NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533634 |
2ky9   |
27741 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ky9
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 1662
_Distance_constraint_stats_list.Viol_count 609
_Distance_constraint_stats_list.Viol_total 951.816
_Distance_constraint_stats_list.Viol_max 0.401
_Distance_constraint_stats_list.Viol_rms 0.0133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0781
_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 1 MET 0.012 0.012 18 0 "[ . 1 . 2]"
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.581 0.121 11 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.263 0.099 7 0 "[ . 1 . 2]"
1 6 GLN 0.873 0.198 3 0 "[ . 1 . 2]"
1 7 VAL 2.453 0.230 1 0 "[ . 1 . 2]"
1 8 ILE 1.869 0.249 10 0 "[ . 1 . 2]"
1 9 ILE 0.490 0.154 20 0 "[ . 1 . 2]"
1 10 ASN 1.435 0.222 17 0 "[ . 1 . 2]"
1 11 THR 3.766 0.321 9 0 "[ . 1 . 2]"
1 12 SER 0.775 0.135 2 0 "[ . 1 . 2]"
1 13 HIS 2.355 0.321 9 0 "[ . 1 . 2]"
1 14 MET 2.205 0.401 8 0 "[ . 1 . 2]"
1 15 LYS 0.391 0.210 14 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 MET 4.241 0.401 8 0 "[ . 1 . 2]"
1 18 LYS 0.606 0.197 10 0 "[ . 1 . 2]"
1 19 GLY 0.235 0.197 10 0 "[ . 1 . 2]"
1 20 ALA 0.436 0.103 10 0 "[ . 1 . 2]"
1 21 GLU 1.122 0.238 5 0 "[ . 1 . 2]"
1 22 ALA 0.709 0.238 5 0 "[ . 1 . 2]"
1 23 THR 0.939 0.223 17 0 "[ . 1 . 2]"
1 24 VAL 0.164 0.081 9 0 "[ . 1 . 2]"
1 25 THR 0.769 0.207 4 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.147 0.077 18 0 "[ . 1 . 2]"
1 28 TYR 1.510 0.205 19 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 5 0 "[ . 1 . 2]"
1 31 THR 0.020 0.016 3 0 "[ . 1 . 2]"
1 32 ALA 1.036 0.192 17 0 "[ . 1 . 2]"
1 33 TYR 1.237 0.144 11 0 "[ . 1 . 2]"
1 34 VAL 1.162 0.205 8 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.099 0.099 8 0 "[ . 1 . 2]"
1 37 TYR 1.577 0.308 15 0 "[ . 1 . 2]"
1 38 THR 0.919 0.308 15 0 "[ . 1 . 2]"
1 39 PRO 2.781 0.196 20 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.016 0.016 20 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ARG 2.744 0.199 7 0 "[ . 1 . 2]"
1 46 VAL 1.047 0.148 5 0 "[ . 1 . 2]"
1 47 ASP 1.695 0.260 18 0 "[ . 1 . 2]"
1 48 HIS 2.011 0.260 18 0 "[ . 1 . 2]"
1 49 HIS 0.276 0.105 12 0 "[ . 1 . 2]"
1 50 LYS 0.811 0.175 16 0 "[ . 1 . 2]"
1 51 TRP 0.678 0.175 16 0 "[ . 1 . 2]"
1 52 VAL 0.620 0.102 11 0 "[ . 1 . 2]"
1 53 ILE 3.039 0.346 11 0 "[ . 1 . 2]"
1 54 GLN 0.438 0.111 14 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.577 0.152 15 0 "[ . 1 . 2]"
1 57 ILE 0.831 0.346 11 0 "[ . 1 . 2]"
1 58 LYS 1.262 0.241 4 0 "[ . 1 . 2]"
1 59 ASP 0.080 0.028 2 0 "[ . 1 . 2]"
1 60 ALA 0.249 0.097 18 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LYS 0.868 0.318 20 0 "[ . 1 . 2]"
1 64 THR 0.749 0.151 9 0 "[ . 1 . 2]"
1 65 LEU 2.092 0.318 20 0 "[ . 1 . 2]"
1 66 GLN 0.552 0.139 17 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.059 0.059 6 0 "[ . 1 . 2]"
1 69 ASP 0.196 0.075 1 0 "[ . 1 . 2]"
1 70 GLN 0.811 0.108 1 0 "[ . 1 . 2]"
1 71 VAL 0.108 0.101 11 0 "[ . 1 . 2]"
1 72 ILE 1.239 0.153 12 0 "[ . 1 . 2]"
1 73 LEU 1.373 0.187 11 0 "[ . 1 . 2]"
1 74 GLU 1.105 0.241 4 0 "[ . 1 . 2]"
1 75 ALA 2.487 0.187 11 0 "[ . 1 . 2]"
1 76 SER 1.045 0.153 12 0 "[ . 1 . 2]"
1 77 HIS 1.457 0.183 10 0 "[ . 1 . 2]"
1 78 MET 2.479 0.219 14 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 MET 1.882 0.219 14 0 "[ . 1 . 2]"
1 82 LYS 1.268 0.210 20 0 "[ . 1 . 2]"
1 83 GLY 0.210 0.210 20 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.586 0.100 15 0 "[ . 1 . 2]"
1 86 ALA 0.135 0.108 17 0 "[ . 1 . 2]"
1 87 GLU 0.465 0.108 1 0 "[ . 1 . 2]"
1 88 ILE 0.196 0.075 1 0 "[ . 1 . 2]"
1 89 ASP 0.028 0.028 8 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ALA 0.016 0.016 3 0 "[ . 1 . 2]"
1 92 GLU 1.328 0.329 11 0 "[ . 1 . 2]"
1 93 LYS 0.597 0.329 11 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.661 0.253 18 0 "[ . 1 . 2]"
1 96 VAL 1.204 0.128 1 0 "[ . 1 . 2]"
1 97 TYR 0.719 0.253 18 0 "[ . 1 . 2]"
1 98 MET 0.854 0.207 4 0 "[ . 1 . 2]"
1 99 VAL 0.476 0.166 13 0 "[ . 1 . 2]"
1 100 ASP 0.470 0.223 17 0 "[ . 1 . 2]"
1 101 TYR 2.977 0.278 16 0 "[ . 1 . 2]"
1 102 THR 0.121 0.066 9 0 "[ . 1 . 2]"
1 103 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 THR 0.010 0.010 16 0 "[ . 1 . 2]"
1 105 THR 0.391 0.210 14 0 "[ . 1 . 2]"
1 106 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.088 0.066 9 0 "[ . 1 . 2]"
1 108 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.109 0.085 12 0 "[ . 1 . 2]"
1 110 VAL 1.309 0.187 7 0 "[ . 1 . 2]"
1 111 LYS 0.125 0.071 16 0 "[ . 1 . 2]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 HIS 0.055 0.045 5 0 "[ . 1 . 2]"
1 114 LYS 1.034 0.167 4 0 "[ . 1 . 2]"
1 115 TRP 1.799 0.217 3 0 "[ . 1 . 2]"
1 116 VAL 1.378 0.154 20 0 "[ . 1 . 2]"
1 117 THR 0.154 0.118 19 0 "[ . 1 . 2]"
1 118 GLU 0.629 0.109 1 0 "[ . 1 . 2]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 GLU 0.180 0.165 16 0 "[ . 1 . 2]"
1 121 LEU 0.014 0.012 18 0 "[ . 1 . 2]"
1 122 SER 0.330 0.151 17 0 "[ . 1 . 2]"
1 123 ALA 1.623 0.230 1 0 "[ . 1 . 2]"
1 124 LYS 1.352 0.249 10 0 "[ . 1 . 2]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET QB 1 5 SER QB 5.390 . 5.390 3.422 2.387 5.104 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 24 VAL MG2 4.610 . 4.610 2.519 1.750 4.046 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET ME 1 7 VAL MG1 3.770 . 3.770 2.480 1.899 3.046 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET ME 1 24 VAL MG2 5.990 . 5.990 4.286 3.197 4.960 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET ME 1 118 GLU HA 5.000 . 5.000 3.777 3.050 4.867 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 118 GLU QG 5.510 . 5.510 2.930 1.674 4.744 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET ME 1 121 LEU QB 4.390 . 4.390 2.606 1.985 3.602 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET ME 1 121 LEU MD1 3.890 . 3.890 3.619 3.139 3.902 0.012 18 0 "[ . 1 . 2]" 1
9 1 1 MET ME 1 122 SER H 5.440 . 5.440 3.830 3.178 4.698 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET ME 1 122 SER HA 4.530 . 4.530 3.121 2.257 4.008 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET ME 1 123 ALA H 5.670 . 5.670 2.777 2.007 3.413 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 123 ALA HA 4.710 . 4.710 3.279 2.748 3.923 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET QG 1 5 SER QB 5.890 . 5.890 4.285 2.675 5.512 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET QG 1 121 LEU MD1 4.770 . 4.770 3.252 2.210 4.648 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET HG2 1 7 VAL MG1 4.970 . 4.970 3.556 1.784 4.416 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET HG2 1 97 TYR QE 5.790 . 5.790 3.895 2.876 5.334 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET HG2 1 121 LEU MD1 5.440 . 5.440 3.931 2.926 5.417 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET HG3 1 7 VAL MG1 4.970 . 4.970 3.012 1.887 4.294 . 0 0 "[ . 1 . 2]" 1
19 1 1 MET HG3 1 97 TYR QE 5.790 . 5.790 4.199 3.155 4.995 . 0 0 "[ . 1 . 2]" 1
20 1 1 MET HG3 1 121 LEU MD1 5.440 . 5.440 3.686 2.287 5.249 . 0 0 "[ . 1 . 2]" 1
21 1 2 LYS HA 1 2 LYS QD 5.110 . 5.110 3.605 2.012 4.542 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS HA 1 3 VAL MG2 5.180 . 5.180 3.660 3.478 3.776 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL H 1 3 VAL MG2 4.470 . 4.470 2.086 2.006 2.219 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL HA 1 5 SER H 4.940 . 4.940 3.319 3.231 3.417 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL HA 1 5 SER QB 4.890 . 4.890 4.605 4.374 4.989 0.099 7 0 "[ . 1 . 2]" 1
26 1 3 VAL HA 1 24 VAL HB 4.860 . 4.860 2.808 2.303 3.453 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL HA 1 24 VAL MG1 3.940 . 3.940 2.282 2.096 2.738 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL HB 1 4 GLY H 5.470 . 5.470 4.144 4.007 4.255 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL MG1 1 4 GLY H 4.170 . 4.170 2.644 2.430 2.797 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL MG1 1 4 GLY HA2 5.380 . 5.380 3.644 3.484 3.768 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL MG1 1 4 GLY QA 4.560 . 4.560 3.286 3.177 3.372 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL MG1 1 4 GLY HA3 5.380 . 5.380 3.737 3.626 3.840 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL MG1 1 5 SER H 6.090 . 6.090 4.521 4.406 4.637 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL MG1 1 25 THR HA 3.960 . 3.960 2.492 2.102 2.685 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL MG1 1 25 THR HB 5.420 . 5.420 4.247 3.923 4.448 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL MG1 1 25 THR MG 4.210 . 4.210 4.104 3.667 4.331 0.121 11 0 "[ . 1 . 2]" 1
37 1 3 VAL MG1 1 26 GLY H 5.510 . 5.510 3.717 3.261 4.196 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL MG1 1 26 GLY QA 4.840 . 4.840 3.244 2.780 3.666 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL MG1 1 98 MET ME 6.300 . 6.300 4.717 4.392 5.171 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL MG2 1 4 GLY H 5.040 . 5.040 4.057 3.916 4.135 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL MG2 1 5 SER H 6.300 . 6.300 5.186 5.088 5.277 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL MG2 1 25 THR HA 5.220 . 5.220 4.301 3.900 4.747 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL MG2 1 26 GLY H 5.450 . 5.450 3.593 3.260 4.014 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL MG2 1 26 GLY HA2 4.880 . 4.880 2.609 2.075 3.608 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL MG2 1 26 GLY QA 4.070 . 4.070 2.573 2.062 3.509 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL MG2 1 26 GLY HA3 4.880 . 4.880 3.970 3.551 4.794 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL MG2 1 27 ALA H 4.500 . 4.500 2.806 2.347 3.677 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL MG2 1 98 MET ME 6.300 . 6.300 4.973 4.480 5.675 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLY H 1 5 SER H 4.380 . 4.380 2.469 2.304 2.693 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLY H 1 23 THR MG 5.040 . 5.040 3.680 3.138 4.161 . 0 0 "[ . 1 . 2]" 1
51 1 4 GLY H 1 24 VAL HB 4.950 . 4.950 2.952 2.465 3.839 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLY H 1 24 VAL MG1 4.820 . 4.820 3.487 2.878 3.929 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLY H 1 24 VAL MG2 6.070 . 6.070 4.504 4.035 5.230 . 0 0 "[ . 1 . 2]" 1
54 1 4 GLY H 1 25 THR HA 5.700 . 5.700 3.696 2.977 4.126 . 0 0 "[ . 1 . 2]" 1
55 1 4 GLY QA 1 23 THR MG 4.010 . 4.010 3.120 2.619 3.791 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER H 1 6 GLN H 5.840 . 5.840 4.614 4.548 4.652 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER H 1 24 VAL H 6.080 . 6.080 3.812 3.264 4.411 . 0 0 "[ . 1 . 2]" 1
58 1 5 SER H 1 24 VAL HB 4.440 . 4.440 2.800 2.442 3.251 . 0 0 "[ . 1 . 2]" 1
59 1 5 SER H 1 24 VAL MG1 5.270 . 5.270 4.067 3.707 4.389 . 0 0 "[ . 1 . 2]" 1
60 1 5 SER H 1 24 VAL MG2 5.300 . 5.300 3.858 3.372 4.576 . 0 0 "[ . 1 . 2]" 1
61 1 5 SER HA 1 6 GLN H 3.710 . 3.710 2.251 2.150 2.433 . 0 0 "[ . 1 . 2]" 1
62 1 5 SER QB 1 6 GLN H 4.480 . 4.480 3.209 2.709 3.790 . 0 0 "[ . 1 . 2]" 1
63 1 5 SER QB 1 7 VAL MG1 4.460 . 4.460 3.075 2.301 3.977 . 0 0 "[ . 1 . 2]" 1
64 1 5 SER QB 1 24 VAL H 5.870 . 5.870 3.974 3.431 4.744 . 0 0 "[ . 1 . 2]" 1
65 1 5 SER QB 1 24 VAL HB 5.310 . 5.310 3.153 2.622 3.882 . 0 0 "[ . 1 . 2]" 1
66 1 5 SER QB 1 24 VAL MG2 4.280 . 4.280 2.873 2.195 3.769 . 0 0 "[ . 1 . 2]" 1
67 1 5 SER HB2 1 6 GLN H 5.110 . 5.110 3.985 2.977 4.277 . 0 0 "[ . 1 . 2]" 1
68 1 5 SER HB2 1 7 VAL MG1 5.370 . 5.370 3.891 2.672 5.326 . 0 0 "[ . 1 . 2]" 1
69 1 5 SER HB2 1 24 VAL MG2 4.990 . 4.990 3.596 2.224 5.071 0.081 9 0 "[ . 1 . 2]" 1
70 1 5 SER HB3 1 6 GLN H 5.110 . 5.110 3.486 2.762 4.262 . 0 0 "[ . 1 . 2]" 1
71 1 5 SER HB3 1 7 VAL MG1 5.370 . 5.370 3.310 2.512 4.627 . 0 0 "[ . 1 . 2]" 1
72 1 5 SER HB3 1 24 VAL MG2 4.990 . 4.990 3.519 2.355 4.297 . 0 0 "[ . 1 . 2]" 1
73 1 6 GLN H 1 6 GLN HG2 4.760 . 4.760 3.721 2.308 4.623 . 0 0 "[ . 1 . 2]" 1
74 1 6 GLN H 1 6 GLN HG3 4.760 . 4.760 3.550 2.536 4.685 . 0 0 "[ . 1 . 2]" 1
75 1 6 GLN H 1 7 VAL H 6.300 . 6.300 4.445 4.332 4.540 . 0 0 "[ . 1 . 2]" 1
76 1 6 GLN H 1 7 VAL MG1 5.640 . 5.640 4.094 3.747 4.503 . 0 0 "[ . 1 . 2]" 1
77 1 6 GLN HA 1 7 VAL MG1 5.750 . 5.750 3.747 3.453 4.028 . 0 0 "[ . 1 . 2]" 1
78 1 6 GLN HA 1 7 VAL MG2 5.410 . 5.410 3.660 3.368 3.817 . 0 0 "[ . 1 . 2]" 1
79 1 6 GLN HA 1 23 THR MG 5.300 . 5.300 3.296 2.403 4.045 . 0 0 "[ . 1 . 2]" 1
80 1 6 GLN HA 1 24 VAL H 5.710 . 5.710 3.642 2.542 4.256 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLN QB 1 7 VAL H 4.670 . 4.670 3.281 2.666 3.899 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLN QB 1 23 THR MG 5.120 . 5.120 4.217 2.585 5.031 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLN QB 1 124 LYS QB 4.700 . 4.700 3.354 2.289 4.752 0.052 20 0 "[ . 1 . 2]" 1
84 1 6 GLN HB2 1 7 VAL H 5.370 . 5.370 4.189 2.710 4.420 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLN HB3 1 7 VAL H 5.370 . 5.370 3.496 2.849 4.335 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLN QE 1 23 THR MG 4.920 . 4.920 3.782 1.905 4.777 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLN HE21 1 23 THR MG 5.710 . 5.710 4.126 2.270 5.321 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLN HE22 1 23 THR MG 5.710 . 5.710 4.673 1.994 5.792 0.082 7 0 "[ . 1 . 2]" 1
89 1 6 GLN QG 1 23 THR MG 4.600 . 4.600 3.283 2.327 4.406 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLN HG2 1 7 VAL H 5.500 . 5.500 4.527 2.635 5.459 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLN HG2 1 23 THR MG 5.260 . 5.260 3.878 2.484 5.284 0.024 6 0 "[ . 1 . 2]" 1
92 1 6 GLN HG3 1 7 VAL H 5.500 . 5.500 4.684 2.805 5.698 0.198 3 0 "[ . 1 . 2]" 1
93 1 6 GLN HG3 1 23 THR MG 5.260 . 5.260 3.857 2.806 5.320 0.060 9 0 "[ . 1 . 2]" 1
94 1 7 VAL H 1 7 VAL MG1 4.710 . 4.710 3.047 2.892 3.254 . 0 0 "[ . 1 . 2]" 1
95 1 7 VAL H 1 7 VAL MG2 3.810 . 3.810 2.292 2.212 2.411 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL H 1 8 ILE H 5.680 . 5.680 4.453 4.394 4.495 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL H 1 22 ALA H 5.110 . 5.110 3.683 3.343 4.090 . 0 0 "[ . 1 . 2]" 1
98 1 7 VAL H 1 22 ALA MB 5.740 . 5.740 3.617 3.339 3.837 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL H 1 23 THR HA 5.190 . 5.190 3.149 2.511 3.922 . 0 0 "[ . 1 . 2]" 1
100 1 7 VAL H 1 23 THR MG 6.040 . 6.040 4.796 3.921 5.545 . 0 0 "[ . 1 . 2]" 1
101 1 7 VAL H 1 24 VAL H 6.300 . 6.300 4.373 3.912 5.061 . 0 0 "[ . 1 . 2]" 1
102 1 7 VAL HA 1 123 ALA HA 4.580 . 4.580 2.628 1.829 2.964 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL HA 1 123 ALA MB 5.380 . 5.380 4.132 3.055 4.432 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL HA 1 124 LYS H 4.230 . 4.230 2.573 1.682 3.152 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL HA 1 124 LYS HB2 5.710 . 5.710 3.414 2.416 4.442 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL HA 1 124 LYS QB 5.000 . 5.000 3.243 2.331 4.222 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL HA 1 124 LYS HB3 5.710 . 5.710 4.205 3.068 5.333 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL HB 1 8 ILE H 3.990 . 3.990 2.692 2.271 2.879 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL HB 1 121 LEU HB2 5.290 . 5.290 4.446 3.886 5.129 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL HB 1 121 LEU HB3 5.290 . 5.290 2.854 2.318 3.533 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL HB 1 121 LEU MD2 5.270 . 5.270 3.657 3.123 4.186 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL HB 1 122 SER H 5.490 . 5.490 3.051 2.435 4.027 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL HB 1 123 ALA HA 5.670 . 5.670 3.312 2.931 3.687 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL HB 1 123 ALA MB 5.170 . 5.170 4.603 3.781 4.917 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL HB 1 124 LYS H 5.610 . 5.610 4.587 3.871 5.156 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL MG1 1 8 ILE H 4.990 . 4.990 3.776 3.632 3.877 . 0 0 "[ . 1 . 2]" 1
117 1 7 VAL MG1 1 23 THR HA 5.640 . 5.640 4.454 3.681 4.968 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL MG1 1 24 VAL H 6.100 . 6.100 4.096 3.433 4.682 . 0 0 "[ . 1 . 2]" 1
119 1 7 VAL MG1 1 24 VAL MG1 5.480 . 5.480 4.581 4.219 5.269 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL MG1 1 121 LEU QB 5.690 . 5.690 3.144 2.433 3.893 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL MG1 1 121 LEU MD1 3.980 . 3.980 3.227 2.706 3.982 0.002 11 0 "[ . 1 . 2]" 1
122 1 7 VAL MG1 1 123 ALA HA 4.030 . 4.030 2.025 1.740 2.728 . 0 0 "[ . 1 . 2]" 1
123 1 7 VAL MG1 1 123 ALA MB 5.040 . 5.040 2.976 2.138 3.224 . 0 0 "[ . 1 . 2]" 1
124 1 7 VAL MG1 1 124 LYS H 4.890 . 4.890 3.376 2.973 4.319 . 0 0 "[ . 1 . 2]" 1
125 1 7 VAL MG2 1 8 ILE H 4.920 . 4.920 3.681 3.359 3.877 . 0 0 "[ . 1 . 2]" 1
126 1 7 VAL MG2 1 22 ALA H 5.150 . 5.150 3.335 2.868 3.847 . 0 0 "[ . 1 . 2]" 1
127 1 7 VAL MG2 1 22 ALA MB 3.610 . 3.610 1.993 1.856 2.162 . 0 0 "[ . 1 . 2]" 1
128 1 7 VAL MG2 1 23 THR HA 5.820 . 5.820 3.401 2.624 3.948 . 0 0 "[ . 1 . 2]" 1
129 1 7 VAL MG2 1 24 VAL H 5.610 . 5.610 3.615 3.122 4.371 . 0 0 "[ . 1 . 2]" 1
130 1 7 VAL MG2 1 24 VAL HA 6.050 . 6.050 4.344 3.997 4.958 . 0 0 "[ . 1 . 2]" 1
131 1 7 VAL MG2 1 99 VAL MG2 4.280 . 4.280 4.205 3.753 4.446 0.166 13 0 "[ . 1 . 2]" 1
132 1 7 VAL MG2 1 121 LEU QB 4.570 . 4.570 2.740 2.291 3.173 . 0 0 "[ . 1 . 2]" 1
133 1 7 VAL MG2 1 123 ALA HA 6.300 . 6.300 4.530 4.346 4.746 . 0 0 "[ . 1 . 2]" 1
134 1 7 VAL MG2 1 123 ALA MB 5.190 . 5.190 5.220 4.530 5.420 0.230 1 0 "[ . 1 . 2]" 1
135 1 8 ILE H 1 8 ILE HB 4.320 . 4.320 2.583 2.446 2.750 . 0 0 "[ . 1 . 2]" 1
136 1 8 ILE H 1 8 ILE MD 5.070 . 5.070 3.583 3.296 4.538 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE H 1 8 ILE HG12 5.290 . 5.290 2.629 2.376 4.060 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE H 1 8 ILE QG 4.590 . 4.590 2.555 2.354 3.177 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE H 1 8 ILE HG13 5.290 . 5.290 3.899 3.319 4.042 . 0 0 "[ . 1 . 2]" 1
140 1 8 ILE H 1 122 SER H 4.560 . 4.560 3.437 2.582 4.124 . 0 0 "[ . 1 . 2]" 1
141 1 8 ILE H 1 122 SER QB 5.440 . 5.440 3.713 3.113 4.789 . 0 0 "[ . 1 . 2]" 1
142 1 8 ILE H 1 123 ALA HA 6.130 . 6.130 3.638 2.500 4.179 . 0 0 "[ . 1 . 2]" 1
143 1 8 ILE HA 1 8 ILE MD 4.010 . 4.010 2.256 2.085 3.758 . 0 0 "[ . 1 . 2]" 1
144 1 8 ILE HA 1 21 GLU QG 5.590 . 5.590 4.288 3.626 5.367 . 0 0 "[ . 1 . 2]" 1
145 1 8 ILE HA 1 22 ALA H 5.570 . 5.570 3.125 2.545 3.610 . 0 0 "[ . 1 . 2]" 1
146 1 8 ILE HB 1 9 ILE H 5.860 . 5.860 4.145 4.030 4.290 . 0 0 "[ . 1 . 2]" 1
147 1 8 ILE HB 1 122 SER HB2 4.700 . 4.700 3.518 2.489 4.764 0.064 19 0 "[ . 1 . 2]" 1
148 1 8 ILE HB 1 122 SER QB 4.070 . 4.070 3.015 2.035 3.999 . 0 0 "[ . 1 . 2]" 1
149 1 8 ILE HB 1 122 SER HB3 4.700 . 4.700 3.975 2.044 4.851 0.151 17 0 "[ . 1 . 2]" 1
150 1 8 ILE MD 1 9 ILE H 4.990 . 4.990 3.896 3.581 4.746 . 0 0 "[ . 1 . 2]" 1
151 1 8 ILE MD 1 21 GLU H 5.750 . 5.750 4.152 3.742 4.549 . 0 0 "[ . 1 . 2]" 1
152 1 8 ILE MD 1 21 GLU HA 4.090 . 4.090 2.335 1.794 3.514 . 0 0 "[ . 1 . 2]" 1
153 1 8 ILE MD 1 21 GLU HB2 5.640 . 5.640 3.433 2.532 4.394 . 0 0 "[ . 1 . 2]" 1
154 1 8 ILE MD 1 21 GLU HB3 5.640 . 5.640 3.739 2.527 4.256 . 0 0 "[ . 1 . 2]" 1
155 1 8 ILE MD 1 21 GLU HG2 4.900 . 4.900 3.473 2.022 4.336 . 0 0 "[ . 1 . 2]" 1
156 1 8 ILE MD 1 21 GLU QG 4.150 . 4.150 2.479 1.908 4.066 . 0 0 "[ . 1 . 2]" 1
157 1 8 ILE MD 1 21 GLU HG3 4.900 . 4.900 2.787 1.928 5.065 0.165 10 0 "[ . 1 . 2]" 1
158 1 8 ILE MD 1 22 ALA H 5.040 . 5.040 3.636 2.974 5.076 0.036 10 0 "[ . 1 . 2]" 1
159 1 8 ILE MD 1 124 LYS HA 6.250 . 6.250 4.161 2.661 5.854 . 0 0 "[ . 1 . 2]" 1
160 1 8 ILE MD 1 124 LYS HD2 5.060 . 5.060 2.921 2.024 4.339 . 0 0 "[ . 1 . 2]" 1
161 1 8 ILE MD 1 124 LYS QD 4.200 . 4.200 2.433 2.001 2.869 . 0 0 "[ . 1 . 2]" 1
162 1 8 ILE MD 1 124 LYS HD3 5.060 . 5.060 3.081 2.017 4.140 . 0 0 "[ . 1 . 2]" 1
163 1 8 ILE MD 1 124 LYS QE 4.570 . 4.570 3.350 2.195 4.283 . 0 0 "[ . 1 . 2]" 1
164 1 8 ILE QG 1 21 GLU QG 5.450 . 5.450 4.148 3.673 5.361 . 0 0 "[ . 1 . 2]" 1
165 1 8 ILE QG 1 122 SER QB 5.890 . 5.890 4.382 3.661 4.964 . 0 0 "[ . 1 . 2]" 1
166 1 8 ILE QG 1 124 LYS HA 5.060 . 5.060 2.986 1.879 4.759 . 0 0 "[ . 1 . 2]" 1
167 1 8 ILE QG 1 124 LYS QB 3.610 . 3.610 3.020 2.018 3.812 0.202 12 0 "[ . 1 . 2]" 1
168 1 8 ILE MG 1 9 ILE H 4.160 . 4.160 2.657 2.493 2.848 . 0 0 "[ . 1 . 2]" 1
169 1 8 ILE MG 1 9 ILE HA 4.880 . 4.880 4.176 3.878 4.400 . 0 0 "[ . 1 . 2]" 1
170 1 8 ILE MG 1 19 GLY H 5.020 . 5.020 3.807 3.089 4.428 . 0 0 "[ . 1 . 2]" 1
171 1 8 ILE MG 1 19 GLY HA2 4.570 . 4.570 2.781 2.139 3.289 . 0 0 "[ . 1 . 2]" 1
172 1 8 ILE MG 1 19 GLY QA 3.900 . 3.900 2.736 2.121 3.222 . 0 0 "[ . 1 . 2]" 1
173 1 8 ILE MG 1 19 GLY HA3 4.570 . 4.570 4.071 3.487 4.608 0.038 18 0 "[ . 1 . 2]" 1
174 1 8 ILE MG 1 20 ALA H 5.620 . 5.620 4.095 3.520 4.825 . 0 0 "[ . 1 . 2]" 1
175 1 8 ILE MG 1 20 ALA HA 5.280 . 5.280 4.559 4.041 5.160 . 0 0 "[ . 1 . 2]" 1
176 1 8 ILE MG 1 21 GLU HA 5.410 . 5.410 3.826 3.245 4.458 . 0 0 "[ . 1 . 2]" 1
177 1 8 ILE MG 1 122 SER HB2 5.610 . 5.610 4.318 3.676 5.308 . 0 0 "[ . 1 . 2]" 1
178 1 8 ILE MG 1 122 SER QB 4.760 . 4.760 3.870 3.183 4.731 . 0 0 "[ . 1 . 2]" 1
179 1 8 ILE MG 1 122 SER HB3 5.610 . 5.610 4.862 3.267 5.607 . 0 0 "[ . 1 . 2]" 1
180 1 8 ILE MG 1 124 LYS QD 5.210 . 5.210 4.743 4.193 5.459 0.249 10 0 "[ . 1 . 2]" 1
181 1 9 ILE H 1 9 ILE HB 4.240 . 4.240 2.589 2.505 2.676 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE H 1 9 ILE MD 4.970 . 4.970 3.674 3.427 3.936 . 0 0 "[ . 1 . 2]" 1
183 1 9 ILE H 1 9 ILE HG12 4.890 . 4.890 3.387 2.164 3.557 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE H 1 9 ILE QG 4.250 . 4.250 2.199 2.064 2.386 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE H 1 9 ILE HG13 4.890 . 4.890 2.294 2.085 3.555 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE H 1 20 ALA H 5.680 . 5.680 3.775 3.414 4.229 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE H 1 20 ALA MB 6.010 . 6.010 4.052 3.620 4.323 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE H 1 21 GLU HA 5.720 . 5.720 3.910 3.373 4.493 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE H 1 22 ALA H 6.170 . 6.170 3.924 3.316 4.764 . 0 0 "[ . 1 . 2]" 1
190 1 9 ILE H 1 22 ALA MB 5.490 . 5.490 4.010 3.662 4.463 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE HA 1 11 THR H 5.870 . 5.870 4.150 3.677 4.592 . 0 0 "[ . 1 . 2]" 1
192 1 9 ILE HA 1 121 LEU HA 4.670 . 4.670 2.533 2.281 2.901 . 0 0 "[ . 1 . 2]" 1
193 1 9 ILE HA 1 121 LEU MD2 4.570 . 4.570 2.437 2.093 2.797 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE HA 1 122 SER H 5.790 . 5.790 3.524 2.716 4.066 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE HB 1 19 GLY H 6.210 . 6.210 3.232 2.587 4.051 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE HB 1 20 ALA H 4.810 . 4.810 2.996 2.417 3.445 . 0 0 "[ . 1 . 2]" 1
197 1 9 ILE HB 1 20 ALA MB 4.600 . 4.600 3.305 3.080 3.803 . 0 0 "[ . 1 . 2]" 1
198 1 9 ILE MD 1 9 ILE MG 3.700 . 3.700 2.035 1.975 2.159 . 0 0 "[ . 1 . 2]" 1
199 1 9 ILE MD 1 17 MET HA 5.350 . 5.350 3.410 2.863 4.422 . 0 0 "[ . 1 . 2]" 1
200 1 9 ILE MD 1 17 MET ME 3.810 . 3.810 3.447 2.726 3.909 0.099 18 0 "[ . 1 . 2]" 1
201 1 9 ILE MD 1 17 MET QG 4.290 . 4.290 2.519 1.901 3.909 . 0 0 "[ . 1 . 2]" 1
202 1 9 ILE MD 1 20 ALA H 5.960 . 5.960 3.929 3.265 4.811 . 0 0 "[ . 1 . 2]" 1
203 1 9 ILE MD 1 20 ALA MB 4.030 . 4.030 2.459 1.837 3.754 . 0 0 "[ . 1 . 2]" 1
204 1 9 ILE MD 1 22 ALA MB 3.610 . 3.610 1.971 1.616 2.434 . 0 0 "[ . 1 . 2]" 1
205 1 9 ILE MD 1 99 VAL MG2 3.790 . 3.790 2.792 2.014 3.446 . 0 0 "[ . 1 . 2]" 1
206 1 9 ILE MD 1 101 TYR HA 5.450 . 5.450 4.715 4.207 5.553 0.103 20 0 "[ . 1 . 2]" 1
207 1 9 ILE MD 1 101 TYR HB2 4.710 . 4.710 3.191 2.721 4.273 . 0 0 "[ . 1 . 2]" 1
208 1 9 ILE MD 1 101 TYR QB 4.140 . 4.140 2.542 2.098 3.285 . 0 0 "[ . 1 . 2]" 1
209 1 9 ILE MD 1 101 TYR HB3 4.710 . 4.710 2.681 2.164 3.413 . 0 0 "[ . 1 . 2]" 1
210 1 9 ILE MD 1 101 TYR QD 4.060 . 4.060 3.040 2.688 3.557 . 0 0 "[ . 1 . 2]" 1
211 1 9 ILE MD 1 116 VAL MG1 4.250 . 4.250 3.440 2.147 4.258 0.008 16 0 "[ . 1 . 2]" 1
212 1 9 ILE QG 1 121 LEU MD2 4.240 . 4.240 2.217 1.935 3.669 . 0 0 "[ . 1 . 2]" 1
213 1 9 ILE MG 1 10 ASN H 4.440 . 4.440 2.922 2.636 3.205 . 0 0 "[ . 1 . 2]" 1
214 1 9 ILE MG 1 11 THR H 4.000 . 4.000 3.046 1.858 3.637 . 0 0 "[ . 1 . 2]" 1
215 1 9 ILE MG 1 11 THR HB 5.480 . 5.480 4.474 3.410 5.421 . 0 0 "[ . 1 . 2]" 1
216 1 9 ILE MG 1 12 SER QB 4.980 . 4.980 3.005 1.990 4.885 . 0 0 "[ . 1 . 2]" 1
217 1 9 ILE MG 1 17 MET HA 5.540 . 5.540 4.326 3.858 5.061 . 0 0 "[ . 1 . 2]" 1
218 1 9 ILE MG 1 17 MET QB 4.460 . 4.460 3.175 1.956 3.918 . 0 0 "[ . 1 . 2]" 1
219 1 9 ILE MG 1 17 MET ME 4.210 . 4.210 3.130 2.346 4.179 . 0 0 "[ . 1 . 2]" 1
220 1 9 ILE MG 1 17 MET QG 4.690 . 4.690 2.698 1.644 4.588 . 0 0 "[ . 1 . 2]" 1
221 1 9 ILE MG 1 18 LYS HA 5.180 . 5.180 3.159 2.543 4.090 . 0 0 "[ . 1 . 2]" 1
222 1 9 ILE MG 1 19 GLY H 5.420 . 5.420 3.764 2.947 4.583 . 0 0 "[ . 1 . 2]" 1
223 1 9 ILE MG 1 20 ALA H 5.860 . 5.860 4.298 3.732 4.786 . 0 0 "[ . 1 . 2]" 1
224 1 9 ILE MG 1 20 ALA MB 5.290 . 5.290 4.116 3.819 4.754 . 0 0 "[ . 1 . 2]" 1
225 1 9 ILE MG 1 116 VAL HB 6.090 . 6.090 4.269 3.636 4.985 . 0 0 "[ . 1 . 2]" 1
226 1 9 ILE MG 1 116 VAL MG1 3.790 . 3.790 3.386 2.747 3.944 0.154 20 0 "[ . 1 . 2]" 1
227 1 10 ASN H 1 11 THR H 4.460 . 4.460 2.424 2.118 2.619 . 0 0 "[ . 1 . 2]" 1
228 1 10 ASN H 1 11 THR MG 5.710 . 5.710 5.730 4.771 5.932 0.222 17 0 "[ . 1 . 2]" 1
229 1 10 ASN H 1 121 LEU HA 4.820 . 4.820 2.750 2.246 3.614 . 0 0 "[ . 1 . 2]" 1
230 1 10 ASN H 1 121 LEU MD2 5.380 . 5.380 3.524 2.898 4.103 . 0 0 "[ . 1 . 2]" 1
231 1 10 ASN HA 1 19 GLY H 5.670 . 5.670 3.823 3.185 5.241 . 0 0 "[ . 1 . 2]" 1
232 1 10 ASN QD 1 120 GLU HA 5.440 . 5.440 3.689 2.673 4.784 . 0 0 "[ . 1 . 2]" 1
233 1 11 THR H 1 11 THR MG 4.400 . 4.400 3.830 2.797 4.045 . 0 0 "[ . 1 . 2]" 1
234 1 11 THR H 1 18 LYS HA 5.570 . 5.570 5.237 3.566 5.726 0.156 2 0 "[ . 1 . 2]" 1
235 1 11 THR H 1 121 LEU MD2 6.070 . 6.070 4.604 4.092 5.385 . 0 0 "[ . 1 . 2]" 1
236 1 11 THR HB 1 120 GLU HA 4.880 . 4.880 2.480 1.700 4.074 . 0 0 "[ . 1 . 2]" 1
237 1 11 THR HB 1 120 GLU QB 4.490 . 4.490 2.746 1.512 4.420 . 0 0 "[ . 1 . 2]" 1
238 1 11 THR HB 1 120 GLU HG2 5.270 . 5.270 3.072 1.821 5.435 0.165 16 0 "[ . 1 . 2]" 1
239 1 11 THR HB 1 120 GLU QG 4.480 . 4.480 2.588 1.815 4.365 . 0 0 "[ . 1 . 2]" 1
240 1 11 THR HB 1 120 GLU HG3 5.270 . 5.270 3.570 2.012 4.617 . 0 0 "[ . 1 . 2]" 1
241 1 11 THR MG 1 12 SER HA 4.530 . 4.530 3.595 3.069 3.984 . 0 0 "[ . 1 . 2]" 1
242 1 11 THR MG 1 13 HIS HD2 4.220 . 4.220 4.086 2.944 4.541 0.321 9 0 "[ . 1 . 2]" 1
243 1 11 THR MG 1 120 GLU H 5.920 . 5.920 5.523 4.622 5.935 0.015 17 0 "[ . 1 . 2]" 1
244 1 11 THR MG 1 120 GLU HA 5.040 . 5.040 3.749 2.443 4.343 . 0 0 "[ . 1 . 2]" 1
245 1 11 THR MG 1 120 GLU HB2 5.180 . 5.180 4.467 2.783 5.099 . 0 0 "[ . 1 . 2]" 1
246 1 11 THR MG 1 120 GLU QB 4.380 . 4.380 3.445 2.160 4.140 . 0 0 "[ . 1 . 2]" 1
247 1 11 THR MG 1 120 GLU HB3 5.180 . 5.180 3.694 2.178 4.899 . 0 0 "[ . 1 . 2]" 1
248 1 11 THR MG 1 120 GLU QG 5.160 . 5.160 2.734 1.877 4.428 . 0 0 "[ . 1 . 2]" 1
249 1 12 SER HA 1 13 HIS HD2 3.810 . 3.810 3.534 2.550 3.945 0.135 2 0 "[ . 1 . 2]" 1
250 1 12 SER HA 1 17 MET QB 6.100 . 6.100 3.692 2.475 5.234 . 0 0 "[ . 1 . 2]" 1
251 1 12 SER HA 1 17 MET ME 4.350 . 4.350 2.984 2.139 4.381 0.031 14 0 "[ . 1 . 2]" 1
252 1 12 SER QB 1 17 MET QB 3.930 . 3.930 2.233 1.746 3.337 . 0 0 "[ . 1 . 2]" 1
253 1 12 SER HB2 1 17 MET HB2 5.260 . 5.260 3.624 1.780 5.250 . 0 0 "[ . 1 . 2]" 1
254 1 12 SER HB2 1 17 MET HB3 5.260 . 5.260 3.072 1.816 4.463 . 0 0 "[ . 1 . 2]" 1
255 1 12 SER HB2 1 17 MET QG 5.680 . 5.680 3.851 2.682 5.588 . 0 0 "[ . 1 . 2]" 1
256 1 12 SER HB3 1 17 MET HB2 5.260 . 5.260 3.972 2.055 5.371 0.111 10 0 "[ . 1 . 2]" 1
257 1 12 SER HB3 1 17 MET HB3 5.260 . 5.260 3.239 1.885 3.980 . 0 0 "[ . 1 . 2]" 1
258 1 12 SER HB3 1 17 MET QG 5.680 . 5.680 3.838 2.568 5.131 . 0 0 "[ . 1 . 2]" 1
259 1 13 HIS HB2 1 14 MET H 5.820 . 5.820 2.843 2.344 3.667 . 0 0 "[ . 1 . 2]" 1
260 1 13 HIS HB2 1 14 MET ME 5.120 . 5.120 3.734 2.928 4.547 . 0 0 "[ . 1 . 2]" 1
261 1 13 HIS HB2 1 17 MET ME 4.900 . 4.900 3.042 2.016 4.600 . 0 0 "[ . 1 . 2]" 1
262 1 13 HIS HB3 1 14 MET ME 5.260 . 5.260 4.274 3.232 5.253 . 0 0 "[ . 1 . 2]" 1
263 1 13 HIS HB3 1 17 MET ME 6.300 . 6.300 4.470 3.539 6.035 . 0 0 "[ . 1 . 2]" 1
264 1 13 HIS HD2 1 17 MET ME 5.490 . 5.490 3.639 1.976 5.145 . 0 0 "[ . 1 . 2]" 1
265 1 13 HIS HD2 1 116 VAL MG1 5.900 . 5.900 4.008 2.217 5.306 . 0 0 "[ . 1 . 2]" 1
266 1 14 MET H 1 14 MET QG 5.030 . 5.030 2.982 2.265 4.119 . 0 0 "[ . 1 . 2]" 1
267 1 14 MET H 1 17 MET QB 5.400 . 5.400 3.170 2.522 4.319 . 0 0 "[ . 1 . 2]" 1
268 1 14 MET H 1 17 MET QG 6.300 . 6.300 4.227 3.253 5.046 . 0 0 "[ . 1 . 2]" 1
269 1 14 MET HA 1 14 MET ME 4.890 . 4.890 4.294 2.924 4.882 . 0 0 "[ . 1 . 2]" 1
270 1 14 MET HA 1 17 MET QB 6.100 . 6.100 4.732 4.193 5.673 . 0 0 "[ . 1 . 2]" 1
271 1 14 MET QB 1 17 MET H 5.520 . 5.520 3.077 2.578 3.590 . 0 0 "[ . 1 . 2]" 1
272 1 14 MET QB 1 17 MET ME 4.050 . 4.050 2.841 2.106 3.655 . 0 0 "[ . 1 . 2]" 1
273 1 14 MET QB 1 17 MET QG 4.990 . 4.990 3.272 1.654 4.330 . 0 0 "[ . 1 . 2]" 1
274 1 14 MET HB2 1 17 MET ME 4.740 . 4.740 2.896 2.120 3.740 . 0 0 "[ . 1 . 2]" 1
275 1 14 MET HB3 1 17 MET ME 4.740 . 4.740 4.287 2.441 5.141 0.401 8 0 "[ . 1 . 2]" 1
276 1 14 MET ME 1 17 MET ME 4.950 . 4.950 3.898 2.874 4.957 0.007 1 0 "[ . 1 . 2]" 1
277 1 14 MET ME 1 110 VAL MG1 5.430 . 5.430 4.691 2.693 5.401 . 0 0 "[ . 1 . 2]" 1
278 1 14 MET ME 1 110 VAL MG2 5.550 . 5.550 5.283 3.762 5.655 0.105 7 0 "[ . 1 . 2]" 1
279 1 14 MET ME 1 113 HIS HE1 5.120 . 5.120 2.629 2.024 3.828 . 0 0 "[ . 1 . 2]" 1
280 1 14 MET QG 1 17 MET QB 5.400 . 5.400 3.958 2.999 5.431 0.031 14 0 "[ . 1 . 2]" 1
281 1 14 MET HG2 1 17 MET ME 4.990 . 4.990 3.553 2.246 4.822 . 0 0 "[ . 1 . 2]" 1
282 1 14 MET HG2 1 17 MET QG 6.300 . 6.300 4.945 3.656 6.462 0.162 6 0 "[ . 1 . 2]" 1
283 1 14 MET HG3 1 17 MET ME 4.990 . 4.990 3.990 2.409 5.147 0.157 8 0 "[ . 1 . 2]" 1
284 1 14 MET HG3 1 17 MET QG 6.300 . 6.300 5.233 3.360 6.348 0.048 17 0 "[ . 1 . 2]" 1
285 1 15 LYS QD 1 105 THR MG 4.490 . 4.490 3.197 2.138 4.528 0.038 6 0 "[ . 1 . 2]" 1
286 1 15 LYS QE 1 105 THR MG 4.730 . 4.730 3.584 1.895 4.940 0.210 14 0 "[ . 1 . 2]" 1
287 1 15 LYS QG 1 105 THR MG 4.050 . 4.050 2.919 1.779 4.112 0.062 10 0 "[ . 1 . 2]" 1
288 1 15 LYS HG2 1 105 THR MG 4.790 . 4.790 3.577 1.859 4.673 . 0 0 "[ . 1 . 2]" 1
289 1 15 LYS HG3 1 105 THR MG 4.790 . 4.790 3.488 1.786 4.760 . 0 0 "[ . 1 . 2]" 1
290 1 16 GLY QA 1 105 THR MG 4.670 . 4.670 2.474 1.793 4.096 . 0 0 "[ . 1 . 2]" 1
291 1 16 GLY HA2 1 105 THR H 5.470 . 5.470 2.540 2.014 3.483 . 0 0 "[ . 1 . 2]" 1
292 1 16 GLY HA3 1 105 THR H 5.470 . 5.470 2.929 2.272 4.081 . 0 0 "[ . 1 . 2]" 1
293 1 17 MET H 1 17 MET QB 3.810 . 3.810 2.407 2.249 2.610 . 0 0 "[ . 1 . 2]" 1
294 1 17 MET H 1 17 MET QG 4.990 . 4.990 3.508 2.254 4.078 . 0 0 "[ . 1 . 2]" 1
295 1 17 MET H 1 18 LYS H 4.180 . 4.180 2.276 2.040 2.419 . 0 0 "[ . 1 . 2]" 1
296 1 17 MET HA 1 17 MET ME 5.110 . 5.110 4.447 3.985 4.739 . 0 0 "[ . 1 . 2]" 1
297 1 17 MET HA 1 20 ALA H 5.900 . 5.900 4.093 3.747 4.418 . 0 0 "[ . 1 . 2]" 1
298 1 17 MET HA 1 20 ALA MB 4.000 . 4.000 2.569 2.136 3.020 . 0 0 "[ . 1 . 2]" 1
299 1 17 MET HA 1 101 TYR QD 5.310 . 5.310 3.399 2.948 3.961 . 0 0 "[ . 1 . 2]" 1
300 1 17 MET HA 1 101 TYR QE 4.140 . 4.140 3.103 2.449 3.892 . 0 0 "[ . 1 . 2]" 1
301 1 17 MET HA 1 104 THR H 5.840 . 5.840 4.193 3.564 4.642 . 0 0 "[ . 1 . 2]" 1
302 1 17 MET HA 1 104 THR MG 6.260 . 6.260 4.434 4.169 5.111 . 0 0 "[ . 1 . 2]" 1
303 1 17 MET QB 1 17 MET ME 3.890 . 3.890 2.260 2.024 3.576 . 0 0 "[ . 1 . 2]" 1
304 1 17 MET HB2 1 101 TYR QE 5.880 . 5.880 3.810 2.733 5.171 . 0 0 "[ . 1 . 2]" 1
305 1 17 MET HB3 1 101 TYR QE 5.880 . 5.880 4.481 3.766 4.993 . 0 0 "[ . 1 . 2]" 1
306 1 17 MET ME 1 101 TYR QD 5.050 . 5.050 4.981 4.385 5.328 0.278 16 0 "[ . 1 . 2]" 1
307 1 17 MET ME 1 101 TYR QE 4.400 . 4.400 3.873 2.775 4.517 0.117 1 0 "[ . 1 . 2]" 1
308 1 17 MET ME 1 113 HIS QB 5.120 . 5.120 4.597 3.673 5.165 0.045 5 0 "[ . 1 . 2]" 1
309 1 17 MET ME 1 113 HIS HD2 4.690 . 4.690 3.365 2.848 3.961 . 0 0 "[ . 1 . 2]" 1
310 1 17 MET ME 1 113 HIS HE1 4.650 . 4.650 3.438 2.817 4.196 . 0 0 "[ . 1 . 2]" 1
311 1 17 MET ME 1 116 VAL HB 5.580 . 5.580 4.868 4.030 5.661 0.081 14 0 "[ . 1 . 2]" 1
312 1 17 MET ME 1 116 VAL MG1 3.820 . 3.820 2.657 2.189 3.180 . 0 0 "[ . 1 . 2]" 1
313 1 17 MET QG 1 101 TYR QE 4.330 . 4.330 2.971 1.853 3.658 . 0 0 "[ . 1 . 2]" 1
314 1 18 LYS H 1 18 LYS HB2 4.400 . 4.400 2.674 2.294 3.672 . 0 0 "[ . 1 . 2]" 1
315 1 18 LYS H 1 18 LYS HB3 4.400 . 4.400 2.596 2.428 2.783 . 0 0 "[ . 1 . 2]" 1
316 1 18 LYS HA 1 18 LYS HD2 5.540 . 5.540 4.395 2.125 5.383 . 0 0 "[ . 1 . 2]" 1
317 1 18 LYS HA 1 18 LYS HD3 5.540 . 5.540 4.530 3.039 5.582 0.042 16 0 "[ . 1 . 2]" 1
318 1 18 LYS HA 1 20 ALA H 5.060 . 5.060 3.544 3.366 3.725 . 0 0 "[ . 1 . 2]" 1
319 1 18 LYS HA 1 20 ALA MB 6.040 . 6.040 4.610 4.430 4.763 . 0 0 "[ . 1 . 2]" 1
320 1 18 LYS QD 1 19 GLY H 6.100 . 6.100 4.735 2.276 5.777 . 0 0 "[ . 1 . 2]" 1
321 1 18 LYS QG 1 19 GLY H 4.800 . 4.800 3.262 2.915 4.596 . 0 0 "[ . 1 . 2]" 1
322 1 18 LYS QG 1 19 GLY QA 4.650 . 4.650 3.661 3.254 4.847 0.197 10 0 "[ . 1 . 2]" 1
323 1 18 LYS QG 1 20 ALA H 5.910 . 5.910 4.922 4.641 5.404 . 0 0 "[ . 1 . 2]" 1
324 1 18 LYS HG2 1 19 GLY H 5.480 . 5.480 3.815 3.243 5.293 . 0 0 "[ . 1 . 2]" 1
325 1 18 LYS HG3 1 19 GLY H 5.480 . 5.480 3.648 3.169 5.046 . 0 0 "[ . 1 . 2]" 1
326 1 19 GLY H 1 20 ALA H 4.400 . 4.400 2.620 2.464 2.765 . 0 0 "[ . 1 . 2]" 1
327 1 19 GLY H 1 20 ALA MB 6.300 . 6.300 4.371 4.268 4.506 . 0 0 "[ . 1 . 2]" 1
328 1 20 ALA H 1 21 GLU H 6.200 . 6.200 4.635 4.592 4.673 . 0 0 "[ . 1 . 2]" 1
329 1 20 ALA H 1 104 THR MG 5.450 . 5.450 3.464 3.011 4.038 . 0 0 "[ . 1 . 2]" 1
330 1 20 ALA HA 1 21 GLU H 3.630 . 3.630 2.282 2.189 2.334 . 0 0 "[ . 1 . 2]" 1
331 1 20 ALA HA 1 104 THR MG 4.210 . 4.210 2.511 1.896 2.861 . 0 0 "[ . 1 . 2]" 1
332 1 20 ALA MB 1 21 GLU H 4.090 . 4.090 2.679 2.444 2.911 . 0 0 "[ . 1 . 2]" 1
333 1 20 ALA MB 1 21 GLU HB2 5.510 . 5.510 4.862 4.356 5.613 0.103 10 0 "[ . 1 . 2]" 1
334 1 20 ALA MB 1 21 GLU QB 4.770 . 4.770 4.343 3.925 4.786 0.016 10 0 "[ . 1 . 2]" 1
335 1 20 ALA MB 1 21 GLU HB3 5.510 . 5.510 5.037 4.193 5.564 0.054 4 0 "[ . 1 . 2]" 1
336 1 20 ALA MB 1 101 TYR HA 5.350 . 5.350 4.369 3.980 5.018 . 0 0 "[ . 1 . 2]" 1
337 1 20 ALA MB 1 101 TYR HB2 4.990 . 4.990 2.506 2.017 3.135 . 0 0 "[ . 1 . 2]" 1
338 1 20 ALA MB 1 101 TYR QB 4.210 . 4.210 2.468 2.000 3.069 . 0 0 "[ . 1 . 2]" 1
339 1 20 ALA MB 1 101 TYR HB3 4.990 . 4.990 3.734 3.228 4.363 . 0 0 "[ . 1 . 2]" 1
340 1 20 ALA MB 1 101 TYR QD 3.330 . 3.330 2.648 2.335 3.047 . 0 0 "[ . 1 . 2]" 1
341 1 20 ALA MB 1 101 TYR QE 4.230 . 4.230 3.982 3.618 4.301 0.071 1 0 "[ . 1 . 2]" 1
342 1 20 ALA MB 1 102 THR H 4.890 . 4.890 3.061 2.667 3.471 . 0 0 "[ . 1 . 2]" 1
343 1 20 ALA MB 1 103 SER HA 5.400 . 5.400 3.284 2.895 3.979 . 0 0 "[ . 1 . 2]" 1
344 1 20 ALA MB 1 104 THR H 5.650 . 5.650 3.005 2.717 3.282 . 0 0 "[ . 1 . 2]" 1
345 1 20 ALA MB 1 104 THR MG 3.630 . 3.630 2.199 1.958 2.607 . 0 0 "[ . 1 . 2]" 1
346 1 21 GLU H 1 21 GLU HB2 4.230 . 4.230 2.694 2.439 3.696 . 0 0 "[ . 1 . 2]" 1
347 1 21 GLU H 1 21 GLU HB3 4.230 . 4.230 2.999 2.406 3.685 . 0 0 "[ . 1 . 2]" 1
348 1 21 GLU H 1 21 GLU HG2 5.060 . 5.060 4.115 2.081 4.639 . 0 0 "[ . 1 . 2]" 1
349 1 21 GLU H 1 21 GLU QG 4.260 . 4.260 3.469 2.035 4.080 . 0 0 "[ . 1 . 2]" 1
350 1 21 GLU H 1 21 GLU HG3 5.060 . 5.060 3.866 2.264 4.700 . 0 0 "[ . 1 . 2]" 1
351 1 21 GLU H 1 22 ALA H 6.300 . 6.300 4.323 4.169 4.649 . 0 0 "[ . 1 . 2]" 1
352 1 21 GLU H 1 102 THR HB 5.640 . 5.640 4.428 3.399 4.946 . 0 0 "[ . 1 . 2]" 1
353 1 21 GLU H 1 104 THR MG 4.990 . 4.990 4.001 2.767 4.580 . 0 0 "[ . 1 . 2]" 1
354 1 21 GLU HA 1 22 ALA MB 5.450 . 5.450 4.051 3.872 4.140 . 0 0 "[ . 1 . 2]" 1
355 1 21 GLU HB2 1 22 ALA H 5.590 . 5.590 4.373 3.635 4.538 . 0 0 "[ . 1 . 2]" 1
356 1 21 GLU HB3 1 22 ALA H 5.590 . 5.590 4.076 3.186 4.496 . 0 0 "[ . 1 . 2]" 1
357 1 21 GLU HG2 1 22 ALA H 5.350 . 5.350 4.382 3.175 5.588 0.238 5 0 "[ . 1 . 2]" 1
358 1 21 GLU HG3 1 22 ALA H 5.350 . 5.350 4.244 2.794 5.233 . 0 0 "[ . 1 . 2]" 1
359 1 22 ALA H 1 23 THR H 5.660 . 5.660 4.552 4.421 4.627 . 0 0 "[ . 1 . 2]" 1
360 1 22 ALA H 1 101 TYR HA 5.450 . 5.450 4.889 4.420 5.446 . 0 0 "[ . 1 . 2]" 1
361 1 22 ALA HA 1 101 TYR HB2 5.690 . 5.690 3.385 2.912 3.760 . 0 0 "[ . 1 . 2]" 1
362 1 22 ALA HA 1 101 TYR QB 4.820 . 4.820 2.406 1.781 3.105 . 0 0 "[ . 1 . 2]" 1
363 1 22 ALA HA 1 101 TYR HB3 5.690 . 5.690 2.487 1.797 3.319 . 0 0 "[ . 1 . 2]" 1
364 1 22 ALA MB 1 23 THR H 4.080 . 4.080 2.479 2.207 2.752 . 0 0 "[ . 1 . 2]" 1
365 1 22 ALA MB 1 23 THR HA 5.550 . 5.550 3.969 3.792 4.126 . 0 0 "[ . 1 . 2]" 1
366 1 22 ALA MB 1 99 VAL HA 5.650 . 5.650 4.079 3.665 4.420 . 0 0 "[ . 1 . 2]" 1
367 1 22 ALA MB 1 99 VAL HB 3.820 . 3.820 1.970 1.748 2.341 . 0 0 "[ . 1 . 2]" 1
368 1 22 ALA MB 1 99 VAL MG1 4.000 . 4.000 2.843 2.560 3.229 . 0 0 "[ . 1 . 2]" 1
369 1 22 ALA MB 1 99 VAL MG2 4.300 . 4.300 2.742 2.511 3.254 . 0 0 "[ . 1 . 2]" 1
370 1 22 ALA MB 1 100 ASP H 5.380 . 5.380 3.501 2.826 3.960 . 0 0 "[ . 1 . 2]" 1
371 1 22 ALA MB 1 100 ASP QB 5.420 . 5.420 4.946 4.359 5.402 . 0 0 "[ . 1 . 2]" 1
372 1 22 ALA MB 1 101 TYR HA 4.670 . 4.670 3.770 2.959 4.412 . 0 0 "[ . 1 . 2]" 1
373 1 22 ALA MB 1 101 TYR QB 4.080 . 4.080 2.256 1.949 2.598 . 0 0 "[ . 1 . 2]" 1
374 1 22 ALA MB 1 101 TYR QD 5.340 . 5.340 3.429 2.925 4.027 . 0 0 "[ . 1 . 2]" 1
375 1 23 THR H 1 99 VAL HB 5.340 . 5.340 3.079 2.788 3.556 . 0 0 "[ . 1 . 2]" 1
376 1 23 THR H 1 99 VAL MG1 5.570 . 5.570 4.081 3.827 4.437 . 0 0 "[ . 1 . 2]" 1
377 1 23 THR H 1 100 ASP H 4.710 . 4.710 2.433 2.088 2.877 . 0 0 "[ . 1 . 2]" 1
378 1 23 THR H 1 100 ASP QB 5.410 . 5.410 3.655 3.125 4.521 . 0 0 "[ . 1 . 2]" 1
379 1 23 THR HA 1 24 VAL MG2 5.350 . 5.350 3.574 3.318 3.723 . 0 0 "[ . 1 . 2]" 1
380 1 23 THR HB 1 24 VAL H 6.300 . 6.300 4.155 3.968 4.333 . 0 0 "[ . 1 . 2]" 1
381 1 23 THR HB 1 25 THR MG 4.790 . 4.790 3.396 2.793 4.099 . 0 0 "[ . 1 . 2]" 1
382 1 23 THR HB 1 100 ASP H 5.240 . 5.240 3.405 2.832 3.885 . 0 0 "[ . 1 . 2]" 1
383 1 23 THR HB 1 100 ASP QB 4.290 . 4.290 3.054 2.049 4.513 0.223 17 0 "[ . 1 . 2]" 1
384 1 23 THR MG 1 24 VAL H 4.140 . 4.140 2.698 2.359 2.995 . 0 0 "[ . 1 . 2]" 1
385 1 23 THR MG 1 24 VAL HB 4.660 . 4.660 4.214 3.828 4.550 . 0 0 "[ . 1 . 2]" 1
386 1 23 THR MG 1 25 THR HA 5.400 . 5.400 4.138 3.837 4.519 . 0 0 "[ . 1 . 2]" 1
387 1 23 THR MG 1 100 ASP H 5.320 . 5.320 4.442 4.098 4.750 . 0 0 "[ . 1 . 2]" 1
388 1 24 VAL H 1 24 VAL HB 4.320 . 4.320 2.558 2.490 2.621 . 0 0 "[ . 1 . 2]" 1
389 1 24 VAL H 1 24 VAL MG2 3.940 . 3.940 2.202 2.063 2.386 . 0 0 "[ . 1 . 2]" 1
390 1 24 VAL H 1 25 THR H 6.300 . 6.300 4.368 4.233 4.510 . 0 0 "[ . 1 . 2]" 1
391 1 24 VAL HA 1 26 GLY H 5.100 . 5.100 3.425 3.251 3.597 . 0 0 "[ . 1 . 2]" 1
392 1 24 VAL HA 1 99 VAL HA 4.790 . 4.790 2.766 2.468 3.256 . 0 0 "[ . 1 . 2]" 1
393 1 24 VAL HA 1 99 VAL MG1 3.910 . 3.910 2.119 1.899 2.568 . 0 0 "[ . 1 . 2]" 1
394 1 24 VAL HA 1 100 ASP H 6.300 . 6.300 4.219 3.935 4.693 . 0 0 "[ . 1 . 2]" 1
395 1 24 VAL HB 1 26 GLY H 6.300 . 6.300 4.776 4.566 5.185 . 0 0 "[ . 1 . 2]" 1
396 1 24 VAL MG1 1 25 THR H 4.640 . 4.640 3.231 2.919 3.440 . 0 0 "[ . 1 . 2]" 1
397 1 24 VAL MG1 1 26 GLY H 4.000 . 4.000 2.593 2.208 3.037 . 0 0 "[ . 1 . 2]" 1
398 1 24 VAL MG1 1 97 TYR HA 6.080 . 6.080 3.920 3.545 4.370 . 0 0 "[ . 1 . 2]" 1
399 1 24 VAL MG1 1 97 TYR HB2 5.190 . 5.190 4.019 3.664 4.532 . 0 0 "[ . 1 . 2]" 1
400 1 24 VAL MG1 1 97 TYR QB 4.410 . 4.410 2.523 2.171 3.066 . 0 0 "[ . 1 . 2]" 1
401 1 24 VAL MG1 1 97 TYR HB3 5.190 . 5.190 2.550 2.187 3.118 . 0 0 "[ . 1 . 2]" 1
402 1 24 VAL MG1 1 97 TYR QD 3.890 . 3.890 2.147 1.926 2.417 . 0 0 "[ . 1 . 2]" 1
403 1 24 VAL MG1 1 97 TYR QE 5.050 . 5.050 3.211 2.886 3.395 . 0 0 "[ . 1 . 2]" 1
404 1 24 VAL MG1 1 98 MET H 5.330 . 5.330 3.801 3.297 4.446 . 0 0 "[ . 1 . 2]" 1
405 1 24 VAL MG2 1 25 THR H 5.390 . 5.390 4.285 4.174 4.364 . 0 0 "[ . 1 . 2]" 1
406 1 24 VAL MG2 1 26 GLY H 5.890 . 5.890 4.733 4.461 4.954 . 0 0 "[ . 1 . 2]" 1
407 1 24 VAL MG2 1 97 TYR HB2 5.630 . 5.630 4.115 3.471 4.780 . 0 0 "[ . 1 . 2]" 1
408 1 24 VAL MG2 1 97 TYR QB 4.730 . 4.730 3.210 2.745 3.744 . 0 0 "[ . 1 . 2]" 1
409 1 24 VAL MG2 1 97 TYR HB3 5.630 . 5.630 3.355 2.877 3.912 . 0 0 "[ . 1 . 2]" 1
410 1 24 VAL MG2 1 97 TYR QD 4.900 . 4.900 3.527 2.801 3.955 . 0 0 "[ . 1 . 2]" 1
411 1 24 VAL MG2 1 98 MET H 6.010 . 6.010 5.452 4.879 5.881 . 0 0 "[ . 1 . 2]" 1
412 1 24 VAL MG2 1 121 LEU MD1 3.950 . 3.950 2.829 2.061 3.227 . 0 0 "[ . 1 . 2]" 1
413 1 25 THR H 1 25 THR HG1 4.680 . 4.680 3.019 2.111 3.619 . 0 0 "[ . 1 . 2]" 1
414 1 25 THR H 1 25 THR MG 4.420 . 4.420 2.671 2.427 3.111 . 0 0 "[ . 1 . 2]" 1
415 1 25 THR H 1 26 GLY H 3.870 . 3.870 2.264 1.988 2.394 . 0 0 "[ . 1 . 2]" 1
416 1 25 THR H 1 98 MET H 6.300 . 6.300 4.572 3.827 4.774 . 0 0 "[ . 1 . 2]" 1
417 1 25 THR H 1 98 MET HB2 5.970 . 5.970 5.697 5.161 6.050 0.080 5 0 "[ . 1 . 2]" 1
418 1 25 THR H 1 98 MET QG 6.100 . 6.100 4.244 3.786 5.635 . 0 0 "[ . 1 . 2]" 1
419 1 25 THR H 1 99 VAL HA 4.500 . 4.500 2.563 2.175 3.171 . 0 0 "[ . 1 . 2]" 1
420 1 25 THR H 1 99 VAL HB 6.300 . 6.300 4.827 4.446 5.439 . 0 0 "[ . 1 . 2]" 1
421 1 25 THR H 1 99 VAL MG1 4.990 . 4.990 3.487 3.243 4.020 . 0 0 "[ . 1 . 2]" 1
422 1 25 THR H 1 100 ASP H 6.150 . 6.150 4.039 3.726 4.831 . 0 0 "[ . 1 . 2]" 1
423 1 25 THR HA 1 25 THR MG 3.690 . 3.690 2.387 2.302 2.468 . 0 0 "[ . 1 . 2]" 1
424 1 25 THR HA 1 98 MET ME 5.320 . 5.320 4.391 4.139 5.184 . 0 0 "[ . 1 . 2]" 1
425 1 25 THR HB 1 98 MET ME 4.290 . 4.290 2.945 2.436 4.006 . 0 0 "[ . 1 . 2]" 1
426 1 25 THR HG1 1 26 GLY H 5.830 . 5.830 4.136 3.343 4.456 . 0 0 "[ . 1 . 2]" 1
427 1 25 THR HG1 1 98 MET ME 4.420 . 4.420 3.088 2.226 3.912 . 0 0 "[ . 1 . 2]" 1
428 1 25 THR HG1 1 98 MET HG2 5.780 . 5.780 2.798 1.959 5.341 . 0 0 "[ . 1 . 2]" 1
429 1 25 THR HG1 1 98 MET QG 4.970 . 4.970 2.752 1.951 4.927 . 0 0 "[ . 1 . 2]" 1
430 1 25 THR HG1 1 98 MET HG3 5.780 . 5.780 4.389 3.600 5.778 . 0 0 "[ . 1 . 2]" 1
431 1 25 THR HG1 1 99 VAL HA 5.380 . 5.380 3.619 2.576 4.800 . 0 0 "[ . 1 . 2]" 1
432 1 25 THR HG1 1 100 ASP H 6.300 . 6.300 4.283 3.362 5.620 . 0 0 "[ . 1 . 2]" 1
433 1 25 THR MG 1 26 GLY H 5.450 . 5.450 4.245 4.061 4.487 . 0 0 "[ . 1 . 2]" 1
434 1 25 THR MG 1 98 MET ME 4.650 . 4.650 4.012 3.679 4.857 0.207 4 0 "[ . 1 . 2]" 1
435 1 25 THR MG 1 99 VAL HA 4.870 . 4.870 3.474 2.826 4.603 . 0 0 "[ . 1 . 2]" 1
436 1 25 THR MG 1 100 ASP H 4.650 . 4.650 3.267 2.700 4.509 . 0 0 "[ . 1 . 2]" 1
437 1 25 THR MG 1 100 ASP QB 4.780 . 4.780 2.840 2.003 4.009 . 0 0 "[ . 1 . 2]" 1
438 1 26 GLY H 1 97 TYR HA 6.110 . 6.110 4.710 4.403 5.168 . 0 0 "[ . 1 . 2]" 1
439 1 26 GLY H 1 98 MET H 4.690 . 4.690 3.245 2.751 3.411 . 0 0 "[ . 1 . 2]" 1
440 1 26 GLY H 1 98 MET HB3 5.040 . 5.040 3.032 2.626 3.423 . 0 0 "[ . 1 . 2]" 1
441 1 26 GLY H 1 98 MET ME 5.380 . 5.380 3.558 3.314 3.930 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLY H 1 98 MET HG2 6.300 . 6.300 4.489 4.015 5.904 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLY H 1 98 MET QG 5.460 . 5.460 4.313 3.911 5.242 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLY H 1 98 MET HG3 6.300 . 6.300 5.656 5.392 5.868 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLY H 1 99 VAL HA 6.300 . 6.300 4.320 4.006 4.713 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLY H 1 99 VAL MG1 5.680 . 5.680 4.324 4.157 4.719 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLY QA 1 27 ALA MB 5.120 . 5.120 3.778 3.658 3.877 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLY QA 1 28 TYR QE 4.740 . 4.740 2.654 1.973 3.592 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLY QA 1 98 MET HB3 5.700 . 5.700 2.392 2.077 2.907 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLY QA 1 98 MET ME 3.890 . 3.890 2.157 1.854 2.423 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLY HA2 1 98 MET ME 4.650 . 4.650 3.373 3.079 3.729 . 0 0 "[ . 1 . 2]" 1
452 1 26 GLY HA3 1 98 MET ME 4.650 . 4.650 2.184 1.867 2.455 . 0 0 "[ . 1 . 2]" 1
453 1 27 ALA H 1 28 TYR H 5.820 . 5.820 4.191 4.005 4.383 . 0 0 "[ . 1 . 2]" 1
454 1 27 ALA HA 1 28 TYR QD 4.300 . 4.300 3.291 2.935 3.666 . 0 0 "[ . 1 . 2]" 1
455 1 27 ALA HA 1 95 THR MG 5.240 . 5.240 3.806 3.276 5.137 . 0 0 "[ . 1 . 2]" 1
456 1 27 ALA HA 1 97 TYR HA 4.350 . 4.350 2.737 2.492 3.248 . 0 0 "[ . 1 . 2]" 1
457 1 27 ALA HA 1 97 TYR QD 4.080 . 4.080 2.594 2.103 3.091 . 0 0 "[ . 1 . 2]" 1
458 1 27 ALA HA 1 98 MET H 5.530 . 5.530 3.840 3.532 4.295 . 0 0 "[ . 1 . 2]" 1
459 1 27 ALA MB 1 28 TYR H 4.410 . 4.410 3.308 2.945 3.437 . 0 0 "[ . 1 . 2]" 1
460 1 27 ALA MB 1 95 THR MG 3.960 . 3.960 3.199 2.579 4.037 0.077 18 0 "[ . 1 . 2]" 1
461 1 27 ALA MB 1 97 TYR HA 5.070 . 5.070 4.221 3.954 4.764 . 0 0 "[ . 1 . 2]" 1
462 1 27 ALA MB 1 97 TYR QD 2.990 . 2.990 2.706 2.485 3.060 0.070 5 0 "[ . 1 . 2]" 1
463 1 27 ALA MB 1 97 TYR QE 3.120 . 3.120 2.467 2.297 2.718 . 0 0 "[ . 1 . 2]" 1
464 1 28 TYR H 1 28 TYR QD 3.860 . 3.860 2.588 2.221 3.099 . 0 0 "[ . 1 . 2]" 1
465 1 28 TYR H 1 29 ASP H 5.950 . 5.950 4.325 4.146 4.442 . 0 0 "[ . 1 . 2]" 1
466 1 28 TYR H 1 30 THR MG 6.280 . 6.280 5.114 4.827 5.630 . 0 0 "[ . 1 . 2]" 1
467 1 28 TYR H 1 95 THR MG 4.710 . 4.710 3.241 2.799 4.643 . 0 0 "[ . 1 . 2]" 1
468 1 28 TYR H 1 96 VAL MG2 5.330 . 5.330 3.590 3.320 3.826 . 0 0 "[ . 1 . 2]" 1
469 1 28 TYR H 1 97 TYR HA 5.380 . 5.380 3.192 2.851 3.703 . 0 0 "[ . 1 . 2]" 1
470 1 28 TYR HA 1 28 TYR QD 3.930 . 3.930 3.227 3.106 3.297 . 0 0 "[ . 1 . 2]" 1
471 1 28 TYR QB 1 30 THR H 6.100 . 6.100 3.845 3.616 4.039 . 0 0 "[ . 1 . 2]" 1
472 1 28 TYR QB 1 30 THR HB 4.970 . 4.970 3.652 3.330 4.091 . 0 0 "[ . 1 . 2]" 1
473 1 28 TYR QB 1 96 VAL HB 6.100 . 6.100 4.210 4.032 4.531 . 0 0 "[ . 1 . 2]" 1
474 1 28 TYR QB 1 96 VAL MG2 4.210 . 4.210 1.932 1.689 2.239 . 0 0 "[ . 1 . 2]" 1
475 1 28 TYR HB2 1 30 THR HB 5.640 . 5.640 5.184 4.858 5.640 0.000 5 0 "[ . 1 . 2]" 1
476 1 28 TYR HB2 1 30 THR MG 4.740 . 4.740 3.264 2.975 3.673 . 0 0 "[ . 1 . 2]" 1
477 1 28 TYR HB2 1 96 VAL MG2 4.810 . 4.810 1.961 1.700 2.318 . 0 0 "[ . 1 . 2]" 1
478 1 28 TYR HB3 1 30 THR HB 5.640 . 5.640 3.733 3.385 4.200 . 0 0 "[ . 1 . 2]" 1
479 1 28 TYR HB3 1 30 THR MG 4.740 . 4.740 2.588 2.137 2.867 . 0 0 "[ . 1 . 2]" 1
480 1 28 TYR HB3 1 96 VAL MG2 4.810 . 4.810 2.955 2.635 3.286 . 0 0 "[ . 1 . 2]" 1
481 1 28 TYR QD 1 30 THR MG 4.410 . 4.410 3.758 2.768 4.157 . 0 0 "[ . 1 . 2]" 1
482 1 28 TYR QD 1 53 ILE MD 4.340 . 4.340 3.885 3.438 4.177 . 0 0 "[ . 1 . 2]" 1
483 1 28 TYR QD 1 96 VAL MG2 4.030 . 4.030 3.579 3.201 4.046 0.016 8 0 "[ . 1 . 2]" 1
484 1 28 TYR QE 1 53 ILE MD 4.560 . 4.560 4.583 3.801 4.765 0.205 19 0 "[ . 1 . 2]" 1
485 1 28 TYR QE 1 98 MET ME 4.400 . 4.400 2.932 2.256 3.904 . 0 0 "[ . 1 . 2]" 1
486 1 29 ASP H 1 30 THR H 5.840 . 5.840 3.895 3.742 3.994 . 0 0 "[ . 1 . 2]" 1
487 1 29 ASP HA 1 30 THR MG 5.090 . 5.090 3.945 3.759 4.080 . 0 0 "[ . 1 . 2]" 1
488 1 29 ASP HA 1 95 THR MG 4.480 . 4.480 2.886 2.267 3.523 . 0 0 "[ . 1 . 2]" 1
489 1 29 ASP HA 1 96 VAL MG2 5.660 . 5.660 4.175 3.732 4.581 . 0 0 "[ . 1 . 2]" 1
490 1 29 ASP HB2 1 30 THR H 5.730 . 5.730 4.246 3.953 4.625 . 0 0 "[ . 1 . 2]" 1
491 1 29 ASP HB3 1 30 THR H 5.730 . 5.730 4.523 4.064 4.606 . 0 0 "[ . 1 . 2]" 1
492 1 30 THR H 1 30 THR MG 4.200 . 4.200 2.276 2.240 2.350 . 0 0 "[ . 1 . 2]" 1
493 1 30 THR H 1 95 THR MG 5.940 . 5.940 4.509 4.010 5.168 . 0 0 "[ . 1 . 2]" 1
494 1 30 THR HB 1 31 THR H 5.930 . 5.930 3.701 3.625 3.791 . 0 0 "[ . 1 . 2]" 1
495 1 30 THR MG 1 31 THR H 4.400 . 4.400 3.346 3.154 3.633 . 0 0 "[ . 1 . 2]" 1
496 1 30 THR MG 1 31 THR HA 5.690 . 5.690 4.351 4.096 4.638 . 0 0 "[ . 1 . 2]" 1
497 1 30 THR MG 1 32 ALA H 6.300 . 6.300 4.521 4.243 4.842 . 0 0 "[ . 1 . 2]" 1
498 1 30 THR MG 1 32 ALA HA 5.210 . 5.210 4.127 3.836 4.331 . 0 0 "[ . 1 . 2]" 1
499 1 30 THR MG 1 53 ILE HA 5.180 . 5.180 4.026 3.414 4.542 . 0 0 "[ . 1 . 2]" 1
500 1 30 THR MG 1 53 ILE HB 4.090 . 4.090 2.493 2.053 2.903 . 0 0 "[ . 1 . 2]" 1
501 1 30 THR MG 1 53 ILE MD 3.950 . 3.950 2.350 1.738 2.983 . 0 0 "[ . 1 . 2]" 1
502 1 30 THR MG 1 53 ILE MG 3.800 . 3.800 2.289 2.082 2.599 . 0 0 "[ . 1 . 2]" 1
503 1 30 THR MG 1 54 GLN H 5.590 . 5.590 3.841 3.222 4.350 . 0 0 "[ . 1 . 2]" 1
504 1 30 THR MG 1 95 THR HA 5.550 . 5.550 4.561 3.982 5.093 . 0 0 "[ . 1 . 2]" 1
505 1 30 THR MG 1 96 VAL H 5.650 . 5.650 3.874 3.403 4.420 . 0 0 "[ . 1 . 2]" 1
506 1 30 THR MG 1 96 VAL HB 5.260 . 5.260 4.711 4.503 5.078 . 0 0 "[ . 1 . 2]" 1
507 1 30 THR MG 1 96 VAL MG1 4.140 . 4.140 3.611 3.290 4.010 . 0 0 "[ . 1 . 2]" 1
508 1 30 THR MG 1 96 VAL MG2 3.710 . 3.710 2.252 2.046 2.572 . 0 0 "[ . 1 . 2]" 1
509 1 31 THR H 1 53 ILE HB 6.100 . 6.100 4.724 4.266 5.096 . 0 0 "[ . 1 . 2]" 1
510 1 31 THR H 1 54 GLN H 5.410 . 5.410 4.201 3.700 4.760 . 0 0 "[ . 1 . 2]" 1
511 1 31 THR H 1 54 GLN QB 4.970 . 4.970 3.538 2.778 4.280 . 0 0 "[ . 1 . 2]" 1
512 1 31 THR H 1 96 VAL MG2 6.000 . 6.000 5.755 5.475 6.004 0.004 10 0 "[ . 1 . 2]" 1
513 1 31 THR HB 1 33 TYR QD 5.640 . 5.640 4.885 4.361 5.401 . 0 0 "[ . 1 . 2]" 1
514 1 31 THR HB 1 33 TYR QE 4.120 . 4.120 3.448 2.899 4.110 . 0 0 "[ . 1 . 2]" 1
515 1 31 THR HB 1 54 GLN H 5.710 . 5.710 3.646 3.271 4.089 . 0 0 "[ . 1 . 2]" 1
516 1 31 THR HB 1 54 GLN QB 4.750 . 4.750 2.656 1.963 4.115 . 0 0 "[ . 1 . 2]" 1
517 1 31 THR MG 1 32 ALA H 4.110 . 4.110 2.849 2.637 3.135 . 0 0 "[ . 1 . 2]" 1
518 1 31 THR MG 1 33 TYR QD 4.300 . 4.300 3.707 3.450 3.981 . 0 0 "[ . 1 . 2]" 1
519 1 31 THR MG 1 33 TYR QE 3.740 . 3.740 2.902 2.666 3.018 . 0 0 "[ . 1 . 2]" 1
520 1 31 THR MG 1 33 TYR HH 5.400 . 5.400 2.550 1.923 3.586 . 0 0 "[ . 1 . 2]" 1
521 1 31 THR MG 1 54 GLN QB 5.640 . 5.640 3.888 3.032 5.126 . 0 0 "[ . 1 . 2]" 1
522 1 31 THR MG 1 64 THR MG 4.150 . 4.150 2.799 1.915 3.944 . 0 0 "[ . 1 . 2]" 1
523 1 31 THR MG 1 65 LEU H 5.540 . 5.540 4.007 3.523 4.494 . 0 0 "[ . 1 . 2]" 1
524 1 31 THR MG 1 91 ALA HA 5.020 . 5.020 4.048 3.509 4.728 . 0 0 "[ . 1 . 2]" 1
525 1 31 THR MG 1 91 ALA MB 3.750 . 3.750 3.082 2.344 3.766 0.016 3 0 "[ . 1 . 2]" 1
526 1 31 THR MG 1 92 GLU H 4.890 . 4.890 3.268 2.672 3.675 . 0 0 "[ . 1 . 2]" 1
527 1 31 THR MG 1 93 LYS H 5.490 . 5.490 4.462 3.802 5.043 . 0 0 "[ . 1 . 2]" 1
528 1 31 THR MG 1 93 LYS HA 4.620 . 4.620 3.429 2.726 4.038 . 0 0 "[ . 1 . 2]" 1
529 1 31 THR MG 1 93 LYS QB 5.310 . 5.310 4.308 2.778 5.015 . 0 0 "[ . 1 . 2]" 1
530 1 31 THR MG 1 93 LYS QD 5.470 . 5.470 2.894 2.155 4.520 . 0 0 "[ . 1 . 2]" 1
531 1 31 THR MG 1 93 LYS QE 5.730 . 5.730 2.967 2.336 4.422 . 0 0 "[ . 1 . 2]" 1
532 1 31 THR MG 1 93 LYS QG 4.640 . 4.640 3.392 2.234 4.618 . 0 0 "[ . 1 . 2]" 1
533 1 32 ALA H 1 92 GLU QB 5.810 . 5.810 3.982 3.419 4.328 . 0 0 "[ . 1 . 2]" 1
534 1 32 ALA H 1 92 GLU QG 5.930 . 5.930 4.700 4.007 5.563 . 0 0 "[ . 1 . 2]" 1
535 1 32 ALA H 1 94 THR H 5.670 . 5.670 3.228 2.723 3.747 . 0 0 "[ . 1 . 2]" 1
536 1 32 ALA H 1 94 THR MG 5.010 . 5.010 3.365 2.802 3.891 . 0 0 "[ . 1 . 2]" 1
537 1 32 ALA HA 1 33 TYR QD 4.440 . 4.440 3.760 3.399 4.288 . 0 0 "[ . 1 . 2]" 1
538 1 32 ALA HA 1 53 ILE HA 4.330 . 4.330 2.221 1.812 2.505 . 0 0 "[ . 1 . 2]" 1
539 1 32 ALA HA 1 53 ILE MG 4.500 . 4.500 2.693 1.949 3.385 . 0 0 "[ . 1 . 2]" 1
540 1 32 ALA HA 1 94 THR MG 5.010 . 5.010 4.553 4.328 4.768 . 0 0 "[ . 1 . 2]" 1
541 1 32 ALA MB 1 33 TYR H 4.810 . 4.810 2.741 2.399 3.364 . 0 0 "[ . 1 . 2]" 1
542 1 32 ALA MB 1 51 TRP QB 4.870 . 4.870 2.644 1.917 3.670 . 0 0 "[ . 1 . 2]" 1
543 1 32 ALA MB 1 51 TRP HE3 3.690 . 3.690 2.185 1.787 2.409 . 0 0 "[ . 1 . 2]" 1
544 1 32 ALA MB 1 53 ILE HA 5.180 . 5.180 3.649 3.262 4.060 . 0 0 "[ . 1 . 2]" 1
545 1 32 ALA MB 1 53 ILE MG 5.570 . 5.570 2.663 2.213 3.395 . 0 0 "[ . 1 . 2]" 1
546 1 32 ALA MB 1 92 GLU HB2 4.870 . 4.870 4.576 3.071 5.062 0.192 17 0 "[ . 1 . 2]" 1
547 1 32 ALA MB 1 92 GLU HB3 4.870 . 4.870 3.275 2.348 4.008 . 0 0 "[ . 1 . 2]" 1
548 1 32 ALA MB 1 92 GLU QG 4.490 . 4.490 3.866 2.862 4.574 0.084 14 0 "[ . 1 . 2]" 1
549 1 32 ALA MB 1 93 LYS H 6.300 . 6.300 5.489 5.094 5.855 . 0 0 "[ . 1 . 2]" 1
550 1 32 ALA MB 1 94 THR H 4.890 . 4.890 3.411 2.987 3.903 . 0 0 "[ . 1 . 2]" 1
551 1 32 ALA MB 1 96 VAL MG1 4.040 . 4.040 2.340 1.921 2.587 . 0 0 "[ . 1 . 2]" 1
552 1 32 ALA MB 1 117 THR MG 4.090 . 4.090 3.576 2.898 4.208 0.118 19 0 "[ . 1 . 2]" 1
553 1 33 TYR H 1 33 TYR QD 3.960 . 3.960 3.286 2.604 3.680 . 0 0 "[ . 1 . 2]" 1
554 1 33 TYR H 1 34 VAL H 5.920 . 5.920 4.415 4.334 4.569 . 0 0 "[ . 1 . 2]" 1
555 1 33 TYR H 1 51 TRP HE3 6.030 . 6.030 3.259 2.363 4.690 . 0 0 "[ . 1 . 2]" 1
556 1 33 TYR H 1 52 VAL H 5.100 . 5.100 3.197 2.461 4.014 . 0 0 "[ . 1 . 2]" 1
557 1 33 TYR H 1 52 VAL MG2 5.470 . 5.470 3.076 2.662 3.343 . 0 0 "[ . 1 . 2]" 1
558 1 33 TYR H 1 53 ILE HA 5.350 . 5.350 3.316 2.643 3.714 . 0 0 "[ . 1 . 2]" 1
559 1 33 TYR H 1 53 ILE MG 5.640 . 5.640 4.120 3.541 4.691 . 0 0 "[ . 1 . 2]" 1
560 1 33 TYR HA 1 33 TYR QD 3.650 . 3.650 2.703 2.418 2.884 . 0 0 "[ . 1 . 2]" 1
561 1 33 TYR HA 1 34 VAL MG1 5.940 . 5.940 5.520 5.452 5.586 . 0 0 "[ . 1 . 2]" 1
562 1 33 TYR HA 1 34 VAL MG2 5.550 . 5.550 3.563 3.297 3.916 . 0 0 "[ . 1 . 2]" 1
563 1 33 TYR HA 1 51 TRP HZ3 5.650 . 5.650 4.234 3.354 5.625 . 0 0 "[ . 1 . 2]" 1
564 1 33 TYR HA 1 88 ILE MG 5.900 . 5.900 4.035 3.705 4.506 . 0 0 "[ . 1 . 2]" 1
565 1 33 TYR HA 1 91 ALA HA 4.740 . 4.740 2.675 2.224 3.093 . 0 0 "[ . 1 . 2]" 1
566 1 33 TYR HA 1 91 ALA MB 5.120 . 5.120 4.097 3.665 4.610 . 0 0 "[ . 1 . 2]" 1
567 1 33 TYR QB 1 35 VAL MG1 3.990 . 3.990 2.482 2.190 2.830 . 0 0 "[ . 1 . 2]" 1
568 1 33 TYR QB 1 52 VAL MG2 4.240 . 4.240 1.999 1.754 2.385 . 0 0 "[ . 1 . 2]" 1
569 1 33 TYR QB 1 57 ILE MD 4.680 . 4.680 2.842 2.494 3.604 . 0 0 "[ . 1 . 2]" 1
570 1 33 TYR QB 1 88 ILE MD 4.170 . 4.170 2.483 2.149 2.773 . 0 0 "[ . 1 . 2]" 1
571 1 33 TYR QB 1 88 ILE MG 4.780 . 4.780 2.917 2.506 3.357 . 0 0 "[ . 1 . 2]" 1
572 1 33 TYR HB2 1 35 VAL MG1 4.550 . 4.550 2.947 2.709 3.323 . 0 0 "[ . 1 . 2]" 1
573 1 33 TYR HB2 1 52 VAL MG2 5.020 . 5.020 2.018 1.765 2.418 . 0 0 "[ . 1 . 2]" 1
574 1 33 TYR HB2 1 57 ILE MD 5.490 . 5.490 2.959 2.572 3.738 . 0 0 "[ . 1 . 2]" 1
575 1 33 TYR HB2 1 88 ILE MD 4.770 . 4.770 3.473 3.021 3.795 . 0 0 "[ . 1 . 2]" 1
576 1 33 TYR HB2 1 88 ILE MG 5.600 . 5.600 4.474 4.022 4.902 . 0 0 "[ . 1 . 2]" 1
577 1 33 TYR HB3 1 35 VAL MG1 4.550 . 4.550 2.679 2.294 3.094 . 0 0 "[ . 1 . 2]" 1
578 1 33 TYR HB3 1 52 VAL MG2 5.020 . 5.020 3.260 3.048 3.649 . 0 0 "[ . 1 . 2]" 1
579 1 33 TYR HB3 1 57 ILE MD 5.490 . 5.490 3.692 3.189 4.730 . 0 0 "[ . 1 . 2]" 1
580 1 33 TYR HB3 1 88 ILE MD 4.770 . 4.770 2.546 2.183 2.850 . 0 0 "[ . 1 . 2]" 1
581 1 33 TYR HB3 1 88 ILE MG 5.600 . 5.600 2.957 2.531 3.418 . 0 0 "[ . 1 . 2]" 1
582 1 33 TYR QD 1 34 VAL H 5.470 . 5.470 3.733 3.382 4.034 . 0 0 "[ . 1 . 2]" 1
583 1 33 TYR QD 1 35 VAL MG1 5.650 . 5.650 4.139 3.873 4.511 . 0 0 "[ . 1 . 2]" 1
584 1 33 TYR QD 1 52 VAL MG2 4.990 . 4.990 3.185 2.575 3.665 . 0 0 "[ . 1 . 2]" 1
585 1 33 TYR QD 1 53 ILE HA 5.160 . 5.160 3.194 2.651 4.041 . 0 0 "[ . 1 . 2]" 1
586 1 33 TYR QD 1 54 GLN H 5.790 . 5.790 3.648 3.229 3.978 . 0 0 "[ . 1 . 2]" 1
587 1 33 TYR QD 1 57 ILE MD 3.730 . 3.730 2.589 2.099 3.182 . 0 0 "[ . 1 . 2]" 1
588 1 33 TYR QD 1 65 LEU MD1 4.440 . 4.440 3.605 3.083 4.056 . 0 0 "[ . 1 . 2]" 1
589 1 33 TYR QD 1 88 ILE MD 4.300 . 4.300 2.898 2.620 3.173 . 0 0 "[ . 1 . 2]" 1
590 1 33 TYR QD 1 88 ILE MG 3.280 . 3.280 2.484 2.162 2.813 . 0 0 "[ . 1 . 2]" 1
591 1 33 TYR QD 1 91 ALA HA 4.400 . 4.400 2.486 2.114 2.829 . 0 0 "[ . 1 . 2]" 1
592 1 33 TYR QD 1 91 ALA MB 3.480 . 3.480 2.648 2.299 3.116 . 0 0 "[ . 1 . 2]" 1
593 1 33 TYR QE 1 54 GLN H 4.350 . 4.350 3.174 2.542 3.759 . 0 0 "[ . 1 . 2]" 1
594 1 33 TYR QE 1 54 GLN HA 3.500 . 3.500 2.203 1.669 3.164 . 0 0 "[ . 1 . 2]" 1
595 1 33 TYR QE 1 54 GLN QB 4.270 . 4.270 2.769 2.137 4.347 0.077 14 0 "[ . 1 . 2]" 1
596 1 33 TYR QE 1 54 GLN QG 5.570 . 5.570 2.948 2.312 4.159 . 0 0 "[ . 1 . 2]" 1
597 1 33 TYR QE 1 57 ILE MD 3.910 . 3.910 3.354 2.921 3.910 . 0 0 "[ . 1 . 2]" 1
598 1 33 TYR QE 1 64 THR HA 4.510 . 4.510 3.848 3.189 4.494 . 0 0 "[ . 1 . 2]" 1
599 1 33 TYR QE 1 64 THR MG 5.080 . 5.080 3.287 2.737 5.126 0.046 17 0 "[ . 1 . 2]" 1
600 1 33 TYR QE 1 65 LEU H 4.080 . 4.080 2.689 1.936 3.172 . 0 0 "[ . 1 . 2]" 1
601 1 33 TYR QE 1 65 LEU HB2 3.620 . 3.620 2.590 2.383 2.822 . 0 0 "[ . 1 . 2]" 1
602 1 33 TYR QE 1 65 LEU HB3 4.030 . 4.030 4.076 3.936 4.174 0.144 11 0 "[ . 1 . 2]" 1
603 1 33 TYR QE 1 65 LEU MD1 3.920 . 3.920 3.154 2.849 3.477 . 0 0 "[ . 1 . 2]" 1
604 1 33 TYR QE 1 88 ILE MD 5.470 . 5.470 3.888 3.627 4.194 . 0 0 "[ . 1 . 2]" 1
605 1 33 TYR QE 1 88 ILE MG 3.920 . 3.920 3.516 3.102 3.769 . 0 0 "[ . 1 . 2]" 1
606 1 33 TYR QE 1 91 ALA MB 3.160 . 3.160 2.385 2.110 2.784 . 0 0 "[ . 1 . 2]" 1
607 1 33 TYR HH 1 65 LEU H 5.900 . 5.900 2.354 2.022 2.716 . 0 0 "[ . 1 . 2]" 1
608 1 34 VAL H 1 34 VAL MG2 4.580 . 4.580 2.453 2.248 2.899 . 0 0 "[ . 1 . 2]" 1
609 1 34 VAL H 1 35 VAL MG1 5.530 . 5.530 3.996 3.738 4.218 . 0 0 "[ . 1 . 2]" 1
610 1 34 VAL H 1 89 ASP H 5.790 . 5.790 4.581 4.397 4.785 . 0 0 "[ . 1 . 2]" 1
611 1 34 VAL H 1 90 SER H 4.580 . 4.580 3.282 3.100 3.622 . 0 0 "[ . 1 . 2]" 1
612 1 34 VAL H 1 91 ALA HA 5.720 . 5.720 3.590 3.220 4.055 . 0 0 "[ . 1 . 2]" 1
613 1 34 VAL HA 1 35 VAL MG1 5.280 . 5.280 3.933 3.703 4.100 . 0 0 "[ . 1 . 2]" 1
614 1 34 VAL HB 1 89 ASP HB2 4.910 . 4.910 3.663 2.409 4.938 0.028 8 0 "[ . 1 . 2]" 1
615 1 34 VAL HB 1 89 ASP QB 4.130 . 4.130 2.755 2.388 3.153 . 0 0 "[ . 1 . 2]" 1
616 1 34 VAL HB 1 89 ASP HB3 4.910 . 4.910 3.514 2.555 4.549 . 0 0 "[ . 1 . 2]" 1
617 1 34 VAL HB 1 90 SER H 4.480 . 4.480 2.728 2.351 3.436 . 0 0 "[ . 1 . 2]" 1
618 1 34 VAL HB 1 90 SER QB 5.310 . 5.310 2.231 1.803 2.512 . 0 0 "[ . 1 . 2]" 1
619 1 34 VAL MG1 1 35 VAL H 4.460 . 4.460 3.085 2.665 3.251 . 0 0 "[ . 1 . 2]" 1
620 1 34 VAL MG1 1 35 VAL HA 5.520 . 5.520 4.020 3.798 4.251 . 0 0 "[ . 1 . 2]" 1
621 1 34 VAL MG1 1 48 HIS H 5.550 . 5.550 3.833 3.603 4.248 . 0 0 "[ . 1 . 2]" 1
622 1 34 VAL MG1 1 48 HIS HA 3.950 . 3.950 2.081 1.946 2.458 . 0 0 "[ . 1 . 2]" 1
623 1 34 VAL MG1 1 48 HIS HB2 4.700 . 4.700 3.921 3.651 4.265 . 0 0 "[ . 1 . 2]" 1
624 1 34 VAL MG1 1 48 HIS QB 4.140 . 4.140 2.669 2.293 3.143 . 0 0 "[ . 1 . 2]" 1
625 1 34 VAL MG1 1 48 HIS HB3 4.700 . 4.700 2.719 2.317 3.236 . 0 0 "[ . 1 . 2]" 1
626 1 34 VAL MG1 1 48 HIS HD2 3.890 . 3.890 3.481 2.305 4.095 0.205 8 0 "[ . 1 . 2]" 1
627 1 34 VAL MG1 1 49 HIS H 5.040 . 5.040 3.691 3.282 4.253 . 0 0 "[ . 1 . 2]" 1
628 1 34 VAL MG1 1 89 ASP HB2 4.590 . 4.590 2.873 2.021 3.664 . 0 0 "[ . 1 . 2]" 1
629 1 34 VAL MG1 1 89 ASP QB 4.000 . 4.000 2.245 1.998 2.620 . 0 0 "[ . 1 . 2]" 1
630 1 34 VAL MG1 1 89 ASP HB3 4.590 . 4.590 2.828 2.078 3.840 . 0 0 "[ . 1 . 2]" 1
631 1 34 VAL MG1 1 90 SER H 5.290 . 5.290 3.864 3.614 4.159 . 0 0 "[ . 1 . 2]" 1
632 1 34 VAL MG2 1 50 LYS HA 5.730 . 5.730 4.270 3.783 5.104 . 0 0 "[ . 1 . 2]" 1
633 1 34 VAL MG2 1 50 LYS QB 5.020 . 5.020 3.423 1.892 4.724 . 0 0 "[ . 1 . 2]" 1
634 1 34 VAL MG2 1 50 LYS HE2 4.980 . 4.980 3.529 1.981 5.089 0.109 5 0 "[ . 1 . 2]" 1
635 1 34 VAL MG2 1 50 LYS QE 4.380 . 4.380 3.127 1.938 4.387 0.007 16 0 "[ . 1 . 2]" 1
636 1 34 VAL MG2 1 50 LYS HE3 4.980 . 4.980 3.760 2.106 4.997 0.017 1 0 "[ . 1 . 2]" 1
637 1 34 VAL MG2 1 51 TRP HE3 5.590 . 5.590 3.809 3.359 4.633 . 0 0 "[ . 1 . 2]" 1
638 1 34 VAL MG2 1 51 TRP HZ3 4.260 . 4.260 2.803 2.312 3.870 . 0 0 "[ . 1 . 2]" 1
639 1 34 VAL MG2 1 90 SER H 5.810 . 5.810 4.132 3.705 4.913 . 0 0 "[ . 1 . 2]" 1
640 1 34 VAL MG2 1 90 SER QB 4.940 . 4.940 2.504 2.126 3.503 . 0 0 "[ . 1 . 2]" 1
641 1 35 VAL H 1 35 VAL MG1 4.570 . 4.570 2.983 2.852 3.203 . 0 0 "[ . 1 . 2]" 1
642 1 35 VAL H 1 35 VAL MG2 4.020 . 4.020 2.190 2.090 2.265 . 0 0 "[ . 1 . 2]" 1
643 1 35 VAL H 1 49 HIS H 5.200 . 5.200 3.437 2.997 3.783 . 0 0 "[ . 1 . 2]" 1
644 1 35 VAL H 1 49 HIS QB 5.450 . 5.450 3.312 2.840 3.834 . 0 0 "[ . 1 . 2]" 1
645 1 35 VAL HA 1 86 ALA MB 5.440 . 5.440 4.082 3.774 4.496 . 0 0 "[ . 1 . 2]" 1
646 1 35 VAL HA 1 87 GLU H 5.600 . 5.600 4.131 3.884 4.462 . 0 0 "[ . 1 . 2]" 1
647 1 35 VAL HA 1 88 ILE HA 4.870 . 4.870 2.813 2.617 3.101 . 0 0 "[ . 1 . 2]" 1
648 1 35 VAL HA 1 88 ILE MD 5.530 . 5.530 3.789 3.324 4.115 . 0 0 "[ . 1 . 2]" 1
649 1 35 VAL HA 1 88 ILE MG 6.300 . 6.300 4.482 4.174 4.807 . 0 0 "[ . 1 . 2]" 1
650 1 35 VAL HA 1 89 ASP H 4.560 . 4.560 2.482 1.792 2.886 . 0 0 "[ . 1 . 2]" 1
651 1 35 VAL HA 1 90 SER H 5.760 . 5.760 4.415 3.833 4.761 . 0 0 "[ . 1 . 2]" 1
652 1 35 VAL HB 1 36 SER H 4.460 . 4.460 2.696 2.368 2.984 . 0 0 "[ . 1 . 2]" 1
653 1 35 VAL HB 1 71 VAL MG2 5.660 . 5.660 4.211 3.680 4.922 . 0 0 "[ . 1 . 2]" 1
654 1 35 VAL HB 1 86 ALA MB 3.930 . 3.930 2.001 1.775 2.398 . 0 0 "[ . 1 . 2]" 1
655 1 35 VAL HB 1 88 ILE MD 5.250 . 5.250 3.966 3.685 4.187 . 0 0 "[ . 1 . 2]" 1
656 1 35 VAL MG1 1 36 SER H 5.250 . 5.250 3.702 3.454 3.898 . 0 0 "[ . 1 . 2]" 1
657 1 35 VAL MG1 1 52 VAL H 5.880 . 5.880 4.854 4.527 5.494 . 0 0 "[ . 1 . 2]" 1
658 1 35 VAL MG1 1 52 VAL HB 4.820 . 4.820 4.337 4.120 4.790 . 0 0 "[ . 1 . 2]" 1
659 1 35 VAL MG1 1 71 VAL MG2 4.500 . 4.500 2.992 2.521 3.523 . 0 0 "[ . 1 . 2]" 1
660 1 35 VAL MG1 1 73 LEU MD2 3.870 . 3.870 2.844 2.228 3.234 . 0 0 "[ . 1 . 2]" 1
661 1 35 VAL MG1 1 86 ALA MB 4.030 . 4.030 2.722 2.435 2.955 . 0 0 "[ . 1 . 2]" 1
662 1 35 VAL MG1 1 87 GLU H 5.550 . 5.550 4.159 3.763 4.424 . 0 0 "[ . 1 . 2]" 1
663 1 35 VAL MG1 1 88 ILE HA 4.250 . 4.250 2.446 1.933 2.882 . 0 0 "[ . 1 . 2]" 1
664 1 35 VAL MG1 1 88 ILE MD 3.580 . 3.580 1.834 1.759 2.034 . 0 0 "[ . 1 . 2]" 1
665 1 35 VAL MG1 1 89 ASP H 4.900 . 4.900 3.644 3.092 4.119 . 0 0 "[ . 1 . 2]" 1
666 1 35 VAL MG2 1 36 SER HA 5.430 . 5.430 3.935 3.632 4.109 . 0 0 "[ . 1 . 2]" 1
667 1 35 VAL MG2 1 37 TYR QD 3.500 . 3.500 2.314 2.167 2.523 . 0 0 "[ . 1 . 2]" 1
668 1 35 VAL MG2 1 37 TYR QE 4.360 . 4.360 2.503 1.967 2.931 . 0 0 "[ . 1 . 2]" 1
669 1 35 VAL MG2 1 49 HIS H 5.120 . 5.120 3.581 3.409 3.926 . 0 0 "[ . 1 . 2]" 1
670 1 35 VAL MG2 1 49 HIS HB2 4.900 . 4.900 3.553 3.201 4.086 . 0 0 "[ . 1 . 2]" 1
671 1 35 VAL MG2 1 49 HIS QB 4.060 . 4.060 2.210 1.915 2.605 . 0 0 "[ . 1 . 2]" 1
672 1 35 VAL MG2 1 49 HIS HB3 4.900 . 4.900 2.233 1.927 2.636 . 0 0 "[ . 1 . 2]" 1
673 1 35 VAL MG2 1 49 HIS HD2 4.590 . 4.590 2.966 2.334 3.834 . 0 0 "[ . 1 . 2]" 1
674 1 35 VAL MG2 1 73 LEU MD1 4.240 . 4.240 2.775 2.051 3.188 . 0 0 "[ . 1 . 2]" 1
675 1 35 VAL MG2 1 73 LEU MD2 4.130 . 4.130 2.705 2.209 3.275 . 0 0 "[ . 1 . 2]" 1
676 1 35 VAL MG2 1 86 ALA MB 3.650 . 3.650 2.844 2.492 3.077 . 0 0 "[ . 1 . 2]" 1
677 1 35 VAL MG2 1 87 GLU H 5.480 . 5.480 4.665 4.401 4.932 . 0 0 "[ . 1 . 2]" 1
678 1 35 VAL MG2 1 88 ILE MD 4.650 . 4.650 4.301 4.147 4.430 . 0 0 "[ . 1 . 2]" 1
679 1 36 SER H 1 37 TYR H 5.270 . 5.270 4.394 4.292 4.506 . 0 0 "[ . 1 . 2]" 1
680 1 36 SER H 1 86 ALA MB 4.890 . 4.890 3.634 2.806 4.362 . 0 0 "[ . 1 . 2]" 1
681 1 36 SER H 1 87 GLU H 4.620 . 4.620 2.579 2.183 2.908 . 0 0 "[ . 1 . 2]" 1
682 1 36 SER H 1 87 GLU QB 5.250 . 5.250 3.462 2.581 4.692 . 0 0 "[ . 1 . 2]" 1
683 1 36 SER H 1 88 ILE HA 6.250 . 6.250 4.254 3.994 4.466 . 0 0 "[ . 1 . 2]" 1
684 1 36 SER HA 1 47 ASP HA 4.740 . 4.740 2.504 1.772 3.816 . 0 0 "[ . 1 . 2]" 1
685 1 36 SER HA 1 48 HIS H 5.270 . 5.270 3.004 2.628 3.456 . 0 0 "[ . 1 . 2]" 1
686 1 36 SER HA 1 49 HIS H 5.550 . 5.550 3.485 3.117 3.875 . 0 0 "[ . 1 . 2]" 1
687 1 36 SER HA 1 86 ALA MB 5.630 . 5.630 4.964 4.533 5.625 . 0 0 "[ . 1 . 2]" 1
688 1 36 SER QB 1 45 ARG QG 5.500 . 5.500 4.215 3.327 5.599 0.099 8 0 "[ . 1 . 2]" 1
689 1 36 SER QB 1 47 ASP HA 4.390 . 4.390 2.610 2.199 3.091 . 0 0 "[ . 1 . 2]" 1
690 1 36 SER QB 1 48 HIS H 5.650 . 5.650 2.637 2.061 3.392 . 0 0 "[ . 1 . 2]" 1
691 1 36 SER QB 1 87 GLU QB 5.050 . 5.050 3.550 1.986 4.470 . 0 0 "[ . 1 . 2]" 1
692 1 37 TYR H 1 37 TYR QD 5.030 . 5.030 3.074 2.954 3.224 . 0 0 "[ . 1 . 2]" 1
693 1 37 TYR H 1 38 THR H 5.670 . 5.670 4.348 3.941 4.407 . 0 0 "[ . 1 . 2]" 1
694 1 37 TYR H 1 45 ARG QG 5.390 . 5.390 3.536 2.631 5.434 0.044 17 0 "[ . 1 . 2]" 1
695 1 37 TYR H 1 46 VAL H 5.530 . 5.530 3.645 3.346 4.307 . 0 0 "[ . 1 . 2]" 1
696 1 37 TYR H 1 46 VAL HB 4.780 . 4.780 3.639 3.101 4.147 . 0 0 "[ . 1 . 2]" 1
697 1 37 TYR H 1 46 VAL MG1 5.310 . 5.310 4.377 3.997 4.564 . 0 0 "[ . 1 . 2]" 1
698 1 37 TYR H 1 46 VAL MG2 6.060 . 6.060 4.826 4.442 5.292 . 0 0 "[ . 1 . 2]" 1
699 1 37 TYR HA 1 38 THR HB 5.500 . 5.500 4.766 4.631 4.850 . 0 0 "[ . 1 . 2]" 1
700 1 37 TYR HA 1 86 ALA HA 4.290 . 4.290 2.960 2.618 3.417 . 0 0 "[ . 1 . 2]" 1
701 1 37 TYR HA 1 86 ALA MB 4.970 . 4.970 4.213 3.835 4.762 . 0 0 "[ . 1 . 2]" 1
702 1 37 TYR QB 1 38 THR H 4.230 . 4.230 2.590 2.390 3.428 . 0 0 "[ . 1 . 2]" 1
703 1 37 TYR QB 1 84 ALA MB 4.250 . 4.250 2.711 2.235 3.420 . 0 0 "[ . 1 . 2]" 1
704 1 37 TYR QB 1 86 ALA HA 4.280 . 4.280 1.975 1.678 2.285 . 0 0 "[ . 1 . 2]" 1
705 1 37 TYR QB 1 86 ALA MB 3.990 . 3.990 2.343 2.068 2.803 . 0 0 "[ . 1 . 2]" 1
706 1 37 TYR QB 1 87 GLU H 5.350 . 5.350 3.579 3.156 3.888 . 0 0 "[ . 1 . 2]" 1
707 1 37 TYR HB2 1 38 THR H 5.030 . 5.030 2.635 2.419 3.577 . 0 0 "[ . 1 . 2]" 1
708 1 37 TYR HB2 1 73 LEU MD1 5.520 . 5.520 3.845 3.225 4.466 . 0 0 "[ . 1 . 2]" 1
709 1 37 TYR HB2 1 84 ALA MB 5.000 . 5.000 2.762 2.258 3.507 . 0 0 "[ . 1 . 2]" 1
710 1 37 TYR HB2 1 86 ALA HA 4.890 . 4.890 3.173 2.737 3.441 . 0 0 "[ . 1 . 2]" 1
711 1 37 TYR HB2 1 86 ALA MB 4.690 . 4.690 3.447 3.136 3.805 . 0 0 "[ . 1 . 2]" 1
712 1 37 TYR HB2 1 87 GLU H 6.080 . 6.080 5.138 4.683 5.515 . 0 0 "[ . 1 . 2]" 1
713 1 37 TYR HB3 1 38 THR H 5.030 . 5.030 3.851 3.690 4.397 . 0 0 "[ . 1 . 2]" 1
714 1 37 TYR HB3 1 73 LEU MD1 5.520 . 5.520 3.474 2.849 4.021 . 0 0 "[ . 1 . 2]" 1
715 1 37 TYR HB3 1 84 ALA MB 5.000 . 5.000 3.977 3.553 4.750 . 0 0 "[ . 1 . 2]" 1
716 1 37 TYR HB3 1 86 ALA HA 4.890 . 4.890 1.996 1.686 2.324 . 0 0 "[ . 1 . 2]" 1
717 1 37 TYR HB3 1 86 ALA MB 4.690 . 4.690 2.386 2.093 2.886 . 0 0 "[ . 1 . 2]" 1
718 1 37 TYR HB3 1 87 GLU H 6.080 . 6.080 3.653 3.199 3.987 . 0 0 "[ . 1 . 2]" 1
719 1 37 TYR QD 1 38 THR H 4.240 . 4.240 3.692 3.423 4.548 0.308 15 0 "[ . 1 . 2]" 1
720 1 37 TYR QD 1 39 PRO HA 3.980 . 3.980 3.133 2.731 3.641 . 0 0 "[ . 1 . 2]" 1
721 1 37 TYR QD 1 46 VAL MG1 4.260 . 4.260 4.289 4.080 4.408 0.148 5 0 "[ . 1 . 2]" 1
722 1 37 TYR QD 1 46 VAL MG2 5.420 . 5.420 4.116 3.585 4.612 . 0 0 "[ . 1 . 2]" 1
723 1 37 TYR QD 1 73 LEU MD1 4.220 . 4.220 3.061 2.705 3.540 . 0 0 "[ . 1 . 2]" 1
724 1 37 TYR QD 1 81 MET HA 4.470 . 4.470 3.766 3.300 4.164 . 0 0 "[ . 1 . 2]" 1
725 1 37 TYR QD 1 84 ALA MB 3.360 . 3.360 2.746 2.193 3.206 . 0 0 "[ . 1 . 2]" 1
726 1 37 TYR QD 1 86 ALA HA 5.200 . 5.200 3.866 3.432 4.214 . 0 0 "[ . 1 . 2]" 1
727 1 37 TYR QD 1 86 ALA MB 4.180 . 4.180 3.068 2.525 3.430 . 0 0 "[ . 1 . 2]" 1
728 1 37 TYR QE 1 39 PRO HA 4.170 . 4.170 3.798 3.030 4.252 0.082 14 0 "[ . 1 . 2]" 1
729 1 37 TYR QE 1 39 PRO QB 4.430 . 4.430 3.542 2.573 4.463 0.033 12 0 "[ . 1 . 2]" 1
730 1 37 TYR QE 1 39 PRO QG 4.610 . 4.610 3.400 2.145 4.611 0.001 17 0 "[ . 1 . 2]" 1
731 1 37 TYR QE 1 46 VAL HB 5.730 . 5.730 3.272 3.082 3.512 . 0 0 "[ . 1 . 2]" 1
732 1 37 TYR QE 1 46 VAL MG1 4.220 . 4.220 3.226 2.998 3.374 . 0 0 "[ . 1 . 2]" 1
733 1 37 TYR QE 1 46 VAL MG2 5.200 . 5.200 3.188 2.633 3.798 . 0 0 "[ . 1 . 2]" 1
734 1 37 TYR QE 1 78 MET ME 5.160 . 5.160 3.012 2.063 4.032 . 0 0 "[ . 1 . 2]" 1
735 1 37 TYR QE 1 81 MET HA 4.220 . 4.220 3.073 2.561 3.617 . 0 0 "[ . 1 . 2]" 1
736 1 37 TYR QE 1 81 MET ME 4.210 . 4.210 3.042 2.765 3.370 . 0 0 "[ . 1 . 2]" 1
737 1 37 TYR QE 1 84 ALA MB 5.410 . 5.410 3.960 3.486 4.349 . 0 0 "[ . 1 . 2]" 1
738 1 38 THR H 1 38 THR HB 4.020 . 4.020 2.667 2.572 2.769 . 0 0 "[ . 1 . 2]" 1
739 1 38 THR H 1 84 ALA MB 5.380 . 5.380 3.764 3.234 5.191 . 0 0 "[ . 1 . 2]" 1
740 1 38 THR H 1 86 ALA HA 5.570 . 5.570 4.631 4.216 5.378 . 0 0 "[ . 1 . 2]" 1
741 1 38 THR H 1 86 ALA MB 5.970 . 5.970 5.417 5.051 5.997 0.027 15 0 "[ . 1 . 2]" 1
742 1 38 THR HA 1 39 PRO HD3 4.240 . 4.240 2.497 2.050 2.829 . 0 0 "[ . 1 . 2]" 1
743 1 38 THR HA 1 39 PRO QG 5.210 . 5.210 3.901 3.747 4.009 . 0 0 "[ . 1 . 2]" 1
744 1 38 THR HA 1 45 ARG HA 4.380 . 4.380 2.131 1.799 2.539 . 0 0 "[ . 1 . 2]" 1
745 1 38 THR HA 1 45 ARG QG 5.400 . 5.400 3.166 2.405 5.063 . 0 0 "[ . 1 . 2]" 1
746 1 38 THR HA 1 46 VAL H 5.200 . 5.200 3.170 2.736 3.657 . 0 0 "[ . 1 . 2]" 1
747 1 38 THR HA 1 46 VAL MG2 5.290 . 5.290 4.327 3.934 4.928 . 0 0 "[ . 1 . 2]" 1
748 1 38 THR HB 1 39 PRO HD3 5.500 . 5.500 5.177 4.856 5.429 . 0 0 "[ . 1 . 2]" 1
749 1 38 THR MG 1 39 PRO HD2 4.360 . 4.360 2.849 2.557 3.087 . 0 0 "[ . 1 . 2]" 1
750 1 38 THR MG 1 39 PRO HD3 4.030 . 4.030 3.949 3.547 4.153 0.123 10 0 "[ . 1 . 2]" 1
751 1 38 THR MG 1 39 PRO QG 4.860 . 4.860 3.954 3.287 4.588 . 0 0 "[ . 1 . 2]" 1
752 1 38 THR MG 1 44 GLN HA 5.580 . 5.580 4.592 3.918 5.298 . 0 0 "[ . 1 . 2]" 1
753 1 38 THR MG 1 45 ARG H 5.640 . 5.640 3.737 3.256 4.796 . 0 0 "[ . 1 . 2]" 1
754 1 38 THR MG 1 45 ARG HA 4.540 . 4.540 3.121 2.783 3.586 . 0 0 "[ . 1 . 2]" 1
755 1 38 THR MG 1 45 ARG QB 4.680 . 4.680 3.036 2.621 3.461 . 0 0 "[ . 1 . 2]" 1
756 1 39 PRO HA 1 40 THR MG 5.180 . 5.180 3.676 3.519 3.923 . 0 0 "[ . 1 . 2]" 1
757 1 39 PRO HA 1 84 ALA MB 4.790 . 4.790 2.739 1.887 3.465 . 0 0 "[ . 1 . 2]" 1
758 1 39 PRO QB 1 41 ASN H 5.130 . 5.130 2.982 2.508 3.402 . 0 0 "[ . 1 . 2]" 1
759 1 39 PRO QB 1 42 GLY H 5.610 . 5.610 3.687 2.829 4.373 . 0 0 "[ . 1 . 2]" 1
760 1 39 PRO QB 1 80 GLY QA 4.400 . 4.400 2.999 2.381 3.561 . 0 0 "[ . 1 . 2]" 1
761 1 39 PRO HB2 1 45 ARG HA 6.300 . 6.300 6.059 5.471 6.451 0.151 14 0 "[ . 1 . 2]" 1
762 1 39 PRO HB3 1 45 ARG HA 6.300 . 6.300 6.208 5.861 6.496 0.196 20 0 "[ . 1 . 2]" 1
763 1 39 PRO HD2 1 45 ARG HA 4.640 . 4.640 2.520 2.187 3.163 . 0 0 "[ . 1 . 2]" 1
764 1 39 PRO HD2 1 45 ARG QG 6.290 . 6.290 4.591 4.035 5.688 . 0 0 "[ . 1 . 2]" 1
765 1 39 PRO HD2 1 46 VAL H 5.210 . 5.210 3.345 2.644 4.021 . 0 0 "[ . 1 . 2]" 1
766 1 39 PRO HD2 1 46 VAL MG2 5.290 . 5.290 3.433 2.945 4.162 . 0 0 "[ . 1 . 2]" 1
767 1 39 PRO HD3 1 45 ARG HA 4.890 . 4.890 2.993 2.415 3.660 . 0 0 "[ . 1 . 2]" 1
768 1 39 PRO HD3 1 46 VAL H 5.320 . 5.320 2.654 2.201 3.199 . 0 0 "[ . 1 . 2]" 1
769 1 39 PRO HD3 1 46 VAL MG2 5.040 . 5.040 2.585 2.108 3.299 . 0 0 "[ . 1 . 2]" 1
770 1 39 PRO HD3 1 78 MET ME 5.670 . 5.670 4.667 3.501 5.757 0.087 20 0 "[ . 1 . 2]" 1
771 1 39 PRO QG 1 43 GLY H 5.490 . 5.490 3.423 2.425 4.582 . 0 0 "[ . 1 . 2]" 1
772 1 39 PRO QG 1 43 GLY QA 4.990 . 4.990 3.240 2.165 5.006 0.016 20 0 "[ . 1 . 2]" 1
773 1 39 PRO QG 1 46 VAL MG2 4.120 . 4.120 2.687 2.302 3.152 . 0 0 "[ . 1 . 2]" 1
774 1 40 THR H 1 40 THR MG 3.840 . 3.840 2.182 2.081 2.369 . 0 0 "[ . 1 . 2]" 1
775 1 40 THR H 1 41 ASN H 5.400 . 5.400 2.771 2.671 2.880 . 0 0 "[ . 1 . 2]" 1
776 1 40 THR H 1 80 GLY HA2 5.520 . 5.520 3.684 2.104 4.891 . 0 0 "[ . 1 . 2]" 1
777 1 40 THR H 1 80 GLY QA 4.770 . 4.770 2.964 2.004 4.332 . 0 0 "[ . 1 . 2]" 1
778 1 40 THR H 1 80 GLY HA3 5.520 . 5.520 3.182 2.253 5.025 . 0 0 "[ . 1 . 2]" 1
779 1 40 THR H 1 84 ALA MB 5.190 . 5.190 2.823 2.328 3.261 . 0 0 "[ . 1 . 2]" 1
780 1 40 THR MG 1 41 ASN H 5.750 . 5.750 4.097 2.763 4.315 . 0 0 "[ . 1 . 2]" 1
781 1 40 THR MG 1 83 GLY HA3 6.060 . 6.060 3.629 2.434 4.860 . 0 0 "[ . 1 . 2]" 1
782 1 40 THR MG 1 84 ALA H 4.710 . 4.710 3.478 2.906 4.155 . 0 0 "[ . 1 . 2]" 1
783 1 40 THR MG 1 84 ALA HA 3.900 . 3.900 2.428 1.831 3.253 . 0 0 "[ . 1 . 2]" 1
784 1 40 THR MG 1 84 ALA MB 3.690 . 3.690 2.408 2.092 3.254 . 0 0 "[ . 1 . 2]" 1
785 1 40 THR MG 1 85 THR H 5.300 . 5.300 3.895 2.975 5.021 . 0 0 "[ . 1 . 2]" 1
786 1 41 ASN H 1 80 GLY QA 5.620 . 5.620 2.469 1.892 3.312 . 0 0 "[ . 1 . 2]" 1
787 1 42 GLY QA 1 43 GLY QA 5.290 . 5.290 3.817 3.753 3.875 . 0 0 "[ . 1 . 2]" 1
788 1 44 GLN H 1 44 GLN QB 3.740 . 3.740 2.484 2.239 2.954 . 0 0 "[ . 1 . 2]" 1
789 1 44 GLN H 1 44 GLN QG 4.760 . 4.760 3.067 1.967 4.079 . 0 0 "[ . 1 . 2]" 1
790 1 44 GLN HA 1 45 ARG H 3.510 . 3.510 2.225 2.167 2.545 . 0 0 "[ . 1 . 2]" 1
791 1 44 GLN HA 1 45 ARG QB 5.390 . 5.390 4.143 4.036 4.381 . 0 0 "[ . 1 . 2]" 1
792 1 44 GLN QB 1 45 ARG H 4.250 . 4.250 3.414 2.022 3.946 . 0 0 "[ . 1 . 2]" 1
793 1 44 GLN QG 1 45 ARG H 5.020 . 5.020 3.746 2.653 4.892 . 0 0 "[ . 1 . 2]" 1
794 1 45 ARG H 1 45 ARG QB 3.740 . 3.740 2.267 2.100 2.603 . 0 0 "[ . 1 . 2]" 1
795 1 45 ARG H 1 45 ARG QD 5.930 . 5.930 4.713 3.967 5.174 . 0 0 "[ . 1 . 2]" 1
796 1 45 ARG H 1 45 ARG QG 4.950 . 4.950 3.934 2.437 4.170 . 0 0 "[ . 1 . 2]" 1
797 1 45 ARG H 1 46 VAL H 6.130 . 6.130 4.487 4.323 4.612 . 0 0 "[ . 1 . 2]" 1
798 1 45 ARG HA 1 46 VAL MG2 4.870 . 4.870 3.575 3.412 3.791 . 0 0 "[ . 1 . 2]" 1
799 1 45 ARG QB 1 46 VAL H 5.190 . 5.190 3.803 3.073 3.991 . 0 0 "[ . 1 . 2]" 1
800 1 45 ARG QD 1 47 ASP HA 4.780 . 4.780 4.529 3.539 4.979 0.199 7 0 "[ . 1 . 2]" 1
801 1 45 ARG QG 1 46 VAL H 4.490 . 4.490 3.122 2.657 3.895 . 0 0 "[ . 1 . 2]" 1
802 1 45 ARG QG 1 46 VAL HA 6.300 . 6.300 4.319 4.000 5.591 . 0 0 "[ . 1 . 2]" 1
803 1 45 ARG QG 1 47 ASP H 6.170 . 6.170 4.255 2.676 6.283 0.113 8 0 "[ . 1 . 2]" 1
804 1 46 VAL H 1 46 VAL MG2 4.230 . 4.230 2.260 2.037 2.567 . 0 0 "[ . 1 . 2]" 1
805 1 46 VAL H 1 47 ASP H 6.300 . 6.300 4.326 3.829 4.459 . 0 0 "[ . 1 . 2]" 1
806 1 46 VAL HA 1 46 VAL MG2 3.730 . 3.730 2.488 2.412 2.572 . 0 0 "[ . 1 . 2]" 1
807 1 46 VAL HA 1 47 ASP H 3.530 . 3.530 2.185 2.131 2.473 . 0 0 "[ . 1 . 2]" 1
808 1 46 VAL HA 1 47 ASP QB 5.310 . 5.310 4.411 4.081 4.771 . 0 0 "[ . 1 . 2]" 1
809 1 46 VAL HA 1 78 MET ME 6.300 . 6.300 4.928 4.548 5.246 . 0 0 "[ . 1 . 2]" 1
810 1 46 VAL MG1 1 47 ASP H 4.550 . 4.550 3.161 2.887 3.883 . 0 0 "[ . 1 . 2]" 1
811 1 46 VAL MG1 1 49 HIS H 5.340 . 5.340 3.438 3.041 3.855 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL MG1 1 49 HIS HA 5.190 . 5.190 3.222 2.737 3.641 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL MG1 1 49 HIS QB 3.960 . 3.960 1.919 1.726 2.072 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL MG1 1 78 MET ME 4.010 . 4.010 2.634 1.861 3.607 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL MG1 1 81 MET ME 5.220 . 5.220 4.770 4.322 5.112 . 0 0 "[ . 1 . 2]" 1
816 1 46 VAL MG2 1 47 ASP H 5.160 . 5.160 4.272 4.134 4.436 . 0 0 "[ . 1 . 2]" 1
817 1 46 VAL MG2 1 78 MET ME 4.150 . 4.150 2.021 1.601 2.630 . 0 0 "[ . 1 . 2]" 1
818 1 47 ASP HA 1 49 HIS H 5.740 . 5.740 3.831 3.387 5.019 . 0 0 "[ . 1 . 2]" 1
819 1 47 ASP QB 1 48 HIS HD2 4.570 . 4.570 3.881 2.296 4.830 0.260 18 0 "[ . 1 . 2]" 1
820 1 47 ASP HB2 1 48 HIS H 6.020 . 6.020 3.644 2.464 4.482 . 0 0 "[ . 1 . 2]" 1
821 1 47 ASP HB3 1 48 HIS H 6.020 . 6.020 3.588 2.740 4.340 . 0 0 "[ . 1 . 2]" 1
822 1 48 HIS H 1 49 HIS H 5.420 . 5.420 2.846 2.722 3.225 . 0 0 "[ . 1 . 2]" 1
823 1 48 HIS HD2 1 89 ASP QB 4.440 . 4.440 3.435 2.332 4.249 . 0 0 "[ . 1 . 2]" 1
824 1 49 HIS QB 1 78 MET ME 4.760 . 4.760 4.407 3.718 4.865 0.105 12 0 "[ . 1 . 2]" 1
825 1 49 HIS HD2 1 52 VAL MG1 4.170 . 4.170 2.118 1.664 2.660 . 0 0 "[ . 1 . 2]" 1
826 1 49 HIS HD2 1 52 VAL MG2 4.670 . 4.670 3.584 2.948 4.366 . 0 0 "[ . 1 . 2]" 1
827 1 49 HIS HD2 1 73 LEU MD2 6.300 . 6.300 5.167 4.439 5.919 . 0 0 "[ . 1 . 2]" 1
828 1 49 HIS HD2 1 81 MET ME 4.400 . 4.400 2.982 2.554 3.653 . 0 0 "[ . 1 . 2]" 1
829 1 49 HIS HE1 1 78 MET ME 4.090 . 4.090 3.022 1.955 4.114 0.024 3 0 "[ . 1 . 2]" 1
830 1 49 HIS HE1 1 81 MET ME 4.730 . 4.730 3.761 3.241 4.412 . 0 0 "[ . 1 . 2]" 1
831 1 50 LYS HA 1 51 TRP HA 4.060 . 4.060 1.777 1.627 2.048 . 0 0 "[ . 1 . 2]" 1
832 1 50 LYS HA 1 52 VAL H 5.990 . 5.990 3.206 2.653 3.727 . 0 0 "[ . 1 . 2]" 1
833 1 50 LYS QD 1 51 TRP HZ2 4.130 . 4.130 2.946 2.812 3.291 . 0 0 "[ . 1 . 2]" 1
834 1 50 LYS QE 1 51 TRP HH2 5.330 . 5.330 4.349 3.015 5.505 0.175 16 0 "[ . 1 . 2]" 1
835 1 50 LYS QE 1 51 TRP HZ2 4.380 . 4.380 3.953 3.160 4.491 0.111 9 0 "[ . 1 . 2]" 1
836 1 51 TRP H 1 52 VAL H 5.830 . 5.830 4.454 4.393 4.508 . 0 0 "[ . 1 . 2]" 1
837 1 51 TRP QB 1 52 VAL H 4.510 . 4.510 2.906 2.487 3.285 . 0 0 "[ . 1 . 2]" 1
838 1 51 TRP QB 1 94 THR MG 6.100 . 6.100 4.443 4.029 4.944 . 0 0 "[ . 1 . 2]" 1
839 1 51 TRP QB 1 96 VAL MG1 5.000 . 5.000 2.857 2.406 3.198 . 0 0 "[ . 1 . 2]" 1
840 1 51 TRP HB2 1 52 VAL H 5.330 . 5.330 4.038 3.692 4.260 . 0 0 "[ . 1 . 2]" 1
841 1 51 TRP HB3 1 52 VAL H 5.330 . 5.330 2.983 2.528 3.417 . 0 0 "[ . 1 . 2]" 1
842 1 51 TRP HD1 1 116 VAL HA 5.180 . 5.180 2.803 2.203 3.373 . 0 0 "[ . 1 . 2]" 1
843 1 51 TRP HE3 1 52 VAL H 5.670 . 5.670 3.529 3.159 4.034 . 0 0 "[ . 1 . 2]" 1
844 1 51 TRP HH2 1 92 GLU QG 5.540 . 5.540 3.358 1.839 4.976 . 0 0 "[ . 1 . 2]" 1
845 1 51 TRP HZ2 1 117 THR MG 4.430 . 4.430 3.228 2.743 3.702 . 0 0 "[ . 1 . 2]" 1
846 1 52 VAL H 1 52 VAL MG2 4.550 . 4.550 2.249 2.170 2.391 . 0 0 "[ . 1 . 2]" 1
847 1 52 VAL HA 1 115 TRP HD1 4.050 . 4.050 2.790 2.095 3.616 . 0 0 "[ . 1 . 2]" 1
848 1 52 VAL HB 1 53 ILE H 5.060 . 5.060 2.949 2.588 3.162 . 0 0 "[ . 1 . 2]" 1
849 1 52 VAL HB 1 53 ILE HA 5.680 . 5.680 4.791 4.526 4.985 . 0 0 "[ . 1 . 2]" 1
850 1 52 VAL HB 1 56 GLU QB 4.730 . 4.730 2.961 2.156 3.559 . 0 0 "[ . 1 . 2]" 1
851 1 52 VAL HB 1 57 ILE H 6.300 . 6.300 5.523 5.112 6.019 . 0 0 "[ . 1 . 2]" 1
852 1 52 VAL HB 1 57 ILE MD 4.970 . 4.970 3.461 2.629 4.132 . 0 0 "[ . 1 . 2]" 1
853 1 52 VAL HB 1 57 ILE QG 5.390 . 5.390 3.368 2.792 4.341 . 0 0 "[ . 1 . 2]" 1
854 1 52 VAL HB 1 73 LEU MD2 5.150 . 5.150 3.451 2.794 4.043 . 0 0 "[ . 1 . 2]" 1
855 1 52 VAL MG1 1 53 ILE H 4.850 . 4.850 3.901 3.768 4.052 . 0 0 "[ . 1 . 2]" 1
856 1 52 VAL MG1 1 56 GLU QB 4.330 . 4.330 3.773 2.818 4.343 0.013 2 0 "[ . 1 . 2]" 1
857 1 52 VAL MG1 1 56 GLU QG 5.780 . 5.780 3.325 2.056 4.943 . 0 0 "[ . 1 . 2]" 1
858 1 52 VAL MG1 1 57 ILE MD 4.440 . 4.440 4.211 3.655 4.534 0.094 7 0 "[ . 1 . 2]" 1
859 1 52 VAL MG1 1 57 ILE QG 4.730 . 4.730 4.217 3.842 4.832 0.102 11 0 "[ . 1 . 2]" 1
860 1 52 VAL MG1 1 73 LEU HB2 6.300 . 6.300 5.669 5.003 6.117 . 0 0 "[ . 1 . 2]" 1
861 1 52 VAL MG1 1 73 LEU HB3 6.050 . 6.050 4.535 3.927 5.023 . 0 0 "[ . 1 . 2]" 1
862 1 52 VAL MG1 1 73 LEU MD1 4.500 . 4.500 3.182 2.518 3.523 . 0 0 "[ . 1 . 2]" 1
863 1 52 VAL MG1 1 73 LEU MD2 3.680 . 3.680 2.823 2.409 3.217 . 0 0 "[ . 1 . 2]" 1
864 1 52 VAL MG1 1 77 HIS HE1 4.690 . 4.690 3.533 1.967 4.758 0.068 13 0 "[ . 1 . 2]" 1
865 1 52 VAL MG1 1 81 MET ME 3.990 . 3.990 2.410 2.114 2.664 . 0 0 "[ . 1 . 2]" 1
866 1 52 VAL MG1 1 81 MET QG 5.110 . 5.110 4.529 4.116 4.906 . 0 0 "[ . 1 . 2]" 1
867 1 52 VAL MG2 1 57 ILE MD 4.140 . 4.140 2.501 1.988 2.970 . 0 0 "[ . 1 . 2]" 1
868 1 52 VAL MG2 1 57 ILE QG 4.820 . 4.820 3.387 3.024 3.774 . 0 0 "[ . 1 . 2]" 1
869 1 52 VAL MG2 1 73 LEU MD1 4.450 . 4.450 4.153 3.765 4.425 . 0 0 "[ . 1 . 2]" 1
870 1 52 VAL MG2 1 73 LEU MD2 4.270 . 4.270 3.041 2.683 3.584 . 0 0 "[ . 1 . 2]" 1
871 1 53 ILE H 1 53 ILE QG 5.000 . 5.000 2.198 2.019 2.403 . 0 0 "[ . 1 . 2]" 1
872 1 53 ILE H 1 56 GLU HB2 5.850 . 5.850 2.775 1.932 3.432 . 0 0 "[ . 1 . 2]" 1
873 1 53 ILE H 1 56 GLU QB 5.110 . 5.110 2.361 1.869 3.002 . 0 0 "[ . 1 . 2]" 1
874 1 53 ILE H 1 56 GLU HB3 5.850 . 5.850 3.050 1.983 4.571 . 0 0 "[ . 1 . 2]" 1
875 1 53 ILE HA 1 57 ILE MD 6.300 . 6.300 4.707 3.990 5.466 . 0 0 "[ . 1 . 2]" 1
876 1 53 ILE HB 1 54 GLN H 4.540 . 4.540 2.348 2.066 2.637 . 0 0 "[ . 1 . 2]" 1
877 1 53 ILE HB 1 55 GLU H 4.740 . 4.740 3.217 2.734 3.627 . 0 0 "[ . 1 . 2]" 1
878 1 53 ILE MD 1 53 ILE MG 3.790 . 3.790 2.032 1.983 2.067 . 0 0 "[ . 1 . 2]" 1
879 1 53 ILE MD 1 54 GLN H 6.050 . 6.050 4.199 3.652 4.584 . 0 0 "[ . 1 . 2]" 1
880 1 53 ILE MD 1 55 GLU H 5.170 . 5.170 3.195 2.930 3.594 . 0 0 "[ . 1 . 2]" 1
881 1 53 ILE MD 1 55 GLU QB 4.360 . 4.360 2.579 2.061 4.206 . 0 0 "[ . 1 . 2]" 1
882 1 53 ILE MD 1 55 GLU HG2 5.370 . 5.370 3.747 2.474 5.000 . 0 0 "[ . 1 . 2]" 1
883 1 53 ILE MD 1 55 GLU HG3 5.370 . 5.370 4.081 2.399 5.265 . 0 0 "[ . 1 . 2]" 1
884 1 53 ILE MD 1 56 GLU H 5.540 . 5.540 3.941 3.432 4.603 . 0 0 "[ . 1 . 2]" 1
885 1 53 ILE MD 1 56 GLU QG 5.570 . 5.570 4.554 2.651 5.380 . 0 0 "[ . 1 . 2]" 1
886 1 53 ILE MD 1 115 TRP HD1 4.510 . 4.510 4.491 3.942 4.727 0.217 3 0 "[ . 1 . 2]" 1
887 1 53 ILE MD 1 115 TRP HE1 6.060 . 6.060 2.969 2.479 3.576 . 0 0 "[ . 1 . 2]" 1
888 1 53 ILE MD 1 115 TRP HH2 4.560 . 4.560 3.704 3.184 4.124 . 0 0 "[ . 1 . 2]" 1
889 1 53 ILE MD 1 115 TRP HZ2 3.750 . 3.750 2.478 2.173 2.657 . 0 0 "[ . 1 . 2]" 1
890 1 53 ILE QG 1 55 GLU H 4.870 . 4.870 2.250 1.580 2.846 . 0 0 "[ . 1 . 2]" 1
891 1 53 ILE QG 1 55 GLU QB 5.250 . 5.250 2.733 2.217 4.188 . 0 0 "[ . 1 . 2]" 1
892 1 53 ILE QG 1 56 GLU H 4.460 . 4.460 2.407 1.922 3.089 . 0 0 "[ . 1 . 2]" 1
893 1 53 ILE QG 1 56 GLU QB 4.350 . 4.350 2.582 1.914 4.036 . 0 0 "[ . 1 . 2]" 1
894 1 53 ILE QG 1 56 GLU QG 5.680 . 5.680 3.586 2.023 4.231 . 0 0 "[ . 1 . 2]" 1
895 1 53 ILE QG 1 57 ILE H 5.450 . 5.450 4.513 3.872 5.197 . 0 0 "[ . 1 . 2]" 1
896 1 53 ILE QG 1 57 ILE QG 5.890 . 5.890 4.987 4.443 6.236 0.346 11 0 "[ . 1 . 2]" 1
897 1 53 ILE QG 1 115 TRP HE1 5.240 . 5.240 2.600 2.122 3.178 . 0 0 "[ . 1 . 2]" 1
898 1 53 ILE HG12 1 56 GLU H 5.190 . 5.190 3.531 3.149 3.942 . 0 0 "[ . 1 . 2]" 1
899 1 53 ILE HG13 1 56 GLU H 5.190 . 5.190 2.459 1.937 3.256 . 0 0 "[ . 1 . 2]" 1
900 1 53 ILE MG 1 54 GLN H 5.150 . 5.150 3.694 3.578 3.804 . 0 0 "[ . 1 . 2]" 1
901 1 53 ILE MG 1 94 THR MG 6.080 . 6.080 4.662 3.985 5.333 . 0 0 "[ . 1 . 2]" 1
902 1 53 ILE MG 1 96 VAL HB 5.330 . 5.330 3.799 3.327 4.418 . 0 0 "[ . 1 . 2]" 1
903 1 53 ILE MG 1 96 VAL MG1 3.790 . 3.790 2.776 2.170 3.138 . 0 0 "[ . 1 . 2]" 1
904 1 53 ILE MG 1 96 VAL MG2 3.990 . 3.990 2.026 1.692 2.516 . 0 0 "[ . 1 . 2]" 1
905 1 53 ILE MG 1 115 TRP QB 5.720 . 5.720 3.423 2.978 3.933 . 0 0 "[ . 1 . 2]" 1
906 1 53 ILE MG 1 115 TRP HD1 4.380 . 4.380 3.098 2.709 3.742 . 0 0 "[ . 1 . 2]" 1
907 1 53 ILE MG 1 115 TRP HE1 5.690 . 5.690 3.229 2.615 4.057 . 0 0 "[ . 1 . 2]" 1
908 1 53 ILE MG 1 115 TRP HZ2 6.260 . 6.260 4.161 3.516 4.906 . 0 0 "[ . 1 . 2]" 1
909 1 54 GLN H 1 55 GLU H 5.590 . 5.590 3.029 2.899 3.248 . 0 0 "[ . 1 . 2]" 1
910 1 54 GLN H 1 57 ILE MD 6.300 . 6.300 4.846 4.200 5.451 . 0 0 "[ . 1 . 2]" 1
911 1 54 GLN HA 1 57 ILE H 5.970 . 5.970 3.969 3.536 4.464 . 0 0 "[ . 1 . 2]" 1
912 1 54 GLN HA 1 57 ILE HB 5.840 . 5.840 3.486 3.030 4.058 . 0 0 "[ . 1 . 2]" 1
913 1 54 GLN HA 1 57 ILE MD 4.800 . 4.800 3.384 2.558 3.981 . 0 0 "[ . 1 . 2]" 1
914 1 54 GLN HA 1 60 ALA MB 4.990 . 4.990 3.092 2.469 3.596 . 0 0 "[ . 1 . 2]" 1
915 1 54 GLN QB 1 60 ALA MB 5.280 . 5.280 3.754 3.182 4.207 . 0 0 "[ . 1 . 2]" 1
916 1 54 GLN QB 1 65 LEU MD1 5.600 . 5.600 4.982 4.322 5.711 0.111 14 0 "[ . 1 . 2]" 1
917 1 54 GLN HB2 1 55 GLU H 5.510 . 5.510 3.784 2.605 4.084 . 0 0 "[ . 1 . 2]" 1
918 1 54 GLN HB3 1 55 GLU H 5.510 . 5.510 2.876 2.431 3.630 . 0 0 "[ . 1 . 2]" 1
919 1 54 GLN QE 1 60 ALA MB 4.150 . 4.150 3.051 2.036 3.718 . 0 0 "[ . 1 . 2]" 1
920 1 54 GLN QE 1 62 ASP QB 5.860 . 5.860 4.293 3.616 5.838 . 0 0 "[ . 1 . 2]" 1
921 1 54 GLN QE 1 63 LYS H 4.530 . 4.530 3.094 2.338 4.483 . 0 0 "[ . 1 . 2]" 1
922 1 54 GLN QE 1 64 THR HA 4.960 . 4.960 3.541 2.327 4.421 . 0 0 "[ . 1 . 2]" 1
923 1 54 GLN QE 1 65 LEU MD1 5.330 . 5.330 4.613 3.601 5.238 . 0 0 "[ . 1 . 2]" 1
924 1 54 GLN QE 1 65 LEU MD2 5.940 . 5.940 4.746 4.076 5.359 . 0 0 "[ . 1 . 2]" 1
925 1 54 GLN HE21 1 60 ALA MB 4.850 . 4.850 3.307 2.129 3.854 . 0 0 "[ . 1 . 2]" 1
926 1 54 GLN HE21 1 63 LYS H 5.300 . 5.300 3.545 2.590 5.255 . 0 0 "[ . 1 . 2]" 1
927 1 54 GLN HE22 1 60 ALA MB 4.850 . 4.850 4.055 2.393 4.947 0.097 18 0 "[ . 1 . 2]" 1
928 1 54 GLN HE22 1 63 LYS H 5.300 . 5.300 3.674 2.374 4.947 . 0 0 "[ . 1 . 2]" 1
929 1 54 GLN QG 1 55 GLU H 5.940 . 5.940 3.960 3.462 4.609 . 0 0 "[ . 1 . 2]" 1
930 1 54 GLN QG 1 60 ALA MB 4.120 . 4.120 2.423 1.771 3.956 . 0 0 "[ . 1 . 2]" 1
931 1 54 GLN HG2 1 60 ALA MB 4.880 . 4.880 2.904 1.800 4.368 . 0 0 "[ . 1 . 2]" 1
932 1 54 GLN HG3 1 60 ALA MB 4.880 . 4.880 2.767 1.843 4.522 . 0 0 "[ . 1 . 2]" 1
933 1 55 GLU H 1 55 GLU QG 4.990 . 4.990 3.247 1.974 4.045 . 0 0 "[ . 1 . 2]" 1
934 1 55 GLU H 1 56 GLU H 5.160 . 5.160 2.621 2.540 2.803 . 0 0 "[ . 1 . 2]" 1
935 1 55 GLU HA 1 55 GLU QG 3.890 . 3.890 2.872 2.477 3.517 . 0 0 "[ . 1 . 2]" 1
936 1 55 GLU HA 1 60 ALA MB 5.840 . 5.840 4.176 3.056 5.130 . 0 0 "[ . 1 . 2]" 1
937 1 55 GLU QB 1 57 ILE H 5.950 . 5.950 4.815 4.672 5.035 . 0 0 "[ . 1 . 2]" 1
938 1 55 GLU HB2 1 56 GLU H 5.890 . 5.890 3.926 3.165 4.280 . 0 0 "[ . 1 . 2]" 1
939 1 55 GLU HB3 1 56 GLU H 5.890 . 5.890 3.685 3.031 4.530 . 0 0 "[ . 1 . 2]" 1
940 1 56 GLU H 1 57 ILE H 4.060 . 4.060 2.369 2.193 2.548 . 0 0 "[ . 1 . 2]" 1
941 1 56 GLU H 1 57 ILE HB 5.860 . 5.860 4.437 4.303 4.570 . 0 0 "[ . 1 . 2]" 1
942 1 56 GLU H 1 57 ILE HG12 5.970 . 5.970 5.376 5.142 5.568 . 0 0 "[ . 1 . 2]" 1
943 1 56 GLU H 1 57 ILE QG 5.180 . 5.180 3.769 3.492 4.843 . 0 0 "[ . 1 . 2]" 1
944 1 56 GLU H 1 57 ILE HG13 5.970 . 5.970 3.862 3.553 5.323 . 0 0 "[ . 1 . 2]" 1
945 1 56 GLU HA 1 74 GLU HB2 4.610 . 4.610 4.050 3.015 4.762 0.152 15 0 "[ . 1 . 2]" 1
946 1 56 GLU HA 1 75 ALA H 5.310 . 5.310 4.241 3.263 5.351 0.041 2 0 "[ . 1 . 2]" 1
947 1 56 GLU QB 1 75 ALA MB 4.620 . 4.620 3.242 1.874 3.970 . 0 0 "[ . 1 . 2]" 1
948 1 56 GLU QG 1 75 ALA H 4.870 . 4.870 3.539 2.599 4.390 . 0 0 "[ . 1 . 2]" 1
949 1 56 GLU QG 1 75 ALA MB 3.930 . 3.930 1.949 1.721 2.407 . 0 0 "[ . 1 . 2]" 1
950 1 56 GLU HG2 1 75 ALA H 5.630 . 5.630 4.321 2.935 5.642 0.012 13 0 "[ . 1 . 2]" 1
951 1 56 GLU HG2 1 75 ALA HA 6.300 . 6.300 5.466 4.286 6.364 0.064 1 0 "[ . 1 . 2]" 1
952 1 56 GLU HG2 1 75 ALA MB 4.500 . 4.500 2.694 1.946 3.201 . 0 0 "[ . 1 . 2]" 1
953 1 56 GLU HG3 1 75 ALA H 5.630 . 5.630 4.060 2.681 5.691 0.061 4 0 "[ . 1 . 2]" 1
954 1 56 GLU HG3 1 75 ALA HA 6.300 . 6.300 5.009 4.415 6.309 0.009 18 0 "[ . 1 . 2]" 1
955 1 56 GLU HG3 1 75 ALA MB 4.500 . 4.500 2.273 1.729 3.690 . 0 0 "[ . 1 . 2]" 1
956 1 57 ILE H 1 57 ILE HB 3.950 . 3.950 2.550 2.421 2.682 . 0 0 "[ . 1 . 2]" 1
957 1 57 ILE H 1 57 ILE MD 5.420 . 5.420 3.901 2.473 4.185 . 0 0 "[ . 1 . 2]" 1
958 1 57 ILE H 1 57 ILE HG12 5.330 . 5.330 3.906 3.633 4.309 . 0 0 "[ . 1 . 2]" 1
959 1 57 ILE H 1 57 ILE QG 4.480 . 4.480 2.733 2.366 3.648 . 0 0 "[ . 1 . 2]" 1
960 1 57 ILE H 1 57 ILE HG13 5.330 . 5.330 2.798 2.397 3.938 . 0 0 "[ . 1 . 2]" 1
961 1 57 ILE H 1 58 LYS H 5.580 . 5.580 4.475 4.362 4.574 . 0 0 "[ . 1 . 2]" 1
962 1 57 ILE H 1 60 ALA MB 5.070 . 5.070 3.568 3.302 3.892 . 0 0 "[ . 1 . 2]" 1
963 1 57 ILE HA 1 60 ALA MB 6.300 . 6.300 4.572 4.294 4.967 . 0 0 "[ . 1 . 2]" 1
964 1 57 ILE HA 1 73 LEU HA 4.560 . 4.560 2.806 2.371 3.325 . 0 0 "[ . 1 . 2]" 1
965 1 57 ILE HA 1 73 LEU MD2 5.110 . 5.110 3.278 2.807 3.840 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE HA 1 74 GLU H 4.840 . 4.840 2.914 2.372 3.417 . 0 0 "[ . 1 . 2]" 1
967 1 57 ILE HB 1 58 LYS H 5.440 . 5.440 4.181 4.024 4.282 . 0 0 "[ . 1 . 2]" 1
968 1 57 ILE HB 1 60 ALA H 5.630 . 5.630 3.348 3.163 3.522 . 0 0 "[ . 1 . 2]" 1
969 1 57 ILE HB 1 60 ALA MB 3.560 . 3.560 2.340 1.801 3.166 . 0 0 "[ . 1 . 2]" 1
970 1 57 ILE MD 1 57 ILE MG 3.380 . 3.380 2.097 2.009 3.285 . 0 0 "[ . 1 . 2]" 1
971 1 57 ILE MD 1 60 ALA MB 5.040 . 5.040 3.730 2.928 4.631 . 0 0 "[ . 1 . 2]" 1
972 1 57 ILE MD 1 65 LEU MD1 3.970 . 3.970 2.274 2.035 2.649 . 0 0 "[ . 1 . 2]" 1
973 1 57 ILE MD 1 71 VAL MG2 3.770 . 3.770 2.272 1.879 3.467 . 0 0 "[ . 1 . 2]" 1
974 1 57 ILE MD 1 73 LEU MD2 4.710 . 4.710 3.037 2.654 3.513 . 0 0 "[ . 1 . 2]" 1
975 1 57 ILE MG 1 58 LYS H 4.430 . 4.430 2.616 2.386 2.866 . 0 0 "[ . 1 . 2]" 1
976 1 57 ILE MG 1 58 LYS HA 5.590 . 5.590 4.137 3.947 4.233 . 0 0 "[ . 1 . 2]" 1
977 1 57 ILE MG 1 60 ALA H 5.020 . 5.020 2.073 1.794 2.678 . 0 0 "[ . 1 . 2]" 1
978 1 57 ILE MG 1 60 ALA HA 4.990 . 4.990 3.443 2.885 4.175 . 0 0 "[ . 1 . 2]" 1
979 1 57 ILE MG 1 60 ALA MB 3.730 . 3.730 2.857 2.415 3.680 . 0 0 "[ . 1 . 2]" 1
980 1 57 ILE MG 1 65 LEU MD1 3.850 . 3.850 2.214 1.919 2.582 . 0 0 "[ . 1 . 2]" 1
981 1 57 ILE MG 1 71 VAL HB 3.820 . 3.820 2.096 1.922 2.495 . 0 0 "[ . 1 . 2]" 1
982 1 57 ILE MG 1 71 VAL MG2 3.760 . 3.760 2.418 2.080 3.284 . 0 0 "[ . 1 . 2]" 1
983 1 57 ILE MG 1 72 ILE H 4.680 . 4.680 3.213 2.857 3.640 . 0 0 "[ . 1 . 2]" 1
984 1 57 ILE MG 1 74 GLU H 6.300 . 6.300 4.621 4.149 5.175 . 0 0 "[ . 1 . 2]" 1
985 1 58 LYS H 1 58 LYS QB 3.890 . 3.890 2.304 2.205 2.809 . 0 0 "[ . 1 . 2]" 1
986 1 58 LYS H 1 72 ILE HB 5.580 . 5.580 4.231 3.340 4.754 . 0 0 "[ . 1 . 2]" 1
987 1 58 LYS H 1 73 LEU HA 5.730 . 5.730 3.618 2.927 4.090 . 0 0 "[ . 1 . 2]" 1
988 1 58 LYS H 1 74 GLU H 5.460 . 5.460 3.364 2.916 3.777 . 0 0 "[ . 1 . 2]" 1
989 1 58 LYS H 1 74 GLU HG2 5.480 . 5.480 3.536 2.283 5.265 . 0 0 "[ . 1 . 2]" 1
990 1 58 LYS H 1 74 GLU HG3 5.480 . 5.480 3.489 2.530 4.649 . 0 0 "[ . 1 . 2]" 1
991 1 58 LYS HA 1 58 LYS QG 3.890 . 3.890 2.665 2.408 3.412 . 0 0 "[ . 1 . 2]" 1
992 1 58 LYS HA 1 59 ASP H 3.690 . 3.690 3.551 3.519 3.591 . 0 0 "[ . 1 . 2]" 1
993 1 58 LYS HA 1 59 ASP HA 4.940 . 4.940 4.805 4.733 4.864 . 0 0 "[ . 1 . 2]" 1
994 1 58 LYS HA 1 60 ALA H 5.550 . 5.550 4.023 3.849 4.152 . 0 0 "[ . 1 . 2]" 1
995 1 58 LYS HA 1 74 GLU HG2 5.350 . 5.350 3.863 2.680 5.310 . 0 0 "[ . 1 . 2]" 1
996 1 58 LYS HA 1 74 GLU QG 4.540 . 4.540 3.029 2.471 3.873 . 0 0 "[ . 1 . 2]" 1
997 1 58 LYS HA 1 74 GLU HG3 5.350 . 5.350 3.248 2.591 4.056 . 0 0 "[ . 1 . 2]" 1
998 1 58 LYS QB 1 72 ILE H 5.060 . 5.060 3.766 3.077 5.213 0.153 12 0 "[ . 1 . 2]" 1
999 1 58 LYS QB 1 72 ILE HB 4.480 . 4.480 2.933 1.945 4.371 . 0 0 "[ . 1 . 2]" 1
1000 1 58 LYS QB 1 72 ILE MG 4.550 . 4.550 3.494 2.859 4.498 . 0 0 "[ . 1 . 2]" 1
1001 1 58 LYS QB 1 74 GLU QG 3.630 . 3.630 1.978 1.741 2.548 . 0 0 "[ . 1 . 2]" 1
1002 1 58 LYS HB2 1 59 ASP H 5.880 . 5.880 3.749 3.361 3.945 . 0 0 "[ . 1 . 2]" 1
1003 1 58 LYS HB2 1 72 ILE MG 5.240 . 5.240 4.021 3.042 5.345 0.105 20 0 "[ . 1 . 2]" 1
1004 1 58 LYS HB3 1 59 ASP H 5.880 . 5.880 2.679 2.229 3.997 . 0 0 "[ . 1 . 2]" 1
1005 1 58 LYS HB3 1 72 ILE MG 5.240 . 5.240 3.881 3.087 4.843 . 0 0 "[ . 1 . 2]" 1
1006 1 58 LYS QD 1 72 ILE HB 5.500 . 5.500 3.414 1.905 4.857 . 0 0 "[ . 1 . 2]" 1
1007 1 58 LYS QD 1 72 ILE MG 4.600 . 4.600 3.404 2.313 4.603 0.003 13 0 "[ . 1 . 2]" 1
1008 1 58 LYS QD 1 74 GLU QG 4.020 . 4.020 3.244 2.417 4.089 0.069 5 0 "[ . 1 . 2]" 1
1009 1 58 LYS QE 1 72 ILE MD 6.300 . 6.300 4.975 3.455 6.421 0.121 11 0 "[ . 1 . 2]" 1
1010 1 58 LYS QE 1 72 ILE MG 5.100 . 5.100 3.420 2.461 4.773 . 0 0 "[ . 1 . 2]" 1
1011 1 58 LYS QE 1 74 GLU QG 4.420 . 4.420 3.723 2.030 4.661 0.241 4 0 "[ . 1 . 2]" 1
1012 1 58 LYS QG 1 59 ASP QB 4.620 . 4.620 4.262 2.917 4.648 0.028 2 0 "[ . 1 . 2]" 1
1013 1 58 LYS QG 1 74 GLU QG 4.710 . 4.710 3.249 2.344 3.878 . 0 0 "[ . 1 . 2]" 1
1014 1 58 LYS HG2 1 59 ASP H 4.970 . 4.970 3.586 2.420 4.722 . 0 0 "[ . 1 . 2]" 1
1015 1 58 LYS HG3 1 59 ASP H 4.970 . 4.970 4.210 1.805 4.926 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ASP H 1 60 ALA H 4.430 . 4.430 2.735 2.610 2.825 . 0 0 "[ . 1 . 2]" 1
1017 1 59 ASP HA 1 61 GLY H 5.460 . 5.460 4.442 3.635 4.898 . 0 0 "[ . 1 . 2]" 1
1018 1 59 ASP HB2 1 60 ALA H 5.780 . 5.780 3.948 3.470 4.399 . 0 0 "[ . 1 . 2]" 1
1019 1 59 ASP HB3 1 60 ALA H 5.780 . 5.780 3.802 3.205 4.334 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ALA H 1 60 ALA MB 3.570 . 3.570 2.216 2.190 2.250 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ALA H 1 61 GLY H 4.390 . 4.390 3.265 2.880 3.508 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ALA HA 1 65 LEU MD1 4.990 . 4.990 2.244 1.680 3.497 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ALA HA 1 65 LEU MD2 5.100 . 5.100 2.326 1.617 3.056 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ALA MB 1 61 GLY H 4.590 . 4.590 2.327 2.086 2.784 . 0 0 "[ . 1 . 2]" 1
1025 1 60 ALA MB 1 63 LYS H 5.510 . 5.510 3.902 3.088 4.234 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ALA MB 1 65 LEU MD1 3.970 . 3.970 2.834 2.218 3.572 . 0 0 "[ . 1 . 2]" 1
1027 1 61 GLY QA 1 63 LYS H 5.500 . 5.500 3.414 3.181 3.645 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ASP H 1 63 LYS H 4.980 . 4.980 2.810 2.715 3.011 . 0 0 "[ . 1 . 2]" 1
1029 1 63 LYS H 1 63 LYS HB2 4.300 . 4.300 3.731 2.838 3.850 . 0 0 "[ . 1 . 2]" 1
1030 1 63 LYS H 1 63 LYS QB 3.690 . 3.690 2.756 2.235 2.974 . 0 0 "[ . 1 . 2]" 1
1031 1 63 LYS H 1 63 LYS HB3 4.300 . 4.300 2.842 2.338 3.099 . 0 0 "[ . 1 . 2]" 1
1032 1 63 LYS H 1 63 LYS QD 5.880 . 5.880 4.167 3.145 4.814 . 0 0 "[ . 1 . 2]" 1
1033 1 63 LYS H 1 63 LYS HG2 4.910 . 4.910 2.556 2.118 4.341 . 0 0 "[ . 1 . 2]" 1
1034 1 63 LYS H 1 63 LYS QG 4.040 . 4.040 2.417 2.028 3.989 . 0 0 "[ . 1 . 2]" 1
1035 1 63 LYS H 1 63 LYS HG3 4.910 . 4.910 3.430 2.038 4.650 . 0 0 "[ . 1 . 2]" 1
1036 1 63 LYS H 1 65 LEU MD2 5.830 . 5.830 4.566 4.211 5.133 . 0 0 "[ . 1 . 2]" 1
1037 1 63 LYS H 1 65 LEU HG 6.300 . 6.300 5.114 4.578 5.842 . 0 0 "[ . 1 . 2]" 1
1038 1 63 LYS HA 1 64 THR H 3.730 . 3.730 2.418 2.256 2.570 . 0 0 "[ . 1 . 2]" 1
1039 1 63 LYS QB 1 65 LEU MD2 4.570 . 4.570 4.288 3.349 4.617 0.047 6 0 "[ . 1 . 2]" 1
1040 1 63 LYS HB2 1 65 LEU MD2 5.190 . 5.190 4.734 4.488 5.074 . 0 0 "[ . 1 . 2]" 1
1041 1 63 LYS HB3 1 65 LEU MD2 5.190 . 5.190 4.986 3.416 5.508 0.318 20 0 "[ . 1 . 2]" 1
1042 1 63 LYS QE 1 65 LEU MD1 5.600 . 5.600 4.875 4.358 5.818 0.218 14 0 "[ . 1 . 2]" 1
1043 1 63 LYS QE 1 65 LEU MD2 4.670 . 4.670 2.562 1.818 3.761 . 0 0 "[ . 1 . 2]" 1
1044 1 63 LYS QG 1 64 THR H 5.290 . 5.290 3.330 2.556 4.219 . 0 0 "[ . 1 . 2]" 1
1045 1 63 LYS QG 1 65 LEU MD2 4.350 . 4.350 2.619 2.355 3.729 . 0 0 "[ . 1 . 2]" 1
1046 1 64 THR H 1 64 THR HB 4.250 . 4.250 2.630 2.469 3.688 . 0 0 "[ . 1 . 2]" 1
1047 1 64 THR HA 1 65 LEU H 3.660 . 3.660 2.177 2.137 2.208 . 0 0 "[ . 1 . 2]" 1
1048 1 64 THR HA 1 65 LEU HB2 5.310 . 5.310 4.648 4.568 4.767 . 0 0 "[ . 1 . 2]" 1
1049 1 64 THR HA 1 65 LEU HG 5.520 . 5.520 3.937 3.711 4.193 . 0 0 "[ . 1 . 2]" 1
1050 1 64 THR MG 1 65 LEU H 4.500 . 4.500 3.137 2.739 4.048 . 0 0 "[ . 1 . 2]" 1
1051 1 64 THR MG 1 66 GLN HE21 5.410 . 5.410 4.021 1.957 5.232 . 0 0 "[ . 1 . 2]" 1
1052 1 64 THR MG 1 66 GLN QE 4.770 . 4.770 3.612 1.885 4.753 . 0 0 "[ . 1 . 2]" 1
1053 1 64 THR MG 1 66 GLN HE22 5.410 . 5.410 4.372 2.140 5.512 0.102 6 0 "[ . 1 . 2]" 1
1054 1 64 THR MG 1 66 GLN QG 5.050 . 5.050 3.457 2.231 5.189 0.139 17 0 "[ . 1 . 2]" 1
1055 1 64 THR MG 1 93 LYS QE 5.110 . 5.110 3.502 2.140 5.261 0.151 9 0 "[ . 1 . 2]" 1
1056 1 65 LEU H 1 65 LEU HB2 4.350 . 4.350 2.509 2.414 2.595 . 0 0 "[ . 1 . 2]" 1
1057 1 65 LEU H 1 65 LEU MD1 5.130 . 5.130 3.601 3.478 3.733 . 0 0 "[ . 1 . 2]" 1
1058 1 65 LEU H 1 65 LEU MD2 4.780 . 4.780 3.406 3.139 3.676 . 0 0 "[ . 1 . 2]" 1
1059 1 65 LEU H 1 65 LEU HG 4.380 . 4.380 2.309 2.146 2.566 . 0 0 "[ . 1 . 2]" 1
1060 1 65 LEU HA 1 65 LEU MD2 3.790 . 3.790 2.156 2.073 2.216 . 0 0 "[ . 1 . 2]" 1
1061 1 65 LEU HA 1 66 GLN QG 4.980 . 4.980 3.742 3.270 4.818 . 0 0 "[ . 1 . 2]" 1
1062 1 65 LEU HB2 1 66 GLN H 5.040 . 5.040 4.124 3.810 4.305 . 0 0 "[ . 1 . 2]" 1
1063 1 65 LEU HB2 1 88 ILE MD 4.510 . 4.510 2.920 2.615 3.341 . 0 0 "[ . 1 . 2]" 1
1064 1 65 LEU HB2 1 88 ILE QG 5.300 . 5.300 2.922 2.616 3.270 . 0 0 "[ . 1 . 2]" 1
1065 1 65 LEU HB3 1 66 GLN H 4.540 . 4.540 3.232 2.800 3.577 . 0 0 "[ . 1 . 2]" 1
1066 1 65 LEU HB3 1 69 ASP QB 5.930 . 5.930 2.990 2.451 3.585 . 0 0 "[ . 1 . 2]" 1
1067 1 65 LEU HB3 1 88 ILE MD 5.550 . 5.550 2.952 2.545 3.492 . 0 0 "[ . 1 . 2]" 1
1068 1 65 LEU HB3 1 88 ILE QG 5.130 . 5.130 2.009 1.680 2.413 . 0 0 "[ . 1 . 2]" 1
1069 1 65 LEU MD1 1 71 VAL HB 5.620 . 5.620 3.575 3.167 3.929 . 0 0 "[ . 1 . 2]" 1
1070 1 65 LEU MD1 1 88 ILE MD 3.730 . 3.730 2.297 2.051 2.533 . 0 0 "[ . 1 . 2]" 1
1071 1 65 LEU MD1 1 88 ILE HG12 5.490 . 5.490 3.771 3.251 4.293 . 0 0 "[ . 1 . 2]" 1
1072 1 65 LEU MD1 1 88 ILE QG 4.830 . 4.830 3.015 2.428 3.519 . 0 0 "[ . 1 . 2]" 1
1073 1 65 LEU MD1 1 88 ILE HG13 5.490 . 5.490 3.177 2.507 3.738 . 0 0 "[ . 1 . 2]" 1
1074 1 65 LEU MD2 1 66 GLN H 4.840 . 4.840 3.755 3.536 3.941 . 0 0 "[ . 1 . 2]" 1
1075 1 65 LEU MD2 1 69 ASP QB 4.990 . 4.990 3.125 2.244 4.202 . 0 0 "[ . 1 . 2]" 1
1076 1 65 LEU MD2 1 88 ILE MD 4.440 . 4.440 3.938 3.479 4.258 . 0 0 "[ . 1 . 2]" 1
1077 1 66 GLN H 1 66 GLN QG 4.410 . 4.410 2.826 2.301 3.829 . 0 0 "[ . 1 . 2]" 1
1078 1 66 GLN H 1 69 ASP H 5.860 . 5.860 4.272 3.629 4.791 . 0 0 "[ . 1 . 2]" 1
1079 1 66 GLN H 1 69 ASP QB 5.210 . 5.210 3.007 2.575 3.482 . 0 0 "[ . 1 . 2]" 1
1080 1 66 GLN HA 1 67 PRO HD2 4.260 . 4.260 2.721 2.340 2.894 . 0 0 "[ . 1 . 2]" 1
1081 1 66 GLN HA 1 67 PRO QD 3.680 . 3.680 2.121 2.002 2.295 . 0 0 "[ . 1 . 2]" 1
1082 1 66 GLN HA 1 67 PRO HD3 4.260 . 4.260 2.259 2.045 2.998 . 0 0 "[ . 1 . 2]" 1
1083 1 66 GLN QB 1 67 PRO QD 3.830 . 3.830 2.409 2.035 2.617 . 0 0 "[ . 1 . 2]" 1
1084 1 66 GLN HB2 1 67 PRO HD2 5.170 . 5.170 4.009 3.636 4.246 . 0 0 "[ . 1 . 2]" 1
1085 1 66 GLN HB2 1 67 PRO HD3 5.170 . 5.170 4.692 4.459 5.097 . 0 0 "[ . 1 . 2]" 1
1086 1 66 GLN HB3 1 67 PRO HD2 5.170 . 5.170 2.488 2.057 2.741 . 0 0 "[ . 1 . 2]" 1
1087 1 66 GLN HB3 1 67 PRO HD3 5.170 . 5.170 3.537 3.264 3.854 . 0 0 "[ . 1 . 2]" 1
1088 1 66 GLN QG 1 67 PRO HD2 5.410 . 5.410 3.916 3.096 4.562 . 0 0 "[ . 1 . 2]" 1
1089 1 66 GLN QG 1 67 PRO QD 4.710 . 4.710 3.621 3.039 4.201 . 0 0 "[ . 1 . 2]" 1
1090 1 66 GLN QG 1 67 PRO HD3 5.410 . 5.410 4.323 3.855 4.914 . 0 0 "[ . 1 . 2]" 1
1091 1 67 PRO HA 1 69 ASP H 5.150 . 5.150 3.709 3.402 3.950 . 0 0 "[ . 1 . 2]" 1
1092 1 67 PRO HA 1 88 ILE HB 4.810 . 4.810 2.997 2.359 3.591 . 0 0 "[ . 1 . 2]" 1
1093 1 67 PRO HA 1 88 ILE MG 4.220 . 4.220 2.656 2.265 3.168 . 0 0 "[ . 1 . 2]" 1
1094 1 67 PRO QB 1 90 SER HA 4.550 . 4.550 3.588 2.687 4.443 . 0 0 "[ . 1 . 2]" 1
1095 1 67 PRO HG2 1 88 ILE MG 5.690 . 5.690 4.853 4.463 5.461 . 0 0 "[ . 1 . 2]" 1
1096 1 67 PRO HG2 1 90 SER HA 5.310 . 5.310 3.783 3.234 5.152 . 0 0 "[ . 1 . 2]" 1
1097 1 67 PRO HG3 1 90 SER HA 4.500 . 4.500 2.337 1.832 3.727 . 0 0 "[ . 1 . 2]" 1
1098 1 67 PRO HG3 1 91 ALA H 5.510 . 5.510 3.455 2.094 4.249 . 0 0 "[ . 1 . 2]" 1
1099 1 68 GLY H 1 69 ASP H 4.470 . 4.470 2.555 2.344 2.765 . 0 0 "[ . 1 . 2]" 1
1100 1 68 GLY H 1 87 GLU HG2 6.050 . 6.050 3.997 3.057 6.109 0.059 6 0 "[ . 1 . 2]" 1
1101 1 68 GLY H 1 87 GLU QG 5.310 . 5.310 3.645 2.809 5.257 . 0 0 "[ . 1 . 2]" 1
1102 1 68 GLY H 1 87 GLU HG3 6.050 . 6.050 4.429 3.274 5.734 . 0 0 "[ . 1 . 2]" 1
1103 1 68 GLY H 1 88 ILE HB 4.710 . 4.710 2.923 2.348 3.207 . 0 0 "[ . 1 . 2]" 1
1104 1 68 GLY H 1 88 ILE MG 5.210 . 5.210 3.800 3.338 4.238 . 0 0 "[ . 1 . 2]" 1
1105 1 68 GLY H 1 89 ASP HA 5.940 . 5.940 4.221 3.948 5.077 . 0 0 "[ . 1 . 2]" 1
1106 1 68 GLY QA 1 87 GLU QG 4.890 . 4.890 3.346 2.690 4.649 . 0 0 "[ . 1 . 2]" 1
1107 1 69 ASP H 1 69 ASP QB 3.890 . 3.890 2.337 2.227 2.437 . 0 0 "[ . 1 . 2]" 1
1108 1 69 ASP H 1 88 ILE HB 4.460 . 4.460 2.858 2.610 3.084 . 0 0 "[ . 1 . 2]" 1
1109 1 69 ASP H 1 88 ILE QG 5.410 . 5.410 3.738 3.444 4.100 . 0 0 "[ . 1 . 2]" 1
1110 1 69 ASP H 1 88 ILE MG 5.020 . 5.020 4.159 3.855 4.501 . 0 0 "[ . 1 . 2]" 1
1111 1 69 ASP HA 1 70 GLN H 3.660 . 3.660 2.215 2.108 2.326 . 0 0 "[ . 1 . 2]" 1
1112 1 69 ASP QB 1 70 GLN H 4.230 . 4.230 3.205 2.551 3.781 . 0 0 "[ . 1 . 2]" 1
1113 1 69 ASP QB 1 71 VAL MG1 4.690 . 4.690 2.904 2.336 3.646 . 0 0 "[ . 1 . 2]" 1
1114 1 69 ASP QB 1 88 ILE MD 4.620 . 4.620 3.886 3.568 4.188 . 0 0 "[ . 1 . 2]" 1
1115 1 69 ASP QB 1 88 ILE QG 4.320 . 4.320 2.408 2.154 2.815 . 0 0 "[ . 1 . 2]" 1
1116 1 69 ASP QB 1 88 ILE MG 6.100 . 6.100 3.761 3.385 4.573 . 0 0 "[ . 1 . 2]" 1
1117 1 69 ASP HB2 1 88 ILE MD 5.270 . 5.270 4.346 3.866 5.345 0.075 1 0 "[ . 1 . 2]" 1
1118 1 69 ASP HB2 1 88 ILE HG12 5.600 . 5.600 3.273 2.648 4.589 . 0 0 "[ . 1 . 2]" 1
1119 1 69 ASP HB2 1 88 ILE HG13 5.600 . 5.600 2.874 2.356 4.131 . 0 0 "[ . 1 . 2]" 1
1120 1 69 ASP HB3 1 88 ILE MD 5.270 . 5.270 4.573 3.925 5.247 . 0 0 "[ . 1 . 2]" 1
1121 1 69 ASP HB3 1 88 ILE HG12 5.600 . 5.600 3.581 2.611 4.389 . 0 0 "[ . 1 . 2]" 1
1122 1 69 ASP HB3 1 88 ILE HG13 5.600 . 5.600 3.514 2.323 4.709 . 0 0 "[ . 1 . 2]" 1
1123 1 70 GLN H 1 70 GLN QB 3.920 . 3.920 2.507 2.288 3.105 . 0 0 "[ . 1 . 2]" 1
1124 1 70 GLN H 1 70 GLN HG2 5.040 . 5.040 3.982 2.236 4.748 . 0 0 "[ . 1 . 2]" 1
1125 1 70 GLN H 1 70 GLN HG3 5.040 . 5.040 4.084 2.895 4.753 . 0 0 "[ . 1 . 2]" 1
1126 1 70 GLN H 1 71 VAL H 5.870 . 5.870 4.444 4.356 4.545 . 0 0 "[ . 1 . 2]" 1
1127 1 70 GLN H 1 71 VAL MG1 5.380 . 5.380 3.968 3.681 4.306 . 0 0 "[ . 1 . 2]" 1
1128 1 70 GLN HA 1 71 VAL H 3.680 . 3.680 2.176 2.121 2.222 . 0 0 "[ . 1 . 2]" 1
1129 1 70 GLN HA 1 71 VAL MG1 5.380 . 5.380 3.623 3.423 3.803 . 0 0 "[ . 1 . 2]" 1
1130 1 70 GLN HA 1 71 VAL MG2 5.020 . 5.020 3.580 3.275 3.875 . 0 0 "[ . 1 . 2]" 1
1131 1 70 GLN HA 1 85 THR MG 5.680 . 5.680 4.139 3.564 4.675 . 0 0 "[ . 1 . 2]" 1
1132 1 70 GLN HA 1 86 ALA MB 5.990 . 5.990 4.857 4.586 5.360 . 0 0 "[ . 1 . 2]" 1
1133 1 70 GLN HA 1 87 GLU HA 4.140 . 4.140 2.403 2.068 3.052 . 0 0 "[ . 1 . 2]" 1
1134 1 70 GLN HA 1 87 GLU QB 5.290 . 5.290 3.741 3.038 4.705 . 0 0 "[ . 1 . 2]" 1
1135 1 70 GLN HA 1 88 ILE H 5.530 . 5.530 3.588 2.941 4.055 . 0 0 "[ . 1 . 2]" 1
1136 1 70 GLN HA 1 88 ILE QG 6.100 . 6.100 4.157 3.610 4.596 . 0 0 "[ . 1 . 2]" 1
1137 1 70 GLN QB 1 71 VAL H 4.650 . 4.650 3.483 2.847 3.849 . 0 0 "[ . 1 . 2]" 1
1138 1 70 GLN QB 1 71 VAL MG1 5.710 . 5.710 4.554 4.401 4.683 . 0 0 "[ . 1 . 2]" 1
1139 1 70 GLN QB 1 71 VAL MG2 5.420 . 5.420 4.941 4.475 5.308 . 0 0 "[ . 1 . 2]" 1
1140 1 70 GLN QB 1 85 THR MG 4.050 . 4.050 3.310 2.099 4.150 0.100 15 0 "[ . 1 . 2]" 1
1141 1 70 GLN QE 1 85 THR MG 5.160 . 5.160 3.288 2.133 4.616 . 0 0 "[ . 1 . 2]" 1
1142 1 70 GLN QE 1 87 GLU QB 4.620 . 4.620 3.162 1.734 4.728 0.108 1 0 "[ . 1 . 2]" 1
1143 1 70 GLN QE 1 87 GLU QG 4.560 . 4.560 3.775 2.202 4.663 0.103 16 0 "[ . 1 . 2]" 1
1144 1 70 GLN HE21 1 85 THR MG 5.990 . 5.990 3.678 2.195 5.394 . 0 0 "[ . 1 . 2]" 1
1145 1 70 GLN HE22 1 85 THR MG 5.990 . 5.990 3.826 2.720 6.008 0.018 8 0 "[ . 1 . 2]" 1
1146 1 70 GLN QG 1 85 THR MG 4.200 . 4.200 2.820 2.139 3.849 . 0 0 "[ . 1 . 2]" 1
1147 1 70 GLN QG 1 87 GLU HA 5.020 . 5.020 3.838 2.537 5.086 0.066 1 0 "[ . 1 . 2]" 1
1148 1 70 GLN HG2 1 71 VAL H 5.460 . 5.460 4.167 2.631 5.249 . 0 0 "[ . 1 . 2]" 1
1149 1 70 GLN HG2 1 85 THR MG 4.880 . 4.880 3.310 2.312 4.773 . 0 0 "[ . 1 . 2]" 1
1150 1 70 GLN HG3 1 71 VAL H 5.460 . 5.460 4.008 2.957 5.561 0.101 11 0 "[ . 1 . 2]" 1
1151 1 70 GLN HG3 1 85 THR MG 4.880 . 4.880 3.231 2.195 4.804 . 0 0 "[ . 1 . 2]" 1
1152 1 71 VAL H 1 71 VAL MG1 4.450 . 4.450 2.991 2.795 3.260 . 0 0 "[ . 1 . 2]" 1
1153 1 71 VAL H 1 71 VAL MG2 3.910 . 3.910 2.255 2.166 2.374 . 0 0 "[ . 1 . 2]" 1
1154 1 71 VAL H 1 85 THR MG 4.920 . 4.920 3.734 3.080 4.209 . 0 0 "[ . 1 . 2]" 1
1155 1 71 VAL H 1 86 ALA H 4.880 . 4.880 3.313 2.881 3.570 . 0 0 "[ . 1 . 2]" 1
1156 1 71 VAL H 1 86 ALA MB 5.340 . 5.340 3.580 3.362 4.008 . 0 0 "[ . 1 . 2]" 1
1157 1 71 VAL H 1 87 GLU HA 5.290 . 5.290 3.364 2.895 4.156 . 0 0 "[ . 1 . 2]" 1
1158 1 71 VAL HA 1 71 VAL MG1 3.730 . 3.730 2.419 2.385 2.452 . 0 0 "[ . 1 . 2]" 1
1159 1 71 VAL HB 1 72 ILE H 4.010 . 4.010 2.439 2.142 2.913 . 0 0 "[ . 1 . 2]" 1
1160 1 71 VAL MG1 1 72 ILE H 4.800 . 4.800 3.747 3.567 3.893 . 0 0 "[ . 1 . 2]" 1
1161 1 71 VAL MG1 1 87 GLU HA 6.120 . 6.120 4.545 3.978 5.411 . 0 0 "[ . 1 . 2]" 1
1162 1 71 VAL MG1 1 88 ILE H 5.280 . 5.280 4.170 3.546 4.830 . 0 0 "[ . 1 . 2]" 1
1163 1 71 VAL MG1 1 88 ILE MD 3.640 . 3.640 2.687 2.157 3.388 . 0 0 "[ . 1 . 2]" 1
1164 1 71 VAL MG1 1 88 ILE QG 4.550 . 4.550 2.756 2.288 3.377 . 0 0 "[ . 1 . 2]" 1
1165 1 71 VAL MG2 1 72 ILE H 4.800 . 4.800 3.428 3.134 3.813 . 0 0 "[ . 1 . 2]" 1
1166 1 71 VAL MG2 1 73 LEU HG 5.410 . 5.410 3.773 3.393 4.128 . 0 0 "[ . 1 . 2]" 1
1167 1 71 VAL MG2 1 86 ALA H 4.950 . 4.950 3.298 2.802 3.764 . 0 0 "[ . 1 . 2]" 1
1168 1 71 VAL MG2 1 86 ALA MB 3.750 . 3.750 2.101 1.912 2.645 . 0 0 "[ . 1 . 2]" 1
1169 1 71 VAL MG2 1 88 ILE H 5.690 . 5.690 3.746 3.373 4.213 . 0 0 "[ . 1 . 2]" 1
1170 1 71 VAL MG2 1 88 ILE MD 3.600 . 3.600 2.335 2.032 2.768 . 0 0 "[ . 1 . 2]" 1
1171 1 71 VAL MG2 1 88 ILE QG 4.730 . 4.730 2.983 2.628 3.310 . 0 0 "[ . 1 . 2]" 1
1172 1 72 ILE H 1 72 ILE HB 4.280 . 4.280 2.628 2.481 2.719 . 0 0 "[ . 1 . 2]" 1
1173 1 72 ILE H 1 72 ILE MD 5.470 . 5.470 3.632 2.441 4.318 . 0 0 "[ . 1 . 2]" 1
1174 1 72 ILE H 1 72 ILE HG12 4.890 . 4.890 3.034 2.582 4.364 . 0 0 "[ . 1 . 2]" 1
1175 1 72 ILE H 1 72 ILE HG13 4.890 . 4.890 4.078 3.136 4.252 . 0 0 "[ . 1 . 2]" 1
1176 1 72 ILE H 1 73 LEU MD2 5.740 . 5.740 4.894 4.599 5.138 . 0 0 "[ . 1 . 2]" 1
1177 1 72 ILE HA 1 72 ILE MD 4.280 . 4.280 2.324 2.096 3.852 . 0 0 "[ . 1 . 2]" 1
1178 1 72 ILE HB 1 85 THR MG 6.300 . 6.300 6.050 5.089 6.328 0.028 18 0 "[ . 1 . 2]" 1
1179 1 72 ILE MD 1 73 LEU H 5.010 . 5.010 3.893 3.628 4.873 . 0 0 "[ . 1 . 2]" 1
1180 1 72 ILE MD 1 85 THR H 5.920 . 5.920 4.104 3.623 5.631 . 0 0 "[ . 1 . 2]" 1
1181 1 72 ILE MD 1 85 THR HA 4.080 . 4.080 2.298 1.879 3.893 . 0 0 "[ . 1 . 2]" 1
1182 1 72 ILE MD 1 85 THR HB 5.480 . 5.480 4.305 3.974 5.370 . 0 0 "[ . 1 . 2]" 1
1183 1 72 ILE MD 1 85 THR MG 4.440 . 4.440 2.810 2.405 3.534 . 0 0 "[ . 1 . 2]" 1
1184 1 72 ILE MD 1 86 ALA H 5.220 . 5.220 3.543 2.832 5.328 0.108 17 0 "[ . 1 . 2]" 1
1185 1 72 ILE QG 1 73 LEU H 5.970 . 5.970 4.547 3.962 4.711 . 0 0 "[ . 1 . 2]" 1
1186 1 72 ILE QG 1 85 THR MG 4.220 . 4.220 4.043 2.602 4.267 0.047 10 0 "[ . 1 . 2]" 1
1187 1 72 ILE MG 1 73 LEU H 4.150 . 4.150 2.494 2.388 2.584 . 0 0 "[ . 1 . 2]" 1
1188 1 72 ILE MG 1 74 GLU H 6.300 . 6.300 4.293 3.987 4.756 . 0 0 "[ . 1 . 2]" 1
1189 1 72 ILE MG 1 74 GLU QG 5.430 . 5.430 3.785 3.287 4.268 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ILE MG 1 83 GLY H 5.300 . 5.300 3.155 2.567 3.705 . 0 0 "[ . 1 . 2]" 1
1191 1 72 ILE MG 1 83 GLY HA2 4.210 . 4.210 2.544 2.092 3.091 . 0 0 "[ . 1 . 2]" 1
1192 1 72 ILE MG 1 83 GLY HA3 4.670 . 4.670 3.924 3.542 4.525 . 0 0 "[ . 1 . 2]" 1
1193 1 73 LEU H 1 73 LEU MD1 5.350 . 5.350 3.749 3.623 3.867 . 0 0 "[ . 1 . 2]" 1
1194 1 73 LEU H 1 73 LEU MD2 4.900 . 4.900 3.462 3.334 3.566 . 0 0 "[ . 1 . 2]" 1
1195 1 73 LEU H 1 73 LEU HG 4.320 . 4.320 2.478 2.291 2.607 . 0 0 "[ . 1 . 2]" 1
1196 1 73 LEU H 1 84 ALA MB 6.300 . 6.300 4.225 3.869 4.778 . 0 0 "[ . 1 . 2]" 1
1197 1 73 LEU H 1 86 ALA MB 5.230 . 5.230 4.039 3.628 4.581 . 0 0 "[ . 1 . 2]" 1
1198 1 73 LEU HA 1 73 LEU MD2 3.940 . 3.940 2.143 2.070 2.215 . 0 0 "[ . 1 . 2]" 1
1199 1 73 LEU HA 1 74 GLU HB2 5.540 . 5.540 4.623 4.518 4.710 . 0 0 "[ . 1 . 2]" 1
1200 1 73 LEU HA 1 75 ALA H 4.820 . 4.820 3.663 3.452 4.023 . 0 0 "[ . 1 . 2]" 1
1201 1 73 LEU HB2 1 74 GLU H 5.570 . 5.570 4.306 4.145 4.427 . 0 0 "[ . 1 . 2]" 1
1202 1 73 LEU HB2 1 74 GLU QG 6.080 . 6.080 5.980 5.676 6.178 0.098 4 0 "[ . 1 . 2]" 1
1203 1 73 LEU HB2 1 75 ALA H 6.270 . 6.270 4.435 3.798 5.059 . 0 0 "[ . 1 . 2]" 1
1204 1 73 LEU HB2 1 75 ALA MB 6.300 . 6.300 5.321 4.667 5.710 . 0 0 "[ . 1 . 2]" 1
1205 1 73 LEU HB2 1 84 ALA H 5.180 . 5.180 3.534 3.192 3.996 . 0 0 "[ . 1 . 2]" 1
1206 1 73 LEU HB2 1 84 ALA MB 4.940 . 4.940 3.626 3.069 4.314 . 0 0 "[ . 1 . 2]" 1
1207 1 73 LEU HB3 1 74 GLU H 5.320 . 5.320 3.531 3.217 3.775 . 0 0 "[ . 1 . 2]" 1
1208 1 73 LEU HB3 1 75 ALA H 4.570 . 4.570 3.215 2.694 3.799 . 0 0 "[ . 1 . 2]" 1
1209 1 73 LEU HB3 1 75 ALA MB 6.300 . 6.300 3.992 3.262 4.377 . 0 0 "[ . 1 . 2]" 1
1210 1 73 LEU HB3 1 81 MET ME 3.950 . 3.950 3.502 3.207 4.006 0.056 10 0 "[ . 1 . 2]" 1
1211 1 73 LEU HB3 1 81 MET QG 5.380 . 5.380 3.484 3.034 5.379 . 0 0 "[ . 1 . 2]" 1
1212 1 73 LEU HB3 1 84 ALA H 5.740 . 5.740 5.216 4.797 5.688 . 0 0 "[ . 1 . 2]" 1
1213 1 73 LEU MD1 1 75 ALA H 5.760 . 5.760 5.034 4.635 5.470 . 0 0 "[ . 1 . 2]" 1
1214 1 73 LEU MD1 1 75 ALA MB 4.940 . 4.940 4.785 4.143 5.127 0.187 11 0 "[ . 1 . 2]" 1
1215 1 73 LEU MD1 1 81 MET HA 5.470 . 5.470 3.731 3.214 4.278 . 0 0 "[ . 1 . 2]" 1
1216 1 73 LEU MD1 1 81 MET ME 3.980 . 3.980 2.119 1.891 2.394 . 0 0 "[ . 1 . 2]" 1
1217 1 73 LEU MD1 1 81 MET HG2 4.560 . 4.560 2.862 2.364 4.429 . 0 0 "[ . 1 . 2]" 1
1218 1 73 LEU MD1 1 81 MET HG3 4.560 . 4.560 2.667 2.323 4.434 . 0 0 "[ . 1 . 2]" 1
1219 1 73 LEU MD1 1 84 ALA H 6.060 . 6.060 4.187 3.668 4.899 . 0 0 "[ . 1 . 2]" 1
1220 1 73 LEU MD1 1 84 ALA MB 4.190 . 4.190 2.823 2.208 3.663 . 0 0 "[ . 1 . 2]" 1
1221 1 73 LEU MD1 1 86 ALA MB 3.820 . 3.820 2.374 2.101 2.791 . 0 0 "[ . 1 . 2]" 1
1222 1 73 LEU MD2 1 74 GLU H 5.040 . 5.040 3.856 3.727 4.012 . 0 0 "[ . 1 . 2]" 1
1223 1 73 LEU MD2 1 75 ALA H 5.250 . 5.250 4.347 4.009 4.583 . 0 0 "[ . 1 . 2]" 1
1224 1 73 LEU MD2 1 75 ALA MB 4.860 . 4.860 4.424 3.746 4.793 . 0 0 "[ . 1 . 2]" 1
1225 1 73 LEU MD2 1 81 MET ME 5.180 . 5.180 3.340 2.856 3.705 . 0 0 "[ . 1 . 2]" 1
1226 1 73 LEU MD2 1 86 ALA MB 3.820 . 3.820 2.488 2.281 2.911 . 0 0 "[ . 1 . 2]" 1
1227 1 73 LEU HG 1 86 ALA MB 4.110 . 4.110 2.416 2.199 2.965 . 0 0 "[ . 1 . 2]" 1
1228 1 74 GLU H 1 74 GLU HG2 5.100 . 5.100 3.129 2.449 4.079 . 0 0 "[ . 1 . 2]" 1
1229 1 74 GLU H 1 74 GLU HG3 5.100 . 5.100 3.394 2.294 4.060 . 0 0 "[ . 1 . 2]" 1
1230 1 74 GLU H 1 75 ALA H 3.850 . 3.850 2.482 2.318 2.594 . 0 0 "[ . 1 . 2]" 1
1231 1 74 GLU H 1 75 ALA MB 5.440 . 5.440 4.224 3.904 4.393 . 0 0 "[ . 1 . 2]" 1
1232 1 74 GLU HA 1 82 LYS HA 5.380 . 5.380 4.140 3.440 4.724 . 0 0 "[ . 1 . 2]" 1
1233 1 74 GLU HA 1 82 LYS QD 5.540 . 5.540 4.050 2.261 5.193 . 0 0 "[ . 1 . 2]" 1
1234 1 74 GLU HA 1 82 LYS QE 4.850 . 4.850 3.428 2.320 4.861 0.011 12 0 "[ . 1 . 2]" 1
1235 1 74 GLU HA 1 82 LYS HG2 5.580 . 5.580 4.060 3.309 5.497 . 0 0 "[ . 1 . 2]" 1
1236 1 74 GLU HA 1 82 LYS QG 4.700 . 4.700 2.870 2.059 4.815 0.115 8 0 "[ . 1 . 2]" 1
1237 1 74 GLU HA 1 82 LYS HG3 5.580 . 5.580 3.053 2.077 5.323 . 0 0 "[ . 1 . 2]" 1
1238 1 74 GLU HA 1 83 GLY H 5.440 . 5.440 3.961 3.312 4.419 . 0 0 "[ . 1 . 2]" 1
1239 1 74 GLU HB2 1 75 ALA H 4.970 . 4.970 3.212 2.607 3.855 . 0 0 "[ . 1 . 2]" 1
1240 1 74 GLU HB2 1 75 ALA MB 5.420 . 5.420 4.208 3.810 4.605 . 0 0 "[ . 1 . 2]" 1
1241 1 74 GLU HB3 1 75 ALA H 5.250 . 5.250 3.985 3.588 4.373 . 0 0 "[ . 1 . 2]" 1
1242 1 74 GLU HB3 1 82 LYS QE 5.550 . 5.550 4.147 3.026 5.615 0.065 6 0 "[ . 1 . 2]" 1
1243 1 75 ALA H 1 76 SER QB 5.660 . 5.660 5.437 5.122 5.813 0.153 12 0 "[ . 1 . 2]" 1
1244 1 75 ALA HA 1 82 LYS QD 6.040 . 6.040 3.899 2.874 5.079 . 0 0 "[ . 1 . 2]" 1
1245 1 75 ALA MB 1 76 SER H 4.860 . 4.860 2.385 2.183 2.636 . 0 0 "[ . 1 . 2]" 1
1246 1 75 ALA MB 1 76 SER QB 6.090 . 6.090 4.414 4.227 4.634 . 0 0 "[ . 1 . 2]" 1
1247 1 75 ALA MB 1 77 HIS H 5.120 . 5.120 4.643 4.330 4.932 . 0 0 "[ . 1 . 2]" 1
1248 1 75 ALA MB 1 77 HIS HD2 3.630 . 3.630 3.529 2.282 3.813 0.183 10 0 "[ . 1 . 2]" 1
1249 1 75 ALA MB 1 81 MET ME 5.970 . 5.970 3.767 2.908 4.531 . 0 0 "[ . 1 . 2]" 1
1250 1 76 SER H 1 77 HIS H 5.290 . 5.290 4.140 4.078 4.411 . 0 0 "[ . 1 . 2]" 1
1251 1 76 SER H 1 82 LYS QD 6.040 . 6.040 4.654 4.067 5.452 . 0 0 "[ . 1 . 2]" 1
1252 1 76 SER HA 1 78 MET H 5.450 . 5.450 3.368 3.000 3.721 . 0 0 "[ . 1 . 2]" 1
1253 1 76 SER HA 1 81 MET H 6.070 . 6.070 4.560 4.072 5.384 . 0 0 "[ . 1 . 2]" 1
1254 1 76 SER HA 1 81 MET QB 5.920 . 5.920 2.291 1.855 3.049 . 0 0 "[ . 1 . 2]" 1
1255 1 76 SER HA 1 81 MET QG 5.650 . 5.650 2.597 2.033 3.181 . 0 0 "[ . 1 . 2]" 1
1256 1 76 SER HA 1 82 LYS H 4.800 . 4.800 3.460 3.041 4.293 . 0 0 "[ . 1 . 2]" 1
1257 1 76 SER HA 1 82 LYS QB 5.610 . 5.610 3.753 3.206 5.205 . 0 0 "[ . 1 . 2]" 1
1258 1 76 SER HA 1 82 LYS QD 5.660 . 5.660 5.457 4.829 5.739 0.079 13 0 "[ . 1 . 2]" 1
1259 1 76 SER QB 1 81 MET H 6.100 . 6.100 3.786 2.976 5.600 . 0 0 "[ . 1 . 2]" 1
1260 1 76 SER QB 1 82 LYS H 4.630 . 4.630 2.331 1.871 4.382 . 0 0 "[ . 1 . 2]" 1
1261 1 76 SER QB 1 82 LYS QB 3.730 . 3.730 1.977 1.523 3.337 . 0 0 "[ . 1 . 2]" 1
1262 1 76 SER QB 1 82 LYS QD 4.200 . 4.200 3.530 3.173 3.828 . 0 0 "[ . 1 . 2]" 1
1263 1 76 SER QB 1 82 LYS QG 5.410 . 5.410 3.825 1.923 4.872 . 0 0 "[ . 1 . 2]" 1
1264 1 76 SER HB2 1 82 LYS QB 4.290 . 4.290 2.564 1.528 4.382 0.092 12 0 "[ . 1 . 2]" 1
1265 1 76 SER HB2 1 82 LYS QD 5.050 . 5.050 4.232 3.352 5.178 0.128 10 0 "[ . 1 . 2]" 1
1266 1 76 SER HB3 1 82 LYS QB 4.290 . 4.290 2.798 1.783 4.357 0.067 20 0 "[ . 1 . 2]" 1
1267 1 76 SER HB3 1 82 LYS QD 5.050 . 5.050 4.053 3.621 4.951 . 0 0 "[ . 1 . 2]" 1
1268 1 77 HIS H 1 78 MET H 4.600 . 4.600 2.290 1.753 2.579 . 0 0 "[ . 1 . 2]" 1
1269 1 77 HIS HA 1 77 HIS HD2 3.960 . 3.960 3.164 2.461 4.019 0.059 17 0 "[ . 1 . 2]" 1
1270 1 77 HIS QB 1 78 MET ME 4.620 . 4.620 3.684 3.042 4.151 . 0 0 "[ . 1 . 2]" 1
1271 1 77 HIS QB 1 78 MET QG 4.160 . 4.160 3.008 2.401 3.609 . 0 0 "[ . 1 . 2]" 1
1272 1 77 HIS QB 1 81 MET ME 3.910 . 3.910 3.133 2.720 3.540 . 0 0 "[ . 1 . 2]" 1
1273 1 77 HIS HB2 1 78 MET H 5.600 . 5.600 3.338 2.617 3.719 . 0 0 "[ . 1 . 2]" 1
1274 1 77 HIS HB2 1 78 MET ME 5.380 . 5.380 3.821 3.118 4.291 . 0 0 "[ . 1 . 2]" 1
1275 1 77 HIS HB2 1 81 MET ME 4.790 . 4.790 3.204 2.774 3.647 . 0 0 "[ . 1 . 2]" 1
1276 1 77 HIS HB3 1 78 MET H 5.600 . 5.600 4.198 3.566 4.420 . 0 0 "[ . 1 . 2]" 1
1277 1 77 HIS HB3 1 78 MET ME 5.380 . 5.380 4.865 4.091 5.523 0.143 7 0 "[ . 1 . 2]" 1
1278 1 77 HIS HB3 1 81 MET ME 4.790 . 4.790 4.442 3.710 4.787 . 0 0 "[ . 1 . 2]" 1
1279 1 77 HIS HD2 1 81 MET ME 4.600 . 4.600 3.383 2.271 4.591 . 0 0 "[ . 1 . 2]" 1
1280 1 78 MET H 1 78 MET QG 5.070 . 5.070 2.688 2.514 3.056 . 0 0 "[ . 1 . 2]" 1
1281 1 78 MET H 1 81 MET QB 4.770 . 4.770 2.567 2.184 2.917 . 0 0 "[ . 1 . 2]" 1
1282 1 78 MET H 1 81 MET ME 5.450 . 5.450 4.653 3.847 5.295 . 0 0 "[ . 1 . 2]" 1
1283 1 78 MET ME 1 81 MET HA 6.300 . 6.300 4.783 3.483 6.483 0.183 2 0 "[ . 1 . 2]" 1
1284 1 78 MET ME 1 81 MET ME 4.430 . 4.430 3.938 3.117 4.485 0.055 19 0 "[ . 1 . 2]" 1
1285 1 78 MET QG 1 81 MET ME 4.210 . 4.210 4.277 4.111 4.429 0.219 14 0 "[ . 1 . 2]" 1
1286 1 81 MET H 1 82 LYS H 4.320 . 4.320 2.578 2.395 2.871 . 0 0 "[ . 1 . 2]" 1
1287 1 81 MET HA 1 81 MET ME 5.110 . 5.110 4.653 4.120 4.856 . 0 0 "[ . 1 . 2]" 1
1288 1 81 MET HA 1 84 ALA H 5.930 . 5.930 4.248 3.757 4.760 . 0 0 "[ . 1 . 2]" 1
1289 1 81 MET HA 1 84 ALA MB 4.320 . 4.320 2.810 2.292 3.465 . 0 0 "[ . 1 . 2]" 1
1290 1 81 MET QB 1 81 MET ME 3.850 . 3.850 3.608 3.576 3.712 . 0 0 "[ . 1 . 2]" 1
1291 1 81 MET QB 1 82 LYS H 4.500 . 4.500 2.526 2.169 2.906 . 0 0 "[ . 1 . 2]" 1
1292 1 81 MET QG 1 82 LYS H 5.540 . 5.540 3.583 3.306 4.285 . 0 0 "[ . 1 . 2]" 1
1293 1 82 LYS H 1 82 LYS QB 3.750 . 3.750 2.294 2.232 2.359 . 0 0 "[ . 1 . 2]" 1
1294 1 82 LYS H 1 83 GLY H 5.710 . 5.710 4.574 4.507 4.633 . 0 0 "[ . 1 . 2]" 1
1295 1 82 LYS HA 1 83 GLY HA2 5.250 . 5.250 4.444 4.387 4.491 . 0 0 "[ . 1 . 2]" 1
1296 1 82 LYS HA 1 84 ALA H 5.200 . 5.200 3.464 3.371 3.738 . 0 0 "[ . 1 . 2]" 1
1297 1 82 LYS QB 1 83 GLY H 5.220 . 5.220 3.765 3.229 3.913 . 0 0 "[ . 1 . 2]" 1
1298 1 82 LYS QB 1 84 ALA H 5.580 . 5.580 4.816 4.654 4.933 . 0 0 "[ . 1 . 2]" 1
1299 1 82 LYS QE 1 82 LYS QG 3.340 . 3.340 2.309 2.168 2.433 . 0 0 "[ . 1 . 2]" 1
1300 1 82 LYS QG 1 83 GLY HA2 5.420 . 5.420 3.942 3.549 5.630 0.210 20 0 "[ . 1 . 2]" 1
1301 1 82 LYS QG 1 83 GLY HA3 6.100 . 6.100 3.775 3.432 5.671 . 0 0 "[ . 1 . 2]" 1
1302 1 82 LYS HG2 1 83 GLY H 5.220 . 5.220 3.361 2.741 4.907 . 0 0 "[ . 1 . 2]" 1
1303 1 82 LYS HG3 1 83 GLY H 5.220 . 5.220 3.310 2.894 5.028 . 0 0 "[ . 1 . 2]" 1
1304 1 83 GLY H 1 84 ALA H 4.350 . 4.350 2.580 2.444 2.882 . 0 0 "[ . 1 . 2]" 1
1305 1 84 ALA HA 1 85 THR H 3.660 . 3.660 2.243 2.167 2.339 . 0 0 "[ . 1 . 2]" 1
1306 1 84 ALA MB 1 85 THR H 4.000 . 4.000 2.736 2.486 2.931 . 0 0 "[ . 1 . 2]" 1
1307 1 84 ALA MB 1 85 THR HB 5.200 . 5.200 4.722 4.547 4.840 . 0 0 "[ . 1 . 2]" 1
1308 1 84 ALA MB 1 86 ALA MB 4.690 . 4.690 4.049 3.750 4.361 . 0 0 "[ . 1 . 2]" 1
1309 1 85 THR H 1 85 THR HB 3.830 . 3.830 2.598 2.540 2.735 . 0 0 "[ . 1 . 2]" 1
1310 1 85 THR H 1 85 THR MG 4.550 . 4.550 3.851 3.828 3.877 . 0 0 "[ . 1 . 2]" 1
1311 1 85 THR HA 1 86 ALA MB 4.970 . 4.970 4.032 3.962 4.084 . 0 0 "[ . 1 . 2]" 1
1312 1 85 THR HB 1 86 ALA H 5.130 . 5.130 4.284 4.220 4.435 . 0 0 "[ . 1 . 2]" 1
1313 1 85 THR MG 1 86 ALA H 4.040 . 4.040 2.969 2.822 3.234 . 0 0 "[ . 1 . 2]" 1
1314 1 85 THR MG 1 86 ALA HA 5.950 . 5.950 4.070 3.919 4.348 . 0 0 "[ . 1 . 2]" 1
1315 1 86 ALA MB 1 87 GLU H 4.230 . 4.230 2.699 2.420 3.046 . 0 0 "[ . 1 . 2]" 1
1316 1 86 ALA MB 1 87 GLU HA 5.760 . 5.760 4.081 3.841 4.348 . 0 0 "[ . 1 . 2]" 1
1317 1 87 GLU H 1 88 ILE H 5.800 . 5.800 4.321 4.240 4.380 . 0 0 "[ . 1 . 2]" 1
1318 1 87 GLU HA 1 88 ILE QG 5.090 . 5.090 3.671 3.484 3.952 . 0 0 "[ . 1 . 2]" 1
1319 1 87 GLU QB 1 88 ILE H 5.020 . 5.020 3.763 2.893 3.972 . 0 0 "[ . 1 . 2]" 1
1320 1 87 GLU HG2 1 88 ILE H 5.330 . 5.330 3.453 2.890 5.062 . 0 0 "[ . 1 . 2]" 1
1321 1 87 GLU HG3 1 88 ILE H 5.330 . 5.330 3.629 3.028 5.034 . 0 0 "[ . 1 . 2]" 1
1322 1 88 ILE H 1 88 ILE HB 4.370 . 4.370 2.633 2.517 2.703 . 0 0 "[ . 1 . 2]" 1
1323 1 88 ILE H 1 88 ILE MD 4.850 . 4.850 3.177 2.960 3.366 . 0 0 "[ . 1 . 2]" 1
1324 1 88 ILE H 1 88 ILE HG12 4.990 . 4.990 2.076 1.966 2.254 . 0 0 "[ . 1 . 2]" 1
1325 1 88 ILE H 1 88 ILE QG 4.090 . 4.090 2.063 1.956 2.235 . 0 0 "[ . 1 . 2]" 1
1326 1 88 ILE H 1 88 ILE HG13 4.990 . 4.990 3.580 3.496 3.681 . 0 0 "[ . 1 . 2]" 1
1327 1 88 ILE HA 1 88 ILE MD 4.060 . 4.060 2.234 2.101 2.298 . 0 0 "[ . 1 . 2]" 1
1328 1 88 ILE HA 1 90 SER H 5.050 . 5.050 3.519 3.338 3.669 . 0 0 "[ . 1 . 2]" 1
1329 1 88 ILE MD 1 88 ILE MG 3.850 . 3.850 2.084 2.061 2.104 . 0 0 "[ . 1 . 2]" 1
1330 1 88 ILE MD 1 89 ASP H 5.240 . 5.240 4.077 3.834 4.207 . 0 0 "[ . 1 . 2]" 1
1331 1 88 ILE QG 1 89 ASP H 5.920 . 5.920 4.899 4.801 4.967 . 0 0 "[ . 1 . 2]" 1
1332 1 88 ILE MG 1 89 ASP H 4.740 . 4.740 3.283 3.014 3.486 . 0 0 "[ . 1 . 2]" 1
1333 1 88 ILE MG 1 90 SER H 4.280 . 4.280 2.615 2.374 2.833 . 0 0 "[ . 1 . 2]" 1
1334 1 88 ILE MG 1 91 ALA MB 4.610 . 4.610 2.868 2.444 3.194 . 0 0 "[ . 1 . 2]" 1
1335 1 89 ASP H 1 90 SER H 4.070 . 4.070 2.439 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
1336 1 89 ASP QB 1 90 SER H 4.360 . 4.360 2.700 2.585 2.778 . 0 0 "[ . 1 . 2]" 1
1337 1 89 ASP HB2 1 90 SER H 5.130 . 5.130 3.372 2.630 4.045 . 0 0 "[ . 1 . 2]" 1
1338 1 89 ASP HB3 1 90 SER H 5.130 . 5.130 3.297 2.678 3.903 . 0 0 "[ . 1 . 2]" 1
1339 1 90 SER HA 1 91 ALA MB 5.470 . 5.470 3.981 3.810 4.058 . 0 0 "[ . 1 . 2]" 1
1340 1 90 SER QB 1 91 ALA H 4.050 . 4.050 3.320 2.677 3.644 . 0 0 "[ . 1 . 2]" 1
1341 1 90 SER QB 1 91 ALA MB 6.300 . 6.300 4.807 4.390 5.007 . 0 0 "[ . 1 . 2]" 1
1342 1 91 ALA MB 1 92 GLU H 4.610 . 4.610 3.004 2.769 3.116 . 0 0 "[ . 1 . 2]" 1
1343 1 91 ALA MB 1 92 GLU HA 5.910 . 5.910 4.152 3.925 4.381 . 0 0 "[ . 1 . 2]" 1
1344 1 92 GLU H 1 92 GLU QG 5.070 . 5.070 4.131 3.251 4.386 . 0 0 "[ . 1 . 2]" 1
1345 1 92 GLU HA 1 93 LYS H 3.560 . 3.560 2.212 2.151 2.320 . 0 0 "[ . 1 . 2]" 1
1346 1 92 GLU HA 1 93 LYS QD 5.600 . 5.600 4.287 2.762 5.929 0.329 11 0 "[ . 1 . 2]" 1
1347 1 92 GLU QB 1 93 LYS H 4.610 . 4.610 3.694 3.114 3.934 . 0 0 "[ . 1 . 2]" 1
1348 1 92 GLU QB 1 94 THR HB 5.380 . 5.380 4.081 2.841 4.969 . 0 0 "[ . 1 . 2]" 1
1349 1 92 GLU QB 1 94 THR MG 4.870 . 4.870 2.927 2.379 3.317 . 0 0 "[ . 1 . 2]" 1
1350 1 92 GLU QG 1 93 LYS H 5.090 . 5.090 3.120 2.518 4.596 . 0 0 "[ . 1 . 2]" 1
1351 1 92 GLU QG 1 94 THR HB 4.740 . 4.740 2.623 2.050 4.704 . 0 0 "[ . 1 . 2]" 1
1352 1 92 GLU QG 1 94 THR MG 4.480 . 4.480 2.570 2.050 3.781 . 0 0 "[ . 1 . 2]" 1
1353 1 93 LYS H 1 93 LYS HB2 4.280 . 4.280 2.588 2.361 3.851 . 0 0 "[ . 1 . 2]" 1
1354 1 93 LYS H 1 93 LYS HB3 4.280 . 4.280 3.549 2.608 3.744 . 0 0 "[ . 1 . 2]" 1
1355 1 93 LYS H 1 93 LYS QG 4.840 . 4.840 3.245 2.431 4.126 . 0 0 "[ . 1 . 2]" 1
1356 1 93 LYS H 1 94 THR MG 6.290 . 6.290 4.498 4.143 4.801 . 0 0 "[ . 1 . 2]" 1
1357 1 93 LYS HA 1 93 LYS QD 4.730 . 4.730 2.668 1.928 3.891 . 0 0 "[ . 1 . 2]" 1
1358 1 93 LYS HA 1 94 THR H 3.560 . 3.560 2.211 2.145 2.280 . 0 0 "[ . 1 . 2]" 1
1359 1 93 LYS QB 1 94 THR MG 6.100 . 6.100 4.993 4.888 5.121 . 0 0 "[ . 1 . 2]" 1
1360 1 93 LYS HB2 1 94 THR H 5.750 . 5.750 4.498 3.899 4.623 . 0 0 "[ . 1 . 2]" 1
1361 1 93 LYS HB3 1 94 THR H 5.750 . 5.750 4.030 3.844 4.455 . 0 0 "[ . 1 . 2]" 1
1362 1 93 LYS QD 1 94 THR H 5.520 . 5.520 4.419 3.391 5.173 . 0 0 "[ . 1 . 2]" 1
1363 1 93 LYS QG 1 94 THR H 5.120 . 5.120 4.576 3.744 4.956 . 0 0 "[ . 1 . 2]" 1
1364 1 94 THR H 1 94 THR MG 4.340 . 4.340 2.320 2.271 2.394 . 0 0 "[ . 1 . 2]" 1
1365 1 94 THR HB 1 95 THR H 5.510 . 5.510 3.891 3.815 4.002 . 0 0 "[ . 1 . 2]" 1
1366 1 94 THR MG 1 95 THR H 4.460 . 4.460 3.729 3.547 3.830 . 0 0 "[ . 1 . 2]" 1
1367 1 94 THR MG 1 95 THR HA 5.810 . 5.810 4.406 4.148 4.649 . 0 0 "[ . 1 . 2]" 1
1368 1 94 THR MG 1 96 VAL H 6.300 . 6.300 4.618 4.149 5.031 . 0 0 "[ . 1 . 2]" 1
1369 1 94 THR MG 1 96 VAL MG1 3.550 . 3.550 2.344 1.971 2.668 . 0 0 "[ . 1 . 2]" 1
1370 1 94 THR MG 1 96 VAL MG2 4.870 . 4.870 4.145 3.806 4.485 . 0 0 "[ . 1 . 2]" 1
1371 1 94 THR MG 1 117 THR HA 6.090 . 6.090 4.500 4.074 4.964 . 0 0 "[ . 1 . 2]" 1
1372 1 94 THR MG 1 117 THR HB 4.500 . 4.500 3.708 2.809 4.496 . 0 0 "[ . 1 . 2]" 1
1373 1 94 THR MG 1 117 THR MG 4.000 . 4.000 2.131 1.926 2.306 . 0 0 "[ . 1 . 2]" 1
1374 1 95 THR H 1 95 THR HB 4.250 . 4.250 2.668 2.473 3.602 . 0 0 "[ . 1 . 2]" 1
1375 1 95 THR H 1 118 GLU HB2 5.460 . 5.460 4.793 3.550 5.484 0.024 16 0 "[ . 1 . 2]" 1
1376 1 95 THR H 1 118 GLU QB 4.750 . 4.750 4.237 3.377 4.825 0.075 16 0 "[ . 1 . 2]" 1
1377 1 95 THR H 1 118 GLU HB3 5.460 . 5.460 4.791 3.641 5.518 0.058 1 0 "[ . 1 . 2]" 1
1378 1 95 THR HA 1 96 VAL MG1 5.420 . 5.420 3.936 3.812 4.059 . 0 0 "[ . 1 . 2]" 1
1379 1 95 THR HA 1 96 VAL MG2 6.010 . 6.010 3.637 3.558 3.718 . 0 0 "[ . 1 . 2]" 1
1380 1 95 THR HA 1 97 TYR QE 5.720 . 5.720 5.379 4.741 5.649 . 0 0 "[ . 1 . 2]" 1
1381 1 95 THR HB 1 97 TYR QE 4.300 . 4.300 3.243 2.533 3.766 . 0 0 "[ . 1 . 2]" 1
1382 1 95 THR HB 1 118 GLU QB 4.590 . 4.590 3.230 2.244 4.258 . 0 0 "[ . 1 . 2]" 1
1383 1 95 THR MG 1 96 VAL H 4.170 . 4.170 2.824 2.612 3.788 . 0 0 "[ . 1 . 2]" 1
1384 1 95 THR MG 1 97 TYR QD 4.750 . 4.750 3.762 3.573 5.003 0.253 18 0 "[ . 1 . 2]" 1
1385 1 95 THR MG 1 97 TYR QE 3.640 . 3.640 2.976 2.778 3.672 0.032 18 0 "[ . 1 . 2]" 1
1386 1 95 THR MG 1 118 GLU QB 5.590 . 5.590 4.006 3.343 5.297 . 0 0 "[ . 1 . 2]" 1
1387 1 96 VAL H 1 96 VAL MG2 4.360 . 4.360 2.140 2.066 2.235 . 0 0 "[ . 1 . 2]" 1
1388 1 96 VAL HA 1 97 TYR QD 4.410 . 4.410 3.431 3.070 3.814 . 0 0 "[ . 1 . 2]" 1
1389 1 96 VAL HA 1 117 THR HA 4.540 . 4.540 2.384 1.955 2.778 . 0 0 "[ . 1 . 2]" 1
1390 1 96 VAL HB 1 97 TYR H 4.850 . 4.850 3.070 2.926 3.171 . 0 0 "[ . 1 . 2]" 1
1391 1 96 VAL HB 1 115 TRP QB 4.950 . 4.950 2.174 1.813 2.658 . 0 0 "[ . 1 . 2]" 1
1392 1 96 VAL HB 1 115 TRP HE3 4.240 . 4.240 2.613 2.351 2.960 . 0 0 "[ . 1 . 2]" 1
1393 1 96 VAL MG1 1 97 TYR H 4.620 . 4.620 3.814 3.679 3.908 . 0 0 "[ . 1 . 2]" 1
1394 1 96 VAL MG1 1 115 TRP QB 4.260 . 4.260 2.696 2.355 3.134 . 0 0 "[ . 1 . 2]" 1
1395 1 96 VAL MG1 1 115 TRP HE3 4.380 . 4.380 4.185 3.893 4.440 0.060 15 0 "[ . 1 . 2]" 1
1396 1 96 VAL MG1 1 116 VAL H 5.760 . 5.760 4.308 4.043 4.813 . 0 0 "[ . 1 . 2]" 1
1397 1 96 VAL MG1 1 116 VAL MG1 5.970 . 5.970 5.710 5.511 5.891 . 0 0 "[ . 1 . 2]" 1
1398 1 96 VAL MG1 1 116 VAL MG2 4.970 . 4.970 5.014 4.909 5.098 0.128 1 0 "[ . 1 . 2]" 1
1399 1 96 VAL MG1 1 117 THR HA 5.640 . 5.640 3.235 2.628 3.771 . 0 0 "[ . 1 . 2]" 1
1400 1 96 VAL MG1 1 117 THR MG 4.140 . 4.140 2.050 1.651 2.705 . 0 0 "[ . 1 . 2]" 1
1401 1 96 VAL MG2 1 115 TRP HE3 4.650 . 4.650 3.099 2.620 3.514 . 0 0 "[ . 1 . 2]" 1
1402 1 96 VAL MG2 1 115 TRP HZ3 6.010 . 6.010 3.450 3.030 3.980 . 0 0 "[ . 1 . 2]" 1
1403 1 97 TYR H 1 97 TYR QD 3.810 . 3.810 2.796 2.545 3.134 . 0 0 "[ . 1 . 2]" 1
1404 1 97 TYR H 1 116 VAL H 4.990 . 4.990 3.104 2.315 3.725 . 0 0 "[ . 1 . 2]" 1
1405 1 97 TYR H 1 116 VAL MG2 5.110 . 5.110 2.937 2.672 3.217 . 0 0 "[ . 1 . 2]" 1
1406 1 97 TYR H 1 117 THR HA 5.650 . 5.650 3.365 2.908 3.873 . 0 0 "[ . 1 . 2]" 1
1407 1 97 TYR HA 1 97 TYR QD 4.140 . 4.140 2.915 2.673 3.070 . 0 0 "[ . 1 . 2]" 1
1408 1 97 TYR QB 1 98 MET H 4.700 . 4.700 2.876 2.276 3.179 . 0 0 "[ . 1 . 2]" 1
1409 1 97 TYR QB 1 99 VAL MG1 4.340 . 4.340 2.355 2.129 2.528 . 0 0 "[ . 1 . 2]" 1
1410 1 97 TYR QB 1 99 VAL MG2 6.100 . 6.100 3.989 3.769 4.153 . 0 0 "[ . 1 . 2]" 1
1411 1 97 TYR QB 1 116 VAL MG2 3.860 . 3.860 2.275 1.878 2.671 . 0 0 "[ . 1 . 2]" 1
1412 1 97 TYR QB 1 121 LEU MD1 4.690 . 4.690 2.427 2.068 2.911 . 0 0 "[ . 1 . 2]" 1
1413 1 97 TYR HB2 1 99 VAL MG1 5.110 . 5.110 2.742 2.474 2.950 . 0 0 "[ . 1 . 2]" 1
1414 1 97 TYR HB2 1 116 VAL MG2 4.730 . 4.730 2.301 1.890 2.714 . 0 0 "[ . 1 . 2]" 1
1415 1 97 TYR HB2 1 121 LEU MD1 5.540 . 5.540 2.493 2.108 2.985 . 0 0 "[ . 1 . 2]" 1
1416 1 97 TYR HB3 1 99 VAL MG1 5.110 . 5.110 2.585 2.244 2.839 . 0 0 "[ . 1 . 2]" 1
1417 1 97 TYR HB3 1 116 VAL MG2 4.730 . 4.730 3.613 3.223 3.987 . 0 0 "[ . 1 . 2]" 1
1418 1 97 TYR HB3 1 121 LEU MD1 5.540 . 5.540 3.359 2.983 4.040 . 0 0 "[ . 1 . 2]" 1
1419 1 97 TYR QD 1 98 MET H 5.820 . 5.820 3.943 3.441 4.281 . 0 0 "[ . 1 . 2]" 1
1420 1 97 TYR QD 1 116 VAL MG2 3.970 . 3.970 3.309 2.690 4.003 0.033 11 0 "[ . 1 . 2]" 1
1421 1 97 TYR QD 1 117 THR HA 4.240 . 4.240 3.023 2.333 3.691 . 0 0 "[ . 1 . 2]" 1
1422 1 97 TYR QD 1 118 GLU HA 4.350 . 4.350 3.559 3.061 4.178 . 0 0 "[ . 1 . 2]" 1
1423 1 97 TYR QD 1 121 LEU MD1 3.910 . 3.910 2.635 2.280 3.156 . 0 0 "[ . 1 . 2]" 1
1424 1 97 TYR QD 1 121 LEU MD2 6.300 . 6.300 4.855 4.509 5.258 . 0 0 "[ . 1 . 2]" 1
1425 1 97 TYR QE 1 117 THR HA 5.940 . 5.940 3.946 3.355 4.827 . 0 0 "[ . 1 . 2]" 1
1426 1 97 TYR QE 1 118 GLU H 4.150 . 4.150 2.758 2.244 3.464 . 0 0 "[ . 1 . 2]" 1
1427 1 97 TYR QE 1 118 GLU HA 3.270 . 3.270 2.730 1.808 3.301 0.031 3 0 "[ . 1 . 2]" 1
1428 1 97 TYR QE 1 118 GLU HB2 4.360 . 4.360 2.040 1.575 4.261 . 0 0 "[ . 1 . 2]" 1
1429 1 97 TYR QE 1 118 GLU QB 3.580 . 3.580 2.001 1.571 3.689 0.109 1 0 "[ . 1 . 2]" 1
1430 1 97 TYR QE 1 118 GLU HB3 4.360 . 4.360 3.497 3.100 4.041 . 0 0 "[ . 1 . 2]" 1
1431 1 97 TYR QE 1 118 GLU QG 4.160 . 4.160 3.435 1.871 4.259 0.099 6 0 "[ . 1 . 2]" 1
1432 1 97 TYR QE 1 121 LEU MD1 4.240 . 4.240 3.614 3.088 4.049 . 0 0 "[ . 1 . 2]" 1
1433 1 98 MET H 1 99 VAL MG1 5.520 . 5.520 3.945 3.431 4.275 . 0 0 "[ . 1 . 2]" 1
1434 1 98 MET HA 1 99 VAL MG2 5.090 . 5.090 3.772 3.602 3.910 . 0 0 "[ . 1 . 2]" 1
1435 1 98 MET HA 1 114 LYS HA 5.200 . 5.200 3.595 3.187 4.027 . 0 0 "[ . 1 . 2]" 1
1436 1 98 MET HA 1 115 TRP HE3 5.490 . 5.490 4.087 3.392 5.167 . 0 0 "[ . 1 . 2]" 1
1437 1 98 MET HB2 1 99 VAL H 6.110 . 6.110 4.452 4.347 4.528 . 0 0 "[ . 1 . 2]" 1
1438 1 98 MET HB2 1 115 TRP HZ3 4.030 . 4.030 2.871 2.090 3.931 . 0 0 "[ . 1 . 2]" 1
1439 1 98 MET HB3 1 99 VAL H 6.300 . 6.300 4.378 4.261 4.461 . 0 0 "[ . 1 . 2]" 1
1440 1 98 MET HB3 1 114 LYS QG 6.100 . 6.100 4.917 4.049 6.261 0.161 16 0 "[ . 1 . 2]" 1
1441 1 98 MET HB3 1 115 TRP HZ3 5.490 . 5.490 4.182 3.450 5.422 . 0 0 "[ . 1 . 2]" 1
1442 1 98 MET ME 1 98 MET HG2 3.860 . 3.860 2.635 2.475 3.427 . 0 0 "[ . 1 . 2]" 1
1443 1 98 MET ME 1 98 MET QG 3.190 . 3.190 2.486 2.410 2.628 . 0 0 "[ . 1 . 2]" 1
1444 1 98 MET ME 1 98 MET HG3 3.860 . 3.860 3.348 2.463 3.442 . 0 0 "[ . 1 . 2]" 1
1445 1 98 MET ME 1 112 ASN QB 4.780 . 4.780 3.872 3.124 4.767 . 0 0 "[ . 1 . 2]" 1
1446 1 98 MET ME 1 114 LYS HE2 5.420 . 5.420 4.492 3.445 5.450 0.030 6 0 "[ . 1 . 2]" 1
1447 1 98 MET ME 1 114 LYS HE3 5.420 . 5.420 4.484 3.454 5.500 0.080 20 0 "[ . 1 . 2]" 1
1448 1 98 MET ME 1 114 LYS QG 6.100 . 6.100 5.020 4.411 6.015 . 0 0 "[ . 1 . 2]" 1
1449 1 98 MET QG 1 112 ASN HA 4.440 . 4.440 2.177 1.879 2.624 . 0 0 "[ . 1 . 2]" 1
1450 1 98 MET QG 1 113 HIS H 6.100 . 6.100 3.834 3.401 4.206 . 0 0 "[ . 1 . 2]" 1
1451 1 98 MET QG 1 114 LYS QG 5.280 . 5.280 2.898 2.405 4.078 . 0 0 "[ . 1 . 2]" 1
1452 1 98 MET HG2 1 99 VAL H 5.350 . 5.350 3.534 3.112 3.814 . 0 0 "[ . 1 . 2]" 1
1453 1 98 MET HG2 1 112 ASN HA 5.040 . 5.040 2.301 1.920 2.679 . 0 0 "[ . 1 . 2]" 1
1454 1 98 MET HG3 1 99 VAL H 5.350 . 5.350 3.662 3.344 4.922 . 0 0 "[ . 1 . 2]" 1
1455 1 98 MET HG3 1 112 ASN HA 5.040 . 5.040 2.820 2.216 3.758 . 0 0 "[ . 1 . 2]" 1
1456 1 99 VAL H 1 99 VAL MG2 4.220 . 4.220 2.244 2.176 2.304 . 0 0 "[ . 1 . 2]" 1
1457 1 99 VAL H 1 112 ASN HA 5.620 . 5.620 3.867 3.029 4.600 . 0 0 "[ . 1 . 2]" 1
1458 1 99 VAL H 1 113 HIS H 5.180 . 5.180 3.376 3.013 3.617 . 0 0 "[ . 1 . 2]" 1
1459 1 99 VAL H 1 113 HIS QB 5.300 . 5.300 3.254 2.929 3.718 . 0 0 "[ . 1 . 2]" 1
1460 1 99 VAL HB 1 100 ASP H 4.560 . 4.560 2.679 2.281 2.912 . 0 0 "[ . 1 . 2]" 1
1461 1 99 VAL HB 1 121 LEU MD2 5.840 . 5.840 4.387 3.878 5.014 . 0 0 "[ . 1 . 2]" 1
1462 1 99 VAL MG1 1 100 ASP H 5.190 . 5.190 3.724 3.608 3.825 . 0 0 "[ . 1 . 2]" 1
1463 1 99 VAL MG1 1 116 VAL HB 6.300 . 6.300 4.669 4.349 5.084 . 0 0 "[ . 1 . 2]" 1
1464 1 99 VAL MG1 1 116 VAL MG2 3.460 . 3.460 2.462 2.121 2.886 . 0 0 "[ . 1 . 2]" 1
1465 1 99 VAL MG1 1 121 LEU MD1 4.250 . 4.250 2.353 2.121 2.884 . 0 0 "[ . 1 . 2]" 1
1466 1 99 VAL MG1 1 121 LEU MD2 4.600 . 4.600 2.821 2.153 3.344 . 0 0 "[ . 1 . 2]" 1
1467 1 99 VAL MG2 1 100 ASP H 5.410 . 5.410 3.725 3.420 3.906 . 0 0 "[ . 1 . 2]" 1
1468 1 99 VAL MG2 1 101 TYR QB 5.100 . 5.100 3.643 3.013 4.031 . 0 0 "[ . 1 . 2]" 1
1469 1 99 VAL MG2 1 101 TYR QD 3.550 . 3.550 2.457 2.075 2.894 . 0 0 "[ . 1 . 2]" 1
1470 1 99 VAL MG2 1 113 HIS H 5.200 . 5.200 3.693 3.448 3.844 . 0 0 "[ . 1 . 2]" 1
1471 1 99 VAL MG2 1 113 HIS HB2 4.830 . 4.830 3.716 3.412 3.984 . 0 0 "[ . 1 . 2]" 1
1472 1 99 VAL MG2 1 113 HIS QB 3.960 . 3.960 2.345 2.085 2.568 . 0 0 "[ . 1 . 2]" 1
1473 1 99 VAL MG2 1 113 HIS HB3 4.830 . 4.830 2.372 2.104 2.608 . 0 0 "[ . 1 . 2]" 1
1474 1 99 VAL MG2 1 113 HIS HD2 4.410 . 4.410 2.863 2.340 3.923 . 0 0 "[ . 1 . 2]" 1
1475 1 100 ASP HA 1 111 LYS HA 4.530 . 4.530 2.392 1.884 2.881 . 0 0 "[ . 1 . 2]" 1
1476 1 100 ASP HA 1 111 LYS QB 5.290 . 5.290 4.146 3.411 4.951 . 0 0 "[ . 1 . 2]" 1
1477 1 100 ASP HA 1 112 ASN H 5.020 . 5.020 3.004 2.435 3.542 . 0 0 "[ . 1 . 2]" 1
1478 1 100 ASP HA 1 113 HIS H 5.630 . 5.630 3.541 3.318 3.801 . 0 0 "[ . 1 . 2]" 1
1479 1 100 ASP QB 1 111 LYS QB 5.330 . 5.330 3.409 2.480 4.395 . 0 0 "[ . 1 . 2]" 1
1480 1 101 TYR H 1 101 TYR QD 4.200 . 4.200 2.837 2.545 3.055 . 0 0 "[ . 1 . 2]" 1
1481 1 101 TYR H 1 110 VAL HB 4.800 . 4.800 3.568 2.925 4.180 . 0 0 "[ . 1 . 2]" 1
1482 1 101 TYR H 1 110 VAL MG1 5.440 . 5.440 4.196 3.882 4.539 . 0 0 "[ . 1 . 2]" 1
1483 1 101 TYR H 1 111 LYS HA 5.470 . 5.470 3.610 3.044 4.289 . 0 0 "[ . 1 . 2]" 1
1484 1 101 TYR HA 1 101 TYR QD 4.400 . 4.400 3.817 3.792 3.826 . 0 0 "[ . 1 . 2]" 1
1485 1 101 TYR QB 1 102 THR H 4.260 . 4.260 2.324 2.113 2.642 . 0 0 "[ . 1 . 2]" 1
1486 1 101 TYR HB2 1 102 THR H 5.070 . 5.070 2.347 2.128 2.681 . 0 0 "[ . 1 . 2]" 1
1487 1 101 TYR HB3 1 102 THR H 5.070 . 5.070 3.743 3.565 3.987 . 0 0 "[ . 1 . 2]" 1
1488 1 101 TYR QD 1 102 THR H 4.220 . 4.220 3.164 2.968 3.400 . 0 0 "[ . 1 . 2]" 1
1489 1 101 TYR QD 1 102 THR HA 4.360 . 4.360 3.763 3.500 4.052 . 0 0 "[ . 1 . 2]" 1
1490 1 101 TYR QD 1 102 THR HB 5.910 . 5.910 4.913 4.751 5.088 . 0 0 "[ . 1 . 2]" 1
1491 1 101 TYR QD 1 103 SER HA 4.530 . 4.530 2.951 2.634 3.429 . 0 0 "[ . 1 . 2]" 1
1492 1 101 TYR QD 1 103 SER QB 6.300 . 6.300 4.047 3.527 4.618 . 0 0 "[ . 1 . 2]" 1
1493 1 101 TYR QD 1 104 THR MG 5.600 . 5.600 4.776 4.186 5.326 . 0 0 "[ . 1 . 2]" 1
1494 1 101 TYR QD 1 110 VAL MG1 4.030 . 4.030 4.012 3.719 4.217 0.187 7 0 "[ . 1 . 2]" 1
1495 1 101 TYR QD 1 110 VAL MG2 4.570 . 4.570 4.084 3.545 4.500 . 0 0 "[ . 1 . 2]" 1
1496 1 101 TYR QD 1 113 HIS HB2 4.410 . 4.410 3.694 2.867 4.415 0.005 7 0 "[ . 1 . 2]" 1
1497 1 101 TYR QD 1 113 HIS QB 3.780 . 3.780 3.071 2.492 3.439 . 0 0 "[ . 1 . 2]" 1
1498 1 101 TYR QD 1 113 HIS HB3 4.410 . 4.410 3.298 2.737 3.772 . 0 0 "[ . 1 . 2]" 1
1499 1 101 TYR QE 1 103 SER QB 4.020 . 4.020 2.998 2.080 3.957 . 0 0 "[ . 1 . 2]" 1
1500 1 101 TYR QE 1 104 THR H 5.640 . 5.640 4.785 4.131 5.593 . 0 0 "[ . 1 . 2]" 1
1501 1 101 TYR QE 1 110 VAL HB 4.230 . 4.230 3.097 2.784 3.314 . 0 0 "[ . 1 . 2]" 1
1502 1 101 TYR QE 1 110 VAL MG1 3.530 . 3.530 2.881 2.484 3.156 . 0 0 "[ . 1 . 2]" 1
1503 1 101 TYR QE 1 110 VAL MG2 4.170 . 4.170 3.066 2.612 3.454 . 0 0 "[ . 1 . 2]" 1
1504 1 101 TYR QE 1 113 HIS HB2 4.640 . 4.640 2.403 1.974 3.082 . 0 0 "[ . 1 . 2]" 1
1505 1 101 TYR QE 1 113 HIS QB 3.780 . 3.780 2.174 1.892 2.487 . 0 0 "[ . 1 . 2]" 1
1506 1 101 TYR QE 1 113 HIS HB3 4.640 . 4.640 2.675 1.946 3.210 . 0 0 "[ . 1 . 2]" 1
1507 1 102 THR H 1 102 THR HB 4.180 . 4.180 2.670 2.598 2.742 . 0 0 "[ . 1 . 2]" 1
1508 1 102 THR H 1 103 SER H 5.620 . 5.620 4.283 4.151 4.456 . 0 0 "[ . 1 . 2]" 1
1509 1 102 THR H 1 104 THR MG 5.720 . 5.720 5.167 4.500 5.730 0.010 16 0 "[ . 1 . 2]" 1
1510 1 102 THR HA 1 109 LYS HA 4.090 . 4.090 2.231 1.882 2.801 . 0 0 "[ . 1 . 2]" 1
1511 1 102 THR HA 1 110 VAL H 5.210 . 5.210 3.017 2.620 3.486 . 0 0 "[ . 1 . 2]" 1
1512 1 102 THR HA 1 110 VAL MG2 5.350 . 5.350 4.154 3.579 4.897 . 0 0 "[ . 1 . 2]" 1
1513 1 102 THR MG 1 103 SER H 4.330 . 4.330 2.999 2.603 3.328 . 0 0 "[ . 1 . 2]" 1
1514 1 102 THR MG 1 103 SER QB 5.440 . 5.440 4.098 3.705 4.674 . 0 0 "[ . 1 . 2]" 1
1515 1 102 THR MG 1 107 GLY H 5.320 . 5.320 4.059 3.762 4.491 . 0 0 "[ . 1 . 2]" 1
1516 1 102 THR MG 1 107 GLY HA2 4.500 . 4.500 2.898 2.456 3.288 . 0 0 "[ . 1 . 2]" 1
1517 1 102 THR MG 1 107 GLY QA 3.860 . 3.860 2.844 2.421 3.213 . 0 0 "[ . 1 . 2]" 1
1518 1 102 THR MG 1 107 GLY HA3 4.500 . 4.500 4.133 3.680 4.566 0.066 9 0 "[ . 1 . 2]" 1
1519 1 102 THR MG 1 108 GLU H 5.700 . 5.700 4.143 3.329 4.643 . 0 0 "[ . 1 . 2]" 1
1520 1 102 THR MG 1 108 GLU HA 5.200 . 5.200 4.310 3.413 4.818 . 0 0 "[ . 1 . 2]" 1
1521 1 102 THR MG 1 109 LYS HA 4.940 . 4.940 3.210 2.705 3.832 . 0 0 "[ . 1 . 2]" 1
1522 1 102 THR MG 1 109 LYS QG 4.570 . 4.570 3.244 2.110 4.594 0.024 15 0 "[ . 1 . 2]" 1
1523 1 103 SER H 1 108 GLU H 5.710 . 5.710 4.072 3.431 4.773 . 0 0 "[ . 1 . 2]" 1
1524 1 103 SER H 1 109 LYS HA 5.090 . 5.090 3.388 2.830 4.110 . 0 0 "[ . 1 . 2]" 1
1525 1 103 SER H 1 110 VAL MG2 5.120 . 5.120 3.295 2.757 4.100 . 0 0 "[ . 1 . 2]" 1
1526 1 103 SER QB 1 104 THR H 5.340 . 5.340 3.655 3.052 3.958 . 0 0 "[ . 1 . 2]" 1
1527 1 103 SER QB 1 107 GLY H 5.020 . 5.020 3.121 1.853 3.992 . 0 0 "[ . 1 . 2]" 1
1528 1 103 SER QB 1 108 GLU H 4.660 . 4.660 2.851 1.972 4.102 . 0 0 "[ . 1 . 2]" 1
1529 1 103 SER QB 1 108 GLU QB 4.870 . 4.870 2.973 1.897 3.863 . 0 0 "[ . 1 . 2]" 1
1530 1 103 SER QB 1 110 VAL MG2 4.740 . 4.740 3.012 2.337 3.829 . 0 0 "[ . 1 . 2]" 1
1531 1 104 THR H 1 104 THR MG 3.970 . 3.970 2.198 2.069 2.377 . 0 0 "[ . 1 . 2]" 1
1532 1 104 THR H 1 105 THR H 5.130 . 5.130 2.758 2.624 2.921 . 0 0 "[ . 1 . 2]" 1
1533 1 104 THR HA 1 104 THR MG 3.560 . 3.560 2.399 2.352 2.455 . 0 0 "[ . 1 . 2]" 1
1534 1 104 THR MG 1 105 THR H 5.660 . 5.660 4.039 3.876 4.188 . 0 0 "[ . 1 . 2]" 1
1535 1 106 SER QB 1 107 GLY H 4.430 . 4.430 3.041 2.419 3.912 . 0 0 "[ . 1 . 2]" 1
1536 1 106 SER QB 1 108 GLU H 4.620 . 4.620 2.687 2.165 3.659 . 0 0 "[ . 1 . 2]" 1
1537 1 106 SER HB2 1 108 GLU H 5.460 . 5.460 3.097 2.222 4.279 . 0 0 "[ . 1 . 2]" 1
1538 1 106 SER HB3 1 108 GLU H 5.460 . 5.460 3.349 2.348 4.407 . 0 0 "[ . 1 . 2]" 1
1539 1 107 GLY H 1 108 GLU H 4.590 . 4.590 2.546 1.916 2.940 . 0 0 "[ . 1 . 2]" 1
1540 1 108 GLU H 1 108 GLU QB 3.810 . 3.810 2.294 2.180 2.597 . 0 0 "[ . 1 . 2]" 1
1541 1 108 GLU H 1 108 GLU HG2 5.540 . 5.540 4.335 2.232 4.779 . 0 0 "[ . 1 . 2]" 1
1542 1 108 GLU H 1 108 GLU QG 4.700 . 4.700 3.851 2.214 4.121 . 0 0 "[ . 1 . 2]" 1
1543 1 108 GLU H 1 108 GLU HG3 5.540 . 5.540 4.402 3.442 4.681 . 0 0 "[ . 1 . 2]" 1
1544 1 108 GLU HA 1 109 LYS H 3.520 . 3.520 2.199 2.161 2.265 . 0 0 "[ . 1 . 2]" 1
1545 1 108 GLU HA 1 109 LYS QB 5.110 . 5.110 4.433 4.008 4.647 . 0 0 "[ . 1 . 2]" 1
1546 1 108 GLU QB 1 109 LYS H 4.380 . 4.380 3.686 3.082 3.973 . 0 0 "[ . 1 . 2]" 1
1547 1 108 GLU QB 1 110 VAL MG2 4.880 . 4.880 3.300 2.110 4.051 . 0 0 "[ . 1 . 2]" 1
1548 1 108 GLU QG 1 109 LYS H 4.840 . 4.840 3.067 2.348 4.709 . 0 0 "[ . 1 . 2]" 1
1549 1 108 GLU QG 1 110 VAL MG2 4.620 . 4.620 2.711 2.088 3.473 . 0 0 "[ . 1 . 2]" 1
1550 1 108 GLU HG2 1 109 LYS H 5.500 . 5.500 4.006 2.814 5.209 . 0 0 "[ . 1 . 2]" 1
1551 1 108 GLU HG2 1 110 VAL MG2 5.400 . 5.400 3.250 2.108 4.408 . 0 0 "[ . 1 . 2]" 1
1552 1 108 GLU HG3 1 109 LYS H 5.500 . 5.500 3.275 2.515 5.372 . 0 0 "[ . 1 . 2]" 1
1553 1 108 GLU HG3 1 110 VAL MG2 5.400 . 5.400 3.358 2.145 4.944 . 0 0 "[ . 1 . 2]" 1
1554 1 109 LYS H 1 109 LYS QB 3.820 . 3.820 2.501 2.277 2.922 . 0 0 "[ . 1 . 2]" 1
1555 1 109 LYS H 1 109 LYS QG 4.460 . 4.460 2.804 1.817 4.078 . 0 0 "[ . 1 . 2]" 1
1556 1 109 LYS HA 1 110 VAL H 3.680 . 3.680 2.166 2.102 2.241 . 0 0 "[ . 1 . 2]" 1
1557 1 109 LYS HA 1 110 VAL MG2 5.060 . 5.060 3.730 3.330 4.080 . 0 0 "[ . 1 . 2]" 1
1558 1 109 LYS QB 1 110 VAL H 5.220 . 5.220 3.537 3.090 3.938 . 0 0 "[ . 1 . 2]" 1
1559 1 109 LYS QB 1 110 VAL MG2 6.300 . 6.300 4.792 4.601 4.956 . 0 0 "[ . 1 . 2]" 1
1560 1 109 LYS QD 1 110 VAL H 5.930 . 5.930 5.066 3.158 6.015 0.085 12 0 "[ . 1 . 2]" 1
1561 1 109 LYS QG 1 110 VAL H 5.130 . 5.130 4.211 2.585 4.998 . 0 0 "[ . 1 . 2]" 1
1562 1 110 VAL H 1 110 VAL HB 4.390 . 4.390 2.615 2.544 2.709 . 0 0 "[ . 1 . 2]" 1
1563 1 110 VAL H 1 110 VAL MG2 4.170 . 4.170 2.541 2.187 2.736 . 0 0 "[ . 1 . 2]" 1
1564 1 110 VAL HA 1 111 LYS H 3.490 . 3.490 2.184 2.133 2.224 . 0 0 "[ . 1 . 2]" 1
1565 1 110 VAL HA 1 111 LYS QB 6.100 . 6.100 4.449 4.274 4.590 . 0 0 "[ . 1 . 2]" 1
1566 1 110 VAL HA 1 111 LYS QD 6.300 . 6.300 4.646 2.921 5.923 . 0 0 "[ . 1 . 2]" 1
1567 1 110 VAL HA 1 111 LYS QG 5.210 . 5.210 4.168 3.435 5.043 . 0 0 "[ . 1 . 2]" 1
1568 1 110 VAL HB 1 111 LYS H 5.790 . 5.790 4.272 4.128 4.421 . 0 0 "[ . 1 . 2]" 1
1569 1 110 VAL MG1 1 111 LYS H 4.330 . 4.330 2.887 2.644 3.229 . 0 0 "[ . 1 . 2]" 1
1570 1 110 VAL MG1 1 111 LYS HA 5.330 . 5.330 4.005 3.741 4.274 . 0 0 "[ . 1 . 2]" 1
1571 1 110 VAL MG1 1 113 HIS H 6.210 . 6.210 3.611 3.359 4.157 . 0 0 "[ . 1 . 2]" 1
1572 1 110 VAL MG1 1 113 HIS HA 5.430 . 5.430 3.543 3.307 4.082 . 0 0 "[ . 1 . 2]" 1
1573 1 110 VAL MG1 1 113 HIS HB2 5.190 . 5.190 2.250 1.851 3.217 . 0 0 "[ . 1 . 2]" 1
1574 1 110 VAL MG1 1 113 HIS QB 4.340 . 4.340 2.230 1.843 3.160 . 0 0 "[ . 1 . 2]" 1
1575 1 110 VAL MG1 1 113 HIS HB3 5.190 . 5.190 3.700 3.294 4.636 . 0 0 "[ . 1 . 2]" 1
1576 1 110 VAL MG2 1 111 LYS H 5.090 . 5.090 4.181 4.086 4.297 . 0 0 "[ . 1 . 2]" 1
1577 1 111 LYS H 1 111 LYS QB 3.820 . 3.820 2.822 2.427 3.104 . 0 0 "[ . 1 . 2]" 1
1578 1 111 LYS H 1 111 LYS HG2 4.980 . 4.980 3.208 2.080 4.320 . 0 0 "[ . 1 . 2]" 1
1579 1 111 LYS H 1 111 LYS QG 4.270 . 4.270 2.657 1.947 3.723 . 0 0 "[ . 1 . 2]" 1
1580 1 111 LYS H 1 111 LYS HG3 4.980 . 4.980 3.250 1.955 4.076 . 0 0 "[ . 1 . 2]" 1
1581 1 111 LYS HA 1 111 LYS QD 4.510 . 4.510 3.925 2.013 4.581 0.071 16 0 "[ . 1 . 2]" 1
1582 1 111 LYS QB 1 112 ASN H 4.630 . 4.630 2.767 2.236 3.149 . 0 0 "[ . 1 . 2]" 1
1583 1 111 LYS QB 1 112 ASN QD 5.330 . 5.330 4.044 2.125 5.008 . 0 0 "[ . 1 . 2]" 1
1584 1 111 LYS HB2 1 112 ASN H 5.500 . 5.500 3.196 2.258 4.225 . 0 0 "[ . 1 . 2]" 1
1585 1 111 LYS HB3 1 112 ASN H 5.500 . 5.500 3.575 2.631 4.140 . 0 0 "[ . 1 . 2]" 1
1586 1 112 ASN H 1 113 HIS H 4.910 . 4.910 2.856 2.706 3.048 . 0 0 "[ . 1 . 2]" 1
1587 1 113 HIS HD2 1 116 VAL MG1 4.590 . 4.590 2.189 1.843 2.705 . 0 0 "[ . 1 . 2]" 1
1588 1 113 HIS HD2 1 116 VAL MG2 4.840 . 4.840 3.290 2.747 3.913 . 0 0 "[ . 1 . 2]" 1
1589 1 114 LYS HA 1 115 TRP HA 4.090 . 4.090 1.794 1.671 2.035 . 0 0 "[ . 1 . 2]" 1
1590 1 114 LYS HA 1 115 TRP HE3 4.470 . 4.470 3.626 3.077 4.210 . 0 0 "[ . 1 . 2]" 1
1591 1 114 LYS HA 1 116 VAL H 5.510 . 5.510 3.359 2.817 3.893 . 0 0 "[ . 1 . 2]" 1
1592 1 114 LYS QD 1 115 TRP HZ2 3.970 . 3.970 3.023 2.749 3.269 . 0 0 "[ . 1 . 2]" 1
1593 1 114 LYS QE 1 115 TRP HH2 4.200 . 4.200 3.578 2.902 4.367 0.167 4 0 "[ . 1 . 2]" 1
1594 1 114 LYS QE 1 115 TRP HZ2 4.820 . 4.820 4.077 3.012 4.845 0.025 19 0 "[ . 1 . 2]" 1
1595 1 115 TRP HA 1 115 TRP HE3 4.040 . 4.040 2.735 2.544 2.991 . 0 0 "[ . 1 . 2]" 1
1596 1 115 TRP HA 1 116 VAL MG2 5.410 . 5.410 3.724 3.563 3.887 . 0 0 "[ . 1 . 2]" 1
1597 1 115 TRP QB 1 115 TRP HD1 3.490 . 3.490 2.574 2.541 2.605 . 0 0 "[ . 1 . 2]" 1
1598 1 115 TRP QB 1 115 TRP HE3 3.830 . 3.830 2.706 2.613 2.814 . 0 0 "[ . 1 . 2]" 1
1599 1 115 TRP QB 1 116 VAL H 4.390 . 4.390 2.849 2.445 3.372 . 0 0 "[ . 1 . 2]" 1
1600 1 115 TRP HB2 1 116 VAL H 5.050 . 5.050 3.982 3.638 4.319 . 0 0 "[ . 1 . 2]" 1
1601 1 115 TRP HB3 1 116 VAL H 5.050 . 5.050 2.921 2.485 3.520 . 0 0 "[ . 1 . 2]" 1
1602 1 115 TRP HE3 1 116 VAL H 4.390 . 4.390 3.322 2.862 3.904 . 0 0 "[ . 1 . 2]" 1
1603 1 116 VAL H 1 116 VAL MG2 4.080 . 4.080 2.236 2.133 2.325 . 0 0 "[ . 1 . 2]" 1
1604 1 116 VAL HA 1 120 GLU QG 5.430 . 5.430 4.274 2.721 4.949 . 0 0 "[ . 1 . 2]" 1
1605 1 116 VAL HB 1 117 THR H 4.860 . 4.860 2.742 2.292 3.046 . 0 0 "[ . 1 . 2]" 1
1606 1 116 VAL HB 1 121 LEU MD1 5.390 . 5.390 3.624 2.913 4.235 . 0 0 "[ . 1 . 2]" 1
1607 1 116 VAL HB 1 121 LEU MD2 5.060 . 5.060 3.028 2.295 3.584 . 0 0 "[ . 1 . 2]" 1
1608 1 116 VAL MG1 1 117 THR H 5.290 . 5.290 3.794 3.632 3.925 . 0 0 "[ . 1 . 2]" 1
1609 1 116 VAL MG1 1 120 GLU QB 4.940 . 4.940 3.609 2.891 4.665 . 0 0 "[ . 1 . 2]" 1
1610 1 116 VAL MG1 1 121 LEU MD2 4.690 . 4.690 3.216 2.743 3.847 . 0 0 "[ . 1 . 2]" 1
1611 1 116 VAL MG1 1 121 LEU HG 5.150 . 5.150 4.497 4.107 5.069 . 0 0 "[ . 1 . 2]" 1
1612 1 116 VAL MG2 1 120 GLU QB 6.100 . 6.100 4.186 3.514 5.752 . 0 0 "[ . 1 . 2]" 1
1613 1 116 VAL MG2 1 121 LEU MD1 3.930 . 3.930 2.249 2.022 2.864 . 0 0 "[ . 1 . 2]" 1
1614 1 116 VAL MG2 1 121 LEU MD2 3.640 . 3.640 2.350 1.867 2.833 . 0 0 "[ . 1 . 2]" 1
1615 1 116 VAL MG2 1 121 LEU HG 5.150 . 5.150 3.219 2.908 3.661 . 0 0 "[ . 1 . 2]" 1
1616 1 117 THR H 1 120 GLU QB 5.450 . 5.450 2.534 1.993 3.781 . 0 0 "[ . 1 . 2]" 1
1617 1 117 THR HB 1 118 GLU H 4.640 . 4.640 2.341 2.006 3.821 . 0 0 "[ . 1 . 2]" 1
1618 1 117 THR HB 1 118 GLU QB 5.220 . 5.220 3.892 3.417 5.199 . 0 0 "[ . 1 . 2]" 1
1619 1 117 THR HB 1 119 ASP H 4.950 . 4.950 2.821 2.430 3.609 . 0 0 "[ . 1 . 2]" 1
1620 1 118 GLU HA 1 121 LEU QB 5.320 . 5.320 2.748 1.973 3.608 . 0 0 "[ . 1 . 2]" 1
1621 1 118 GLU HA 1 121 LEU MD1 4.840 . 4.840 3.058 2.381 3.581 . 0 0 "[ . 1 . 2]" 1
1622 1 118 GLU HA 1 121 LEU MD2 5.660 . 5.660 5.005 4.310 5.493 . 0 0 "[ . 1 . 2]" 1
1623 1 118 GLU QB 1 119 ASP H 4.270 . 4.270 2.740 2.327 3.165 . 0 0 "[ . 1 . 2]" 1
1624 1 118 GLU HB2 1 119 ASP H 5.070 . 5.070 3.901 2.711 4.175 . 0 0 "[ . 1 . 2]" 1
1625 1 118 GLU HB3 1 119 ASP H 5.070 . 5.070 2.852 2.350 3.801 . 0 0 "[ . 1 . 2]" 1
1626 1 118 GLU QG 1 119 ASP H 5.410 . 5.410 3.883 3.478 4.291 . 0 0 "[ . 1 . 2]" 1
1627 1 118 GLU QG 1 121 LEU MD1 6.020 . 6.020 4.531 3.592 5.667 . 0 0 "[ . 1 . 2]" 1
1628 1 119 ASP HA 1 121 LEU H 5.530 . 5.530 3.896 3.566 4.134 . 0 0 "[ . 1 . 2]" 1
1629 1 120 GLU H 1 120 GLU HG2 5.590 . 5.590 3.677 2.253 4.691 . 0 0 "[ . 1 . 2]" 1
1630 1 120 GLU H 1 120 GLU QG 4.730 . 4.730 2.803 2.223 4.016 . 0 0 "[ . 1 . 2]" 1
1631 1 120 GLU H 1 120 GLU HG3 5.590 . 5.590 3.103 2.390 4.545 . 0 0 "[ . 1 . 2]" 1
1632 1 120 GLU H 1 121 LEU H 4.090 . 4.090 2.464 2.307 2.629 . 0 0 "[ . 1 . 2]" 1
1633 1 120 GLU HB2 1 121 LEU H 5.810 . 5.810 3.752 3.319 4.507 . 0 0 "[ . 1 . 2]" 1
1634 1 120 GLU HB3 1 121 LEU H 5.810 . 5.810 4.234 3.230 4.483 . 0 0 "[ . 1 . 2]" 1
1635 1 121 LEU H 1 121 LEU MD1 5.180 . 5.180 4.132 3.979 4.225 . 0 0 "[ . 1 . 2]" 1
1636 1 121 LEU H 1 121 LEU MD2 5.280 . 5.280 3.762 3.596 3.892 . 0 0 "[ . 1 . 2]" 1
1637 1 121 LEU H 1 121 LEU HG 4.550 . 4.550 3.031 2.754 3.193 . 0 0 "[ . 1 . 2]" 1
1638 1 121 LEU H 1 122 SER H 5.750 . 5.750 4.443 4.273 4.541 . 0 0 "[ . 1 . 2]" 1
1639 1 121 LEU HA 1 121 LEU MD2 4.280 . 4.280 2.143 2.019 2.315 . 0 0 "[ . 1 . 2]" 1
1640 1 121 LEU HB2 1 122 SER H 4.910 . 4.910 3.794 3.263 4.275 . 0 0 "[ . 1 . 2]" 1
1641 1 121 LEU HB3 1 122 SER H 4.910 . 4.910 2.735 2.309 3.463 . 0 0 "[ . 1 . 2]" 1
1642 1 121 LEU MD2 1 122 SER H 5.230 . 5.230 3.613 3.391 3.823 . 0 0 "[ . 1 . 2]" 1
1643 1 122 SER HA 1 123 ALA H 3.600 . 3.600 2.264 2.187 2.378 . 0 0 "[ . 1 . 2]" 1
1644 1 122 SER HA 1 123 ALA MB 4.540 . 4.540 4.087 3.998 4.192 . 0 0 "[ . 1 . 2]" 1
1645 1 122 SER QB 1 123 ALA H 4.690 . 4.690 3.283 2.720 3.855 . 0 0 "[ . 1 . 2]" 1
1646 1 122 SER QB 1 123 ALA MB 6.100 . 6.100 4.579 4.151 5.105 . 0 0 "[ . 1 . 2]" 1
1647 1 122 SER HB2 1 123 ALA H 5.430 . 5.430 4.094 3.343 4.351 . 0 0 "[ . 1 . 2]" 1
1648 1 122 SER HB3 1 123 ALA H 5.430 . 5.430 3.560 2.778 4.388 . 0 0 "[ . 1 . 2]" 1
1649 1 123 ALA H 1 124 LYS H 5.780 . 5.780 4.602 4.252 4.734 . 0 0 "[ . 1 . 2]" 1
1650 1 123 ALA HA 1 124 LYS H 3.650 . 3.650 2.294 2.152 2.530 . 0 0 "[ . 1 . 2]" 1
1651 1 123 ALA MB 1 124 LYS H 4.290 . 4.290 2.877 2.342 3.482 . 0 0 "[ . 1 . 2]" 1
1652 1 123 ALA MB 1 124 LYS HA 6.300 . 6.300 4.471 4.103 4.993 . 0 0 "[ . 1 . 2]" 1
1653 1 124 LYS H 1 124 LYS HB2 4.230 . 4.230 2.668 2.431 3.157 . 0 0 "[ . 1 . 2]" 1
1654 1 124 LYS H 1 124 LYS QB 3.690 . 3.690 2.355 2.198 2.971 . 0 0 "[ . 1 . 2]" 1
1655 1 124 LYS H 1 124 LYS HB3 4.230 . 4.230 2.649 2.380 3.620 . 0 0 "[ . 1 . 2]" 1
1656 1 124 LYS HA 1 124 LYS QG 3.900 . 3.900 2.854 2.357 3.094 . 0 0 "[ . 1 . 2]" 1
1657 1 124 LYS QG 1 125 LEU H 5.490 . 5.490 3.590 1.824 4.320 . 0 0 "[ . 1 . 2]" 1
1658 1 125 LEU H 1 125 LEU HG 4.840 . 4.840 3.962 2.768 4.656 . 0 0 "[ . 1 . 2]" 1
1659 1 125 LEU HA 1 125 LEU QD 4.030 . 4.030 2.431 2.020 3.451 . 0 0 "[ . 1 . 2]" 1
1660 1 125 LEU HB2 1 126 GLU H 6.010 . 6.010 3.511 2.065 4.418 . 0 0 "[ . 1 . 2]" 1
1661 1 125 LEU HB3 1 126 GLU H 6.010 . 6.010 3.374 2.071 4.501 . 0 0 "[ . 1 . 2]" 1
1662 1 125 LEU HG 1 126 GLU H 6.010 . 6.010 3.963 1.848 5.480 . 0 0 "[ . 1 . 2]" 1
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