . 0 0 "[ . 1 . 2]" 2
35 3 10 DA H1' 3 10 DA H2' 2.800 . 3.300 3.053 3.051 3.056 . 0 0 "[ . 1 . 2]" 2
36 3 10 DA H1' 3 10 DA H2'' 5.000 . 5.500 2.397 2.390 2.404 . 0 0 "[ . 1 . 2]" 2
37 3 10 DA H1' 3 10 DA H8 5.000 . 5.500 3.873 3.847 3.899 . 0 0 "[ . 1 . 2]" 2
38 3 10 DA H2' 3 10 DA H8 5.000 . 5.500 2.244 2.094 2.512 . 0 0 "[ . 1 . 2]" 2
39 3 10 DA H2'' 3 10 DA H8 3.400 . 3.900 3.673 3.460 3.956 0.056 14 0 "[ . 1 . 2]" 2
40 3 8 DT H4' 3 9 DG H1' 5.000 . 5.500 5.178 3.855 5.573 0.073 14 0 "[ . 1 . 2]" 2
41 3 8 DT H1' 3 9 DG H5' 5.000 . 5.500 5.541 5.376 5.637 0.137 10 0 "[ . 1 . 2]" 2
42 3 4 DT H1' 3 4 DT H4' 3.400 . 3.900 3.345 3.326 3.362 . 0 0 "[ . 1 . 2]" 2
43 3 4 DT H1' 3 4 DT H3' 3.400 . 3.900 3.812 3.795 3.830 . 0 0 "[ . 1 . 2]" 2
44 3 2 DA H1' 3 2 DA H4' 3.400 . 3.900 3.487 3.464 3.505 . 0 0 "[ . 1 . 2]" 2
45 3 3 DG H1' 3 3 DG H4' 3.400 . 3.900 3.719 3.709 3.726 . 0 0 "[ . 1 . 2]" 2
46 3 8 DT H1' 3 8 DT H4' 3.400 . 3.900 3.310 3.297 3.321 . 0 0 "[ . 1 . 2]" 2
47 3 1 DC H1' 3 1 DC H4' 3.400 . 3.900 3.142 3.115 3.164 . 0 0 "[ . 1 . 2]" 2
48 3 10 DA H1' 3 10 DA H3' 5.000 . 5.500 3.871 3.863 3.885 . 0 0 "[ . 1 . 2]" 2
49 3 10 DA H1' 3 10 DA H4' 5.000 . 5.500 3.482 3.469 3.499 . 0 0 "[ . 1 . 2]" 2
50 3 9 DG H1' 3 10 DA H5'' 3.400 . 3.900 2.876 2.040 3.900 . 0 0 "[ . 1 . 2]" 2
51 3 8 DT H6 3 8 DT M7 5.000 . 5.500 2.320 2.248 2.411 . 0 0 "[ . 1 . 2]" 2
52 3 7 DC H2' 3 7 DC H6 3.400 . 3.900 2.351 1.969 2.564 . 0 0 "[ . 1 . 2]" 2
53 3 7 DC H2'' 3 7 DC H6 3.400 . 3.900 3.793 3.440 3.961 0.061 3 0 "[ . 1 . 2]" 2
54 3 7 DC H6 3 8 DT M7 5.000 . 5.500 3.973 3.056 5.150 . 0 0 "[ . 1 . 2]" 2
55 3 3 DG Q2 3 4 DT H6 5.000 . 5.500 4.953 4.521 5.513 0.013 13 0 "[ . 1 . 2]" 2
56 3 4 DT H2' 3 4 DT H6 3.400 . 3.900 2.070 1.823 2.704 . 0 0 "[ . 1 . 2]" 2
57 3 4 DT H2'' 3 4 DT H6 5.000 . 5.500 3.374 2.582 4.045 . 0 0 "[ . 1 . 2]" 2
58 3 2 DA H2 3 3 DG H8 5.000 . 5.500 4.662 3.918 5.268 . 0 0 "[ . 1 . 2]" 2
59 3 9 DG Q2 3 10 DA H8 5.000 . 5.500 4.697 4.073 5.505 0.005 7 0 "[ . 1 . 2]" 2
60 3 6 DG Q2 3 7 DC H5 5.000 . 5.500 4.528 3.743 5.092 . 0 0 "[ . 1 . 2]" 2
61 3 6 DG Q2 3 7 DC H6 5.000 . 5.500 5.361 4.775 5.573 0.073 5 0 "[ . 1 . 2]" 2
62 3 6 DG Q2 3 7 DC H1' 5.000 . 5.500 5.388 4.630 5.599 0.099 11 0 "[ . 1 . 2]" 2
63 3 6 DG H2'' 3 6 DG H8 3.400 . 3.900 3.592 2.808 3.993 0.093 11 0 "[ . 1 . 2]" 2
64 3 6 DG H2' 3 6 DG H8 3.400 . 3.900 2.281 1.963 2.576 . 0 0 "[ . 1 . 2]" 2
65 3 3 DG H2'' 3 4 DT H6 5.000 . 5.500 3.259 2.329 4.415 . 0 0 "[ . 1 . 2]" 2
66 3 5 DG Q2' 3 5 DG H8 3.400 . 3.900 3.764 3.714 3.821 . 0 0 "[ . 1 . 2]" 2
67 3 8 DT H1' 3 8 DT H3' 5.000 . 5.500 3.883 3.875 3.889 . 0 0 "[ . 1 . 2]" 2
68 3 7 DC H2' 3 7 DC H2'' 2.800 . 3.300 1.760 1.759 1.763 0.041 7 0 "[ . 1 . 2]" 2
69 3 8 DT H2' 3 8 DT H2'' 2.800 . 3.300 1.761 1.756 1.763 0.044 2 0 "[ . 1 . 2]" 2
70 3 10 DA H2' 3 10 DA H2'' 2.800 . 3.300 1.760 1.758 1.763 0.042 17 0 "[ . 1 . 2]" 2
71 3 7 DC H1' 3 7 DC H3' 5.000 . 5.500 3.857 3.845 3.867 . 0 0 "[ . 1 . 2]" 2
72 3 9 DG H2' 3 9 DG H3' 5.000 . 5.500 2.406 2.402 2.412 . 0 0 "[ . 1 . 2]" 2
73 3 9 DG Q2 3 10 DA H5' 5.000 . 5.500 4.850 3.716 5.458 . 0 0 "[ . 1 . 2]" 2
74 3 9 DG Q2 3 10 DA H5'' 5.000 . 5.500 4.675 4.257 5.248 . 0 0 "[ . 1 . 2]" 2
75 3 7 DC H2'' 3 8 DT H5' 5.000 . 5.500 4.373 2.256 5.589 0.089 18 0 "[ . 1 . 2]" 2
76 3 5 DG Q2 3 5 DG H3' 3.400 . 3.900 4.114 4.053 4.162 0.262 19 0 "[ . 1 . 2]" 2
77 3 9 DG Q2 3 9 DG H4' 5.000 . 5.500 5.806 5.762 5.850 0.350 17 0 "[ . 1 . 2]" 2
78 3 9 DG H1' 3 10 DA H1' 5.000 . 5.500 5.500 5.169 5.598 0.098 1 0 "[ . 1 . 2]" 2
79 3 3 DG H1' 3 4 DT H1' 5.000 . 5.500 5.531 5.287 5.677 0.177 4 0 "[ . 1 . 2]" 2
80 4 1 DC H1' 4 1 DC H2' 5.000 . 5.500 2.862 2.857 2.870 . 0 0 "[ . 1 . 2]" 2
81 4 1 DC H1' 4 1 DC H2'' 3.400 . 3.900 2.322 2.310 2.333 . 0 0 "[ . 1 . 2]" 2
82 4 1 DC H5 4 1 DC H6 3.400 . 3.900 2.438 2.435 2.442 . 0 0 "[ . 1 . 2]" 2
83 4 1 DC H2' 4 2 DA H8 5.000 . 5.500 3.489 3.226 3.786 . 0 0 "[ . 1 . 2]" 2
84 4 1 DC H2'' 4 2 DA H8 5.000 . 5.500 5.080 4.748 5.326 . 0 0 "[ . 1 . 2]" 2
85 4 2 DA H1' 4 2 DA H2' 5.000 . 5.500 3.056 3.050 3.063 . 0 0 "[ . 1 . 2]" 2
86 4 2 DA H1' 4 2 DA H2'' . . 3.900 2.395 2.385 2.406 . 0 0 "[ . 1 . 2]" 2
87 4 2 DA H1' 4 2 DA H8 5.000 . 5.500 3.893 3.875 3.906 . 0 0 "[ . 1 . 2]" 2
88 4 2 DA H2' 4 2 DA H8 3.400 . 3.900 2.489 2.328 2.566 . 0 0 "[ . 1 . 2]" 2
89 4 2 DA H2'' 4 2 DA H8 3.400 . 3.900 3.918 3.775 3.989 0.089 17 0 "[ . 1 . 2]" 2
90 4 2 DA H2'' 4 3 DG H8 5.000 . 5.500 4.445 3.676 4.944 . 0 0 "[ . 1 . 2]" 2
91 4 3 DG H1' 4 3 DG Q2 2.800 . 3.300 3.663 3.637 3.679 0.379 2 0 "[ . 1 . 2]" 2
92 4 3 DG H1' 4 3 DG H8 5.000 . 5.500 3.917 3.904 3.924 . 0 0 "[ . 1 . 2]" 2
93 4 3 DG Q2 4 3 DG H8 3.400 . 3.900 6.161 6.149 6.172 2.272 13 20 [************+*****-*] 2
94 4 3 DG H1' 4 4 DT M7 5.000 . 5.500 2.761 2.265 3.640 . 0 0 "[ . 1 . 2]" 2
95 4 4 DT H1' 4 4 DT H2' 3.400 . 3.900 3.063 3.060 3.066 . 0 0 "[ . 1 . 2]" 2
96 4 4 DT H1' 4 4 DT H2'' 3.400 . 3.900 2.431 2.422 2.446 . 0 0 "[ . 1 . 2]" 2
97 4 4 DT H1' 4 4 DT H6 5.000 . 5.500 3.664 3.386 3.721 . 0 0 "[ . 1 . 2]" 2
98 4 6 DG H1' 4 6 DG H8 5.000 . 5.500 3.809 3.518 3.888 . 0 0 "[ . 1 . 2]" 2
99 4 6 DG H8 4 7 DC H5 5.000 . 5.500 5.336 4.536 5.559 0.059 9 0 "[ . 1 . 2]" 2
100 4 7 DC H1' 4 7 DC H2' 5.000 . 5.500 3.056 3.051 3.060 . 0 0 "[ . 1 . 2]" 2
101 4 7 DC H1' 4 7 DC H2'' 2.800 . 3.300 2.404 2.394 2.417 . 0 0 "[ . 1 . 2]" 2
102 4 7 DC H1' 4 7 DC H6 5.000 . 5.500 3.718 3.694 3.731 . 0 0 "[ . 1 . 2]" 2
103 4 7 DC H5 4 7 DC H6 5.000 . 5.500 2.436 2.431 2.442 . 0 0 "[ . 1 . 2]" 2
104 4 7 DC H1' 4 8 DT H6 5.000 . 5.500 5.396 4.717 5.605 0.105 17 0 "[ . 1 . 2]" 2
105 4 7 DC H1' 4 8 DT M7 5.000 . 5.500 4.445 2.941 5.509 0.009 9 0 "[ . 1 . 2]" 2
106 4 8 DT H1' 4 8 DT H2' 5.000 . 5.500 2.808 2.798 2.815 . 0 0 "[ . 1 . 2]" 2
107 4 8 DT H1' 4 8 DT H2'' . . 3.300 2.322 2.296 2.342 . 0 0 "[ . 1 . 2]" 2
108 4 8 DT H1' 4 8 DT H6 5.000 . 5.500 3.677 3.564 3.724 . 0 0 "[ . 1 . 2]" 2
109 4 8 DT H1' 4 9 DG H8 5.000 . 5.500 3.536 2.301 4.918 . 0 0 "[ . 1 . 2]" 2
110 4 9 DG H1' 4 9 DG Q2 2.800 . 3.300 3.664 3.629 3.691 0.391 20 0 "[ . 1 . 2]" 2
111 4 9 DG H1' 4 9 DG H8 3.400 . 3.900 3.904 3.891 3.923 0.023 14 0 "[ . 1 . 2]" 2
112 4 9 DG H1' 4 10 DA H8 5.000 . 5.500 3.152 2.610 3.871 . 0 0 "[ . 1 . 2]" 2
113 4 9 DG H2' 4 10 DA H8 5.000 . 5.500 4.168 3.241 5.459 . 0 0 "[ . 1 . 2]" 2
114 4 10 DA H1' 4 10 DA H2' 2.800 . 3.300 3.053 3.051 3.055 . 0 0 "[ . 1 . 2]" 2
115 4 10 DA H1' 4 10 DA H2'' 5.000 . 5.500 2.397 2.385 2.404 . 0 0 "[ . 1 . 2]" 2
116 4 10 DA H1' 4 10 DA H8 5.000 . 5.500 3.874 3.821 3.892 . 0 0 "[ . 1 . 2]" 2
117 4 10 DA H2' 4 10 DA H8 5.000 . 5.500 2.270 2.051 2.514 . 0 0 "[ . 1 . 2]" 2
118 4 10 DA H2'' 4 10 DA H8 3.400 . 3.900 3.695 3.366 3.955 0.055 14 0 "[ . 1 . 2]" 2
119 4 8 DT H4' 4 9 DG H1' 5.000 . 5.500 5.159 3.727 5.563 0.063 14 0 "[ . 1 . 2]" 2
120 4 8 DT H1' 4 9 DG H5' 5.000 . 5.500 5.536 5.383 5.630 0.130 11 0 "[ . 1 . 2]" 2
121 4 4 DT H1' 4 4 DT H4' 3.400 . 3.900 3.342 3.319 3.364 . 0 0 "[ . 1 . 2]" 2
122 4 4 DT H1' 4 4 DT H3' 3.400 . 3.900 3.809 3.793 3.827 . 0 0 "[ . 1 . 2]" 2
123 4 2 DA H1' 4 2 DA H4' 3.400 . 3.900 3.492 3.474 3.520 . 0 0 "[ . 1 . 2]" 2
124 4 3 DG H1' 4 3 DG H4' 3.400 . 3.900 3.718 3.703 3.736 . 0 0 "[ . 1 . 2]" 2
125 4 8 DT H1' 4 8 DT H4' 3.400 . 3.900 3.309 3.293 3.318 . 0 0 "[ . 1 . 2]" 2
126 4 1 DC H1' 4 1 DC H4' 3.400 . 3.900 3.147 3.113 3.163 . 0 0 "[ . 1 . 2]" 2
127 4 10 DA H1' 4 10 DA H3' 5.000 . 5.500 3.870 3.859 3.882 . 0 0 "[ . 1 . 2]" 2
128 4 10 DA H1' 4 10 DA H4' 5.000 . 5.500 3.481 3.467 3.501 . 0 0 "[ . 1 . 2]" 2
129 4 9 DG H1' 4 10 DA H5'' 3.400 . 3.900 2.840 1.986 3.922 0.022 2 0 "[ . 1 . 2]" 2
130 4 8 DT H6 4 8 DT M7 5.000 . 5.500 2.308 2.253 2.412 . 0 0 "[ . 1 . 2]" 2
131 4 7 DC H2' 4 7 DC H6 3.400 . 3.900 2.336 2.044 2.550 . 0 0 "[ . 1 . 2]" 2
132 4 7 DC H2'' 4 7 DC H6 3.400 . 3.900 3.781 3.526 3.954 0.054 11 0 "[ . 1 . 2]" 2
133 4 7 DC H6 4 8 DT M7 5.000 . 5.500 3.966 2.916 5.178 . 0 0 "[ . 1 . 2]" 2
134 4 3 DG Q2 4 4 DT H6 5.000 . 5.500 4.906 4.421 5.377 . 0 0 "[ . 1 . 2]" 2
135 4 4 DT H2' 4 4 DT H6 3.400 . 3.900 2.099 1.812 2.682 . 0 0 "[ . 1 . 2]" 2
136 4 4 DT H2'' 4 4 DT H6 5.000 . 5.500 3.402 2.499 4.028 . 0 0 "[ . 1 . 2]" 2
137 4 2 DA H2 4 3 DG H8 5.000 . 5.500 4.470 3.521 5.305 . 0 0 "[ . 1 . 2]" 2
138 4 9 DG Q2 4 10 DA H8 5.000 . 5.500 4.652 4.026 5.517 0.017 7 0 "[ . 1 . 2]" 2
139 4 6 DG Q2 4 7 DC H5 5.000 . 5.500 4.477 3.371 5.071 . 0 0 "[ . 1 . 2]" 2
140 4 6 DG Q2 4 7 DC H6 5.000 . 5.500 5.321 4.470 5.556 0.056 17 0 "[ . 1 . 2]" 2
141 4 6 DG Q2 4 7 DC H1' 5.000 . 5.500 5.382 4.727 5.577 0.077 8 0 "[ . 1 . 2]" 2
142 4 6 DG H2'' 4 6 DG H8 3.400 . 3.900 3.588 2.843 3.990 0.090 11 0 "[ . 1 . 2]" 2
143 4 6 DG H2' 4 6 DG H8 3.400 . 3.900 2.287 1.958 2.560 . 0 0 "[ . 1 . 2]" 2
144 4 3 DG H2'' 4 4 DT H6 5.000 . 5.500 3.248 2.402 4.565 . 0 0 "[ . 1 . 2]" 2
145 4 5 DG Q2' 4 5 DG H8 3.400 . 3.900 3.755 3.716 3.814 . 0 0 "[ . 1 . 2]" 2
146 4 8 DT H1' 4 8 DT H3' 5.000 . 5.500 3.885 3.878 3.891 . 0 0 "[ . 1 . 2]" 2
147 4 7 DC H2' 4 7 DC H2'' 2.800 . 3.300 1.760 1.758 1.762 0.042 4 0 "[ . 1 . 2]" 2
148 4 8 DT H2' 4 8 DT H2'' 2.800 . 3.300 1.761 1.757 1.764 0.043 15 0 "[ . 1 . 2]" 2
149 4 10 DA H2' 4 10 DA H2'' 2.800 . 3.300 1.760 1.759 1.762 0.041 9 0 "[ . 1 . 2]" 2
150 4 7 DC H1' 4 7 DC H3' 5.000 . 5.500 3.859 3.838 3.875 . 0 0 "[ . 1 . 2]" 2
151 4 9 DG H2' 4 9 DG H3' 5.000 . 5.500 2.405 2.400 2.411 . 0 0 "[ . 1 . 2]" 2
152 4 9 DG Q2 4 10 DA H5' 5.000 . 5.500 4.881 4.068 5.525 0.025 3 0 "[ . 1 . 2]" 2
153 4 9 DG Q2 4 10 DA H5'' 5.000 . 5.500 4.660 4.208 5.247 . 0 0 "[ . 1 . 2]" 2
154 4 7 DC H2'' 4 8 DT H5' 5.000 . 5.500 4.363 2.302 5.639 0.139 18 0 "[ . 1 . 2]" 2
155 4 5 DG Q2 4 5 DG H3' 3.400 . 3.900 4.128 4.089 4.154 0.254 9 0 "[ . 1 . 2]" 2
156 4 9 DG Q2 4 9 DG H4' 5.000 . 5.500 5.809 5.754 5.902 0.402 14 0 "[ . 1 . 2]" 2
157 4 9 DG H1' 4 10 DA H1' 5.000 . 5.500 5.484 5.078 5.584 0.084 11 0 "[ . 1 . 2]" 2
158 4 3 DG H1' 4 4 DT H1' 5.000 . 5.500 5.508 5.085 5.667 0.167 4 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 54517.457
_Distance_constraint_stats_list.Viol_max 27.580
_Distance_constraint_stats_list.Viol_rms 6.8667
_Distance_constraint_stats_list.Viol_average_all_restraints 3.4073
_Distance_constraint_stats_list.Viol_average_violations_only 4.8503
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 TYR 145.729 8.104 16 20 [*********-*****+****]
1 17 VAL 278.486 5.577 10 20 [*********+*-********]
1 20 LYS 0.211 0.111 7 0 "[ . 1 . 2]"
1 23 ARG 3.092 0.282 2 0 "[ . 1 . 2]"
1 24 SER 418.062 23.112 15 20 [**************+****-]
1 27 HIS 0.564 0.069 13 0 "[ . 1 . 2]"
1 29 VAL 6.089 0.385 17 0 "[ . 1 . 2]"
1 38 LEU 4.132 0.569 8 1 "[ . + 1 . 2]"
1 42 GLU 1.350 0.139 2 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 493.698 27.580 2 20 [*+-*****************]
2 3 TYR 149.396 8.402 13 20 [****-*******+*******]
2 17 VAL 288.677 5.654 2 20 [*+*********-********]
2 20 LYS 0.150 0.061 5 0 "[ . 1 . 2]"
2 23 ARG 4.245 0.215 15 0 "[ . 1 . 2]"
2 24 SER 419.499 23.114 15 20 [**************+****-]
2 27 HIS 0.721 0.133 5 0 "[ . 1 . 2]"
2 29 VAL 5.691 0.404 20 0 "[ . 1 . 2]"
2 38 LEU 4.474 0.639 12 2 "[ .- 1 + . 2]"
2 42 GLU 1.542 0.149 19 0 "[ . 1 . 2]"
2 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 TYR 500.064 27.245 14 20 [**-**********+******]
3 1 DC 6.787 0.569 8 1 "[ . + 1 . 2]"
3 2 DA 98.811 5.577 10 20 [*********+**-*******]
3 3 DG 91.233 5.396 10 20 [*********+**-*******]
3 5 DG 241.891 8.104 16 20 [***********-***+****]
3 6 DG 0.929 0.150 11 0 "[ . 1 . 2]"
3 8 DT 493.698 27.580 2 20 [*+-*****************]
3 10 DA 418.062 23.112 15 20 [**************+****-]
4 1 DC 7.264 0.639 12 2 "[ .- 1 + . 2]"
4 2 DA 100.002 5.654 2 20 [*+****************-*]
4 3 DG 94.065 5.418 1 20 [+***************-***]
4 5 DG 252.139 8.402 13 20 [***********-+*******]
4 6 DG 1.428 0.177 9 0 "[ . 1 . 2]"
4 8 DT 500.064 27.245 14 20 [**-**********+******]
4 10 DA 419.499 23.114 15 20 [**************+****-]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 ARG QD 3 3 DG H3' 5.000 . 5.500 5.259 4.792 5.554 0.054 5 0 "[ . 1 . 2]" 3
2 1 23 ARG QD 3 3 DG H8 5.000 . 5.500 5.432 4.881 5.582 0.082 6 0 "[ . 1 . 2]" 3
3 1 23 ARG QD 3 3 DG H1' 5.000 . 5.500 5.570 5.422 5.782 0.282 2 0 "[ . 1 . 2]" 3
4 1 23 ARG QD 3 6 DG H1' 5.000 . 5.500 5.446 4.917 5.650 0.150 11 0 "[ . 1 . 2]" 3
5 1 20 LYS HD2 3 5 DG H1' 5.000 . 5.500 5.308 4.802 5.611 0.111 7 0 "[ . 1 . 2]" 3
6 1 20 LYS HD2 3 5 DG Q2' 5.000 . 5.500 4.473 4.184 4.697 . 0 0 "[ . 1 . 2]" 3
7 1 24 SER QB 3 10 DA H1' 5.000 . 5.500 26.403 22.984 28.612 23.112 15 20 [**************+****-] 3
8 1 42 GLU HG3 3 1 DC H5' 5.000 . 5.500 5.533 5.145 5.639 0.139 2 0 "[ . 1 . 2]" 3
9 1 38 LEU QD 3 1 DC H1' 5.000 . 5.500 5.647 4.789 6.069 0.569 8 1 "[ . + 1 . 2]" 3
10 1 17 VAL QG 3 5 DG H1' 5.000 . 5.500 6.766 6.187 7.286 1.786 15 20 [***********-**+*****] 3
11 1 17 VAL QG 3 5 DG H4' 5.000 . 5.500 9.032 8.179 9.763 4.263 18 20 [*****-***********+**] 3
12 1 17 VAL QG 3 3 DG H3' 5.000 . 5.500 9.953 9.437 10.896 5.396 10 20 [*********+**-*******] 3
13 1 17 VAL QG 3 2 DA Q2' 5.000 . 5.500 10.173 9.631 11.077 5.577 10 20 [*********+**-*******] 3
14 1 29 VAL HB 3 1 DC H1' 5.000 . 5.500 5.565 5.497 5.665 0.165 4 0 "[ . 1 . 2]" 3
15 1 29 VAL HA 3 2 DA H2' 5.000 . 5.500 5.739 5.602 5.885 0.385 17 0 "[ . 1 . 2]" 3
16 1 57 TYR QE 3 8 DT H1' 5.000 . 5.500 30.185 27.028 33.080 27.580 2 20 [*+-*****************] 3
17 1 3 TYR QE 3 5 DG Q2' 5.000 . 5.500 12.786 12.142 13.604 8.104 16 20 [*********-*****+****] 3
18 1 27 HIS HD1 3 2 DA Q6 5.000 . 5.500 5.231 4.264 5.543 0.043 10 0 "[ . 1 . 2]" 3
19 1 27 HIS HD2 3 2 DA Q6 5.000 . 5.500 5.441 5.080 5.569 0.069 13 0 "[ . 1 . 2]" 3
20 2 23 ARG QD 4 3 DG H3' 5.000 . 5.500 5.235 4.799 5.651 0.151 5 0 "[ . 1 . 2]" 3
21 2 23 ARG QD 4 3 DG H8 5.000 . 5.500 5.421 4.999 5.579 0.079 12 0 "[ . 1 . 2]" 3
22 2 23 ARG QD 4 3 DG H1' 5.000 . 5.500 5.609 5.485 5.715 0.215 15 0 "[ . 1 . 2]" 3
23 2 23 ARG QD 4 6 DG H1' 5.000 . 5.500 5.505 4.762 5.677 0.177 9 0 "[ . 1 . 2]" 3
24 2 20 LYS HD2 4 5 DG H1' 5.000 . 5.500 5.174 4.531 5.561 0.061 5 0 "[ . 1 . 2]" 3
25 2 20 LYS HD2 4 5 DG Q2' 5.000 . 5.500 4.452 3.869 4.731 . 0 0 "[ . 1 . 2]" 3
26 2 24 SER QB 4 10 DA H1' 5.000 . 5.500 26.475 23.146 28.614 23.114 15 20 [**************+****-] 3
27 2 42 GLU HG3 4 1 DC H5' 5.000 . 5.500 5.577 5.513 5.649 0.149 19 0 "[ . 1 . 2]" 3
28 2 38 LEU QD 4 1 DC H1' 5.000 . 5.500 5.706 5.269 6.139 0.639 12 2 "[ .- 1 + . 2]" 3
29 2 17 VAL QG 4 5 DG H1' 5.000 . 5.500 6.951 6.421 7.805 2.305 13 20 [***********-+*******] 3
30 2 17 VAL QG 4 5 DG H4' 5.000 . 5.500 9.178 8.377 10.324 4.824 13 20 [**********-*+*******] 3
31 2 17 VAL QG 4 3 DG H3' 5.000 . 5.500 10.062 9.578 10.918 5.418 1 20 [+***************-***] 3
32 2 17 VAL QG 4 2 DA Q2' 5.000 . 5.500 10.242 9.801 11.154 5.654 2 20 [*+****************-*] 3
33 2 29 VAL HB 4 1 DC H1' 5.000 . 5.500 5.562 5.508 5.677 0.177 4 0 "[ . 1 . 2]" 3
34 2 29 VAL HA 4 2 DA H2' 5.000 . 5.500 5.722 5.592 5.904 0.404 20 0 "[ . 1 . 2]" 3
35 2 57 TYR QE 4 8 DT H1' 5.000 . 5.500 30.503 27.213 32.745 27.245 14 20 [**-**********+******] 3
36 2 3 TYR QE 4 5 DG Q2' 5.000 . 5.500 12.970 12.221 13.902 8.402 13 20 [****-*******+*******] 3
37 2 27 HIS HD1 4 2 DA Q6 5.000 . 5.500 5.180 3.989 5.546 0.046 3 0 "[ . 1 . 2]" 3
38 2 27 HIS HD2 4 2 DA Q6 5.000 . 5.500 5.473 5.106 5.633 0.133 5 0 "[ . 1 . 2]" 3
39 2 49 ASN HB2 4 5 DG H1 5.000 . 5.500 4.509 3.828 5.181 . 0 0 "[ . 1 . 2]" 3
40 1 49 ASN HB2 3 5 DG H1 5.000 . 5.500 4.225 3.791 4.541 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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