NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550765 |
2llt   |
18088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2llt
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 2653
_Distance_constraint_stats_list.Viol_count 5436
_Distance_constraint_stats_list.Viol_total 27524.074
_Distance_constraint_stats_list.Viol_max 2.697
_Distance_constraint_stats_list.Viol_rms 0.1498
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0259
_Distance_constraint_stats_list.Viol_average_violations_only 0.2532
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.029 0.006 7 0 "[ . 1 . 2]"
1 3 GLU 13.530 0.613 9 5 "[ * +1 * .-* 2]"
1 4 LEU 7.022 0.280 16 0 "[ . 1 . 2]"
1 5 GLU 9.368 0.594 2 6 "[*+**. - 1 . * 2]"
1 6 THR 39.849 0.765 2 20 [*+*****-************]
1 7 ALA 28.344 0.765 2 20 [*+****************-*]
1 8 MET 47.531 1.520 10 20 [*********+***-******]
1 9 GLU 68.975 1.756 15 20 [**************+***-*]
1 10 THR 107.871 1.756 15 20 [**************+***-*]
1 11 LEU 10.595 0.278 13 0 "[ . 1 . 2]"
1 12 ILE 37.709 1.098 6 20 [*****+*************-]
1 13 ASN 37.748 1.098 6 20 [*-***+**************]
1 14 VAL 9.608 0.443 5 0 "[ . 1 . 2]"
1 15 PHE 0.879 0.110 5 0 "[ . 1 . 2]"
1 16 HIS 0.159 0.087 10 0 "[ . 1 . 2]"
1 17 ALA 15.889 0.738 20 7 "[ -* . 1 * * * *+]"
1 18 HIS 3.671 0.370 18 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.784 0.388 7 0 "[ . 1 . 2]"
1 21 LYS 10.019 0.938 10 8 "[ **. *+- **. * 2]"
1 22 GLU 0.383 0.104 2 0 "[ . 1 . 2]"
1 23 GLY 0.074 0.023 5 0 "[ . 1 . 2]"
1 24 ASP 2.508 0.320 3 0 "[ . 1 . 2]"
1 25 LYS 0.400 0.071 13 0 "[ . 1 . 2]"
1 26 TYR 0.802 0.083 5 0 "[ . 1 . 2]"
1 27 LYS 2.544 0.320 3 0 "[ . 1 . 2]"
1 28 LEU 20.006 1.023 16 8 "[ *.** 1*** -+ 2]"
1 29 SER 59.155 2.691 13 19 "[************+***** -]"
1 30 LYS 4.609 0.576 6 1 "[ .+ 1 . 2]"
1 31 LYS 29.763 0.426 3 0 "[ . 1 . 2]"
1 32 GLU 29.995 0.938 10 8 "[ **. *+- **. * 2]"
1 33 LEU 4.809 0.392 7 0 "[ . 1 . 2]"
1 34 LYS 5.212 0.642 17 3 "[ . 1 *.-+ 2]"
1 35 GLU 1.096 0.098 9 0 "[ . 1 . 2]"
1 36 LEU 45.480 2.557 18 19 "[**************- *+**]"
1 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLN 9.205 0.393 7 0 "[ . 1 . 2]"
1 39 THR 5.812 0.273 18 0 "[ . 1 . 2]"
1 40 GLU 44.282 1.933 5 19 "[****+*****-**** ****]"
1 41 LEU 122.330 2.557 18 20 [************-****+**]
1 42 SER 0.390 0.043 16 0 "[ . 1 . 2]"
1 43 GLY 0.085 0.079 5 0 "[ . 1 . 2]"
1 44 PHE 56.244 1.573 13 20 [************+*******]
1 45 LEU 1.322 0.134 10 0 "[ . 1 . 2]"
1 46 ASP 0.142 0.090 9 0 "[ . 1 . 2]"
1 47 ALA 1.019 0.276 13 0 "[ . 1 . 2]"
1 48 GLN 1.320 0.113 13 0 "[ . 1 . 2]"
1 49 LYS 1.470 0.276 13 0 "[ . 1 . 2]"
1 50 ASP 5.744 0.260 17 0 "[ . 1 . 2]"
1 51 VAL 2.227 0.263 9 0 "[ . 1 . 2]"
1 52 ASP 2.280 0.263 9 0 "[ . 1 . 2]"
1 53 ALA 21.790 1.243 9 16 "[***-.** +** **.*****]"
1 54 VAL 13.996 0.268 16 0 "[ . 1 . 2]"
1 55 ASP 0.586 0.040 16 0 "[ . 1 . 2]"
1 56 LYS 17.885 1.243 9 16 "[***-.** +** **.*****]"
1 57 VAL 3.277 0.366 4 0 "[ . 1 . 2]"
1 58 MET 8.244 0.393 7 0 "[ . 1 . 2]"
1 59 LYS 1.004 0.143 7 0 "[ . 1 . 2]"
1 60 GLU 1.586 0.864 4 1 "[ +. 1 . 2]"
1 61 LEU 1.537 0.101 20 0 "[ . 1 . 2]"
1 62 ASP 5.165 0.642 17 3 "[ . 1 *.-+ 2]"
1 63 GLU 0.469 0.022 16 0 "[ . 1 . 2]"
1 64 ASN 2.249 0.864 4 1 "[ +. 1 . 2]"
1 65 GLY 8.312 0.518 19 1 "[ . 1 . +2]"
1 66 ASP 1.207 0.332 12 0 "[ . 1 . 2]"
1 67 GLY 4.344 0.518 19 1 "[ . 1 . +2]"
1 68 GLU 61.338 2.691 13 19 "[************+*-*** *]"
1 69 VAL 1.033 0.357 10 0 "[ . 1 . 2]"
1 70 ASP 0.059 0.015 5 0 "[ . 1 . 2]"
1 71 PHE 0.875 0.115 10 0 "[ . 1 . 2]"
1 72 GLN 29.368 0.857 16 20 [***************+**-*]
1 73 GLU 3.921 0.324 20 0 "[ . 1 . 2]"
1 74 TYR 12.139 0.558 15 1 "[ . 1 + 2]"
1 75 VAL 19.730 1.158 20 20 [*******-***********+]
1 76 VAL 11.054 0.564 3 13 "[ +**** *1* * **- **]"
1 77 LEU 59.114 1.158 20 20 [****************-**+]
1 78 VAL 37.416 0.817 17 20 [***********-****+***]
1 79 ALA 7.330 0.399 5 0 "[ . 1 . 2]"
1 80 ALA 32.347 0.849 16 20 [**********-****+****]
1 81 LEU 25.873 0.368 15 0 "[ . 1 . 2]"
1 82 THR 9.277 0.390 16 0 "[ . 1 . 2]"
1 83 VAL 6.137 0.225 8 0 "[ . 1 . 2]"
1 84 ALA 4.314 0.260 17 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.003 0.003 3 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.203 0.047 7 0 "[ . 1 . 2]"
1 90 TRP 0.167 0.010 4 0 "[ . 1 . 2]"
1 91 GLU 4.036 0.678 17 2 "[ . 1 . + -2]"
1 92 ASN 0.091 0.026 7 0 "[ . 1 . 2]"
1 93 SER 1.561 0.327 11 0 "[ . 1 . 2]"
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 SER 0.028 0.007 10 0 "[ . 1 . 2]"
2 3 GLU 12.885 0.535 18 3 "[ . 1 * . +-2]"
2 4 LEU 7.123 0.311 15 0 "[ . 1 . 2]"
2 5 GLU 9.591 0.574 11 8 "[*- *. ** 1+ **. 2]"
2 6 THR 39.119 0.761 10 20 [*-*******+**********]
2 7 ALA 28.715 0.761 10 20 [*********+*****-****]
2 8 MET 48.097 1.534 12 20 [***********+-*******]
2 9 GLU 69.231 1.748 15 20 [********-*****+*****]
2 10 THR 109.249 1.748 15 20 [**************+-****]
2 11 LEU 10.541 0.280 16 0 "[ . 1 . 2]"
2 12 ILE 37.881 1.023 19 20 [******-***********+*]
2 13 ASN 36.376 1.023 19 20 [**-***************+*]
2 14 VAL 11.521 0.464 12 0 "[ . 1 . 2]"
2 15 PHE 0.836 0.128 7 0 "[ . 1 . 2]"
2 16 HIS 0.054 0.042 5 0 "[ . 1 . 2]"
2 17 ALA 15.569 0.767 9 9 "[**- * * +1 * * *2]"
2 18 HIS 2.916 0.212 18 0 "[ . 1 . 2]"
2 19 SER 0.005 0.005 6 0 "[ . 1 . 2]"
2 20 GLY 0.034 0.009 10 0 "[ . 1 . 2]"
2 21 LYS 9.401 0.873 18 10 "[ ***** 1 -*. *+ *]"
2 22 GLU 24.276 2.373 1 18 "[+***- * ************]"
2 23 GLY 0.061 0.010 4 0 "[ . 1 . 2]"
2 24 ASP 2.260 0.384 9 0 "[ . 1 . 2]"
2 25 LYS 0.347 0.083 5 0 "[ . 1 . 2]"
2 26 TYR 0.568 0.083 5 0 "[ . 1 . 2]"
2 27 LYS 2.533 0.384 9 0 "[ . 1 . 2]"
2 28 LEU 15.150 0.645 11 5 "[-* *. 1+ * . 2]"
2 29 SER 58.974 2.697 11 20 [**********+****-****]
2 30 LYS 3.455 0.481 6 0 "[ . 1 . 2]"
2 31 LYS 53.008 2.373 1 18 "[+***- * ************]"
2 32 GLU 29.584 0.873 18 10 "[ ***** 1 -*. *+ *]"
2 33 LEU 5.237 0.358 13 0 "[ . 1 . 2]"
2 34 LYS 5.990 0.608 13 3 "[ - 1 + .* 2]"
2 35 GLU 0.859 0.097 4 0 "[ . 1 . 2]"
2 36 LEU 48.094 2.129 1 20 [+**-****************]
2 37 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 GLN 10.956 0.404 17 0 "[ . 1 . 2]"
2 39 THR 5.694 0.274 14 0 "[ . 1 . 2]"
2 40 GLU 45.346 1.905 4 20 [***+*******-********]
2 41 LEU 120.980 2.129 1 20 [+*************-*****]
2 42 SER 0.369 0.042 10 0 "[ . 1 . 2]"
2 43 GLY 0.010 0.009 5 0 "[ . 1 . 2]"
2 44 PHE 50.190 1.551 4 20 [***+**********-*****]
2 45 LEU 1.674 0.135 7 0 "[ . 1 . 2]"
2 46 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ALA 1.057 0.157 11 0 "[ . 1 . 2]"
2 48 GLN 1.658 0.320 7 0 "[ . 1 . 2]"
2 49 LYS 1.648 0.317 16 0 "[ . 1 . 2]"
2 50 ASP 6.345 0.320 7 0 "[ . 1 . 2]"
2 51 VAL 2.269 0.272 15 0 "[ . 1 . 2]"
2 52 ASP 2.278 0.272 15 0 "[ . 1 . 2]"
2 53 ALA 20.254 1.237 20 14 "[* ***- *****. ***+]"
2 54 VAL 13.477 0.270 10 0 "[ . 1 . 2]"
2 55 ASP 0.689 0.096 17 0 "[ . 1 . 2]"
2 56 LYS 15.633 1.237 20 14 "[* ***- *****. ***+]"
2 57 VAL 2.665 0.220 3 0 "[ . 1 . 2]"
2 58 MET 9.632 0.404 17 0 "[ . 1 . 2]"
2 59 LYS 1.245 0.144 9 0 "[ . 1 . 2]"
2 60 GLU 1.660 0.927 12 1 "[ . 1 + . 2]"
2 61 LEU 1.456 0.087 5 0 "[ . 1 . 2]"
2 62 ASP 5.906 0.608 13 3 "[ - 1 + .* 2]"
2 63 GLU 0.380 0.020 16 0 "[ . 1 . 2]"
2 64 ASN 1.894 0.927 12 1 "[ . 1 + . 2]"
2 65 GLY 6.342 0.616 2 1 "[ + . 1 . 2]"
2 66 ASP 1.854 0.239 10 0 "[ . 1 . 2]"
2 67 GLY 3.569 0.616 2 1 "[ + . 1 . 2]"
2 68 GLU 61.489 2.697 11 20 [-*********+*********]
2 69 VAL 1.108 0.350 16 0 "[ . 1 . 2]"
2 70 ASP 0.046 0.014 16 0 "[ . 1 . 2]"
2 71 PHE 0.999 0.094 12 0 "[ . 1 . 2]"
2 72 GLN 25.796 0.849 16 20 [**********-****+****]
2 73 GLU 3.160 0.197 20 0 "[ . 1 . 2]"
2 74 TYR 12.400 0.385 3 0 "[ . 1 . 2]"
2 75 VAL 19.437 1.123 9 20 [*******-+***********]
2 76 VAL 11.867 0.580 20 17 "[***** * **-***.****+]"
2 77 LEU 58.054 1.123 9 20 [********+*-*********]
2 78 VAL 38.000 0.800 7 20 [******+***********-*]
2 79 ALA 7.120 0.375 16 0 "[ . 1 . 2]"
2 80 ALA 33.730 0.857 16 20 [***************+**-*]
2 81 LEU 25.071 0.354 11 0 "[ . 1 . 2]"
2 82 THR 8.911 0.343 1 0 "[ . 1 . 2]"
2 83 VAL 5.689 0.204 16 0 "[ . 1 . 2]"
2 84 ALA 4.134 0.274 16 0 "[ . 1 . 2]"
2 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 PHE 0.430 0.083 5 0 "[ . 1 . 2]"
2 90 TRP 0.159 0.012 10 0 "[ . 1 . 2]"
2 91 GLU 3.674 0.827 19 1 "[ . 1 . +2]"
2 92 ASN 0.101 0.029 5 0 "[ . 1 . 2]"
2 93 SER 1.325 0.312 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 SER H 3.240 . 3.240 2.243 2.154 2.549 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 SER HA 4.540 . 4.540 4.046 4.005 4.164 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 5 GLU QB . . 3.850 2.748 2.403 3.297 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 5 GLU H 4.450 . 4.450 3.603 3.382 3.779 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 5 GLU HA 5.140 . 5.140 5.082 4.933 5.146 0.006 7 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 5 GLU QB . . 3.850 2.273 2.025 2.574 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER H 1 5 GLU HG2 4.890 . 4.890 4.168 4.013 4.277 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER H 1 5 GLU QG 4.310 . 4.310 3.072 2.738 3.369 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER H 1 5 GLU HG3 4.890 . 4.890 3.172 2.779 3.560 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER H 1 6 THR H 4.530 . 4.530 4.428 4.213 4.533 0.003 6 0 "[ . 1 . 2]" 1
11 1 2 SER HA 1 3 GLU H 3.320 . 3.320 2.594 2.479 2.685 . 0 0 "[ . 1 . 2]" 1
12 1 2 SER HA 1 5 GLU H 4.800 . 4.800 4.564 4.458 4.651 . 0 0 "[ . 1 . 2]" 1
13 1 2 SER QB 1 3 GLU H 3.500 . 3.500 2.343 2.147 2.608 . 0 0 "[ . 1 . 2]" 1
14 1 2 SER QB 1 4 LEU H 4.210 . 4.210 2.867 2.362 3.238 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU H 1 3 GLU QB 3.300 . 3.300 2.224 2.111 2.477 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU H 1 4 LEU H 3.990 . 3.990 2.706 2.554 2.792 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU H 1 4 LEU HB2 4.950 . 4.950 4.794 4.577 4.934 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU H 1 5 GLU H 5.160 . 5.160 4.104 3.981 4.231 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU HA 1 3 GLU HG2 4.050 . 4.050 3.024 2.678 3.703 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU HA 1 3 GLU QG 3.270 . 3.270 2.504 2.263 3.349 0.079 7 0 "[ . 1 . 2]" 1
21 1 3 GLU HA 1 3 GLU HG3 4.050 . 4.050 2.700 2.441 4.024 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU HA 1 6 THR HB 4.340 . 4.340 4.744 4.517 4.953 0.613 9 5 "[ * +1 * .-* 2]" 1
23 1 3 GLU HA 1 6 THR MG 3.560 . 3.560 3.805 3.574 4.037 0.477 10 0 "[ . 1 . 2]" 1
24 1 3 GLU QB 1 4 LEU H 3.570 . 3.570 2.675 2.381 3.583 0.013 6 0 "[ . 1 . 2]" 1
25 1 3 GLU QB 1 7 ALA H 5.500 . 5.500 5.218 4.694 5.390 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLU QB 1 7 ALA MB 4.840 . 4.840 4.731 4.182 4.918 0.078 9 0 "[ . 1 . 2]" 1
27 1 3 GLU QB 2 10 THR MG 3.610 . 3.610 3.304 2.448 3.625 0.015 16 0 "[ . 1 . 2]" 1
28 1 3 GLU QG 1 4 LEU H 4.730 . 4.730 3.724 2.330 4.231 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU QG 1 7 ALA MB 4.410 . 4.410 3.846 3.723 3.996 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU QG 2 10 THR MG 3.310 . 3.310 2.115 2.018 2.324 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU HG2 2 10 THR MG 3.800 . 3.800 2.318 2.042 3.748 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU HG3 2 10 THR MG 3.800 . 3.800 3.150 2.301 3.568 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU H 1 4 LEU HB2 3.570 . 3.570 2.248 2.167 2.338 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU H 1 4 LEU QD 4.440 . 4.440 3.736 3.441 3.804 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU H 1 5 GLU H 3.940 . 3.940 2.653 2.557 2.709 . 0 0 "[ . 1 . 2]" 1
36 1 4 LEU H 2 14 VAL MG1 5.200 . 5.200 4.120 3.760 4.583 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU H 2 14 VAL MG2 5.200 . 5.200 3.348 3.028 3.974 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HA 1 4 LEU QD . . 3.180 2.692 2.006 3.033 . 0 0 "[ . 1 . 2]" 1
39 1 4 LEU HA 1 4 LEU HG 3.990 . 3.990 2.588 2.494 2.799 . 0 0 "[ . 1 . 2]" 1
40 1 4 LEU HA 1 7 ALA H 3.710 . 3.710 3.361 3.245 3.494 . 0 0 "[ . 1 . 2]" 1
41 1 4 LEU HA 1 7 ALA MB 3.520 . 3.520 2.490 2.360 2.633 . 0 0 "[ . 1 . 2]" 1
42 1 4 LEU HA 1 8 MET H 4.310 . 4.310 4.232 4.088 4.343 0.033 1 0 "[ . 1 . 2]" 1
43 1 4 LEU HA 2 11 LEU MD2 3.530 . 3.530 3.533 3.302 3.711 0.181 18 0 "[ . 1 . 2]" 1
44 1 4 LEU HB2 2 14 VAL HB 4.190 . 4.190 4.081 3.826 4.198 0.008 20 0 "[ . 1 . 2]" 1
45 1 4 LEU HB2 2 14 VAL MG1 4.650 . 4.650 2.488 2.190 2.830 . 0 0 "[ . 1 . 2]" 1
46 1 4 LEU HB2 2 14 VAL QG 3.240 . 3.240 2.211 2.074 2.443 . 0 0 "[ . 1 . 2]" 1
47 1 4 LEU HB2 2 14 VAL MG2 4.650 . 4.650 2.508 2.248 2.803 . 0 0 "[ . 1 . 2]" 1
48 1 4 LEU HB3 2 14 VAL QG 4.140 . 4.140 3.494 3.383 3.686 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU HB3 2 40 GLU QB 4.050 . 4.050 2.669 2.324 3.374 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU QD 1 7 ALA MB 3.230 . 3.230 2.925 2.683 3.497 0.267 15 0 "[ . 1 . 2]" 1
51 1 4 LEU QD 2 14 VAL HB 4.050 . 4.050 3.656 2.193 4.172 0.122 1 0 "[ . 1 . 2]" 1
52 1 4 LEU QD 2 14 VAL MG1 3.830 . 3.830 2.062 1.939 2.312 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU QD 2 14 VAL QG 3.200 . 3.200 2.000 1.763 2.159 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU QD 2 14 VAL MG2 3.830 . 3.830 2.996 2.025 3.389 . 0 0 "[ . 1 . 2]" 1
55 1 4 LEU QD 2 40 GLU HA 4.780 . 4.780 4.418 4.158 4.618 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU HG 1 7 ALA MB 4.080 . 4.080 3.858 3.488 3.913 . 0 0 "[ . 1 . 2]" 1
57 1 4 LEU HG 2 11 LEU MD1 4.200 . 4.200 2.358 2.215 2.818 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU HG 2 11 LEU MD2 4.260 . 4.260 3.606 3.261 3.815 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU HG 2 11 LEU HG 5.100 . 5.100 5.345 5.190 5.380 0.280 16 0 "[ . 1 . 2]" 1
60 1 4 LEU HG 2 14 VAL QG 4.410 . 4.410 2.534 2.053 3.940 . 0 0 "[ . 1 . 2]" 1
61 1 5 GLU H 1 5 GLU QB . . 3.760 2.362 2.283 2.436 . 0 0 "[ . 1 . 2]" 1
62 1 5 GLU H 1 5 GLU HG2 4.290 . 4.290 3.525 3.229 3.704 . 0 0 "[ . 1 . 2]" 1
63 1 5 GLU H 1 5 GLU QG 3.740 . 3.740 2.245 2.065 2.370 . 0 0 "[ . 1 . 2]" 1
64 1 5 GLU H 1 5 GLU HG3 4.290 . 4.290 2.271 2.088 2.399 . 0 0 "[ . 1 . 2]" 1
65 1 5 GLU H 1 6 THR H 3.830 . 3.830 2.684 2.516 2.733 . 0 0 "[ . 1 . 2]" 1
66 1 5 GLU H 1 7 ALA H 4.970 . 4.970 3.898 3.722 3.979 . 0 0 "[ . 1 . 2]" 1
67 1 5 GLU H 2 41 LEU QD 4.330 . 4.330 4.034 3.687 4.310 . 0 0 "[ . 1 . 2]" 1
68 1 5 GLU HA 2 41 LEU QD 4.130 . 4.130 3.115 2.871 3.386 . 0 0 "[ . 1 . 2]" 1
69 1 5 GLU HA 2 44 PHE QE 4.500 . 4.500 3.507 3.323 3.722 . 0 0 "[ . 1 . 2]" 1
70 1 5 GLU HA 2 44 PHE HZ 4.390 . 4.390 3.319 2.919 3.655 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLU QB 1 6 THR H . . 3.800 2.678 2.508 2.779 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLU QB 1 6 THR HB 5.050 . 5.050 5.518 5.349 5.644 0.594 2 6 "[*+**. - 1 . * 2]" 1
73 1 5 GLU QB 1 6 THR MG 4.360 . 4.360 3.409 3.121 3.622 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLU QB 1 7 ALA H 5.500 . 5.500 4.549 4.476 4.593 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLU QB 2 41 LEU QD 5.000 . 5.000 3.850 3.720 4.122 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLU QG 1 6 THR H 5.080 . 5.080 4.172 4.038 4.301 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLU QG 2 41 LEU QD 4.520 . 4.520 2.136 2.000 2.495 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLU QG 2 44 PHE QE 4.750 . 4.750 3.387 3.201 3.769 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR H 1 6 THR HB 3.460 . 3.460 3.640 3.578 3.663 0.203 16 0 "[ . 1 . 2]" 1
80 1 6 THR H 1 6 THR MG 3.680 . 3.680 2.547 2.392 2.670 . 0 0 "[ . 1 . 2]" 1
81 1 6 THR H 1 9 GLU QB 5.500 . 5.500 5.072 4.898 5.211 . 0 0 "[ . 1 . 2]" 1
82 1 6 THR HA 1 6 THR MG 3.210 . 3.210 2.228 2.170 2.302 . 0 0 "[ . 1 . 2]" 1
83 1 6 THR HA 1 9 GLU H 4.110 . 4.110 2.957 2.878 3.023 . 0 0 "[ . 1 . 2]" 1
84 1 6 THR HA 1 9 GLU QB 3.600 . 3.600 2.880 2.617 3.006 . 0 0 "[ . 1 . 2]" 1
85 1 6 THR HA 1 9 GLU QG 4.830 . 4.830 2.270 2.112 2.645 . 0 0 "[ . 1 . 2]" 1
86 1 6 THR MG 1 7 ALA H 3.430 . 3.430 4.126 4.061 4.195 0.765 2 20 [*+*****************-] 1
87 1 7 ALA H 1 7 ALA MB 2.920 . 2.920 2.214 2.186 2.242 . 0 0 "[ . 1 . 2]" 1
88 1 7 ALA H 1 8 MET HG2 5.150 . 5.150 4.555 4.447 4.694 . 0 0 "[ . 1 . 2]" 1
89 1 7 ALA H 1 9 GLU H 4.800 . 4.800 4.045 3.966 4.100 . 0 0 "[ . 1 . 2]" 1
90 1 7 ALA H 1 9 GLU QB 5.280 . 5.280 5.420 5.217 5.596 0.316 16 0 "[ . 1 . 2]" 1
91 1 7 ALA H 2 10 THR HB 5.500 . 5.500 4.954 4.867 5.020 . 0 0 "[ . 1 . 2]" 1
92 1 7 ALA H 2 11 LEU MD2 4.690 . 4.690 4.470 4.409 4.528 . 0 0 "[ . 1 . 2]" 1
93 1 7 ALA HA 1 10 THR HB 4.940 . 4.940 3.276 3.178 3.453 . 0 0 "[ . 1 . 2]" 1
94 1 7 ALA HA 1 10 THR MG 3.750 . 3.750 4.278 4.208 4.360 0.610 10 15 "[* *** **+** ** **-*]" 1
95 1 7 ALA HA 1 11 LEU MD2 4.510 . 4.510 4.109 4.026 4.227 . 0 0 "[ . 1 . 2]" 1
96 1 7 ALA HA 2 11 LEU MD2 5.000 . 5.000 4.016 3.956 4.098 . 0 0 "[ . 1 . 2]" 1
97 1 7 ALA MB 1 8 MET H 3.400 . 3.400 2.450 2.383 2.514 . 0 0 "[ . 1 . 2]" 1
98 1 7 ALA MB 1 8 MET ME 5.250 . 5.250 4.948 4.731 5.141 . 0 0 "[ . 1 . 2]" 1
99 1 7 ALA MB 1 10 THR H 4.930 . 4.930 4.679 4.610 4.738 . 0 0 "[ . 1 . 2]" 1
100 1 7 ALA MB 2 10 THR H 5.180 . 5.180 4.152 4.051 4.255 . 0 0 "[ . 1 . 2]" 1
101 1 7 ALA MB 2 10 THR HB 3.460 . 3.460 2.177 2.089 2.252 . 0 0 "[ . 1 . 2]" 1
102 1 7 ALA MB 2 10 THR MG 3.130 . 3.130 2.075 2.033 2.114 . 0 0 "[ . 1 . 2]" 1
103 1 7 ALA MB 2 11 LEU MD2 3.190 . 3.190 1.944 1.911 1.996 . 0 0 "[ . 1 . 2]" 1
104 1 8 MET H 1 8 MET HB3 3.860 . 3.860 3.633 3.607 3.660 . 0 0 "[ . 1 . 2]" 1
105 1 8 MET H 1 8 MET ME 4.730 . 4.730 4.661 4.523 4.734 0.004 20 0 "[ . 1 . 2]" 1
106 1 8 MET H 1 8 MET HG2 3.680 . 3.680 2.351 2.308 2.425 . 0 0 "[ . 1 . 2]" 1
107 1 8 MET H 1 9 GLU H 3.630 . 3.630 2.702 2.666 2.747 . 0 0 "[ . 1 . 2]" 1
108 1 8 MET H 1 10 THR H 4.650 . 4.650 4.089 4.032 4.153 . 0 0 "[ . 1 . 2]" 1
109 1 8 MET H 1 10 THR MG 4.950 . 4.950 6.414 6.357 6.470 1.520 10 20 [*********+********-*] 1
110 1 8 MET H 2 44 PHE HZ 5.030 . 5.030 4.723 4.399 5.104 0.074 15 0 "[ . 1 . 2]" 1
111 1 8 MET HA 1 8 MET ME 3.830 . 3.830 2.896 2.604 3.134 . 0 0 "[ . 1 . 2]" 1
112 1 8 MET HA 1 11 LEU H 4.480 . 4.480 3.026 2.956 3.117 . 0 0 "[ . 1 . 2]" 1
113 1 8 MET HA 1 11 LEU HB2 4.610 . 4.610 2.618 2.487 2.791 . 0 0 "[ . 1 . 2]" 1
114 1 8 MET HA 1 11 LEU MD1 5.500 . 5.500 4.758 4.699 4.844 . 0 0 "[ . 1 . 2]" 1
115 1 8 MET HA 1 11 LEU MD2 3.780 . 3.780 2.468 2.272 2.756 . 0 0 "[ . 1 . 2]" 1
116 1 8 MET HA 2 11 LEU MD1 5.500 . 5.500 4.843 4.647 4.973 . 0 0 "[ . 1 . 2]" 1
117 1 8 MET HB2 1 8 MET ME 3.690 . 3.690 3.631 3.561 3.700 0.010 7 0 "[ . 1 . 2]" 1
118 1 8 MET HB2 1 9 GLU QB 4.670 . 4.670 4.191 4.134 4.254 . 0 0 "[ . 1 . 2]" 1
119 1 8 MET HB2 2 41 LEU QD 4.590 . 4.590 4.005 3.777 4.272 . 0 0 "[ . 1 . 2]" 1
120 1 8 MET HB3 1 8 MET ME 3.850 . 3.850 2.306 2.128 2.475 . 0 0 "[ . 1 . 2]" 1
121 1 8 MET HB3 2 44 PHE QE 5.070 . 5.070 2.871 2.609 3.090 . 0 0 "[ . 1 . 2]" 1
122 1 8 MET HB3 2 82 THR MG 4.610 . 4.610 2.677 2.321 2.964 . 0 0 "[ . 1 . 2]" 1
123 1 8 MET ME 1 11 LEU HB2 3.880 . 3.880 3.212 2.960 3.480 . 0 0 "[ . 1 . 2]" 1
124 1 8 MET ME 1 11 LEU MD2 4.120 . 4.120 3.635 3.388 4.025 . 0 0 "[ . 1 . 2]" 1
125 1 8 MET ME 1 12 ILE MD 4.810 . 4.810 4.683 4.462 4.816 0.006 2 0 "[ . 1 . 2]" 1
126 1 8 MET ME 1 71 PHE HD2 4.920 . 4.920 4.587 4.366 4.826 . 0 0 "[ . 1 . 2]" 1
127 1 8 MET ME 1 71 PHE HE2 3.420 . 3.420 2.615 2.388 2.889 . 0 0 "[ . 1 . 2]" 1
128 1 8 MET ME 1 75 VAL QG . . 3.730 2.000 1.918 2.078 . 0 0 "[ . 1 . 2]" 1
129 1 8 MET ME 2 11 LEU MD1 3.830 . 3.830 3.737 3.531 3.908 0.078 14 0 "[ . 1 . 2]" 1
130 1 8 MET ME 2 11 LEU MD2 4.580 . 4.580 3.954 3.773 4.179 . 0 0 "[ . 1 . 2]" 1
131 1 8 MET ME 2 44 PHE QE 4.240 . 4.240 3.943 3.606 4.217 . 0 0 "[ . 1 . 2]" 1
132 1 8 MET ME 2 44 PHE HZ 4.780 . 4.780 5.509 5.093 5.832 1.052 15 18 "[*********** *-+ ****]" 1
133 1 8 MET ME 2 75 VAL QG 4.100 . 4.100 3.118 2.880 3.403 . 0 0 "[ . 1 . 2]" 1
134 1 8 MET ME 2 78 VAL HB 3.640 . 3.640 3.728 3.536 3.854 0.214 17 0 "[ . 1 . 2]" 1
135 1 8 MET ME 2 78 VAL QG . . 2.860 2.121 1.963 2.249 . 0 0 "[ . 1 . 2]" 1
136 1 8 MET ME 2 79 ALA H 4.240 . 4.240 3.436 3.186 3.695 . 0 0 "[ . 1 . 2]" 1
137 1 8 MET ME 2 79 ALA HA 3.560 . 3.560 2.401 2.154 2.670 . 0 0 "[ . 1 . 2]" 1
138 1 8 MET ME 2 79 ALA MB 3.430 . 3.430 2.600 2.428 2.836 . 0 0 "[ . 1 . 2]" 1
139 1 8 MET ME 2 82 THR HB 3.890 . 3.890 3.353 3.122 3.645 . 0 0 "[ . 1 . 2]" 1
140 1 8 MET ME 2 82 THR MG 3.710 . 3.710 2.938 2.622 3.281 . 0 0 "[ . 1 . 2]" 1
141 1 8 MET HG2 2 41 LEU QD 4.350 . 4.350 3.628 3.341 3.989 . 0 0 "[ . 1 . 2]" 1
142 1 8 MET HG2 2 44 PHE QE 4.230 . 4.230 4.097 3.617 4.711 0.481 15 0 "[ . 1 . 2]" 1
143 1 8 MET HG3 2 41 LEU QD 4.410 . 4.410 3.068 2.786 3.297 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLU H 1 9 GLU QB . . 3.190 2.269 2.166 2.350 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLU H 1 9 GLU QG 4.460 . 4.460 2.832 2.682 3.047 . 0 0 "[ . 1 . 2]" 1
146 1 9 GLU H 1 10 THR H 3.580 . 3.580 2.542 2.500 2.583 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLU H 1 10 THR MG 4.600 . 4.600 5.833 5.803 5.853 1.253 15 20 [**************+***-*] 1
148 1 9 GLU H 1 11 LEU H 4.840 . 4.840 4.148 4.095 4.194 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU H 2 44 PHE HZ 4.980 . 4.980 3.710 3.440 3.862 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLU HA 1 12 ILE HB 4.570 . 4.570 2.739 2.506 2.867 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLU HA 1 12 ILE MD 3.870 . 3.870 2.357 2.235 2.469 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLU QB 1 10 THR H . . 3.540 3.603 3.495 3.656 0.116 15 0 "[ . 1 . 2]" 1
153 1 9 GLU QB 1 10 THR MG . . 4.320 6.021 5.958 6.076 1.756 15 20 [***-**********+*****] 1
154 1 9 GLU QB 1 13 ASN QD 5.500 . 5.500 4.127 3.904 4.350 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLU QG 1 10 THR H 5.030 . 5.030 2.606 2.507 2.670 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLU QG 1 10 THR HA 4.020 . 4.020 3.551 3.387 3.681 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLU QG 1 12 ILE MD 4.460 . 4.460 4.759 4.659 4.904 0.444 9 0 "[ . 1 . 2]" 1
158 1 9 GLU QG 1 13 ASN QD 5.020 . 5.020 2.721 2.326 2.888 . 0 0 "[ . 1 . 2]" 1
159 1 10 THR H 1 10 THR HB 3.770 . 3.770 2.603 2.575 2.639 . 0 0 "[ . 1 . 2]" 1
160 1 10 THR H 1 10 THR MG 3.550 . 3.550 3.775 3.755 3.796 0.246 15 0 "[ . 1 . 2]" 1
161 1 10 THR H 1 11 LEU MD2 5.150 . 5.150 4.099 4.044 4.177 . 0 0 "[ . 1 . 2]" 1
162 1 10 THR H 1 13 ASN QD 5.110 . 5.110 4.212 4.153 4.274 . 0 0 "[ . 1 . 2]" 1
163 1 10 THR H 2 7 ALA MB 5.180 . 5.180 4.148 4.093 4.244 . 0 0 "[ . 1 . 2]" 1
164 1 10 THR HA 1 10 THR MG 3.090 . 3.090 2.349 2.323 2.381 . 0 0 "[ . 1 . 2]" 1
165 1 10 THR HA 1 12 ILE H 4.550 . 4.550 4.228 4.115 4.341 . 0 0 "[ . 1 . 2]" 1
166 1 10 THR HA 1 13 ASN H 3.680 . 3.680 3.337 3.207 3.504 . 0 0 "[ . 1 . 2]" 1
167 1 10 THR HA 1 13 ASN HB2 3.750 . 3.750 2.915 2.784 3.078 . 0 0 "[ . 1 . 2]" 1
168 1 10 THR HA 1 13 ASN HB3 4.770 . 4.770 4.500 4.369 4.668 . 0 0 "[ . 1 . 2]" 1
169 1 10 THR HA 1 13 ASN QD 3.990 . 3.990 2.059 1.888 2.226 . 0 0 "[ . 1 . 2]" 1
170 1 10 THR HB 1 11 LEU H 4.140 . 4.140 2.547 2.472 2.589 . 0 0 "[ . 1 . 2]" 1
171 1 10 THR HB 1 11 LEU MD1 5.150 . 5.150 4.880 4.868 4.904 . 0 0 "[ . 1 . 2]" 1
172 1 10 THR HB 1 14 VAL QG 4.390 . 4.390 4.566 4.391 4.833 0.443 5 0 "[ . 1 . 2]" 1
173 1 10 THR HB 2 7 ALA H 5.500 . 5.500 4.944 4.858 5.026 . 0 0 "[ . 1 . 2]" 1
174 1 10 THR HB 2 7 ALA MB 3.460 . 3.460 2.179 2.120 2.247 . 0 0 "[ . 1 . 2]" 1
175 1 10 THR MG 1 11 LEU H 3.940 . 3.940 3.567 3.519 3.633 . 0 0 "[ . 1 . 2]" 1
176 1 10 THR MG 1 11 LEU MD2 3.940 . 3.940 3.330 3.150 3.373 . 0 0 "[ . 1 . 2]" 1
177 1 10 THR MG 2 3 GLU QB 3.610 . 3.610 3.295 2.295 3.572 . 0 0 "[ . 1 . 2]" 1
178 1 10 THR MG 2 3 GLU HG2 3.800 . 3.800 2.338 2.056 3.803 0.003 7 0 "[ . 1 . 2]" 1
179 1 10 THR MG 2 3 GLU QG 3.310 . 3.310 2.161 2.032 3.258 . 0 0 "[ . 1 . 2]" 1
180 1 10 THR MG 2 3 GLU HG3 3.800 . 3.800 3.258 2.339 3.767 . 0 0 "[ . 1 . 2]" 1
181 1 10 THR MG 2 7 ALA MB 3.130 . 3.130 2.081 1.981 2.121 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU H 1 11 LEU HB2 3.620 . 3.620 2.314 2.268 2.356 . 0 0 "[ . 1 . 2]" 1
183 1 11 LEU H 1 11 LEU HB3 3.680 . 3.680 3.577 3.549 3.603 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU H 1 11 LEU MD1 4.780 . 4.780 3.965 3.922 4.036 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU H 1 11 LEU MD2 3.690 . 3.690 2.346 2.301 2.386 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU H 1 11 LEU HG 4.080 . 4.080 4.024 3.949 4.063 . 0 0 "[ . 1 . 2]" 1
187 1 11 LEU H 1 12 ILE HG13 5.200 . 5.200 4.450 4.389 4.539 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU H 1 71 PHE HE1 4.980 . 4.980 4.235 4.134 4.387 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU HA 1 11 LEU MD1 3.210 . 3.210 2.216 2.167 2.321 . 0 0 "[ . 1 . 2]" 1
190 1 11 LEU HA 1 11 LEU MD2 3.570 . 3.570 2.523 2.409 2.599 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU HA 1 11 LEU HG 3.920 . 3.920 3.818 3.793 3.841 . 0 0 "[ . 1 . 2]" 1
192 1 11 LEU HA 1 14 VAL H 4.160 . 4.160 3.616 3.510 3.729 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU HA 1 14 VAL QG 3.310 . 3.310 2.928 2.089 3.319 0.009 4 0 "[ . 1 . 2]" 1
194 1 11 LEU HA 1 78 VAL QG 5.500 . 5.500 4.857 4.768 4.911 . 0 0 "[ . 1 . 2]" 1
195 1 11 LEU HB2 1 11 LEU MD2 3.570 . 3.570 2.416 2.381 2.466 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU HB3 1 11 LEU MD2 3.600 . 3.600 3.158 3.136 3.181 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU HB3 1 78 VAL QG 4.730 . 4.730 4.633 4.599 4.701 . 0 0 "[ . 1 . 2]" 1
198 1 11 LEU MD1 1 14 VAL QG 4.190 . 4.190 3.368 2.824 3.645 . 0 0 "[ . 1 . 2]" 1
199 1 11 LEU MD1 1 71 PHE HE1 4.570 . 4.570 4.093 3.991 4.198 . 0 0 "[ . 1 . 2]" 1
200 1 11 LEU MD1 1 74 TYR HD2 4.890 . 4.890 4.042 3.958 4.160 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU MD1 1 74 TYR HE2 3.850 . 3.850 2.353 2.315 2.397 . 0 0 "[ . 1 . 2]" 1
202 1 11 LEU MD1 1 75 VAL QG . . 3.620 2.359 2.241 2.483 . 0 0 "[ . 1 . 2]" 1
203 1 11 LEU MD1 2 4 LEU HG 4.200 . 4.200 2.344 2.243 2.482 . 0 0 "[ . 1 . 2]" 1
204 1 11 LEU MD1 2 8 MET HA 5.500 . 5.500 4.863 4.682 5.020 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU MD1 2 8 MET ME 3.830 . 3.830 3.746 3.584 3.927 0.097 13 0 "[ . 1 . 2]" 1
206 1 11 LEU MD2 1 12 ILE H 4.970 . 4.970 4.264 4.220 4.311 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU MD2 1 71 PHE HE1 4.530 . 4.530 4.512 4.414 4.563 0.033 16 0 "[ . 1 . 2]" 1
208 1 11 LEU MD2 1 74 TYR HE2 4.640 . 4.640 4.434 4.409 4.496 . 0 0 "[ . 1 . 2]" 1
209 1 11 LEU MD2 1 75 VAL QG 4.300 . 4.300 3.577 3.433 3.754 . 0 0 "[ . 1 . 2]" 1
210 1 11 LEU MD2 2 4 LEU HA 3.530 . 3.530 3.535 3.228 3.699 0.169 8 0 "[ . 1 . 2]" 1
211 1 11 LEU MD2 2 4 LEU HG 4.260 . 4.260 3.608 3.162 3.818 . 0 0 "[ . 1 . 2]" 1
212 1 11 LEU MD2 2 7 ALA H 4.690 . 4.690 4.470 4.395 4.528 . 0 0 "[ . 1 . 2]" 1
213 1 11 LEU MD2 2 7 ALA HA 5.000 . 5.000 4.020 3.953 4.132 . 0 0 "[ . 1 . 2]" 1
214 1 11 LEU MD2 2 7 ALA MB 3.190 . 3.190 1.942 1.905 2.002 . 0 0 "[ . 1 . 2]" 1
215 1 11 LEU MD2 2 8 MET ME 4.580 . 4.580 4.007 3.757 4.157 . 0 0 "[ . 1 . 2]" 1
216 1 11 LEU HG 1 78 VAL QG 3.790 . 3.790 3.985 3.924 4.025 0.235 5 0 "[ . 1 . 2]" 1
217 1 11 LEU HG 2 4 LEU HG 5.100 . 5.100 5.351 5.231 5.378 0.278 13 0 "[ . 1 . 2]" 1
218 1 12 ILE H 1 12 ILE HB 3.330 . 3.330 2.544 2.475 2.581 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE H 1 12 ILE MD 3.850 . 3.850 3.664 3.613 3.743 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE H 1 12 ILE HG13 4.070 . 4.070 2.279 2.212 2.372 . 0 0 "[ . 1 . 2]" 1
221 1 12 ILE H 1 12 ILE MG 4.020 . 4.020 3.851 3.832 3.865 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE H 1 13 ASN H 3.990 . 3.990 2.699 2.637 2.758 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE H 1 14 VAL QG 4.820 . 4.820 4.850 4.348 5.095 0.275 4 0 "[ . 1 . 2]" 1
224 1 12 ILE H 1 71 PHE HE1 4.390 . 4.390 2.759 2.650 2.906 . 0 0 "[ . 1 . 2]" 1
225 1 12 ILE HA 1 12 ILE MD 4.480 . 4.480 3.879 3.840 3.913 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE HA 1 14 VAL H 5.010 . 5.010 4.640 4.514 4.800 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE HA 1 15 PHE H 3.590 . 3.590 3.565 3.430 3.700 0.110 5 0 "[ . 1 . 2]" 1
228 1 12 ILE HA 1 16 HIS H 4.470 . 4.470 3.896 3.744 4.065 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE HA 1 71 PHE HD1 4.600 . 4.600 2.463 2.289 2.706 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE HA 1 71 PHE HE1 4.220 . 4.220 2.670 2.544 2.746 . 0 0 "[ . 1 . 2]" 1
231 1 12 ILE HB 1 13 ASN H 3.570 . 3.570 2.607 2.537 2.722 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE HB 1 14 VAL H 5.500 . 5.500 5.199 5.141 5.274 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE MD 1 12 ILE MG 3.360 . 3.360 2.116 2.100 2.157 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE MD 1 13 ASN H 4.340 . 4.340 4.622 4.519 4.736 0.396 19 0 "[ . 1 . 2]" 1
235 1 12 ILE MD 1 13 ASN QD 4.730 . 4.730 5.609 5.440 5.828 1.098 6 20 [*****+*************-] 1
236 1 12 ILE MD 2 82 THR MG 3.620 . 3.620 2.402 2.232 2.556 . 0 0 "[ . 1 . 2]" 1
237 1 12 ILE MD 2 83 VAL MG1 5.500 . 5.500 4.891 4.637 5.049 . 0 0 "[ . 1 . 2]" 1
238 1 12 ILE HG12 1 71 PHE HE1 4.530 . 4.530 2.979 2.891 3.097 . 0 0 "[ . 1 . 2]" 1
239 1 12 ILE HG12 2 82 THR MG 4.220 . 4.220 3.700 3.560 3.854 . 0 0 "[ . 1 . 2]" 1
240 1 12 ILE HG13 1 13 ASN H 5.050 . 5.050 4.332 4.244 4.402 . 0 0 "[ . 1 . 2]" 1
241 1 12 ILE MG 1 13 ASN H 3.910 . 3.910 3.373 3.259 3.468 . 0 0 "[ . 1 . 2]" 1
242 1 12 ILE MG 1 15 PHE H 5.180 . 5.180 4.830 4.740 4.942 . 0 0 "[ . 1 . 2]" 1
243 1 12 ILE MG 1 16 HIS H 5.110 . 5.110 3.907 3.787 4.028 . 0 0 "[ . 1 . 2]" 1
244 1 12 ILE MG 1 16 HIS HB2 4.540 . 4.540 3.194 2.868 3.548 . 0 0 "[ . 1 . 2]" 1
245 1 12 ILE MG 1 16 HIS QB 3.910 . 3.910 3.092 2.775 3.440 . 0 0 "[ . 1 . 2]" 1
246 1 12 ILE MG 1 16 HIS HB3 4.540 . 4.540 4.142 3.688 4.627 0.087 10 0 "[ . 1 . 2]" 1
247 1 12 ILE MG 1 71 PHE HE1 4.310 . 4.310 4.332 4.252 4.425 0.115 10 0 "[ . 1 . 2]" 1
248 1 12 ILE MG 2 82 THR MG 4.580 . 4.580 4.776 4.596 4.923 0.343 1 0 "[ . 1 . 2]" 1
249 1 13 ASN H 1 13 ASN HB2 3.660 . 3.660 2.547 2.482 2.587 . 0 0 "[ . 1 . 2]" 1
250 1 13 ASN H 1 13 ASN HB3 3.760 . 3.760 3.628 3.605 3.651 . 0 0 "[ . 1 . 2]" 1
251 1 13 ASN H 1 13 ASN QD . . 4.500 3.214 3.116 3.312 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASN H 1 14 VAL H 3.910 . 3.910 2.800 2.719 2.898 . 0 0 "[ . 1 . 2]" 1
253 1 13 ASN H 1 14 VAL HB 5.500 . 5.500 4.997 4.877 5.200 . 0 0 "[ . 1 . 2]" 1
254 1 13 ASN H 1 14 VAL QG 4.330 . 4.330 4.207 4.143 4.266 . 0 0 "[ . 1 . 2]" 1
255 1 13 ASN H 1 15 PHE H 4.850 . 4.850 4.300 4.220 4.388 . 0 0 "[ . 1 . 2]" 1
256 1 13 ASN HA 1 16 HIS H 4.630 . 4.630 3.681 3.581 3.869 . 0 0 "[ . 1 . 2]" 1
257 1 13 ASN HA 1 17 ALA H 4.270 . 4.270 4.523 4.230 4.755 0.485 20 0 "[ . 1 . 2]" 1
258 1 13 ASN HA 1 17 ALA MB 4.430 . 4.430 4.901 4.646 5.168 0.738 20 7 "[ -* . 1 * * * *+]" 1
259 1 13 ASN HB2 1 14 VAL H 3.700 . 3.700 2.367 2.291 2.470 . 0 0 "[ . 1 . 2]" 1
260 1 13 ASN HB2 1 14 VAL HA 4.380 . 4.380 4.196 4.136 4.282 . 0 0 "[ . 1 . 2]" 1
261 1 13 ASN HB2 1 14 VAL HB 5.070 . 5.070 4.423 3.785 4.762 . 0 0 "[ . 1 . 2]" 1
262 1 13 ASN HB2 1 14 VAL QG 4.140 . 4.140 3.305 2.933 4.035 . 0 0 "[ . 1 . 2]" 1
263 1 13 ASN HB3 1 14 VAL H 3.820 . 3.820 3.449 3.376 3.519 . 0 0 "[ . 1 . 2]" 1
264 1 13 ASN HB3 1 14 VAL QG 5.090 . 5.090 4.166 3.905 4.720 . 0 0 "[ . 1 . 2]" 1
265 1 13 ASN QD 1 14 VAL H 5.500 . 5.500 4.176 4.103 4.377 . 0 0 "[ . 1 . 2]" 1
266 1 13 ASN QD 1 14 VAL QG 5.190 . 5.190 4.454 4.102 5.170 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL H 1 14 VAL HB 3.090 . 3.090 2.469 2.400 2.525 . 0 0 "[ . 1 . 2]" 1
268 1 14 VAL H 1 14 VAL QG 2.810 . 2.810 2.181 2.127 2.246 . 0 0 "[ . 1 . 2]" 1
269 1 14 VAL H 1 15 PHE H 3.620 . 3.620 2.803 2.713 2.904 . 0 0 "[ . 1 . 2]" 1
270 1 14 VAL H 1 17 ALA H 4.780 . 4.780 4.837 4.748 4.895 0.115 3 0 "[ . 1 . 2]" 1
271 1 14 VAL HA 1 14 VAL MG1 3.310 . 3.310 2.641 2.360 3.209 . 0 0 "[ . 1 . 2]" 1
272 1 14 VAL HA 1 14 VAL QG 2.880 . 2.880 2.151 2.108 2.233 . 0 0 "[ . 1 . 2]" 1
273 1 14 VAL HA 1 14 VAL MG2 3.310 . 3.310 2.335 2.246 2.373 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL HA 1 17 ALA MB 3.260 . 3.260 2.730 2.478 2.917 . 0 0 "[ . 1 . 2]" 1
275 1 14 VAL HB 1 15 PHE H 4.160 . 4.160 3.086 2.626 4.112 . 0 0 "[ . 1 . 2]" 1
276 1 14 VAL HB 2 4 LEU HB2 4.190 . 4.190 4.056 3.722 4.188 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL HB 2 4 LEU MD1 4.050 . 4.050 3.814 3.468 4.160 0.110 7 0 "[ . 1 . 2]" 1
278 1 14 VAL QG 1 15 PHE H 3.660 . 3.660 2.915 2.294 3.216 . 0 0 "[ . 1 . 2]" 1
279 1 14 VAL QG 1 15 PHE HA 4.740 . 4.740 3.391 3.287 3.453 . 0 0 "[ . 1 . 2]" 1
280 1 14 VAL QG 1 15 PHE HB2 5.080 . 5.080 4.069 3.595 4.342 . 0 0 "[ . 1 . 2]" 1
281 1 14 VAL QG 1 17 ALA H 4.720 . 4.720 4.196 4.026 4.344 . 0 0 "[ . 1 . 2]" 1
282 1 14 VAL QG 1 17 ALA MB 3.380 . 3.380 3.271 3.064 3.417 0.037 4 0 "[ . 1 . 2]" 1
283 1 14 VAL QG 1 18 HIS H 5.440 . 5.440 4.645 4.320 4.866 . 0 0 "[ . 1 . 2]" 1
284 1 14 VAL QG 1 18 HIS HD2 4.180 . 4.180 3.463 3.017 4.550 0.370 18 0 "[ . 1 . 2]" 1
285 1 14 VAL QG 1 36 LEU QD 2.920 . 2.920 2.143 1.976 2.490 . 0 0 "[ . 1 . 2]" 1
286 1 14 VAL QG 1 40 GLU QG 3.740 . 3.740 2.189 2.056 2.267 . 0 0 "[ . 1 . 2]" 1
287 1 14 VAL QG 1 74 TYR HD1 5.440 . 5.440 5.246 5.132 5.320 . 0 0 "[ . 1 . 2]" 1
288 1 14 VAL QG 1 74 TYR HE1 4.240 . 4.240 3.433 3.249 3.640 . 0 0 "[ . 1 . 2]" 1
289 1 14 VAL QG 1 74 TYR HE2 4.480 . 4.480 4.253 3.617 4.623 0.143 16 0 "[ . 1 . 2]" 1
290 1 14 VAL QG 2 4 LEU HB2 3.240 . 3.240 2.189 2.058 2.573 . 0 0 "[ . 1 . 2]" 1
291 1 14 VAL QG 2 4 LEU HB3 4.140 . 4.140 3.467 3.353 3.761 . 0 0 "[ . 1 . 2]" 1
292 1 14 VAL QG 2 4 LEU MD1 3.200 . 3.200 2.009 1.920 2.142 . 0 0 "[ . 1 . 2]" 1
293 1 14 VAL QG 2 4 LEU HG 4.410 . 4.410 2.424 2.046 2.695 . 0 0 "[ . 1 . 2]" 1
294 1 14 VAL MG1 1 15 PHE H 4.590 . 4.590 3.033 2.308 3.398 . 0 0 "[ . 1 . 2]" 1
295 1 14 VAL MG1 1 15 PHE HA 5.500 . 5.500 3.465 3.314 3.579 . 0 0 "[ . 1 . 2]" 1
296 1 14 VAL MG1 1 17 ALA H 5.500 . 5.500 4.605 4.337 4.936 . 0 0 "[ . 1 . 2]" 1
297 1 14 VAL MG1 2 4 LEU H 5.200 . 5.200 4.054 3.707 4.528 . 0 0 "[ . 1 . 2]" 1
298 1 14 VAL MG1 2 4 LEU HB2 4.650 . 4.650 2.417 2.170 2.891 . 0 0 "[ . 1 . 2]" 1
299 1 14 VAL MG1 2 4 LEU MD1 3.830 . 3.830 2.072 1.932 2.312 . 0 0 "[ . 1 . 2]" 1
300 1 14 VAL MG2 1 15 PHE H 4.590 . 4.590 3.978 3.954 4.010 . 0 0 "[ . 1 . 2]" 1
301 1 14 VAL MG2 1 15 PHE HA 5.500 . 5.500 5.123 4.150 5.541 0.041 13 0 "[ . 1 . 2]" 1
302 1 14 VAL MG2 1 17 ALA H 5.500 . 5.500 4.970 4.309 5.277 . 0 0 "[ . 1 . 2]" 1
303 1 14 VAL MG2 2 4 LEU H 5.200 . 5.200 3.359 3.054 4.181 . 0 0 "[ . 1 . 2]" 1
304 1 14 VAL MG2 2 4 LEU HB2 4.650 . 4.650 2.539 2.275 2.885 . 0 0 "[ . 1 . 2]" 1
305 1 14 VAL MG2 2 4 LEU MD1 3.830 . 3.830 3.161 2.380 3.607 . 0 0 "[ . 1 . 2]" 1
306 1 15 PHE H 1 15 PHE HB2 3.570 . 3.570 2.562 2.501 2.607 . 0 0 "[ . 1 . 2]" 1
307 1 15 PHE H 1 15 PHE HB3 3.790 . 3.790 2.449 2.362 2.507 . 0 0 "[ . 1 . 2]" 1
308 1 15 PHE H 1 16 HIS H 3.890 . 3.890 2.684 2.631 2.760 . 0 0 "[ . 1 . 2]" 1
309 1 15 PHE H 1 17 ALA H 4.730 . 4.730 4.053 3.972 4.119 . 0 0 "[ . 1 . 2]" 1
310 1 15 PHE H 1 36 LEU QD 5.170 . 5.170 3.874 3.774 4.034 . 0 0 "[ . 1 . 2]" 1
311 1 15 PHE H 1 74 TYR HD2 5.500 . 5.500 5.492 5.445 5.519 0.019 17 0 "[ . 1 . 2]" 1
312 1 15 PHE HA 1 36 LEU QD 3.990 . 3.990 2.183 1.985 2.482 . 0 0 "[ . 1 . 2]" 1
313 1 15 PHE HA 1 74 TYR HD1 5.130 . 5.130 4.888 4.880 4.905 . 0 0 "[ . 1 . 2]" 1
314 1 15 PHE HA 1 74 TYR HD2 5.500 . 5.500 5.336 5.134 5.483 . 0 0 "[ . 1 . 2]" 1
315 1 15 PHE HB2 1 74 TYR HD2 4.650 . 4.650 3.257 3.146 3.351 . 0 0 "[ . 1 . 2]" 1
316 1 15 PHE HB3 1 16 HIS H 4.590 . 4.590 2.453 2.351 2.522 . 0 0 "[ . 1 . 2]" 1
317 1 15 PHE HB3 1 74 TYR HE2 4.790 . 4.790 4.025 3.913 4.160 . 0 0 "[ . 1 . 2]" 1
318 1 15 PHE HD2 1 16 HIS H 4.630 . 4.630 3.322 3.170 3.455 . 0 0 "[ . 1 . 2]" 1
319 1 15 PHE HD2 1 17 ALA H 5.500 . 5.500 5.501 5.476 5.508 0.008 2 0 "[ . 1 . 2]" 1
320 1 15 PHE HE1 1 71 PHE H 5.460 . 5.460 5.116 4.776 5.359 . 0 0 "[ . 1 . 2]" 1
321 1 15 PHE HE1 1 71 PHE HA 4.860 . 4.860 4.182 3.781 4.451 . 0 0 "[ . 1 . 2]" 1
322 1 15 PHE HE2 1 71 PHE H 5.500 . 5.500 3.813 3.503 4.185 . 0 0 "[ . 1 . 2]" 1
323 1 15 PHE HZ 1 27 LYS HA 4.420 . 4.420 2.524 2.341 2.752 . 0 0 "[ . 1 . 2]" 1
324 1 15 PHE HZ 1 28 LEU H 4.260 . 4.260 2.714 2.464 3.003 . 0 0 "[ . 1 . 2]" 1
325 1 15 PHE HZ 1 28 LEU QD 5.120 . 5.120 4.156 3.960 4.365 . 0 0 "[ . 1 . 2]" 1
326 1 15 PHE HZ 1 69 VAL QG 4.080 . 4.080 3.399 2.969 4.002 . 0 0 "[ . 1 . 2]" 1
327 1 15 PHE HZ 1 70 ASP H 5.170 . 5.170 4.569 4.337 4.927 . 0 0 "[ . 1 . 2]" 1
328 1 15 PHE HZ 1 70 ASP HA 4.350 . 4.350 2.399 2.151 2.638 . 0 0 "[ . 1 . 2]" 1
329 1 15 PHE HZ 1 70 ASP QB 4.650 . 4.650 4.218 3.939 4.450 . 0 0 "[ . 1 . 2]" 1
330 1 15 PHE HZ 1 71 PHE H 5.500 . 5.500 3.972 3.536 4.300 . 0 0 "[ . 1 . 2]" 1
331 1 15 PHE HZ 1 71 PHE HA 5.350 . 5.350 4.477 4.211 4.782 . 0 0 "[ . 1 . 2]" 1
332 1 16 HIS H 1 16 HIS HB2 3.860 . 3.860 2.347 2.206 2.508 . 0 0 "[ . 1 . 2]" 1
333 1 16 HIS H 1 16 HIS QB 3.300 . 3.300 2.202 2.137 2.341 . 0 0 "[ . 1 . 2]" 1
334 1 16 HIS H 1 16 HIS HB3 3.860 . 3.860 2.886 2.383 3.594 . 0 0 "[ . 1 . 2]" 1
335 1 16 HIS H 1 17 ALA H 3.560 . 3.560 2.714 2.660 2.772 . 0 0 "[ . 1 . 2]" 1
336 1 16 HIS H 1 17 ALA MB 4.890 . 4.890 4.391 4.329 4.453 . 0 0 "[ . 1 . 2]" 1
337 1 16 HIS H 1 18 HIS H 5.070 . 5.070 4.630 4.401 5.069 . 0 0 "[ . 1 . 2]" 1
338 1 16 HIS HA 1 16 HIS HD2 4.320 . 4.320 3.516 2.095 4.320 0.000 10 0 "[ . 1 . 2]" 1
339 1 16 HIS QB 1 17 ALA H 3.620 . 3.620 3.053 2.795 3.258 . 0 0 "[ . 1 . 2]" 1
340 1 16 HIS QB 1 17 ALA MB 4.810 . 4.810 4.194 4.003 4.413 . 0 0 "[ . 1 . 2]" 1
341 1 16 HIS HB2 1 17 ALA H 4.270 . 4.270 3.864 3.339 4.253 . 0 0 "[ . 1 . 2]" 1
342 1 16 HIS HB3 1 17 ALA H 4.270 . 4.270 3.353 2.851 4.105 . 0 0 "[ . 1 . 2]" 1
343 1 17 ALA H 1 17 ALA MB 2.760 . 2.760 2.244 2.227 2.258 . 0 0 "[ . 1 . 2]" 1
344 1 17 ALA H 1 18 HIS H 3.370 . 3.370 2.727 2.528 2.992 . 0 0 "[ . 1 . 2]" 1
345 1 17 ALA H 1 36 LEU QD 5.010 . 5.010 4.382 4.074 4.643 . 0 0 "[ . 1 . 2]" 1
346 1 17 ALA MB 1 18 HIS H 3.460 . 3.460 2.571 2.351 2.915 . 0 0 "[ . 1 . 2]" 1
347 1 17 ALA MB 1 18 HIS HA 4.920 . 4.920 3.990 3.904 4.157 . 0 0 "[ . 1 . 2]" 1
348 1 17 ALA MB 1 18 HIS HD2 3.520 . 3.520 2.335 2.060 2.883 . 0 0 "[ . 1 . 2]" 1
349 1 17 ALA MB 1 36 LEU QD 4.920 . 4.920 3.847 3.506 4.118 . 0 0 "[ . 1 . 2]" 1
350 1 18 HIS H 1 18 HIS QB 3.640 . 3.640 2.438 2.340 3.142 . 0 0 "[ . 1 . 2]" 1
351 1 18 HIS H 1 18 HIS HD2 4.400 . 4.400 2.610 2.427 3.062 . 0 0 "[ . 1 . 2]" 1
352 1 18 HIS H 1 36 LEU QD 3.700 . 3.700 3.288 2.952 3.529 . 0 0 "[ . 1 . 2]" 1
353 1 18 HIS H 1 36 LEU HG 5.500 . 5.500 4.973 4.293 5.390 . 0 0 "[ . 1 . 2]" 1
354 1 18 HIS HA 1 18 HIS HD2 4.980 . 4.980 3.924 3.665 4.481 . 0 0 "[ . 1 . 2]" 1
355 1 18 HIS HA 1 36 LEU QD 4.480 . 4.480 4.637 4.532 4.742 0.262 18 0 "[ . 1 . 2]" 1
356 1 18 HIS QB 1 28 LEU QD 4.090 . 4.090 2.206 1.944 4.107 0.017 18 0 "[ . 1 . 2]" 1
357 1 18 HIS QB 1 36 LEU QD 3.880 . 3.880 2.200 2.005 4.028 0.148 18 0 "[ . 1 . 2]" 1
358 1 18 HIS HD2 1 36 LEU MD1 4.940 . 4.940 2.762 2.527 3.207 . 0 0 "[ . 1 . 2]" 1
359 1 18 HIS HD2 1 36 LEU QD 3.780 . 3.780 2.729 2.508 3.167 . 0 0 "[ . 1 . 2]" 1
360 1 18 HIS HD2 1 36 LEU MD2 4.940 . 4.940 4.342 4.140 4.921 . 0 0 "[ . 1 . 2]" 1
361 1 18 HIS HD2 1 36 LEU HG 4.960 . 4.960 2.973 2.568 3.705 . 0 0 "[ . 1 . 2]" 1
362 1 19 SER HA 1 28 LEU HA 4.860 . 4.860 3.049 2.682 3.526 . 0 0 "[ . 1 . 2]" 1
363 1 19 SER HA 1 28 LEU QD 3.560 . 3.560 2.143 1.819 2.949 . 0 0 "[ . 1 . 2]" 1
364 1 19 SER QB 1 28 LEU QD 4.180 . 4.180 3.365 2.857 4.025 . 0 0 "[ . 1 . 2]" 1
365 1 20 GLY H 1 21 LYS H 3.850 . 3.850 2.434 2.069 2.646 . 0 0 "[ . 1 . 2]" 1
366 1 20 GLY H 1 21 LYS QB 4.710 . 4.710 4.305 3.959 4.712 0.002 18 0 "[ . 1 . 2]" 1
367 1 20 GLY H 1 22 GLU H 4.770 . 4.770 3.420 2.862 3.906 . 0 0 "[ . 1 . 2]" 1
368 1 20 GLY H 1 28 LEU HA 5.070 . 5.070 3.162 2.723 3.371 . 0 0 "[ . 1 . 2]" 1
369 1 20 GLY H 1 28 LEU HB3 5.500 . 5.500 5.402 4.814 5.888 0.388 7 0 "[ . 1 . 2]" 1
370 1 20 GLY H 1 28 LEU QD 5.400 . 5.400 3.407 2.646 3.996 . 0 0 "[ . 1 . 2]" 1
371 1 21 LYS H 1 21 LYS QG 4.700 . 4.700 2.796 2.053 4.073 . 0 0 "[ . 1 . 2]" 1
372 1 21 LYS H 1 22 GLU H 5.040 . 5.040 2.542 2.295 2.733 . 0 0 "[ . 1 . 2]" 1
373 1 21 LYS HA 1 21 LYS QD 4.130 . 4.130 2.666 2.247 3.240 . 0 0 "[ . 1 . 2]" 1
374 1 21 LYS HA 1 21 LYS QE 4.400 . 4.400 4.116 2.305 4.417 0.017 12 0 "[ . 1 . 2]" 1
375 1 21 LYS HA 1 21 LYS QG 3.290 . 3.290 2.665 2.128 3.154 . 0 0 "[ . 1 . 2]" 1
376 1 21 LYS QB 1 21 LYS QE 4.010 . 4.010 3.168 2.144 3.671 . 0 0 "[ . 1 . 2]" 1
377 1 21 LYS QB 1 22 GLU H 4.640 . 4.640 2.694 2.391 2.967 . 0 0 "[ . 1 . 2]" 1
378 1 21 LYS QB 1 32 GLU QB 3.980 . 3.980 3.297 2.916 4.250 0.270 3 0 "[ . 1 . 2]" 1
379 1 21 LYS QD 1 21 LYS QG 2.400 . 2.400 2.075 1.968 2.116 . 0 0 "[ . 1 . 2]" 1
380 1 21 LYS QD 1 32 GLU QB 4.240 . 4.240 3.594 2.382 4.502 0.262 10 0 "[ . 1 . 2]" 1
381 1 21 LYS QD 1 32 GLU HG2 5.000 . 5.000 4.853 3.710 5.938 0.938 10 6 "[ . *+- **. * 2]" 1
382 1 21 LYS QD 1 32 GLU HG3 4.220 . 4.220 3.555 2.318 4.897 0.677 3 1 "[ + . 1 . 2]" 1
383 1 21 LYS QE 1 21 LYS HG2 3.640 . 3.640 2.820 2.201 3.543 . 0 0 "[ . 1 . 2]" 1
384 1 21 LYS QE 1 21 LYS QG 3.070 . 3.070 2.256 1.968 2.578 . 0 0 "[ . 1 . 2]" 1
385 1 21 LYS QE 1 21 LYS HG3 3.640 . 3.640 2.496 2.066 3.526 . 0 0 "[ . 1 . 2]" 1
386 1 21 LYS QE 1 32 GLU HG2 5.500 . 5.500 4.744 4.305 4.839 . 0 0 "[ . 1 . 2]" 1
387 1 21 LYS HG2 1 32 GLU QB 4.560 . 4.560 3.680 3.152 4.085 . 0 0 "[ . 1 . 2]" 1
388 1 21 LYS HG3 1 32 GLU QB 4.560 . 4.560 3.133 2.135 5.233 0.673 4 1 "[ +. 1 . 2]" 1
389 1 22 GLU H 1 22 GLU QG 4.170 . 4.170 3.579 2.224 4.167 . 0 0 "[ . 1 . 2]" 1
390 1 22 GLU H 1 23 GLY H 4.410 . 4.410 2.586 2.317 3.165 . 0 0 "[ . 1 . 2]" 1
391 1 22 GLU HA 1 22 GLU QG 3.140 . 3.140 2.640 2.152 3.244 0.104 2 0 "[ . 1 . 2]" 1
392 1 22 GLU HA 1 23 GLY H 3.490 . 3.490 3.239 2.638 3.498 0.008 17 0 "[ . 1 . 2]" 1
393 1 22 GLU QB 1 23 GLY H 4.300 . 4.300 3.358 2.734 3.928 . 0 0 "[ . 1 . 2]" 1
394 1 22 GLU QG 1 23 GLY H 4.270 . 4.270 3.675 2.601 4.113 . 0 0 "[ . 1 . 2]" 1
395 1 22 GLU QG 1 23 GLY HA3 4.240 . 4.240 4.012 3.990 4.082 . 0 0 "[ . 1 . 2]" 1
396 1 22 GLU QG 1 24 ASP H 4.760 . 4.760 3.201 1.886 4.613 . 0 0 "[ . 1 . 2]" 1
397 1 23 GLY HA2 1 24 ASP H 3.560 . 3.560 3.549 3.507 3.583 0.023 5 0 "[ . 1 . 2]" 1
398 1 24 ASP H 1 24 ASP QB 3.230 . 3.230 2.385 2.275 2.585 . 0 0 "[ . 1 . 2]" 1
399 1 24 ASP H 1 25 LYS H 4.800 . 4.800 4.492 4.337 4.599 . 0 0 "[ . 1 . 2]" 1
400 1 24 ASP HA 1 27 LYS QB 4.700 . 4.700 4.811 4.576 5.020 0.320 3 0 "[ . 1 . 2]" 1
401 1 24 ASP QB 1 27 LYS HG3 5.030 . 5.030 2.684 2.321 3.289 . 0 0 "[ . 1 . 2]" 1
402 1 24 ASP HB2 1 27 LYS QB 4.360 . 4.360 3.859 3.096 4.225 . 0 0 "[ . 1 . 2]" 1
403 1 24 ASP HB3 1 27 LYS QB 4.360 . 4.360 2.291 2.004 2.606 . 0 0 "[ . 1 . 2]" 1
404 1 25 LYS H 1 25 LYS QG 4.080 . 4.080 3.335 1.671 4.118 0.038 10 0 "[ . 1 . 2]" 1
405 1 25 LYS H 1 27 LYS H 5.190 . 5.190 4.063 3.569 4.377 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS H 1 27 LYS HG2 5.310 . 5.310 5.062 5.052 5.104 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS QB 1 25 LYS QD 3.280 . 3.280 2.413 2.102 2.953 . 0 0 "[ . 1 . 2]" 1
408 1 25 LYS QD 1 26 TYR H 5.340 . 5.340 4.564 2.090 5.369 0.029 4 0 "[ . 1 . 2]" 1
409 1 25 LYS QE 1 25 LYS QG 3.270 . 3.270 2.271 2.095 2.742 . 0 0 "[ . 1 . 2]" 1
410 1 25 LYS QG 1 26 TYR H 4.670 . 4.670 4.300 2.330 4.741 0.071 13 0 "[ . 1 . 2]" 1
411 1 26 TYR H 1 26 TYR HB2 3.790 . 3.790 2.467 2.196 2.606 . 0 0 "[ . 1 . 2]" 1
412 1 26 TYR H 1 26 TYR QB 3.250 . 3.250 2.430 2.173 2.561 . 0 0 "[ . 1 . 2]" 1
413 1 26 TYR H 1 26 TYR HB3 3.790 . 3.790 3.663 3.468 3.771 . 0 0 "[ . 1 . 2]" 1
414 1 26 TYR H 1 26 TYR HD1 3.730 . 3.730 3.415 2.820 3.738 0.008 17 0 "[ . 1 . 2]" 1
415 1 26 TYR H 1 26 TYR HE1 5.500 . 5.500 5.331 5.133 5.399 . 0 0 "[ . 1 . 2]" 1
416 1 26 TYR H 1 27 LYS H 3.290 . 3.290 2.383 2.025 2.577 . 0 0 "[ . 1 . 2]" 1
417 1 26 TYR H 1 27 LYS HG2 3.980 . 3.980 3.316 3.065 3.623 . 0 0 "[ . 1 . 2]" 1
418 1 26 TYR H 1 27 LYS HG3 5.500 . 5.500 4.883 4.629 5.148 . 0 0 "[ . 1 . 2]" 1
419 1 26 TYR HA 1 26 TYR HD1 3.760 . 3.760 2.304 2.041 2.967 . 0 0 "[ . 1 . 2]" 1
420 1 26 TYR HA 1 26 TYR HE1 4.680 . 4.680 4.594 4.504 4.685 0.005 12 0 "[ . 1 . 2]" 1
421 1 26 TYR HD1 1 27 LYS H 5.040 . 5.040 4.766 4.534 5.037 . 0 0 "[ . 1 . 2]" 1
422 1 26 TYR HD2 2 89 PHE H 5.500 . 5.500 5.396 4.699 5.532 0.032 9 0 "[ . 1 . 2]" 1
423 1 26 TYR HE2 2 89 PHE HA 4.510 . 4.510 3.661 2.375 4.194 . 0 0 "[ . 1 . 2]" 1
424 1 26 TYR HE2 2 89 PHE QB 3.820 . 3.820 2.359 1.945 3.520 . 0 0 "[ . 1 . 2]" 1
425 1 26 TYR HE2 2 89 PHE HD1 5.390 . 5.390 3.883 2.123 5.473 0.083 5 0 "[ . 1 . 2]" 1
426 1 26 TYR HE2 2 89 PHE HD2 5.500 . 5.500 4.905 3.681 5.468 . 0 0 "[ . 1 . 2]" 1
427 1 27 LYS H 1 27 LYS QD 4.250 . 4.250 3.919 3.502 4.237 . 0 0 "[ . 1 . 2]" 1
428 1 27 LYS H 1 27 LYS HG3 4.260 . 4.260 4.152 3.870 4.262 0.002 4 0 "[ . 1 . 2]" 1
429 1 27 LYS H 1 28 LEU H 4.860 . 4.860 4.471 4.438 4.500 . 0 0 "[ . 1 . 2]" 1
430 1 27 LYS HA 1 27 LYS HD2 4.140 . 4.140 2.280 2.126 2.876 . 0 0 "[ . 1 . 2]" 1
431 1 27 LYS HA 1 27 LYS QD 3.610 . 3.610 2.199 2.107 2.308 . 0 0 "[ . 1 . 2]" 1
432 1 27 LYS HA 1 27 LYS HD3 4.140 . 4.140 3.621 2.166 3.893 . 0 0 "[ . 1 . 2]" 1
433 1 27 LYS HA 1 27 LYS HE2 4.830 . 4.830 3.944 3.160 4.707 . 0 0 "[ . 1 . 2]" 1
434 1 27 LYS HA 1 27 LYS QE 4.220 . 4.220 3.613 2.695 4.213 . 0 0 "[ . 1 . 2]" 1
435 1 27 LYS HA 1 27 LYS HE3 4.830 . 4.830 4.373 2.739 4.832 0.002 19 0 "[ . 1 . 2]" 1
436 1 27 LYS HA 1 27 LYS HG2 4.130 . 4.130 3.207 3.061 3.349 . 0 0 "[ . 1 . 2]" 1
437 1 27 LYS HA 1 69 VAL H 4.810 . 4.810 4.604 4.379 4.853 0.043 15 0 "[ . 1 . 2]" 1
438 1 27 LYS QD 1 28 LEU H 4.220 . 4.220 3.879 3.487 3.976 . 0 0 "[ . 1 . 2]" 1
439 1 27 LYS QD 1 70 ASP HA 4.440 . 4.440 2.777 2.520 3.177 . 0 0 "[ . 1 . 2]" 1
440 1 27 LYS QD 1 70 ASP QB 3.750 . 3.750 2.673 2.403 2.921 . 0 0 "[ . 1 . 2]" 1
441 1 27 LYS QE 1 70 ASP QB 3.450 . 3.450 2.683 2.164 3.460 0.010 7 0 "[ . 1 . 2]" 1
442 1 27 LYS HE2 1 27 LYS HG3 4.080 . 4.080 3.295 2.366 3.675 . 0 0 "[ . 1 . 2]" 1
443 1 27 LYS HE3 1 27 LYS HG3 4.080 . 4.080 3.061 2.245 3.753 . 0 0 "[ . 1 . 2]" 1
444 1 27 LYS HG3 1 28 LEU H 5.230 . 5.230 5.066 4.911 5.223 . 0 0 "[ . 1 . 2]" 1
445 1 28 LEU H 1 28 LEU HB2 3.630 . 3.630 3.154 2.571 3.353 . 0 0 "[ . 1 . 2]" 1
446 1 28 LEU H 1 28 LEU HB3 3.390 . 3.390 2.855 2.700 3.156 . 0 0 "[ . 1 . 2]" 1
447 1 28 LEU H 1 28 LEU QD 4.170 . 4.170 4.015 3.879 4.084 . 0 0 "[ . 1 . 2]" 1
448 1 28 LEU H 1 68 GLU QG 4.830 . 4.830 5.067 3.631 5.853 1.023 16 8 "[ *.** 1*** -+ 2]" 1
449 1 28 LEU H 1 69 VAL H 3.600 . 3.600 2.808 2.663 2.985 . 0 0 "[ . 1 . 2]" 1
450 1 28 LEU H 1 69 VAL HA 5.420 . 5.420 4.891 4.747 5.063 . 0 0 "[ . 1 . 2]" 1
451 1 28 LEU H 1 69 VAL QG 3.980 . 3.980 3.072 2.847 3.387 . 0 0 "[ . 1 . 2]" 1
452 1 28 LEU H 1 70 ASP QB 5.340 . 5.340 5.026 5.001 5.057 . 0 0 "[ . 1 . 2]" 1
453 1 28 LEU HA 1 28 LEU MD1 4.120 . 4.120 2.696 2.150 3.912 . 0 0 "[ . 1 . 2]" 1
454 1 28 LEU HA 1 28 LEU QD 3.460 . 3.460 2.181 2.040 2.317 . 0 0 "[ . 1 . 2]" 1
455 1 28 LEU HA 1 28 LEU MD2 4.120 . 4.120 3.310 2.050 3.870 . 0 0 "[ . 1 . 2]" 1
456 1 28 LEU HA 1 29 SER H 3.180 . 3.180 2.238 2.188 2.313 . 0 0 "[ . 1 . 2]" 1
457 1 28 LEU HB2 1 29 SER H 4.440 . 4.440 4.322 4.210 4.543 0.103 7 0 "[ . 1 . 2]" 1
458 1 28 LEU HB3 1 29 SER H 4.690 . 4.690 4.083 3.622 4.240 . 0 0 "[ . 1 . 2]" 1
459 1 28 LEU HB3 1 69 VAL H 5.130 . 5.130 4.026 3.872 4.165 . 0 0 "[ . 1 . 2]" 1
460 1 28 LEU HB3 1 69 VAL QG 3.680 . 3.680 2.558 2.358 2.944 . 0 0 "[ . 1 . 2]" 1
461 1 28 LEU QD 1 29 SER H 3.490 . 3.490 2.120 2.003 2.394 . 0 0 "[ . 1 . 2]" 1
462 1 28 LEU QD 1 32 GLU H 3.740 . 3.740 3.959 3.691 4.151 0.411 5 0 "[ . 1 . 2]" 1
463 1 28 LEU QD 1 32 GLU HA 4.410 . 4.410 3.995 3.841 4.116 . 0 0 "[ . 1 . 2]" 1
464 1 28 LEU QD 1 32 GLU QB 3.230 . 3.230 1.963 1.877 2.033 . 0 0 "[ . 1 . 2]" 1
465 1 28 LEU QD 1 32 GLU HG3 4.850 . 4.850 3.185 2.849 3.907 . 0 0 "[ . 1 . 2]" 1
466 1 28 LEU QD 1 33 LEU H 3.670 . 3.670 3.351 2.796 3.649 . 0 0 "[ . 1 . 2]" 1
467 1 28 LEU QD 1 33 LEU HA 4.220 . 4.220 2.329 2.073 2.641 . 0 0 "[ . 1 . 2]" 1
468 1 28 LEU QD 1 33 LEU QD 3.550 . 3.550 2.032 1.983 2.124 . 0 0 "[ . 1 . 2]" 1
469 1 28 LEU QD 1 33 LEU HG 4.090 . 4.090 4.021 3.813 4.288 0.198 4 0 "[ . 1 . 2]" 1
470 1 28 LEU QD 1 69 VAL H 5.060 . 5.060 4.848 4.377 5.043 . 0 0 "[ . 1 . 2]" 1
471 1 28 LEU QD 1 69 VAL QG 3.660 . 3.660 3.355 3.132 3.635 . 0 0 "[ . 1 . 2]" 1
472 1 28 LEU QD 1 74 TYR HD1 5.240 . 5.240 4.364 3.975 4.681 . 0 0 "[ . 1 . 2]" 1
473 1 28 LEU MD1 1 29 SER H 4.190 . 4.190 2.714 2.006 4.488 0.298 10 0 "[ . 1 . 2]" 1
474 1 28 LEU MD1 1 32 GLU HA 5.150 . 5.150 4.444 4.014 5.263 0.113 20 0 "[ . 1 . 2]" 1
475 1 28 LEU MD1 1 32 GLU QB 3.860 . 3.860 2.386 1.927 3.576 . 0 0 "[ . 1 . 2]" 1
476 1 28 LEU MD2 1 29 SER H 4.190 . 4.190 3.841 2.021 4.610 0.420 8 0 "[ . 1 . 2]" 1
477 1 28 LEU MD2 1 32 GLU HA 5.150 . 5.150 4.822 4.042 5.283 0.133 16 0 "[ . 1 . 2]" 1
478 1 28 LEU MD2 1 32 GLU QB 3.860 . 3.860 2.983 1.883 3.515 . 0 0 "[ . 1 . 2]" 1
479 1 28 LEU HG 1 29 SER H 4.990 . 4.990 3.694 3.200 4.704 . 0 0 "[ . 1 . 2]" 1
480 1 29 SER H 1 29 SER QB . . 3.480 2.733 2.584 2.901 . 0 0 "[ . 1 . 2]" 1
481 1 29 SER H 1 32 GLU H 4.970 . 4.970 4.527 4.299 4.706 . 0 0 "[ . 1 . 2]" 1
482 1 29 SER H 1 68 GLU HA 5.010 . 5.010 4.509 4.409 4.602 . 0 0 "[ . 1 . 2]" 1
483 1 29 SER H 1 68 GLU QG . . 3.880 6.104 3.808 6.571 2.691 13 19 "[************+***** -]" 1
484 1 29 SER HA 1 68 GLU HA 3.880 . 3.880 1.935 1.794 2.038 . 0 0 "[ . 1 . 2]" 1
485 1 29 SER HA 1 68 GLU QB 4.210 . 4.210 2.419 2.196 2.515 . 0 0 "[ . 1 . 2]" 1
486 1 29 SER HA 1 68 GLU QG 4.300 . 4.300 4.234 2.341 4.425 0.125 17 0 "[ . 1 . 2]" 1
487 1 29 SER QB 1 30 LYS H . . 3.800 2.862 2.777 2.943 . 0 0 "[ . 1 . 2]" 1
488 1 29 SER QB 1 30 LYS HA 5.270 . 5.270 4.546 4.393 4.664 . 0 0 "[ . 1 . 2]" 1
489 1 29 SER QB 1 31 LYS H 3.940 . 3.940 3.254 2.903 3.534 . 0 0 "[ . 1 . 2]" 1
490 1 29 SER QB 1 31 LYS HB3 . . 4.630 4.784 4.532 5.043 0.413 2 0 "[ . 1 . 2]" 1
491 1 29 SER QB 1 31 LYS QD 4.580 . 4.580 1.968 1.871 2.030 . 0 0 "[ . 1 . 2]" 1
492 1 29 SER QB 1 31 LYS QG 3.450 . 3.450 3.590 3.381 3.663 0.213 11 0 "[ . 1 . 2]" 1
493 1 29 SER QB 1 32 GLU H . . 3.520 2.540 2.315 2.794 . 0 0 "[ . 1 . 2]" 1
494 1 29 SER QB 1 32 GLU QB 5.500 . 5.500 2.712 2.433 2.813 . 0 0 "[ . 1 . 2]" 1
495 1 29 SER QB 1 68 GLU HA . . 4.300 3.689 3.574 3.795 . 0 0 "[ . 1 . 2]" 1
496 1 29 SER QB 1 68 GLU QG . . 5.340 5.233 2.770 5.627 0.287 2 0 "[ . 1 . 2]" 1
497 1 30 LYS H 1 30 LYS QB 3.610 . 3.610 2.266 2.145 2.345 . 0 0 "[ . 1 . 2]" 1
498 1 30 LYS H 1 30 LYS QD 3.970 . 3.970 4.127 3.712 4.546 0.576 6 1 "[ .+ 1 . 2]" 1
499 1 30 LYS H 1 32 GLU H 4.740 . 4.740 4.138 4.056 4.197 . 0 0 "[ . 1 . 2]" 1
500 1 30 LYS H 1 67 GLY H 4.810 . 4.810 3.855 3.580 4.322 . 0 0 "[ . 1 . 2]" 1
501 1 30 LYS H 1 68 GLU HA 3.960 . 3.960 2.201 2.013 2.454 . 0 0 "[ . 1 . 2]" 1
502 1 30 LYS H 1 69 VAL H 4.710 . 4.710 4.215 3.944 4.448 . 0 0 "[ . 1 . 2]" 1
503 1 30 LYS H 1 69 VAL QG 3.920 . 3.920 3.658 3.454 3.740 . 0 0 "[ . 1 . 2]" 1
504 1 30 LYS HA 1 33 LEU HB3 4.180 . 4.180 2.967 2.607 3.402 . 0 0 "[ . 1 . 2]" 1
505 1 30 LYS HA 1 61 LEU QD 3.850 . 3.850 3.687 3.534 3.914 0.064 17 0 "[ . 1 . 2]" 1
506 1 30 LYS QB 1 31 LYS H 3.390 . 3.390 2.697 2.527 2.821 . 0 0 "[ . 1 . 2]" 1
507 1 30 LYS QB 1 61 LEU HA 4.060 . 4.060 3.804 3.465 4.161 0.101 20 0 "[ . 1 . 2]" 1
508 1 30 LYS QB 1 61 LEU QD . . 3.380 2.577 2.319 2.903 . 0 0 "[ . 1 . 2]" 1
509 1 30 LYS QB 1 64 ASN HB2 5.210 . 5.210 4.281 3.983 4.710 . 0 0 "[ . 1 . 2]" 1
510 1 30 LYS QB 1 65 GLY H 4.330 . 4.330 4.277 4.052 4.540 0.210 16 0 "[ . 1 . 2]" 1
511 1 30 LYS QB 1 65 GLY QA 4.090 . 4.090 2.187 1.915 2.708 . 0 0 "[ . 1 . 2]" 1
512 1 30 LYS QB 1 66 ASP H 5.480 . 5.480 3.904 3.573 4.038 . 0 0 "[ . 1 . 2]" 1
513 1 30 LYS QD 1 65 GLY H 5.130 . 5.130 4.763 4.487 5.052 . 0 0 "[ . 1 . 2]" 1
514 1 30 LYS QD 1 65 GLY QA 4.600 . 4.600 3.607 3.174 4.148 . 0 0 "[ . 1 . 2]" 1
515 1 30 LYS QD 1 66 ASP H 5.340 . 5.340 4.660 4.091 4.858 . 0 0 "[ . 1 . 2]" 1
516 1 30 LYS QD 1 67 GLY H 4.650 . 4.650 3.549 2.789 4.406 . 0 0 "[ . 1 . 2]" 1
517 1 30 LYS HD2 1 67 GLY H 5.500 . 5.500 3.657 2.825 4.718 . 0 0 "[ . 1 . 2]" 1
518 1 30 LYS HD3 1 67 GLY H 5.500 . 5.500 4.855 4.306 5.283 . 0 0 "[ . 1 . 2]" 1
519 1 31 LYS H 1 31 LYS HB2 3.780 . 3.780 3.665 3.648 3.679 . 0 0 "[ . 1 . 2]" 1
520 1 31 LYS H 1 31 LYS HB3 3.600 . 3.600 2.522 2.483 2.570 . 0 0 "[ . 1 . 2]" 1
521 1 31 LYS H 1 31 LYS QG 3.410 . 3.410 3.375 3.309 3.432 0.022 5 0 "[ . 1 . 2]" 1
522 1 31 LYS H 1 32 GLU H 3.450 . 3.450 2.681 2.559 2.844 . 0 0 "[ . 1 . 2]" 1
523 1 31 LYS H 1 61 LEU QD 4.400 . 4.400 3.706 3.548 3.835 . 0 0 "[ . 1 . 2]" 1
524 1 31 LYS H 1 65 GLY H 5.070 . 5.070 5.289 5.167 5.358 0.288 16 0 "[ . 1 . 2]" 1
525 1 31 LYS H 1 65 GLY QA 3.280 . 3.280 2.584 2.450 2.769 . 0 0 "[ . 1 . 2]" 1
526 1 31 LYS H 1 66 ASP H 5.130 . 5.130 4.700 4.508 4.832 . 0 0 "[ . 1 . 2]" 1
527 1 31 LYS H 1 66 ASP HA 5.500 . 5.500 4.317 3.857 5.151 . 0 0 "[ . 1 . 2]" 1
528 1 31 LYS HA 1 31 LYS QG 3.400 . 3.400 3.548 3.504 3.589 0.189 16 0 "[ . 1 . 2]" 1
529 1 31 LYS HB2 1 32 GLU H 3.780 . 3.780 4.081 4.000 4.206 0.426 3 0 "[ . 1 . 2]" 1
530 1 31 LYS HB2 1 32 GLU QB 5.500 . 5.500 5.773 5.691 5.848 0.348 15 0 "[ . 1 . 2]" 1
531 1 31 LYS HB2 1 65 GLY QA 3.780 . 3.780 3.567 3.408 3.781 0.001 19 0 "[ . 1 . 2]" 1
532 1 31 LYS HB3 1 65 GLY QA 3.020 . 3.020 2.271 2.127 2.414 . 0 0 "[ . 1 . 2]" 1
533 1 31 LYS HB3 1 66 ASP H 5.500 . 5.500 4.704 4.455 4.956 . 0 0 "[ . 1 . 2]" 1
534 1 31 LYS QD 1 32 GLU HG2 5.190 . 5.190 2.295 2.140 3.618 . 0 0 "[ . 1 . 2]" 1
535 1 31 LYS QD 1 65 GLY H 5.500 . 5.500 5.507 5.400 5.551 0.051 5 0 "[ . 1 . 2]" 1
536 1 31 LYS QD 1 65 GLY QA 4.120 . 4.120 3.285 3.037 3.553 . 0 0 "[ . 1 . 2]" 1
537 1 31 LYS QD 1 66 ASP H 4.690 . 4.690 4.373 4.271 4.582 . 0 0 "[ . 1 . 2]" 1
538 1 31 LYS QD 1 66 ASP HA 4.460 . 4.460 2.924 2.348 3.881 . 0 0 "[ . 1 . 2]" 1
539 1 31 LYS QE 1 31 LYS QG 2.590 . 2.590 2.232 2.095 2.392 . 0 0 "[ . 1 . 2]" 1
540 1 31 LYS QE 1 32 GLU HG2 3.570 . 3.570 2.771 2.349 3.277 . 0 0 "[ . 1 . 2]" 1
541 1 31 LYS QE 1 32 GLU HG3 3.940 . 3.940 3.622 2.299 4.260 0.320 18 0 "[ . 1 . 2]" 1
542 1 31 LYS QG 1 32 GLU H 3.710 . 3.710 2.772 2.709 2.946 . 0 0 "[ . 1 . 2]" 1
543 1 31 LYS QG 1 32 GLU QB . . 3.880 3.995 3.918 4.023 0.143 6 0 "[ . 1 . 2]" 1
544 1 31 LYS QG 1 32 GLU HG2 3.710 . 3.710 2.513 2.294 2.709 . 0 0 "[ . 1 . 2]" 1
545 1 31 LYS QG 1 32 GLU HG3 4.330 . 4.330 3.964 2.365 4.138 . 0 0 "[ . 1 . 2]" 1
546 1 31 LYS QG 1 65 GLY QA 4.950 . 4.950 4.123 3.898 4.287 . 0 0 "[ . 1 . 2]" 1
547 1 31 LYS QG 1 66 ASP HA 4.610 . 4.610 4.622 4.391 4.942 0.332 12 0 "[ . 1 . 2]" 1
548 1 32 GLU H 1 32 GLU QB 3.690 . 3.690 2.395 2.333 2.435 . 0 0 "[ . 1 . 2]" 1
549 1 32 GLU H 1 33 LEU H 3.350 . 3.350 2.410 2.268 2.497 . 0 0 "[ . 1 . 2]" 1
550 1 32 GLU H 1 34 LYS H 4.570 . 4.570 3.996 3.827 4.077 . 0 0 "[ . 1 . 2]" 1
551 1 32 GLU HA 1 32 GLU HG2 3.250 . 3.250 3.080 2.214 3.243 . 0 0 "[ . 1 . 2]" 1
552 1 32 GLU HA 1 34 LYS H 4.280 . 4.280 3.993 3.839 4.152 . 0 0 "[ . 1 . 2]" 1
553 1 33 LEU H 1 33 LEU HB3 3.470 . 3.470 2.615 2.495 2.707 . 0 0 "[ . 1 . 2]" 1
554 1 33 LEU H 1 33 LEU QD 4.280 . 4.280 3.661 3.586 3.772 . 0 0 "[ . 1 . 2]" 1
555 1 33 LEU H 1 34 LYS H 3.620 . 3.620 2.569 2.485 2.641 . 0 0 "[ . 1 . 2]" 1
556 1 33 LEU H 1 34 LYS HB3 5.500 . 5.500 5.087 4.815 5.327 . 0 0 "[ . 1 . 2]" 1
557 1 33 LEU H 1 35 GLU H 4.580 . 4.580 4.170 4.041 4.295 . 0 0 "[ . 1 . 2]" 1
558 1 33 LEU HA 1 33 LEU MD1 4.070 . 4.070 2.170 1.910 2.509 . 0 0 "[ . 1 . 2]" 1
559 1 33 LEU HA 1 33 LEU QD 3.430 . 3.430 2.158 1.905 2.480 . 0 0 "[ . 1 . 2]" 1
560 1 33 LEU HA 1 33 LEU MD2 4.070 . 4.070 3.852 3.814 3.895 . 0 0 "[ . 1 . 2]" 1
561 1 33 LEU HA 1 36 LEU H 3.380 . 3.380 3.159 3.019 3.284 . 0 0 "[ . 1 . 2]" 1
562 1 33 LEU HA 1 36 LEU HA 5.090 . 5.090 5.312 5.173 5.482 0.392 7 0 "[ . 1 . 2]" 1
563 1 33 LEU HA 1 36 LEU HB3 4.540 . 4.540 2.901 2.771 3.104 . 0 0 "[ . 1 . 2]" 1
564 1 33 LEU HA 1 36 LEU QD 4.960 . 4.960 3.469 3.363 3.585 . 0 0 "[ . 1 . 2]" 1
565 1 33 LEU HB3 1 34 LYS H 3.440 . 3.440 2.765 2.604 2.991 . 0 0 "[ . 1 . 2]" 1
566 1 33 LEU HB3 1 34 LYS HA 4.200 . 4.200 4.122 4.049 4.205 0.005 20 0 "[ . 1 . 2]" 1
567 1 33 LEU HB3 1 34 LYS HB2 4.730 . 4.730 4.367 4.188 4.649 . 0 0 "[ . 1 . 2]" 1
568 1 33 LEU QD 1 36 LEU H 4.510 . 4.510 4.188 3.633 4.598 0.088 8 0 "[ . 1 . 2]" 1
569 1 33 LEU QD 1 36 LEU HB2 4.640 . 4.640 3.489 2.957 4.059 . 0 0 "[ . 1 . 2]" 1
570 1 33 LEU QD 1 36 LEU HB3 3.870 . 3.870 2.700 2.088 3.159 . 0 0 "[ . 1 . 2]" 1
571 1 33 LEU QD 1 36 LEU QD 3.200 . 3.200 2.226 1.980 2.487 . 0 0 "[ . 1 . 2]" 1
572 1 33 LEU QD 1 37 LEU HA 5.440 . 5.440 4.973 4.458 5.162 . 0 0 "[ . 1 . 2]" 1
573 1 33 LEU QD 1 37 LEU QD 4.410 . 4.410 2.409 2.150 2.644 . 0 0 "[ . 1 . 2]" 1
574 1 33 LEU QD 1 74 TYR HD1 3.910 . 3.910 1.865 1.801 1.909 . 0 0 "[ . 1 . 2]" 1
575 1 33 LEU QD 1 74 TYR HE1 4.250 . 4.250 3.410 2.704 3.664 . 0 0 "[ . 1 . 2]" 1
576 1 33 LEU HG 1 34 LYS H 4.740 . 4.740 4.237 4.054 4.482 . 0 0 "[ . 1 . 2]" 1
577 1 33 LEU HG 1 36 LEU HB3 3.740 . 3.740 3.529 3.144 3.746 0.006 10 0 "[ . 1 . 2]" 1
578 1 33 LEU HG 1 36 LEU QD 4.620 . 4.620 3.628 3.291 3.915 . 0 0 "[ . 1 . 2]" 1
579 1 33 LEU HG 1 37 LEU QD 3.610 . 3.610 2.505 2.050 2.804 . 0 0 "[ . 1 . 2]" 1
580 1 33 LEU HG 1 37 LEU HG 5.290 . 5.290 2.825 2.319 4.753 . 0 0 "[ . 1 . 2]" 1
581 1 33 LEU HG 1 74 TYR HA 5.190 . 5.190 4.656 4.650 4.671 . 0 0 "[ . 1 . 2]" 1
582 1 33 LEU HG 1 74 TYR HD1 4.610 . 4.610 3.562 3.298 3.743 . 0 0 "[ . 1 . 2]" 1
583 1 34 LYS H 1 34 LYS HB2 3.230 . 3.230 2.311 2.193 2.428 . 0 0 "[ . 1 . 2]" 1
584 1 34 LYS H 1 34 LYS HB3 3.270 . 3.270 2.767 2.562 2.865 . 0 0 "[ . 1 . 2]" 1
585 1 34 LYS H 1 35 GLU H 3.570 . 3.570 2.707 2.613 2.802 . 0 0 "[ . 1 . 2]" 1
586 1 34 LYS H 1 61 LEU QD 3.930 . 3.930 2.771 2.621 2.893 . 0 0 "[ . 1 . 2]" 1
587 1 34 LYS HA 1 37 LEU QD 3.820 . 3.820 2.416 2.175 3.632 . 0 0 "[ . 1 . 2]" 1
588 1 34 LYS HA 1 61 LEU QD 4.060 . 4.060 2.751 2.532 2.896 . 0 0 "[ . 1 . 2]" 1
589 1 34 LYS HB2 1 34 LYS HD2 3.930 . 3.930 3.526 2.765 3.651 . 0 0 "[ . 1 . 2]" 1
590 1 34 LYS HB2 1 34 LYS QD 3.450 . 3.450 2.382 2.287 2.513 . 0 0 "[ . 1 . 2]" 1
591 1 34 LYS HB2 1 34 LYS HD3 3.930 . 3.930 2.442 2.331 2.884 . 0 0 "[ . 1 . 2]" 1
592 1 34 LYS HB2 1 34 LYS QE 4.310 . 4.310 3.279 2.997 4.178 . 0 0 "[ . 1 . 2]" 1
593 1 34 LYS HB3 1 35 GLU H 3.800 . 3.800 2.774 2.519 2.876 . 0 0 "[ . 1 . 2]" 1
594 1 34 LYS QD 1 61 LEU QD 3.240 . 3.240 2.266 2.123 2.773 . 0 0 "[ . 1 . 2]" 1
595 1 34 LYS QD 1 62 ASP HA 4.250 . 4.250 3.737 3.114 4.182 . 0 0 "[ . 1 . 2]" 1
596 1 34 LYS QD 1 62 ASP QB 4.190 . 4.190 3.913 3.454 4.285 0.095 7 0 "[ . 1 . 2]" 1
597 1 34 LYS HD2 1 61 LEU QD 3.760 . 3.760 3.195 2.739 3.360 . 0 0 "[ . 1 . 2]" 1
598 1 34 LYS HD3 1 61 LEU QD 3.760 . 3.760 2.381 2.152 3.582 . 0 0 "[ . 1 . 2]" 1
599 1 34 LYS QE 1 35 GLU HA 4.610 . 4.610 4.589 4.567 4.640 0.030 10 0 "[ . 1 . 2]" 1
600 1 34 LYS QE 1 38 GLN HE21 4.120 . 4.120 4.092 3.385 4.154 0.034 16 0 "[ . 1 . 2]" 1
601 1 34 LYS QE 1 38 GLN HE22 4.010 . 4.010 3.050 2.618 3.198 . 0 0 "[ . 1 . 2]" 1
602 1 34 LYS QE 1 61 LEU QD 4.880 . 4.880 3.660 3.386 4.301 . 0 0 "[ . 1 . 2]" 1
603 1 34 LYS QG 1 38 GLN HE21 4.530 . 4.530 4.101 2.794 4.420 . 0 0 "[ . 1 . 2]" 1
604 1 34 LYS QG 1 38 GLN HE22 5.050 . 5.050 3.892 3.195 4.269 . 0 0 "[ . 1 . 2]" 1
605 1 34 LYS QG 1 61 LEU QD . . 3.380 2.200 2.090 2.474 . 0 0 "[ . 1 . 2]" 1
606 1 34 LYS QG 1 62 ASP HA 5.500 . 5.500 5.672 5.106 6.142 0.642 17 3 "[ . 1 *.-+ 2]" 1
607 1 35 GLU H 1 35 GLU QB 2.840 . 2.840 2.202 2.161 2.235 . 0 0 "[ . 1 . 2]" 1
608 1 35 GLU H 1 36 LEU H 3.320 . 3.320 2.662 2.586 2.719 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLU H 1 36 LEU HB2 4.880 . 4.880 4.918 4.834 4.978 0.098 9 0 "[ . 1 . 2]" 1
610 1 35 GLU H 1 37 LEU H 4.670 . 4.670 4.112 4.038 4.199 . 0 0 "[ . 1 . 2]" 1
611 1 35 GLU H 1 37 LEU QD 5.410 . 5.410 5.012 4.811 5.286 . 0 0 "[ . 1 . 2]" 1
612 1 35 GLU HA 1 35 GLU HG3 3.140 . 3.140 2.804 2.539 2.962 . 0 0 "[ . 1 . 2]" 1
613 1 35 GLU HA 1 36 LEU HA 5.320 . 5.320 4.835 4.805 4.869 . 0 0 "[ . 1 . 2]" 1
614 1 35 GLU HA 1 38 GLN H 3.940 . 3.940 3.486 3.426 3.545 . 0 0 "[ . 1 . 2]" 1
615 1 35 GLU HA 1 38 GLN HA 5.500 . 5.500 5.511 5.501 5.527 0.027 5 0 "[ . 1 . 2]" 1
616 1 35 GLU HA 1 38 GLN HE21 4.280 . 4.280 3.226 2.278 3.685 . 0 0 "[ . 1 . 2]" 1
617 1 35 GLU HA 1 38 GLN HE22 4.640 . 4.640 4.179 3.436 4.512 . 0 0 "[ . 1 . 2]" 1
618 1 35 GLU HA 1 38 GLN HG3 4.300 . 4.300 4.275 4.143 4.303 0.003 9 0 "[ . 1 . 2]" 1
619 1 35 GLU QB 1 36 LEU H 3.110 . 3.110 2.269 2.223 2.381 . 0 0 "[ . 1 . 2]" 1
620 1 35 GLU QB 1 36 LEU HA 4.200 . 4.200 3.968 3.958 3.991 . 0 0 "[ . 1 . 2]" 1
621 1 35 GLU HG2 1 36 LEU H 4.360 . 4.360 3.741 3.622 3.909 . 0 0 "[ . 1 . 2]" 1
622 1 35 GLU HG2 1 36 LEU HA 4.590 . 4.590 3.729 3.535 3.951 . 0 0 "[ . 1 . 2]" 1
623 1 35 GLU HG2 1 39 THR HB 4.780 . 4.780 4.207 3.906 4.501 . 0 0 "[ . 1 . 2]" 1
624 1 36 LEU H 1 36 LEU HB2 3.220 . 3.220 2.393 2.313 2.436 . 0 0 "[ . 1 . 2]" 1
625 1 36 LEU H 1 36 LEU MD1 4.430 . 4.430 4.137 4.097 4.179 . 0 0 "[ . 1 . 2]" 1
626 1 36 LEU H 1 36 LEU QD 3.800 . 3.800 3.743 3.722 3.771 . 0 0 "[ . 1 . 2]" 1
627 1 36 LEU H 1 36 LEU MD2 4.430 . 4.430 4.275 4.241 4.302 . 0 0 "[ . 1 . 2]" 1
628 1 36 LEU H 1 36 LEU HG 4.980 . 4.980 4.482 4.415 4.520 . 0 0 "[ . 1 . 2]" 1
629 1 36 LEU H 1 37 LEU H 3.460 . 3.460 2.714 2.688 2.740 . 0 0 "[ . 1 . 2]" 1
630 1 36 LEU H 1 38 GLN H 5.030 . 5.030 4.036 3.978 4.065 . 0 0 "[ . 1 . 2]" 1
631 1 36 LEU HA 1 36 LEU QD 3.800 . 3.800 3.064 2.975 3.110 . 0 0 "[ . 1 . 2]" 1
632 1 36 LEU HA 1 36 LEU HG 3.780 . 3.780 2.658 2.452 2.719 . 0 0 "[ . 1 . 2]" 1
633 1 36 LEU HA 1 39 THR HB 4.360 . 4.360 2.749 2.708 2.790 . 0 0 "[ . 1 . 2]" 1
634 1 36 LEU HA 1 39 THR MG 4.370 . 4.370 4.118 4.070 4.161 . 0 0 "[ . 1 . 2]" 1
635 1 36 LEU HA 1 40 GLU H 4.680 . 4.680 3.486 3.251 3.820 . 0 0 "[ . 1 . 2]" 1
636 1 36 LEU HB3 1 37 LEU H 3.340 . 3.340 2.454 2.411 2.517 . 0 0 "[ . 1 . 2]" 1
637 1 36 LEU QD 1 37 LEU H 3.960 . 3.960 3.180 3.109 3.304 . 0 0 "[ . 1 . 2]" 1
638 1 36 LEU QD 1 37 LEU HA 3.590 . 3.590 2.895 2.798 3.098 . 0 0 "[ . 1 . 2]" 1
639 1 36 LEU QD 1 39 THR H 5.000 . 5.000 4.371 4.267 4.656 . 0 0 "[ . 1 . 2]" 1
640 1 36 LEU QD 1 40 GLU H 4.140 . 4.140 3.324 3.185 3.783 . 0 0 "[ . 1 . 2]" 1
641 1 36 LEU QD 1 40 GLU QG 3.530 . 3.530 3.161 2.856 3.388 . 0 0 "[ . 1 . 2]" 1
642 1 36 LEU QD 1 41 LEU H 4.560 . 4.560 3.627 3.314 4.174 . 0 0 "[ . 1 . 2]" 1
643 1 36 LEU QD 1 41 LEU HG 4.240 . 4.240 5.994 4.352 6.797 2.557 18 19 "[*****-********* *+**]" 1
644 1 36 LEU QD 1 74 TYR HD1 3.980 . 3.980 3.002 2.849 3.352 . 0 0 "[ . 1 . 2]" 1
645 1 36 LEU QD 1 74 TYR HE1 3.580 . 3.580 2.035 1.958 2.353 . 0 0 "[ . 1 . 2]" 1
646 1 36 LEU MD1 1 74 TYR HD1 4.570 . 4.570 3.380 3.027 4.311 . 0 0 "[ . 1 . 2]" 1
647 1 36 LEU MD1 1 74 TYR HE1 4.310 . 4.310 2.923 2.669 3.916 . 0 0 "[ . 1 . 2]" 1
648 1 36 LEU MD2 1 74 TYR HD1 4.570 . 4.570 3.410 3.068 3.953 . 0 0 "[ . 1 . 2]" 1
649 1 36 LEU MD2 1 74 TYR HE1 4.310 . 4.310 2.082 2.002 2.455 . 0 0 "[ . 1 . 2]" 1
650 1 36 LEU HG 1 40 GLU QG 4.770 . 4.770 3.379 2.596 3.929 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU HG 1 74 TYR HE1 4.540 . 4.540 4.603 4.435 5.098 0.558 15 1 "[ . 1 + 2]" 1
652 1 37 LEU H 1 37 LEU QB 3.400 . 3.400 2.232 2.081 2.284 . 0 0 "[ . 1 . 2]" 1
653 1 37 LEU H 1 37 LEU MD1 4.300 . 4.300 3.361 2.429 4.103 . 0 0 "[ . 1 . 2]" 1
654 1 37 LEU H 1 37 LEU MD2 4.300 . 4.300 3.601 2.469 3.711 . 0 0 "[ . 1 . 2]" 1
655 1 37 LEU H 1 38 GLN H 3.630 . 3.630 2.685 2.631 2.718 . 0 0 "[ . 1 . 2]" 1
656 1 37 LEU H 1 39 THR H 4.820 . 4.820 4.018 3.977 4.056 . 0 0 "[ . 1 . 2]" 1
657 1 37 LEU HA 1 37 LEU MD1 4.140 . 4.140 3.572 2.238 3.926 . 0 0 "[ . 1 . 2]" 1
658 1 37 LEU HA 1 37 LEU QD 3.590 . 3.590 2.158 2.042 2.254 . 0 0 "[ . 1 . 2]" 1
659 1 37 LEU HA 1 37 LEU MD2 4.140 . 4.140 2.427 2.150 3.874 . 0 0 "[ . 1 . 2]" 1
660 1 37 LEU HA 1 40 GLU H 4.860 . 4.860 4.053 3.772 4.250 . 0 0 "[ . 1 . 2]" 1
661 1 37 LEU HA 1 41 LEU H 3.990 . 3.990 3.050 2.861 3.463 . 0 0 "[ . 1 . 2]" 1
662 1 37 LEU HA 1 41 LEU QB 4.420 . 4.420 2.451 2.186 2.646 . 0 0 "[ . 1 . 2]" 1
663 1 37 LEU HA 1 41 LEU QD 3.820 . 3.820 3.326 2.842 3.748 . 0 0 "[ . 1 . 2]" 1
664 1 37 LEU HA 1 78 VAL QG 4.680 . 4.680 4.156 3.883 4.305 . 0 0 "[ . 1 . 2]" 1
665 1 37 LEU QB 1 38 GLN H 3.820 . 3.820 2.805 2.755 2.888 . 0 0 "[ . 1 . 2]" 1
666 1 37 LEU QD 1 41 LEU H 4.990 . 4.990 4.339 3.834 4.726 . 0 0 "[ . 1 . 2]" 1
667 1 37 LEU QD 1 41 LEU QB 4.750 . 4.750 2.766 2.286 3.188 . 0 0 "[ . 1 . 2]" 1
668 1 37 LEU QD 1 74 TYR HD1 4.600 . 4.600 3.408 2.734 3.766 . 0 0 "[ . 1 . 2]" 1
669 1 38 GLN H 1 38 GLN HB2 3.120 . 3.120 2.284 2.250 2.318 . 0 0 "[ . 1 . 2]" 1
670 1 38 GLN H 1 38 GLN HB3 3.570 . 3.570 3.565 3.547 3.582 0.012 13 0 "[ . 1 . 2]" 1
671 1 38 GLN H 1 38 GLN HE21 4.480 . 4.480 4.172 3.408 4.420 . 0 0 "[ . 1 . 2]" 1
672 1 38 GLN H 1 38 GLN HG3 3.420 . 3.420 2.819 2.760 2.891 . 0 0 "[ . 1 . 2]" 1
673 1 38 GLN H 1 39 THR H 3.510 . 3.510 2.302 2.259 2.367 . 0 0 "[ . 1 . 2]" 1
674 1 38 GLN H 1 39 THR HB 4.710 . 4.710 4.521 4.497 4.549 . 0 0 "[ . 1 . 2]" 1
675 1 38 GLN H 1 39 THR MG 5.500 . 5.500 5.543 5.522 5.574 0.074 10 0 "[ . 1 . 2]" 1
676 1 38 GLN H 1 40 GLU H 4.870 . 4.870 4.324 4.207 4.454 . 0 0 "[ . 1 . 2]" 1
677 1 38 GLN H 1 42 SER H 5.500 . 5.500 5.518 5.506 5.543 0.043 16 0 "[ . 1 . 2]" 1
678 1 38 GLN HA 1 38 GLN HE21 4.780 . 4.780 4.238 4.195 4.374 . 0 0 "[ . 1 . 2]" 1
679 1 38 GLN HA 1 38 GLN HE22 5.500 . 5.500 5.517 5.508 5.545 0.045 16 0 "[ . 1 . 2]" 1
680 1 38 GLN HA 1 38 GLN HG2 3.870 . 3.870 2.269 2.239 2.309 . 0 0 "[ . 1 . 2]" 1
681 1 38 GLN HA 1 38 GLN HG3 3.930 . 3.930 2.758 2.590 2.873 . 0 0 "[ . 1 . 2]" 1
682 1 38 GLN HA 1 39 THR H 3.550 . 3.550 3.426 3.409 3.437 . 0 0 "[ . 1 . 2]" 1
683 1 38 GLN HA 1 42 SER HB2 5.270 . 5.270 4.320 4.176 4.472 . 0 0 "[ . 1 . 2]" 1
684 1 38 GLN HA 1 45 LEU QB 4.800 . 4.800 3.999 3.718 4.266 . 0 0 "[ . 1 . 2]" 1
685 1 38 GLN HA 1 45 LEU QD 3.280 . 3.280 2.271 2.090 2.573 . 0 0 "[ . 1 . 2]" 1
686 1 38 GLN HB2 1 38 GLN HE21 3.320 . 3.320 1.995 1.834 2.145 . 0 0 "[ . 1 . 2]" 1
687 1 38 GLN HB2 1 38 GLN HE22 3.950 . 3.950 3.541 3.405 3.652 . 0 0 "[ . 1 . 2]" 1
688 1 38 GLN HB2 1 39 THR H 3.560 . 3.560 3.223 3.172 3.297 . 0 0 "[ . 1 . 2]" 1
689 1 38 GLN HB3 1 38 GLN HE21 3.640 . 3.640 2.134 1.921 3.280 . 0 0 "[ . 1 . 2]" 1
690 1 38 GLN HB3 1 38 GLN HE22 4.040 . 4.040 3.574 3.460 3.994 . 0 0 "[ . 1 . 2]" 1
691 1 38 GLN HB3 1 39 THR H 3.970 . 3.970 3.907 3.852 3.972 0.002 16 0 "[ . 1 . 2]" 1
692 1 38 GLN HE21 1 45 LEU QD 5.090 . 5.090 4.858 4.714 5.108 0.018 10 0 "[ . 1 . 2]" 1
693 1 38 GLN HE22 1 45 LEU QD 5.360 . 5.360 5.341 5.177 5.494 0.134 10 0 "[ . 1 . 2]" 1
694 1 38 GLN HG2 1 45 LEU QB 5.220 . 5.220 4.635 4.567 4.728 . 0 0 "[ . 1 . 2]" 1
695 1 38 GLN HG2 1 45 LEU MD1 4.220 . 4.220 2.939 2.222 4.221 0.001 6 0 "[ . 1 . 2]" 1
696 1 38 GLN HG2 1 45 LEU QD 3.670 . 3.670 2.348 2.212 2.614 . 0 0 "[ . 1 . 2]" 1
697 1 38 GLN HG2 1 45 LEU MD2 4.220 . 4.220 3.392 2.227 4.227 0.007 2 0 "[ . 1 . 2]" 1
698 1 38 GLN HG2 1 58 MET ME 3.040 . 3.040 3.363 3.062 3.433 0.393 7 0 "[ . 1 . 2]" 1
699 1 38 GLN HG3 1 45 LEU QD 4.070 . 4.070 3.148 2.957 3.393 . 0 0 "[ . 1 . 2]" 1
700 1 38 GLN HG3 1 58 MET ME 3.600 . 3.600 2.913 2.613 3.068 . 0 0 "[ . 1 . 2]" 1
701 1 39 THR H 1 39 THR HB 3.080 . 3.080 2.498 2.481 2.520 . 0 0 "[ . 1 . 2]" 1
702 1 39 THR H 1 39 THR MG 3.780 . 3.780 3.762 3.739 3.781 0.001 16 0 "[ . 1 . 2]" 1
703 1 39 THR H 1 40 GLU H 3.300 . 3.300 2.463 2.338 2.536 . 0 0 "[ . 1 . 2]" 1
704 1 39 THR H 1 40 GLU HA 4.860 . 4.860 5.106 5.026 5.133 0.273 18 0 "[ . 1 . 2]" 1
705 1 39 THR H 1 41 LEU QB 5.220 . 5.220 4.864 4.530 5.109 . 0 0 "[ . 1 . 2]" 1
706 1 39 THR H 1 42 SER H 5.080 . 5.080 4.213 4.033 4.444 . 0 0 "[ . 1 . 2]" 1
707 1 39 THR H 1 42 SER HB2 4.830 . 4.830 4.396 4.158 4.823 . 0 0 "[ . 1 . 2]" 1
708 1 39 THR H 1 45 LEU QD 5.440 . 5.440 4.834 4.625 5.017 . 0 0 "[ . 1 . 2]" 1
709 1 39 THR HA 1 39 THR MG 3.130 . 3.130 2.340 2.327 2.361 . 0 0 "[ . 1 . 2]" 1
710 1 39 THR HB 1 40 GLU H 3.560 . 3.560 2.302 2.162 2.396 . 0 0 "[ . 1 . 2]" 1
711 1 39 THR HB 1 40 GLU HA 5.060 . 5.060 4.333 4.285 4.375 . 0 0 "[ . 1 . 2]" 1
712 1 39 THR HB 1 40 GLU HG2 5.190 . 5.190 3.279 2.576 4.041 . 0 0 "[ . 1 . 2]" 1
713 1 39 THR HB 1 40 GLU HG3 5.190 . 5.190 4.744 4.217 5.217 0.027 6 0 "[ . 1 . 2]" 1
714 1 39 THR HB 1 41 LEU H 5.330 . 5.330 4.575 4.356 4.783 . 0 0 "[ . 1 . 2]" 1
715 1 39 THR MG 1 40 GLU H 3.960 . 3.960 3.287 3.151 3.394 . 0 0 "[ . 1 . 2]" 1
716 1 39 THR MG 1 40 GLU HA 3.730 . 3.730 3.490 3.390 3.573 . 0 0 "[ . 1 . 2]" 1
717 1 39 THR MG 1 40 GLU QG 4.060 . 4.060 2.964 2.668 3.264 . 0 0 "[ . 1 . 2]" 1
718 1 40 GLU H 1 40 GLU QB 3.850 . 3.850 2.224 2.084 2.359 . 0 0 "[ . 1 . 2]" 1
719 1 40 GLU H 1 40 GLU HG2 3.950 . 3.950 2.884 2.433 3.304 . 0 0 "[ . 1 . 2]" 1
720 1 40 GLU H 1 40 GLU QG 3.380 . 3.380 2.809 2.404 3.177 . 0 0 "[ . 1 . 2]" 1
721 1 40 GLU H 1 40 GLU HG3 3.950 . 3.950 3.950 3.743 4.124 0.174 6 0 "[ . 1 . 2]" 1
722 1 40 GLU H 1 41 LEU H 3.460 . 3.460 2.365 2.222 2.487 . 0 0 "[ . 1 . 2]" 1
723 1 40 GLU H 1 42 SER H 4.530 . 4.530 3.596 3.466 3.778 . 0 0 "[ . 1 . 2]" 1
724 1 40 GLU HA 1 42 SER H 4.170 . 4.170 3.683 3.596 3.876 . 0 0 "[ . 1 . 2]" 1
725 1 40 GLU HA 2 4 LEU MD1 4.780 . 4.780 4.519 4.177 4.833 0.053 6 0 "[ . 1 . 2]" 1
726 1 40 GLU QB 1 41 LEU HG 4.310 . 4.310 5.902 3.695 6.243 1.933 5 19 "[****+*****-**** ****]" 1
727 1 40 GLU QB 2 4 LEU HB3 4.050 . 4.050 2.727 2.319 3.199 . 0 0 "[ . 1 . 2]" 1
728 1 40 GLU QG 1 41 LEU H 4.150 . 4.150 4.295 4.112 4.389 0.239 19 0 "[ . 1 . 2]" 1
729 1 40 GLU HG2 1 41 LEU H 5.010 . 5.010 4.620 4.375 4.730 . 0 0 "[ . 1 . 2]" 1
730 1 40 GLU HG3 1 41 LEU H 5.010 . 5.010 5.128 4.946 5.273 0.262 2 0 "[ . 1 . 2]" 1
731 1 41 LEU H 1 41 LEU QB . . 3.330 2.337 2.234 2.485 . 0 0 "[ . 1 . 2]" 1
732 1 41 LEU H 1 41 LEU QD 4.020 . 4.020 3.722 3.523 3.878 . 0 0 "[ . 1 . 2]" 1
733 1 41 LEU H 1 42 SER H 3.420 . 3.420 2.358 2.064 2.545 . 0 0 "[ . 1 . 2]" 1
734 1 41 LEU H 1 43 GLY H 5.110 . 5.110 5.017 4.612 5.113 0.003 6 0 "[ . 1 . 2]" 1
735 1 41 LEU HA 1 41 LEU QD . . 3.600 2.084 2.029 2.187 . 0 0 "[ . 1 . 2]" 1
736 1 41 LEU HA 1 43 GLY H 4.770 . 4.770 3.621 3.245 3.762 . 0 0 "[ . 1 . 2]" 1
737 1 41 LEU HA 1 44 PHE H 4.620 . 4.620 3.474 3.286 3.669 . 0 0 "[ . 1 . 2]" 1
738 1 41 LEU QB 1 42 SER H . . 3.970 3.532 3.494 3.592 . 0 0 "[ . 1 . 2]" 1
739 1 41 LEU QB 1 43 GLY H 5.500 . 5.500 5.057 4.625 5.198 . 0 0 "[ . 1 . 2]" 1
740 1 41 LEU QB 1 44 PHE H 4.730 . 4.730 4.610 4.038 4.819 0.089 15 0 "[ . 1 . 2]" 1
741 1 41 LEU QB 1 44 PHE QB 4.560 . 4.560 3.760 3.191 4.009 . 0 0 "[ . 1 . 2]" 1
742 1 41 LEU QB 1 44 PHE QD 4.620 . 4.620 4.910 4.508 5.117 0.497 15 0 "[ . 1 . 2]" 1
743 1 41 LEU QB 1 44 PHE QE 4.890 . 4.890 6.191 5.702 6.463 1.573 13 20 [**********-*+*******] 1
744 1 41 LEU QB 1 45 LEU H 4.710 . 4.710 4.523 4.009 4.802 0.092 20 0 "[ . 1 . 2]" 1
745 1 41 LEU QB 1 45 LEU QD 5.290 . 5.290 3.512 2.687 4.194 . 0 0 "[ . 1 . 2]" 1
746 1 41 LEU QD 1 42 SER H 4.680 . 4.680 4.457 4.434 4.491 . 0 0 "[ . 1 . 2]" 1
747 1 41 LEU QD 1 43 GLY H 5.010 . 5.010 4.603 4.272 4.749 . 0 0 "[ . 1 . 2]" 1
748 1 41 LEU QD 1 44 PHE H 4.380 . 4.380 3.536 3.101 3.887 . 0 0 "[ . 1 . 2]" 1
749 1 41 LEU QD 1 44 PHE QD . . 3.910 2.287 2.056 2.415 . 0 0 "[ . 1 . 2]" 1
750 1 41 LEU QD 1 44 PHE QE . . 3.810 3.200 2.878 3.449 . 0 0 "[ . 1 . 2]" 1
751 1 41 LEU QD 1 78 VAL HA 4.450 . 4.450 2.354 2.225 2.762 . 0 0 "[ . 1 . 2]" 1
752 1 41 LEU QD 1 78 VAL HB 3.530 . 3.530 4.031 3.969 4.205 0.675 11 8 "[ * .* * 1+- ** *2]" 1
753 1 41 LEU QD 1 78 VAL QG 2.930 . 2.930 1.902 1.803 2.055 . 0 0 "[ . 1 . 2]" 1
754 1 41 LEU QD 2 5 GLU H 4.330 . 4.330 4.085 3.645 4.310 . 0 0 "[ . 1 . 2]" 1
755 1 41 LEU QD 2 5 GLU HA 4.130 . 4.130 3.133 2.897 3.289 . 0 0 "[ . 1 . 2]" 1
756 1 41 LEU QD 2 5 GLU QB 5.000 . 5.000 3.842 3.688 4.110 . 0 0 "[ . 1 . 2]" 1
757 1 41 LEU QD 2 5 GLU QG 4.520 . 4.520 2.120 2.008 2.465 . 0 0 "[ . 1 . 2]" 1
758 1 41 LEU QD 2 8 MET HB2 4.590 . 4.590 3.968 3.672 4.190 . 0 0 "[ . 1 . 2]" 1
759 1 41 LEU QD 2 8 MET HG2 4.350 . 4.350 3.644 3.381 3.888 . 0 0 "[ . 1 . 2]" 1
760 1 41 LEU QD 2 8 MET HG3 4.410 . 4.410 3.019 2.848 3.259 . 0 0 "[ . 1 . 2]" 1
761 1 41 LEU HG 1 44 PHE QD 5.090 . 5.090 3.390 2.882 4.912 . 0 0 "[ . 1 . 2]" 1
762 1 41 LEU HG 1 44 PHE QE 4.910 . 4.910 5.224 4.241 5.666 0.756 16 5 "[ *. 1 - *+* 2]" 1
763 1 42 SER H 1 42 SER HB3 3.680 . 3.680 3.010 2.706 3.228 . 0 0 "[ . 1 . 2]" 1
764 1 42 SER H 1 43 GLY H 3.790 . 3.790 3.099 2.978 3.225 . 0 0 "[ . 1 . 2]" 1
765 1 42 SER H 1 44 PHE H 4.760 . 4.760 4.503 4.383 4.585 . 0 0 "[ . 1 . 2]" 1
766 1 42 SER H 1 45 LEU QD 4.700 . 4.700 4.206 3.623 4.713 0.013 5 0 "[ . 1 . 2]" 1
767 1 42 SER HA 1 45 LEU H 4.070 . 4.070 3.333 3.246 3.468 . 0 0 "[ . 1 . 2]" 1
768 1 42 SER HA 1 45 LEU QB . . 3.890 2.317 2.187 2.601 . 0 0 "[ . 1 . 2]" 1
769 1 42 SER HA 1 45 LEU QD 3.720 . 3.720 2.673 2.370 2.950 . 0 0 "[ . 1 . 2]" 1
770 1 42 SER HB2 1 45 LEU QD 4.650 . 4.650 4.494 4.141 4.655 0.005 17 0 "[ . 1 . 2]" 1
771 1 43 GLY H 1 44 PHE H 3.470 . 3.470 2.546 2.416 2.733 . 0 0 "[ . 1 . 2]" 1
772 1 43 GLY H 1 44 PHE QB 4.680 . 4.680 4.465 4.069 4.759 0.079 5 0 "[ . 1 . 2]" 1
773 1 43 GLY H 1 45 LEU H 4.490 . 4.490 3.813 3.698 4.034 . 0 0 "[ . 1 . 2]" 1
774 1 43 GLY H 1 46 ASP H 5.080 . 5.080 4.642 4.575 4.775 . 0 0 "[ . 1 . 2]" 1
775 1 43 GLY H 1 46 ASP HB3 5.500 . 5.500 5.414 5.313 5.482 . 0 0 "[ . 1 . 2]" 1
776 1 43 GLY HA2 1 45 LEU H 4.560 . 4.560 4.088 3.894 4.249 . 0 0 "[ . 1 . 2]" 1
777 1 43 GLY HA2 1 46 ASP H 4.720 . 4.720 3.252 3.027 3.566 . 0 0 "[ . 1 . 2]" 1
778 1 43 GLY HA2 1 46 ASP HB3 3.440 . 3.440 2.774 2.578 3.041 . 0 0 "[ . 1 . 2]" 1
779 1 43 GLY HA3 1 44 PHE H 3.440 . 3.440 2.907 2.798 3.022 . 0 0 "[ . 1 . 2]" 1
780 1 43 GLY HA3 1 44 PHE HA 4.590 . 4.590 4.426 4.397 4.447 . 0 0 "[ . 1 . 2]" 1
781 1 43 GLY HA3 1 45 LEU H 5.020 . 5.020 4.484 4.367 4.591 . 0 0 "[ . 1 . 2]" 1
782 1 43 GLY HA3 1 46 ASP H 4.980 . 4.980 4.551 4.371 4.816 . 0 0 "[ . 1 . 2]" 1
783 1 43 GLY HA3 1 46 ASP HB3 4.920 . 4.920 4.334 4.099 4.664 . 0 0 "[ . 1 . 2]" 1
784 1 43 GLY HA3 1 47 ALA H 5.500 . 5.500 5.088 4.987 5.241 . 0 0 "[ . 1 . 2]" 1
785 1 44 PHE H 1 44 PHE QB 3.510 . 3.510 2.272 2.072 2.386 . 0 0 "[ . 1 . 2]" 1
786 1 44 PHE H 1 44 PHE QD 3.780 . 3.780 2.851 2.629 3.044 . 0 0 "[ . 1 . 2]" 1
787 1 44 PHE H 1 45 LEU QB 4.890 . 4.890 4.189 3.985 4.460 . 0 0 "[ . 1 . 2]" 1
788 1 44 PHE HA 1 44 PHE QD 3.640 . 3.640 2.242 2.146 2.376 . 0 0 "[ . 1 . 2]" 1
789 1 44 PHE HA 1 44 PHE QE 4.520 . 4.520 4.390 4.323 4.465 . 0 0 "[ . 1 . 2]" 1
790 1 44 PHE HA 1 47 ALA MB 4.310 . 4.310 2.662 2.252 2.907 . 0 0 "[ . 1 . 2]" 1
791 1 44 PHE QB 1 47 ALA MB 4.980 . 4.980 4.402 3.985 4.666 . 0 0 "[ . 1 . 2]" 1
792 1 44 PHE QD 1 47 ALA MB 4.430 . 4.430 3.894 3.446 4.221 . 0 0 "[ . 1 . 2]" 1
793 1 44 PHE QD 1 82 THR HA 4.720 . 4.720 2.614 2.359 2.795 . 0 0 "[ . 1 . 2]" 1
794 1 44 PHE QE 1 78 VAL QG 5.500 . 5.500 4.345 4.080 4.702 . 0 0 "[ . 1 . 2]" 1
795 1 44 PHE QE 1 82 THR HA 4.560 . 4.560 3.713 3.500 4.097 . 0 0 "[ . 1 . 2]" 1
796 1 44 PHE QE 1 82 THR MG 4.020 . 4.020 2.303 2.202 2.399 . 0 0 "[ . 1 . 2]" 1
797 1 44 PHE QE 2 5 GLU HA 4.500 . 4.500 3.508 3.332 3.769 . 0 0 "[ . 1 . 2]" 1
798 1 44 PHE QE 2 5 GLU QG 4.750 . 4.750 3.481 3.153 3.941 . 0 0 "[ . 1 . 2]" 1
799 1 44 PHE QE 2 8 MET HB3 5.070 . 5.070 2.788 2.529 3.064 . 0 0 "[ . 1 . 2]" 1
800 1 44 PHE QE 2 8 MET ME 4.240 . 4.240 3.903 3.690 4.175 . 0 0 "[ . 1 . 2]" 1
801 1 44 PHE QE 2 8 MET HG2 4.230 . 4.230 4.159 3.886 4.711 0.481 15 0 "[ . 1 . 2]" 1
802 1 44 PHE HZ 1 82 THR MG 3.920 . 3.920 3.707 3.553 4.039 0.119 15 0 "[ . 1 . 2]" 1
803 1 44 PHE HZ 2 5 GLU HA 4.390 . 4.390 3.400 3.115 3.746 . 0 0 "[ . 1 . 2]" 1
804 1 44 PHE HZ 2 8 MET H 5.030 . 5.030 4.786 4.495 5.071 0.041 15 0 "[ . 1 . 2]" 1
805 1 44 PHE HZ 2 8 MET ME 4.780 . 4.780 5.575 5.208 5.945 1.165 15 19 [************-*+****2] 1
806 1 44 PHE HZ 2 9 GLU H 4.980 . 4.980 3.648 3.440 3.887 . 0 0 "[ . 1 . 2]" 1
807 1 45 LEU H 1 45 LEU QB . . 3.200 2.144 2.044 2.345 . 0 0 "[ . 1 . 2]" 1
808 1 45 LEU H 1 45 LEU QD 3.960 . 3.960 3.398 2.393 3.733 . 0 0 "[ . 1 . 2]" 1
809 1 45 LEU H 1 46 ASP H 3.570 . 3.570 2.551 2.409 2.626 . 0 0 "[ . 1 . 2]" 1
810 1 45 LEU H 1 46 ASP HB3 4.990 . 4.990 4.711 4.674 4.721 . 0 0 "[ . 1 . 2]" 1
811 1 45 LEU H 1 47 ALA H 4.480 . 4.480 3.866 3.770 3.972 . 0 0 "[ . 1 . 2]" 1
812 1 45 LEU HA 1 45 LEU QD 3.490 . 3.490 2.439 2.143 2.916 . 0 0 "[ . 1 . 2]" 1
813 1 45 LEU HA 1 47 ALA H 4.270 . 4.270 4.183 4.039 4.274 0.004 7 0 "[ . 1 . 2]" 1
814 1 45 LEU HA 1 48 GLN H 4.140 . 4.140 3.968 3.509 4.142 0.002 8 0 "[ . 1 . 2]" 1
815 1 45 LEU HA 1 48 GLN HA 4.640 . 4.640 4.467 4.094 4.644 0.004 6 0 "[ . 1 . 2]" 1
816 1 45 LEU HA 1 48 GLN HE21 4.920 . 4.920 3.415 3.060 3.636 . 0 0 "[ . 1 . 2]" 1
817 1 45 LEU HA 1 48 GLN HE22 4.820 . 4.820 4.651 4.333 4.823 0.003 17 0 "[ . 1 . 2]" 1
818 1 45 LEU HA 1 54 VAL MG2 4.530 . 4.530 3.119 2.897 3.257 . 0 0 "[ . 1 . 2]" 1
819 1 45 LEU QB 1 46 ASP H . . 3.620 2.599 2.309 2.762 . 0 0 "[ . 1 . 2]" 1
820 1 45 LEU QB 1 46 ASP HB3 4.880 . 4.880 4.735 4.580 4.970 0.090 9 0 "[ . 1 . 2]" 1
821 1 45 LEU QD 1 46 ASP H 4.710 . 4.710 3.971 3.539 4.126 . 0 0 "[ . 1 . 2]" 1
822 1 45 LEU QD 1 47 ALA H 5.440 . 5.440 5.203 4.885 5.377 . 0 0 "[ . 1 . 2]" 1
823 1 45 LEU QD 1 48 GLN H 5.300 . 5.300 4.865 4.489 5.362 0.062 9 0 "[ . 1 . 2]" 1
824 1 45 LEU QD 1 48 GLN HE21 4.310 . 4.310 2.813 2.130 3.841 . 0 0 "[ . 1 . 2]" 1
825 1 45 LEU QD 1 48 GLN HE22 4.460 . 4.460 2.966 2.528 3.800 . 0 0 "[ . 1 . 2]" 1
826 1 45 LEU QD 1 48 GLN HG2 5.440 . 5.440 4.687 4.193 5.503 0.063 9 0 "[ . 1 . 2]" 1
827 1 45 LEU QD 1 54 VAL MG2 3.690 . 3.690 2.411 2.046 3.264 . 0 0 "[ . 1 . 2]" 1
828 1 45 LEU QD 1 58 MET ME 2.580 . 2.580 1.990 1.882 2.085 . 0 0 "[ . 1 . 2]" 1
829 1 45 LEU MD1 1 58 MET ME 3.120 . 3.120 2.201 2.061 2.788 . 0 0 "[ . 1 . 2]" 1
830 1 45 LEU MD2 1 58 MET ME 3.120 . 3.120 2.408 2.072 3.129 0.009 15 0 "[ . 1 . 2]" 1
831 1 46 ASP H 1 46 ASP HB2 3.200 . 3.200 2.470 2.412 2.524 . 0 0 "[ . 1 . 2]" 1
832 1 46 ASP H 1 46 ASP HB3 3.300 . 3.300 2.493 2.424 2.597 . 0 0 "[ . 1 . 2]" 1
833 1 46 ASP H 1 47 ALA H 3.510 . 3.510 2.591 2.534 2.668 . 0 0 "[ . 1 . 2]" 1
834 1 46 ASP H 1 47 ALA MB 4.980 . 4.980 4.321 4.253 4.364 . 0 0 "[ . 1 . 2]" 1
835 1 46 ASP HA 1 48 GLN H 4.530 . 4.530 3.700 3.536 3.879 . 0 0 "[ . 1 . 2]" 1
836 1 46 ASP HB3 1 47 ALA H 3.340 . 3.340 2.748 2.646 2.838 . 0 0 "[ . 1 . 2]" 1
837 1 46 ASP HB3 1 47 ALA HA 4.940 . 4.940 4.380 4.300 4.473 . 0 0 "[ . 1 . 2]" 1
838 1 46 ASP HB3 1 47 ALA MB 4.230 . 4.230 3.607 3.534 3.697 . 0 0 "[ . 1 . 2]" 1
839 1 47 ALA H 1 47 ALA MB 2.910 . 2.910 2.303 2.278 2.351 . 0 0 "[ . 1 . 2]" 1
840 1 47 ALA H 1 48 GLN HA 4.610 . 4.610 4.620 4.612 4.637 0.027 16 0 "[ . 1 . 2]" 1
841 1 47 ALA H 1 48 GLN HB3 5.170 . 5.170 4.588 4.493 4.665 . 0 0 "[ . 1 . 2]" 1
842 1 47 ALA H 1 48 GLN HG2 4.720 . 4.720 4.722 4.693 4.728 0.008 16 0 "[ . 1 . 2]" 1
843 1 47 ALA HA 1 48 GLN H 3.170 . 3.170 3.005 2.751 3.141 . 0 0 "[ . 1 . 2]" 1
844 1 47 ALA MB 1 48 GLN H 3.650 . 3.650 3.621 3.559 3.670 0.020 8 0 "[ . 1 . 2]" 1
845 1 47 ALA MB 1 48 GLN HA 4.370 . 4.370 4.221 4.135 4.330 . 0 0 "[ . 1 . 2]" 1
846 1 47 ALA MB 1 49 LYS HG2 4.510 . 4.510 4.488 4.299 4.786 0.276 13 0 "[ . 1 . 2]" 1
847 1 48 GLN H 1 48 GLN HB2 3.590 . 3.590 3.595 3.591 3.599 0.009 4 0 "[ . 1 . 2]" 1
848 1 48 GLN H 1 48 GLN HB3 3.310 . 3.310 2.521 2.450 2.619 . 0 0 "[ . 1 . 2]" 1
849 1 48 GLN H 1 48 GLN HE21 4.850 . 4.850 3.439 3.342 3.533 . 0 0 "[ . 1 . 2]" 1
850 1 48 GLN H 1 48 GLN HG2 3.200 . 3.200 2.134 2.004 2.265 . 0 0 "[ . 1 . 2]" 1
851 1 48 GLN H 1 48 GLN HG3 3.800 . 3.800 3.395 3.230 3.533 . 0 0 "[ . 1 . 2]" 1
852 1 48 GLN HA 1 49 LYS HG2 4.370 . 4.370 3.852 3.595 4.411 0.041 13 0 "[ . 1 . 2]" 1
853 1 48 GLN HA 1 50 ASP H 4.310 . 4.310 4.241 4.052 4.423 0.113 13 0 "[ . 1 . 2]" 1
854 1 48 GLN HB2 1 54 VAL MG1 3.540 . 3.540 2.777 2.540 2.999 . 0 0 "[ . 1 . 2]" 1
855 1 48 GLN HB2 1 54 VAL MG2 3.970 . 3.970 3.006 2.879 3.164 . 0 0 "[ . 1 . 2]" 1
856 1 48 GLN HE21 1 54 VAL MG1 4.530 . 4.530 3.751 3.481 3.953 . 0 0 "[ . 1 . 2]" 1
857 1 48 GLN HE21 1 54 VAL MG2 4.570 . 4.570 3.341 3.078 3.658 . 0 0 "[ . 1 . 2]" 1
858 1 48 GLN HE22 1 54 VAL MG1 4.530 . 4.530 3.101 2.909 3.312 . 0 0 "[ . 1 . 2]" 1
859 1 48 GLN HE22 1 54 VAL MG2 4.580 . 4.580 3.339 3.016 3.593 . 0 0 "[ . 1 . 2]" 1
860 1 48 GLN HG2 1 49 LYS H 4.880 . 4.880 4.806 4.741 4.831 . 0 0 "[ . 1 . 2]" 1
861 1 48 GLN HG2 1 54 VAL MG2 5.070 . 5.070 4.517 4.389 4.601 . 0 0 "[ . 1 . 2]" 1
862 1 48 GLN HG3 1 49 LYS H 4.340 . 4.340 3.867 3.741 3.887 . 0 0 "[ . 1 . 2]" 1
863 1 48 GLN HG3 1 49 LYS HA 4.900 . 4.900 3.890 3.699 3.996 . 0 0 "[ . 1 . 2]" 1
864 1 48 GLN HG3 1 54 VAL MG1 3.980 . 3.980 3.742 3.639 3.788 . 0 0 "[ . 1 . 2]" 1
865 1 48 GLN HG3 1 54 VAL MG2 4.600 . 4.600 4.612 4.598 4.648 0.048 10 0 "[ . 1 . 2]" 1
866 1 49 LYS H 1 49 LYS QD 5.100 . 5.100 4.254 4.031 4.617 . 0 0 "[ . 1 . 2]" 1
867 1 49 LYS H 1 49 LYS HG3 4.990 . 4.990 4.282 3.007 4.461 . 0 0 "[ . 1 . 2]" 1
868 1 49 LYS H 1 50 ASP H 3.470 . 3.470 2.003 1.852 2.191 . 0 0 "[ . 1 . 2]" 1
869 1 49 LYS H 1 50 ASP HA 4.970 . 4.970 4.572 4.443 4.657 . 0 0 "[ . 1 . 2]" 1
870 1 49 LYS H 1 84 ALA MB 5.010 . 5.010 3.420 3.192 3.659 . 0 0 "[ . 1 . 2]" 1
871 1 49 LYS HA 1 49 LYS HD2 4.240 . 4.240 3.048 2.124 4.493 0.253 13 0 "[ . 1 . 2]" 1
872 1 49 LYS HA 1 49 LYS QD 3.570 . 3.570 2.252 2.068 3.722 0.152 13 0 "[ . 1 . 2]" 1
873 1 49 LYS HA 1 49 LYS HD3 4.240 . 4.240 2.684 2.087 3.972 . 0 0 "[ . 1 . 2]" 1
874 1 49 LYS HA 1 49 LYS QE 5.210 . 5.210 3.865 2.835 5.006 . 0 0 "[ . 1 . 2]" 1
875 1 49 LYS QB 1 50 ASP H 4.050 . 4.050 2.321 2.198 2.458 . 0 0 "[ . 1 . 2]" 1
876 1 49 LYS HG2 1 50 ASP H 4.440 . 4.440 4.290 4.064 4.698 0.258 13 0 "[ . 1 . 2]" 1
877 1 50 ASP H 1 50 ASP HB2 3.800 . 3.800 2.423 2.252 2.477 . 0 0 "[ . 1 . 2]" 1
878 1 50 ASP H 1 50 ASP HB3 3.870 . 3.870 3.480 2.659 3.640 . 0 0 "[ . 1 . 2]" 1
879 1 50 ASP H 1 51 VAL H 4.300 . 4.300 4.017 3.901 4.121 . 0 0 "[ . 1 . 2]" 1
880 1 50 ASP H 1 53 ALA MB 4.450 . 4.450 4.461 4.237 4.633 0.183 5 0 "[ . 1 . 2]" 1
881 1 50 ASP H 1 84 ALA HA 4.860 . 4.860 3.426 3.175 3.634 . 0 0 "[ . 1 . 2]" 1
882 1 50 ASP H 1 84 ALA MB 4.250 . 4.250 3.041 2.941 3.127 . 0 0 "[ . 1 . 2]" 1
883 1 50 ASP HA 1 51 VAL H 2.990 . 2.990 2.259 2.231 2.303 . 0 0 "[ . 1 . 2]" 1
884 1 50 ASP HA 1 51 VAL QG 4.280 . 4.280 3.427 3.388 3.472 . 0 0 "[ . 1 . 2]" 1
885 1 50 ASP HA 1 52 ASP H 4.290 . 4.290 3.416 3.251 3.600 . 0 0 "[ . 1 . 2]" 1
886 1 50 ASP HA 1 53 ALA MB 4.410 . 4.410 4.354 4.256 4.424 0.014 4 0 "[ . 1 . 2]" 1
887 1 50 ASP HA 1 84 ALA HA 5.500 . 5.500 4.965 4.772 5.133 . 0 0 "[ . 1 . 2]" 1
888 1 50 ASP HA 1 84 ALA MB 4.280 . 4.280 4.490 4.455 4.540 0.260 17 0 "[ . 1 . 2]" 1
889 1 50 ASP HB2 1 51 VAL H 4.930 . 4.930 4.521 4.475 4.619 . 0 0 "[ . 1 . 2]" 1
890 1 50 ASP HB2 1 53 ALA MB 3.750 . 3.750 2.584 2.215 3.433 . 0 0 "[ . 1 . 2]" 1
891 1 50 ASP HB2 1 54 VAL H 4.960 . 4.960 4.142 3.776 4.979 0.019 5 0 "[ . 1 . 2]" 1
892 1 50 ASP HB2 1 84 ALA MB 3.950 . 3.950 2.442 2.061 3.387 . 0 0 "[ . 1 . 2]" 1
893 1 50 ASP HB3 1 51 VAL H 4.440 . 4.440 4.147 4.012 4.398 . 0 0 "[ . 1 . 2]" 1
894 1 50 ASP HB3 1 53 ALA H 5.040 . 5.040 2.776 2.257 3.212 . 0 0 "[ . 1 . 2]" 1
895 1 50 ASP HB3 1 53 ALA MB 4.010 . 4.010 2.415 2.136 2.758 . 0 0 "[ . 1 . 2]" 1
896 1 50 ASP HB3 1 84 ALA HA 4.240 . 4.240 3.394 2.263 3.922 . 0 0 "[ . 1 . 2]" 1
897 1 50 ASP HB3 1 84 ALA MB 3.970 . 3.970 3.352 2.153 3.904 . 0 0 "[ . 1 . 2]" 1
898 1 51 VAL H 1 51 VAL HB 3.800 . 3.800 3.631 3.614 3.642 . 0 0 "[ . 1 . 2]" 1
899 1 51 VAL H 1 51 VAL QG 2.760 . 2.760 1.871 1.857 1.881 . 0 0 "[ . 1 . 2]" 1
900 1 51 VAL H 1 52 ASP H 3.300 . 3.300 2.690 2.597 2.825 . 0 0 "[ . 1 . 2]" 1
901 1 51 VAL H 1 52 ASP QB 5.250 . 5.250 4.575 4.347 4.786 . 0 0 "[ . 1 . 2]" 1
902 1 51 VAL H 1 53 ALA MB 5.280 . 5.280 5.193 5.100 5.299 0.019 5 0 "[ . 1 . 2]" 1
903 1 51 VAL HA 1 51 VAL QG 2.920 . 2.920 2.286 2.261 2.306 . 0 0 "[ . 1 . 2]" 1
904 1 51 VAL HA 1 54 VAL H 3.940 . 3.940 3.401 3.181 3.608 . 0 0 "[ . 1 . 2]" 1
905 1 51 VAL HA 1 54 VAL HB 3.840 . 3.840 3.593 3.445 3.778 . 0 0 "[ . 1 . 2]" 1
906 1 51 VAL HA 1 54 VAL MG1 3.110 . 3.110 2.036 1.974 2.125 . 0 0 "[ . 1 . 2]" 1
907 1 51 VAL HA 1 54 VAL MG2 4.450 . 4.450 4.426 4.359 4.466 0.016 2 0 "[ . 1 . 2]" 1
908 1 51 VAL HA 1 55 ASP H 4.270 . 4.270 3.930 3.775 4.028 . 0 0 "[ . 1 . 2]" 1
909 1 51 VAL HB 1 52 ASP H 4.230 . 4.230 3.991 3.906 4.020 . 0 0 "[ . 1 . 2]" 1
910 1 51 VAL QG 1 52 ASP H 3.250 . 3.250 2.434 2.345 2.506 . 0 0 "[ . 1 . 2]" 1
911 1 51 VAL QG 1 52 ASP HA . . 3.940 3.422 3.309 3.497 . 0 0 "[ . 1 . 2]" 1
912 1 51 VAL QG 1 52 ASP QB 3.580 . 3.580 3.492 3.109 3.843 0.263 9 0 "[ . 1 . 2]" 1
913 1 52 ASP H 1 53 ALA H 3.410 . 3.410 2.537 2.445 2.584 . 0 0 "[ . 1 . 2]" 1
914 1 52 ASP H 1 53 ALA MB 4.250 . 4.250 4.246 4.169 4.281 0.031 10 0 "[ . 1 . 2]" 1
915 1 52 ASP H 1 54 VAL H 4.520 . 4.520 4.095 3.974 4.205 . 0 0 "[ . 1 . 2]" 1
916 1 52 ASP HA 1 53 ALA MB 5.170 . 5.170 5.019 4.993 5.051 . 0 0 "[ . 1 . 2]" 1
917 1 52 ASP QB 1 53 ALA H 3.440 . 3.440 2.547 2.325 2.634 . 0 0 "[ . 1 . 2]" 1
918 1 52 ASP QB 1 53 ALA HA 4.930 . 4.930 3.960 3.794 4.154 . 0 0 "[ . 1 . 2]" 1
919 1 53 ALA H 1 53 ALA MB 2.980 . 2.980 2.237 2.216 2.255 . 0 0 "[ . 1 . 2]" 1
920 1 53 ALA H 1 54 VAL H 3.530 . 3.530 2.553 2.481 2.663 . 0 0 "[ . 1 . 2]" 1
921 1 53 ALA H 1 54 VAL HB 4.980 . 4.980 4.773 4.660 4.934 . 0 0 "[ . 1 . 2]" 1
922 1 53 ALA H 1 54 VAL MG1 4.050 . 4.050 4.053 3.934 4.070 0.020 17 0 "[ . 1 . 2]" 1
923 1 53 ALA H 1 55 ASP H 4.450 . 4.450 4.096 3.980 4.240 . 0 0 "[ . 1 . 2]" 1
924 1 53 ALA H 1 84 ALA MB 5.160 . 5.160 3.933 3.685 4.167 . 0 0 "[ . 1 . 2]" 1
925 1 53 ALA HA 1 56 LYS QD 4.390 . 4.390 3.340 2.490 3.692 . 0 0 "[ . 1 . 2]" 1
926 1 53 ALA HA 1 56 LYS QE 3.300 . 3.300 3.988 2.131 4.543 1.243 9 16 "[***-.** +** **.*****]" 1
927 1 53 ALA MB 1 54 VAL H 2.890 . 2.890 2.658 2.567 2.859 . 0 0 "[ . 1 . 2]" 1
928 1 53 ALA MB 1 56 LYS H 4.690 . 4.690 4.431 4.238 4.572 . 0 0 "[ . 1 . 2]" 1
929 1 53 ALA MB 1 81 LEU HA 4.600 . 4.600 4.730 4.522 4.923 0.323 20 0 "[ . 1 . 2]" 1
930 1 53 ALA MB 1 84 ALA H 4.710 . 4.710 4.184 3.556 4.540 . 0 0 "[ . 1 . 2]" 1
931 1 53 ALA MB 1 84 ALA HA 4.050 . 4.050 2.978 2.133 3.484 . 0 0 "[ . 1 . 2]" 1
932 1 53 ALA MB 1 84 ALA MB 3.100 . 3.100 2.259 2.114 2.429 . 0 0 "[ . 1 . 2]" 1
933 1 54 VAL H 1 54 VAL HB 3.230 . 3.230 2.417 2.333 2.536 . 0 0 "[ . 1 . 2]" 1
934 1 54 VAL H 1 54 VAL MG1 3.360 . 3.360 2.279 2.170 2.351 . 0 0 "[ . 1 . 2]" 1
935 1 54 VAL H 1 55 ASP H 3.330 . 3.330 2.583 2.480 2.639 . 0 0 "[ . 1 . 2]" 1
936 1 54 VAL H 1 55 ASP HA 5.220 . 5.220 5.223 5.142 5.241 0.021 5 0 "[ . 1 . 2]" 1
937 1 54 VAL H 1 55 ASP HB2 5.350 . 5.350 4.763 4.588 4.841 . 0 0 "[ . 1 . 2]" 1
938 1 54 VAL H 1 55 ASP HB3 5.420 . 5.420 4.936 4.539 5.044 . 0 0 "[ . 1 . 2]" 1
939 1 54 VAL H 1 56 LYS H 4.620 . 4.620 3.905 3.743 3.993 . 0 0 "[ . 1 . 2]" 1
940 1 54 VAL H 1 84 ALA MB 4.530 . 4.530 2.882 2.705 3.146 . 0 0 "[ . 1 . 2]" 1
941 1 54 VAL HA 1 54 VAL MG1 3.120 . 3.120 3.182 3.162 3.214 0.094 5 0 "[ . 1 . 2]" 1
942 1 54 VAL HA 1 54 VAL MG2 3.700 . 3.700 2.289 2.266 2.325 . 0 0 "[ . 1 . 2]" 1
943 1 54 VAL HA 1 56 LYS H 5.140 . 5.140 4.306 4.164 4.448 . 0 0 "[ . 1 . 2]" 1
944 1 54 VAL HA 1 57 VAL H 4.180 . 4.180 3.818 3.728 3.934 . 0 0 "[ . 1 . 2]" 1
945 1 54 VAL HA 1 58 MET H 4.970 . 4.970 4.722 4.544 4.850 . 0 0 "[ . 1 . 2]" 1
946 1 54 VAL HA 1 81 LEU MD1 3.750 . 3.750 3.996 3.963 4.018 0.268 16 0 "[ . 1 . 2]" 1
947 1 54 VAL HA 1 81 LEU MD2 4.360 . 4.360 4.575 4.249 4.625 0.265 10 0 "[ . 1 . 2]" 1
948 1 54 VAL HB 1 55 ASP H 4.100 . 4.100 3.819 3.691 3.865 . 0 0 "[ . 1 . 2]" 1
949 1 54 VAL HB 1 55 ASP HB2 5.500 . 5.500 5.516 5.506 5.540 0.040 16 0 "[ . 1 . 2]" 1
950 1 54 VAL HB 1 84 ALA MB 4.200 . 4.200 2.509 2.298 2.784 . 0 0 "[ . 1 . 2]" 1
951 1 54 VAL MG1 1 55 ASP HA 3.820 . 3.820 3.217 3.132 3.283 . 0 0 "[ . 1 . 2]" 1
952 1 54 VAL MG1 1 55 ASP HB2 4.000 . 4.000 2.831 2.763 2.909 . 0 0 "[ . 1 . 2]" 1
953 1 54 VAL MG1 1 55 ASP HB3 4.120 . 4.120 3.847 3.694 3.984 . 0 0 "[ . 1 . 2]" 1
954 1 54 VAL MG1 1 56 LYS H 4.200 . 4.200 4.156 4.096 4.212 0.012 16 0 "[ . 1 . 2]" 1
955 1 54 VAL MG2 1 55 ASP H 3.900 . 3.900 3.895 3.839 3.925 0.025 16 0 "[ . 1 . 2]" 1
956 1 54 VAL MG2 1 55 ASP HA 4.280 . 4.280 4.023 3.854 4.234 . 0 0 "[ . 1 . 2]" 1
957 1 54 VAL MG2 1 57 VAL H 4.790 . 4.790 4.891 4.685 5.004 0.214 7 0 "[ . 1 . 2]" 1
958 1 54 VAL MG2 1 58 MET H 4.700 . 4.700 4.631 4.243 4.724 0.024 10 0 "[ . 1 . 2]" 1
959 1 54 VAL MG2 1 58 MET ME 3.530 . 3.530 3.287 3.122 3.363 . 0 0 "[ . 1 . 2]" 1
960 1 54 VAL MG2 1 81 LEU MD1 3.230 . 3.230 2.653 2.553 2.789 . 0 0 "[ . 1 . 2]" 1
961 1 55 ASP H 1 55 ASP HB2 3.300 . 3.300 2.385 2.307 2.412 . 0 0 "[ . 1 . 2]" 1
962 1 55 ASP H 1 55 ASP HB3 3.130 . 3.130 2.572 2.332 2.699 . 0 0 "[ . 1 . 2]" 1
963 1 55 ASP H 1 56 LYS H 3.430 . 3.430 2.459 2.409 2.557 . 0 0 "[ . 1 . 2]" 1
964 1 55 ASP H 1 56 LYS QB 4.360 . 4.360 4.209 4.099 4.326 . 0 0 "[ . 1 . 2]" 1
965 1 55 ASP HA 1 57 VAL H 4.650 . 4.650 3.956 3.534 4.235 . 0 0 "[ . 1 . 2]" 1
966 1 55 ASP HA 1 58 MET H 4.130 . 4.130 3.079 2.713 3.400 . 0 0 "[ . 1 . 2]" 1
967 1 55 ASP HA 1 58 MET HB3 4.710 . 4.710 4.129 3.942 4.242 . 0 0 "[ . 1 . 2]" 1
968 1 55 ASP HA 1 58 MET QG 4.630 . 4.630 3.081 2.846 3.311 . 0 0 "[ . 1 . 2]" 1
969 1 55 ASP HA 1 59 LYS H 4.190 . 4.190 3.417 2.762 3.727 . 0 0 "[ . 1 . 2]" 1
970 1 55 ASP HA 1 59 LYS QB 4.640 . 4.640 4.281 3.816 4.617 . 0 0 "[ . 1 . 2]" 1
971 1 55 ASP HB2 1 56 LYS H 3.920 . 3.920 3.907 3.866 3.923 0.003 16 0 "[ . 1 . 2]" 1
972 1 55 ASP HB3 1 56 LYS H 3.490 . 3.490 2.873 2.675 3.032 . 0 0 "[ . 1 . 2]" 1
973 1 56 LYS H 1 56 LYS QB 2.790 . 2.790 2.165 2.040 2.270 . 0 0 "[ . 1 . 2]" 1
974 1 56 LYS H 1 57 VAL H 3.340 . 3.340 2.756 2.676 2.830 . 0 0 "[ . 1 . 2]" 1
975 1 56 LYS H 1 57 VAL HB 5.190 . 5.190 5.079 4.940 5.159 . 0 0 "[ . 1 . 2]" 1
976 1 56 LYS H 1 58 MET H 4.710 . 4.710 4.226 4.132 4.304 . 0 0 "[ . 1 . 2]" 1
977 1 56 LYS H 1 59 LYS H 5.040 . 5.040 4.845 4.657 4.996 . 0 0 "[ . 1 . 2]" 1
978 1 56 LYS HA 1 56 LYS QE 4.730 . 4.730 3.904 1.995 4.681 . 0 0 "[ . 1 . 2]" 1
979 1 57 VAL H 1 57 VAL HB 3.070 . 3.070 2.522 2.462 2.567 . 0 0 "[ . 1 . 2]" 1
980 1 57 VAL H 1 57 VAL MG2 2.970 . 2.970 2.255 2.131 2.524 . 0 0 "[ . 1 . 2]" 1
981 1 57 VAL H 1 58 MET H 3.410 . 3.410 2.442 2.280 2.564 . 0 0 "[ . 1 . 2]" 1
982 1 57 VAL H 1 58 MET QG 4.410 . 4.410 3.932 3.866 3.955 . 0 0 "[ . 1 . 2]" 1
983 1 57 VAL H 1 59 LYS H 4.430 . 4.430 4.244 4.080 4.350 . 0 0 "[ . 1 . 2]" 1
984 1 57 VAL HA 1 57 VAL MG1 3.160 . 3.160 2.364 2.288 2.424 . 0 0 "[ . 1 . 2]" 1
985 1 57 VAL HA 1 57 VAL MG2 3.170 . 3.170 2.417 2.391 2.440 . 0 0 "[ . 1 . 2]" 1
986 1 57 VAL HA 1 58 MET HA 4.860 . 4.860 4.749 4.712 4.797 . 0 0 "[ . 1 . 2]" 1
987 1 57 VAL HA 1 59 LYS H 5.370 . 5.370 4.912 4.754 5.064 . 0 0 "[ . 1 . 2]" 1
988 1 57 VAL HA 1 60 GLU H 3.990 . 3.990 3.821 3.706 3.993 0.003 4 0 "[ . 1 . 2]" 1
989 1 57 VAL HA 1 60 GLU HB3 4.180 . 4.180 2.854 2.729 2.953 . 0 0 "[ . 1 . 2]" 1
990 1 57 VAL HB 1 58 MET H 3.210 . 3.210 2.552 2.420 2.646 . 0 0 "[ . 1 . 2]" 1
991 1 57 VAL MG1 1 58 MET H 3.620 . 3.620 3.461 3.330 3.573 . 0 0 "[ . 1 . 2]" 1
992 1 57 VAL MG1 1 58 MET QG 3.810 . 3.810 3.517 3.322 3.698 . 0 0 "[ . 1 . 2]" 1
993 1 57 VAL MG1 1 60 GLU HB3 4.230 . 4.230 4.002 3.987 4.029 . 0 0 "[ . 1 . 2]" 1
994 1 57 VAL MG1 1 80 ALA MB 3.550 . 3.550 3.332 2.875 3.916 0.366 4 0 "[ . 1 . 2]" 1
995 1 57 VAL MG2 1 58 MET QG 4.800 . 4.800 4.375 4.266 4.513 . 0 0 "[ . 1 . 2]" 1
996 1 58 MET H 1 58 MET HB2 3.350 . 3.350 2.405 2.343 2.460 . 0 0 "[ . 1 . 2]" 1
997 1 58 MET H 1 58 MET QG 3.130 . 3.130 2.064 1.989 2.123 . 0 0 "[ . 1 . 2]" 1
998 1 58 MET H 1 59 LYS H 3.540 . 3.540 2.756 2.669 2.871 . 0 0 "[ . 1 . 2]" 1
999 1 58 MET H 1 60 GLU H 4.580 . 4.580 4.010 3.951 4.060 . 0 0 "[ . 1 . 2]" 1
1000 1 58 MET H 1 61 LEU H 5.060 . 5.060 4.730 4.673 4.795 . 0 0 "[ . 1 . 2]" 1
1001 1 58 MET HA 1 58 MET ME 4.500 . 4.500 3.892 3.768 4.005 . 0 0 "[ . 1 . 2]" 1
1002 1 58 MET HA 1 58 MET QG 3.780 . 3.780 2.682 2.589 2.776 . 0 0 "[ . 1 . 2]" 1
1003 1 58 MET HB2 1 59 LYS H 2.770 . 2.770 2.385 2.322 2.466 . 0 0 "[ . 1 . 2]" 1
1004 1 58 MET HB3 1 59 LYS H 3.390 . 3.390 3.415 3.306 3.526 0.136 5 0 "[ . 1 . 2]" 1
1005 1 58 MET HB3 1 59 LYS HA 4.490 . 4.490 4.251 4.130 4.377 . 0 0 "[ . 1 . 2]" 1
1006 1 58 MET ME 1 58 MET QG 2.970 . 2.970 2.257 2.237 2.280 . 0 0 "[ . 1 . 2]" 1
1007 1 58 MET QG 1 59 LYS H 4.110 . 4.110 3.902 3.888 3.920 . 0 0 "[ . 1 . 2]" 1
1008 1 58 MET QG 1 61 LEU H 5.500 . 5.500 5.541 5.519 5.590 0.090 16 0 "[ . 1 . 2]" 1
1009 1 59 LYS H 1 59 LYS QG 4.570 . 4.570 4.085 4.057 4.110 . 0 0 "[ . 1 . 2]" 1
1010 1 59 LYS H 1 60 GLU H 3.180 . 3.180 2.675 2.576 2.710 . 0 0 "[ . 1 . 2]" 1
1011 1 59 LYS H 1 61 LEU H 4.630 . 4.630 4.270 4.203 4.344 . 0 0 "[ . 1 . 2]" 1
1012 1 59 LYS H 1 62 ASP H 4.900 . 4.900 4.635 4.590 4.718 . 0 0 "[ . 1 . 2]" 1
1013 1 59 LYS HA 1 62 ASP H 3.510 . 3.510 3.203 3.124 3.341 . 0 0 "[ . 1 . 2]" 1
1014 1 59 LYS HA 1 62 ASP QB 3.410 . 3.410 2.307 2.235 2.391 . 0 0 "[ . 1 . 2]" 1
1015 1 59 LYS QB 1 60 GLU H 3.130 . 3.130 2.703 2.644 2.786 . 0 0 "[ . 1 . 2]" 1
1016 1 59 LYS QB 1 60 GLU HB2 4.640 . 4.640 4.359 4.242 4.410 . 0 0 "[ . 1 . 2]" 1
1017 1 59 LYS QD 1 60 GLU H 5.230 . 5.230 5.060 5.020 5.373 0.143 7 0 "[ . 1 . 2]" 1
1018 1 59 LYS QG 1 60 GLU HA 4.080 . 4.080 3.856 3.843 3.863 . 0 0 "[ . 1 . 2]" 1
1019 1 60 GLU H 1 60 GLU HB3 2.880 . 2.880 2.509 2.443 2.606 . 0 0 "[ . 1 . 2]" 1
1020 1 60 GLU H 1 61 LEU H 3.590 . 3.590 2.752 2.694 2.797 . 0 0 "[ . 1 . 2]" 1
1021 1 60 GLU H 1 63 GLU H 5.500 . 5.500 5.288 5.116 5.498 . 0 0 "[ . 1 . 2]" 1
1022 1 60 GLU HA 1 60 GLU HG2 3.550 . 3.550 2.915 2.470 3.773 0.223 4 0 "[ . 1 . 2]" 1
1023 1 60 GLU HA 1 64 ASN HB2 5.390 . 5.390 4.938 4.728 5.123 . 0 0 "[ . 1 . 2]" 1
1024 1 60 GLU HA 1 64 ASN QD . . 4.190 3.305 3.187 3.450 . 0 0 "[ . 1 . 2]" 1
1025 1 60 GLU HG2 1 64 ASN HB3 5.500 . 5.500 5.272 4.699 6.364 0.864 4 1 "[ +. 1 . 2]" 1
1026 1 60 GLU HG2 1 64 ASN QD . . 3.910 2.839 2.225 4.264 0.354 4 0 "[ . 1 . 2]" 1
1027 1 61 LEU H 1 61 LEU HB2 3.770 . 3.770 3.564 3.516 3.609 . 0 0 "[ . 1 . 2]" 1
1028 1 61 LEU H 1 61 LEU HB3 3.300 . 3.300 2.294 2.226 2.366 . 0 0 "[ . 1 . 2]" 1
1029 1 61 LEU H 1 61 LEU QD 3.360 . 3.360 3.189 3.120 3.239 . 0 0 "[ . 1 . 2]" 1
1030 1 61 LEU H 1 61 LEU HG 3.000 . 3.000 2.942 2.851 3.005 0.005 13 0 "[ . 1 . 2]" 1
1031 1 61 LEU H 1 62 ASP HA 5.010 . 5.010 5.018 5.010 5.033 0.023 16 0 "[ . 1 . 2]" 1
1032 1 61 LEU H 1 62 ASP QB 4.190 . 4.190 4.161 4.108 4.198 0.008 19 0 "[ . 1 . 2]" 1
1033 1 61 LEU H 1 63 GLU H 4.660 . 4.660 4.278 4.149 4.440 . 0 0 "[ . 1 . 2]" 1
1034 1 61 LEU HA 1 61 LEU QD 3.330 . 3.330 3.171 3.124 3.206 . 0 0 "[ . 1 . 2]" 1
1035 1 61 LEU HA 1 64 ASN HA 4.970 . 4.970 4.895 4.765 5.013 0.043 2 0 "[ . 1 . 2]" 1
1036 1 61 LEU HA 1 64 ASN HB2 4.510 . 4.510 2.268 2.174 2.341 . 0 0 "[ . 1 . 2]" 1
1037 1 61 LEU HB2 1 62 ASP H 4.340 . 4.340 4.333 4.292 4.348 0.008 7 0 "[ . 1 . 2]" 1
1038 1 61 LEU HB2 1 62 ASP HA 5.500 . 5.500 5.153 5.032 5.224 . 0 0 "[ . 1 . 2]" 1
1039 1 61 LEU HB2 1 63 GLU H 5.500 . 5.500 5.505 5.461 5.519 0.019 16 0 "[ . 1 . 2]" 1
1040 1 61 LEU HB3 1 62 ASP H 4.080 . 4.080 3.883 3.838 3.938 . 0 0 "[ . 1 . 2]" 1
1041 1 61 LEU QD 1 62 ASP H 4.140 . 4.140 3.435 3.319 3.495 . 0 0 "[ . 1 . 2]" 1
1042 1 61 LEU QD 1 62 ASP QB 4.310 . 4.310 3.891 3.703 4.097 . 0 0 "[ . 1 . 2]" 1
1043 1 61 LEU QD 1 63 GLU H 4.820 . 4.820 4.620 4.545 4.662 . 0 0 "[ . 1 . 2]" 1
1044 1 61 LEU QD 1 64 ASN H 4.880 . 4.880 4.427 4.211 4.517 . 0 0 "[ . 1 . 2]" 1
1045 1 61 LEU QD 1 64 ASN HB3 5.460 . 5.460 5.279 5.071 5.324 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LEU QD 1 65 GLY QA 4.610 . 4.610 2.695 2.489 2.961 . 0 0 "[ . 1 . 2]" 1
1047 1 61 LEU QD 1 66 ASP H 5.500 . 5.500 5.457 5.415 5.520 0.020 16 0 "[ . 1 . 2]" 1
1048 1 61 LEU HG 1 62 ASP H 3.800 . 3.800 2.670 2.610 2.722 . 0 0 "[ . 1 . 2]" 1
1049 1 61 LEU HG 1 65 GLY QA 5.390 . 5.390 5.011 4.822 5.136 . 0 0 "[ . 1 . 2]" 1
1050 1 62 ASP H 1 62 ASP QB 2.730 . 2.730 2.162 2.068 2.221 . 0 0 "[ . 1 . 2]" 1
1051 1 62 ASP H 1 63 GLU H 3.200 . 3.200 2.685 2.569 2.796 . 0 0 "[ . 1 . 2]" 1
1052 1 62 ASP HA 1 64 ASN H 4.770 . 4.770 4.400 4.158 4.553 . 0 0 "[ . 1 . 2]" 1
1053 1 62 ASP HA 1 65 GLY H 4.610 . 4.610 4.136 3.824 4.427 . 0 0 "[ . 1 . 2]" 1
1054 1 62 ASP QB 1 63 GLU H 3.090 . 3.090 2.898 2.770 3.100 0.010 11 0 "[ . 1 . 2]" 1
1055 1 62 ASP QB 1 63 GLU QB 4.970 . 4.970 4.366 4.213 4.557 . 0 0 "[ . 1 . 2]" 1
1056 1 62 ASP QB 1 63 GLU HG3 3.970 . 3.970 2.945 2.664 3.392 . 0 0 "[ . 1 . 2]" 1
1057 1 63 GLU H 1 63 GLU QB 2.830 . 2.830 2.495 2.454 2.542 . 0 0 "[ . 1 . 2]" 1
1058 1 63 GLU H 1 63 GLU HG2 3.520 . 3.520 3.525 3.520 3.539 0.019 16 0 "[ . 1 . 2]" 1
1059 1 63 GLU H 1 63 GLU HG3 3.770 . 3.770 2.534 2.438 2.592 . 0 0 "[ . 1 . 2]" 1
1060 1 63 GLU H 1 64 ASN H 3.160 . 3.160 2.048 2.026 2.089 . 0 0 "[ . 1 . 2]" 1
1061 1 63 GLU H 1 64 ASN HA 4.830 . 4.830 4.838 4.831 4.852 0.022 16 0 "[ . 1 . 2]" 1
1062 1 63 GLU HA 1 63 GLU HG2 3.080 . 3.080 2.440 2.373 2.522 . 0 0 "[ . 1 . 2]" 1
1063 1 63 GLU HA 1 64 ASN H 3.470 . 3.470 3.464 3.376 3.480 0.010 16 0 "[ . 1 . 2]" 1
1064 1 63 GLU QB 1 64 ASN H 3.210 . 3.210 2.905 2.766 3.183 . 0 0 "[ . 1 . 2]" 1
1065 1 63 GLU QB 1 64 ASN HB2 5.330 . 5.330 4.415 4.196 4.566 . 0 0 "[ . 1 . 2]" 1
1066 1 63 GLU QB 1 64 ASN QD 3.960 . 3.960 3.095 2.807 3.240 . 0 0 "[ . 1 . 2]" 1
1067 1 63 GLU HG2 1 64 ASN H 5.030 . 5.030 4.899 4.868 4.970 . 0 0 "[ . 1 . 2]" 1
1068 1 63 GLU HG3 1 64 ASN H 4.670 . 4.670 4.249 4.134 4.364 . 0 0 "[ . 1 . 2]" 1
1069 1 64 ASN H 1 64 ASN HB2 3.230 . 3.230 2.309 2.271 2.367 . 0 0 "[ . 1 . 2]" 1
1070 1 64 ASN H 1 64 ASN HB3 3.690 . 3.690 3.585 3.558 3.613 . 0 0 "[ . 1 . 2]" 1
1071 1 64 ASN H 1 64 ASN QD . . 4.230 2.764 2.624 2.946 . 0 0 "[ . 1 . 2]" 1
1072 1 64 ASN HA 1 64 ASN QD . . 3.950 3.583 3.457 3.643 . 0 0 "[ . 1 . 2]" 1
1073 1 64 ASN HA 1 65 GLY H 3.380 . 3.380 3.086 2.988 3.131 . 0 0 "[ . 1 . 2]" 1
1074 1 64 ASN HA 1 65 GLY QA 5.260 . 5.260 4.367 4.318 4.394 . 0 0 "[ . 1 . 2]" 1
1075 1 64 ASN HA 1 66 ASP H 3.700 . 3.700 3.410 3.075 3.661 . 0 0 "[ . 1 . 2]" 1
1076 1 64 ASN HA 1 67 GLY H 4.380 . 4.380 4.273 3.843 4.823 0.443 20 0 "[ . 1 . 2]" 1
1077 1 64 ASN HB2 1 64 ASN QD . . 3.440 2.191 2.160 2.264 . 0 0 "[ . 1 . 2]" 1
1078 1 64 ASN HB2 1 65 GLY H 4.110 . 4.110 3.927 3.828 4.056 . 0 0 "[ . 1 . 2]" 1
1079 1 64 ASN HB3 1 65 GLY H 4.470 . 4.470 4.343 4.298 4.402 . 0 0 "[ . 1 . 2]" 1
1080 1 65 GLY H 1 65 GLY QA 2.720 . 2.720 2.182 2.171 2.204 . 0 0 "[ . 1 . 2]" 1
1081 1 65 GLY H 1 66 ASP H 3.170 . 3.170 2.913 2.696 3.141 . 0 0 "[ . 1 . 2]" 1
1082 1 65 GLY H 1 67 GLY H 4.390 . 4.390 4.524 4.278 4.908 0.518 19 1 "[ . 1 . +2]" 1
1083 1 65 GLY QA 1 66 ASP H 3.050 . 3.050 2.843 2.717 2.945 . 0 0 "[ . 1 . 2]" 1
1084 1 66 ASP H 1 66 ASP QB 2.980 . 2.980 2.411 2.215 2.649 . 0 0 "[ . 1 . 2]" 1
1085 1 66 ASP H 1 67 GLY QA 4.870 . 4.870 4.031 3.730 4.186 . 0 0 "[ . 1 . 2]" 1
1086 1 66 ASP QB 1 67 GLY H 3.500 . 3.500 3.356 2.836 3.507 0.007 10 0 "[ . 1 . 2]" 1
1087 1 66 ASP QB 1 67 GLY QA 4.330 . 4.330 3.881 3.671 3.971 . 0 0 "[ . 1 . 2]" 1
1088 1 67 GLY H 1 68 GLU H 4.420 . 4.420 4.104 4.085 4.155 . 0 0 "[ . 1 . 2]" 1
1089 1 67 GLY HA2 1 68 GLU H 2.930 . 2.930 2.837 2.747 2.948 0.018 3 0 "[ . 1 . 2]" 1
1090 1 67 GLY HA2 1 68 GLU QB 4.630 . 4.630 4.047 3.755 4.587 . 0 0 "[ . 1 . 2]" 1
1091 1 67 GLY HA3 1 68 GLU H 2.930 . 2.930 2.274 2.125 2.448 . 0 0 "[ . 1 . 2]" 1
1092 1 67 GLY HA3 1 68 GLU QB 4.630 . 4.630 4.616 4.439 4.782 0.152 19 0 "[ . 1 . 2]" 1
1093 1 68 GLU H 1 68 GLU QB 2.940 . 2.940 3.168 2.859 3.270 0.330 11 0 "[ . 1 . 2]" 1
1094 1 68 GLU H 1 69 VAL H 4.560 . 4.560 4.390 4.377 4.422 . 0 0 "[ . 1 . 2]" 1
1095 1 68 GLU H 1 69 VAL HA 5.010 . 5.010 4.742 4.731 4.753 . 0 0 "[ . 1 . 2]" 1
1096 1 68 GLU H 1 69 VAL QG 4.430 . 4.430 3.996 3.836 4.158 . 0 0 "[ . 1 . 2]" 1
1097 1 68 GLU QB 1 69 VAL H 3.340 . 3.340 2.377 2.229 2.637 . 0 0 "[ . 1 . 2]" 1
1098 1 68 GLU QB 1 69 VAL HA 4.300 . 4.300 4.297 4.007 4.657 0.357 10 0 "[ . 1 . 2]" 1
1099 1 69 VAL H 1 70 ASP H 4.480 . 4.480 4.406 4.367 4.435 . 0 0 "[ . 1 . 2]" 1
1100 1 69 VAL HA 1 73 GLU HB2 4.590 . 4.590 3.361 3.171 3.646 . 0 0 "[ . 1 . 2]" 1
1101 1 69 VAL HA 1 73 GLU HB3 4.590 . 4.590 3.998 3.789 4.344 . 0 0 "[ . 1 . 2]" 1
1102 1 69 VAL HA 1 73 GLU HG3 4.330 . 4.330 3.247 2.761 3.825 . 0 0 "[ . 1 . 2]" 1
1103 1 69 VAL QG 1 70 ASP H 3.560 . 3.560 3.062 3.009 3.133 . 0 0 "[ . 1 . 2]" 1
1104 1 69 VAL QG 1 73 GLU QB 3.090 . 3.090 2.047 1.990 2.110 . 0 0 "[ . 1 . 2]" 1
1105 1 69 VAL QG 1 73 GLU HG2 4.050 . 4.050 3.627 3.584 3.687 . 0 0 "[ . 1 . 2]" 1
1106 1 69 VAL QG 1 73 GLU HG3 3.410 . 3.410 2.337 2.146 2.602 . 0 0 "[ . 1 . 2]" 1
1107 1 69 VAL QG 1 74 TYR HD1 5.440 . 5.440 4.453 4.307 4.644 . 0 0 "[ . 1 . 2]" 1
1108 1 70 ASP H 1 70 ASP HB2 3.970 . 3.970 3.803 3.757 3.834 . 0 0 "[ . 1 . 2]" 1
1109 1 70 ASP H 1 70 ASP QB 3.460 . 3.460 2.794 2.693 2.861 . 0 0 "[ . 1 . 2]" 1
1110 1 70 ASP H 1 70 ASP HB3 3.970 . 3.970 2.875 2.759 2.952 . 0 0 "[ . 1 . 2]" 1
1111 1 70 ASP H 1 71 PHE H 4.730 . 4.730 4.343 4.313 4.379 . 0 0 "[ . 1 . 2]" 1
1112 1 70 ASP H 1 73 GLU HA 5.020 . 5.020 4.983 4.842 5.035 0.015 5 0 "[ . 1 . 2]" 1
1113 1 70 ASP H 1 73 GLU QB 3.570 . 3.570 2.117 1.904 2.287 . 0 0 "[ . 1 . 2]" 1
1114 1 70 ASP QB 1 71 PHE H 3.640 . 3.640 2.270 2.242 2.296 . 0 0 "[ . 1 . 2]" 1
1115 1 71 PHE H 1 71 PHE QB 3.390 . 3.390 2.221 2.201 2.247 . 0 0 "[ . 1 . 2]" 1
1116 1 71 PHE H 1 72 GLN H 3.720 . 3.720 2.963 2.932 3.004 . 0 0 "[ . 1 . 2]" 1
1117 1 71 PHE H 1 72 GLN QB 5.090 . 5.090 4.713 4.661 4.761 . 0 0 "[ . 1 . 2]" 1
1118 1 71 PHE H 1 73 GLU H 4.930 . 4.930 4.509 4.433 4.591 . 0 0 "[ . 1 . 2]" 1
1119 1 71 PHE H 1 74 TYR HD2 5.500 . 5.500 5.267 5.177 5.378 . 0 0 "[ . 1 . 2]" 1
1120 1 71 PHE HA 1 71 PHE HD1 4.420 . 4.420 2.908 2.779 3.031 . 0 0 "[ . 1 . 2]" 1
1121 1 71 PHE HA 1 72 GLN HA 4.930 . 4.930 4.875 4.860 4.895 . 0 0 "[ . 1 . 2]" 1
1122 1 71 PHE HA 1 74 TYR HD2 4.260 . 4.260 2.468 2.374 2.574 . 0 0 "[ . 1 . 2]" 1
1123 1 71 PHE QB 1 72 GLN H 3.290 . 3.290 2.519 2.477 2.564 . 0 0 "[ . 1 . 2]" 1
1124 1 71 PHE QB 2 82 THR MG 4.690 . 4.690 4.536 4.420 4.682 . 0 0 "[ . 1 . 2]" 1
1125 1 71 PHE HD2 1 72 GLN H 4.050 . 4.050 3.139 2.984 3.245 . 0 0 "[ . 1 . 2]" 1
1126 1 71 PHE HD2 1 75 VAL H 5.440 . 5.440 5.259 5.104 5.425 . 0 0 "[ . 1 . 2]" 1
1127 1 71 PHE HD2 2 79 ALA MB 4.440 . 4.440 3.441 3.300 3.534 . 0 0 "[ . 1 . 2]" 1
1128 1 71 PHE HD2 2 83 VAL MG1 3.740 . 3.740 2.007 1.959 2.074 . 0 0 "[ . 1 . 2]" 1
1129 1 71 PHE HE2 2 78 VAL QG 5.150 . 5.150 4.656 4.538 4.854 . 0 0 "[ . 1 . 2]" 1
1130 1 71 PHE HE2 2 79 ALA H 5.190 . 5.190 5.195 5.191 5.208 0.018 16 0 "[ . 1 . 2]" 1
1131 1 71 PHE HE2 2 79 ALA HA 4.650 . 4.650 2.484 2.420 2.558 . 0 0 "[ . 1 . 2]" 1
1132 1 71 PHE HE2 2 79 ALA MB 3.940 . 3.940 2.850 2.651 2.996 . 0 0 "[ . 1 . 2]" 1
1133 1 71 PHE HE2 2 82 THR H 5.440 . 5.440 4.601 4.452 4.742 . 0 0 "[ . 1 . 2]" 1
1134 1 71 PHE HE2 2 82 THR MG 3.800 . 3.800 2.611 2.548 2.706 . 0 0 "[ . 1 . 2]" 1
1135 1 71 PHE HE2 2 83 VAL MG1 3.930 . 3.930 3.430 3.167 3.579 . 0 0 "[ . 1 . 2]" 1
1136 1 72 GLN H 1 72 GLN QB 2.760 . 2.760 2.255 2.235 2.271 . 0 0 "[ . 1 . 2]" 1
1137 1 72 GLN H 1 73 GLU HA 5.500 . 5.500 5.428 5.401 5.468 . 0 0 "[ . 1 . 2]" 1
1138 1 72 GLN H 1 75 VAL QG 4.720 . 4.720 4.645 4.628 4.682 . 0 0 "[ . 1 . 2]" 1
1139 1 72 GLN H 2 79 ALA MB 4.870 . 4.870 4.748 4.670 4.872 0.002 12 0 "[ . 1 . 2]" 1
1140 1 72 GLN H 2 80 ALA HA 5.500 . 5.500 6.290 6.204 6.357 0.857 16 20 [***************+**-*] 1
1141 1 72 GLN H 2 83 VAL MG1 3.800 . 3.800 2.373 2.284 2.483 . 0 0 "[ . 1 . 2]" 1
1142 1 72 GLN HA 1 72 GLN QE 4.610 . 4.610 4.441 4.434 4.453 . 0 0 "[ . 1 . 2]" 1
1143 1 72 GLN HA 1 72 GLN HG2 4.240 . 4.240 3.084 3.023 3.210 . 0 0 "[ . 1 . 2]" 1
1144 1 72 GLN HA 1 72 GLN HG3 3.970 . 3.970 2.371 2.349 2.418 . 0 0 "[ . 1 . 2]" 1
1145 1 72 GLN HA 1 75 VAL HB 4.530 . 4.530 3.192 3.110 3.255 . 0 0 "[ . 1 . 2]" 1
1146 1 72 GLN HA 1 75 VAL QG 3.920 . 3.920 3.467 3.387 3.536 . 0 0 "[ . 1 . 2]" 1
1147 1 72 GLN HA 2 79 ALA MB 4.350 . 4.350 2.375 2.281 2.565 . 0 0 "[ . 1 . 2]" 1
1148 1 72 GLN HA 2 80 ALA H 5.170 . 5.170 5.282 5.241 5.354 0.184 12 0 "[ . 1 . 2]" 1
1149 1 72 GLN HA 2 80 ALA MB 5.460 . 5.460 5.490 5.469 5.529 0.069 16 0 "[ . 1 . 2]" 1
1150 1 72 GLN HA 2 83 VAL MG1 4.110 . 4.110 2.998 2.924 3.071 . 0 0 "[ . 1 . 2]" 1
1151 1 72 GLN QB 1 73 GLU H 3.280 . 3.280 2.483 2.414 2.552 . 0 0 "[ . 1 . 2]" 1
1152 1 72 GLN QB 2 79 ALA MB 4.220 . 4.220 3.843 3.775 3.942 . 0 0 "[ . 1 . 2]" 1
1153 1 72 GLN QB 2 80 ALA H 5.350 . 5.350 5.486 5.386 5.506 0.156 12 0 "[ . 1 . 2]" 1
1154 1 72 GLN QB 2 80 ALA MB 4.520 . 4.520 4.792 4.724 4.822 0.302 9 0 "[ . 1 . 2]" 1
1155 1 72 GLN QB 2 83 VAL HB 4.640 . 4.640 3.735 3.724 3.758 . 0 0 "[ . 1 . 2]" 1
1156 1 72 GLN QB 2 83 VAL MG1 3.660 . 3.660 1.987 1.953 2.024 . 0 0 "[ . 1 . 2]" 1
1157 1 72 GLN QE 1 72 GLN HG3 . . 3.270 2.229 2.182 2.265 . 0 0 "[ . 1 . 2]" 1
1158 1 72 GLN QE 2 76 VAL HA 5.500 . 5.500 4.815 4.642 4.955 . 0 0 "[ . 1 . 2]" 1
1159 1 72 GLN QE 2 76 VAL MG1 . . 4.210 3.351 3.147 3.577 . 0 0 "[ . 1 . 2]" 1
1160 1 72 GLN QE 2 80 ALA H . . 4.650 3.554 3.465 3.624 . 0 0 "[ . 1 . 2]" 1
1161 1 72 GLN QE 2 80 ALA HA . . 3.920 2.589 2.506 2.688 . 0 0 "[ . 1 . 2]" 1
1162 1 72 GLN QE 2 80 ALA MB . . 3.710 2.096 2.027 2.176 . 0 0 "[ . 1 . 2]" 1
1163 1 72 GLN QE 2 83 VAL MG2 4.340 . 4.340 3.264 3.224 3.297 . 0 0 "[ . 1 . 2]" 1
1164 1 72 GLN HG2 1 73 GLU H 3.660 . 3.660 3.768 3.656 3.848 0.188 3 0 "[ . 1 . 2]" 1
1165 1 72 GLN HG2 2 83 VAL MG1 4.480 . 4.480 4.495 4.443 4.563 0.083 12 0 "[ . 1 . 2]" 1
1166 1 72 GLN HG3 1 75 VAL HB 4.880 . 4.880 4.634 4.511 4.727 . 0 0 "[ . 1 . 2]" 1
1167 1 72 GLN HG3 2 79 ALA MB 4.140 . 4.140 2.733 2.646 2.907 . 0 0 "[ . 1 . 2]" 1
1168 1 72 GLN HG3 2 80 ALA H 5.500 . 5.500 3.911 3.830 4.011 . 0 0 "[ . 1 . 2]" 1
1169 1 72 GLN HG3 2 80 ALA MB 4.850 . 4.850 3.673 3.627 3.758 . 0 0 "[ . 1 . 2]" 1
1170 1 72 GLN HG3 2 83 VAL MG1 4.270 . 4.270 3.575 3.477 3.709 . 0 0 "[ . 1 . 2]" 1
1171 1 73 GLU H 1 73 GLU HG2 3.460 . 3.460 3.137 2.590 3.466 0.006 14 0 "[ . 1 . 2]" 1
1172 1 73 GLU H 1 74 TYR HD2 5.500 . 5.500 5.525 5.511 5.554 0.054 16 0 "[ . 1 . 2]" 1
1173 1 73 GLU H 1 76 VAL H 4.980 . 4.980 4.743 4.593 4.859 . 0 0 "[ . 1 . 2]" 1
1174 1 73 GLU HA 1 73 GLU HG2 3.800 . 3.800 2.632 2.316 3.128 . 0 0 "[ . 1 . 2]" 1
1175 1 73 GLU HA 1 75 VAL H 5.010 . 5.010 4.293 4.082 4.453 . 0 0 "[ . 1 . 2]" 1
1176 1 73 GLU HA 1 76 VAL H 3.640 . 3.640 3.329 2.952 3.562 . 0 0 "[ . 1 . 2]" 1
1177 1 73 GLU HA 1 76 VAL HB 3.450 . 3.450 2.715 2.418 2.928 . 0 0 "[ . 1 . 2]" 1
1178 1 73 GLU HA 1 77 LEU H 5.220 . 5.220 4.203 4.034 4.328 . 0 0 "[ . 1 . 2]" 1
1179 1 73 GLU HA 1 77 LEU QD 4.150 . 4.150 4.156 3.974 4.474 0.324 20 0 "[ . 1 . 2]" 1
1180 1 73 GLU HB2 1 74 TYR H 4.070 . 4.070 2.711 2.472 2.956 . 0 0 "[ . 1 . 2]" 1
1181 1 73 GLU HB3 1 74 TYR H 4.070 . 4.070 3.128 2.816 3.710 . 0 0 "[ . 1 . 2]" 1
1182 1 74 TYR H 1 74 TYR HB2 3.590 . 3.590 2.928 2.875 2.982 . 0 0 "[ . 1 . 2]" 1
1183 1 74 TYR H 1 74 TYR HB3 3.460 . 3.460 2.018 1.999 2.043 . 0 0 "[ . 1 . 2]" 1
1184 1 74 TYR H 1 74 TYR HD2 4.080 . 4.080 3.876 3.814 3.942 . 0 0 "[ . 1 . 2]" 1
1185 1 74 TYR H 1 75 VAL H 3.560 . 3.560 2.731 2.641 2.780 . 0 0 "[ . 1 . 2]" 1
1186 1 74 TYR H 1 75 VAL HB 5.010 . 5.010 4.961 4.830 5.014 0.004 4 0 "[ . 1 . 2]" 1
1187 1 74 TYR H 1 75 VAL QG 4.700 . 4.700 4.223 4.154 4.271 . 0 0 "[ . 1 . 2]" 1
1188 1 74 TYR H 1 76 VAL H 4.150 . 4.150 4.171 4.052 4.254 0.104 3 0 "[ . 1 . 2]" 1
1189 1 74 TYR H 1 77 LEU QD 4.010 . 4.010 4.191 3.969 4.475 0.465 20 0 "[ . 1 . 2]" 1
1190 1 74 TYR HA 1 74 TYR HD1 4.410 . 4.410 3.068 2.950 3.198 . 0 0 "[ . 1 . 2]" 1
1191 1 74 TYR HA 1 76 VAL H 5.090 . 5.090 4.487 4.425 4.559 . 0 0 "[ . 1 . 2]" 1
1192 1 74 TYR HA 1 77 LEU H 4.680 . 4.680 3.642 3.566 3.707 . 0 0 "[ . 1 . 2]" 1
1193 1 74 TYR HA 1 77 LEU QD 3.820 . 3.820 2.372 2.256 2.553 . 0 0 "[ . 1 . 2]" 1
1194 1 74 TYR HA 1 78 VAL H 5.110 . 5.110 4.200 4.123 4.299 . 0 0 "[ . 1 . 2]" 1
1195 1 74 TYR HB2 1 75 VAL H 4.330 . 4.330 4.152 4.115 4.185 . 0 0 "[ . 1 . 2]" 1
1196 1 74 TYR HB3 1 74 TYR HE2 5.320 . 5.320 4.697 4.669 4.718 . 0 0 "[ . 1 . 2]" 1
1197 1 74 TYR HB3 1 75 VAL H 3.570 . 3.570 2.926 2.862 2.990 . 0 0 "[ . 1 . 2]" 1
1198 1 74 TYR HB3 1 75 VAL QG 4.310 . 4.310 3.665 3.602 3.714 . 0 0 "[ . 1 . 2]" 1
1199 1 74 TYR HD1 1 77 LEU QD 4.160 . 4.160 4.406 4.371 4.463 0.303 5 0 "[ . 1 . 2]" 1
1200 1 74 TYR HD1 1 78 VAL H 5.460 . 5.460 4.972 4.892 5.084 . 0 0 "[ . 1 . 2]" 1
1201 1 74 TYR HD1 1 78 VAL QG 4.130 . 4.130 2.994 2.877 3.069 . 0 0 "[ . 1 . 2]" 1
1202 1 74 TYR HD2 1 75 VAL H 3.880 . 3.880 2.915 2.846 2.965 . 0 0 "[ . 1 . 2]" 1
1203 1 74 TYR HD2 1 75 VAL QG 3.540 . 3.540 2.142 2.112 2.168 . 0 0 "[ . 1 . 2]" 1
1204 1 74 TYR HD2 1 76 VAL H 5.500 . 5.500 5.468 5.407 5.502 0.002 17 0 "[ . 1 . 2]" 1
1205 1 74 TYR HD2 1 78 VAL QG 5.500 . 5.500 4.458 4.368 4.537 . 0 0 "[ . 1 . 2]" 1
1206 1 74 TYR HE1 1 78 VAL QG 4.140 . 4.140 2.616 2.495 2.742 . 0 0 "[ . 1 . 2]" 1
1207 1 74 TYR HE2 1 75 VAL QG 3.780 . 3.780 2.686 2.585 2.758 . 0 0 "[ . 1 . 2]" 1
1208 1 74 TYR HE2 1 78 VAL QG 5.110 . 5.110 3.973 3.904 4.077 . 0 0 "[ . 1 . 2]" 1
1209 1 75 VAL H 1 75 VAL HB 3.320 . 3.320 2.453 2.435 2.475 . 0 0 "[ . 1 . 2]" 1
1210 1 75 VAL H 1 75 VAL QG . . 3.190 2.288 2.272 2.302 . 0 0 "[ . 1 . 2]" 1
1211 1 75 VAL H 1 76 VAL H 3.510 . 3.510 2.589 2.565 2.619 . 0 0 "[ . 1 . 2]" 1
1212 1 75 VAL H 1 76 VAL HB 4.970 . 4.970 4.718 4.713 4.728 . 0 0 "[ . 1 . 2]" 1
1213 1 75 VAL H 1 77 LEU QD 4.020 . 4.020 5.006 4.842 5.178 1.158 20 20 [*******-***********+] 1
1214 1 75 VAL HA 1 78 VAL H 3.820 . 3.820 3.186 3.117 3.276 . 0 0 "[ . 1 . 2]" 1
1215 1 75 VAL HA 1 78 VAL HB 4.880 . 4.880 2.204 2.122 2.269 . 0 0 "[ . 1 . 2]" 1
1216 1 75 VAL HA 1 78 VAL QG . . 3.870 2.860 2.784 2.919 . 0 0 "[ . 1 . 2]" 1
1217 1 75 VAL HA 1 79 ALA H 4.230 . 4.230 3.821 3.785 3.912 . 0 0 "[ . 1 . 2]" 1
1218 1 75 VAL HB 1 76 VAL H 3.490 . 3.490 2.808 2.792 2.839 . 0 0 "[ . 1 . 2]" 1
1219 1 75 VAL QG 1 76 VAL H . . 3.650 3.276 3.259 3.299 . 0 0 "[ . 1 . 2]" 1
1220 1 75 VAL QG 1 76 VAL HA 3.720 . 3.720 3.466 3.436 3.491 . 0 0 "[ . 1 . 2]" 1
1221 1 75 VAL QG 1 76 VAL MG1 5.100 . 5.100 4.916 4.905 4.936 . 0 0 "[ . 1 . 2]" 1
1222 1 75 VAL QG 1 76 VAL MG2 . . 3.730 3.627 3.604 3.669 . 0 0 "[ . 1 . 2]" 1
1223 1 75 VAL QG 1 77 LEU H 5.020 . 5.020 4.644 4.616 4.661 . 0 0 "[ . 1 . 2]" 1
1224 1 75 VAL QG 1 78 VAL H . . 4.820 4.179 4.137 4.246 . 0 0 "[ . 1 . 2]" 1
1225 1 75 VAL QG 1 78 VAL HB 5.170 . 5.170 3.189 3.088 3.296 . 0 0 "[ . 1 . 2]" 1
1226 1 75 VAL QG 1 78 VAL QG . . 3.200 3.104 3.017 3.189 . 0 0 "[ . 1 . 2]" 1
1227 1 75 VAL QG 1 79 ALA H . . 3.860 3.616 3.547 3.732 . 0 0 "[ . 1 . 2]" 1
1228 1 75 VAL QG 2 8 MET ME 4.100 . 4.100 3.209 3.077 3.503 . 0 0 "[ . 1 . 2]" 1
1229 1 75 VAL QG 2 76 VAL HA 5.030 . 5.030 3.650 3.324 4.000 . 0 0 "[ . 1 . 2]" 1
1230 1 75 VAL QG 2 79 ALA H 5.500 . 5.500 3.711 3.626 3.777 . 0 0 "[ . 1 . 2]" 1
1231 1 75 VAL QG 2 79 ALA HA . . 4.360 3.438 3.358 3.525 . 0 0 "[ . 1 . 2]" 1
1232 1 75 VAL QG 2 79 ALA MB . . 3.300 1.998 1.938 2.057 . 0 0 "[ . 1 . 2]" 1
1233 1 76 VAL H 1 76 VAL HB 3.010 . 3.010 2.460 2.422 2.488 . 0 0 "[ . 1 . 2]" 1
1234 1 76 VAL H 1 76 VAL MG1 4.020 . 4.020 3.796 3.784 3.807 . 0 0 "[ . 1 . 2]" 1
1235 1 76 VAL H 1 76 VAL MG2 2.870 . 2.870 2.274 2.239 2.314 . 0 0 "[ . 1 . 2]" 1
1236 1 76 VAL H 1 77 LEU H 3.780 . 3.780 2.719 2.665 2.750 . 0 0 "[ . 1 . 2]" 1
1237 1 76 VAL H 1 77 LEU HG 5.180 . 5.180 4.329 4.253 4.402 . 0 0 "[ . 1 . 2]" 1
1238 1 76 VAL H 1 78 VAL H 4.690 . 4.690 4.099 4.062 4.147 . 0 0 "[ . 1 . 2]" 1
1239 1 76 VAL H 1 79 ALA H 4.900 . 4.900 4.727 4.684 4.771 . 0 0 "[ . 1 . 2]" 1
1240 1 76 VAL H 1 79 ALA MB 4.820 . 4.820 4.819 4.754 4.867 0.047 4 0 "[ . 1 . 2]" 1
1241 1 76 VAL HA 1 76 VAL MG1 3.350 . 3.350 2.502 2.484 2.520 . 0 0 "[ . 1 . 2]" 1
1242 1 76 VAL HA 1 76 VAL MG2 3.200 . 3.200 2.434 2.382 2.461 . 0 0 "[ . 1 . 2]" 1
1243 1 76 VAL HA 1 79 ALA MB 3.680 . 3.680 2.877 2.759 2.939 . 0 0 "[ . 1 . 2]" 1
1244 1 76 VAL HA 2 72 GLN QE 5.500 . 5.500 4.789 4.530 4.993 . 0 0 "[ . 1 . 2]" 1
1245 1 76 VAL HA 2 75 VAL QG 5.030 . 5.030 3.899 3.477 4.142 . 0 0 "[ . 1 . 2]" 1
1246 1 76 VAL HB 1 77 LEU H 3.640 . 3.640 2.507 2.434 2.581 . 0 0 "[ . 1 . 2]" 1
1247 1 76 VAL HB 1 77 LEU QD 3.180 . 3.180 3.688 3.607 3.744 0.564 3 13 "[ +**** *1* * **- **]" 1
1248 1 76 VAL HB 1 77 LEU HG 4.470 . 4.470 3.039 2.880 3.199 . 0 0 "[ . 1 . 2]" 1
1249 1 76 VAL HB 1 79 ALA MB 5.460 . 5.460 5.331 5.214 5.410 . 0 0 "[ . 1 . 2]" 1
1250 1 76 VAL MG1 1 80 ALA H 4.360 . 4.360 4.178 4.096 4.238 . 0 0 "[ . 1 . 2]" 1
1251 1 76 VAL MG1 1 80 ALA MB 3.750 . 3.750 3.338 3.185 3.448 . 0 0 "[ . 1 . 2]" 1
1252 1 76 VAL MG1 2 72 GLN QE . . 4.210 3.423 3.205 3.669 . 0 0 "[ . 1 . 2]" 1
1253 1 77 LEU H 1 77 LEU QB 3.410 . 3.410 2.436 2.414 2.461 . 0 0 "[ . 1 . 2]" 1
1254 1 77 LEU H 1 77 LEU QD 3.060 . 3.060 3.001 2.942 3.055 . 0 0 "[ . 1 . 2]" 1
1255 1 77 LEU H 1 77 LEU HG 3.150 . 3.150 2.121 2.067 2.177 . 0 0 "[ . 1 . 2]" 1
1256 1 77 LEU H 1 78 VAL H 3.330 . 3.330 2.615 2.580 2.645 . 0 0 "[ . 1 . 2]" 1
1257 1 77 LEU H 1 78 VAL QG 4.490 . 4.490 4.292 4.250 4.338 . 0 0 "[ . 1 . 2]" 1
1258 1 77 LEU H 1 79 ALA H 4.190 . 4.190 4.160 4.098 4.192 0.002 15 0 "[ . 1 . 2]" 1
1259 1 77 LEU H 1 80 ALA H 5.220 . 5.220 4.662 4.605 4.723 . 0 0 "[ . 1 . 2]" 1
1260 1 77 LEU HA 1 77 LEU QD 3.550 . 3.550 2.213 2.162 2.269 . 0 0 "[ . 1 . 2]" 1
1261 1 77 LEU HA 1 80 ALA H 3.730 . 3.730 3.290 3.203 3.368 . 0 0 "[ . 1 . 2]" 1
1262 1 77 LEU HA 1 80 ALA MB 3.450 . 3.450 2.475 2.402 2.550 . 0 0 "[ . 1 . 2]" 1
1263 1 77 LEU QD 1 78 VAL H 3.280 . 3.280 4.035 3.982 4.097 0.817 17 20 [*******-********+***] 1
1264 1 77 LEU HG 1 80 ALA MB 4.700 . 4.700 4.919 4.828 4.987 0.287 16 0 "[ . 1 . 2]" 1
1265 1 78 VAL H 1 78 VAL HB 3.770 . 3.770 2.287 2.206 2.337 . 0 0 "[ . 1 . 2]" 1
1266 1 78 VAL H 1 78 VAL QG 2.970 . 2.970 2.423 2.369 2.498 . 0 0 "[ . 1 . 2]" 1
1267 1 78 VAL H 1 79 ALA H 3.090 . 3.090 2.706 2.670 2.730 . 0 0 "[ . 1 . 2]" 1
1268 1 78 VAL HA 1 81 LEU H 4.150 . 4.150 3.517 3.454 3.598 . 0 0 "[ . 1 . 2]" 1
1269 1 78 VAL HB 1 79 ALA H 4.220 . 4.220 2.684 2.641 2.746 . 0 0 "[ . 1 . 2]" 1
1270 1 78 VAL HB 2 8 MET ME 3.640 . 3.640 3.682 3.472 3.865 0.225 5 0 "[ . 1 . 2]" 1
1271 1 78 VAL QG 1 79 ALA H . . 3.400 3.000 2.937 3.051 . 0 0 "[ . 1 . 2]" 1
1272 1 78 VAL QG 1 79 ALA HA 5.500 . 5.500 3.164 3.104 3.226 . 0 0 "[ . 1 . 2]" 1
1273 1 78 VAL QG 1 79 ALA MB . . 3.240 3.591 3.552 3.639 0.399 5 0 "[ . 1 . 2]" 1
1274 1 78 VAL QG 1 80 ALA H 5.500 . 5.500 4.538 4.512 4.558 . 0 0 "[ . 1 . 2]" 1
1275 1 78 VAL QG 2 8 MET ME . . 2.860 2.076 1.954 2.189 . 0 0 "[ . 1 . 2]" 1
1276 1 78 VAL QG 2 71 PHE HE2 5.150 . 5.150 4.550 4.435 4.669 . 0 0 "[ . 1 . 2]" 1
1277 1 79 ALA H 1 79 ALA MB 2.910 . 2.910 2.209 2.194 2.223 . 0 0 "[ . 1 . 2]" 1
1278 1 79 ALA H 1 80 ALA H 3.340 . 3.340 2.630 2.598 2.660 . 0 0 "[ . 1 . 2]" 1
1279 1 79 ALA H 1 81 LEU H 4.530 . 4.530 4.223 4.152 4.334 . 0 0 "[ . 1 . 2]" 1
1280 1 79 ALA H 2 8 MET ME 4.240 . 4.240 3.415 3.273 3.698 . 0 0 "[ . 1 . 2]" 1
1281 1 79 ALA H 2 71 PHE HE2 5.190 . 5.190 5.196 5.191 5.212 0.022 5 0 "[ . 1 . 2]" 1
1282 1 79 ALA H 2 75 VAL QG 5.500 . 5.500 3.750 3.632 3.851 . 0 0 "[ . 1 . 2]" 1
1283 1 79 ALA HA 1 82 THR H 4.060 . 4.060 3.239 3.102 3.326 . 0 0 "[ . 1 . 2]" 1
1284 1 79 ALA HA 1 82 THR HB 4.220 . 4.220 2.461 2.360 2.572 . 0 0 "[ . 1 . 2]" 1
1285 1 79 ALA HA 2 8 MET ME 3.560 . 3.560 2.386 2.179 2.619 . 0 0 "[ . 1 . 2]" 1
1286 1 79 ALA HA 2 71 PHE HE2 4.650 . 4.650 2.467 2.422 2.530 . 0 0 "[ . 1 . 2]" 1
1287 1 79 ALA HA 2 75 VAL QG . . 4.360 3.423 3.330 3.519 . 0 0 "[ . 1 . 2]" 1
1288 1 79 ALA MB 1 80 ALA H 3.040 . 3.040 2.595 2.550 2.639 . 0 0 "[ . 1 . 2]" 1
1289 1 79 ALA MB 1 82 THR HB 4.310 . 4.310 3.780 3.672 3.888 . 0 0 "[ . 1 . 2]" 1
1290 1 79 ALA MB 1 83 VAL H 5.050 . 5.050 4.475 4.402 4.539 . 0 0 "[ . 1 . 2]" 1
1291 1 79 ALA MB 2 8 MET ME 3.430 . 3.430 2.617 2.464 2.899 . 0 0 "[ . 1 . 2]" 1
1292 1 79 ALA MB 2 71 PHE HD2 4.440 . 4.440 3.438 3.381 3.501 . 0 0 "[ . 1 . 2]" 1
1293 1 79 ALA MB 2 71 PHE HE2 3.940 . 3.940 2.950 2.877 3.057 . 0 0 "[ . 1 . 2]" 1
1294 1 79 ALA MB 2 72 GLN H 4.870 . 4.870 4.686 4.598 4.761 . 0 0 "[ . 1 . 2]" 1
1295 1 79 ALA MB 2 72 GLN HA 4.350 . 4.350 2.285 2.180 2.425 . 0 0 "[ . 1 . 2]" 1
1296 1 79 ALA MB 2 72 GLN QB 4.220 . 4.220 3.794 3.730 3.904 . 0 0 "[ . 1 . 2]" 1
1297 1 79 ALA MB 2 72 GLN HG3 4.140 . 4.140 2.678 2.603 2.845 . 0 0 "[ . 1 . 2]" 1
1298 1 79 ALA MB 2 75 VAL QG . . 3.300 2.051 1.971 2.110 . 0 0 "[ . 1 . 2]" 1
1299 1 80 ALA H 1 80 ALA MB 3.150 . 3.150 2.213 2.201 2.224 . 0 0 "[ . 1 . 2]" 1
1300 1 80 ALA H 1 81 LEU H 3.400 . 3.400 2.707 2.669 2.731 . 0 0 "[ . 1 . 2]" 1
1301 1 80 ALA H 1 81 LEU HA 5.350 . 5.350 5.337 5.311 5.351 0.001 2 0 "[ . 1 . 2]" 1
1302 1 80 ALA H 1 81 LEU HB2 4.770 . 4.770 4.804 4.695 4.977 0.207 15 0 "[ . 1 . 2]" 1
1303 1 80 ALA H 1 82 THR HB 5.500 . 5.500 5.073 5.000 5.143 . 0 0 "[ . 1 . 2]" 1
1304 1 80 ALA H 1 83 VAL MG1 5.110 . 5.110 5.140 5.019 5.218 0.108 15 0 "[ . 1 . 2]" 1
1305 1 80 ALA H 1 83 VAL MG2 5.360 . 5.360 4.266 4.181 4.343 . 0 0 "[ . 1 . 2]" 1
1306 1 80 ALA H 2 72 GLN HA 5.170 . 5.170 5.228 5.162 5.289 0.119 7 0 "[ . 1 . 2]" 1
1307 1 80 ALA H 2 72 GLN QB 5.350 . 5.350 5.439 5.350 5.502 0.152 16 0 "[ . 1 . 2]" 1
1308 1 80 ALA H 2 72 GLN QE . . 4.650 3.505 3.427 3.601 . 0 0 "[ . 1 . 2]" 1
1309 1 80 ALA H 2 72 GLN HG3 5.500 . 5.500 3.841 3.744 3.969 . 0 0 "[ . 1 . 2]" 1
1310 1 80 ALA HA 1 83 VAL H 4.210 . 4.210 3.494 3.401 3.602 . 0 0 "[ . 1 . 2]" 1
1311 1 80 ALA HA 1 83 VAL HB 4.990 . 4.990 5.077 4.934 5.215 0.225 8 0 "[ . 1 . 2]" 1
1312 1 80 ALA HA 1 83 VAL MG2 3.810 . 3.810 2.084 1.963 2.200 . 0 0 "[ . 1 . 2]" 1
1313 1 80 ALA HA 1 84 ALA H 5.130 . 5.130 4.498 4.228 4.791 . 0 0 "[ . 1 . 2]" 1
1314 1 80 ALA HA 2 72 GLN H 5.500 . 5.500 6.240 6.135 6.349 0.849 16 20 [**********-****+****] 1
1315 1 80 ALA HA 2 72 GLN QE . . 3.920 2.544 2.437 2.661 . 0 0 "[ . 1 . 2]" 1
1316 1 80 ALA MB 1 81 LEU H 3.270 . 3.270 2.526 2.458 2.588 . 0 0 "[ . 1 . 2]" 1
1317 1 80 ALA MB 1 81 LEU HA 4.830 . 4.830 3.894 3.864 3.927 . 0 0 "[ . 1 . 2]" 1
1318 1 80 ALA MB 1 81 LEU HB2 4.040 . 4.040 3.861 3.792 3.968 . 0 0 "[ . 1 . 2]" 1
1319 1 80 ALA MB 1 83 VAL MG2 3.800 . 3.800 3.434 3.323 3.535 . 0 0 "[ . 1 . 2]" 1
1320 1 80 ALA MB 2 72 GLN HA 5.460 . 5.460 5.485 5.467 5.512 0.052 16 0 "[ . 1 . 2]" 1
1321 1 80 ALA MB 2 72 GLN QB 4.520 . 4.520 4.782 4.703 4.857 0.337 16 0 "[ . 1 . 2]" 1
1322 1 80 ALA MB 2 72 GLN QE . . 3.710 2.082 2.036 2.150 . 0 0 "[ . 1 . 2]" 1
1323 1 80 ALA MB 2 72 GLN HG3 4.850 . 4.850 3.656 3.617 3.718 . 0 0 "[ . 1 . 2]" 1
1324 1 81 LEU H 1 81 LEU HB2 3.050 . 3.050 2.251 2.164 2.399 . 0 0 "[ . 1 . 2]" 1
1325 1 81 LEU H 1 81 LEU HB3 3.620 . 3.620 2.799 2.639 2.905 . 0 0 "[ . 1 . 2]" 1
1326 1 81 LEU H 1 81 LEU MD1 3.780 . 3.780 4.029 3.946 4.148 0.368 15 0 "[ . 1 . 2]" 1
1327 1 81 LEU H 1 81 LEU MD2 4.520 . 4.520 4.399 4.331 4.429 . 0 0 "[ . 1 . 2]" 1
1328 1 81 LEU H 1 82 THR HB 4.600 . 4.600 4.849 4.822 4.854 0.254 7 0 "[ . 1 . 2]" 1
1329 1 81 LEU H 1 83 VAL MG2 5.310 . 5.310 4.415 4.349 4.475 . 0 0 "[ . 1 . 2]" 1
1330 1 81 LEU HA 1 81 LEU MD1 3.580 . 3.580 3.460 3.377 3.579 . 0 0 "[ . 1 . 2]" 1
1331 1 81 LEU HA 1 81 LEU MD2 3.750 . 3.750 3.124 2.851 3.284 . 0 0 "[ . 1 . 2]" 1
1332 1 81 LEU HA 1 84 ALA H 4.070 . 4.070 3.361 3.213 3.486 . 0 0 "[ . 1 . 2]" 1
1333 1 81 LEU HA 1 84 ALA MB 4.100 . 4.100 2.728 2.417 2.958 . 0 0 "[ . 1 . 2]" 1
1334 1 81 LEU HB2 1 81 LEU MD1 3.270 . 3.270 2.146 2.123 2.165 . 0 0 "[ . 1 . 2]" 1
1335 1 81 LEU HB2 1 81 LEU MD2 3.260 . 3.260 3.172 3.153 3.220 . 0 0 "[ . 1 . 2]" 1
1336 1 81 LEU HB2 1 82 THR H 3.940 . 3.940 3.687 3.595 3.800 . 0 0 "[ . 1 . 2]" 1
1337 1 81 LEU MD2 1 82 THR H 4.100 . 4.100 3.919 3.673 4.092 . 0 0 "[ . 1 . 2]" 1
1338 1 81 LEU MD2 1 82 THR HA 4.510 . 4.510 3.576 3.226 3.856 . 0 0 "[ . 1 . 2]" 1
1339 1 81 LEU MD2 1 83 VAL H 5.340 . 5.340 5.477 5.269 5.524 0.184 5 0 "[ . 1 . 2]" 1
1340 1 81 LEU MD2 1 84 ALA H 4.710 . 4.710 4.643 4.424 4.723 0.013 16 0 "[ . 1 . 2]" 1
1341 1 81 LEU MD2 1 84 ALA MB 3.590 . 3.590 3.489 3.081 3.619 0.029 13 0 "[ . 1 . 2]" 1
1342 1 82 THR H 1 82 THR MG 4.230 . 4.230 3.785 3.771 3.798 . 0 0 "[ . 1 . 2]" 1
1343 1 82 THR H 1 83 VAL H 3.960 . 3.960 2.860 2.785 2.920 . 0 0 "[ . 1 . 2]" 1
1344 1 82 THR H 1 84 ALA H 5.500 . 5.500 4.063 3.941 4.193 . 0 0 "[ . 1 . 2]" 1
1345 1 82 THR H 2 71 PHE HE2 5.440 . 5.440 4.591 4.468 4.743 . 0 0 "[ . 1 . 2]" 1
1346 1 82 THR HB 1 83 VAL H 3.720 . 3.720 2.648 2.515 2.735 . 0 0 "[ . 1 . 2]" 1
1347 1 82 THR HB 2 8 MET ME 3.890 . 3.890 3.265 3.058 3.432 . 0 0 "[ . 1 . 2]" 1
1348 1 82 THR MG 1 83 VAL H 4.330 . 4.330 3.551 3.448 3.644 . 0 0 "[ . 1 . 2]" 1
1349 1 82 THR MG 1 83 VAL MG1 4.260 . 4.260 3.416 3.346 3.543 . 0 0 "[ . 1 . 2]" 1
1350 1 82 THR MG 2 8 MET HB3 4.610 . 4.610 2.673 2.385 2.939 . 0 0 "[ . 1 . 2]" 1
1351 1 82 THR MG 2 8 MET ME 3.710 . 3.710 2.835 2.509 3.061 . 0 0 "[ . 1 . 2]" 1
1352 1 82 THR MG 2 12 ILE MD 3.620 . 3.620 2.436 2.168 2.675 . 0 0 "[ . 1 . 2]" 1
1353 1 82 THR MG 2 12 ILE HG12 4.220 . 4.220 3.698 3.416 3.879 . 0 0 "[ . 1 . 2]" 1
1354 1 82 THR MG 2 12 ILE MG 4.580 . 4.580 4.783 4.512 4.970 0.390 16 0 "[ . 1 . 2]" 1
1355 1 82 THR MG 2 71 PHE QB 4.690 . 4.690 4.450 4.320 4.560 . 0 0 "[ . 1 . 2]" 1
1356 1 82 THR MG 2 71 PHE HE2 3.800 . 3.800 2.577 2.485 2.633 . 0 0 "[ . 1 . 2]" 1
1357 1 83 VAL H 1 83 VAL HB 3.620 . 3.620 3.638 3.628 3.658 0.038 5 0 "[ . 1 . 2]" 1
1358 1 83 VAL H 1 83 VAL MG1 3.390 . 3.390 2.395 2.348 2.441 . 0 0 "[ . 1 . 2]" 1
1359 1 83 VAL H 1 83 VAL MG2 3.570 . 3.570 2.079 2.045 2.134 . 0 0 "[ . 1 . 2]" 1
1360 1 83 VAL H 1 84 ALA H 3.690 . 3.690 2.678 2.548 2.818 . 0 0 "[ . 1 . 2]" 1
1361 1 83 VAL HA 1 83 VAL MG1 3.490 . 3.490 2.183 2.054 2.216 . 0 0 "[ . 1 . 2]" 1
1362 1 83 VAL HB 2 72 GLN QB 4.640 . 4.640 3.727 3.635 3.752 . 0 0 "[ . 1 . 2]" 1
1363 1 83 VAL MG1 2 12 ILE MD 5.500 . 5.500 4.929 4.769 5.037 . 0 0 "[ . 1 . 2]" 1
1364 1 83 VAL MG1 2 71 PHE HD2 3.740 . 3.740 2.009 1.958 2.081 . 0 0 "[ . 1 . 2]" 1
1365 1 83 VAL MG1 2 71 PHE HE2 3.930 . 3.930 3.493 3.318 3.662 . 0 0 "[ . 1 . 2]" 1
1366 1 83 VAL MG1 2 72 GLN H 3.800 . 3.800 2.304 2.184 2.377 . 0 0 "[ . 1 . 2]" 1
1367 1 83 VAL MG1 2 72 GLN HA 4.110 . 4.110 2.981 2.889 3.068 . 0 0 "[ . 1 . 2]" 1
1368 1 83 VAL MG1 2 72 GLN QB 3.660 . 3.660 1.989 1.946 2.025 . 0 0 "[ . 1 . 2]" 1
1369 1 83 VAL MG1 2 72 GLN HG2 4.480 . 4.480 4.489 4.408 4.551 0.071 15 0 "[ . 1 . 2]" 1
1370 1 83 VAL MG1 2 72 GLN HG3 4.270 . 4.270 3.573 3.451 3.784 . 0 0 "[ . 1 . 2]" 1
1371 1 83 VAL MG2 1 84 ALA H 3.590 . 3.590 2.658 2.479 2.926 . 0 0 "[ . 1 . 2]" 1
1372 1 83 VAL MG2 1 84 ALA MB 4.430 . 4.430 3.549 3.289 3.894 . 0 0 "[ . 1 . 2]" 1
1373 1 83 VAL MG2 2 72 GLN QE 4.340 . 4.340 3.280 3.245 3.317 . 0 0 "[ . 1 . 2]" 1
1374 1 84 ALA H 1 84 ALA MB 3.080 . 3.080 2.284 2.255 2.318 . 0 0 "[ . 1 . 2]" 1
1375 1 84 ALA H 1 86 ASN H 4.550 . 4.550 4.155 3.805 4.503 . 0 0 "[ . 1 . 2]" 1
1376 1 87 ASN HA 1 90 TRP HD1 3.790 . 3.790 2.491 1.702 3.793 0.003 3 0 "[ . 1 . 2]" 1
1377 1 87 ASN QB 1 88 PHE H 3.890 . 3.890 3.012 2.626 3.376 . 0 0 "[ . 1 . 2]" 1
1378 1 88 PHE H 1 88 PHE HB2 3.610 . 3.610 2.569 2.043 3.584 . 0 0 "[ . 1 . 2]" 1
1379 1 88 PHE H 1 88 PHE HB3 3.610 . 3.610 2.871 2.246 3.599 . 0 0 "[ . 1 . 2]" 1
1380 1 88 PHE H 1 88 PHE HD1 5.470 . 5.470 4.385 2.401 5.134 . 0 0 "[ . 1 . 2]" 1
1381 1 88 PHE H 1 88 PHE HD2 5.500 . 5.500 3.968 2.372 5.247 . 0 0 "[ . 1 . 2]" 1
1382 1 88 PHE H 1 89 PHE H 3.850 . 3.850 2.883 2.745 3.228 . 0 0 "[ . 1 . 2]" 1
1383 1 88 PHE HA 1 88 PHE HD1 4.750 . 4.750 2.929 2.197 4.335 . 0 0 "[ . 1 . 2]" 1
1384 1 88 PHE QB 1 89 PHE H 3.960 . 3.960 3.218 2.918 3.813 . 0 0 "[ . 1 . 2]" 1
1385 1 88 PHE HB2 1 89 PHE H 4.520 . 4.520 3.885 3.014 4.277 . 0 0 "[ . 1 . 2]" 1
1386 1 88 PHE HB3 1 89 PHE H 4.520 . 4.520 3.593 2.976 4.282 . 0 0 "[ . 1 . 2]" 1
1387 1 89 PHE H 1 90 TRP HB2 5.500 . 5.500 5.067 4.627 5.498 . 0 0 "[ . 1 . 2]" 1
1388 1 89 PHE H 1 90 TRP HE1 5.500 . 5.500 4.909 4.305 5.504 0.004 3 0 "[ . 1 . 2]" 1
1389 1 89 PHE H 2 26 TYR HD2 5.500 . 5.500 5.394 4.722 5.547 0.047 7 0 "[ . 1 . 2]" 1
1390 1 89 PHE HA 1 89 PHE HD1 4.540 . 4.540 2.269 1.930 3.628 . 0 0 "[ . 1 . 2]" 1
1391 1 89 PHE HA 1 89 PHE HD2 4.830 . 4.830 4.523 3.507 4.711 . 0 0 "[ . 1 . 2]" 1
1392 1 89 PHE HA 2 26 TYR HE2 4.510 . 4.510 3.877 2.894 4.187 . 0 0 "[ . 1 . 2]" 1
1393 1 89 PHE QB 1 90 TRP HD1 3.670 . 3.670 3.403 3.093 3.671 0.001 15 0 "[ . 1 . 2]" 1
1394 1 89 PHE QB 1 90 TRP HE1 4.000 . 4.000 3.376 2.881 3.826 . 0 0 "[ . 1 . 2]" 1
1395 1 89 PHE QB 2 26 TYR HE2 3.820 . 3.820 2.310 1.958 3.432 . 0 0 "[ . 1 . 2]" 1
1396 1 89 PHE HD1 2 26 TYR HE2 5.390 . 5.390 4.040 2.899 5.386 . 0 0 "[ . 1 . 2]" 1
1397 1 89 PHE HD2 2 26 TYR HE2 5.500 . 5.500 4.768 2.565 5.466 . 0 0 "[ . 1 . 2]" 1
1398 1 90 TRP H 1 90 TRP HB2 3.660 . 3.660 2.663 2.346 2.970 . 0 0 "[ . 1 . 2]" 1
1399 1 90 TRP H 1 90 TRP HE1 5.030 . 5.030 4.656 4.356 4.991 . 0 0 "[ . 1 . 2]" 1
1400 1 90 TRP H 1 91 GLU H 2.920 . 2.920 2.352 1.831 2.826 . 0 0 "[ . 1 . 2]" 1
1401 1 90 TRP H 1 91 GLU HB2 4.810 . 4.810 4.256 3.531 4.817 0.007 13 0 "[ . 1 . 2]" 1
1402 1 90 TRP HA 1 90 TRP HD1 4.500 . 4.500 4.442 4.074 4.510 0.010 4 0 "[ . 1 . 2]" 1
1403 1 90 TRP HA 1 90 TRP HE3 3.730 . 3.730 2.888 2.567 3.202 . 0 0 "[ . 1 . 2]" 1
1404 1 90 TRP HA 1 90 TRP HZ3 5.500 . 5.500 5.126 4.770 5.250 . 0 0 "[ . 1 . 2]" 1
1405 1 90 TRP HA 1 91 GLU H 3.470 . 3.470 3.199 3.048 3.311 . 0 0 "[ . 1 . 2]" 1
1406 1 90 TRP HA 1 91 GLU HA 4.730 . 4.730 4.467 4.405 4.483 . 0 0 "[ . 1 . 2]" 1
1407 1 90 TRP HB2 1 90 TRP HE3 4.180 . 4.180 4.177 4.086 4.189 0.009 5 0 "[ . 1 . 2]" 1
1408 1 90 TRP HB2 1 91 GLU H 4.020 . 4.020 3.700 3.029 4.017 . 0 0 "[ . 1 . 2]" 1
1409 1 90 TRP HB3 1 90 TRP HE3 3.800 . 3.800 2.700 2.524 2.759 . 0 0 "[ . 1 . 2]" 1
1410 1 90 TRP HB3 1 90 TRP HZ3 5.140 . 5.140 5.113 4.928 5.148 0.008 5 0 "[ . 1 . 2]" 1
1411 1 90 TRP HB3 1 91 GLU H 4.740 . 4.740 4.448 4.059 4.596 . 0 0 "[ . 1 . 2]" 1
1412 1 91 GLU H 1 91 GLU HB3 2.840 . 2.840 2.868 2.535 3.518 0.678 17 2 "[ . 1 . + -2]" 1
1413 1 91 GLU H 1 92 ASN H 4.430 . 4.430 4.120 3.779 4.224 . 0 0 "[ . 1 . 2]" 1
1414 1 91 GLU H 1 92 ASN HA 5.110 . 5.110 4.621 4.361 4.818 . 0 0 "[ . 1 . 2]" 1
1415 1 91 GLU HA 1 91 GLU HG2 3.870 . 3.870 3.194 2.317 3.839 . 0 0 "[ . 1 . 2]" 1
1416 1 91 GLU HA 1 91 GLU QG 3.180 . 3.180 2.610 2.254 3.178 . 0 0 "[ . 1 . 2]" 1
1417 1 91 GLU HA 1 91 GLU HG3 3.870 . 3.870 2.874 2.433 3.649 . 0 0 "[ . 1 . 2]" 1
1418 1 91 GLU HA 1 92 ASN H 3.160 . 3.160 2.223 2.088 2.654 . 0 0 "[ . 1 . 2]" 1
1419 1 91 GLU HB3 1 92 ASN H 4.310 . 4.310 3.973 2.535 4.336 0.026 7 0 "[ . 1 . 2]" 1
1420 1 91 GLU HB3 1 93 SER H 5.070 . 5.070 4.192 2.915 5.076 0.006 4 0 "[ . 1 . 2]" 1
1421 1 91 GLU QG 1 92 ASN H 4.540 . 4.540 3.163 1.749 3.998 . 0 0 "[ . 1 . 2]" 1
1422 1 91 GLU QG 1 93 SER H 4.590 . 4.590 3.962 2.713 4.917 0.327 11 0 "[ . 1 . 2]" 1
1423 1 92 ASN H 1 92 ASN QB 3.520 . 3.520 2.435 2.261 3.003 . 0 0 "[ . 1 . 2]" 1
1424 1 92 ASN H 1 93 SER H 4.540 . 4.540 3.943 3.514 4.385 . 0 0 "[ . 1 . 2]" 1
1425 1 92 ASN QB 1 93 SER H 4.070 . 4.070 3.926 3.444 4.080 0.010 17 0 "[ . 1 . 2]" 1
1426 1 92 ASN HB2 1 93 SER H 4.720 . 4.720 4.493 3.613 4.670 . 0 0 "[ . 1 . 2]" 1
1427 1 92 ASN HB3 1 93 SER H 4.720 . 4.720 4.370 3.889 4.646 . 0 0 "[ . 1 . 2]" 1
1428 1 93 SER H 1 93 SER QB 3.180 . 3.180 2.703 2.264 3.187 0.007 13 0 "[ . 1 . 2]" 1
1429 2 1 GLY QA 2 2 SER H 3.240 . 3.240 2.216 2.163 2.297 . 0 0 "[ . 1 . 2]" 1
1430 2 1 GLY QA 2 2 SER HA 4.540 . 4.540 4.046 3.993 4.074 . 0 0 "[ . 1 . 2]" 1
1431 2 1 GLY QA 2 5 GLU QB . . 3.850 2.745 2.368 3.110 . 0 0 "[ . 1 . 2]" 1
1432 2 2 SER H 2 5 GLU H 4.450 . 4.450 3.571 2.941 3.783 . 0 0 "[ . 1 . 2]" 1
1433 2 2 SER H 2 5 GLU HA 5.140 . 5.140 5.058 4.730 5.142 0.002 2 0 "[ . 1 . 2]" 1
1434 2 2 SER H 2 5 GLU QB . . 3.850 2.257 1.998 2.573 . 0 0 "[ . 1 . 2]" 1
1435 2 2 SER H 2 5 GLU HG2 4.890 . 4.890 4.151 3.959 4.324 . 0 0 "[ . 1 . 2]" 1
1436 2 2 SER H 2 5 GLU QG 4.310 . 4.310 3.018 2.635 3.334 . 0 0 "[ . 1 . 2]" 1
1437 2 2 SER H 2 5 GLU HG3 4.890 . 4.890 3.107 2.675 3.494 . 0 0 "[ . 1 . 2]" 1
1438 2 2 SER H 2 6 THR H 4.530 . 4.530 4.400 4.154 4.537 0.007 10 0 "[ . 1 . 2]" 1
1439 2 2 SER HA 2 3 GLU H 3.320 . 3.320 2.599 2.473 2.691 . 0 0 "[ . 1 . 2]" 1
1440 2 2 SER HA 2 5 GLU H 4.800 . 4.800 4.559 4.477 4.618 . 0 0 "[ . 1 . 2]" 1
1441 2 2 SER QB 2 3 GLU H 3.500 . 3.500 2.364 2.157 2.545 . 0 0 "[ . 1 . 2]" 1
1442 2 2 SER QB 2 4 LEU H 4.210 . 4.210 2.845 2.540 3.232 . 0 0 "[ . 1 . 2]" 1
1443 2 3 GLU H 2 3 GLU QB 3.300 . 3.300 2.213 2.098 2.464 . 0 0 "[ . 1 . 2]" 1
1444 2 3 GLU H 2 4 LEU H 3.990 . 3.990 2.711 2.583 2.793 . 0 0 "[ . 1 . 2]" 1
1445 2 3 GLU H 2 4 LEU HB2 4.950 . 4.950 4.791 4.626 4.952 0.002 15 0 "[ . 1 . 2]" 1
1446 2 3 GLU H 2 5 GLU H 5.160 . 5.160 4.115 3.996 4.345 . 0 0 "[ . 1 . 2]" 1
1447 2 3 GLU HA 2 3 GLU HG2 4.050 . 4.050 2.975 2.663 3.698 . 0 0 "[ . 1 . 2]" 1
1448 2 3 GLU HA 2 3 GLU QG 3.270 . 3.270 2.441 2.285 3.304 0.034 9 0 "[ . 1 . 2]" 1
1449 2 3 GLU HA 2 3 GLU HG3 4.050 . 4.050 2.613 2.324 3.725 . 0 0 "[ . 1 . 2]" 1
1450 2 3 GLU HA 2 6 THR HB 4.340 . 4.340 4.715 4.493 4.875 0.535 18 3 "[ . 1 * . +-2]" 1
1451 2 3 GLU HA 2 6 THR MG 3.560 . 3.560 3.780 3.500 3.936 0.376 12 0 "[ . 1 . 2]" 1
1452 2 3 GLU QB 2 4 LEU H 3.570 . 3.570 2.650 2.400 3.596 0.026 9 0 "[ . 1 . 2]" 1
1453 2 3 GLU QB 2 7 ALA H 5.500 . 5.500 5.205 4.471 5.383 . 0 0 "[ . 1 . 2]" 1
1454 2 3 GLU QB 2 7 ALA MB 4.840 . 4.840 4.712 3.797 4.935 0.095 16 0 "[ . 1 . 2]" 1
1455 2 3 GLU QG 2 4 LEU H 4.730 . 4.730 3.842 2.338 4.693 . 0 0 "[ . 1 . 2]" 1
1456 2 3 GLU QG 2 7 ALA MB 4.410 . 4.410 3.905 3.761 4.903 0.493 20 0 "[ . 1 . 2]" 1
1457 2 4 LEU H 2 4 LEU HB2 3.570 . 3.570 2.247 2.188 2.324 . 0 0 "[ . 1 . 2]" 1
1458 2 4 LEU H 2 4 LEU MD1 4.440 . 4.440 4.119 4.054 4.204 . 0 0 "[ . 1 . 2]" 1
1459 2 4 LEU H 2 5 GLU H 3.940 . 3.940 2.632 2.587 2.678 . 0 0 "[ . 1 . 2]" 1
1460 2 4 LEU HA 2 4 LEU MD1 4.040 . 4.040 3.834 3.747 3.867 . 0 0 "[ . 1 . 2]" 1
1461 2 4 LEU HA 2 4 LEU MD2 3.180 . 3.180 2.789 2.574 3.167 . 0 0 "[ . 1 . 2]" 1
1462 2 4 LEU HA 2 4 LEU HG 3.990 . 3.990 2.563 2.476 2.628 . 0 0 "[ . 1 . 2]" 1
1463 2 4 LEU HA 2 7 ALA H 3.710 . 3.710 3.359 3.276 3.445 . 0 0 "[ . 1 . 2]" 1
1464 2 4 LEU HA 2 7 ALA MB 3.520 . 3.520 2.500 2.371 2.589 . 0 0 "[ . 1 . 2]" 1
1465 2 4 LEU HA 2 8 MET H 4.310 . 4.310 4.219 4.116 4.315 0.005 17 0 "[ . 1 . 2]" 1
1466 2 4 LEU HB2 2 4 LEU MD1 3.280 . 3.280 2.265 2.157 2.338 . 0 0 "[ . 1 . 2]" 1
1467 2 4 LEU MD2 2 7 ALA MB 3.230 . 3.230 2.945 2.700 3.541 0.311 15 0 "[ . 1 . 2]" 1
1468 2 4 LEU HG 2 7 ALA MB 4.080 . 4.080 3.876 3.849 3.912 . 0 0 "[ . 1 . 2]" 1
1469 2 5 GLU H 2 5 GLU QB . . 3.760 2.377 2.278 2.475 . 0 0 "[ . 1 . 2]" 1
1470 2 5 GLU H 2 5 GLU HG2 4.290 . 4.290 3.472 3.079 3.687 . 0 0 "[ . 1 . 2]" 1
1471 2 5 GLU H 2 5 GLU QG 3.740 . 3.740 2.214 2.015 2.381 . 0 0 "[ . 1 . 2]" 1
1472 2 5 GLU H 2 5 GLU HG3 4.290 . 4.290 2.240 2.039 2.412 . 0 0 "[ . 1 . 2]" 1
1473 2 5 GLU H 2 6 THR H 3.830 . 3.830 2.686 2.645 2.712 . 0 0 "[ . 1 . 2]" 1
1474 2 5 GLU H 2 7 ALA H 4.970 . 4.970 3.901 3.816 3.975 . 0 0 "[ . 1 . 2]" 1
1475 2 5 GLU QB 2 6 THR H . . 3.800 2.684 2.533 2.775 . 0 0 "[ . 1 . 2]" 1
1476 2 5 GLU QB 2 6 THR HB 5.050 . 5.050 5.529 5.359 5.624 0.574 11 8 "[*- *. ** 1+ **. 2]" 1
1477 2 5 GLU QB 2 6 THR MG 4.360 . 4.360 3.431 3.152 3.619 . 0 0 "[ . 1 . 2]" 1
1478 2 5 GLU QB 2 7 ALA H 5.500 . 5.500 4.555 4.508 4.602 . 0 0 "[ . 1 . 2]" 1
1479 2 5 GLU QG 2 6 THR H 5.080 . 5.080 4.154 3.973 4.304 . 0 0 "[ . 1 . 2]" 1
1480 2 6 THR H 2 6 THR HB 3.460 . 3.460 3.640 3.606 3.661 0.201 7 0 "[ . 1 . 2]" 1
1481 2 6 THR H 2 6 THR MG 3.680 . 3.680 2.553 2.313 2.646 . 0 0 "[ . 1 . 2]" 1
1482 2 6 THR H 2 9 GLU QB 5.500 . 5.500 5.069 4.853 5.233 . 0 0 "[ . 1 . 2]" 1
1483 2 6 THR HA 2 6 THR MG 3.210 . 3.210 2.214 2.157 2.307 . 0 0 "[ . 1 . 2]" 1
1484 2 6 THR HA 2 9 GLU H 4.110 . 4.110 2.962 2.890 3.027 . 0 0 "[ . 1 . 2]" 1
1485 2 6 THR HA 2 9 GLU QB 3.600 . 3.600 2.903 2.497 3.014 . 0 0 "[ . 1 . 2]" 1
1486 2 6 THR HA 2 9 GLU QG 4.830 . 4.830 2.231 2.063 2.615 . 0 0 "[ . 1 . 2]" 1
1487 2 6 THR MG 2 7 ALA H 3.430 . 3.430 4.128 3.996 4.191 0.761 10 20 [*********+*********-] 1
1488 2 7 ALA H 2 7 ALA MB 2.920 . 2.920 2.217 2.194 2.248 . 0 0 "[ . 1 . 2]" 1
1489 2 7 ALA H 2 8 MET HG2 5.150 . 5.150 4.525 4.439 4.673 . 0 0 "[ . 1 . 2]" 1
1490 2 7 ALA H 2 9 GLU H 4.800 . 4.800 4.034 3.985 4.098 . 0 0 "[ . 1 . 2]" 1
1491 2 7 ALA H 2 9 GLU QB 5.280 . 5.280 5.424 5.183 5.564 0.284 4 0 "[ . 1 . 2]" 1
1492 2 7 ALA HA 2 10 THR HB 4.940 . 4.940 3.276 3.196 3.498 . 0 0 "[ . 1 . 2]" 1
1493 2 7 ALA HA 2 10 THR MG 3.750 . 3.750 4.279 4.177 4.379 0.629 12 15 "[*** * * **+ **-****]" 1
1494 2 7 ALA HA 2 11 LEU MD2 4.510 . 4.510 4.075 4.001 4.193 . 0 0 "[ . 1 . 2]" 1
1495 2 7 ALA MB 2 8 MET H 3.400 . 3.400 2.442 2.389 2.492 . 0 0 "[ . 1 . 2]" 1
1496 2 7 ALA MB 2 8 MET ME 5.250 . 5.250 4.983 4.755 5.118 . 0 0 "[ . 1 . 2]" 1
1497 2 7 ALA MB 2 10 THR H 4.930 . 4.930 4.686 4.600 4.744 . 0 0 "[ . 1 . 2]" 1
1498 2 8 MET H 2 8 MET HB3 3.860 . 3.860 3.631 3.613 3.646 . 0 0 "[ . 1 . 2]" 1
1499 2 8 MET H 2 8 MET ME 4.730 . 4.730 4.690 4.558 4.733 0.003 7 0 "[ . 1 . 2]" 1
1500 2 8 MET H 2 8 MET HG2 3.680 . 3.680 2.329 2.274 2.421 . 0 0 "[ . 1 . 2]" 1
1501 2 8 MET H 2 9 GLU H 3.630 . 3.630 2.708 2.669 2.741 . 0 0 "[ . 1 . 2]" 1
1502 2 8 MET H 2 10 THR H 4.650 . 4.650 4.099 4.049 4.139 . 0 0 "[ . 1 . 2]" 1
1503 2 8 MET H 2 10 THR MG 4.950 . 4.950 6.420 6.368 6.484 1.534 12 20 [******-****+********] 1
1504 2 8 MET HA 2 8 MET ME 3.830 . 3.830 3.006 2.716 3.127 . 0 0 "[ . 1 . 2]" 1
1505 2 8 MET HA 2 11 LEU H 4.480 . 4.480 3.030 2.945 3.107 . 0 0 "[ . 1 . 2]" 1
1506 2 8 MET HA 2 11 LEU HB2 4.610 . 4.610 2.590 2.471 2.719 . 0 0 "[ . 1 . 2]" 1
1507 2 8 MET HA 2 11 LEU MD1 5.500 . 5.500 4.748 4.682 4.840 . 0 0 "[ . 1 . 2]" 1
1508 2 8 MET HA 2 11 LEU MD2 3.780 . 3.780 2.480 2.286 2.725 . 0 0 "[ . 1 . 2]" 1
1509 2 8 MET HB2 2 8 MET ME 3.690 . 3.690 3.610 3.570 3.682 . 0 0 "[ . 1 . 2]" 1
1510 2 8 MET HB2 2 9 GLU QB 4.670 . 4.670 4.196 4.127 4.249 . 0 0 "[ . 1 . 2]" 1
1511 2 8 MET HB3 2 8 MET ME 3.850 . 3.850 2.280 2.157 2.434 . 0 0 "[ . 1 . 2]" 1
1512 2 8 MET ME 2 11 LEU HB2 3.880 . 3.880 3.342 3.097 3.525 . 0 0 "[ . 1 . 2]" 1
1513 2 8 MET ME 2 11 LEU MD2 4.120 . 4.120 3.750 3.419 4.085 . 0 0 "[ . 1 . 2]" 1
1514 2 8 MET ME 2 12 ILE MD 4.810 . 4.810 4.652 4.299 4.874 0.064 16 0 "[ . 1 . 2]" 1
1515 2 8 MET ME 2 71 PHE HD2 4.920 . 4.920 4.441 4.295 4.599 . 0 0 "[ . 1 . 2]" 1
1516 2 8 MET ME 2 71 PHE HE2 3.420 . 3.420 2.466 2.287 2.629 . 0 0 "[ . 1 . 2]" 1
1517 2 8 MET ME 2 75 VAL QG . . 3.730 1.983 1.880 2.158 . 0 0 "[ . 1 . 2]" 1
1518 2 9 GLU H 2 9 GLU QB . . 3.190 2.276 2.142 2.337 . 0 0 "[ . 1 . 2]" 1
1519 2 9 GLU H 2 9 GLU QG 4.460 . 4.460 2.816 2.719 3.081 . 0 0 "[ . 1 . 2]" 1
1520 2 9 GLU H 2 10 THR H 3.580 . 3.580 2.546 2.493 2.575 . 0 0 "[ . 1 . 2]" 1
1521 2 9 GLU H 2 10 THR MG 4.600 . 4.600 5.839 5.782 5.866 1.266 19 20 [********-*********+*] 1
1522 2 9 GLU H 2 11 LEU H 4.840 . 4.840 4.148 4.098 4.206 . 0 0 "[ . 1 . 2]" 1
1523 2 9 GLU HA 2 12 ILE HB 4.570 . 4.570 2.693 2.358 2.822 . 0 0 "[ . 1 . 2]" 1
1524 2 9 GLU HA 2 12 ILE MD 3.870 . 3.870 2.347 2.176 2.472 . 0 0 "[ . 1 . 2]" 1
1525 2 9 GLU QB 2 10 THR H . . 3.540 3.602 3.451 3.653 0.113 15 0 "[ . 1 . 2]" 1
1526 2 9 GLU QB 2 10 THR MG . . 4.320 6.020 5.956 6.068 1.748 15 20 [********-*****+*****] 1
1527 2 9 GLU QB 2 13 ASN QD 5.500 . 5.500 4.077 3.899 4.289 . 0 0 "[ . 1 . 2]" 1
1528 2 9 GLU QG 2 10 THR H 5.030 . 5.030 2.595 2.508 2.679 . 0 0 "[ . 1 . 2]" 1
1529 2 9 GLU QG 2 10 THR HA 4.020 . 4.020 3.553 3.314 3.678 . 0 0 "[ . 1 . 2]" 1
1530 2 9 GLU QG 2 12 ILE MD 4.460 . 4.460 4.763 4.574 4.950 0.490 19 0 "[ . 1 . 2]" 1
1531 2 9 GLU QG 2 13 ASN QD 5.020 . 5.020 2.736 2.338 2.896 . 0 0 "[ . 1 . 2]" 1
1532 2 10 THR H 2 10 THR HB 3.770 . 3.770 2.607 2.568 2.666 . 0 0 "[ . 1 . 2]" 1
1533 2 10 THR H 2 10 THR MG 3.550 . 3.550 3.778 3.752 3.798 0.248 20 0 "[ . 1 . 2]" 1
1534 2 10 THR H 2 11 LEU MD2 5.150 . 5.150 4.103 4.040 4.169 . 0 0 "[ . 1 . 2]" 1
1535 2 10 THR H 2 13 ASN QD 5.110 . 5.110 4.216 4.020 4.306 . 0 0 "[ . 1 . 2]" 1
1536 2 10 THR HA 2 10 THR MG 3.090 . 3.090 2.359 2.328 2.390 . 0 0 "[ . 1 . 2]" 1
1537 2 10 THR HA 2 12 ILE H 4.550 . 4.550 4.257 4.143 4.351 . 0 0 "[ . 1 . 2]" 1
1538 2 10 THR HA 2 13 ASN H 3.680 . 3.680 3.367 3.253 3.473 . 0 0 "[ . 1 . 2]" 1
1539 2 10 THR HA 2 13 ASN HB2 3.750 . 3.750 2.916 2.802 3.050 . 0 0 "[ . 1 . 2]" 1
1540 2 10 THR HA 2 13 ASN HB3 4.770 . 4.770 4.515 4.384 4.637 . 0 0 "[ . 1 . 2]" 1
1541 2 10 THR HA 2 13 ASN QD 3.990 . 3.990 2.073 1.848 2.221 . 0 0 "[ . 1 . 2]" 1
1542 2 10 THR HB 2 11 LEU H 4.140 . 4.140 2.539 2.443 2.593 . 0 0 "[ . 1 . 2]" 1
1543 2 10 THR HB 2 11 LEU MD1 5.150 . 5.150 4.879 4.867 4.901 . 0 0 "[ . 1 . 2]" 1
1544 2 10 THR HB 2 14 VAL QG 4.390 . 4.390 4.616 4.448 4.837 0.447 5 0 "[ . 1 . 2]" 1
1545 2 10 THR MG 2 11 LEU H 3.940 . 3.940 3.569 3.506 3.613 . 0 0 "[ . 1 . 2]" 1
1546 2 10 THR MG 2 11 LEU MD2 3.940 . 3.940 3.333 3.248 3.379 . 0 0 "[ . 1 . 2]" 1
1547 2 11 LEU H 2 11 LEU HB2 3.620 . 3.620 2.319 2.274 2.351 . 0 0 "[ . 1 . 2]" 1
1548 2 11 LEU H 2 11 LEU HB3 3.680 . 3.680 3.579 3.550 3.600 . 0 0 "[ . 1 . 2]" 1
1549 2 11 LEU H 2 11 LEU MD1 4.780 . 4.780 3.962 3.919 4.015 . 0 0 "[ . 1 . 2]" 1
1550 2 11 LEU H 2 11 LEU MD2 3.690 . 3.690 2.348 2.295 2.395 . 0 0 "[ . 1 . 2]" 1
1551 2 11 LEU H 2 11 LEU HG 4.080 . 4.080 4.022 3.949 4.075 . 0 0 "[ . 1 . 2]" 1
1552 2 11 LEU H 2 12 ILE HG13 5.200 . 5.200 4.473 4.400 4.558 . 0 0 "[ . 1 . 2]" 1
1553 2 11 LEU H 2 71 PHE HE1 4.980 . 4.980 4.199 4.011 4.424 . 0 0 "[ . 1 . 2]" 1
1554 2 11 LEU HA 2 11 LEU MD1 3.210 . 3.210 2.221 2.175 2.287 . 0 0 "[ . 1 . 2]" 1
1555 2 11 LEU HA 2 11 LEU MD2 3.570 . 3.570 2.542 2.438 2.616 . 0 0 "[ . 1 . 2]" 1
1556 2 11 LEU HA 2 11 LEU HG 3.920 . 3.920 3.825 3.800 3.849 . 0 0 "[ . 1 . 2]" 1
1557 2 11 LEU HA 2 14 VAL H 4.160 . 4.160 3.631 3.518 3.727 . 0 0 "[ . 1 . 2]" 1
1558 2 11 LEU HA 2 14 VAL QG 3.310 . 3.310 2.951 2.059 3.568 0.258 12 0 "[ . 1 . 2]" 1
1559 2 11 LEU HA 2 78 VAL QG 5.500 . 5.500 4.863 4.816 4.901 . 0 0 "[ . 1 . 2]" 1
1560 2 11 LEU HB2 2 11 LEU MD2 3.570 . 3.570 2.423 2.373 2.501 . 0 0 "[ . 1 . 2]" 1
1561 2 11 LEU HB3 2 11 LEU MD2 3.600 . 3.600 3.160 3.119 3.194 . 0 0 "[ . 1 . 2]" 1
1562 2 11 LEU HB3 2 78 VAL QG 4.730 . 4.730 4.644 4.614 4.686 . 0 0 "[ . 1 . 2]" 1
1563 2 11 LEU MD1 2 14 VAL QG 4.190 . 4.190 3.400 2.811 3.876 . 0 0 "[ . 1 . 2]" 1
1564 2 11 LEU MD1 2 71 PHE HE1 4.570 . 4.570 4.115 3.947 4.240 . 0 0 "[ . 1 . 2]" 1
1565 2 11 LEU MD1 2 74 TYR HD2 4.890 . 4.890 4.010 3.834 4.137 . 0 0 "[ . 1 . 2]" 1
1566 2 11 LEU MD1 2 74 TYR HE2 3.850 . 3.850 2.350 2.312 2.396 . 0 0 "[ . 1 . 2]" 1
1567 2 11 LEU MD1 2 75 VAL QG . . 3.620 2.313 2.136 2.474 . 0 0 "[ . 1 . 2]" 1
1568 2 11 LEU MD2 2 12 ILE H 4.970 . 4.970 4.267 4.197 4.314 . 0 0 "[ . 1 . 2]" 1
1569 2 11 LEU MD2 2 71 PHE HE1 4.530 . 4.530 4.492 4.376 4.573 0.043 5 0 "[ . 1 . 2]" 1
1570 2 11 LEU MD2 2 74 TYR HE2 4.640 . 4.640 4.427 4.404 4.469 . 0 0 "[ . 1 . 2]" 1
1571 2 11 LEU MD2 2 75 VAL QG 4.300 . 4.300 3.525 3.388 3.713 . 0 0 "[ . 1 . 2]" 1
1572 2 11 LEU HG 2 78 VAL QG 3.790 . 3.790 3.988 3.907 4.047 0.257 5 0 "[ . 1 . 2]" 1
1573 2 12 ILE H 2 12 ILE HB 3.330 . 3.330 2.551 2.487 2.588 . 0 0 "[ . 1 . 2]" 1
1574 2 12 ILE H 2 12 ILE MD 3.850 . 3.850 3.666 3.611 3.755 . 0 0 "[ . 1 . 2]" 1
1575 2 12 ILE H 2 12 ILE HG13 4.070 . 4.070 2.284 2.219 2.362 . 0 0 "[ . 1 . 2]" 1
1576 2 12 ILE H 2 12 ILE MG 4.020 . 4.020 3.855 3.832 3.871 . 0 0 "[ . 1 . 2]" 1
1577 2 12 ILE H 2 13 ASN H 3.990 . 3.990 2.709 2.633 2.758 . 0 0 "[ . 1 . 2]" 1
1578 2 12 ILE H 2 14 VAL QG 4.820 . 4.820 4.886 4.365 5.284 0.464 12 0 "[ . 1 . 2]" 1
1579 2 12 ILE H 2 71 PHE HE1 4.390 . 4.390 2.716 2.559 2.931 . 0 0 "[ . 1 . 2]" 1
1580 2 12 ILE HA 2 12 ILE MD 4.480 . 4.480 3.882 3.852 3.917 . 0 0 "[ . 1 . 2]" 1
1581 2 12 ILE HA 2 14 VAL H 5.010 . 5.010 4.648 4.506 4.753 . 0 0 "[ . 1 . 2]" 1
1582 2 12 ILE HA 2 15 PHE H 3.590 . 3.590 3.579 3.486 3.718 0.128 7 0 "[ . 1 . 2]" 1
1583 2 12 ILE HA 2 16 HIS H 4.470 . 4.470 3.877 3.766 4.026 . 0 0 "[ . 1 . 2]" 1
1584 2 12 ILE HA 2 71 PHE HD1 4.600 . 4.600 2.437 2.275 2.596 . 0 0 "[ . 1 . 2]" 1
1585 2 12 ILE HA 2 71 PHE HE1 4.220 . 4.220 2.686 2.494 2.853 . 0 0 "[ . 1 . 2]" 1
1586 2 12 ILE HB 2 13 ASN H 3.570 . 3.570 2.602 2.510 2.666 . 0 0 "[ . 1 . 2]" 1
1587 2 12 ILE HB 2 14 VAL H 5.500 . 5.500 5.201 5.083 5.275 . 0 0 "[ . 1 . 2]" 1
1588 2 12 ILE MD 2 12 ILE MG 3.360 . 3.360 2.115 2.099 2.136 . 0 0 "[ . 1 . 2]" 1
1589 2 12 ILE MD 2 13 ASN H 4.340 . 4.340 4.615 4.502 4.691 0.351 18 0 "[ . 1 . 2]" 1
1590 2 12 ILE MD 2 13 ASN QD 4.730 . 4.730 5.579 5.268 5.753 1.023 19 20 [******-***********+*] 1
1591 2 12 ILE HG12 2 71 PHE HE1 4.530 . 4.530 2.998 2.916 3.131 . 0 0 "[ . 1 . 2]" 1
1592 2 12 ILE HG13 2 13 ASN H 5.050 . 5.050 4.335 4.248 4.407 . 0 0 "[ . 1 . 2]" 1
1593 2 12 ILE MG 2 13 ASN H 3.910 . 3.910 3.366 3.283 3.428 . 0 0 "[ . 1 . 2]" 1
1594 2 12 ILE MG 2 15 PHE H 5.180 . 5.180 4.843 4.772 4.954 . 0 0 "[ . 1 . 2]" 1
1595 2 12 ILE MG 2 16 HIS H 5.110 . 5.110 3.903 3.774 4.066 . 0 0 "[ . 1 . 2]" 1
1596 2 12 ILE MG 2 16 HIS HB2 4.540 . 4.540 3.120 2.901 3.507 . 0 0 "[ . 1 . 2]" 1
1597 2 12 ILE MG 2 16 HIS QB 3.910 . 3.910 3.016 2.805 3.401 . 0 0 "[ . 1 . 2]" 1
1598 2 12 ILE MG 2 16 HIS HB3 4.540 . 4.540 4.012 3.640 4.582 0.042 5 0 "[ . 1 . 2]" 1
1599 2 12 ILE MG 2 71 PHE HE1 4.310 . 4.310 4.341 4.256 4.404 0.094 12 0 "[ . 1 . 2]" 1
1600 2 13 ASN H 2 13 ASN HB2 3.660 . 3.660 2.520 2.462 2.570 . 0 0 "[ . 1 . 2]" 1
1601 2 13 ASN H 2 13 ASN HB3 3.760 . 3.760 3.623 3.589 3.644 . 0 0 "[ . 1 . 2]" 1
1602 2 13 ASN H 2 13 ASN QD . . 4.500 3.194 2.899 3.320 . 0 0 "[ . 1 . 2]" 1
1603 2 13 ASN H 2 14 VAL H 3.910 . 3.910 2.802 2.742 2.857 . 0 0 "[ . 1 . 2]" 1
1604 2 13 ASN H 2 14 VAL HB 5.500 . 5.500 4.981 4.794 5.200 . 0 0 "[ . 1 . 2]" 1
1605 2 13 ASN H 2 14 VAL QG 4.330 . 4.330 4.234 4.192 4.353 0.023 12 0 "[ . 1 . 2]" 1
1606 2 13 ASN H 2 15 PHE H 4.850 . 4.850 4.297 4.234 4.370 . 0 0 "[ . 1 . 2]" 1
1607 2 13 ASN HA 2 16 HIS H 4.630 . 4.630 3.705 3.582 3.935 . 0 0 "[ . 1 . 2]" 1
1608 2 13 ASN HA 2 17 ALA H 4.270 . 4.270 4.509 4.237 4.761 0.491 9 0 "[ . 1 . 2]" 1
1609 2 13 ASN HA 2 17 ALA MB 4.430 . 4.430 4.883 4.552 5.197 0.767 9 9 "[**- * * +1 * * *2]" 1
1610 2 13 ASN HB2 2 14 VAL H 3.700 . 3.700 2.366 2.281 2.535 . 0 0 "[ . 1 . 2]" 1
1611 2 13 ASN HB2 2 14 VAL HA 4.380 . 4.380 4.219 4.135 4.330 . 0 0 "[ . 1 . 2]" 1
1612 2 13 ASN HB2 2 14 VAL HB 5.070 . 5.070 4.400 3.710 4.740 . 0 0 "[ . 1 . 2]" 1
1613 2 13 ASN HB2 2 14 VAL QG 4.140 . 4.140 3.334 2.968 4.088 . 0 0 "[ . 1 . 2]" 1
1614 2 13 ASN HB3 2 14 VAL H 3.820 . 3.820 3.423 3.299 3.543 . 0 0 "[ . 1 . 2]" 1
1615 2 13 ASN HB3 2 14 VAL QG 5.090 . 5.090 4.142 3.774 4.703 . 0 0 "[ . 1 . 2]" 1
1616 2 13 ASN QD 2 14 VAL H 5.500 . 5.500 4.189 3.988 4.421 . 0 0 "[ . 1 . 2]" 1
1617 2 13 ASN QD 2 14 VAL QG 5.190 . 5.190 4.499 4.136 5.179 . 0 0 "[ . 1 . 2]" 1
1618 2 14 VAL H 2 14 VAL HB 3.090 . 3.090 2.448 2.305 2.591 . 0 0 "[ . 1 . 2]" 1
1619 2 14 VAL H 2 14 VAL QG 2.810 . 2.810 2.220 2.102 2.354 . 0 0 "[ . 1 . 2]" 1
1620 2 14 VAL H 2 15 PHE H 3.620 . 3.620 2.794 2.688 2.863 . 0 0 "[ . 1 . 2]" 1
1621 2 14 VAL H 2 17 ALA H 4.780 . 4.780 4.847 4.746 4.897 0.117 9 0 "[ . 1 . 2]" 1
1622 2 14 VAL HA 2 14 VAL MG1 3.310 . 3.310 2.647 2.377 3.217 . 0 0 "[ . 1 . 2]" 1
1623 2 14 VAL HA 2 14 VAL QG 2.880 . 2.880 2.144 2.086 2.215 . 0 0 "[ . 1 . 2]" 1
1624 2 14 VAL HA 2 14 VAL MG2 3.310 . 3.310 2.322 2.206 2.380 . 0 0 "[ . 1 . 2]" 1
1625 2 14 VAL HA 2 17 ALA MB 3.260 . 3.260 2.747 2.425 2.882 . 0 0 "[ . 1 . 2]" 1
1626 2 14 VAL HB 2 15 PHE H 4.160 . 4.160 3.085 2.591 4.120 . 0 0 "[ . 1 . 2]" 1
1627 2 14 VAL QG 2 15 PHE H 3.660 . 3.660 2.910 2.269 3.199 . 0 0 "[ . 1 . 2]" 1
1628 2 14 VAL QG 2 15 PHE HA 4.740 . 4.740 3.383 3.253 3.456 . 0 0 "[ . 1 . 2]" 1
1629 2 14 VAL QG 2 15 PHE HB2 5.080 . 5.080 4.073 3.536 4.341 . 0 0 "[ . 1 . 2]" 1
1630 2 14 VAL QG 2 17 ALA H 4.720 . 4.720 4.224 3.975 4.409 . 0 0 "[ . 1 . 2]" 1
1631 2 14 VAL QG 2 17 ALA MB 3.380 . 3.380 3.292 2.886 3.487 0.107 10 0 "[ . 1 . 2]" 1
1632 2 14 VAL QG 2 18 HIS H 5.440 . 5.440 4.668 4.280 4.827 . 0 0 "[ . 1 . 2]" 1
1633 2 14 VAL QG 2 18 HIS HD2 4.180 . 4.180 3.487 2.957 4.103 . 0 0 "[ . 1 . 2]" 1
1634 2 14 VAL QG 2 36 LEU QD 2.920 . 2.920 2.119 1.958 2.463 . 0 0 "[ . 1 . 2]" 1
1635 2 14 VAL QG 2 40 GLU QG 3.740 . 3.740 2.151 2.028 2.282 . 0 0 "[ . 1 . 2]" 1
1636 2 14 VAL QG 2 74 TYR HD1 5.440 . 5.440 5.246 5.139 5.366 . 0 0 "[ . 1 . 2]" 1
1637 2 14 VAL QG 2 74 TYR HE1 4.240 . 4.240 3.441 3.297 3.649 . 0 0 "[ . 1 . 2]" 1
1638 2 14 VAL QG 2 74 TYR HE2 4.480 . 4.480 4.249 3.597 4.564 0.084 16 0 "[ . 1 . 2]" 1
1639 2 14 VAL MG1 2 15 PHE H 4.590 . 4.590 3.024 2.283 3.380 . 0 0 "[ . 1 . 2]" 1
1640 2 14 VAL MG1 2 15 PHE HA 5.500 . 5.500 3.453 3.277 3.584 . 0 0 "[ . 1 . 2]" 1
1641 2 14 VAL MG1 2 17 ALA H 5.500 . 5.500 4.636 4.289 4.962 . 0 0 "[ . 1 . 2]" 1
1642 2 14 VAL MG2 2 15 PHE H 4.590 . 4.590 3.990 3.933 4.087 . 0 0 "[ . 1 . 2]" 1
1643 2 14 VAL MG2 2 15 PHE HA 5.500 . 5.500 5.140 4.202 5.536 0.036 9 0 "[ . 1 . 2]" 1
1644 2 14 VAL MG2 2 17 ALA H 5.500 . 5.500 4.993 4.250 5.344 . 0 0 "[ . 1 . 2]" 1
1645 2 15 PHE H 2 15 PHE HB2 3.570 . 3.570 2.567 2.528 2.599 . 0 0 "[ . 1 . 2]" 1
1646 2 15 PHE H 2 15 PHE HB3 3.790 . 3.790 2.457 2.338 2.509 . 0 0 "[ . 1 . 2]" 1
1647 2 15 PHE H 2 16 HIS H 3.890 . 3.890 2.690 2.616 2.807 . 0 0 "[ . 1 . 2]" 1
1648 2 15 PHE H 2 17 ALA H 4.730 . 4.730 4.078 3.986 4.140 . 0 0 "[ . 1 . 2]" 1
1649 2 15 PHE H 2 36 LEU QD 5.170 . 5.170 3.837 3.712 4.005 . 0 0 "[ . 1 . 2]" 1
1650 2 15 PHE H 2 74 TYR HD2 5.500 . 5.500 5.481 5.394 5.520 0.020 5 0 "[ . 1 . 2]" 1
1651 2 15 PHE HA 2 36 LEU QD 3.990 . 3.990 2.120 1.952 2.314 . 0 0 "[ . 1 . 2]" 1
1652 2 15 PHE HA 2 74 TYR HD1 5.130 . 5.130 4.889 4.883 4.905 . 0 0 "[ . 1 . 2]" 1
1653 2 15 PHE HA 2 74 TYR HD2 5.500 . 5.500 5.293 5.169 5.403 . 0 0 "[ . 1 . 2]" 1
1654 2 15 PHE HB2 2 74 TYR HD2 4.650 . 4.650 3.231 3.123 3.317 . 0 0 "[ . 1 . 2]" 1
1655 2 15 PHE HB3 2 16 HIS H 4.590 . 4.590 2.432 2.309 2.535 . 0 0 "[ . 1 . 2]" 1
1656 2 15 PHE HB3 2 74 TYR HE2 4.790 . 4.790 4.008 3.831 4.130 . 0 0 "[ . 1 . 2]" 1
1657 2 15 PHE HD2 2 16 HIS H 4.630 . 4.630 3.312 3.159 3.418 . 0 0 "[ . 1 . 2]" 1
1658 2 15 PHE HD2 2 17 ALA H 5.500 . 5.500 5.504 5.491 5.517 0.017 16 0 "[ . 1 . 2]" 1
1659 2 15 PHE HE1 2 71 PHE H 5.460 . 5.460 5.133 4.885 5.363 . 0 0 "[ . 1 . 2]" 1
1660 2 15 PHE HE1 2 71 PHE HA 4.860 . 4.860 4.218 3.921 4.471 . 0 0 "[ . 1 . 2]" 1
1661 2 15 PHE HE2 2 71 PHE H 5.500 . 5.500 3.743 3.236 4.189 . 0 0 "[ . 1 . 2]" 1
1662 2 15 PHE HZ 2 27 LYS HA 4.420 . 4.420 2.559 2.347 2.898 . 0 0 "[ . 1 . 2]" 1
1663 2 15 PHE HZ 2 28 LEU H 4.260 . 4.260 2.716 2.497 3.087 . 0 0 "[ . 1 . 2]" 1
1664 2 15 PHE HZ 2 28 LEU QD 5.120 . 5.120 4.151 3.858 4.375 . 0 0 "[ . 1 . 2]" 1
1665 2 15 PHE HZ 2 69 VAL QG 4.080 . 4.080 3.293 2.903 3.885 . 0 0 "[ . 1 . 2]" 1
1666 2 15 PHE HZ 2 70 ASP H 5.170 . 5.170 4.483 4.207 4.739 . 0 0 "[ . 1 . 2]" 1
1667 2 15 PHE HZ 2 70 ASP HA 4.350 . 4.350 2.342 2.066 2.646 . 0 0 "[ . 1 . 2]" 1
1668 2 15 PHE HZ 2 70 ASP QB 4.650 . 4.650 4.180 3.910 4.470 . 0 0 "[ . 1 . 2]" 1
1669 2 15 PHE HZ 2 71 PHE H 5.500 . 5.500 3.971 3.704 4.259 . 0 0 "[ . 1 . 2]" 1
1670 2 15 PHE HZ 2 71 PHE HA 5.350 . 5.350 4.492 4.051 4.725 . 0 0 "[ . 1 . 2]" 1
1671 2 16 HIS H 2 16 HIS HB2 3.860 . 3.860 2.359 2.228 2.507 . 0 0 "[ . 1 . 2]" 1
1672 2 16 HIS H 2 16 HIS QB 3.300 . 3.300 2.197 2.146 2.284 . 0 0 "[ . 1 . 2]" 1
1673 2 16 HIS H 2 16 HIS HB3 3.860 . 3.860 2.748 2.371 3.569 . 0 0 "[ . 1 . 2]" 1
1674 2 16 HIS H 2 17 ALA H 3.560 . 3.560 2.718 2.662 2.785 . 0 0 "[ . 1 . 2]" 1
1675 2 16 HIS H 2 17 ALA MB 4.890 . 4.890 4.389 4.336 4.460 . 0 0 "[ . 1 . 2]" 1
1676 2 16 HIS H 2 18 HIS H 5.070 . 5.070 4.602 4.481 4.749 . 0 0 "[ . 1 . 2]" 1
1677 2 16 HIS HA 2 16 HIS HD2 4.320 . 4.320 3.416 2.503 4.297 . 0 0 "[ . 1 . 2]" 1
1678 2 16 HIS QB 2 17 ALA H 3.620 . 3.620 3.026 2.824 3.261 . 0 0 "[ . 1 . 2]" 1
1679 2 16 HIS QB 2 17 ALA MB 4.810 . 4.810 4.187 4.063 4.388 . 0 0 "[ . 1 . 2]" 1
1680 2 16 HIS HB2 2 17 ALA H 4.270 . 4.270 3.971 3.330 4.201 . 0 0 "[ . 1 . 2]" 1
1681 2 16 HIS HB3 2 17 ALA H 4.270 . 4.270 3.220 2.882 4.049 . 0 0 "[ . 1 . 2]" 1
1682 2 17 ALA H 2 17 ALA MB 2.760 . 2.760 2.240 2.223 2.266 . 0 0 "[ . 1 . 2]" 1
1683 2 17 ALA H 2 18 HIS H 3.370 . 3.370 2.727 2.605 2.890 . 0 0 "[ . 1 . 2]" 1
1684 2 17 ALA H 2 36 LEU QD 5.010 . 5.010 4.380 4.012 4.728 . 0 0 "[ . 1 . 2]" 1
1685 2 17 ALA MB 2 18 HIS H 3.460 . 3.460 2.585 2.383 2.862 . 0 0 "[ . 1 . 2]" 1
1686 2 17 ALA MB 2 18 HIS HA 4.920 . 4.920 3.983 3.910 4.135 . 0 0 "[ . 1 . 2]" 1
1687 2 17 ALA MB 2 18 HIS HD2 3.520 . 3.520 2.286 2.061 2.549 . 0 0 "[ . 1 . 2]" 1
1688 2 17 ALA MB 2 36 LEU QD 4.920 . 4.920 3.850 3.455 4.196 . 0 0 "[ . 1 . 2]" 1
1689 2 18 HIS H 2 18 HIS QB 3.640 . 3.640 2.399 2.317 2.526 . 0 0 "[ . 1 . 2]" 1
1690 2 18 HIS H 2 18 HIS HD2 4.400 . 4.400 2.565 2.424 2.815 . 0 0 "[ . 1 . 2]" 1
1691 2 18 HIS H 2 36 LEU QD 3.700 . 3.700 3.274 3.108 3.517 . 0 0 "[ . 1 . 2]" 1
1692 2 18 HIS H 2 36 LEU HG 5.500 . 5.500 4.897 4.475 5.302 . 0 0 "[ . 1 . 2]" 1
1693 2 18 HIS HA 2 18 HIS HD2 4.980 . 4.980 3.850 3.531 3.967 . 0 0 "[ . 1 . 2]" 1
1694 2 18 HIS HA 2 36 LEU QD 4.480 . 4.480 4.626 4.524 4.692 0.212 18 0 "[ . 1 . 2]" 1
1695 2 18 HIS QB 2 28 LEU QD 4.090 . 4.090 2.100 1.962 2.269 . 0 0 "[ . 1 . 2]" 1
1696 2 18 HIS QB 2 36 LEU QD 3.880 . 3.880 2.106 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
1697 2 18 HIS HD2 2 36 LEU MD1 4.940 . 4.940 2.782 2.377 3.173 . 0 0 "[ . 1 . 2]" 1
1698 2 18 HIS HD2 2 36 LEU QD 3.780 . 3.780 2.745 2.367 3.072 . 0 0 "[ . 1 . 2]" 1
1699 2 18 HIS HD2 2 36 LEU MD2 4.940 . 4.940 4.317 4.063 4.553 . 0 0 "[ . 1 . 2]" 1
1700 2 18 HIS HD2 2 36 LEU HG 4.960 . 4.960 2.925 2.659 3.247 . 0 0 "[ . 1 . 2]" 1
1701 2 19 SER HA 2 28 LEU HA 4.860 . 4.860 2.963 2.737 3.315 . 0 0 "[ . 1 . 2]" 1
1702 2 19 SER HA 2 28 LEU QD 3.560 . 3.560 2.187 1.884 2.853 . 0 0 "[ . 1 . 2]" 1
1703 2 19 SER QB 2 28 LEU QD 4.180 . 4.180 3.464 2.940 4.185 0.005 6 0 "[ . 1 . 2]" 1
1704 2 20 GLY H 2 21 LYS H 3.850 . 3.850 2.471 2.132 2.657 . 0 0 "[ . 1 . 2]" 1
1705 2 20 GLY H 2 21 LYS QB 4.710 . 4.710 4.376 4.012 4.609 . 0 0 "[ . 1 . 2]" 1
1706 2 20 GLY H 2 22 GLU H 4.770 . 4.770 3.551 3.069 3.927 . 0 0 "[ . 1 . 2]" 1
1707 2 20 GLY H 2 28 LEU HA 5.070 . 5.070 3.060 2.930 3.218 . 0 0 "[ . 1 . 2]" 1
1708 2 20 GLY H 2 28 LEU HB3 5.500 . 5.500 5.357 4.987 5.509 0.009 10 0 "[ . 1 . 2]" 1
1709 2 20 GLY H 2 28 LEU QD 5.400 . 5.400 3.384 2.971 3.870 . 0 0 "[ . 1 . 2]" 1
1710 2 21 LYS H 2 21 LYS QG 4.700 . 4.700 2.738 2.108 4.008 . 0 0 "[ . 1 . 2]" 1
1711 2 21 LYS H 2 22 GLU H 5.040 . 5.040 2.551 2.290 2.771 . 0 0 "[ . 1 . 2]" 1
1712 2 21 LYS HA 2 21 LYS QD 4.130 . 4.130 2.818 2.272 3.213 . 0 0 "[ . 1 . 2]" 1
1713 2 21 LYS HA 2 21 LYS QE 4.400 . 4.400 4.326 3.977 4.436 0.036 16 0 "[ . 1 . 2]" 1
1714 2 21 LYS HA 2 21 LYS QG 3.290 . 3.290 2.574 2.026 3.142 . 0 0 "[ . 1 . 2]" 1
1715 2 21 LYS QB 2 21 LYS QE 4.010 . 4.010 3.301 2.263 3.637 . 0 0 "[ . 1 . 2]" 1
1716 2 21 LYS QB 2 22 GLU H 4.640 . 4.640 2.666 2.434 3.242 . 0 0 "[ . 1 . 2]" 1
1717 2 21 LYS QB 2 32 GLU QB 3.980 . 3.980 3.314 2.843 3.729 . 0 0 "[ . 1 . 2]" 1
1718 2 21 LYS QD 2 21 LYS QG 2.400 . 2.400 2.086 2.041 2.112 . 0 0 "[ . 1 . 2]" 1
1719 2 21 LYS QD 2 32 GLU QB 4.240 . 4.240 3.469 2.223 4.418 0.178 20 0 "[ . 1 . 2]" 1
1720 2 21 LYS QD 2 32 GLU HG2 5.000 . 5.000 4.625 3.564 5.873 0.873 18 7 "[ **.** 1 -*. + 2]" 1
1721 2 21 LYS QD 2 32 GLU HG3 4.220 . 4.220 3.223 2.308 4.472 0.252 7 0 "[ . 1 . 2]" 1
1722 2 21 LYS QE 2 21 LYS HG2 3.640 . 3.640 2.660 2.132 3.532 . 0 0 "[ . 1 . 2]" 1
1723 2 21 LYS QE 2 21 LYS QG 3.070 . 3.070 2.170 1.970 2.531 . 0 0 "[ . 1 . 2]" 1
1724 2 21 LYS QE 2 21 LYS HG3 3.640 . 3.640 2.444 2.064 3.491 . 0 0 "[ . 1 . 2]" 1
1725 2 21 LYS QE 2 32 GLU HG2 5.500 . 5.500 4.732 4.081 4.830 . 0 0 "[ . 1 . 2]" 1
1726 2 21 LYS HG2 2 32 GLU QB 4.560 . 4.560 3.817 2.937 5.258 0.698 20 1 "[ . 1 . +]" 1
1727 2 21 LYS HG3 2 32 GLU QB 4.560 . 4.560 3.220 2.146 5.304 0.744 5 2 "[ + 1 . - 2]" 1
1728 2 22 GLU H 2 22 GLU QG 4.170 . 4.170 3.361 2.177 4.081 . 0 0 "[ . 1 . 2]" 1
1729 2 22 GLU H 2 23 GLY H 4.410 . 4.410 2.564 2.311 3.221 . 0 0 "[ . 1 . 2]" 1
1730 2 22 GLU HA 2 22 GLU QG 3.140 . 3.140 2.839 2.132 3.294 0.154 16 0 "[ . 1 . 2]" 1
1731 2 22 GLU HA 2 23 GLY H 3.490 . 3.490 3.305 2.694 3.496 0.006 4 0 "[ . 1 . 2]" 1
1732 2 22 GLU HA 2 31 LYS QE 4.920 . 4.920 6.088 5.183 7.293 2.373 1 18 "[+***- * ************]" 1
1733 2 22 GLU QB 2 23 GLY H 4.300 . 4.300 3.379 2.736 3.914 . 0 0 "[ . 1 . 2]" 1
1734 2 22 GLU QG 2 23 GLY H 4.270 . 4.270 3.491 2.429 4.114 . 0 0 "[ . 1 . 2]" 1
1735 2 22 GLU QG 2 23 GLY HA3 4.240 . 4.240 4.014 3.992 4.096 . 0 0 "[ . 1 . 2]" 1
1736 2 22 GLU QG 2 24 ASP H 4.760 . 4.760 2.987 1.891 4.361 . 0 0 "[ . 1 . 2]" 1
1737 2 23 GLY HA2 2 24 ASP H 3.560 . 3.560 3.547 3.401 3.570 0.010 4 0 "[ . 1 . 2]" 1
1738 2 24 ASP H 2 24 ASP QB 3.230 . 3.230 2.368 2.284 2.531 . 0 0 "[ . 1 . 2]" 1
1739 2 24 ASP H 2 25 LYS H 4.800 . 4.800 4.478 4.359 4.602 . 0 0 "[ . 1 . 2]" 1
1740 2 24 ASP HA 2 27 LYS QB 4.700 . 4.700 4.806 4.628 5.084 0.384 9 0 "[ . 1 . 2]" 1
1741 2 24 ASP QB 2 27 LYS HG3 5.030 . 5.030 2.672 2.292 3.302 . 0 0 "[ . 1 . 2]" 1
1742 2 24 ASP HB2 2 27 LYS QB 4.360 . 4.360 3.842 3.336 4.141 . 0 0 "[ . 1 . 2]" 1
1743 2 24 ASP HB3 2 27 LYS QB 4.360 . 4.360 2.236 2.014 2.496 . 0 0 "[ . 1 . 2]" 1
1744 2 25 LYS H 2 25 LYS QG 4.080 . 4.080 3.556 2.119 4.087 0.007 16 0 "[ . 1 . 2]" 1
1745 2 25 LYS H 2 27 LYS H 5.190 . 5.190 4.083 3.798 4.260 . 0 0 "[ . 1 . 2]" 1
1746 2 25 LYS H 2 27 LYS HG2 5.310 . 5.310 5.060 5.045 5.082 . 0 0 "[ . 1 . 2]" 1
1747 2 25 LYS QB 2 25 LYS QD 3.280 . 3.280 2.343 2.112 2.476 . 0 0 "[ . 1 . 2]" 1
1748 2 25 LYS QD 2 26 TYR H 5.340 . 5.340 4.627 2.520 5.351 0.011 1 0 "[ . 1 . 2]" 1
1749 2 25 LYS QE 2 25 LYS QG 3.270 . 3.270 2.223 2.089 2.357 . 0 0 "[ . 1 . 2]" 1
1750 2 25 LYS QG 2 26 TYR H 4.670 . 4.670 4.406 3.970 4.753 0.083 5 0 "[ . 1 . 2]" 1
1751 2 26 TYR H 2 26 TYR HB2 3.790 . 3.790 2.449 2.244 2.647 . 0 0 "[ . 1 . 2]" 1
1752 2 26 TYR H 2 26 TYR QB 3.250 . 3.250 2.413 2.219 2.598 . 0 0 "[ . 1 . 2]" 1
1753 2 26 TYR H 2 26 TYR HB3 3.790 . 3.790 3.655 3.515 3.775 . 0 0 "[ . 1 . 2]" 1
1754 2 26 TYR H 2 26 TYR HD1 3.730 . 3.730 3.294 2.731 3.740 0.010 17 0 "[ . 1 . 2]" 1
1755 2 26 TYR H 2 26 TYR HE1 5.500 . 5.500 5.313 5.117 5.396 . 0 0 "[ . 1 . 2]" 1
1756 2 26 TYR H 2 27 LYS H 3.290 . 3.290 2.397 2.250 2.535 . 0 0 "[ . 1 . 2]" 1
1757 2 26 TYR H 2 27 LYS HG2 3.980 . 3.980 3.365 3.276 3.517 . 0 0 "[ . 1 . 2]" 1
1758 2 26 TYR H 2 27 LYS HG3 5.500 . 5.500 4.949 4.644 5.071 . 0 0 "[ . 1 . 2]" 1
1759 2 26 TYR HA 2 26 TYR HD1 3.760 . 3.760 2.380 1.960 2.861 . 0 0 "[ . 1 . 2]" 1
1760 2 26 TYR HA 2 26 TYR HE1 4.680 . 4.680 4.610 4.440 4.696 0.016 5 0 "[ . 1 . 2]" 1
1761 2 26 TYR HD1 2 27 LYS H 5.040 . 5.040 4.700 4.544 4.964 . 0 0 "[ . 1 . 2]" 1
1762 2 27 LYS H 2 27 LYS QD 4.250 . 4.250 3.876 3.550 4.179 . 0 0 "[ . 1 . 2]" 1
1763 2 27 LYS H 2 27 LYS HG3 4.260 . 4.260 4.136 3.904 4.264 0.004 6 0 "[ . 1 . 2]" 1
1764 2 27 LYS H 2 28 LEU H 4.860 . 4.860 4.478 4.434 4.647 . 0 0 "[ . 1 . 2]" 1
1765 2 27 LYS HA 2 27 LYS HD2 4.140 . 4.140 2.335 2.128 2.837 . 0 0 "[ . 1 . 2]" 1
1766 2 27 LYS HA 2 27 LYS QD 3.610 . 3.610 2.205 2.113 2.301 . 0 0 "[ . 1 . 2]" 1
1767 2 27 LYS HA 2 27 LYS HD3 4.140 . 4.140 3.382 2.180 3.888 . 0 0 "[ . 1 . 2]" 1
1768 2 27 LYS HA 2 27 LYS HE2 4.830 . 4.830 3.903 2.890 4.815 . 0 0 "[ . 1 . 2]" 1
1769 2 27 LYS HA 2 27 LYS QE 4.220 . 4.220 3.621 2.825 4.232 0.012 7 0 "[ . 1 . 2]" 1
1770 2 27 LYS HA 2 27 LYS HE3 4.830 . 4.830 4.419 3.930 4.832 0.002 18 0 "[ . 1 . 2]" 1
1771 2 27 LYS HA 2 27 LYS HG2 4.130 . 4.130 3.209 3.040 3.304 . 0 0 "[ . 1 . 2]" 1
1772 2 27 LYS HA 2 69 VAL H 4.810 . 4.810 4.606 4.378 5.000 0.190 20 0 "[ . 1 . 2]" 1
1773 2 27 LYS QD 2 28 LEU H 4.220 . 4.220 3.805 3.421 3.975 . 0 0 "[ . 1 . 2]" 1
1774 2 27 LYS QD 2 70 ASP HA 4.440 . 4.440 2.797 2.491 3.223 . 0 0 "[ . 1 . 2]" 1
1775 2 27 LYS QD 2 70 ASP QB 3.750 . 3.750 2.644 2.394 2.951 . 0 0 "[ . 1 . 2]" 1
1776 2 27 LYS QE 2 70 ASP QB 3.450 . 3.450 2.568 2.087 3.355 . 0 0 "[ . 1 . 2]" 1
1777 2 27 LYS HE2 2 27 LYS HG3 4.080 . 4.080 3.272 2.358 3.637 . 0 0 "[ . 1 . 2]" 1
1778 2 27 LYS HE3 2 27 LYS HG3 4.080 . 4.080 3.249 2.334 3.788 . 0 0 "[ . 1 . 2]" 1
1779 2 27 LYS HG3 2 28 LEU H 5.230 . 5.230 4.972 4.793 5.116 . 0 0 "[ . 1 . 2]" 1
1780 2 28 LEU H 2 28 LEU HB2 3.630 . 3.630 3.138 2.832 3.369 . 0 0 "[ . 1 . 2]" 1
1781 2 28 LEU H 2 28 LEU HB3 3.390 . 3.390 2.841 2.662 3.083 . 0 0 "[ . 1 . 2]" 1
1782 2 28 LEU H 2 28 LEU QD 4.170 . 4.170 3.994 3.908 4.060 . 0 0 "[ . 1 . 2]" 1
1783 2 28 LEU H 2 68 GLU QG 4.830 . 4.830 5.000 3.519 5.475 0.645 11 5 "[-* *. 1+ * . 2]" 1
1784 2 28 LEU H 2 69 VAL H 3.600 . 3.600 2.778 2.621 3.027 . 0 0 "[ . 1 . 2]" 1
1785 2 28 LEU H 2 69 VAL HA 5.420 . 5.420 4.883 4.775 5.163 . 0 0 "[ . 1 . 2]" 1
1786 2 28 LEU H 2 69 VAL QG 3.980 . 3.980 3.050 2.808 3.415 . 0 0 "[ . 1 . 2]" 1
1787 2 28 LEU H 2 70 ASP QB 5.340 . 5.340 5.026 4.938 5.055 . 0 0 "[ . 1 . 2]" 1
1788 2 28 LEU HA 2 28 LEU MD1 4.120 . 4.120 2.844 2.182 3.892 . 0 0 "[ . 1 . 2]" 1
1789 2 28 LEU HA 2 28 LEU QD 3.460 . 3.460 2.162 2.013 2.232 . 0 0 "[ . 1 . 2]" 1
1790 2 28 LEU HA 2 28 LEU MD2 4.120 . 4.120 3.132 2.022 3.837 . 0 0 "[ . 1 . 2]" 1
1791 2 28 LEU HA 2 29 SER H 3.180 . 3.180 2.251 2.175 2.312 . 0 0 "[ . 1 . 2]" 1
1792 2 28 LEU HB2 2 29 SER H 4.440 . 4.440 4.343 4.192 4.447 0.007 19 0 "[ . 1 . 2]" 1
1793 2 28 LEU HB3 2 29 SER H 4.690 . 4.690 4.086 3.809 4.252 . 0 0 "[ . 1 . 2]" 1
1794 2 28 LEU HB3 2 69 VAL H 5.130 . 5.130 3.975 3.828 4.122 . 0 0 "[ . 1 . 2]" 1
1795 2 28 LEU HB3 2 69 VAL QG 3.680 . 3.680 2.491 2.223 2.751 . 0 0 "[ . 1 . 2]" 1
1796 2 28 LEU QD 2 29 SER H 3.490 . 3.490 2.100 1.901 2.298 . 0 0 "[ . 1 . 2]" 1
1797 2 28 LEU QD 2 32 GLU H 3.740 . 3.740 3.911 3.645 4.160 0.420 5 0 "[ . 1 . 2]" 1
1798 2 28 LEU QD 2 32 GLU HA 4.410 . 4.410 3.950 3.805 4.181 . 0 0 "[ . 1 . 2]" 1
1799 2 28 LEU QD 2 32 GLU QB 3.230 . 3.230 1.940 1.855 2.060 . 0 0 "[ . 1 . 2]" 1
1800 2 28 LEU QD 2 32 GLU HG3 4.850 . 4.850 3.118 2.504 3.439 . 0 0 "[ . 1 . 2]" 1
1801 2 28 LEU QD 2 33 LEU H 3.670 . 3.670 3.282 2.780 3.622 . 0 0 "[ . 1 . 2]" 1
1802 2 28 LEU QD 2 33 LEU HA 4.220 . 4.220 2.294 2.052 2.627 . 0 0 "[ . 1 . 2]" 1
1803 2 28 LEU QD 2 33 LEU QD 3.550 . 3.550 2.020 1.957 2.082 . 0 0 "[ . 1 . 2]" 1
1804 2 28 LEU QD 2 33 LEU HG 4.090 . 4.090 3.998 3.746 4.171 0.081 9 0 "[ . 1 . 2]" 1
1805 2 28 LEU QD 2 69 VAL H 5.060 . 5.060 4.775 4.508 4.977 . 0 0 "[ . 1 . 2]" 1
1806 2 28 LEU QD 2 69 VAL QG 3.660 . 3.660 3.262 2.935 3.522 . 0 0 "[ . 1 . 2]" 1
1807 2 28 LEU QD 2 74 TYR HD1 5.240 . 5.240 4.390 3.933 4.902 . 0 0 "[ . 1 . 2]" 1
1808 2 28 LEU MD1 2 29 SER H 4.190 . 4.190 2.859 1.961 4.407 0.217 15 0 "[ . 1 . 2]" 1
1809 2 28 LEU MD1 2 32 GLU HA 5.150 . 5.150 4.408 4.083 5.224 0.074 8 0 "[ . 1 . 2]" 1
1810 2 28 LEU MD1 2 32 GLU QB 3.860 . 3.860 2.404 1.923 3.574 . 0 0 "[ . 1 . 2]" 1
1811 2 28 LEU MD2 2 29 SER H 4.190 . 4.190 3.582 1.909 4.616 0.426 12 0 "[ . 1 . 2]" 1
1812 2 28 LEU MD2 2 32 GLU HA 5.150 . 5.150 4.745 3.994 5.282 0.132 5 0 "[ . 1 . 2]" 1
1813 2 28 LEU MD2 2 32 GLU QB 3.860 . 3.860 2.851 1.896 3.529 . 0 0 "[ . 1 . 2]" 1
1814 2 28 LEU HG 2 29 SER H 4.990 . 4.990 3.832 3.228 4.667 . 0 0 "[ . 1 . 2]" 1
1815 2 29 SER H 2 29 SER QB . . 3.480 2.767 2.569 2.919 . 0 0 "[ . 1 . 2]" 1
1816 2 29 SER H 2 32 GLU H 4.970 . 4.970 4.499 4.379 4.635 . 0 0 "[ . 1 . 2]" 1
1817 2 29 SER H 2 68 GLU HA 5.010 . 5.010 4.517 4.434 4.585 . 0 0 "[ . 1 . 2]" 1
1818 2 29 SER H 2 68 GLU QG . . 3.880 6.164 5.462 6.577 2.697 11 20 [**********+****-****] 1
1819 2 29 SER HA 2 68 GLU HA 3.880 . 3.880 1.941 1.834 2.036 . 0 0 "[ . 1 . 2]" 1
1820 2 29 SER HA 2 68 GLU QB 4.210 . 4.210 2.399 2.213 2.523 . 0 0 "[ . 1 . 2]" 1
1821 2 29 SER HA 2 68 GLU QG 4.300 . 4.300 4.286 3.788 4.438 0.138 10 0 "[ . 1 . 2]" 1
1822 2 29 SER QB 2 30 LYS H . . 3.800 2.851 2.684 2.959 . 0 0 "[ . 1 . 2]" 1
1823 2 29 SER QB 2 30 LYS HA 5.270 . 5.270 4.527 4.331 4.677 . 0 0 "[ . 1 . 2]" 1
1824 2 29 SER QB 2 31 LYS H 3.940 . 3.940 3.174 2.671 3.481 . 0 0 "[ . 1 . 2]" 1
1825 2 29 SER QB 2 31 LYS HB3 . . 4.630 4.721 4.397 4.978 0.348 2 0 "[ . 1 . 2]" 1
1826 2 29 SER QB 2 31 LYS QD 4.580 . 4.580 1.971 1.882 2.026 . 0 0 "[ . 1 . 2]" 1
1827 2 29 SER QB 2 31 LYS QG 3.450 . 3.450 3.611 3.410 3.667 0.217 4 0 "[ . 1 . 2]" 1
1828 2 29 SER QB 2 32 GLU H . . 3.520 2.506 2.139 2.738 . 0 0 "[ . 1 . 2]" 1
1829 2 29 SER QB 2 32 GLU QB 5.500 . 5.500 2.712 2.184 2.900 . 0 0 "[ . 1 . 2]" 1
1830 2 29 SER QB 2 68 GLU HA . . 4.300 3.690 3.596 3.780 . 0 0 "[ . 1 . 2]" 1
1831 2 29 SER QB 2 68 GLU QG . . 5.340 5.282 4.520 5.622 0.282 3 0 "[ . 1 . 2]" 1
1832 2 30 LYS H 2 30 LYS QB 3.610 . 3.610 2.266 2.212 2.434 . 0 0 "[ . 1 . 2]" 1
1833 2 30 LYS H 2 30 LYS QD 3.970 . 3.970 4.104 3.849 4.451 0.481 6 0 "[ . 1 . 2]" 1
1834 2 30 LYS H 2 32 GLU H 4.740 . 4.740 4.136 4.003 4.213 . 0 0 "[ . 1 . 2]" 1
1835 2 30 LYS H 2 67 GLY H 4.810 . 4.810 3.797 3.584 4.388 . 0 0 "[ . 1 . 2]" 1
1836 2 30 LYS H 2 68 GLU HA 3.960 . 3.960 2.223 2.050 2.449 . 0 0 "[ . 1 . 2]" 1
1837 2 30 LYS H 2 69 VAL H 4.710 . 4.710 4.228 4.014 4.386 . 0 0 "[ . 1 . 2]" 1
1838 2 30 LYS H 2 69 VAL QG 3.920 . 3.920 3.674 3.556 3.745 . 0 0 "[ . 1 . 2]" 1
1839 2 30 LYS HA 2 33 LEU HB3 4.180 . 4.180 2.954 2.575 3.256 . 0 0 "[ . 1 . 2]" 1
1840 2 30 LYS HA 2 61 LEU QD 3.850 . 3.850 3.706 3.533 3.829 . 0 0 "[ . 1 . 2]" 1
1841 2 30 LYS QB 2 31 LYS H 3.390 . 3.390 2.741 2.551 2.868 . 0 0 "[ . 1 . 2]" 1
1842 2 30 LYS QB 2 61 LEU HA 4.060 . 4.060 3.765 3.548 4.083 0.023 3 0 "[ . 1 . 2]" 1
1843 2 30 LYS QB 2 61 LEU QD . . 3.380 2.592 2.287 2.838 . 0 0 "[ . 1 . 2]" 1
1844 2 30 LYS QB 2 64 ASN HB2 5.210 . 5.210 4.278 4.059 4.482 . 0 0 "[ . 1 . 2]" 1
1845 2 30 LYS QB 2 65 GLY H 4.330 . 4.330 4.199 4.064 4.450 0.120 2 0 "[ . 1 . 2]" 1
1846 2 30 LYS QB 2 65 GLY QA 4.090 . 4.090 2.097 1.930 2.508 . 0 0 "[ . 1 . 2]" 1
1847 2 30 LYS QB 2 66 ASP H 5.480 . 5.480 3.946 3.426 4.046 . 0 0 "[ . 1 . 2]" 1
1848 2 30 LYS QD 2 65 GLY H 5.130 . 5.130 4.711 4.444 4.972 . 0 0 "[ . 1 . 2]" 1
1849 2 30 LYS QD 2 65 GLY QA 4.600 . 4.600 3.537 3.249 3.976 . 0 0 "[ . 1 . 2]" 1
1850 2 30 LYS QD 2 66 ASP H 5.340 . 5.340 4.729 3.774 4.852 . 0 0 "[ . 1 . 2]" 1
1851 2 30 LYS QD 2 67 GLY H 4.650 . 4.650 3.521 2.917 4.044 . 0 0 "[ . 1 . 2]" 1
1852 2 30 LYS HD2 2 67 GLY H 5.500 . 5.500 3.660 2.958 4.575 . 0 0 "[ . 1 . 2]" 1
1853 2 30 LYS HD3 2 67 GLY H 5.500 . 5.500 4.798 3.781 5.282 . 0 0 "[ . 1 . 2]" 1
1854 2 31 LYS H 2 31 LYS HB2 3.780 . 3.780 3.669 3.652 3.686 . 0 0 "[ . 1 . 2]" 1
1855 2 31 LYS H 2 31 LYS HB3 3.600 . 3.600 2.517 2.487 2.557 . 0 0 "[ . 1 . 2]" 1
1856 2 31 LYS H 2 31 LYS QG 3.410 . 3.410 3.388 3.310 3.421 0.011 10 0 "[ . 1 . 2]" 1
1857 2 31 LYS H 2 32 GLU H 3.450 . 3.450 2.635 2.503 2.804 . 0 0 "[ . 1 . 2]" 1
1858 2 31 LYS H 2 61 LEU QD 4.400 . 4.400 3.731 3.634 3.829 . 0 0 "[ . 1 . 2]" 1
1859 2 31 LYS H 2 65 GLY H 5.070 . 5.070 5.247 5.160 5.348 0.278 5 0 "[ . 1 . 2]" 1
1860 2 31 LYS H 2 65 GLY QA 3.280 . 3.280 2.591 2.446 2.686 . 0 0 "[ . 1 . 2]" 1
1861 2 31 LYS H 2 66 ASP H 5.130 . 5.130 4.701 4.464 4.826 . 0 0 "[ . 1 . 2]" 1
1862 2 31 LYS H 2 66 ASP HA 5.500 . 5.500 4.204 3.896 5.154 . 0 0 "[ . 1 . 2]" 1
1863 2 31 LYS HA 2 31 LYS QG 3.400 . 3.400 3.532 3.491 3.606 0.206 5 0 "[ . 1 . 2]" 1
1864 2 31 LYS HB2 2 32 GLU H 3.780 . 3.780 4.093 3.980 4.154 0.374 4 0 "[ . 1 . 2]" 1
1865 2 31 LYS HB2 2 32 GLU QB 5.500 . 5.500 5.785 5.502 5.859 0.359 18 0 "[ . 1 . 2]" 1
1866 2 31 LYS HB2 2 65 GLY QA 3.780 . 3.780 3.557 3.416 3.682 . 0 0 "[ . 1 . 2]" 1
1867 2 31 LYS HB3 2 65 GLY QA 3.020 . 3.020 2.263 2.096 2.378 . 0 0 "[ . 1 . 2]" 1
1868 2 31 LYS HB3 2 66 ASP H 5.500 . 5.500 4.646 4.438 4.967 . 0 0 "[ . 1 . 2]" 1
1869 2 31 LYS QD 2 32 GLU HG2 5.190 . 5.190 2.303 2.177 3.689 . 0 0 "[ . 1 . 2]" 1
1870 2 31 LYS QD 2 65 GLY H 5.500 . 5.500 5.491 5.328 5.541 0.041 17 0 "[ . 1 . 2]" 1
1871 2 31 LYS QD 2 65 GLY QA 4.120 . 4.120 3.331 3.030 3.476 . 0 0 "[ . 1 . 2]" 1
1872 2 31 LYS QD 2 66 ASP H 4.690 . 4.690 4.362 4.196 4.521 . 0 0 "[ . 1 . 2]" 1
1873 2 31 LYS QD 2 66 ASP HA 4.460 . 4.460 2.830 2.441 3.829 . 0 0 "[ . 1 . 2]" 1
1874 2 31 LYS QE 2 31 LYS QG 2.590 . 2.590 2.164 2.065 2.370 . 0 0 "[ . 1 . 2]" 1
1875 2 31 LYS QE 2 32 GLU HG2 3.570 . 3.570 2.671 2.381 3.335 . 0 0 "[ . 1 . 2]" 1
1876 2 31 LYS QE 2 32 GLU HG3 3.940 . 3.940 3.634 3.276 4.392 0.452 20 0 "[ . 1 . 2]" 1
1877 2 31 LYS QG 2 32 GLU H 3.710 . 3.710 2.756 2.682 2.818 . 0 0 "[ . 1 . 2]" 1
1878 2 31 LYS QG 2 32 GLU QB . . 3.880 3.970 3.563 4.053 0.173 5 0 "[ . 1 . 2]" 1
1879 2 31 LYS QG 2 32 GLU HG2 3.710 . 3.710 2.598 2.426 3.114 . 0 0 "[ . 1 . 2]" 1
1880 2 31 LYS QG 2 32 GLU HG3 4.330 . 4.330 4.105 4.011 4.609 0.279 20 0 "[ . 1 . 2]" 1
1881 2 31 LYS QG 2 65 GLY QA 4.950 . 4.950 4.156 3.939 4.302 . 0 0 "[ . 1 . 2]" 1
1882 2 31 LYS QG 2 66 ASP HA 4.610 . 4.610 4.677 4.482 4.849 0.239 10 0 "[ . 1 . 2]" 1
1883 2 32 GLU H 2 32 GLU QB 3.690 . 3.690 2.367 1.937 2.456 . 0 0 "[ . 1 . 2]" 1
1884 2 32 GLU H 2 33 LEU H 3.350 . 3.350 2.410 2.362 2.484 . 0 0 "[ . 1 . 2]" 1
1885 2 32 GLU H 2 34 LYS H 4.570 . 4.570 4.006 3.899 4.100 . 0 0 "[ . 1 . 2]" 1
1886 2 32 GLU HA 2 32 GLU HG2 3.250 . 3.250 3.124 2.504 3.227 . 0 0 "[ . 1 . 2]" 1
1887 2 32 GLU HA 2 34 LYS H 4.280 . 4.280 3.998 3.887 4.240 . 0 0 "[ . 1 . 2]" 1
1888 2 33 LEU H 2 33 LEU HB3 3.470 . 3.470 2.617 2.490 2.731 . 0 0 "[ . 1 . 2]" 1
1889 2 33 LEU H 2 33 LEU QD 4.280 . 4.280 3.636 3.526 3.759 . 0 0 "[ . 1 . 2]" 1
1890 2 33 LEU H 2 34 LYS H 3.620 . 3.620 2.560 2.488 2.672 . 0 0 "[ . 1 . 2]" 1
1891 2 33 LEU H 2 34 LYS HB3 5.500 . 5.500 5.077 4.962 5.182 . 0 0 "[ . 1 . 2]" 1
1892 2 33 LEU H 2 35 GLU H 4.580 . 4.580 4.146 4.042 4.364 . 0 0 "[ . 1 . 2]" 1
1893 2 33 LEU HA 2 33 LEU MD1 4.070 . 4.070 2.221 1.945 2.511 . 0 0 "[ . 1 . 2]" 1
1894 2 33 LEU HA 2 33 LEU QD 3.430 . 3.430 2.207 1.939 2.483 . 0 0 "[ . 1 . 2]" 1
1895 2 33 LEU HA 2 33 LEU MD2 4.070 . 4.070 3.861 3.818 3.909 . 0 0 "[ . 1 . 2]" 1
1896 2 33 LEU HA 2 36 LEU H 3.380 . 3.380 3.210 3.103 3.286 . 0 0 "[ . 1 . 2]" 1
1897 2 33 LEU HA 2 36 LEU HA 5.090 . 5.090 5.334 5.209 5.448 0.358 13 0 "[ . 1 . 2]" 1
1898 2 33 LEU HA 2 36 LEU HB3 4.540 . 4.540 2.888 2.693 3.110 . 0 0 "[ . 1 . 2]" 1
1899 2 33 LEU HA 2 36 LEU QD 4.960 . 4.960 3.412 3.265 3.550 . 0 0 "[ . 1 . 2]" 1
1900 2 33 LEU HB3 2 34 LYS H 3.440 . 3.440 2.729 2.587 2.954 . 0 0 "[ . 1 . 2]" 1
1901 2 33 LEU HB3 2 34 LYS HA 4.200 . 4.200 4.087 4.013 4.208 0.008 9 0 "[ . 1 . 2]" 1
1902 2 33 LEU HB3 2 34 LYS HB2 4.730 . 4.730 4.280 4.145 4.531 . 0 0 "[ . 1 . 2]" 1
1903 2 33 LEU QD 2 36 LEU H 4.510 . 4.510 4.322 3.720 4.608 0.098 15 0 "[ . 1 . 2]" 1
1904 2 33 LEU QD 2 36 LEU HB2 4.640 . 4.640 3.636 3.022 4.040 . 0 0 "[ . 1 . 2]" 1
1905 2 33 LEU QD 2 36 LEU HB3 3.870 . 3.870 2.841 2.203 3.156 . 0 0 "[ . 1 . 2]" 1
1906 2 33 LEU QD 2 36 LEU QD 3.200 . 3.200 2.254 2.003 2.461 . 0 0 "[ . 1 . 2]" 1
1907 2 33 LEU QD 2 37 LEU HA 5.440 . 5.440 5.079 4.667 5.174 . 0 0 "[ . 1 . 2]" 1
1908 2 33 LEU QD 2 37 LEU QD 4.410 . 4.410 2.381 2.167 2.535 . 0 0 "[ . 1 . 2]" 1
1909 2 33 LEU QD 2 74 TYR HD1 3.910 . 3.910 1.862 1.820 1.903 . 0 0 "[ . 1 . 2]" 1
1910 2 33 LEU QD 2 74 TYR HE1 4.250 . 4.250 3.502 2.821 3.628 . 0 0 "[ . 1 . 2]" 1
1911 2 33 LEU HG 2 34 LYS H 4.740 . 4.740 4.235 4.028 4.458 . 0 0 "[ . 1 . 2]" 1
1912 2 33 LEU HG 2 36 LEU HB3 3.740 . 3.740 3.555 3.229 3.741 0.001 19 0 "[ . 1 . 2]" 1
1913 2 33 LEU HG 2 36 LEU QD 4.620 . 4.620 3.623 3.392 3.886 . 0 0 "[ . 1 . 2]" 1
1914 2 33 LEU HG 2 37 LEU QD 3.610 . 3.610 2.438 2.045 2.742 . 0 0 "[ . 1 . 2]" 1
1915 2 33 LEU HG 2 37 LEU HG 5.290 . 5.290 3.254 2.326 4.750 . 0 0 "[ . 1 . 2]" 1
1916 2 33 LEU HG 2 74 TYR HA 5.190 . 5.190 4.655 4.650 4.669 . 0 0 "[ . 1 . 2]" 1
1917 2 33 LEU HG 2 74 TYR HD1 4.610 . 4.610 3.507 3.241 3.707 . 0 0 "[ . 1 . 2]" 1
1918 2 34 LYS H 2 34 LYS HB2 3.230 . 3.230 2.317 2.265 2.390 . 0 0 "[ . 1 . 2]" 1
1919 2 34 LYS H 2 34 LYS HB3 3.270 . 3.270 2.756 2.685 2.836 . 0 0 "[ . 1 . 2]" 1
1920 2 34 LYS H 2 35 GLU H 3.570 . 3.570 2.678 2.605 2.782 . 0 0 "[ . 1 . 2]" 1
1921 2 34 LYS H 2 61 LEU QD 3.930 . 3.930 2.782 2.647 2.875 . 0 0 "[ . 1 . 2]" 1
1922 2 34 LYS HA 2 37 LEU QD 3.820 . 3.820 2.436 2.197 2.813 . 0 0 "[ . 1 . 2]" 1
1923 2 34 LYS HA 2 61 LEU QD 4.060 . 4.060 2.812 2.615 2.948 . 0 0 "[ . 1 . 2]" 1
1924 2 34 LYS HB2 2 34 LYS HD2 3.930 . 3.930 3.613 3.576 3.656 . 0 0 "[ . 1 . 2]" 1
1925 2 34 LYS HB2 2 34 LYS QD 3.450 . 3.450 2.357 2.301 2.411 . 0 0 "[ . 1 . 2]" 1
1926 2 34 LYS HB2 2 34 LYS HD3 3.930 . 3.930 2.389 2.329 2.445 . 0 0 "[ . 1 . 2]" 1
1927 2 34 LYS HB2 2 34 LYS QE 4.310 . 4.310 3.127 2.977 3.262 . 0 0 "[ . 1 . 2]" 1
1928 2 34 LYS HB3 2 35 GLU H 3.800 . 3.800 2.785 2.700 2.872 . 0 0 "[ . 1 . 2]" 1
1929 2 34 LYS QD 2 61 LEU QD 3.240 . 3.240 2.183 2.084 2.254 . 0 0 "[ . 1 . 2]" 1
1930 2 34 LYS QD 2 62 ASP HA 4.250 . 4.250 3.733 3.252 4.135 . 0 0 "[ . 1 . 2]" 1
1931 2 34 LYS QD 2 62 ASP QB 4.190 . 4.190 3.933 3.501 4.275 0.085 1 0 "[ . 1 . 2]" 1
1932 2 34 LYS HD2 2 61 LEU QD 3.760 . 3.760 3.254 3.143 3.385 . 0 0 "[ . 1 . 2]" 1
1933 2 34 LYS HD3 2 61 LEU QD 3.760 . 3.760 2.218 2.111 2.294 . 0 0 "[ . 1 . 2]" 1
1934 2 34 LYS QE 2 35 GLU HA 4.610 . 4.610 4.594 4.574 4.636 0.026 5 0 "[ . 1 . 2]" 1
1935 2 34 LYS QE 2 38 GLN HE21 4.120 . 4.120 4.035 3.368 4.161 0.041 16 0 "[ . 1 . 2]" 1
1936 2 34 LYS QE 2 38 GLN HE22 4.010 . 4.010 3.022 2.542 3.230 . 0 0 "[ . 1 . 2]" 1
1937 2 34 LYS QE 2 61 LEU QD 4.880 . 4.880 3.533 3.284 3.656 . 0 0 "[ . 1 . 2]" 1
1938 2 34 LYS QG 2 38 GLN HE21 4.530 . 4.530 3.864 2.716 4.344 . 0 0 "[ . 1 . 2]" 1
1939 2 34 LYS QG 2 38 GLN HE22 5.050 . 5.050 3.729 2.992 4.123 . 0 0 "[ . 1 . 2]" 1
1940 2 34 LYS QG 2 61 LEU QD . . 3.380 2.221 2.143 2.324 . 0 0 "[ . 1 . 2]" 1
1941 2 34 LYS QG 2 62 ASP HA 5.500 . 5.500 5.739 5.244 6.108 0.608 13 3 "[ - 1 + .* 2]" 1
1942 2 35 GLU H 2 35 GLU QB 2.840 . 2.840 2.205 2.164 2.252 . 0 0 "[ . 1 . 2]" 1
1943 2 35 GLU H 2 36 LEU H 3.320 . 3.320 2.646 2.589 2.705 . 0 0 "[ . 1 . 2]" 1
1944 2 35 GLU H 2 36 LEU HB2 4.880 . 4.880 4.896 4.818 4.977 0.097 4 0 "[ . 1 . 2]" 1
1945 2 35 GLU H 2 37 LEU H 4.670 . 4.670 4.105 4.048 4.175 . 0 0 "[ . 1 . 2]" 1
1946 2 35 GLU H 2 37 LEU QD 5.410 . 5.410 4.984 4.809 5.178 . 0 0 "[ . 1 . 2]" 1
1947 2 35 GLU HA 2 35 GLU HG3 3.140 . 3.140 2.820 2.578 2.955 . 0 0 "[ . 1 . 2]" 1
1948 2 35 GLU HA 2 36 LEU HA 5.320 . 5.320 4.841 4.813 4.868 . 0 0 "[ . 1 . 2]" 1
1949 2 35 GLU HA 2 38 GLN H 3.940 . 3.940 3.495 3.445 3.563 . 0 0 "[ . 1 . 2]" 1
1950 2 35 GLU HA 2 38 GLN HA 5.500 . 5.500 5.511 5.502 5.521 0.021 7 0 "[ . 1 . 2]" 1
1951 2 35 GLU HA 2 38 GLN HE21 4.280 . 4.280 3.033 2.313 3.612 . 0 0 "[ . 1 . 2]" 1
1952 2 35 GLU HA 2 38 GLN HE22 4.640 . 4.640 4.049 3.508 4.510 . 0 0 "[ . 1 . 2]" 1
1953 2 35 GLU HA 2 38 GLN HG3 4.300 . 4.300 4.285 4.211 4.305 0.005 13 0 "[ . 1 . 2]" 1
1954 2 35 GLU QB 2 36 LEU H 3.110 . 3.110 2.270 2.206 2.400 . 0 0 "[ . 1 . 2]" 1
1955 2 35 GLU QB 2 36 LEU HA 4.200 . 4.200 3.969 3.957 3.985 . 0 0 "[ . 1 . 2]" 1
1956 2 35 GLU HG2 2 36 LEU H 4.360 . 4.360 3.737 3.612 3.952 . 0 0 "[ . 1 . 2]" 1
1957 2 35 GLU HG2 2 36 LEU HA 4.590 . 4.590 3.727 3.578 3.992 . 0 0 "[ . 1 . 2]" 1
1958 2 35 GLU HG2 2 39 THR HB 4.780 . 4.780 4.328 3.982 4.501 . 0 0 "[ . 1 . 2]" 1
1959 2 36 LEU H 2 36 LEU HB2 3.220 . 3.220 2.390 2.307 2.442 . 0 0 "[ . 1 . 2]" 1
1960 2 36 LEU H 2 36 LEU MD1 4.430 . 4.430 4.124 4.074 4.174 . 0 0 "[ . 1 . 2]" 1
1961 2 36 LEU H 2 36 LEU QD 3.800 . 3.800 3.736 3.713 3.763 . 0 0 "[ . 1 . 2]" 1
1962 2 36 LEU H 2 36 LEU MD2 4.430 . 4.430 4.274 4.221 4.324 . 0 0 "[ . 1 . 2]" 1
1963 2 36 LEU H 2 36 LEU HG 4.980 . 4.980 4.482 4.417 4.523 . 0 0 "[ . 1 . 2]" 1
1964 2 36 LEU H 2 37 LEU H 3.460 . 3.460 2.718 2.678 2.774 . 0 0 "[ . 1 . 2]" 1
1965 2 36 LEU H 2 38 GLN H 5.030 . 5.030 4.028 3.987 4.063 . 0 0 "[ . 1 . 2]" 1
1966 2 36 LEU HA 2 36 LEU QD 3.800 . 3.800 3.059 2.972 3.104 . 0 0 "[ . 1 . 2]" 1
1967 2 36 LEU HA 2 36 LEU HG 3.780 . 3.780 2.677 2.624 2.719 . 0 0 "[ . 1 . 2]" 1
1968 2 36 LEU HA 2 39 THR HB 4.360 . 4.360 2.768 2.697 2.810 . 0 0 "[ . 1 . 2]" 1
1969 2 36 LEU HA 2 39 THR MG 4.370 . 4.370 4.115 4.069 4.148 . 0 0 "[ . 1 . 2]" 1
1970 2 36 LEU HA 2 40 GLU H 4.680 . 4.680 3.570 3.191 3.834 . 0 0 "[ . 1 . 2]" 1
1971 2 36 LEU HB3 2 37 LEU H 3.340 . 3.340 2.446 2.408 2.521 . 0 0 "[ . 1 . 2]" 1
1972 2 36 LEU QD 2 37 LEU H 3.960 . 3.960 3.169 3.098 3.292 . 0 0 "[ . 1 . 2]" 1
1973 2 36 LEU QD 2 37 LEU HA 3.590 . 3.590 2.886 2.781 3.051 . 0 0 "[ . 1 . 2]" 1
1974 2 36 LEU QD 2 39 THR H 5.000 . 5.000 4.354 4.291 4.427 . 0 0 "[ . 1 . 2]" 1
1975 2 36 LEU QD 2 40 GLU H 4.140 . 4.140 3.304 3.231 3.412 . 0 0 "[ . 1 . 2]" 1
1976 2 36 LEU QD 2 40 GLU QG 3.530 . 3.530 3.173 2.837 3.428 . 0 0 "[ . 1 . 2]" 1
1977 2 36 LEU QD 2 41 LEU H 4.560 . 4.560 3.647 3.316 3.950 . 0 0 "[ . 1 . 2]" 1
1978 2 36 LEU QD 2 41 LEU HG 4.240 . 4.240 6.107 5.730 6.369 2.129 1 20 [+**-****************] 1
1979 2 36 LEU QD 2 74 TYR HD1 3.980 . 3.980 3.019 2.879 3.143 . 0 0 "[ . 1 . 2]" 1
1980 2 36 LEU QD 2 74 TYR HE1 3.580 . 3.580 2.052 1.936 2.204 . 0 0 "[ . 1 . 2]" 1
1981 2 36 LEU MD1 2 74 TYR HD1 4.570 . 4.570 3.364 3.102 3.578 . 0 0 "[ . 1 . 2]" 1
1982 2 36 LEU MD1 2 74 TYR HE1 4.310 . 4.310 2.932 2.555 3.208 . 0 0 "[ . 1 . 2]" 1
1983 2 36 LEU MD2 2 74 TYR HD1 4.570 . 4.570 3.440 3.237 3.613 . 0 0 "[ . 1 . 2]" 1
1984 2 36 LEU MD2 2 74 TYR HE1 4.310 . 4.310 2.097 1.988 2.246 . 0 0 "[ . 1 . 2]" 1
1985 2 36 LEU HG 2 40 GLU QG 4.770 . 4.770 3.540 2.698 4.133 . 0 0 "[ . 1 . 2]" 1
1986 2 36 LEU HG 2 74 TYR HE1 4.540 . 4.540 4.637 4.401 4.925 0.385 3 0 "[ . 1 . 2]" 1
1987 2 37 LEU H 2 37 LEU QB 3.400 . 3.400 2.202 2.086 2.304 . 0 0 "[ . 1 . 2]" 1
1988 2 37 LEU H 2 37 LEU MD1 4.300 . 4.300 3.132 2.430 3.510 . 0 0 "[ . 1 . 2]" 1
1989 2 37 LEU H 2 37 LEU MD2 4.300 . 4.300 3.656 3.512 3.823 . 0 0 "[ . 1 . 2]" 1
1990 2 37 LEU H 2 38 GLN H 3.630 . 3.630 2.679 2.622 2.712 . 0 0 "[ . 1 . 2]" 1
1991 2 37 LEU H 2 39 THR H 4.820 . 4.820 4.017 3.983 4.048 . 0 0 "[ . 1 . 2]" 1
1992 2 37 LEU HA 2 37 LEU MD1 4.140 . 4.140 3.316 2.189 3.911 . 0 0 "[ . 1 . 2]" 1
1993 2 37 LEU HA 2 37 LEU QD 3.590 . 3.590 2.173 2.137 2.259 . 0 0 "[ . 1 . 2]" 1
1994 2 37 LEU HA 2 37 LEU MD2 4.140 . 4.140 2.754 2.147 3.870 . 0 0 "[ . 1 . 2]" 1
1995 2 37 LEU HA 2 40 GLU H 4.860 . 4.860 3.983 3.726 4.265 . 0 0 "[ . 1 . 2]" 1
1996 2 37 LEU HA 2 41 LEU H 3.990 . 3.990 2.967 2.763 3.222 . 0 0 "[ . 1 . 2]" 1
1997 2 37 LEU HA 2 41 LEU QB 4.420 . 4.420 2.442 2.193 2.555 . 0 0 "[ . 1 . 2]" 1
1998 2 37 LEU HA 2 41 LEU QD 3.820 . 3.820 3.390 3.062 3.625 . 0 0 "[ . 1 . 2]" 1
1999 2 37 LEU HA 2 78 VAL QG 4.680 . 4.680 4.191 3.967 4.297 . 0 0 "[ . 1 . 2]" 1
2000 2 37 LEU QB 2 38 GLN H 3.820 . 3.820 2.827 2.767 2.890 . 0 0 "[ . 1 . 2]" 1
2001 2 37 LEU QD 2 41 LEU H 4.990 . 4.990 4.318 4.104 4.572 . 0 0 "[ . 1 . 2]" 1
2002 2 37 LEU QD 2 41 LEU QB 4.750 . 4.750 2.819 2.544 3.251 . 0 0 "[ . 1 . 2]" 1
2003 2 37 LEU QD 2 74 TYR HD1 4.600 . 4.600 3.270 2.571 3.858 . 0 0 "[ . 1 . 2]" 1
2004 2 38 GLN H 2 38 GLN HB2 3.120 . 3.120 2.278 2.231 2.322 . 0 0 "[ . 1 . 2]" 1
2005 2 38 GLN H 2 38 GLN HB3 3.570 . 3.570 3.565 3.536 3.591 0.021 19 0 "[ . 1 . 2]" 1
2006 2 38 GLN H 2 38 GLN HE21 4.480 . 4.480 4.051 3.404 4.375 . 0 0 "[ . 1 . 2]" 1
2007 2 38 GLN H 2 38 GLN HG3 3.420 . 3.420 2.825 2.773 2.914 . 0 0 "[ . 1 . 2]" 1
2008 2 38 GLN H 2 39 THR H 3.510 . 3.510 2.295 2.264 2.324 . 0 0 "[ . 1 . 2]" 1
2009 2 38 GLN H 2 39 THR HB 4.710 . 4.710 4.517 4.468 4.552 . 0 0 "[ . 1 . 2]" 1
2010 2 38 GLN H 2 39 THR MG 5.500 . 5.500 5.541 5.508 5.572 0.072 16 0 "[ . 1 . 2]" 1
2011 2 38 GLN H 2 40 GLU H 4.870 . 4.870 4.306 4.188 4.454 . 0 0 "[ . 1 . 2]" 1
2012 2 38 GLN H 2 42 SER H 5.500 . 5.500 5.518 5.499 5.542 0.042 10 0 "[ . 1 . 2]" 1
2013 2 38 GLN HA 2 38 GLN HE21 4.780 . 4.780 4.271 4.202 4.444 . 0 0 "[ . 1 . 2]" 1
2014 2 38 GLN HA 2 38 GLN HE22 5.500 . 5.500 5.521 5.507 5.549 0.049 10 0 "[ . 1 . 2]" 1
2015 2 38 GLN HA 2 38 GLN HG2 3.870 . 3.870 2.266 2.203 2.345 . 0 0 "[ . 1 . 2]" 1
2016 2 38 GLN HA 2 38 GLN HG3 3.930 . 3.930 2.735 2.644 2.801 . 0 0 "[ . 1 . 2]" 1
2017 2 38 GLN HA 2 39 THR H 3.550 . 3.550 3.422 3.402 3.439 . 0 0 "[ . 1 . 2]" 1
2018 2 38 GLN HA 2 42 SER HB2 5.270 . 5.270 4.258 3.905 4.467 . 0 0 "[ . 1 . 2]" 1
2019 2 38 GLN HA 2 45 LEU QB 4.800 . 4.800 4.125 3.772 4.305 . 0 0 "[ . 1 . 2]" 1
2020 2 38 GLN HA 2 45 LEU QD 3.280 . 3.280 2.234 2.113 2.591 . 0 0 "[ . 1 . 2]" 1
2021 2 38 GLN HB2 2 38 GLN HE21 3.320 . 3.320 1.971 1.786 2.099 . 0 0 "[ . 1 . 2]" 1
2022 2 38 GLN HB2 2 38 GLN HE22 3.950 . 3.950 3.513 3.390 3.606 . 0 0 "[ . 1 . 2]" 1
2023 2 38 GLN HB2 2 39 THR H 3.560 . 3.560 3.229 3.168 3.276 . 0 0 "[ . 1 . 2]" 1
2024 2 38 GLN HB3 2 38 GLN HE21 3.640 . 3.640 2.299 1.968 3.235 . 0 0 "[ . 1 . 2]" 1
2025 2 38 GLN HB3 2 38 GLN HE22 4.040 . 4.040 3.629 3.517 3.946 . 0 0 "[ . 1 . 2]" 1
2026 2 38 GLN HB3 2 39 THR H 3.970 . 3.970 3.911 3.850 3.972 0.002 10 0 "[ . 1 . 2]" 1
2027 2 38 GLN HE21 2 45 LEU QD 5.090 . 5.090 4.920 4.718 5.024 . 0 0 "[ . 1 . 2]" 1
2028 2 38 GLN HE22 2 45 LEU QD 5.360 . 5.360 5.422 5.204 5.495 0.135 7 0 "[ . 1 . 2]" 1
2029 2 38 GLN HG2 2 45 LEU QB 5.220 . 5.220 4.623 4.523 4.746 . 0 0 "[ . 1 . 2]" 1
2030 2 38 GLN HG2 2 45 LEU MD1 4.220 . 4.220 2.703 2.352 4.137 . 0 0 "[ . 1 . 2]" 1
2031 2 38 GLN HG2 2 45 LEU QD 3.670 . 3.670 2.368 2.227 2.512 . 0 0 "[ . 1 . 2]" 1
2032 2 38 GLN HG2 2 45 LEU MD2 4.220 . 4.220 3.748 2.236 4.225 0.005 7 0 "[ . 1 . 2]" 1
2033 2 38 GLN HG2 2 58 MET ME 3.040 . 3.040 3.407 3.274 3.444 0.404 17 0 "[ . 1 . 2]" 1
2034 2 38 GLN HG3 2 45 LEU QD 4.070 . 4.070 3.097 2.931 3.308 . 0 0 "[ . 1 . 2]" 1
2035 2 38 GLN HG3 2 58 MET ME 3.600 . 3.600 2.995 2.779 3.214 . 0 0 "[ . 1 . 2]" 1
2036 2 39 THR H 2 39 THR HB 3.080 . 3.080 2.496 2.475 2.531 . 0 0 "[ . 1 . 2]" 1
2037 2 39 THR H 2 39 THR MG 3.780 . 3.780 3.758 3.731 3.789 0.009 9 0 "[ . 1 . 2]" 1
2038 2 39 THR H 2 40 GLU H 3.300 . 3.300 2.465 2.282 2.563 . 0 0 "[ . 1 . 2]" 1
2039 2 39 THR H 2 40 GLU HA 4.860 . 4.860 5.103 4.995 5.134 0.274 14 0 "[ . 1 . 2]" 1
2040 2 39 THR H 2 41 LEU QB 5.220 . 5.220 4.906 4.578 5.057 . 0 0 "[ . 1 . 2]" 1
2041 2 39 THR H 2 42 SER H 5.080 . 5.080 4.261 4.025 4.484 . 0 0 "[ . 1 . 2]" 1
2042 2 39 THR H 2 42 SER HB2 4.830 . 4.830 4.475 4.133 4.823 . 0 0 "[ . 1 . 2]" 1
2043 2 39 THR H 2 45 LEU QD 5.440 . 5.440 4.774 4.587 4.975 . 0 0 "[ . 1 . 2]" 1
2044 2 39 THR HA 2 39 THR MG 3.130 . 3.130 2.341 2.328 2.364 . 0 0 "[ . 1 . 2]" 1
2045 2 39 THR HB 2 40 GLU H 3.560 . 3.560 2.283 2.159 2.392 . 0 0 "[ . 1 . 2]" 1
2046 2 39 THR HB 2 40 GLU HA 5.060 . 5.060 4.332 4.252 4.386 . 0 0 "[ . 1 . 2]" 1
2047 2 39 THR HB 2 40 GLU HG2 5.190 . 5.190 3.311 2.548 3.830 . 0 0 "[ . 1 . 2]" 1
2048 2 39 THR HB 2 40 GLU HG3 5.190 . 5.190 4.717 4.295 5.032 . 0 0 "[ . 1 . 2]" 1
2049 2 39 THR HB 2 41 LEU H 5.330 . 5.330 4.570 4.302 4.759 . 0 0 "[ . 1 . 2]" 1
2050 2 39 THR MG 2 40 GLU H 3.960 . 3.960 3.280 3.159 3.386 . 0 0 "[ . 1 . 2]" 1
2051 2 39 THR MG 2 40 GLU HA 3.730 . 3.730 3.501 3.431 3.618 . 0 0 "[ . 1 . 2]" 1
2052 2 39 THR MG 2 40 GLU QG 4.060 . 4.060 2.922 2.689 3.124 . 0 0 "[ . 1 . 2]" 1
2053 2 40 GLU H 2 40 GLU QB 3.850 . 3.850 2.212 2.070 2.449 . 0 0 "[ . 1 . 2]" 1
2054 2 40 GLU H 2 40 GLU HG2 3.950 . 3.950 2.923 2.259 3.339 . 0 0 "[ . 1 . 2]" 1
2055 2 40 GLU H 2 40 GLU QG 3.380 . 3.380 2.843 2.240 3.205 . 0 0 "[ . 1 . 2]" 1
2056 2 40 GLU H 2 40 GLU HG3 3.950 . 3.950 3.955 3.702 4.134 0.184 15 0 "[ . 1 . 2]" 1
2057 2 40 GLU H 2 41 LEU H 3.460 . 3.460 2.376 2.220 2.485 . 0 0 "[ . 1 . 2]" 1
2058 2 40 GLU H 2 42 SER H 4.530 . 4.530 3.624 3.453 3.821 . 0 0 "[ . 1 . 2]" 1
2059 2 40 GLU HA 2 42 SER H 4.170 . 4.170 3.670 3.565 3.823 . 0 0 "[ . 1 . 2]" 1
2060 2 40 GLU QB 2 41 LEU HG 4.310 . 4.310 5.980 5.347 6.215 1.905 4 20 [***+*******-********] 1
2061 2 40 GLU QG 2 41 LEU H 4.150 . 4.150 4.309 4.072 4.427 0.277 16 0 "[ . 1 . 2]" 1
2062 2 40 GLU HG2 2 41 LEU H 5.010 . 5.010 4.643 4.263 4.754 . 0 0 "[ . 1 . 2]" 1
2063 2 40 GLU HG3 2 41 LEU H 5.010 . 5.010 5.131 4.957 5.277 0.267 16 0 "[ . 1 . 2]" 1
2064 2 41 LEU H 2 41 LEU QB . . 3.330 2.349 2.217 2.506 . 0 0 "[ . 1 . 2]" 1
2065 2 41 LEU H 2 41 LEU QD 4.020 . 4.020 3.714 3.503 3.841 . 0 0 "[ . 1 . 2]" 1
2066 2 41 LEU H 2 42 SER H 3.420 . 3.420 2.380 2.125 2.617 . 0 0 "[ . 1 . 2]" 1
2067 2 41 LEU H 2 43 GLY H 5.110 . 5.110 4.998 4.816 5.111 0.001 14 0 "[ . 1 . 2]" 1
2068 2 41 LEU HA 2 41 LEU QD . . 3.600 2.073 2.024 2.214 . 0 0 "[ . 1 . 2]" 1
2069 2 41 LEU HA 2 43 GLY H 4.770 . 4.770 3.583 3.409 3.710 . 0 0 "[ . 1 . 2]" 1
2070 2 41 LEU HA 2 44 PHE H 4.620 . 4.620 3.440 3.305 3.591 . 0 0 "[ . 1 . 2]" 1
2071 2 41 LEU QB 2 42 SER H . . 3.970 3.549 3.498 3.610 . 0 0 "[ . 1 . 2]" 1
2072 2 41 LEU QB 2 43 GLY H 5.500 . 5.500 5.042 4.860 5.142 . 0 0 "[ . 1 . 2]" 1
2073 2 41 LEU QB 2 44 PHE H 4.730 . 4.730 4.578 4.244 4.801 0.071 15 0 "[ . 1 . 2]" 1
2074 2 41 LEU QB 2 44 PHE QB 4.560 . 4.560 3.749 3.335 4.013 . 0 0 "[ . 1 . 2]" 1
2075 2 41 LEU QB 2 44 PHE QD 4.620 . 4.620 4.854 4.486 5.122 0.502 15 1 "[ . 1 + 2]" 1
2076 2 41 LEU QB 2 44 PHE QE 4.890 . 4.890 6.104 5.698 6.441 1.551 4 20 [***+***-************] 1
2077 2 41 LEU QB 2 45 LEU H 4.710 . 4.710 4.566 4.218 4.805 0.095 7 0 "[ . 1 . 2]" 1
2078 2 41 LEU QB 2 45 LEU QD 5.290 . 5.290 3.489 2.710 4.189 . 0 0 "[ . 1 . 2]" 1
2079 2 41 LEU QD 2 42 SER H 4.680 . 4.680 4.454 4.399 4.506 . 0 0 "[ . 1 . 2]" 1
2080 2 41 LEU QD 2 43 GLY H 5.010 . 5.010 4.602 4.386 4.798 . 0 0 "[ . 1 . 2]" 1
2081 2 41 LEU QD 2 44 PHE H 4.380 . 4.380 3.572 3.255 3.934 . 0 0 "[ . 1 . 2]" 1
2082 2 41 LEU QD 2 44 PHE QD . . 3.910 2.282 2.078 2.440 . 0 0 "[ . 1 . 2]" 1
2083 2 41 LEU QD 2 44 PHE QE . . 3.810 3.114 2.700 3.430 . 0 0 "[ . 1 . 2]" 1
2084 2 41 LEU QD 2 78 VAL HA 4.450 . 4.450 2.347 2.167 2.670 . 0 0 "[ . 1 . 2]" 1
2085 2 41 LEU QD 2 78 VAL HB 3.530 . 3.530 4.038 3.939 4.239 0.709 8 10 "[ * * *+*1** * *-2]" 1
2086 2 41 LEU QD 2 78 VAL QG 2.930 . 2.930 1.904 1.847 2.080 . 0 0 "[ . 1 . 2]" 1
2087 2 41 LEU HG 2 44 PHE QD 5.090 . 5.090 3.209 2.718 3.790 . 0 0 "[ . 1 . 2]" 1
2088 2 41 LEU HG 2 44 PHE QE 4.910 . 4.910 5.050 4.254 5.634 0.724 15 3 "[ -. 1 + *2]" 1
2089 2 42 SER H 2 42 SER HB3 3.680 . 3.680 2.973 1.921 3.195 . 0 0 "[ . 1 . 2]" 1
2090 2 42 SER H 2 43 GLY H 3.790 . 3.790 3.064 3.006 3.134 . 0 0 "[ . 1 . 2]" 1
2091 2 42 SER H 2 44 PHE H 4.760 . 4.760 4.472 4.355 4.602 . 0 0 "[ . 1 . 2]" 1
2092 2 42 SER H 2 45 LEU QD 4.700 . 4.700 4.039 3.720 4.707 0.007 9 0 "[ . 1 . 2]" 1
2093 2 42 SER HA 2 45 LEU H 4.070 . 4.070 3.309 3.174 3.389 . 0 0 "[ . 1 . 2]" 1
2094 2 42 SER HA 2 45 LEU QB . . 3.890 2.281 2.172 2.467 . 0 0 "[ . 1 . 2]" 1
2095 2 42 SER HA 2 45 LEU QD 3.720 . 3.720 2.461 2.290 2.850 . 0 0 "[ . 1 . 2]" 1
2096 2 42 SER HB2 2 45 LEU QD 4.650 . 4.650 4.330 3.742 4.487 . 0 0 "[ . 1 . 2]" 1
2097 2 43 GLY H 2 44 PHE H 3.470 . 3.470 2.556 2.468 2.692 . 0 0 "[ . 1 . 2]" 1
2098 2 43 GLY H 2 44 PHE QB 4.680 . 4.680 4.496 4.299 4.689 0.009 5 0 "[ . 1 . 2]" 1
2099 2 43 GLY H 2 45 LEU H 4.490 . 4.490 3.831 3.724 3.973 . 0 0 "[ . 1 . 2]" 1
2100 2 43 GLY H 2 46 ASP H 5.080 . 5.080 4.645 4.580 4.752 . 0 0 "[ . 1 . 2]" 1
2101 2 43 GLY H 2 46 ASP HB3 5.500 . 5.500 5.402 5.283 5.481 . 0 0 "[ . 1 . 2]" 1
2102 2 43 GLY HA2 2 45 LEU H 4.560 . 4.560 4.079 3.904 4.193 . 0 0 "[ . 1 . 2]" 1
2103 2 43 GLY HA2 2 46 ASP H 4.720 . 4.720 3.227 3.007 3.469 . 0 0 "[ . 1 . 2]" 1
2104 2 43 GLY HA2 2 46 ASP HB3 3.440 . 3.440 2.744 2.576 2.939 . 0 0 "[ . 1 . 2]" 1
2105 2 43 GLY HA3 2 44 PHE H 3.440 . 3.440 2.921 2.820 3.008 . 0 0 "[ . 1 . 2]" 1
2106 2 43 GLY HA3 2 44 PHE HA 4.590 . 4.590 4.426 4.397 4.450 . 0 0 "[ . 1 . 2]" 1
2107 2 43 GLY HA3 2 45 LEU H 5.020 . 5.020 4.488 4.389 4.595 . 0 0 "[ . 1 . 2]" 1
2108 2 43 GLY HA3 2 46 ASP H 4.980 . 4.980 4.532 4.379 4.717 . 0 0 "[ . 1 . 2]" 1
2109 2 43 GLY HA3 2 46 ASP HB3 4.920 . 4.920 4.297 4.089 4.546 . 0 0 "[ . 1 . 2]" 1
2110 2 43 GLY HA3 2 47 ALA H 5.500 . 5.500 5.050 4.916 5.182 . 0 0 "[ . 1 . 2]" 1
2111 2 44 PHE H 2 44 PHE QB 3.510 . 3.510 2.286 2.175 2.380 . 0 0 "[ . 1 . 2]" 1
2112 2 44 PHE H 2 44 PHE QD 3.780 . 3.780 2.870 2.651 3.031 . 0 0 "[ . 1 . 2]" 1
2113 2 44 PHE H 2 45 LEU QB 4.890 . 4.890 4.250 4.044 4.407 . 0 0 "[ . 1 . 2]" 1
2114 2 44 PHE HA 2 44 PHE QD 3.640 . 3.640 2.222 2.133 2.354 . 0 0 "[ . 1 . 2]" 1
2115 2 44 PHE HA 2 44 PHE QE 4.520 . 4.520 4.389 4.322 4.475 . 0 0 "[ . 1 . 2]" 1
2116 2 44 PHE HA 2 47 ALA MB 4.310 . 4.310 2.670 2.247 3.041 . 0 0 "[ . 1 . 2]" 1
2117 2 44 PHE QB 2 47 ALA MB 4.980 . 4.980 4.419 4.015 4.762 . 0 0 "[ . 1 . 2]" 1
2118 2 44 PHE QD 2 47 ALA MB 4.430 . 4.430 3.842 3.494 4.195 . 0 0 "[ . 1 . 2]" 1
2119 2 44 PHE QD 2 82 THR HA 4.720 . 4.720 2.682 2.459 2.873 . 0 0 "[ . 1 . 2]" 1
2120 2 44 PHE QE 2 78 VAL QG 5.500 . 5.500 4.158 3.822 4.503 . 0 0 "[ . 1 . 2]" 1
2121 2 44 PHE QE 2 82 THR HA 4.560 . 4.560 3.565 3.264 3.748 . 0 0 "[ . 1 . 2]" 1
2122 2 44 PHE QE 2 82 THR MG 4.020 . 4.020 2.352 2.251 2.475 . 0 0 "[ . 1 . 2]" 1
2123 2 44 PHE HZ 2 82 THR MG 3.920 . 3.920 3.590 3.471 3.857 . 0 0 "[ . 1 . 2]" 1
2124 2 45 LEU H 2 45 LEU QB . . 3.200 2.181 2.087 2.250 . 0 0 "[ . 1 . 2]" 1
2125 2 45 LEU H 2 45 LEU QD 3.960 . 3.960 3.395 2.582 3.672 . 0 0 "[ . 1 . 2]" 1
2126 2 45 LEU H 2 46 ASP H 3.570 . 3.570 2.544 2.443 2.608 . 0 0 "[ . 1 . 2]" 1
2127 2 45 LEU H 2 46 ASP HB3 4.990 . 4.990 4.706 4.630 4.719 . 0 0 "[ . 1 . 2]" 1
2128 2 45 LEU H 2 47 ALA H 4.480 . 4.480 3.866 3.742 3.960 . 0 0 "[ . 1 . 2]" 1
2129 2 45 LEU HA 2 45 LEU QD 3.490 . 3.490 2.187 2.100 2.830 . 0 0 "[ . 1 . 2]" 1
2130 2 45 LEU HA 2 47 ALA H 4.270 . 4.270 4.191 4.062 4.271 0.001 3 0 "[ . 1 . 2]" 1
2131 2 45 LEU HA 2 48 GLN H 4.140 . 4.140 3.948 3.646 4.143 0.003 9 0 "[ . 1 . 2]" 1
2132 2 45 LEU HA 2 48 GLN HA 4.640 . 4.640 4.441 4.018 4.640 0.000 14 0 "[ . 1 . 2]" 1
2133 2 45 LEU HA 2 48 GLN HE21 4.920 . 4.920 3.359 3.151 3.653 . 0 0 "[ . 1 . 2]" 1
2134 2 45 LEU HA 2 48 GLN HE22 4.820 . 4.820 4.579 4.344 4.823 0.003 9 0 "[ . 1 . 2]" 1
2135 2 45 LEU HA 2 54 VAL MG2 4.530 . 4.530 3.128 2.916 3.257 . 0 0 "[ . 1 . 2]" 1
2136 2 45 LEU QB 2 46 ASP H . . 3.620 2.641 2.306 2.735 . 0 0 "[ . 1 . 2]" 1
2137 2 45 LEU QB 2 46 ASP HB3 4.880 . 4.880 4.779 4.530 4.859 . 0 0 "[ . 1 . 2]" 1
2138 2 45 LEU QD 2 46 ASP H 4.710 . 4.710 4.106 3.866 4.171 . 0 0 "[ . 1 . 2]" 1
2139 2 45 LEU QD 2 47 ALA H 5.440 . 5.440 5.308 5.166 5.407 . 0 0 "[ . 1 . 2]" 1
2140 2 45 LEU QD 2 48 GLN H 5.300 . 5.300 4.955 4.753 5.355 0.055 8 0 "[ . 1 . 2]" 1
2141 2 45 LEU QD 2 48 GLN HE21 4.310 . 4.310 3.073 2.750 3.713 . 0 0 "[ . 1 . 2]" 1
2142 2 45 LEU QD 2 48 GLN HE22 4.460 . 4.460 3.213 3.001 3.711 . 0 0 "[ . 1 . 2]" 1
2143 2 45 LEU QD 2 48 GLN HG2 5.440 . 5.440 4.803 4.569 5.457 0.017 8 0 "[ . 1 . 2]" 1
2144 2 45 LEU QD 2 54 VAL MG2 3.690 . 3.690 2.162 2.031 3.208 . 0 0 "[ . 1 . 2]" 1
2145 2 45 LEU QD 2 58 MET ME 2.580 . 2.580 1.925 1.839 2.092 . 0 0 "[ . 1 . 2]" 1
2146 2 45 LEU MD1 2 58 MET ME 3.120 . 3.120 2.193 2.091 2.419 . 0 0 "[ . 1 . 2]" 1
2147 2 45 LEU MD2 2 58 MET ME 3.120 . 3.120 2.169 2.034 2.831 . 0 0 "[ . 1 . 2]" 1
2148 2 46 ASP H 2 46 ASP HB2 3.200 . 3.200 2.479 2.435 2.527 . 0 0 "[ . 1 . 2]" 1
2149 2 46 ASP H 2 46 ASP HB3 3.300 . 3.300 2.495 2.451 2.545 . 0 0 "[ . 1 . 2]" 1
2150 2 46 ASP H 2 47 ALA H 3.510 . 3.510 2.589 2.531 2.641 . 0 0 "[ . 1 . 2]" 1
2151 2 46 ASP H 2 47 ALA MB 4.980 . 4.980 4.329 4.255 4.365 . 0 0 "[ . 1 . 2]" 1
2152 2 46 ASP HA 2 48 GLN H 4.530 . 4.530 3.743 3.591 3.857 . 0 0 "[ . 1 . 2]" 1
2153 2 46 ASP HB3 2 47 ALA H 3.340 . 3.340 2.726 2.632 2.815 . 0 0 "[ . 1 . 2]" 1
2154 2 46 ASP HB3 2 47 ALA HA 4.940 . 4.940 4.393 4.276 4.460 . 0 0 "[ . 1 . 2]" 1
2155 2 46 ASP HB3 2 47 ALA MB 4.230 . 4.230 3.577 3.466 3.660 . 0 0 "[ . 1 . 2]" 1
2156 2 47 ALA H 2 47 ALA MB 2.910 . 2.910 2.312 2.272 2.342 . 0 0 "[ . 1 . 2]" 1
2157 2 47 ALA H 2 48 GLN HA 4.610 . 4.610 4.619 4.610 4.633 0.023 17 0 "[ . 1 . 2]" 1
2158 2 47 ALA H 2 48 GLN HB3 5.170 . 5.170 4.582 4.487 4.649 . 0 0 "[ . 1 . 2]" 1
2159 2 47 ALA H 2 48 GLN HG2 4.720 . 4.720 4.725 4.720 4.738 0.018 16 0 "[ . 1 . 2]" 1
2160 2 47 ALA HA 2 48 GLN H 3.170 . 3.170 2.984 2.785 3.151 . 0 0 "[ . 1 . 2]" 1
2161 2 47 ALA MB 2 48 GLN H 3.650 . 3.650 3.631 3.511 3.669 0.019 11 0 "[ . 1 . 2]" 1
2162 2 47 ALA MB 2 48 GLN HA 4.370 . 4.370 4.229 4.074 4.317 . 0 0 "[ . 1 . 2]" 1
2163 2 47 ALA MB 2 49 LYS HG2 4.510 . 4.510 4.482 4.163 4.667 0.157 11 0 "[ . 1 . 2]" 1
2164 2 48 GLN H 2 48 GLN HB2 3.590 . 3.590 3.595 3.591 3.604 0.014 17 0 "[ . 1 . 2]" 1
2165 2 48 GLN H 2 48 GLN HB3 3.310 . 3.310 2.531 2.462 2.599 . 0 0 "[ . 1 . 2]" 1
2166 2 48 GLN H 2 48 GLN HE21 4.850 . 4.850 3.478 3.395 3.538 . 0 0 "[ . 1 . 2]" 1
2167 2 48 GLN H 2 48 GLN HG2 3.200 . 3.200 2.127 2.036 2.260 . 0 0 "[ . 1 . 2]" 1
2168 2 48 GLN H 2 48 GLN HG3 3.800 . 3.800 3.372 3.251 3.486 . 0 0 "[ . 1 . 2]" 1
2169 2 48 GLN HA 2 49 LYS HG2 4.370 . 4.370 3.876 3.607 4.469 0.099 16 0 "[ . 1 . 2]" 1
2170 2 48 GLN HA 2 50 ASP H 4.310 . 4.310 4.263 4.021 4.630 0.320 7 0 "[ . 1 . 2]" 1
2171 2 48 GLN HB2 2 54 VAL MG1 3.540 . 3.540 2.724 2.383 2.953 . 0 0 "[ . 1 . 2]" 1
2172 2 48 GLN HB2 2 54 VAL MG2 3.970 . 3.970 2.937 2.804 3.043 . 0 0 "[ . 1 . 2]" 1
2173 2 48 GLN HE21 2 54 VAL MG1 4.530 . 4.530 3.840 3.664 4.185 . 0 0 "[ . 1 . 2]" 1
2174 2 48 GLN HE21 2 54 VAL MG2 4.570 . 4.570 3.467 3.288 3.958 . 0 0 "[ . 1 . 2]" 1
2175 2 48 GLN HE22 2 54 VAL MG1 4.530 . 4.530 3.197 2.987 3.552 . 0 0 "[ . 1 . 2]" 1
2176 2 48 GLN HE22 2 54 VAL MG2 4.580 . 4.580 3.459 3.277 3.871 . 0 0 "[ . 1 . 2]" 1
2177 2 48 GLN HG2 2 49 LYS H 4.880 . 4.880 4.798 4.672 4.834 . 0 0 "[ . 1 . 2]" 1
2178 2 48 GLN HG2 2 54 VAL MG2 5.070 . 5.070 4.539 4.485 4.682 . 0 0 "[ . 1 . 2]" 1
2179 2 48 GLN HG3 2 49 LYS H 4.340 . 4.340 3.843 3.660 3.895 . 0 0 "[ . 1 . 2]" 1
2180 2 48 GLN HG3 2 49 LYS HA 4.900 . 4.900 3.885 3.784 3.995 . 0 0 "[ . 1 . 2]" 1
2181 2 48 GLN HG3 2 54 VAL MG1 3.980 . 3.980 3.754 3.593 3.790 . 0 0 "[ . 1 . 2]" 1
2182 2 48 GLN HG3 2 54 VAL MG2 4.600 . 4.600 4.610 4.580 4.639 0.039 5 0 "[ . 1 . 2]" 1
2183 2 49 LYS H 2 49 LYS QD 5.100 . 5.100 4.278 4.051 4.545 . 0 0 "[ . 1 . 2]" 1
2184 2 49 LYS H 2 49 LYS HG3 4.990 . 4.990 4.319 3.073 4.527 . 0 0 "[ . 1 . 2]" 1
2185 2 49 LYS H 2 50 ASP H 3.470 . 3.470 2.027 1.870 2.334 . 0 0 "[ . 1 . 2]" 1
2186 2 49 LYS H 2 50 ASP HA 4.970 . 4.970 4.577 4.438 4.704 . 0 0 "[ . 1 . 2]" 1
2187 2 49 LYS H 2 84 ALA MB 5.010 . 5.010 3.495 3.290 3.724 . 0 0 "[ . 1 . 2]" 1
2188 2 49 LYS HA 2 49 LYS HD2 4.240 . 4.240 3.134 2.108 4.557 0.317 16 0 "[ . 1 . 2]" 1
2189 2 49 LYS HA 2 49 LYS QD 3.570 . 3.570 2.250 2.017 3.728 0.158 16 0 "[ . 1 . 2]" 1
2190 2 49 LYS HA 2 49 LYS HD3 4.240 . 4.240 2.462 2.033 3.956 . 0 0 "[ . 1 . 2]" 1
2191 2 49 LYS HA 2 49 LYS QE 5.210 . 5.210 4.017 2.882 4.506 . 0 0 "[ . 1 . 2]" 1
2192 2 49 LYS QB 2 50 ASP H 4.050 . 4.050 2.330 2.133 2.522 . 0 0 "[ . 1 . 2]" 1
2193 2 49 LYS HG2 2 50 ASP H 4.440 . 4.440 4.340 4.098 4.705 0.265 16 0 "[ . 1 . 2]" 1
2194 2 50 ASP H 2 50 ASP HB2 3.800 . 3.800 2.449 2.395 2.521 . 0 0 "[ . 1 . 2]" 1
2195 2 50 ASP H 2 50 ASP HB3 3.870 . 3.870 3.215 2.644 3.662 . 0 0 "[ . 1 . 2]" 1
2196 2 50 ASP H 2 51 VAL H 4.300 . 4.300 4.076 3.980 4.167 . 0 0 "[ . 1 . 2]" 1
2197 2 50 ASP H 2 53 ALA MB 4.450 . 4.450 4.481 4.317 4.633 0.183 14 0 "[ . 1 . 2]" 1
2198 2 50 ASP H 2 84 ALA HA 4.860 . 4.860 3.440 3.166 3.823 . 0 0 "[ . 1 . 2]" 1
2199 2 50 ASP H 2 84 ALA MB 4.250 . 4.250 3.031 2.934 3.137 . 0 0 "[ . 1 . 2]" 1
2200 2 50 ASP HA 2 51 VAL H 2.990 . 2.990 2.249 2.196 2.308 . 0 0 "[ . 1 . 2]" 1
2201 2 50 ASP HA 2 51 VAL QG 4.280 . 4.280 3.419 3.356 3.478 . 0 0 "[ . 1 . 2]" 1
2202 2 50 ASP HA 2 52 ASP H 4.290 . 4.290 3.426 3.238 3.612 . 0 0 "[ . 1 . 2]" 1
2203 2 50 ASP HA 2 53 ALA MB 4.410 . 4.410 4.355 4.231 4.417 0.007 4 0 "[ . 1 . 2]" 1
2204 2 50 ASP HA 2 84 ALA HA 5.500 . 5.500 4.968 4.711 5.172 . 0 0 "[ . 1 . 2]" 1
2205 2 50 ASP HA 2 84 ALA MB 4.280 . 4.280 4.482 4.453 4.554 0.274 16 0 "[ . 1 . 2]" 1
2206 2 50 ASP HB2 2 51 VAL H 4.930 . 4.930 4.549 4.481 4.662 . 0 0 "[ . 1 . 2]" 1
2207 2 50 ASP HB2 2 53 ALA MB 3.750 . 3.750 2.839 2.257 3.437 . 0 0 "[ . 1 . 2]" 1
2208 2 50 ASP HB2 2 54 VAL H 4.960 . 4.960 4.376 3.684 4.979 0.019 7 0 "[ . 1 . 2]" 1
2209 2 50 ASP HB2 2 84 ALA MB 3.950 . 3.950 2.702 2.027 3.450 . 0 0 "[ . 1 . 2]" 1
2210 2 50 ASP HB3 2 51 VAL H 4.440 . 4.440 4.211 3.997 4.406 . 0 0 "[ . 1 . 2]" 1
2211 2 50 ASP HB3 2 53 ALA H 5.040 . 5.040 2.873 2.256 3.264 . 0 0 "[ . 1 . 2]" 1
2212 2 50 ASP HB3 2 53 ALA MB 4.010 . 4.010 2.289 2.022 2.760 . 0 0 "[ . 1 . 2]" 1
2213 2 50 ASP HB3 2 84 ALA HA 4.240 . 4.240 3.081 2.259 3.918 . 0 0 "[ . 1 . 2]" 1
2214 2 50 ASP HB3 2 84 ALA MB 3.970 . 3.970 2.890 2.071 3.716 . 0 0 "[ . 1 . 2]" 1
2215 2 51 VAL H 2 51 VAL HB 3.800 . 3.800 3.629 3.597 3.647 . 0 0 "[ . 1 . 2]" 1
2216 2 51 VAL H 2 51 VAL QG 2.760 . 2.760 1.865 1.804 1.877 . 0 0 "[ . 1 . 2]" 1
2217 2 51 VAL H 2 52 ASP H 3.300 . 3.300 2.676 2.614 2.775 . 0 0 "[ . 1 . 2]" 1
2218 2 51 VAL H 2 52 ASP QB 5.250 . 5.250 4.570 4.355 4.782 . 0 0 "[ . 1 . 2]" 1
2219 2 51 VAL H 2 53 ALA MB 5.280 . 5.280 5.218 5.057 5.288 0.008 2 0 "[ . 1 . 2]" 1
2220 2 51 VAL HA 2 51 VAL QG 2.920 . 2.920 2.280 2.255 2.315 . 0 0 "[ . 1 . 2]" 1
2221 2 51 VAL HA 2 54 VAL H 3.940 . 3.940 3.477 3.166 3.674 . 0 0 "[ . 1 . 2]" 1
2222 2 51 VAL HA 2 54 VAL HB 3.840 . 3.840 3.663 3.378 3.846 0.006 2 0 "[ . 1 . 2]" 1
2223 2 51 VAL HA 2 54 VAL MG1 3.110 . 3.110 2.029 1.973 2.105 . 0 0 "[ . 1 . 2]" 1
2224 2 51 VAL HA 2 54 VAL MG2 4.450 . 4.450 4.438 4.365 4.463 0.013 9 0 "[ . 1 . 2]" 1
2225 2 51 VAL HA 2 55 ASP H 4.270 . 4.270 3.917 3.715 4.029 . 0 0 "[ . 1 . 2]" 1
2226 2 51 VAL HB 2 52 ASP H 4.230 . 4.230 3.985 3.909 4.019 . 0 0 "[ . 1 . 2]" 1
2227 2 51 VAL QG 2 52 ASP H 3.250 . 3.250 2.437 2.337 2.514 . 0 0 "[ . 1 . 2]" 1
2228 2 51 VAL QG 2 52 ASP HA . . 3.940 3.439 3.359 3.512 . 0 0 "[ . 1 . 2]" 1
2229 2 51 VAL QG 2 52 ASP QB 3.580 . 3.580 3.452 3.077 3.852 0.272 15 0 "[ . 1 . 2]" 1
2230 2 52 ASP H 2 53 ALA H 3.410 . 3.410 2.511 2.403 2.590 . 0 0 "[ . 1 . 2]" 1
2231 2 52 ASP H 2 53 ALA MB 4.250 . 4.250 4.233 4.139 4.278 0.028 5 0 "[ . 1 . 2]" 1
2232 2 52 ASP H 2 54 VAL H 4.520 . 4.520 4.037 3.881 4.165 . 0 0 "[ . 1 . 2]" 1
2233 2 52 ASP HA 2 53 ALA MB 5.170 . 5.170 5.024 4.997 5.049 . 0 0 "[ . 1 . 2]" 1
2234 2 52 ASP QB 2 53 ALA H 3.440 . 3.440 2.531 2.303 2.726 . 0 0 "[ . 1 . 2]" 1
2235 2 52 ASP QB 2 53 ALA HA 4.930 . 4.930 3.977 3.816 4.210 . 0 0 "[ . 1 . 2]" 1
2236 2 53 ALA H 2 53 ALA MB 2.980 . 2.980 2.245 2.209 2.281 . 0 0 "[ . 1 . 2]" 1
2237 2 53 ALA H 2 54 VAL H 3.530 . 3.530 2.562 2.407 2.689 . 0 0 "[ . 1 . 2]" 1
2238 2 53 ALA H 2 54 VAL HB 4.980 . 4.980 4.797 4.550 4.980 0.000 2 0 "[ . 1 . 2]" 1
2239 2 53 ALA H 2 54 VAL MG1 4.050 . 4.050 4.062 4.050 4.079 0.029 2 0 "[ . 1 . 2]" 1
2240 2 53 ALA H 2 55 ASP H 4.450 . 4.450 4.113 4.007 4.290 . 0 0 "[ . 1 . 2]" 1
2241 2 53 ALA H 2 84 ALA MB 5.160 . 5.160 3.984 3.728 4.177 . 0 0 "[ . 1 . 2]" 1
2242 2 53 ALA HA 2 56 LYS QD 4.390 . 4.390 3.345 2.434 3.695 . 0 0 "[ . 1 . 2]" 1
2243 2 53 ALA HA 2 56 LYS QE 3.300 . 3.300 3.887 2.169 4.537 1.237 20 14 "[* ***- *****. ***+]" 1
2244 2 53 ALA MB 2 54 VAL H 2.890 . 2.890 2.648 2.598 2.799 . 0 0 "[ . 1 . 2]" 1
2245 2 53 ALA MB 2 56 LYS H 4.690 . 4.690 4.466 4.281 4.636 . 0 0 "[ . 1 . 2]" 1
2246 2 53 ALA MB 2 81 LEU HA 4.600 . 4.600 4.755 4.559 4.954 0.354 11 0 "[ . 1 . 2]" 1
2247 2 53 ALA MB 2 84 ALA H 4.710 . 4.710 4.229 3.706 4.574 . 0 0 "[ . 1 . 2]" 1
2248 2 53 ALA MB 2 84 ALA HA 4.050 . 4.050 3.051 2.417 3.569 . 0 0 "[ . 1 . 2]" 1
2249 2 53 ALA MB 2 84 ALA MB 3.100 . 3.100 2.242 2.148 2.423 . 0 0 "[ . 1 . 2]" 1
2250 2 54 VAL H 2 54 VAL HB 3.230 . 3.230 2.424 2.360 2.496 . 0 0 "[ . 1 . 2]" 1
2251 2 54 VAL H 2 54 VAL MG1 3.360 . 3.360 2.283 2.145 2.421 . 0 0 "[ . 1 . 2]" 1
2252 2 54 VAL H 2 55 ASP H 3.330 . 3.330 2.603 2.556 2.687 . 0 0 "[ . 1 . 2]" 1
2253 2 54 VAL H 2 55 ASP HA 5.220 . 5.220 5.231 5.200 5.316 0.096 17 0 "[ . 1 . 2]" 1
2254 2 54 VAL H 2 55 ASP HB2 5.350 . 5.350 4.789 4.711 4.870 . 0 0 "[ . 1 . 2]" 1
2255 2 54 VAL H 2 55 ASP HB3 5.420 . 5.420 4.969 4.712 5.091 . 0 0 "[ . 1 . 2]" 1
2256 2 54 VAL H 2 56 LYS H 4.620 . 4.620 3.936 3.819 4.058 . 0 0 "[ . 1 . 2]" 1
2257 2 54 VAL H 2 84 ALA MB 4.530 . 4.530 2.902 2.654 3.263 . 0 0 "[ . 1 . 2]" 1
2258 2 54 VAL HA 2 54 VAL MG1 3.120 . 3.120 3.183 3.162 3.208 0.088 5 0 "[ . 1 . 2]" 1
2259 2 54 VAL HA 2 54 VAL MG2 3.700 . 3.700 2.289 2.245 2.334 . 0 0 "[ . 1 . 2]" 1
2260 2 54 VAL HA 2 56 LYS H 5.140 . 5.140 4.336 4.217 4.507 . 0 0 "[ . 1 . 2]" 1
2261 2 54 VAL HA 2 57 VAL H 4.180 . 4.180 3.821 3.672 3.919 . 0 0 "[ . 1 . 2]" 1
2262 2 54 VAL HA 2 58 MET H 4.970 . 4.970 4.763 4.572 4.938 . 0 0 "[ . 1 . 2]" 1
2263 2 54 VAL HA 2 81 LEU MD1 3.750 . 3.750 3.997 3.946 4.020 0.270 5 0 "[ . 1 . 2]" 1
2264 2 54 VAL HA 2 81 LEU MD2 4.360 . 4.360 4.516 4.103 4.630 0.270 10 0 "[ . 1 . 2]" 1
2265 2 54 VAL HB 2 55 ASP H 4.100 . 4.100 3.827 3.748 3.872 . 0 0 "[ . 1 . 2]" 1
2266 2 54 VAL HB 2 55 ASP HB2 5.500 . 5.500 5.516 5.506 5.531 0.031 10 0 "[ . 1 . 2]" 1
2267 2 54 VAL HB 2 84 ALA MB 4.200 . 4.200 2.524 2.277 2.831 . 0 0 "[ . 1 . 2]" 1
2268 2 54 VAL MG1 2 55 ASP HA 3.820 . 3.820 3.196 3.148 3.265 . 0 0 "[ . 1 . 2]" 1
2269 2 54 VAL MG1 2 55 ASP HB2 4.000 . 4.000 2.817 2.737 2.881 . 0 0 "[ . 1 . 2]" 1
2270 2 54 VAL MG1 2 55 ASP HB3 4.120 . 4.120 3.838 3.771 3.928 . 0 0 "[ . 1 . 2]" 1
2271 2 54 VAL MG1 2 56 LYS H 4.200 . 4.200 4.154 4.081 4.201 0.001 19 0 "[ . 1 . 2]" 1
2272 2 54 VAL MG2 2 55 ASP H 3.900 . 3.900 3.883 3.793 3.943 0.043 16 0 "[ . 1 . 2]" 1
2273 2 54 VAL MG2 2 55 ASP HA 4.280 . 4.280 3.972 3.761 4.170 . 0 0 "[ . 1 . 2]" 1
2274 2 54 VAL MG2 2 57 VAL H 4.790 . 4.790 4.898 4.738 5.010 0.220 3 0 "[ . 1 . 2]" 1
2275 2 54 VAL MG2 2 58 MET H 4.700 . 4.700 4.668 4.363 4.741 0.041 5 0 "[ . 1 . 2]" 1
2276 2 54 VAL MG2 2 58 MET ME 3.530 . 3.530 3.343 3.286 3.385 . 0 0 "[ . 1 . 2]" 1
2277 2 54 VAL MG2 2 81 LEU MD1 3.230 . 3.230 2.663 2.513 2.789 . 0 0 "[ . 1 . 2]" 1
2278 2 55 ASP H 2 55 ASP HB2 3.300 . 3.300 2.393 2.346 2.430 . 0 0 "[ . 1 . 2]" 1
2279 2 55 ASP H 2 55 ASP HB3 3.130 . 3.130 2.577 2.430 2.680 . 0 0 "[ . 1 . 2]" 1
2280 2 55 ASP H 2 56 LYS H 3.430 . 3.430 2.457 2.393 2.536 . 0 0 "[ . 1 . 2]" 1
2281 2 55 ASP H 2 56 LYS QB 4.360 . 4.360 4.218 4.106 4.331 . 0 0 "[ . 1 . 2]" 1
2282 2 55 ASP HA 2 57 VAL H 4.650 . 4.650 4.022 3.627 4.231 . 0 0 "[ . 1 . 2]" 1
2283 2 55 ASP HA 2 58 MET H 4.130 . 4.130 3.125 2.759 3.318 . 0 0 "[ . 1 . 2]" 1
2284 2 55 ASP HA 2 58 MET HB3 4.710 . 4.710 4.172 3.982 4.244 . 0 0 "[ . 1 . 2]" 1
2285 2 55 ASP HA 2 58 MET QG 4.630 . 4.630 3.065 2.947 3.244 . 0 0 "[ . 1 . 2]" 1
2286 2 55 ASP HA 2 59 LYS H 4.190 . 4.190 3.529 2.879 3.806 . 0 0 "[ . 1 . 2]" 1
2287 2 55 ASP HA 2 59 LYS QB 4.640 . 4.640 4.373 3.888 4.627 . 0 0 "[ . 1 . 2]" 1
2288 2 55 ASP HB2 2 56 LYS H 3.920 . 3.920 3.903 3.835 3.929 0.009 17 0 "[ . 1 . 2]" 1
2289 2 55 ASP HB3 2 56 LYS H 3.490 . 3.490 2.860 2.745 3.033 . 0 0 "[ . 1 . 2]" 1
2290 2 56 LYS H 2 56 LYS QB 2.790 . 2.790 2.182 2.045 2.266 . 0 0 "[ . 1 . 2]" 1
2291 2 56 LYS H 2 57 VAL H 3.340 . 3.340 2.781 2.713 2.860 . 0 0 "[ . 1 . 2]" 1
2292 2 56 LYS H 2 57 VAL HB 5.190 . 5.190 5.096 5.021 5.180 . 0 0 "[ . 1 . 2]" 1
2293 2 56 LYS H 2 58 MET H 4.710 . 4.710 4.223 4.154 4.299 . 0 0 "[ . 1 . 2]" 1
2294 2 56 LYS H 2 59 LYS H 5.040 . 5.040 4.815 4.693 4.938 . 0 0 "[ . 1 . 2]" 1
2295 2 56 LYS HA 2 56 LYS QE 4.730 . 4.730 4.115 2.244 4.738 0.008 20 0 "[ . 1 . 2]" 1
2296 2 57 VAL H 2 57 VAL HB 3.070 . 3.070 2.521 2.457 2.579 . 0 0 "[ . 1 . 2]" 1
2297 2 57 VAL H 2 57 VAL MG2 2.970 . 2.970 2.228 2.079 2.396 . 0 0 "[ . 1 . 2]" 1
2298 2 57 VAL H 2 58 MET H 3.410 . 3.410 2.477 2.313 2.581 . 0 0 "[ . 1 . 2]" 1
2299 2 57 VAL H 2 58 MET QG 4.410 . 4.410 3.937 3.922 3.965 . 0 0 "[ . 1 . 2]" 1
2300 2 57 VAL H 2 59 LYS H 4.430 . 4.430 4.262 4.150 4.350 . 0 0 "[ . 1 . 2]" 1
2301 2 57 VAL HA 2 57 VAL MG1 3.160 . 3.160 2.375 2.299 2.471 . 0 0 "[ . 1 . 2]" 1
2302 2 57 VAL HA 2 57 VAL MG2 3.170 . 3.170 2.414 2.379 2.447 . 0 0 "[ . 1 . 2]" 1
2303 2 57 VAL HA 2 58 MET HA 4.860 . 4.860 4.747 4.707 4.775 . 0 0 "[ . 1 . 2]" 1
2304 2 57 VAL HA 2 59 LYS H 5.370 . 5.370 4.888 4.761 5.061 . 0 0 "[ . 1 . 2]" 1
2305 2 57 VAL HA 2 60 GLU H 3.990 . 3.990 3.800 3.667 3.991 0.001 12 0 "[ . 1 . 2]" 1
2306 2 57 VAL HA 2 60 GLU HB3 4.180 . 4.180 2.849 2.681 2.998 . 0 0 "[ . 1 . 2]" 1
2307 2 57 VAL HB 2 58 MET H 3.210 . 3.210 2.579 2.455 2.689 . 0 0 "[ . 1 . 2]" 1
2308 2 57 VAL MG1 2 58 MET H 3.620 . 3.620 3.476 3.396 3.581 . 0 0 "[ . 1 . 2]" 1
2309 2 57 VAL MG1 2 58 MET QG 3.810 . 3.810 3.531 3.305 3.638 . 0 0 "[ . 1 . 2]" 1
2310 2 57 VAL MG1 2 60 GLU HB3 4.230 . 4.230 4.000 3.982 4.023 . 0 0 "[ . 1 . 2]" 1
2311 2 57 VAL MG1 2 80 ALA MB 3.550 . 3.550 3.338 2.968 3.719 0.169 17 0 "[ . 1 . 2]" 1
2312 2 57 VAL MG2 2 58 MET QG 4.800 . 4.800 4.382 4.249 4.544 . 0 0 "[ . 1 . 2]" 1
2313 2 58 MET H 2 58 MET HB2 3.350 . 3.350 2.405 2.355 2.437 . 0 0 "[ . 1 . 2]" 1
2314 2 58 MET H 2 58 MET QG 3.130 . 3.130 2.051 1.961 2.177 . 0 0 "[ . 1 . 2]" 1
2315 2 58 MET H 2 59 LYS H 3.540 . 3.540 2.739 2.634 2.809 . 0 0 "[ . 1 . 2]" 1
2316 2 58 MET H 2 60 GLU H 4.580 . 4.580 4.007 3.950 4.053 . 0 0 "[ . 1 . 2]" 1
2317 2 58 MET H 2 61 LEU H 5.060 . 5.060 4.722 4.655 4.796 . 0 0 "[ . 1 . 2]" 1
2318 2 58 MET HA 2 58 MET ME 4.500 . 4.500 3.935 3.450 4.055 . 0 0 "[ . 1 . 2]" 1
2319 2 58 MET HA 2 58 MET QG 3.780 . 3.780 2.706 2.529 2.777 . 0 0 "[ . 1 . 2]" 1
2320 2 58 MET HB2 2 59 LYS H 2.770 . 2.770 2.402 2.327 2.460 . 0 0 "[ . 1 . 2]" 1
2321 2 58 MET HB3 2 59 LYS H 3.390 . 3.390 3.442 3.291 3.534 0.144 9 0 "[ . 1 . 2]" 1
2322 2 58 MET HB3 2 59 LYS HA 4.490 . 4.490 4.282 4.123 4.377 . 0 0 "[ . 1 . 2]" 1
2323 2 58 MET ME 2 58 MET QG 2.970 . 2.970 2.261 2.216 2.292 . 0 0 "[ . 1 . 2]" 1
2324 2 58 MET QG 2 59 LYS H 4.110 . 4.110 3.902 3.887 3.938 . 0 0 "[ . 1 . 2]" 1
2325 2 58 MET QG 2 61 LEU H 5.500 . 5.500 5.542 5.517 5.587 0.087 5 0 "[ . 1 . 2]" 1
2326 2 59 LYS H 2 59 LYS QG 4.570 . 4.570 4.083 4.059 4.105 . 0 0 "[ . 1 . 2]" 1
2327 2 59 LYS H 2 60 GLU H 3.180 . 3.180 2.676 2.641 2.695 . 0 0 "[ . 1 . 2]" 1
2328 2 59 LYS H 2 61 LEU H 4.630 . 4.630 4.257 4.182 4.393 . 0 0 "[ . 1 . 2]" 1
2329 2 59 LYS H 2 62 ASP H 4.900 . 4.900 4.620 4.560 4.704 . 0 0 "[ . 1 . 2]" 1
2330 2 59 LYS HA 2 62 ASP H 3.510 . 3.510 3.179 3.105 3.322 . 0 0 "[ . 1 . 2]" 1
2331 2 59 LYS HA 2 62 ASP QB 3.410 . 3.410 2.293 2.242 2.356 . 0 0 "[ . 1 . 2]" 1
2332 2 59 LYS QB 2 60 GLU H 3.130 . 3.130 2.698 2.658 2.737 . 0 0 "[ . 1 . 2]" 1
2333 2 59 LYS QB 2 60 GLU HB2 4.640 . 4.640 4.368 4.256 4.409 . 0 0 "[ . 1 . 2]" 1
2334 2 59 LYS QD 2 60 GLU H 5.230 . 5.230 5.041 5.020 5.067 . 0 0 "[ . 1 . 2]" 1
2335 2 59 LYS QG 2 60 GLU HA 4.080 . 4.080 3.857 3.853 3.864 . 0 0 "[ . 1 . 2]" 1
2336 2 60 GLU H 2 60 GLU HB3 2.880 . 2.880 2.508 2.447 2.570 . 0 0 "[ . 1 . 2]" 1
2337 2 60 GLU H 2 61 LEU H 3.590 . 3.590 2.751 2.712 2.779 . 0 0 "[ . 1 . 2]" 1
2338 2 60 GLU H 2 63 GLU H 5.500 . 5.500 5.336 5.197 5.490 . 0 0 "[ . 1 . 2]" 1
2339 2 60 GLU HA 2 60 GLU HG2 3.550 . 3.550 2.949 2.483 3.835 0.285 12 0 "[ . 1 . 2]" 1
2340 2 60 GLU HA 2 64 ASN HB2 5.390 . 5.390 4.910 4.668 5.122 . 0 0 "[ . 1 . 2]" 1
2341 2 60 GLU HA 2 64 ASN QD . . 4.190 3.297 3.193 3.435 . 0 0 "[ . 1 . 2]" 1
2342 2 60 GLU HG2 2 64 ASN HB3 5.500 . 5.500 5.174 4.622 6.427 0.927 12 1 "[ . 1 + . 2]" 1
2343 2 60 GLU HG2 2 64 ASN QD . . 3.910 2.881 2.446 4.357 0.447 12 0 "[ . 1 . 2]" 1
2344 2 61 LEU H 2 61 LEU HB2 3.770 . 3.770 3.571 3.527 3.625 . 0 0 "[ . 1 . 2]" 1
2345 2 61 LEU H 2 61 LEU HB3 3.300 . 3.300 2.301 2.240 2.395 . 0 0 "[ . 1 . 2]" 1
2346 2 61 LEU H 2 61 LEU QD 3.360 . 3.360 3.182 3.087 3.237 . 0 0 "[ . 1 . 2]" 1
2347 2 61 LEU H 2 61 LEU HG 3.000 . 3.000 2.932 2.808 3.001 0.001 3 0 "[ . 1 . 2]" 1
2348 2 61 LEU H 2 62 ASP HA 5.010 . 5.010 5.017 5.011 5.030 0.020 5 0 "[ . 1 . 2]" 1
2349 2 61 LEU H 2 62 ASP QB 4.190 . 4.190 4.169 4.130 4.198 0.008 8 0 "[ . 1 . 2]" 1
2350 2 61 LEU H 2 63 GLU H 4.660 . 4.660 4.318 4.228 4.464 . 0 0 "[ . 1 . 2]" 1
2351 2 61 LEU HA 2 61 LEU QD 3.330 . 3.330 3.175 3.137 3.206 . 0 0 "[ . 1 . 2]" 1
2352 2 61 LEU HA 2 64 ASN HA 4.970 . 4.970 4.899 4.766 5.014 0.044 3 0 "[ . 1 . 2]" 1
2353 2 61 LEU HA 2 64 ASN HB2 4.510 . 4.510 2.269 2.130 2.331 . 0 0 "[ . 1 . 2]" 1
2354 2 61 LEU HB2 2 62 ASP H 4.340 . 4.340 4.334 4.287 4.350 0.010 16 0 "[ . 1 . 2]" 1
2355 2 61 LEU HB2 2 62 ASP HA 5.500 . 5.500 5.138 5.002 5.207 . 0 0 "[ . 1 . 2]" 1
2356 2 61 LEU HB2 2 63 GLU H 5.500 . 5.500 5.506 5.501 5.513 0.013 5 0 "[ . 1 . 2]" 1
2357 2 61 LEU HB3 2 62 ASP H 4.080 . 4.080 3.895 3.852 3.946 . 0 0 "[ . 1 . 2]" 1
2358 2 61 LEU QD 2 62 ASP H 4.140 . 4.140 3.427 3.237 3.502 . 0 0 "[ . 1 . 2]" 1
2359 2 61 LEU QD 2 62 ASP QB 4.310 . 4.310 3.879 3.742 4.065 . 0 0 "[ . 1 . 2]" 1
2360 2 61 LEU QD 2 63 GLU H 4.820 . 4.820 4.608 4.508 4.661 . 0 0 "[ . 1 . 2]" 1
2361 2 61 LEU QD 2 64 ASN H 4.880 . 4.880 4.410 4.214 4.534 . 0 0 "[ . 1 . 2]" 1
2362 2 61 LEU QD 2 64 ASN HB3 5.460 . 5.460 5.292 5.204 5.312 . 0 0 "[ . 1 . 2]" 1
2363 2 61 LEU QD 2 65 GLY QA 4.610 . 4.610 2.640 2.511 2.946 . 0 0 "[ . 1 . 2]" 1
2364 2 61 LEU QD 2 66 ASP H 5.500 . 5.500 5.459 5.424 5.519 0.019 5 0 "[ . 1 . 2]" 1
2365 2 61 LEU HG 2 62 ASP H 3.800 . 3.800 2.665 2.578 2.718 . 0 0 "[ . 1 . 2]" 1
2366 2 61 LEU HG 2 65 GLY QA 5.390 . 5.390 4.981 4.835 5.143 . 0 0 "[ . 1 . 2]" 1
2367 2 62 ASP H 2 62 ASP QB 2.730 . 2.730 2.164 2.067 2.205 . 0 0 "[ . 1 . 2]" 1
2368 2 62 ASP H 2 63 GLU H 3.200 . 3.200 2.702 2.596 2.812 . 0 0 "[ . 1 . 2]" 1
2369 2 62 ASP HA 2 64 ASN H 4.770 . 4.770 4.403 3.983 4.540 . 0 0 "[ . 1 . 2]" 1
2370 2 62 ASP HA 2 65 GLY H 4.610 . 4.610 4.169 3.860 4.370 . 0 0 "[ . 1 . 2]" 1
2371 2 62 ASP QB 2 63 GLU H 3.090 . 3.090 2.888 2.790 3.099 0.009 8 0 "[ . 1 . 2]" 1
2372 2 62 ASP QB 2 63 GLU QB 4.970 . 4.970 4.334 4.231 4.535 . 0 0 "[ . 1 . 2]" 1
2373 2 62 ASP QB 2 63 GLU HG3 3.970 . 3.970 2.864 2.657 3.318 . 0 0 "[ . 1 . 2]" 1
2374 2 63 GLU H 2 63 GLU QB 2.830 . 2.830 2.507 2.476 2.545 . 0 0 "[ . 1 . 2]" 1
2375 2 63 GLU H 2 63 GLU HG2 3.520 . 3.520 3.524 3.521 3.529 0.009 5 0 "[ . 1 . 2]" 1
2376 2 63 GLU H 2 63 GLU HG3 3.770 . 3.770 2.536 2.479 2.603 . 0 0 "[ . 1 . 2]" 1
2377 2 63 GLU H 2 64 ASN H 3.160 . 3.160 2.045 2.018 2.073 . 0 0 "[ . 1 . 2]" 1
2378 2 63 GLU H 2 64 ASN HA 4.830 . 4.830 4.837 4.831 4.850 0.020 16 0 "[ . 1 . 2]" 1
2379 2 63 GLU HA 2 63 GLU HG2 3.080 . 3.080 2.437 2.395 2.494 . 0 0 "[ . 1 . 2]" 1
2380 2 63 GLU HA 2 64 ASN H 3.470 . 3.470 3.456 3.387 3.478 0.008 16 0 "[ . 1 . 2]" 1
2381 2 63 GLU QB 2 64 ASN H 3.210 . 3.210 2.956 2.841 3.119 . 0 0 "[ . 1 . 2]" 1
2382 2 63 GLU QB 2 64 ASN HB2 5.330 . 5.330 4.448 4.301 4.554 . 0 0 "[ . 1 . 2]" 1
2383 2 63 GLU QB 2 64 ASN QD 3.960 . 3.960 3.129 2.924 3.243 . 0 0 "[ . 1 . 2]" 1
2384 2 63 GLU HG2 2 64 ASN H 5.030 . 5.030 4.909 4.864 4.947 . 0 0 "[ . 1 . 2]" 1
2385 2 63 GLU HG3 2 64 ASN H 4.670 . 4.670 4.267 4.211 4.339 . 0 0 "[ . 1 . 2]" 1
2386 2 64 ASN H 2 64 ASN HB2 3.230 . 3.230 2.301 2.222 2.340 . 0 0 "[ . 1 . 2]" 1
2387 2 64 ASN H 2 64 ASN HB3 3.690 . 3.690 3.579 3.516 3.608 . 0 0 "[ . 1 . 2]" 1
2388 2 64 ASN H 2 64 ASN QD . . 4.230 2.780 2.630 2.988 . 0 0 "[ . 1 . 2]" 1
2389 2 64 ASN HA 2 64 ASN QD . . 3.950 3.576 3.374 3.633 . 0 0 "[ . 1 . 2]" 1
2390 2 64 ASN HA 2 65 GLY H 3.380 . 3.380 3.105 2.978 3.177 . 0 0 "[ . 1 . 2]" 1
2391 2 64 ASN HA 2 65 GLY QA 5.260 . 5.260 4.381 4.309 4.410 . 0 0 "[ . 1 . 2]" 1
2392 2 64 ASN HA 2 66 ASP H 3.700 . 3.700 3.478 3.092 3.702 0.002 13 0 "[ . 1 . 2]" 1
2393 2 64 ASN HA 2 67 GLY H 4.380 . 4.380 4.258 3.947 4.451 0.071 1 0 "[ . 1 . 2]" 1
2394 2 64 ASN HB2 2 64 ASN QD . . 3.440 2.189 2.152 2.293 . 0 0 "[ . 1 . 2]" 1
2395 2 64 ASN HB2 2 65 GLY H 4.110 . 4.110 3.895 3.791 4.042 . 0 0 "[ . 1 . 2]" 1
2396 2 64 ASN HB3 2 65 GLY H 4.470 . 4.470 4.322 4.223 4.415 . 0 0 "[ . 1 . 2]" 1
2397 2 65 GLY H 2 65 GLY QA 2.720 . 2.720 2.180 2.167 2.225 . 0 0 "[ . 1 . 2]" 1
2398 2 65 GLY H 2 66 ASP H 3.170 . 3.170 2.872 2.770 3.226 0.056 2 0 "[ . 1 . 2]" 1
2399 2 65 GLY H 2 67 GLY H 4.390 . 4.390 4.479 4.298 5.006 0.616 2 1 "[ + . 1 . 2]" 1
2400 2 65 GLY QA 2 66 ASP H 3.050 . 3.050 2.846 2.740 2.905 . 0 0 "[ . 1 . 2]" 1
2401 2 66 ASP H 2 66 ASP QB 2.980 . 2.980 2.327 2.170 2.770 . 0 0 "[ . 1 . 2]" 1
2402 2 66 ASP H 2 67 GLY QA 4.870 . 4.870 4.103 3.746 4.206 . 0 0 "[ . 1 . 2]" 1
2403 2 66 ASP QB 2 67 GLY H 3.500 . 3.500 3.391 2.814 3.503 0.003 6 0 "[ . 1 . 2]" 1
2404 2 66 ASP QB 2 67 GLY QA 4.330 . 4.330 3.903 3.672 3.987 . 0 0 "[ . 1 . 2]" 1
2405 2 67 GLY H 2 68 GLU H 4.420 . 4.420 4.105 4.079 4.171 . 0 0 "[ . 1 . 2]" 1
2406 2 67 GLY HA2 2 68 GLU H 2.930 . 2.930 2.853 2.726 2.943 0.013 3 0 "[ . 1 . 2]" 1
2407 2 67 GLY HA2 2 68 GLU QB 4.630 . 4.630 4.101 3.746 4.501 . 0 0 "[ . 1 . 2]" 1
2408 2 67 GLY HA3 2 68 GLU H 2.930 . 2.930 2.308 2.147 2.399 . 0 0 "[ . 1 . 2]" 1
2409 2 67 GLY HA3 2 68 GLU QB 4.630 . 4.630 4.667 4.429 4.862 0.232 13 0 "[ . 1 . 2]" 1
2410 2 68 GLU H 2 68 GLU QB 2.940 . 2.940 3.200 2.862 3.304 0.364 4 0 "[ . 1 . 2]" 1
2411 2 68 GLU H 2 69 VAL H 4.560 . 4.560 4.389 4.371 4.436 . 0 0 "[ . 1 . 2]" 1
2412 2 68 GLU H 2 69 VAL HA 5.010 . 5.010 4.742 4.733 4.760 . 0 0 "[ . 1 . 2]" 1
2413 2 68 GLU H 2 69 VAL QG 4.430 . 4.430 4.039 3.866 4.195 . 0 0 "[ . 1 . 2]" 1
2414 2 68 GLU QB 2 69 VAL H 3.340 . 3.340 2.358 2.172 2.644 . 0 0 "[ . 1 . 2]" 1
2415 2 68 GLU QB 2 69 VAL HA 4.300 . 4.300 4.268 3.933 4.650 0.350 16 0 "[ . 1 . 2]" 1
2416 2 69 VAL H 2 70 ASP H 4.480 . 4.480 4.399 4.362 4.432 . 0 0 "[ . 1 . 2]" 1
2417 2 69 VAL HA 2 73 GLU HB2 4.590 . 4.590 3.295 3.156 3.498 . 0 0 "[ . 1 . 2]" 1
2418 2 69 VAL HA 2 73 GLU HB3 4.590 . 4.590 3.971 3.726 4.275 . 0 0 "[ . 1 . 2]" 1
2419 2 69 VAL HA 2 73 GLU HG3 4.330 . 4.330 3.098 2.515 3.571 . 0 0 "[ . 1 . 2]" 1
2420 2 69 VAL QG 2 70 ASP H 3.560 . 3.560 3.076 3.016 3.110 . 0 0 "[ . 1 . 2]" 1
2421 2 69 VAL QG 2 73 GLU QB 3.090 . 3.090 2.030 1.954 2.087 . 0 0 "[ . 1 . 2]" 1
2422 2 69 VAL QG 2 73 GLU HG2 4.050 . 4.050 3.630 3.586 3.683 . 0 0 "[ . 1 . 2]" 1
2423 2 69 VAL QG 2 73 GLU HG3 3.410 . 3.410 2.357 2.173 2.929 . 0 0 "[ . 1 . 2]" 1
2424 2 69 VAL QG 2 74 TYR HD1 5.440 . 5.440 4.397 4.157 4.691 . 0 0 "[ . 1 . 2]" 1
2425 2 70 ASP H 2 70 ASP HB2 3.970 . 3.970 3.801 3.784 3.848 . 0 0 "[ . 1 . 2]" 1
2426 2 70 ASP H 2 70 ASP QB 3.460 . 3.460 2.795 2.734 2.891 . 0 0 "[ . 1 . 2]" 1
2427 2 70 ASP H 2 70 ASP HB3 3.970 . 3.970 2.877 2.805 2.989 . 0 0 "[ . 1 . 2]" 1
2428 2 70 ASP H 2 71 PHE H 4.730 . 4.730 4.335 4.301 4.387 . 0 0 "[ . 1 . 2]" 1
2429 2 70 ASP H 2 73 GLU HA 5.020 . 5.020 4.969 4.801 5.034 0.014 16 0 "[ . 1 . 2]" 1
2430 2 70 ASP H 2 73 GLU QB 3.570 . 3.570 2.108 1.921 2.271 . 0 0 "[ . 1 . 2]" 1
2431 2 70 ASP QB 2 71 PHE H 3.640 . 3.640 2.277 2.229 2.309 . 0 0 "[ . 1 . 2]" 1
2432 2 71 PHE H 2 71 PHE QB 3.390 . 3.390 2.216 2.195 2.241 . 0 0 "[ . 1 . 2]" 1
2433 2 71 PHE H 2 72 GLN H 3.720 . 3.720 2.952 2.928 3.001 . 0 0 "[ . 1 . 2]" 1
2434 2 71 PHE H 2 72 GLN QB 5.090 . 5.090 4.697 4.649 4.771 . 0 0 "[ . 1 . 2]" 1
2435 2 71 PHE H 2 73 GLU H 4.930 . 4.930 4.516 4.435 4.580 . 0 0 "[ . 1 . 2]" 1
2436 2 71 PHE H 2 74 TYR HD2 5.500 . 5.500 5.265 5.164 5.392 . 0 0 "[ . 1 . 2]" 1
2437 2 71 PHE HA 2 71 PHE HD1 4.420 . 4.420 2.908 2.741 3.035 . 0 0 "[ . 1 . 2]" 1
2438 2 71 PHE HA 2 72 GLN HA 4.930 . 4.930 4.878 4.860 4.893 . 0 0 "[ . 1 . 2]" 1
2439 2 71 PHE HA 2 74 TYR HD2 4.260 . 4.260 2.467 2.369 2.602 . 0 0 "[ . 1 . 2]" 1
2440 2 71 PHE QB 2 72 GLN H 3.290 . 3.290 2.513 2.465 2.546 . 0 0 "[ . 1 . 2]" 1
2441 2 71 PHE HD2 2 72 GLN H 4.050 . 4.050 3.155 2.997 3.314 . 0 0 "[ . 1 . 2]" 1
2442 2 71 PHE HD2 2 75 VAL H 5.440 . 5.440 5.255 5.128 5.436 . 0 0 "[ . 1 . 2]" 1
2443 2 72 GLN H 2 72 GLN QB 2.760 . 2.760 2.251 2.230 2.283 . 0 0 "[ . 1 . 2]" 1
2444 2 72 GLN H 2 73 GLU HA 5.500 . 5.500 5.433 5.392 5.468 . 0 0 "[ . 1 . 2]" 1
2445 2 72 GLN H 2 75 VAL QG 4.720 . 4.720 4.646 4.628 4.683 . 0 0 "[ . 1 . 2]" 1
2446 2 72 GLN HA 2 72 GLN QE 4.610 . 4.610 4.443 4.435 4.457 . 0 0 "[ . 1 . 2]" 1
2447 2 72 GLN HA 2 72 GLN HG2 4.240 . 4.240 3.074 3.008 3.220 . 0 0 "[ . 1 . 2]" 1
2448 2 72 GLN HA 2 72 GLN HG3 3.970 . 3.970 2.377 2.357 2.430 . 0 0 "[ . 1 . 2]" 1
2449 2 72 GLN HA 2 75 VAL HB 4.530 . 4.530 3.223 3.136 3.320 . 0 0 "[ . 1 . 2]" 1
2450 2 72 GLN HA 2 75 VAL QG 3.920 . 3.920 3.503 3.406 3.589 . 0 0 "[ . 1 . 2]" 1
2451 2 72 GLN QB 2 73 GLU H 3.280 . 3.280 2.454 2.402 2.502 . 0 0 "[ . 1 . 2]" 1
2452 2 72 GLN QE 2 72 GLN HG3 . . 3.270 2.224 2.171 2.245 . 0 0 "[ . 1 . 2]" 1
2453 2 72 GLN HG2 2 73 GLU H 3.660 . 3.660 3.755 3.609 3.857 0.197 20 0 "[ . 1 . 2]" 1
2454 2 72 GLN HG3 2 75 VAL HB 4.880 . 4.880 4.711 4.569 4.867 . 0 0 "[ . 1 . 2]" 1
2455 2 73 GLU H 2 73 GLU HG2 3.460 . 3.460 3.072 2.556 3.470 0.010 2 0 "[ . 1 . 2]" 1
2456 2 73 GLU H 2 74 TYR HD2 5.500 . 5.500 5.524 5.511 5.550 0.050 5 0 "[ . 1 . 2]" 1
2457 2 73 GLU H 2 76 VAL H 4.980 . 4.980 4.783 4.672 4.878 . 0 0 "[ . 1 . 2]" 1
2458 2 73 GLU HA 2 73 GLU HG2 3.800 . 3.800 2.660 2.157 3.095 . 0 0 "[ . 1 . 2]" 1
2459 2 73 GLU HA 2 75 VAL H 5.010 . 5.010 4.335 4.211 4.438 . 0 0 "[ . 1 . 2]" 1
2460 2 73 GLU HA 2 76 VAL H 3.640 . 3.640 3.409 3.140 3.623 . 0 0 "[ . 1 . 2]" 1
2461 2 73 GLU HA 2 76 VAL HB 3.450 . 3.450 2.770 2.524 2.966 . 0 0 "[ . 1 . 2]" 1
2462 2 73 GLU HA 2 77 LEU H 5.220 . 5.220 4.221 4.093 4.298 . 0 0 "[ . 1 . 2]" 1
2463 2 73 GLU HA 2 77 LEU QD 4.150 . 4.150 4.113 3.954 4.338 0.188 9 0 "[ . 1 . 2]" 1
2464 2 73 GLU HB2 2 74 TYR H 4.070 . 4.070 2.611 2.396 2.863 . 0 0 "[ . 1 . 2]" 1
2465 2 73 GLU HB3 2 74 TYR H 4.070 . 4.070 3.125 2.815 3.542 . 0 0 "[ . 1 . 2]" 1
2466 2 74 TYR H 2 74 TYR HB2 3.590 . 3.590 2.917 2.830 2.989 . 0 0 "[ . 1 . 2]" 1
2467 2 74 TYR H 2 74 TYR HB3 3.460 . 3.460 2.016 1.996 2.042 . 0 0 "[ . 1 . 2]" 1
2468 2 74 TYR H 2 74 TYR HD2 4.080 . 4.080 3.872 3.822 3.926 . 0 0 "[ . 1 . 2]" 1
2469 2 74 TYR H 2 75 VAL H 3.560 . 3.560 2.755 2.679 2.800 . 0 0 "[ . 1 . 2]" 1
2470 2 74 TYR H 2 75 VAL HB 5.010 . 5.010 4.986 4.886 5.013 0.003 12 0 "[ . 1 . 2]" 1
2471 2 74 TYR H 2 75 VAL QG 4.700 . 4.700 4.236 4.175 4.267 . 0 0 "[ . 1 . 2]" 1
2472 2 74 TYR H 2 76 VAL H 4.150 . 4.150 4.206 4.109 4.274 0.124 14 0 "[ . 1 . 2]" 1
2473 2 74 TYR H 2 77 LEU QD 4.010 . 4.010 4.149 3.964 4.378 0.368 9 0 "[ . 1 . 2]" 1
2474 2 74 TYR HA 2 74 TYR HD1 4.410 . 4.410 3.092 3.018 3.173 . 0 0 "[ . 1 . 2]" 1
2475 2 74 TYR HA 2 76 VAL H 5.090 . 5.090 4.492 4.432 4.587 . 0 0 "[ . 1 . 2]" 1
2476 2 74 TYR HA 2 77 LEU H 4.680 . 4.680 3.626 3.565 3.724 . 0 0 "[ . 1 . 2]" 1
2477 2 74 TYR HA 2 77 LEU QD 3.820 . 3.820 2.345 2.228 2.493 . 0 0 "[ . 1 . 2]" 1
2478 2 74 TYR HA 2 78 VAL H 5.110 . 5.110 4.172 4.105 4.271 . 0 0 "[ . 1 . 2]" 1
2479 2 74 TYR HB2 2 75 VAL H 4.330 . 4.330 4.157 4.125 4.184 . 0 0 "[ . 1 . 2]" 1
2480 2 74 TYR HB3 2 74 TYR HE2 5.320 . 5.320 4.689 4.667 4.717 . 0 0 "[ . 1 . 2]" 1
2481 2 74 TYR HB3 2 75 VAL H 3.570 . 3.570 2.935 2.871 2.986 . 0 0 "[ . 1 . 2]" 1
2482 2 74 TYR HB3 2 75 VAL QG 4.310 . 4.310 3.667 3.602 3.722 . 0 0 "[ . 1 . 2]" 1
2483 2 74 TYR HD1 2 77 LEU QD 4.160 . 4.160 4.408 4.381 4.473 0.313 16 0 "[ . 1 . 2]" 1
2484 2 74 TYR HD1 2 78 VAL H 5.460 . 5.460 4.976 4.906 5.102 . 0 0 "[ . 1 . 2]" 1
2485 2 74 TYR HD1 2 78 VAL QG 4.130 . 4.130 2.988 2.929 3.089 . 0 0 "[ . 1 . 2]" 1
2486 2 74 TYR HD2 2 75 VAL H 3.880 . 3.880 2.901 2.824 2.966 . 0 0 "[ . 1 . 2]" 1
2487 2 74 TYR HD2 2 75 VAL QG 3.540 . 3.540 2.132 2.088 2.190 . 0 0 "[ . 1 . 2]" 1
2488 2 74 TYR HD2 2 76 VAL H 5.500 . 5.500 5.457 5.400 5.502 0.002 9 0 "[ . 1 . 2]" 1
2489 2 74 TYR HD2 2 78 VAL QG 5.500 . 5.500 4.462 4.394 4.569 . 0 0 "[ . 1 . 2]" 1
2490 2 74 TYR HE1 2 78 VAL QG 4.140 . 4.140 2.625 2.521 2.771 . 0 0 "[ . 1 . 2]" 1
2491 2 74 TYR HE2 2 75 VAL QG 3.780 . 3.780 2.668 2.535 2.774 . 0 0 "[ . 1 . 2]" 1
2492 2 74 TYR HE2 2 78 VAL QG 5.110 . 5.110 3.989 3.943 4.061 . 0 0 "[ . 1 . 2]" 1
2493 2 75 VAL H 2 75 VAL HB 3.320 . 3.320 2.449 2.430 2.468 . 0 0 "[ . 1 . 2]" 1
2494 2 75 VAL H 2 75 VAL QG . . 3.190 2.284 2.258 2.305 . 0 0 "[ . 1 . 2]" 1
2495 2 75 VAL H 2 76 VAL H 3.510 . 3.510 2.594 2.566 2.613 . 0 0 "[ . 1 . 2]" 1
2496 2 75 VAL H 2 76 VAL HB 4.970 . 4.970 4.718 4.713 4.727 . 0 0 "[ . 1 . 2]" 1
2497 2 75 VAL H 2 77 LEU QD 4.020 . 4.020 4.990 4.842 5.143 1.123 9 20 [*******-+***********] 1
2498 2 75 VAL HA 2 78 VAL H 3.820 . 3.820 3.212 3.111 3.290 . 0 0 "[ . 1 . 2]" 1
2499 2 75 VAL HA 2 78 VAL HB 4.880 . 4.880 2.207 2.131 2.277 . 0 0 "[ . 1 . 2]" 1
2500 2 75 VAL HA 2 78 VAL QG . . 3.870 2.864 2.806 2.955 . 0 0 "[ . 1 . 2]" 1
2501 2 75 VAL HA 2 79 ALA H 4.230 . 4.230 3.855 3.766 3.939 . 0 0 "[ . 1 . 2]" 1
2502 2 75 VAL HB 2 76 VAL H 3.490 . 3.490 2.804 2.769 2.834 . 0 0 "[ . 1 . 2]" 1
2503 2 75 VAL QG 2 76 VAL H . . 3.650 3.276 3.256 3.296 . 0 0 "[ . 1 . 2]" 1
2504 2 75 VAL QG 2 76 VAL HA 3.720 . 3.720 3.460 3.424 3.487 . 0 0 "[ . 1 . 2]" 1
2505 2 75 VAL QG 2 76 VAL MG1 5.100 . 5.100 4.911 4.889 4.935 . 0 0 "[ . 1 . 2]" 1
2506 2 75 VAL QG 2 76 VAL MG2 . . 3.730 3.619 3.581 3.665 . 0 0 "[ . 1 . 2]" 1
2507 2 75 VAL QG 2 77 LEU H 5.020 . 5.020 4.647 4.617 4.660 . 0 0 "[ . 1 . 2]" 1
2508 2 75 VAL QG 2 78 VAL H . . 4.820 4.204 4.131 4.265 . 0 0 "[ . 1 . 2]" 1
2509 2 75 VAL QG 2 78 VAL HB 5.170 . 5.170 3.223 3.102 3.319 . 0 0 "[ . 1 . 2]" 1
2510 2 75 VAL QG 2 78 VAL QG . . 3.200 3.110 3.034 3.213 0.013 12 0 "[ . 1 . 2]" 1
2511 2 75 VAL QG 2 79 ALA H . . 3.860 3.662 3.551 3.780 . 0 0 "[ . 1 . 2]" 1
2512 2 76 VAL H 2 76 VAL HB 3.010 . 3.010 2.445 2.418 2.489 . 0 0 "[ . 1 . 2]" 1
2513 2 76 VAL H 2 76 VAL MG1 4.020 . 4.020 3.793 3.786 3.802 . 0 0 "[ . 1 . 2]" 1
2514 2 76 VAL H 2 76 VAL MG2 2.870 . 2.870 2.257 2.219 2.291 . 0 0 "[ . 1 . 2]" 1
2515 2 76 VAL H 2 77 LEU H 3.780 . 3.780 2.705 2.669 2.748 . 0 0 "[ . 1 . 2]" 1
2516 2 76 VAL H 2 77 LEU HG 5.180 . 5.180 4.310 4.231 4.399 . 0 0 "[ . 1 . 2]" 1
2517 2 76 VAL H 2 78 VAL H 4.690 . 4.690 4.090 4.063 4.126 . 0 0 "[ . 1 . 2]" 1
2518 2 76 VAL H 2 79 ALA H 4.900 . 4.900 4.703 4.643 4.746 . 0 0 "[ . 1 . 2]" 1
2519 2 76 VAL H 2 79 ALA MB 4.820 . 4.820 4.793 4.741 4.837 0.017 15 0 "[ . 1 . 2]" 1
2520 2 76 VAL HA 2 76 VAL MG1 3.350 . 3.350 2.501 2.493 2.512 . 0 0 "[ . 1 . 2]" 1
2521 2 76 VAL HA 2 76 VAL MG2 3.200 . 3.200 2.410 2.378 2.453 . 0 0 "[ . 1 . 2]" 1
2522 2 76 VAL HA 2 79 ALA MB 3.680 . 3.680 2.811 2.751 2.902 . 0 0 "[ . 1 . 2]" 1
2523 2 76 VAL HB 2 77 LEU H 3.640 . 3.640 2.540 2.454 2.590 . 0 0 "[ . 1 . 2]" 1
2524 2 76 VAL HB 2 77 LEU QD 3.180 . 3.180 3.710 3.640 3.760 0.580 20 17 "[***** * **-***.****+]" 1
2525 2 76 VAL HB 2 77 LEU HG 4.470 . 4.470 3.094 2.952 3.253 . 0 0 "[ . 1 . 2]" 1
2526 2 76 VAL HB 2 79 ALA MB 5.460 . 5.460 5.273 5.200 5.359 . 0 0 "[ . 1 . 2]" 1
2527 2 76 VAL MG1 2 80 ALA H 4.360 . 4.360 4.131 4.063 4.217 . 0 0 "[ . 1 . 2]" 1
2528 2 76 VAL MG1 2 80 ALA MB 3.750 . 3.750 3.330 3.215 3.416 . 0 0 "[ . 1 . 2]" 1
2529 2 77 LEU H 2 77 LEU QB 3.410 . 3.410 2.441 2.431 2.462 . 0 0 "[ . 1 . 2]" 1
2530 2 77 LEU H 2 77 LEU QD 3.060 . 3.060 3.002 2.951 3.046 . 0 0 "[ . 1 . 2]" 1
2531 2 77 LEU H 2 77 LEU HG 3.150 . 3.150 2.118 2.071 2.169 . 0 0 "[ . 1 . 2]" 1
2532 2 77 LEU H 2 78 VAL H 3.330 . 3.330 2.607 2.574 2.644 . 0 0 "[ . 1 . 2]" 1
2533 2 77 LEU H 2 78 VAL QG 4.490 . 4.490 4.295 4.265 4.327 . 0 0 "[ . 1 . 2]" 1
2534 2 77 LEU H 2 79 ALA H 4.190 . 4.190 4.132 4.063 4.192 0.002 3 0 "[ . 1 . 2]" 1
2535 2 77 LEU H 2 80 ALA H 5.220 . 5.220 4.648 4.594 4.692 . 0 0 "[ . 1 . 2]" 1
2536 2 77 LEU HA 2 77 LEU QD 3.550 . 3.550 2.210 2.175 2.245 . 0 0 "[ . 1 . 2]" 1
2537 2 77 LEU HA 2 80 ALA H 3.730 . 3.730 3.264 3.207 3.327 . 0 0 "[ . 1 . 2]" 1
2538 2 77 LEU HA 2 80 ALA MB 3.450 . 3.450 2.478 2.357 2.534 . 0 0 "[ . 1 . 2]" 1
2539 2 77 LEU QD 2 78 VAL H 3.280 . 3.280 4.027 3.975 4.080 0.800 7 20 [******+**********-**] 1
2540 2 77 LEU HG 2 80 ALA MB 4.700 . 4.700 4.930 4.761 4.978 0.278 9 0 "[ . 1 . 2]" 1
2541 2 78 VAL H 2 78 VAL HB 3.770 . 3.770 2.271 2.215 2.319 . 0 0 "[ . 1 . 2]" 1
2542 2 78 VAL H 2 78 VAL QG 2.970 . 2.970 2.432 2.384 2.494 . 0 0 "[ . 1 . 2]" 1
2543 2 78 VAL H 2 79 ALA H 3.090 . 3.090 2.703 2.684 2.730 . 0 0 "[ . 1 . 2]" 1
2544 2 78 VAL HA 2 81 LEU H 4.150 . 4.150 3.517 3.449 3.574 . 0 0 "[ . 1 . 2]" 1
2545 2 78 VAL HB 2 79 ALA H 4.220 . 4.220 2.702 2.664 2.757 . 0 0 "[ . 1 . 2]" 1
2546 2 78 VAL QG 2 79 ALA H . . 3.400 2.998 2.950 3.053 . 0 0 "[ . 1 . 2]" 1
2547 2 78 VAL QG 2 79 ALA HA 5.500 . 5.500 3.185 3.141 3.277 . 0 0 "[ . 1 . 2]" 1
2548 2 78 VAL QG 2 79 ALA MB . . 3.240 3.589 3.551 3.615 0.375 16 0 "[ . 1 . 2]" 1
2549 2 78 VAL QG 2 80 ALA H 5.500 . 5.500 4.547 4.516 4.598 . 0 0 "[ . 1 . 2]" 1
2550 2 79 ALA H 2 79 ALA MB 2.910 . 2.910 2.205 2.196 2.213 . 0 0 "[ . 1 . 2]" 1
2551 2 79 ALA H 2 80 ALA H 3.340 . 3.340 2.635 2.606 2.656 . 0 0 "[ . 1 . 2]" 1
2552 2 79 ALA H 2 81 LEU H 4.530 . 4.530 4.216 4.161 4.290 . 0 0 "[ . 1 . 2]" 1
2553 2 79 ALA HA 2 82 THR H 4.060 . 4.060 3.199 3.112 3.273 . 0 0 "[ . 1 . 2]" 1
2554 2 79 ALA HA 2 82 THR HB 4.220 . 4.220 2.425 2.332 2.548 . 0 0 "[ . 1 . 2]" 1
2555 2 79 ALA MB 2 80 ALA H 3.040 . 3.040 2.598 2.567 2.628 . 0 0 "[ . 1 . 2]" 1
2556 2 79 ALA MB 2 82 THR HB 4.310 . 4.310 3.724 3.608 3.842 . 0 0 "[ . 1 . 2]" 1
2557 2 79 ALA MB 2 83 VAL H 5.050 . 5.050 4.450 4.397 4.496 . 0 0 "[ . 1 . 2]" 1
2558 2 80 ALA H 2 80 ALA MB 3.150 . 3.150 2.213 2.204 2.220 . 0 0 "[ . 1 . 2]" 1
2559 2 80 ALA H 2 81 LEU H 3.400 . 3.400 2.698 2.676 2.719 . 0 0 "[ . 1 . 2]" 1
2560 2 80 ALA H 2 81 LEU HA 5.350 . 5.350 5.333 5.317 5.350 . 9 0 "[ . 1 . 2]" 1
2561 2 80 ALA H 2 81 LEU HB2 4.770 . 4.770 4.767 4.678 4.848 0.078 9 0 "[ . 1 . 2]" 1
2562 2 80 ALA H 2 82 THR HB 5.500 . 5.500 5.050 4.982 5.122 . 0 0 "[ . 1 . 2]" 1
2563 2 80 ALA H 2 83 VAL MG1 5.110 . 5.110 5.126 5.048 5.215 0.105 8 0 "[ . 1 . 2]" 1
2564 2 80 ALA H 2 83 VAL MG2 5.360 . 5.360 4.248 4.193 4.324 . 0 0 "[ . 1 . 2]" 1
2565 2 80 ALA HA 2 83 VAL H 4.210 . 4.210 3.439 3.394 3.518 . 0 0 "[ . 1 . 2]" 1
2566 2 80 ALA HA 2 83 VAL HB 4.990 . 4.990 5.035 4.919 5.153 0.163 1 0 "[ . 1 . 2]" 1
2567 2 80 ALA HA 2 83 VAL MG2 3.810 . 3.810 2.046 1.954 2.141 . 0 0 "[ . 1 . 2]" 1
2568 2 80 ALA HA 2 84 ALA H 5.130 . 5.130 4.400 4.223 4.661 . 0 0 "[ . 1 . 2]" 1
2569 2 80 ALA MB 2 81 LEU H 3.270 . 3.270 2.533 2.488 2.602 . 0 0 "[ . 1 . 2]" 1
2570 2 80 ALA MB 2 81 LEU HA 4.830 . 4.830 3.906 3.874 3.934 . 0 0 "[ . 1 . 2]" 1
2571 2 80 ALA MB 2 81 LEU HB2 4.040 . 4.040 3.861 3.817 3.905 . 0 0 "[ . 1 . 2]" 1
2572 2 80 ALA MB 2 83 VAL MG2 3.800 . 3.800 3.401 3.310 3.479 . 0 0 "[ . 1 . 2]" 1
2573 2 81 LEU H 2 81 LEU HB2 3.050 . 3.050 2.226 2.168 2.284 . 0 0 "[ . 1 . 2]" 1
2574 2 81 LEU H 2 81 LEU HB3 3.620 . 3.620 2.828 2.746 2.915 . 0 0 "[ . 1 . 2]" 1
2575 2 81 LEU H 2 81 LEU MD1 3.780 . 3.780 4.020 3.975 4.068 0.288 9 0 "[ . 1 . 2]" 1
2576 2 81 LEU H 2 81 LEU MD2 4.520 . 4.520 4.400 4.373 4.427 . 0 0 "[ . 1 . 2]" 1
2577 2 81 LEU H 2 82 THR HB 4.600 . 4.600 4.850 4.806 4.856 0.256 10 0 "[ . 1 . 2]" 1
2578 2 81 LEU H 2 83 VAL MG2 5.310 . 5.310 4.409 4.311 4.469 . 0 0 "[ . 1 . 2]" 1
2579 2 81 LEU HA 2 81 LEU MD1 3.580 . 3.580 3.478 3.425 3.553 . 0 0 "[ . 1 . 2]" 1
2580 2 81 LEU HA 2 81 LEU MD2 3.750 . 3.750 3.074 2.891 3.207 . 0 0 "[ . 1 . 2]" 1
2581 2 81 LEU HA 2 84 ALA H 4.070 . 4.070 3.331 3.229 3.431 . 0 0 "[ . 1 . 2]" 1
2582 2 81 LEU HA 2 84 ALA MB 4.100 . 4.100 2.645 2.487 2.872 . 0 0 "[ . 1 . 2]" 1
2583 2 81 LEU HB2 2 81 LEU MD1 3.270 . 3.270 2.160 2.135 2.174 . 0 0 "[ . 1 . 2]" 1
2584 2 81 LEU HB2 2 81 LEU MD2 3.260 . 3.260 3.169 3.139 3.212 . 0 0 "[ . 1 . 2]" 1
2585 2 81 LEU HB2 2 82 THR H 3.940 . 3.940 3.674 3.565 3.754 . 0 0 "[ . 1 . 2]" 1
2586 2 81 LEU MD2 2 82 THR H 4.100 . 4.100 3.971 3.868 4.076 . 0 0 "[ . 1 . 2]" 1
2587 2 81 LEU MD2 2 82 THR HA 4.510 . 4.510 3.665 3.494 3.836 . 0 0 "[ . 1 . 2]" 1
2588 2 81 LEU MD2 2 83 VAL H 5.340 . 5.340 5.505 5.457 5.544 0.204 16 0 "[ . 1 . 2]" 1
2589 2 81 LEU MD2 2 84 ALA H 4.710 . 4.710 4.671 4.506 4.732 0.022 7 0 "[ . 1 . 2]" 1
2590 2 81 LEU MD2 2 84 ALA MB 3.590 . 3.590 3.446 3.076 3.598 0.008 4 0 "[ . 1 . 2]" 1
2591 2 82 THR H 2 82 THR MG 4.230 . 4.230 3.787 3.778 3.798 . 0 0 "[ . 1 . 2]" 1
2592 2 82 THR H 2 83 VAL H 3.960 . 3.960 2.842 2.755 2.923 . 0 0 "[ . 1 . 2]" 1
2593 2 82 THR H 2 84 ALA H 5.500 . 5.500 4.038 3.926 4.133 . 0 0 "[ . 1 . 2]" 1
2594 2 82 THR HB 2 83 VAL H 3.720 . 3.720 2.664 2.607 2.782 . 0 0 "[ . 1 . 2]" 1
2595 2 82 THR MG 2 83 VAL H 4.330 . 4.330 3.581 3.505 3.652 . 0 0 "[ . 1 . 2]" 1
2596 2 82 THR MG 2 83 VAL MG1 4.260 . 4.260 3.442 3.321 3.543 . 0 0 "[ . 1 . 2]" 1
2597 2 83 VAL H 2 83 VAL HB 3.620 . 3.620 3.639 3.629 3.656 0.036 16 0 "[ . 1 . 2]" 1
2598 2 83 VAL H 2 83 VAL MG1 3.390 . 3.390 2.415 2.370 2.492 . 0 0 "[ . 1 . 2]" 1
2599 2 83 VAL H 2 83 VAL MG2 3.570 . 3.570 2.070 2.044 2.098 . 0 0 "[ . 1 . 2]" 1
2600 2 83 VAL H 2 84 ALA H 3.690 . 3.690 2.640 2.586 2.744 . 0 0 "[ . 1 . 2]" 1
2601 2 83 VAL HA 2 83 VAL MG1 3.490 . 3.490 2.191 2.144 2.221 . 0 0 "[ . 1 . 2]" 1
2602 2 83 VAL MG2 2 84 ALA H 3.590 . 3.590 2.613 2.450 2.752 . 0 0 "[ . 1 . 2]" 1
2603 2 83 VAL MG2 2 84 ALA MB 4.430 . 4.430 3.509 3.342 3.722 . 0 0 "[ . 1 . 2]" 1
2604 2 84 ALA H 2 84 ALA MB 3.080 . 3.080 2.279 2.258 2.305 . 0 0 "[ . 1 . 2]" 1
2605 2 84 ALA H 2 86 ASN H 4.550 . 4.550 4.095 3.755 4.362 . 0 0 "[ . 1 . 2]" 1
2606 2 87 ASN HA 2 90 TRP HD1 3.790 . 3.790 2.649 1.824 3.661 . 0 0 "[ . 1 . 2]" 1
2607 2 87 ASN QB 2 88 PHE H 3.890 . 3.890 3.157 2.732 3.711 . 0 0 "[ . 1 . 2]" 1
2608 2 88 PHE H 2 88 PHE HB2 3.610 . 3.610 2.600 2.034 3.589 . 0 0 "[ . 1 . 2]" 1
2609 2 88 PHE H 2 88 PHE HB3 3.610 . 3.610 3.108 2.198 3.601 . 0 0 "[ . 1 . 2]" 1
2610 2 88 PHE H 2 88 PHE HD1 5.470 . 5.470 4.019 2.342 4.906 . 0 0 "[ . 1 . 2]" 1
2611 2 88 PHE H 2 88 PHE HD2 5.500 . 5.500 3.707 2.200 5.240 . 0 0 "[ . 1 . 2]" 1
2612 2 88 PHE H 2 89 PHE H 3.850 . 3.850 2.879 2.505 3.232 . 0 0 "[ . 1 . 2]" 1
2613 2 88 PHE HA 2 88 PHE HD1 4.750 . 4.750 2.940 2.271 4.254 . 0 0 "[ . 1 . 2]" 1
2614 2 88 PHE QB 2 89 PHE H 3.960 . 3.960 3.175 2.811 3.771 . 0 0 "[ . 1 . 2]" 1
2615 2 88 PHE HB2 2 89 PHE H 4.520 . 4.520 3.633 3.019 4.390 . 0 0 "[ . 1 . 2]" 1
2616 2 88 PHE HB3 2 89 PHE H 4.520 . 4.520 3.793 2.866 4.364 . 0 0 "[ . 1 . 2]" 1
2617 2 89 PHE H 2 90 TRP HB2 5.500 . 5.500 5.047 4.434 5.475 . 0 0 "[ . 1 . 2]" 1
2618 2 89 PHE H 2 90 TRP HE1 5.500 . 5.500 4.944 4.336 5.502 0.002 1 0 "[ . 1 . 2]" 1
2619 2 89 PHE HA 2 89 PHE HD1 4.540 . 4.540 2.250 1.963 2.833 . 0 0 "[ . 1 . 2]" 1
2620 2 89 PHE HA 2 89 PHE HD2 4.830 . 4.830 4.569 4.001 4.720 . 0 0 "[ . 1 . 2]" 1
2621 2 89 PHE QB 2 90 TRP HD1 3.670 . 3.670 3.409 2.722 3.676 0.006 3 0 "[ . 1 . 2]" 1
2622 2 89 PHE QB 2 90 TRP HE1 4.000 . 4.000 3.452 2.858 3.811 . 0 0 "[ . 1 . 2]" 1
2623 2 90 TRP H 2 90 TRP HB2 3.660 . 3.660 2.623 2.361 3.005 . 0 0 "[ . 1 . 2]" 1
2624 2 90 TRP H 2 90 TRP HE1 5.030 . 5.030 4.680 4.431 4.999 . 0 0 "[ . 1 . 2]" 1
2625 2 90 TRP H 2 91 GLU H 2.920 . 2.920 2.358 1.881 2.736 . 0 0 "[ . 1 . 2]" 1
2626 2 90 TRP H 2 91 GLU HB2 4.810 . 4.810 4.399 3.801 4.813 0.003 20 0 "[ . 1 . 2]" 1
2627 2 90 TRP HA 2 90 TRP HD1 4.500 . 4.500 4.390 3.973 4.510 0.010 13 0 "[ . 1 . 2]" 1
2628 2 90 TRP HA 2 90 TRP HE3 3.730 . 3.730 2.892 2.459 3.206 . 0 0 "[ . 1 . 2]" 1
2629 2 90 TRP HA 2 90 TRP HZ3 5.500 . 5.500 5.106 4.674 5.254 . 0 0 "[ . 1 . 2]" 1
2630 2 90 TRP HA 2 91 GLU H 3.470 . 3.470 3.212 3.027 3.318 . 0 0 "[ . 1 . 2]" 1
2631 2 90 TRP HA 2 91 GLU HA 4.730 . 4.730 4.464 4.432 4.488 . 0 0 "[ . 1 . 2]" 1
2632 2 90 TRP HB2 2 90 TRP HE3 4.180 . 4.180 4.173 4.105 4.187 0.007 10 0 "[ . 1 . 2]" 1
2633 2 90 TRP HB2 2 91 GLU H 4.020 . 4.020 3.653 3.088 4.025 0.005 10 0 "[ . 1 . 2]" 1
2634 2 90 TRP HB3 2 90 TRP HE3 3.800 . 3.800 2.691 2.543 2.770 . 0 0 "[ . 1 . 2]" 1
2635 2 90 TRP HB3 2 90 TRP HZ3 5.140 . 5.140 5.102 4.959 5.152 0.012 10 0 "[ . 1 . 2]" 1
2636 2 90 TRP HB3 2 91 GLU H 4.740 . 4.740 4.411 4.169 4.526 . 0 0 "[ . 1 . 2]" 1
2637 2 91 GLU H 2 91 GLU HB3 2.840 . 2.840 2.878 2.570 3.667 0.827 19 1 "[ . 1 . +2]" 1
2638 2 91 GLU H 2 92 ASN H 4.430 . 4.430 4.125 3.923 4.222 . 0 0 "[ . 1 . 2]" 1
2639 2 91 GLU H 2 92 ASN HA 5.110 . 5.110 4.574 4.219 4.817 . 0 0 "[ . 1 . 2]" 1
2640 2 91 GLU HA 2 91 GLU HG2 3.870 . 3.870 3.212 2.372 3.823 . 0 0 "[ . 1 . 2]" 1
2641 2 91 GLU HA 2 91 GLU QG 3.180 . 3.180 2.643 2.198 3.181 0.001 11 0 "[ . 1 . 2]" 1
2642 2 91 GLU HA 2 91 GLU HG3 3.870 . 3.870 2.922 2.272 3.660 . 0 0 "[ . 1 . 2]" 1
2643 2 91 GLU HA 2 92 ASN H 3.160 . 3.160 2.245 2.104 2.623 . 0 0 "[ . 1 . 2]" 1
2644 2 91 GLU HB3 2 92 ASN H 4.310 . 4.310 3.997 2.619 4.339 0.029 5 0 "[ . 1 . 2]" 1
2645 2 91 GLU HB3 2 93 SER H 5.070 . 5.070 4.198 2.957 5.042 . 0 0 "[ . 1 . 2]" 1
2646 2 91 GLU QG 2 92 ASN H 4.540 . 4.540 3.126 2.143 4.090 . 0 0 "[ . 1 . 2]" 1
2647 2 91 GLU QG 2 93 SER H 4.590 . 4.590 3.987 3.007 4.902 0.312 7 0 "[ . 1 . 2]" 1
2648 2 92 ASN H 2 92 ASN QB 3.520 . 3.520 2.363 2.273 2.818 . 0 0 "[ . 1 . 2]" 1
2649 2 92 ASN H 2 93 SER H 4.540 . 4.540 3.961 3.665 4.339 . 0 0 "[ . 1 . 2]" 1
2650 2 92 ASN QB 2 93 SER H 4.070 . 4.070 3.967 3.691 4.073 0.003 3 0 "[ . 1 . 2]" 1
2651 2 92 ASN HB2 2 93 SER H 4.720 . 4.720 4.594 4.264 4.685 . 0 0 "[ . 1 . 2]" 1
2652 2 92 ASN HB3 2 93 SER H 4.720 . 4.720 4.351 3.922 4.626 . 0 0 "[ . 1 . 2]" 1
2653 2 93 SER H 2 93 SER QB 3.180 . 3.180 2.617 2.271 3.214 0.034 11 0 "[ . 1 . 2]" 1
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