NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607133 |
5jtm   |
30081 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jtm
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 1584
_Distance_constraint_stats_list.Viol_count 5848
_Distance_constraint_stats_list.Viol_total 88529.570
_Distance_constraint_stats_list.Viol_max 6.401
_Distance_constraint_stats_list.Viol_rms 0.5651
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1397
_Distance_constraint_stats_list.Viol_average_violations_only 0.7569
_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 9 MET 96.299 5.127 16 20 [***************+*-**]
1 10 THR 18.383 1.778 20 8 "[*-* . **1 * *+]"
1 11 PHE 41.230 4.869 9 19 "[ ****-**+***********]"
1 12 GLN 3.903 0.686 7 1 "[ . + 1 . 2]"
1 13 ILE 2.638 0.277 16 0 "[ . 1 . 2]"
1 14 GLN 10.603 0.692 6 10 "[* ***+ 1* * .**- 2]"
1 15 ARG 8.817 0.540 13 4 "[ * 1 -+ .* 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 2.005 0.185 13 0 "[ . 1 . 2]"
1 18 THR 0.062 0.062 7 0 "[ . 1 . 2]"
1 19 LYS 11.334 0.750 17 13 "[ ***.****- * **+ *2]"
1 20 ASP 8.277 0.531 8 4 "[ - .* + 1 . * 2]"
1 21 ILE 3.864 0.287 12 0 "[ . 1 . 2]"
1 22 SER 3.864 0.287 12 0 "[ . 1 . 2]"
1 23 PHE 2.202 0.306 11 0 "[ . 1 . 2]"
1 24 GLU 1.666 0.306 11 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 9.010 0.909 19 3 "[ . 1 *- +2]"
1 30 HIS 18.043 0.909 19 7 "[* .* 1 *-** +2]"
1 31 VAL 11.198 1.064 13 7 "[ * . * 1 *+*.* *2]"
1 32 PHE 9.091 0.733 6 6 "[* .+ 1 -** *2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.402 0.129 17 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TRP 12.259 1.064 13 7 "[ * . * 1 *+*.* *2]"
1 37 GLN 2.047 0.293 12 0 "[ . 1 . 2]"
1 39 GLU 10.488 1.362 20 7 "[* * * * 1 - . * +]"
1 40 VAL 7.622 0.855 13 5 "[ - . *1 + . ** 2]"
1 41 LYS 12.248 0.904 10 5 "[ . *+* - * 2]"
1 42 LEU 12.886 1.511 3 7 "[* +*-** 1 * . 2]"
1 43 ASP 12.890 1.262 10 12 "[ * .** *+-**** * *2]"
1 44 LEU 25.830 1.860 20 13 "[* ****** 1****.* +]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 6.717 0.488 13 0 "[ . 1 . 2]"
1 48 SER 7.739 0.488 13 0 "[ . 1 . 2]"
1 49 SER 3.845 0.877 1 2 "[+ . 1 .- 2]"
1 50 GLN 0.081 0.027 19 0 "[ . 1 . 2]"
1 51 LEU 2.136 0.580 2 2 "[ + . 1 . -]"
1 52 ALA 0.524 0.159 7 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 30.673 3.991 5 10 "[ *+****** * - 2]"
1 55 VAL 43.567 3.739 8 10 "[ ****+*** - * 2]"
1 56 TYR 124.357 5.525 12 20 [***********+**-*****]
1 57 GLU 4.850 0.877 1 4 "[+* . 1 .* -]"
1 58 VAL 2.513 0.634 5 1 "[ + 1 . 2]"
1 59 VAL 1.839 0.374 1 0 "[ . 1 . 2]"
1 60 LEU 38.554 3.452 6 17 "[* **-+***1** *******]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 VAL 2.492 0.368 5 0 "[ . 1 . 2]"
1 63 THR 0.130 0.078 3 0 "[ . 1 . 2]"
1 64 VAL 7.050 0.622 8 3 "[* - . + 1 . 2]"
1 65 THR 7.522 0.904 10 5 "[ . *+* - * 2]"
1 66 ALA 6.296 0.476 13 0 "[ . 1 . 2]"
1 67 SER 19.534 1.362 20 12 "[*** - ** 1 ***.* * +]"
1 68 LEU 11.932 0.646 3 8 "[-*+*. 1** .* * 2]"
1 69 GLY 20.302 0.886 8 11 "[** *- + 1****.* * 2]"
1 70 GLU 3.593 0.646 3 1 "[ + . 1 . 2]"
1 71 GLU 5.440 0.380 3 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 3.178 0.341 10 0 "[ . 1 . 2]"
1 74 PHE 0.005 0.005 15 0 "[ . 1 . 2]"
1 75 LEU 0.023 0.023 14 0 "[ . 1 . 2]"
1 76 CYS 5.895 0.476 13 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 7.876 0.622 8 3 "[* - . + 1 . 2]"
1 79 GLN 21.434 0.750 17 13 "[ -**.***** * **+ *2]"
1 80 GLN 1.307 0.368 5 0 "[ . 1 . 2]"
1 81 GLY 2.005 0.185 13 0 "[ . 1 . 2]"
1 82 GLY 5.694 0.637 9 2 "[ - +1 . 2]"
1 83 ILE 16.719 0.598 11 9 "[* *** 1+-* .* * 2]"
1 84 PHE 1.940 0.634 5 1 "[ + 1 . 2]"
1 85 SER 1.647 0.692 6 2 "[ .+ 1 . - 2]"
1 86 ILE 114.730 5.384 3 20 [**+*******-*********]
1 87 ALA 29.386 1.974 1 18 "[+***** -***********]"
1 88 GLY 42.408 1.691 10 20 [*********+******-***]
1 89 ILE 63.904 3.123 9 20 [********+*******-***]
1 90 GLU 2.004 0.298 7 0 "[ . 1 . 2]"
1 91 GLY 12.381 1.594 12 7 "[ * **-**1 + . 2]"
1 92 THR 0.923 0.491 9 0 "[ . 1 . 2]"
1 93 GLN 0.105 0.105 9 0 "[ . 1 . 2]"
1 94 MET 62.883 5.355 8 20 [*******+*-**********]
1 95 ALA 12.359 1.950 3 7 "[ + .* **- *. *2]"
1 96 HIS 9.078 0.723 16 6 "[* *. *1 .+ * -]"
1 97 CYS 2.859 0.435 2 0 "[ . 1 . 2]"
1 98 LEU 129.126 4.189 6 20 [*****+*************-]
1 99 GLY 23.131 0.944 10 16 "[ *-******+* * *** **]"
1 100 ALA 19.269 0.923 10 16 "[ *-*****+*** **** *]"
1 101 TYR 5.978 1.935 1 1 "[+ . 1 . 2]"
1 102 CYS 43.734 0.948 11 19 "[ **-******+*********]"
1 109 TYR 0.115 0.056 10 0 "[ . 1 . 2]"
1 110 ALA 1.877 0.169 14 0 "[ . 1 . 2]"
1 111 ARG 1.674 0.169 14 0 "[ . 1 . 2]"
1 112 GLU 1.224 0.415 5 0 "[ . 1 . 2]"
1 113 CYS 0.209 0.118 3 0 "[ . 1 . 2]"
1 114 ILE 0.072 0.072 19 0 "[ . 1 . 2]"
1 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.072 0.072 19 0 "[ . 1 . 2]"
1 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLY 6.182 0.359 15 0 "[ . 1 . 2]"
1 122 THR 1.694 0.247 10 0 "[ . 1 . 2]"
1 123 PHE 4.335 0.359 15 0 "[ . 1 . 2]"
1 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 5.151 0.561 14 1 "[ . 1 +. 2]"
1 127 ASN 3.392 0.414 18 0 "[ . 1 . 2]"
1 128 LEU 30.736 1.411 7 18 "[ *-***+ ************]"
1 129 ALA 16.184 1.411 7 12 "[ * ** + *** ** ***]"
1 131 VAL 2.552 1.200 8 2 "[ .- + 1 . 2]"
1 133 PHE 46.883 4.186 20 20 [*****-*************+]
1 134 ASP 0.691 0.181 6 0 "[ . 1 . 2]"
1 135 ALA 2.643 0.300 17 0 "[ . 1 . 2]"
1 136 LEU 36.530 2.553 2 20 [*+*-****************]
1 137 PHE 123.814 3.746 2 20 [*+*******-**********]
1 138 MET 0.945 0.204 17 0 "[ . 1 . 2]"
1 139 ASN 0.545 0.155 11 0 "[ . 1 . 2]"
1 140 TYR 3.428 0.344 5 0 "[ . 1 . 2]"
1 141 LEU 2.205 0.320 16 0 "[ . 1 . 2]"
2 9 MET 107.236 6.377 19 20 [**************-***+*]
2 10 THR 4.821 0.460 16 0 "[ . 1 . 2]"
2 11 PHE 10.854 0.893 20 5 "[ . 1 -** *+]"
2 12 GLN 7.588 0.893 20 5 "[ . 1 -** *+]"
2 13 ILE 1.526 0.210 13 0 "[ . 1 . 2]"
2 14 GLN 8.267 0.524 12 1 "[ . 1 + . 2]"
2 15 ARG 4.758 0.309 20 0 "[ . 1 . 2]"
2 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 TYR 0.336 0.134 11 0 "[ . 1 . 2]"
2 18 THR 3.541 0.266 13 0 "[ . 1 . 2]"
2 19 LYS 0.143 0.074 11 0 "[ . 1 . 2]"
2 20 ASP 0.069 0.037 6 0 "[ . 1 . 2]"
2 21 ILE 0.536 0.160 15 0 "[ . 1 . 2]"
2 22 SER 0.677 0.147 3 0 "[ . 1 . 2]"
2 23 PHE 2.772 0.249 7 0 "[ . 1 . 2]"
2 24 GLU 0.667 0.193 2 0 "[ . 1 . 2]"
2 25 ALA 0.502 0.098 12 0 "[ . 1 . 2]"
2 27 ASN 11.784 0.925 16 15 "[****-*** 1** *.+ ***]"
2 28 ALA 11.372 0.916 12 5 "[ *. 1*+ .* -2]"
2 30 HIS 9.670 0.916 12 5 "[ *. 1*+ .* -2]"
2 31 VAL 14.463 0.925 16 15 "[****-*** 1** *.+ ***]"
2 32 PHE 0.709 0.253 4 0 "[ . 1 . 2]"
2 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 ASP 5.273 0.583 3 3 "[ + . 1 * - 2]"
2 36 TRP 6.170 0.583 3 3 "[ + . 1 * - 2]"
2 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 GLU 0.359 0.260 11 0 "[ . 1 . 2]"
2 40 VAL 2.976 0.380 3 0 "[ . 1 . 2]"
2 41 LYS 1.667 0.380 3 0 "[ . 1 . 2]"
2 42 LEU 5.069 1.634 6 2 "[ .+ 1 .- 2]"
2 43 ASP 10.858 1.158 3 5 "[* + * 1 * -. 2]"
2 44 LEU 34.809 2.663 12 12 "[*** ** 1-+ *.*** *]"
2 45 ASP 2.182 0.280 16 0 "[ . 1 . 2]"
2 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ALA 2.996 0.321 17 0 "[ . 1 . 2]"
2 48 SER 3.118 0.412 19 0 "[ . 1 . 2]"
2 49 SER 6.482 0.770 15 1 "[ . 1 + 2]"
2 50 GLN 3.410 0.522 7 1 "[ . + 1 . 2]"
2 51 LEU 11.705 1.052 4 9 "[ +.*** 1 *-* **2]"
2 52 ALA 0.103 0.030 7 0 "[ . 1 . 2]"
2 53 ASP 0.049 0.030 7 0 "[ . 1 . 2]"
2 54 ASP 0.044 0.044 15 0 "[ . 1 . 2]"
2 55 VAL 0.704 0.219 12 0 "[ . 1 . 2]"
2 56 TYR 212.191 5.381 4 20 [***+*-**************]
2 57 GLU 13.217 1.052 4 9 "[ +.*-* 1 *** **2]"
2 58 VAL 25.510 1.921 13 10 "[ *-* *1* +**** 2]"
2 59 VAL 7.112 0.770 15 3 "[ - *1 + 2]"
2 60 LEU 31.827 3.301 3 16 "[**+ *** *-******* *]"
2 61 ARG 1.327 0.321 17 0 "[ . 1 . 2]"
2 62 VAL 2.296 0.695 6 1 "[ .+ 1 . 2]"
2 63 THR 4.134 0.345 14 0 "[ . 1 . 2]"
2 64 VAL 9.463 0.842 19 1 "[ . 1 . +2]"
2 65 THR 6.670 0.490 13 0 "[ . 1 . 2]"
2 66 ALA 3.420 0.271 14 0 "[ . 1 . 2]"
2 67 SER 0.359 0.260 11 0 "[ . 1 . 2]"
2 68 LEU 9.033 0.420 6 0 "[ . 1 . 2]"
2 69 GLY 1.917 0.308 10 0 "[ . 1 . 2]"
2 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 GLU 4.174 0.420 6 0 "[ . 1 . 2]"
2 72 THR 2.661 0.350 4 0 "[ . 1 . 2]"
2 73 ALA 3.273 0.319 12 0 "[ . 1 . 2]"
2 74 PHE 2.250 0.271 14 0 "[ . 1 . 2]"
2 75 LEU 0.180 0.033 3 0 "[ . 1 . 2]"
2 76 CYS 3.623 0.415 15 0 "[ . 1 . 2]"
2 77 GLU 2.313 0.249 7 0 "[ . 1 . 2]"
2 78 VAL 0.516 0.101 1 0 "[ . 1 . 2]"
2 79 GLN 0.074 0.074 11 0 "[ . 1 . 2]"
2 80 GLN 0.569 0.164 6 0 "[ . 1 . 2]"
2 81 GLY 0.336 0.134 11 0 "[ . 1 . 2]"
2 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ILE 7.376 0.524 12 1 "[ . 1 + . 2]"
2 84 PHE 98.347 4.052 14 17 "[******* *****+.-* **]"
2 85 SER 0.029 0.029 16 0 "[ . 1 . 2]"
2 86 ILE 195.146 6.401 5 20 [****+********-******]
2 87 ALA 68.096 4.922 11 18 "[** *******+***-*** *]"
2 88 GLY 59.697 5.189 11 19 "[**********+******- *]"
2 89 ILE 46.599 3.211 17 18 "[** ***********.*+*-*]"
2 90 GLU 0.732 0.220 14 0 "[ . 1 . 2]"
2 91 GLY 11.205 1.628 11 12 "[ ** ***-+* ** * *]"
2 92 THR 9.652 0.652 11 2 "[ . - 1+ . 2]"
2 93 GLN 1.212 0.154 3 0 "[ . 1 . 2]"
2 94 MET 251.468 5.315 3 20 [**+***-*************]
2 95 ALA 18.549 1.628 11 14 "[ * ******-+* ** * *]"
2 96 HIS 3.704 0.530 4 1 "[ +. 1 . 2]"
2 97 CYS 7.620 0.854 4 3 "[ +.* 1 - 2]"
2 98 LEU 139.962 4.564 12 20 [***-*******+********]
2 99 GLY 17.003 0.756 5 5 "[** + 1 * - 2]"
2 100 ALA 11.349 0.625 12 3 "[* . -1 + . 2]"
2 101 TYR 8.505 0.658 5 3 "[ * + 1 - 2]"
2 102 CYS 12.331 0.756 5 4 "[* + -1 * . 2]"
2 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 110 ALA 2.529 0.200 11 0 "[ . 1 . 2]"
2 111 ARG 2.529 0.200 11 0 "[ . 1 . 2]"
2 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 119 SER 0.035 0.035 14 0 "[ . 1 . 2]"
2 121 GLY 4.712 0.534 19 1 "[ . 1 . +2]"
2 122 THR 0.062 0.062 7 0 "[ . 1 . 2]"
2 123 PHE 4.769 0.534 19 1 "[ . 1 . +2]"
2 125 GLN 0.504 0.394 1 0 "[ . 1 . 2]"
2 126 LEU 9.208 0.730 18 5 "[ . -* ** + 2]"
2 127 ASN 7.837 0.730 18 4 "[ . -* .* + 2]"
2 128 LEU 2.545 0.842 19 2 "[- . 1 . +2]"
2 129 ALA 0.087 0.087 6 0 "[ . 1 . 2]"
2 131 VAL 1.716 0.712 4 2 "[ - +. 1 . 2]"
2 133 PHE 57.133 3.040 16 20 [**************-+****]
2 134 ASP 4.172 0.258 6 0 "[ . 1 . 2]"
2 135 ALA 9.801 0.591 18 4 "[ * . 1 - *+ 2]"
2 136 LEU 38.077 2.615 5 16 "[* **+- **** *** ****]"
2 137 PHE 144.441 4.804 7 20 [*****-+*************]
2 138 MET 0.126 0.115 10 0 "[ . 1 . 2]"
2 139 ASN 0.004 0.004 8 0 "[ . 1 . 2]"
2 140 TYR 0.693 0.303 8 0 "[ . 1 . 2]"
2 141 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
3 9 MET 86.996 4.623 10 20 [******-**+**********]
3 10 THR 25.324 1.910 12 14 "[***** * *1*+ -.** **]"
3 11 PHE 17.730 0.979 13 15 "[** *-* ****+** * **]"
3 12 GLN 7.072 0.661 15 2 "[ - 1 + 2]"
3 13 ILE 3.850 0.377 16 0 "[ . 1 . 2]"
3 14 GLN 0.244 0.244 13 0 "[ . 1 . 2]"
3 15 ARG 0.244 0.244 13 0 "[ . 1 . 2]"
3 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 17 TYR 1.862 0.309 11 0 "[ . 1 . 2]"
3 18 THR 0.101 0.063 1 0 "[ . 1 . 2]"
3 19 LYS 8.829 0.712 5 6 "[ * + * * *. -]"
3 20 ASP 1.401 0.172 5 0 "[ . 1 . 2]"
3 21 ILE 0.744 0.118 6 0 "[ . 1 . 2]"
3 22 SER 1.567 0.224 7 0 "[ . 1 . 2]"
3 23 PHE 1.523 0.364 11 0 "[ . 1 . 2]"
3 24 GLU 1.879 0.364 11 0 "[ . 1 . 2]"
3 25 ALA 0.036 0.036 20 0 "[ . 1 . 2]"
3 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 28 ALA 9.600 0.630 5 6 "[ * + 1 * *. * -2]"
3 30 HIS 12.451 0.630 5 6 "[ * + 1 * *. * -2]"
3 31 VAL 1.083 0.500 4 1 "[ +. 1 . 2]"
3 32 PHE 3.519 0.391 5 0 "[ . 1 . 2]"
3 33 GLN 0.197 0.100 19 0 "[ . 1 . 2]"
3 34 LYS 0.527 0.158 19 0 "[ . 1 . 2]"
3 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 36 TRP 9.812 0.952 14 5 "[ -. *1 * +. *]"
3 37 GLN 4.750 0.442 16 0 "[ . 1 . 2]"
3 39 GLU 10.110 1.112 13 8 "[ * * ** 1**+ . -]"
3 40 VAL 0.327 0.139 15 0 "[ . 1 . 2]"
3 41 LYS 1.146 0.277 2 0 "[ . 1 . 2]"
3 42 LEU 5.074 1.006 13 4 "[ . -* + . * 2]"
3 43 ASP 12.920 1.672 6 7 "[* -+ *1 ** . * 2]"
3 44 LEU 42.459 1.672 6 15 "[****-+* *1*** * ** *]"
3 45 ASP 2.728 0.464 2 0 "[ . 1 . 2]"
3 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 47 ALA 0.158 0.067 6 0 "[ . 1 . 2]"
3 48 SER 0.158 0.067 6 0 "[ . 1 . 2]"
3 49 SER 16.150 2.777 1 7 "[+ ** - * .** 2]"
3 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 51 LEU 1.962 0.250 9 0 "[ . 1 . 2]"
3 52 ALA 0.947 0.172 4 0 "[ . 1 . 2]"
3 53 ASP 0.007 0.007 19 0 "[ . 1 . 2]"
3 54 ASP 0.219 0.065 8 0 "[ . 1 . 2]"
3 55 VAL 3.066 0.250 9 0 "[ . 1 . 2]"
3 56 TYR 76.076 4.992 10 20 [*******-*+**********]
3 57 GLU 7.622 1.230 16 5 "[* ** - 1 .+ 2]"
3 58 VAL 3.772 0.468 17 0 "[ . 1 . 2]"
3 59 VAL 2.848 0.468 17 0 "[ . 1 . 2]"
3 60 LEU 33.916 3.366 9 16 "[********+1-** * * **]"
3 61 ARG 1.457 0.496 17 0 "[ . 1 . 2]"
3 62 VAL 2.456 0.993 11 2 "[ . 1+ . - 2]"
3 63 THR 3.884 0.586 9 1 "[ . +1 . 2]"
3 64 VAL 0.161 0.097 17 0 "[ . 1 . 2]"
3 65 THR 1.112 0.277 2 0 "[ . 1 . 2]"
3 66 ALA 1.239 0.363 13 0 "[ . 1 . 2]"
3 67 SER 9.432 1.112 13 8 "[ * * ** 1**+ . -]"
3 68 LEU 16.571 0.762 2 15 "[*+ *******- *** **]"
3 69 GLY 8.136 0.423 6 0 "[ . 1 . 2]"
3 70 GLU 18.318 0.762 2 14 "[*+ ** ****- *** **]"
3 71 GLU 4.700 0.259 8 0 "[ . 1 . 2]"
3 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 73 ALA 2.106 0.718 7 1 "[ . + 1 . 2]"
3 74 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
3 75 LEU 0.671 0.217 20 0 "[ . 1 . 2]"
3 76 CYS 0.314 0.070 8 0 "[ . 1 . 2]"
3 77 GLU 1.405 0.224 7 0 "[ . 1 . 2]"
3 78 VAL 0.603 0.196 13 0 "[ . 1 . 2]"
3 79 GLN 7.759 0.712 5 6 "[ * + * * *. -]"
3 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 81 GLY 0.101 0.063 1 0 "[ . 1 . 2]"
3 82 GLY 2.336 0.309 11 0 "[ . 1 . 2]"
3 83 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 84 PHE 1.630 0.417 3 0 "[ . 1 . 2]"
3 85 SER 0.527 0.199 18 0 "[ . 1 . 2]"
3 86 ILE 125.631 5.075 13 20 [************+****-**]
3 87 ALA 41.294 3.813 1 17 "[+** ** * *-*********]"
3 88 GLY 24.915 3.989 6 9 "[* .+ ** - ****]"
3 89 ILE 21.422 2.460 6 10 "[* .+ *** -* * **]"
3 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
3 91 GLY 6.447 1.107 3 5 "[ + . 1 * - * *2]"
3 92 THR 0.737 0.264 11 0 "[ . 1 . 2]"
3 93 GLN 0.129 0.129 5 0 "[ . 1 . 2]"
3 94 MET 80.834 3.989 6 20 [*****+********-*****]
3 95 ALA 4.926 0.829 17 4 "[ . 1 * - + *2]"
3 96 HIS 6.806 0.469 16 0 "[ . 1 . 2]"
3 97 CYS 1.767 0.333 1 0 "[ . 1 . 2]"
3 98 LEU 100.889 4.413 6 20 [*****+*****-********]
3 99 GLY 8.523 0.532 6 2 "[ .+ 1 - . 2]"
3 100 ALA 5.350 0.394 5 0 "[ . 1 . 2]"
3 101 TYR 1.379 0.167 10 0 "[ . 1 . 2]"
3 102 CYS 12.933 0.979 13 11 "[** *.* ** *+*. * -2]"
3 109 TYR 0.927 0.415 5 0 "[ . 1 . 2]"
3 110 ALA 1.282 0.145 19 0 "[ . 1 . 2]"
3 111 ARG 1.282 0.145 19 0 "[ . 1 . 2]"
3 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
3 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
3 118 VAL 0.253 0.101 1 0 "[ . 1 . 2]"
3 119 SER 0.253 0.101 1 0 "[ . 1 . 2]"
3 121 GLY 8.039 0.657 4 7 "[ +.** 1 ** -* 2]"
3 122 THR 0.553 0.169 19 0 "[ . 1 . 2]"
3 123 PHE 8.051 0.657 4 7 "[ +.** 1 ** -* 2]"
3 125 GLN 0.504 0.394 1 0 "[ . 1 . 2]"
3 126 LEU 10.978 0.952 14 7 "[ . *1** +.** -]"
3 127 ASN 2.937 0.359 19 0 "[ . 1 . 2]"
3 128 LEU 9.784 1.524 8 6 "[ *-* + 1* *. 2]"
3 129 ALA 7.634 1.524 8 6 "[ *-* + 1* *. 2]"
3 131 VAL 3.199 1.088 9 3 "[ . *+1 -. 2]"
3 133 PHE 34.553 2.977 6 19 "[*****+***** ****-***]"
3 134 ASP 1.189 0.184 5 0 "[ . 1 . 2]"
3 135 ALA 4.777 1.935 1 2 "[+ . 1 -. 2]"
3 136 LEU 73.368 4.800 12 19 "[***-*******+***** **]"
3 137 PHE 144.106 4.877 10 20 [*********+-*********]
3 138 MET 4.236 0.822 14 1 "[ . 1 +. 2]"
3 139 ASN 19.580 1.429 12 15 "[ ***.* * **+***** *-]"
3 140 TYR 60.804 4.800 12 16 "[***-.* * **+***** **]"
3 141 LEU 0.060 0.050 9 0 "[ . 1 . 2]"
4 9 MET 91.607 5.884 13 20 [***-********+*******]
4 10 THR 4.564 0.812 11 3 "[ . - 1+ . * 2]"
4 11 PHE 11.618 0.540 1 4 "[+ *. - 1 . *]"
4 12 GLN 10.525 0.540 1 3 "[+ -. 1 . *]"
4 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 14 GLN 13.995 0.899 11 17 "[******* **+** *** -*]"
4 15 ARG 9.915 0.751 11 5 "[ * * 1+- * 2]"
4 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 17 TYR 0.572 0.240 19 0 "[ . 1 . 2]"
4 18 THR 0.993 0.240 19 0 "[ . 1 . 2]"
4 19 LYS 10.813 0.914 2 10 "[ +* .*** -*** . *2]"
4 20 ASP 8.747 0.621 2 5 "[ + .** 1 *- . 2]"
4 21 ILE 1.602 0.149 4 0 "[ . 1 . 2]"
4 22 SER 1.602 0.149 4 0 "[ . 1 . 2]"
4 23 PHE 0.421 0.175 19 0 "[ . 1 . 2]"
4 24 GLU 0.401 0.175 19 0 "[ . 1 . 2]"
4 25 ALA 0.100 0.100 10 0 "[ . 1 . 2]"
4 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 28 ALA 16.812 0.979 5 19 "[*- *+***************]"
4 30 HIS 16.197 0.979 5 19 "[*- *+***************]"
4 31 VAL 2.774 0.262 4 0 "[ . 1 . 2]"
4 32 PHE 1.551 0.229 13 0 "[ . 1 . 2]"
4 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
4 35 ASP 13.432 0.846 18 7 "[** . ** -* + 2]"
4 36 TRP 16.090 0.850 7 8 "[** . + ** -* * 2]"
4 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 39 GLU 14.686 1.070 8 16 "[** .**+****-** ****]"
4 40 VAL 0.052 0.052 11 0 "[ . 1 . 2]"
4 41 LYS 0.298 0.141 8 0 "[ . 1 . 2]"
4 42 LEU 13.974 1.800 14 8 "[ *.* ** +.*- *]"
4 43 ASP 1.840 0.267 5 0 "[ . 1 . 2]"
4 44 LEU 27.090 1.800 14 14 "[ - ******* *+.*** *]"
4 45 ASP 3.360 0.503 2 1 "[ + . 1 . 2]"
4 46 THR 0.007 0.007 1 0 "[ . 1 . 2]"
4 47 ALA 0.070 0.070 14 0 "[ . 1 . 2]"
4 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 49 SER 2.840 0.297 1 0 "[ . 1 . 2]"
4 50 GLN 19.440 3.897 5 6 "[ *+ - 1 * * *2]"
4 51 LEU 3.464 0.230 15 0 "[ . 1 . 2]"
4 52 ALA 3.301 0.230 15 0 "[ . 1 . 2]"
4 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 54 ASP 0.234 0.056 15 0 "[ . 1 . 2]"
4 55 VAL 6.526 0.397 1 0 "[ . 1 . 2]"
4 56 TYR 83.511 4.977 20 18 "[****-* ******** ***+]"
4 57 GLU 1.183 0.205 3 0 "[ . 1 . 2]"
4 58 VAL 7.143 0.534 14 1 "[ . 1 +. 2]"
4 59 VAL 5.044 0.460 9 0 "[ . 1 . 2]"
4 60 LEU 31.841 2.448 18 16 "[ * ******* *****+-*]"
4 61 ARG 0.007 0.007 1 0 "[ . 1 . 2]"
4 62 VAL 2.120 0.265 6 0 "[ . 1 . 2]"
4 63 THR 1.041 0.106 12 0 "[ . 1 . 2]"
4 64 VAL 6.135 0.588 9 3 "[ . -+1* . 2]"
4 65 THR 0.876 0.156 9 0 "[ . 1 . 2]"
4 66 ALA 2.903 0.344 8 0 "[ . 1 . 2]"
4 67 SER 13.687 1.070 8 16 "[** .**+****-** ****]"
4 68 LEU 7.755 0.575 5 5 "[ - + * * . *2]"
4 69 GLY 2.658 0.850 7 1 "[ . + 1 . 2]"
4 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 71 GLU 7.160 0.575 5 5 "[ - + * * . *2]"
4 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
4 74 PHE 2.018 0.223 18 0 "[ . 1 . 2]"
4 75 LEU 0.113 0.036 14 0 "[ . 1 . 2]"
4 76 CYS 0.868 0.156 9 0 "[ . 1 . 2]"
4 77 GLU 1.168 0.222 11 0 "[ . 1 . 2]"
4 78 VAL 4.941 0.588 9 3 "[ . -+1* . 2]"
4 79 GLN 18.310 0.914 2 10 "[ +* .*** ***- . *2]"
4 80 GLN 0.960 0.265 6 0 "[ . 1 . 2]"
4 81 GLY 0.085 0.085 4 0 "[ . 1 . 2]"
4 82 GLY 0.218 0.162 7 0 "[ . 1 . 2]"
4 83 ILE 21.961 0.899 11 17 "[******* **+-* *** **]"
4 84 PHE 5.133 0.534 14 1 "[ . 1 +. 2]"
4 85 SER 1.312 0.299 19 0 "[ . 1 . 2]"
4 86 ILE 132.652 6.108 17 19 "[*** -***********+***]"
4 87 ALA 6.155 0.812 11 3 "[ . - 1+ . * 2]"
4 88 GLY 9.633 0.533 13 3 "[ . 1 +-. *]"
4 89 ILE 8.299 0.533 13 3 "[ . 1 +-. *]"
4 90 GLU 0.803 0.365 20 0 "[ . 1 . 2]"
4 91 GLY 0.417 0.417 11 0 "[ . 1 . 2]"
4 92 THR 3.598 0.378 7 0 "[ . 1 . 2]"
4 93 GLN 3.306 0.456 12 0 "[ . 1 . 2]"
4 94 MET 64.207 4.354 13 18 "[*-*** ******+******2]"
4 95 ALA 2.821 0.533 14 1 "[ . 1 +. 2]"
4 96 HIS 4.772 0.456 12 0 "[ . 1 . 2]"
4 97 CYS 0.085 0.079 16 0 "[ . 1 . 2]"
4 98 LEU 110.161 4.678 7 20 [******+******-******]
4 99 GLY 2.254 0.795 4 1 "[ +. 1 . 2]"
4 100 ALA 5.326 0.739 4 2 "[ +. 1 - 2]"
4 101 TYR 0.557 0.164 4 0 "[ . 1 . 2]"
4 102 CYS 8.575 0.795 4 3 "[ +. - 1 * 2]"
4 109 TYR 0.020 0.020 10 0 "[ . 1 . 2]"
4 110 ALA 1.817 0.156 10 0 "[ . 1 . 2]"
4 111 ARG 2.296 0.156 10 0 "[ . 1 . 2]"
4 112 GLU 0.391 0.139 12 0 "[ . 1 . 2]"
4 113 CYS 1.378 0.165 2 0 "[ . 1 . 2]"
4 114 ILE 0.005 0.005 20 0 "[ . 1 . 2]"
4 115 THR 0.353 0.165 2 0 "[ . 1 . 2]"
4 116 SER 0.040 0.025 2 0 "[ . 1 . 2]"
4 117 MET 0.002 0.002 1 0 "[ . 1 . 2]"
4 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
4 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 121 GLY 4.810 0.348 5 0 "[ . 1 . 2]"
4 122 THR 0.101 0.056 7 0 "[ . 1 . 2]"
4 123 PHE 4.911 0.348 5 0 "[ . 1 . 2]"
4 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 126 LEU 6.859 1.382 12 6 "[ *.* * +- * 2]"
4 127 ASN 0.005 0.005 5 0 "[ . 1 . 2]"
4 128 LEU 10.066 1.626 4 8 "[* +.** 1 *- * *]"
4 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
4 131 VAL 20.765 2.278 2 13 "[*+ *** 1* ***-* **]"
4 133 PHE 68.852 5.508 5 20 [****+*************-*]
4 134 ASP 4.279 0.429 17 0 "[ . 1 . 2]"
4 135 ALA 0.753 0.276 8 0 "[ . 1 . 2]"
4 136 LEU 58.527 2.670 17 19 "[***************-+ **]"
4 137 PHE 98.295 4.272 14 20 [**********-**+******]
4 138 MET 5.472 0.495 8 0 "[ . 1 . 2]"
4 139 ASN 3.482 0.498 4 0 "[ . 1 . 2]"
4 140 TYR 0.849 0.206 7 0 "[ . 1 . 2]"
4 141 LEU 1.788 0.495 8 0 "[ . 1 . 2]"
5 6 ILE 1.229 0.561 14 1 "[ . 1 +. 2]"
5 8 LEU 1.544 1.024 6 1 "[ .+ 1 . 2]"
5 10 LEU 8.350 1.605 1 8 "[+ * .* 1*** .* -]"
5 11 LEU 56.818 2.553 2 20 [*+*******-**********]
5 12 PRO 128.402 4.186 20 20 [****************-**+]
5 15 PHE 49.655 3.538 12 19 [*****-*****+*******2]
5 19 THR 282.691 5.525 12 20 [**********-+********]
5 22 ARG 74.916 4.606 7 20 [******+**-**********]
6 6 ILE 0.720 0.691 15 1 "[ . 1 + 2]"
6 8 LEU 1.590 0.774 16 2 "[- . 1 .+ 2]"
6 10 LEU 10.716 2.663 12 9 "[* * ** 1-+ . ** *]"
6 11 LEU 49.779 2.615 5 19 "[* **+-**************]"
6 12 PRO 130.989 4.146 9 20 [********+*-*********]
6 15 PHE 66.799 4.804 7 20 [*****-+*************]
6 19 THR 415.964 6.401 5 20 [****+******-********]
6 22 ARG 110.282 4.655 16 20 [*****-*********+****]
7 6 ILE 2.727 0.931 16 3 "[ . 1* .+- 2]"
7 8 LEU 2.223 0.923 17 2 "[ . - . + 2]"
7 10 LEU 12.570 1.492 18 10 "[****.- *1 * * + *]"
7 11 LEU 54.240 2.462 5 20 [****+*****-*********]
7 12 PRO 118.660 4.234 16 20 [*****-*********+****]
7 15 PHE 70.768 4.877 10 20 [*********+*******-**]
7 19 THR 322.060 5.075 13 20 [**********-*+*******]
7 22 ARG 81.443 4.413 6 20 [*****+************-*]
8 6 ILE 2.395 1.295 10 2 "[ -. + . 2]"
8 8 LEU 10.946 1.745 4 6 "[- +.** 1 . * *]"
8 10 LEU 5.110 1.135 7 3 "[ . + 1 - . * 2]"
8 11 LEU 34.506 2.670 17 20 [****************+**-]
8 12 PRO 130.582 5.508 5 20 [****+*-*************]
8 15 PHE 38.968 4.272 14 18 "[***********-*+*** *2]"
8 19 THR 355.604 6.108 17 20 [***-************+***]
8 22 ARG 93.800 4.678 7 20 [****-*+*************]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 MET H 1 10 THR H 3.280 . 4.760 4.455 4.048 4.656 . 0 0 "[ . 1 . 2]" 1
2 1 9 MET H 1 89 ILE H 3.240 . 4.680 5.517 4.015 7.803 3.123 9 10 "[* **. **+1 .**- *]" 1
3 1 9 MET ME 1 10 THR H 2.810 . 3.820 3.570 2.778 5.566 1.746 9 2 "[ - . +1 . 2]" 1
4 1 9 MET ME 1 11 PHE H 3.360 . 4.920 5.288 3.894 8.869 3.949 9 7 "[ * . * +1* - * *]" 1
5 1 9 MET ME 1 11 PHE QD 3.250 . 4.700 4.482 2.790 9.569 4.869 9 4 "[ * . +1 - *]" 1
6 1 9 MET ME 5 19 THR MG 3.530 . 5.250 7.840 4.993 10.377 5.127 16 18 "[******** * ****+-***]" 1
7 1 10 THR H 1 11 PHE H 2.900 . 4.000 4.165 3.840 4.395 0.395 18 0 "[ . 1 . 2]" 1
8 1 10 THR H 1 87 ALA H 2.840 . 3.880 3.212 2.749 4.001 0.121 8 0 "[ . 1 . 2]" 1
9 1 10 THR H 1 88 GLY H 3.490 . 5.180 4.863 2.509 5.975 0.795 2 1 "[ + . 1 . 2]" 1
10 1 10 THR H 1 89 ILE H 3.300 . 4.800 5.081 4.149 6.578 1.778 20 8 "[*** . **1 * -+]" 1
11 1 11 PHE H 1 12 GLN H 3.300 . 4.800 4.273 4.086 4.478 . 0 0 "[ . 1 . 2]" 1
12 1 11 PHE QD 1 12 GLN H 2.490 . 3.180 2.688 1.863 3.866 0.686 7 1 "[ . + 1 . 2]" 1
13 1 11 PHE QD 1 101 TYR QD 3.290 . 4.780 4.533 4.144 4.828 0.048 17 0 "[ . 1 . 2]" 1
14 1 11 PHE QD 1 101 TYR QE 3.140 . 4.480 2.808 2.510 3.872 . 0 0 "[ . 1 . 2]" 1
15 1 11 PHE QE 1 12 GLN H 3.120 . 4.440 4.181 3.731 4.909 0.469 7 0 "[ . 1 . 2]" 1
16 1 11 PHE QE 1 84 PHE QD 2.980 . 4.160 2.646 2.172 2.979 . 0 0 "[ . 1 . 2]" 1
17 1 11 PHE QE 1 84 PHE QE 3.360 . 4.920 4.210 3.739 4.431 . 0 0 "[ . 1 . 2]" 1
18 1 11 PHE QE 1 101 TYR QD 3.260 . 4.720 3.953 3.368 4.100 . 0 0 "[ . 1 . 2]" 1
19 1 11 PHE QE 1 101 TYR QE 3.420 . 5.040 2.397 2.014 3.232 . 0 0 "[ . 1 . 2]" 1
20 1 11 PHE QE 1 102 CYS H 3.370 . 4.940 5.679 4.870 5.888 0.948 11 18 "[ ****- ***+*********]" 1
21 1 12 GLN H 1 13 ILE H 2.840 . 3.880 3.989 3.592 4.157 0.277 16 0 "[ . 1 . 2]" 1
22 1 12 GLN H 1 85 SER H 2.810 . 3.820 3.165 2.427 3.930 0.110 11 0 "[ . 1 . 2]" 1
23 1 13 ILE H 1 14 GLN H 3.300 . 4.800 4.425 4.318 4.488 . 0 0 "[ . 1 . 2]" 1
24 1 14 GLN H 1 15 ARG H 2.090 . 2.380 2.392 2.331 2.558 0.178 7 0 "[ . 1 . 2]" 1
25 1 14 GLN H 1 83 ILE H 3.120 . 4.440 4.864 4.629 5.038 0.598 11 8 "[* *** 1+ * .* - 2]" 1
26 1 14 GLN H 1 84 PHE H 3.430 . 5.060 4.780 4.422 5.067 0.007 6 0 "[ . 1 . 2]" 1
27 1 14 GLN H 1 85 SER H 3.040 . 4.280 3.883 2.814 4.972 0.692 6 2 "[ .+ 1 . - 2]" 1
28 1 15 ARG H 1 16 ILE H 3.110 . 4.420 4.101 3.890 4.272 . 0 0 "[ . 1 . 2]" 1
29 1 15 ARG H 1 83 ILE H 2.450 . 3.100 3.512 3.370 3.640 0.540 13 4 "[ * 1 -+ .* 2]" 1
30 1 16 ILE H 1 17 TYR H 3.230 . 4.660 4.389 4.281 4.491 . 0 0 "[ . 1 . 2]" 1
31 1 17 TYR H 1 18 THR H 3.180 . 4.560 4.305 4.228 4.349 . 0 0 "[ . 1 . 2]" 1
32 1 17 TYR H 1 81 GLY H 2.830 . 3.860 3.958 3.821 4.045 0.185 13 0 "[ . 1 . 2]" 1
33 1 17 TYR QD 1 18 THR H 3.030 . 4.260 3.540 3.055 4.165 . 0 0 "[ . 1 . 2]" 1
34 1 17 TYR QD 2 32 PHE QE 3.040 . 4.280 3.538 3.296 3.752 . 0 0 "[ . 1 . 2]" 1
35 1 17 TYR QE 2 28 ALA MB 3.310 . 4.820 1.963 1.850 2.076 . 0 0 "[ . 1 . 2]" 1
36 1 17 TYR QE 2 32 PHE QE 3.130 . 4.460 2.847 2.618 2.943 . 0 0 "[ . 1 . 2]" 1
37 1 18 THR H 1 19 LYS H 3.250 . 4.700 4.391 4.292 4.542 . 0 0 "[ . 1 . 2]" 1
38 1 18 THR H 1 81 GLY H 3.490 . 5.180 4.826 4.560 4.978 . 0 0 "[ . 1 . 2]" 1
39 1 18 THR H 2 121 GLY H 3.230 . 4.660 4.268 4.012 4.624 . 0 0 "[ . 1 . 2]" 1
40 1 18 THR H 2 122 THR H 3.360 . 4.920 4.699 4.522 4.982 0.062 7 0 "[ . 1 . 2]" 1
41 1 19 LYS H 1 20 ASP H 2.020 . 2.240 2.236 2.053 2.345 0.105 19 0 "[ . 1 . 2]" 1
42 1 19 LYS H 1 59 VAL MG1 3.410 . 5.020 4.061 3.729 4.340 . 0 0 "[ . 1 . 2]" 1
43 1 19 LYS H 1 79 GLN H 3.070 . 4.340 4.882 4.599 5.090 0.750 17 13 "[ ***.****- * **+ *2]" 1
44 1 19 LYS H 1 81 GLY H 2.700 . 3.600 2.723 2.484 2.978 . 0 0 "[ . 1 . 2]" 1
45 1 20 ASP H 1 21 ILE H 3.170 . 4.540 4.207 4.080 4.288 . 0 0 "[ . 1 . 2]" 1
46 1 20 ASP H 1 79 GLN H 2.440 . 3.080 3.469 3.257 3.611 0.531 8 4 "[ - .* + 1 . * 2]" 1
47 1 21 ILE H 1 22 SER H 2.950 . 4.100 4.293 4.178 4.387 0.287 12 0 "[ . 1 . 2]" 1
48 1 21 ILE H 1 79 GLN H 3.500 . 5.200 4.795 4.606 4.986 . 0 0 "[ . 1 . 2]" 1
49 1 21 ILE H 2 23 PHE H 2.950 . 4.100 2.781 2.618 3.039 . 0 0 "[ . 1 . 2]" 1
50 1 22 SER H 1 23 PHE H 3.220 . 4.640 4.036 3.835 4.183 . 0 0 "[ . 1 . 2]" 1
51 1 22 SER H 1 77 GLU H 2.750 . 3.700 3.351 3.001 3.653 . 0 0 "[ . 1 . 2]" 1
52 1 22 SER H 1 78 VAL MG2 3.160 . 4.520 3.098 2.857 3.304 . 0 0 "[ . 1 . 2]" 1
53 1 22 SER H 1 117 MET ME 3.190 . 4.580 3.170 2.676 3.468 . 0 0 "[ . 1 . 2]" 1
54 1 23 PHE H 1 24 GLU H 3.140 . 4.480 4.252 4.037 4.427 . 0 0 "[ . 1 . 2]" 1
55 1 23 PHE H 2 21 ILE H 2.250 . 2.700 2.615 2.370 2.860 0.160 15 0 "[ . 1 . 2]" 1
56 1 23 PHE QD 1 24 GLU H 2.680 . 3.560 3.522 3.246 3.866 0.306 11 0 "[ . 1 . 2]" 1
57 1 23 PHE QD 1 25 ALA MB 3.490 . 5.180 4.098 3.930 4.253 . 0 0 "[ . 1 . 2]" 1
58 1 23 PHE QD 1 117 MET ME 3.300 . 4.800 2.552 2.368 2.879 . 0 0 "[ . 1 . 2]" 1
59 1 23 PHE QD 2 21 ILE H 2.950 . 4.100 3.527 2.698 3.972 . 0 0 "[ . 1 . 2]" 1
60 1 23 PHE QE 1 24 GLU H 3.290 . 4.780 4.530 4.169 4.960 0.180 7 0 "[ . 1 . 2]" 1
61 1 23 PHE QE 1 25 ALA MB 2.760 . 3.720 2.832 2.531 3.050 . 0 0 "[ . 1 . 2]" 1
62 1 23 PHE QE 1 74 PHE QD 3.440 . 5.080 3.231 2.771 3.560 . 0 0 "[ . 1 . 2]" 1
63 1 23 PHE QE 1 121 GLY H 3.270 . 4.740 4.187 3.933 4.468 . 0 0 "[ . 1 . 2]" 1
64 1 24 GLU H 1 25 ALA H 3.170 . 4.540 4.223 3.845 4.423 . 0 0 "[ . 1 . 2]" 1
65 1 24 GLU H 1 75 LEU H 2.510 . 3.220 2.730 2.560 3.013 . 0 0 "[ . 1 . 2]" 1
66 1 24 GLU H 2 21 ILE H 3.490 . 5.180 4.915 4.708 5.022 . 0 0 "[ . 1 . 2]" 1
67 1 25 ALA MB 1 28 ALA H 3.460 . 5.120 3.339 3.151 3.536 . 0 0 "[ . 1 . 2]" 1
68 1 25 ALA MB 1 28 ALA MB 3.120 . 4.440 1.951 1.821 2.092 . 0 0 "[ . 1 . 2]" 1
69 1 27 ASN H 1 28 ALA H 2.620 . 3.440 2.666 2.432 2.838 . 0 0 "[ . 1 . 2]" 1
70 1 28 ALA H 1 30 HIS H 2.860 . 3.920 4.368 4.210 4.829 0.909 19 3 "[ . 1 *- +2]" 1
71 1 28 ALA H 1 31 VAL H 3.340 . 4.880 4.803 4.724 4.938 0.058 19 0 "[ . 1 . 2]" 1
72 1 28 ALA MB 1 30 HIS H 3.410 . 5.020 4.385 4.281 4.673 . 0 0 "[ . 1 . 2]" 1
73 1 28 ALA MB 1 32 PHE QE 3.360 . 4.920 3.041 2.955 3.275 . 0 0 "[ . 1 . 2]" 1
74 1 28 ALA MB 2 17 TYR QD 3.270 . 4.740 2.959 2.548 3.354 . 0 0 "[ . 1 . 2]" 1
75 1 28 ALA MB 2 17 TYR QE 3.030 . 4.260 2.026 1.887 2.444 . 0 0 "[ . 1 . 2]" 1
76 1 30 HIS H 1 31 VAL H 2.120 . 2.440 2.281 2.106 2.391 . 0 0 "[ . 1 . 2]" 1
77 1 30 HIS H 1 31 VAL QG 3.520 . 5.240 3.829 3.611 4.061 . 0 0 "[ . 1 . 2]" 1
78 1 30 HIS H 1 32 PHE H 2.770 . 3.740 4.195 4.054 4.473 0.733 6 6 "[* .+ 1 -** *2]" 1
79 1 31 VAL H 1 32 PHE H 2.350 . 2.900 2.478 2.414 2.563 . 0 0 "[ . 1 . 2]" 1
80 1 31 VAL H 1 33 GLN H 3.140 . 4.480 4.133 3.958 4.466 . 0 0 "[ . 1 . 2]" 1
81 1 31 VAL H 1 34 LYS H 3.510 . 5.220 5.083 4.770 5.349 0.129 17 0 "[ . 1 . 2]" 1
82 1 31 VAL QG 1 32 PHE H 2.440 . 3.080 2.586 2.461 2.781 . 0 0 "[ . 1 . 2]" 1
83 1 31 VAL QG 1 32 PHE QD 3.060 . 4.320 3.025 2.775 3.450 . 0 0 "[ . 1 . 2]" 1
84 1 31 VAL QG 1 32 PHE QE 3.270 . 4.740 3.265 3.000 3.809 . 0 0 "[ . 1 . 2]" 1
85 1 31 VAL QG 1 36 TRP HE3 2.930 . 4.060 4.059 3.494 4.604 0.544 13 1 "[ . 1 + . 2]" 1
86 1 31 VAL QG 1 36 TRP HZ3 3.250 . 3.260 3.672 3.065 4.324 1.064 13 7 "[ * . * 1 -+*.* *2]" 1
87 1 31 VAL QG 1 68 LEU MD1 2.380 . 2.960 1.925 1.818 2.026 . 0 0 "[ . 1 . 2]" 1
88 1 31 VAL QG 1 68 LEU MD2 3.200 . 4.600 3.787 3.592 3.935 . 0 0 "[ . 1 . 2]" 1
89 1 31 VAL QG 1 73 ALA MB 2.940 . 4.080 2.497 2.230 2.844 . 0 0 "[ . 1 . 2]" 1
90 1 31 VAL QG 1 123 PHE QE 2.850 . 3.900 2.018 1.842 2.212 . 0 0 "[ . 1 . 2]" 1
91 1 32 PHE H 1 33 GLN H 2.310 . 2.820 2.514 2.354 2.626 . 0 0 "[ . 1 . 2]" 1
92 1 32 PHE H 1 34 LYS H 3.250 . 4.700 3.937 3.705 4.158 . 0 0 "[ . 1 . 2]" 1
93 1 32 PHE QD 1 33 GLN H 3.340 . 4.880 4.603 4.506 4.788 . 0 0 "[ . 1 . 2]" 1
94 1 32 PHE QE 1 123 PHE QE 3.530 . 5.250 3.358 3.014 3.921 . 0 0 "[ . 1 . 2]" 1
95 1 32 PHE QE 2 17 TYR QD 3.140 . 4.480 3.393 3.053 3.714 . 0 0 "[ . 1 . 2]" 1
96 1 32 PHE QE 2 17 TYR QE 3.380 . 4.960 2.988 2.825 3.338 . 0 0 "[ . 1 . 2]" 1
97 1 33 GLN H 1 34 LYS H 2.170 . 2.540 2.381 2.240 2.495 . 0 0 "[ . 1 . 2]" 1
98 1 34 LYS H 1 35 ASP H 3.340 . 4.880 4.612 4.548 4.650 . 0 0 "[ . 1 . 2]" 1
99 1 35 ASP H 1 36 TRP H 3.330 . 4.860 4.563 4.478 4.620 . 0 0 "[ . 1 . 2]" 1
100 1 36 TRP H 1 37 GLN H 2.900 . 4.000 3.947 3.786 4.042 0.042 5 0 "[ . 1 . 2]" 1
101 1 36 TRP HE3 1 37 GLN H 2.920 . 4.040 4.029 3.664 4.333 0.293 12 0 "[ . 1 . 2]" 1
102 1 36 TRP HE3 1 68 LEU MD1 3.160 . 4.520 2.846 2.305 3.908 . 0 0 "[ . 1 . 2]" 1
103 1 36 TRP HE3 1 68 LEU MD2 2.340 . 2.880 2.212 2.107 2.837 . 0 0 "[ . 1 . 2]" 1
104 1 36 TRP HZ3 1 68 LEU MD1 3.190 . 4.580 3.081 2.513 3.852 . 0 0 "[ . 1 . 2]" 1
105 1 36 TRP HZ3 1 68 LEU MD2 2.730 . 3.660 2.721 2.458 2.899 . 0 0 "[ . 1 . 2]" 1
106 1 36 TRP HZ3 1 73 ALA MB 2.400 . 3.000 1.981 1.732 2.327 0.068 10 0 "[ . 1 . 2]" 1
107 1 37 GLN H 1 68 LEU MD1 3.370 . 4.940 3.952 3.735 4.477 . 0 0 "[ . 1 . 2]" 1
108 1 37 GLN H 1 68 LEU MD2 2.140 . 2.480 1.866 1.688 2.393 0.112 7 0 "[ . 1 . 2]" 1
109 1 39 GLU H 1 40 VAL H 2.900 . 4.000 4.038 3.806 4.249 0.249 12 0 "[ . 1 . 2]" 1
110 1 39 GLU H 1 66 ALA MB 3.300 . 4.800 4.238 3.974 4.756 . 0 0 "[ . 1 . 2]" 1
111 1 39 GLU H 1 67 SER H 1.960 . 2.120 2.573 2.092 3.482 1.362 20 7 "[* * * * 1 - . * +]" 1
112 1 39 GLU H 1 68 LEU H 3.520 . 5.240 4.763 4.618 4.940 . 0 0 "[ . 1 . 2]" 1
113 1 39 GLU H 1 69 GLY H 3.370 . 4.940 4.149 3.588 4.761 . 0 0 "[ . 1 . 2]" 1
114 1 40 VAL H 1 41 LYS H 3.260 . 4.720 4.160 4.042 4.441 . 0 0 "[ . 1 . 2]" 1
115 1 40 VAL MG1 1 41 LYS H 2.770 . 3.740 3.750 3.123 4.350 0.610 18 2 "[ . -1 . + 2]" 1
116 1 40 VAL MG1 1 64 VAL MG1 3.120 . 4.440 2.711 1.711 4.511 0.089 8 0 "[ . 1 . 2]" 1
117 1 40 VAL MG1 1 126 LEU MD1 3.180 . 4.560 2.735 2.140 3.568 . 0 0 "[ . 1 . 2]" 1
118 1 40 VAL MG1 1 128 LEU QD 3.390 . 4.980 4.077 2.451 5.835 0.855 13 3 "[ - . 1 + . * 2]" 1
119 1 40 VAL MG2 1 41 LYS H 3.500 . 5.200 4.203 3.420 4.359 . 0 0 "[ . 1 . 2]" 1
120 1 41 LYS H 1 42 LEU H 3.230 . 4.660 4.398 4.172 4.585 . 0 0 "[ . 1 . 2]" 1
121 1 41 LYS H 1 64 VAL MG1 3.190 . 4.580 4.430 3.690 4.946 0.366 3 0 "[ . 1 . 2]" 1
122 1 41 LYS H 1 65 THR H 2.380 . 2.960 3.326 2.748 3.864 0.904 10 5 "[ . *+* - * 2]" 1
123 1 42 LEU H 1 43 ASP H 3.220 . 4.640 4.358 4.077 4.545 . 0 0 "[ . 1 . 2]" 1
124 1 42 LEU QD 1 44 LEU H 3.410 . 5.020 5.203 3.790 6.531 1.511 3 7 "[* +*-** 1 * . 2]" 1
125 1 42 LEU QD 1 44 LEU QD 2.710 . 3.620 3.078 1.931 4.490 0.870 3 1 "[ + . 1 . 2]" 1
126 1 42 LEU QD 1 128 LEU QD 3.390 . 4.980 2.474 1.711 3.766 0.089 18 0 "[ . 1 . 2]" 1
127 1 42 LEU QD 5 8 LEU QB 3.000 . 4.200 3.533 2.716 5.224 1.024 6 1 "[ .+ 1 . 2]" 1
128 1 43 ASP H 1 44 LEU H 3.170 . 4.540 4.306 3.905 4.478 . 0 0 "[ . 1 . 2]" 1
129 1 43 ASP H 1 62 VAL MG1 3.270 . 4.740 4.456 3.562 5.103 0.363 10 0 "[ . 1 . 2]" 1
130 1 43 ASP H 1 63 THR H 2.740 . 3.680 3.299 3.022 3.664 . 0 0 "[ . 1 . 2]" 1
131 1 43 ASP H 1 128 LEU QD 3.420 . 5.040 5.605 4.673 6.302 1.262 10 12 "[ * .** *+-**** * *2]" 1
132 1 44 LEU H 1 45 ASP H 3.290 . 4.780 4.368 4.197 4.542 . 0 0 "[ . 1 . 2]" 1
133 1 44 LEU QD 5 10 LEU QB 3.530 . 5.250 5.488 4.124 6.855 1.605 1 8 "[+ * .* 1*** .* -]" 1
134 1 44 LEU QD 5 12 PRO QD 3.000 . 4.200 3.864 2.215 6.060 1.860 20 4 "[ .* * 1 -. +]" 1
135 1 45 ASP H 1 46 THR H 3.140 . 4.480 4.370 4.172 4.460 . 0 0 "[ . 1 . 2]" 1
136 1 45 ASP H 1 60 LEU QD 2.640 . 3.480 2.929 2.583 3.364 . 0 0 "[ . 1 . 2]" 1
137 1 45 ASP H 1 61 ARG H 2.970 . 4.140 3.394 3.086 3.873 . 0 0 "[ . 1 . 2]" 1
138 1 46 THR H 1 47 ALA H 3.260 . 4.720 4.404 4.265 4.494 . 0 0 "[ . 1 . 2]" 1
139 1 47 ALA H 1 48 SER H 2.870 . 3.940 4.255 3.927 4.428 0.488 13 0 "[ . 1 . 2]" 1
140 1 47 ALA H 1 58 VAL QG 3.440 . 5.080 4.451 4.016 5.478 0.398 1 0 "[ . 1 . 2]" 1
141 1 47 ALA H 1 59 VAL H 3.000 . 4.200 3.537 3.180 3.822 . 0 0 "[ . 1 . 2]" 1
142 1 47 ALA H 1 61 ARG H 3.500 . 5.200 4.467 4.063 4.790 . 0 0 "[ . 1 . 2]" 1
143 1 47 ALA MB 1 48 SER H 3.010 . 4.220 3.044 2.657 3.476 . 0 0 "[ . 1 . 2]" 1
144 1 47 ALA MB 1 59 VAL H 3.470 . 5.140 3.686 3.226 4.193 . 0 0 "[ . 1 . 2]" 1
145 1 48 SER H 1 49 SER H 3.180 . 4.560 4.466 4.426 4.586 0.026 20 0 "[ . 1 . 2]" 1
146 1 48 SER H 1 59 VAL H 3.340 . 4.880 4.916 4.695 5.254 0.374 1 0 "[ . 1 . 2]" 1
147 1 49 SER H 1 50 GLN H 3.030 . 4.260 4.151 3.919 4.287 0.027 19 0 "[ . 1 . 2]" 1
148 1 49 SER H 1 57 GLU H 2.490 . 3.180 3.235 2.734 4.057 0.877 1 2 "[+ . 1 .- 2]" 1
149 1 49 SER H 1 59 VAL H 3.510 . 5.220 5.050 4.720 5.388 0.168 14 0 "[ . 1 . 2]" 1
150 1 50 GLN H 1 51 LEU H 3.250 . 4.700 4.393 4.173 4.584 . 0 0 "[ . 1 . 2]" 1
151 1 50 GLN H 1 57 GLU H 3.480 . 5.160 4.883 4.546 5.118 . 0 0 "[ . 1 . 2]" 1
152 1 51 LEU H 1 52 ALA H 2.040 . 2.280 2.194 1.929 2.439 0.159 7 0 "[ . 1 . 2]" 1
153 1 51 LEU H 1 55 VAL H 3.450 . 5.100 4.876 4.455 5.153 0.053 3 0 "[ . 1 . 2]" 1
154 1 51 LEU H 1 55 VAL MG1 3.190 . 4.580 3.543 3.290 4.077 . 0 0 "[ . 1 . 2]" 1
155 1 51 LEU H 1 57 GLU H 2.880 . 3.960 3.894 3.440 4.540 0.580 2 2 "[ + . 1 . -]" 1
156 1 51 LEU MD1 1 55 VAL MG1 3.090 . 4.380 2.386 1.928 2.816 . 0 0 "[ . 1 . 2]" 1
157 1 51 LEU MD1 1 57 GLU H 3.440 . 5.080 3.928 3.371 4.445 . 0 0 "[ . 1 . 2]" 1
158 1 52 ALA H 1 53 ASP H 3.190 . 4.580 4.357 4.323 4.379 . 0 0 "[ . 1 . 2]" 1
159 1 52 ALA H 1 55 VAL H 2.900 . 4.000 3.524 3.319 3.690 . 0 0 "[ . 1 . 2]" 1
160 1 52 ALA H 1 55 VAL MG1 2.970 . 4.140 3.418 3.057 3.889 . 0 0 "[ . 1 . 2]" 1
161 1 52 ALA H 1 55 VAL MG2 3.380 . 4.960 4.050 3.557 4.458 . 0 0 "[ . 1 . 2]" 1
162 1 52 ALA MB 1 53 ASP H 2.510 . 3.220 2.140 2.018 2.410 . 0 0 "[ . 1 . 2]" 1
163 1 52 ALA MB 1 55 VAL MG1 3.440 . 5.080 3.060 2.889 3.215 . 0 0 "[ . 1 . 2]" 1
164 1 52 ALA MB 1 55 VAL MG2 3.070 . 4.340 2.180 1.881 2.575 . 0 0 "[ . 1 . 2]" 1
165 1 53 ASP H 1 54 ASP H 3.290 . 4.780 4.464 4.233 4.577 . 0 0 "[ . 1 . 2]" 1
166 1 53 ASP H 1 55 VAL H 3.430 . 5.060 4.107 3.907 4.289 . 0 0 "[ . 1 . 2]" 1
167 1 54 ASP H 1 55 VAL H 2.310 . 2.820 2.786 2.656 2.953 0.133 15 0 "[ . 1 . 2]" 1
168 1 54 ASP H 1 56 TYR QE 3.270 . 4.740 5.583 2.188 8.731 3.991 5 10 "[ *+****** * - 2]" 1
169 1 55 VAL H 1 56 TYR H 2.830 . 3.860 4.234 4.089 4.337 0.477 15 0 "[ . 1 . 2]" 1
170 1 55 VAL H 1 56 TYR QD 3.220 . 4.640 4.845 3.253 6.234 1.594 8 6 "[ ***+ 1* - 2]" 1
171 1 55 VAL H 1 56 TYR QE 3.220 . 4.640 5.863 3.662 8.379 3.739 8 10 "[ ****+-** * * 2]" 1
172 1 55 VAL MG1 1 56 TYR H 3.150 . 4.500 3.000 2.852 3.114 . 0 0 "[ . 1 . 2]" 1
173 1 56 TYR H 1 57 GLU H 3.230 . 4.660 4.316 4.122 4.434 . 0 0 "[ . 1 . 2]" 1
174 1 56 TYR H 1 84 PHE H 3.060 . 4.320 3.527 3.165 3.976 . 0 0 "[ . 1 . 2]" 1
175 1 56 TYR H 1 86 ILE H 3.230 . 4.660 3.945 2.959 4.436 . 0 0 "[ . 1 . 2]" 1
176 1 56 TYR QD 1 57 GLU H 3.430 . 5.060 3.728 2.861 4.245 . 0 0 "[ . 1 . 2]" 1
177 1 56 TYR QD 5 19 THR MG 3.000 . 4.200 6.746 4.544 9.725 5.525 12 19 "[***********+**-* ***]" 1
178 1 57 GLU H 1 58 VAL H 3.180 . 4.560 4.299 4.128 4.495 . 0 0 "[ . 1 . 2]" 1
179 1 58 VAL H 1 59 VAL H 3.150 . 4.500 4.332 4.179 4.455 . 0 0 "[ . 1 . 2]" 1
180 1 58 VAL H 1 82 GLY H 2.780 . 3.760 3.365 2.967 3.943 0.183 1 0 "[ . 1 . 2]" 1
181 1 58 VAL H 1 84 PHE H 2.890 . 3.990 4.029 3.700 4.624 0.634 5 1 "[ + 1 . 2]" 1
182 1 58 VAL H 1 84 PHE QD 3.360 . 4.920 2.828 2.380 3.465 . 0 0 "[ . 1 . 2]" 1
183 1 58 VAL H 1 84 PHE QE 3.510 . 5.220 3.143 2.393 3.546 . 0 0 "[ . 1 . 2]" 1
184 1 58 VAL QG 1 59 VAL H 2.910 . 4.020 2.989 2.554 3.457 . 0 0 "[ . 1 . 2]" 1
185 1 58 VAL QG 1 84 PHE QD 3.530 . 5.250 2.216 1.868 2.500 . 0 0 "[ . 1 . 2]" 1
186 1 59 VAL H 1 60 LEU H 3.130 . 4.460 4.364 4.222 4.484 0.024 7 0 "[ . 1 . 2]" 1
187 1 59 VAL H 1 82 GLY H 3.480 . 5.160 4.848 4.529 5.122 . 0 0 "[ . 1 . 2]" 1
188 1 59 VAL MG1 1 60 LEU H 2.940 . 4.080 2.599 2.359 2.705 . 0 0 "[ . 1 . 2]" 1
189 1 59 VAL MG1 1 80 GLN H 3.350 . 4.900 3.553 3.299 3.788 . 0 0 "[ . 1 . 2]" 1
190 1 59 VAL MG1 1 81 GLY H 3.290 . 4.780 3.461 3.173 3.745 . 0 0 "[ . 1 . 2]" 1
191 1 59 VAL MG2 1 82 GLY H 3.130 . 4.460 3.211 2.815 3.666 . 0 0 "[ . 1 . 2]" 1
192 1 60 LEU H 1 61 ARG H 3.190 . 4.580 4.145 4.083 4.233 . 0 0 "[ . 1 . 2]" 1
193 1 60 LEU H 1 80 GLN H 3.160 . 4.520 3.461 3.146 3.748 . 0 0 "[ . 1 . 2]" 1
194 1 60 LEU H 1 82 GLY H 3.380 . 4.960 5.229 4.838 5.597 0.637 9 2 "[ - +1 . 2]" 1
195 1 60 LEU QD 1 61 ARG H 2.830 . 3.860 2.663 2.402 3.234 . 0 0 "[ . 1 . 2]" 1
196 1 60 LEU QD 1 62 VAL MG2 2.930 . 4.060 1.994 1.778 2.150 0.022 3 0 "[ . 1 . 2]" 1
197 1 60 LEU QD 5 12 PRO QD 3.000 . 4.200 5.831 3.830 7.652 3.452 6 16 "[* **.+***1** ***-***]" 1
198 1 61 ARG H 1 62 VAL H 3.140 . 4.480 4.217 4.144 4.317 . 0 0 "[ . 1 . 2]" 1
199 1 62 VAL H 1 63 THR H 3.110 . 4.410 4.203 4.113 4.488 0.078 3 0 "[ . 1 . 2]" 1
200 1 62 VAL H 1 78 VAL H 3.010 . 4.220 3.375 3.088 3.778 . 0 0 "[ . 1 . 2]" 1
201 1 62 VAL H 1 80 GLN H 2.770 . 3.740 3.770 3.438 4.108 0.368 5 0 "[ . 1 . 2]" 1
202 1 62 VAL MG1 1 63 THR H 2.990 . 4.180 3.250 2.543 3.399 . 0 0 "[ . 1 . 2]" 1
203 1 62 VAL MG1 1 64 VAL MG2 2.990 . 4.180 2.268 1.918 2.848 . 0 0 "[ . 1 . 2]" 1
204 1 62 VAL MG1 1 128 LEU QD 2.860 . 3.920 2.527 1.832 3.346 . 0 0 "[ . 1 . 2]" 1
205 1 62 VAL MG2 1 80 GLN H 3.470 . 5.140 4.052 3.649 4.385 . 0 0 "[ . 1 . 2]" 1
206 1 62 VAL MG2 1 110 ALA MB 3.030 . 4.260 2.236 2.119 2.421 . 0 0 "[ . 1 . 2]" 1
207 1 63 THR H 1 64 VAL H 3.220 . 4.640 4.303 4.158 4.520 . 0 0 "[ . 1 . 2]" 1
208 1 64 VAL H 1 65 THR H 3.170 . 4.540 4.207 3.938 4.516 . 0 0 "[ . 1 . 2]" 1
209 1 64 VAL H 1 75 LEU MD1 3.260 . 4.720 3.397 3.106 4.001 . 0 0 "[ . 1 . 2]" 1
210 1 64 VAL H 1 76 CYS H 2.930 . 4.060 3.309 2.970 3.796 . 0 0 "[ . 1 . 2]" 1
211 1 64 VAL H 1 77 GLU H 3.440 . 5.080 4.635 4.382 4.865 . 0 0 "[ . 1 . 2]" 1
212 1 64 VAL H 1 78 VAL H 3.160 . 4.520 4.760 4.421 5.142 0.622 8 3 "[* - . + 1 . 2]" 1
213 1 64 VAL MG1 1 65 THR H 2.840 . 3.880 3.011 2.379 3.374 . 0 0 "[ . 1 . 2]" 1
214 1 64 VAL MG1 1 76 CYS H 3.490 . 5.180 3.758 3.327 4.065 . 0 0 "[ . 1 . 2]" 1
215 1 64 VAL MG1 1 126 LEU MD2 2.820 . 3.840 1.861 1.684 2.121 0.116 7 0 "[ . 1 . 2]" 1
216 1 64 VAL MG2 1 65 THR H 3.500 . 5.200 4.011 3.737 4.220 . 0 0 "[ . 1 . 2]" 1
217 1 64 VAL MG2 1 128 LEU QD 2.880 . 3.960 2.264 1.745 3.354 0.055 19 0 "[ . 1 . 2]" 1
218 1 65 THR H 1 66 ALA H 3.230 . 4.660 4.390 4.247 4.500 . 0 0 "[ . 1 . 2]" 1
219 1 66 ALA H 1 67 SER H 3.020 . 4.240 4.187 4.037 4.414 0.174 10 0 "[ . 1 . 2]" 1
220 1 66 ALA H 1 73 ALA H 3.400 . 5.000 4.483 4.286 4.630 . 0 0 "[ . 1 . 2]" 1
221 1 66 ALA H 1 74 PHE H 2.830 . 3.860 3.184 2.983 3.374 . 0 0 "[ . 1 . 2]" 1
222 1 66 ALA H 1 76 CYS H 3.240 . 4.680 4.972 4.643 5.156 0.476 13 0 "[ . 1 . 2]" 1
223 1 66 ALA MB 1 67 SER H 3.040 . 4.280 3.384 3.104 3.532 . 0 0 "[ . 1 . 2]" 1
224 1 66 ALA MB 1 73 ALA H 3.370 . 4.940 3.577 3.323 3.889 . 0 0 "[ . 1 . 2]" 1
225 1 66 ALA MB 1 73 ALA MB 2.980 . 4.160 2.177 2.062 2.530 . 0 0 "[ . 1 . 2]" 1
226 1 66 ALA MB 1 74 PHE H 2.890 . 3.980 2.476 2.313 2.770 . 0 0 "[ . 1 . 2]" 1
227 1 66 ALA MB 1 74 PHE QD 3.180 . 4.560 3.223 3.124 3.325 . 0 0 "[ . 1 . 2]" 1
228 1 66 ALA MB 1 74 PHE QE 2.810 . 3.820 2.981 2.861 3.135 . 0 0 "[ . 1 . 2]" 1
229 1 66 ALA MB 1 126 LEU MD2 3.470 . 5.140 3.530 3.289 3.876 . 0 0 "[ . 1 . 2]" 1
230 1 67 SER H 1 68 LEU H 3.200 . 4.600 4.344 4.252 4.447 . 0 0 "[ . 1 . 2]" 1
231 1 67 SER H 1 69 GLY H 3.310 . 4.820 5.223 4.701 5.706 0.886 8 8 "[ * - + 1 ***.* * 2]" 1
232 1 67 SER H 1 73 ALA H 3.170 . 4.540 4.559 4.194 4.821 0.281 12 0 "[ . 1 . 2]" 1
233 1 68 LEU H 1 69 GLY H 2.570 . 3.340 3.674 2.680 3.968 0.628 18 7 "[-* *. 1** .* + 2]" 1
234 1 68 LEU H 1 70 GLU H 3.490 . 5.180 5.010 4.572 5.826 0.646 3 1 "[ + . 1 . 2]" 1
235 1 68 LEU H 1 71 GLU H 2.960 . 4.120 3.952 3.094 4.500 0.380 3 0 "[ . 1 . 2]" 1
236 1 68 LEU H 1 72 THR H 3.390 . 4.980 4.690 4.419 4.962 . 0 0 "[ . 1 . 2]" 1
237 1 68 LEU H 1 73 ALA H 2.570 . 3.340 3.211 2.870 3.681 0.341 10 0 "[ . 1 . 2]" 1
238 1 68 LEU H 1 73 ALA MB 3.350 . 4.900 3.707 3.083 4.388 . 0 0 "[ . 1 . 2]" 1
239 1 68 LEU MD1 1 73 ALA H 3.470 . 5.140 3.852 3.367 4.415 . 0 0 "[ . 1 . 2]" 1
240 1 68 LEU MD1 1 73 ALA MB 3.290 . 4.780 2.214 1.736 2.620 0.064 13 0 "[ . 1 . 2]" 1
241 1 68 LEU MD2 1 73 ALA MB 3.270 . 4.740 2.713 2.368 3.171 . 0 0 "[ . 1 . 2]" 1
242 1 69 GLY H 1 70 GLU H 2.970 . 4.140 4.133 3.970 4.477 0.337 3 0 "[ . 1 . 2]" 1
243 1 69 GLY H 1 71 GLU H 3.200 . 4.600 4.726 4.262 4.950 0.350 8 0 "[ . 1 . 2]" 1
244 1 70 GLU H 1 71 GLU H 1.980 . 2.160 2.061 1.764 2.376 0.216 20 0 "[ . 1 . 2]" 1
245 1 71 GLU H 1 72 THR H 3.200 . 4.600 4.406 3.990 4.596 . 0 0 "[ . 1 . 2]" 1
246 1 72 THR H 1 73 ALA H 3.280 . 4.760 4.495 4.420 4.570 . 0 0 "[ . 1 . 2]" 1
247 1 73 ALA H 1 74 PHE H 2.300 . 2.800 2.636 2.499 2.805 0.005 15 0 "[ . 1 . 2]" 1
248 1 73 ALA MB 1 74 PHE H 2.510 . 3.220 2.157 2.073 2.259 . 0 0 "[ . 1 . 2]" 1
249 1 73 ALA MB 1 74 PHE QD 3.200 . 4.600 2.671 2.130 2.822 . 0 0 "[ . 1 . 2]" 1
250 1 73 ALA MB 1 74 PHE QE 3.440 . 5.080 3.593 3.132 3.832 . 0 0 "[ . 1 . 2]" 1
251 1 74 PHE H 1 75 LEU H 3.120 . 4.440 4.362 4.327 4.395 . 0 0 "[ . 1 . 2]" 1
252 1 74 PHE QD 1 75 LEU H 3.220 . 4.640 3.147 2.781 3.594 . 0 0 "[ . 1 . 2]" 1
253 1 74 PHE QD 1 123 PHE QE 3.290 . 4.780 3.280 2.969 3.539 . 0 0 "[ . 1 . 2]" 1
254 1 74 PHE QE 1 118 VAL MG1 3.190 . 4.580 2.992 2.736 3.227 . 0 0 "[ . 1 . 2]" 1
255 1 74 PHE QE 1 118 VAL MG2 3.080 . 4.360 2.604 2.338 2.847 . 0 0 "[ . 1 . 2]" 1
256 1 74 PHE QE 1 123 PHE QD 3.350 . 4.900 3.550 3.270 3.840 . 0 0 "[ . 1 . 2]" 1
257 1 74 PHE QE 1 126 LEU MD2 2.920 . 4.040 2.404 1.976 2.742 . 0 0 "[ . 1 . 2]" 1
258 1 75 LEU H 1 76 CYS H 3.140 . 4.480 4.257 3.879 4.389 . 0 0 "[ . 1 . 2]" 1
259 1 75 LEU MD1 1 76 CYS H 2.660 . 3.520 2.178 1.777 2.844 0.023 14 0 "[ . 1 . 2]" 1
260 1 76 CYS H 1 77 GLU H 3.130 . 4.460 3.899 3.671 4.304 . 0 0 "[ . 1 . 2]" 1
261 1 77 GLU H 1 78 VAL H 3.130 . 4.460 4.238 3.985 4.405 . 0 0 "[ . 1 . 2]" 1
262 1 77 GLU H 1 78 VAL MG2 3.320 . 4.840 3.654 3.031 4.130 . 0 0 "[ . 1 . 2]" 1
263 1 77 GLU H 1 117 MET ME 2.620 . 3.440 2.909 2.396 3.294 . 0 0 "[ . 1 . 2]" 1
264 1 78 VAL H 1 79 GLN H 3.220 . 4.640 4.097 3.999 4.315 . 0 0 "[ . 1 . 2]" 1
265 1 78 VAL MG1 1 79 GLN H 2.420 . 3.040 3.123 2.705 3.280 0.240 10 0 "[ . 1 . 2]" 1
266 1 78 VAL MG1 1 80 GLN H 3.140 . 4.480 2.942 2.781 3.126 . 0 0 "[ . 1 . 2]" 1
267 1 78 VAL MG2 1 79 GLN H 3.360 . 4.920 4.093 3.982 4.220 . 0 0 "[ . 1 . 2]" 1
268 1 78 VAL MG2 1 114 ILE H 3.380 . 4.960 3.277 2.974 3.784 . 0 0 "[ . 1 . 2]" 1
269 1 78 VAL MG2 1 117 MET ME 2.900 . 4.000 2.217 2.059 2.396 . 0 0 "[ . 1 . 2]" 1
270 1 79 GLN H 1 80 GLN H 2.970 . 4.140 4.033 3.911 4.147 0.007 18 0 "[ . 1 . 2]" 1
271 1 80 GLN H 1 81 GLY H 3.180 . 4.560 4.271 4.182 4.390 . 0 0 "[ . 1 . 2]" 1
272 1 80 GLN H 1 110 ALA MB 3.300 . 4.800 3.646 3.449 3.962 . 0 0 "[ . 1 . 2]" 1
273 1 81 GLY H 1 82 GLY H 3.290 . 4.780 4.554 4.530 4.576 . 0 0 "[ . 1 . 2]" 1
274 1 82 GLY H 1 83 ILE H 3.100 . 4.400 4.070 3.927 4.337 . 0 0 "[ . 1 . 2]" 1
275 1 83 ILE H 1 84 PHE H 3.260 . 4.720 4.407 4.234 4.476 . 0 0 "[ . 1 . 2]" 1
276 1 84 PHE H 1 85 SER H 3.200 . 4.600 4.249 4.102 4.462 . 0 0 "[ . 1 . 2]" 1
277 1 84 PHE QD 1 85 SER H 3.390 . 4.980 4.461 4.268 4.721 . 0 0 "[ . 1 . 2]" 1
278 1 85 SER H 1 86 ILE H 3.140 . 4.480 4.219 4.028 4.384 . 0 0 "[ . 1 . 2]" 1
279 1 86 ILE H 1 87 ALA H 3.210 . 4.620 4.329 4.081 4.509 . 0 0 "[ . 1 . 2]" 1
280 1 86 ILE MD 5 19 THR HG1 3.000 . 4.200 7.524 5.776 9.584 5.384 3 20 [**+**********-******] 1
281 1 86 ILE MD 5 19 THR MG 3.000 . 4.200 6.610 4.152 8.286 4.086 20 16 "[****.** *1-***** **+]" 1
282 1 87 ALA H 1 88 GLY H 2.560 . 3.320 3.946 1.772 4.383 1.063 3 17 "[**+*** *********-*]" 1
283 1 87 ALA H 1 89 ILE H 3.200 . 4.600 5.203 4.484 6.574 1.974 1 11 "[+**** -1* ** * *]" 1
284 1 87 ALA MB 1 88 GLY H 3.140 . 4.480 2.501 1.951 3.631 . 0 0 "[ . 1 . 2]" 1
285 1 88 GLY H 1 89 ILE H 1.930 . 2.060 3.195 1.746 3.751 1.691 10 19 [*********+******-**2] 1
286 1 89 ILE H 1 90 GLU H 3.220 . 4.640 3.669 1.704 4.621 0.096 16 0 "[ . 1 . 2]" 1
287 1 90 GLU H 1 91 GLY H 3.180 . 4.560 4.341 2.539 4.701 0.141 16 0 "[ . 1 . 2]" 1
288 1 90 GLU H 1 94 MET H 3.260 . 4.720 4.375 3.364 5.018 0.298 7 0 "[ . 1 . 2]" 1
289 1 91 GLY H 1 92 THR H 3.330 . 4.860 4.598 4.402 4.671 . 0 0 "[ . 1 . 2]" 1
290 1 91 GLY H 1 94 MET H 3.130 . 4.460 4.217 3.333 4.570 0.110 14 0 "[ . 1 . 2]" 1
291 1 91 GLY H 1 94 MET ME 3.040 . 4.280 3.796 1.965 5.874 1.594 12 7 "[ * **-**1 + . 2]" 1
292 1 91 GLY H 1 95 ALA H 3.310 . 4.820 4.976 4.425 5.898 1.078 8 2 "[ . +-1 . 2]" 1
293 1 92 THR H 1 93 GLN H 2.350 . 2.900 2.586 2.391 2.853 . 0 0 "[ . 1 . 2]" 1
294 1 92 THR H 1 94 MET H 3.360 . 4.920 4.501 3.973 4.841 . 0 0 "[ . 1 . 2]" 1
295 1 92 THR H 1 95 ALA H 3.340 . 4.880 4.738 4.538 5.371 0.491 9 0 "[ . 1 . 2]" 1
296 1 93 GLN H 1 94 MET H 2.440 . 3.080 2.713 2.577 2.874 . 0 0 "[ . 1 . 2]" 1
297 1 93 GLN H 1 95 ALA H 2.990 . 4.180 3.804 3.555 4.285 0.105 9 0 "[ . 1 . 2]" 1
298 1 93 GLN H 1 96 HIS H 3.500 . 5.200 4.714 4.478 5.040 . 0 0 "[ . 1 . 2]" 1
299 1 94 MET H 1 95 ALA H 2.200 . 2.600 2.564 2.449 2.721 0.121 7 0 "[ . 1 . 2]" 1
300 1 94 MET H 1 96 HIS H 3.080 . 4.360 4.135 3.834 4.351 . 0 0 "[ . 1 . 2]" 1
301 1 94 MET H 1 97 CYS H 3.480 . 5.160 4.816 4.492 5.117 . 0 0 "[ . 1 . 2]" 1
302 1 94 MET ME 1 98 LEU QD 2.770 . 3.740 3.465 2.095 5.749 2.009 3 4 "[ + ** 1 - 2]" 1
303 1 94 MET ME 5 19 THR HG1 3.260 . 4.720 4.723 2.063 10.075 5.355 8 8 "[** *. + 1-* .* * 2]" 1
304 1 94 MET ME 5 22 ARG QB 3.530 . 5.250 6.698 2.136 9.856 4.606 7 17 "[ ** **+ *-**********]" 1
305 1 95 ALA H 1 96 HIS H 2.360 . 2.920 2.629 2.510 2.767 . 0 0 "[ . 1 . 2]" 1
306 1 95 ALA H 1 97 CYS H 3.130 . 4.460 4.035 3.827 4.403 . 0 0 "[ . 1 . 2]" 1
307 1 95 ALA H 1 98 LEU H 3.400 . 5.000 4.928 4.740 5.141 0.141 9 0 "[ . 1 . 2]" 1
308 1 95 ALA H 1 98 LEU QD 3.240 . 4.680 4.510 3.684 6.630 1.950 3 5 "[ + .* - *. *2]" 1
309 1 95 ALA MB 1 96 HIS H 2.700 . 3.600 2.727 2.551 2.952 . 0 0 "[ . 1 . 2]" 1
310 1 96 HIS H 1 97 CYS H 2.200 . 2.600 2.565 2.420 2.707 0.107 10 0 "[ . 1 . 2]" 1
311 1 96 HIS H 1 98 LEU H 2.920 . 4.040 4.401 4.000 4.763 0.723 16 6 "[* *. *1 .+ * -]" 1
312 1 96 HIS H 1 99 GLY H 3.230 . 4.660 4.657 4.170 4.908 0.248 20 0 "[ . 1 . 2]" 1
313 1 97 CYS H 1 98 LEU H 2.220 . 2.640 2.714 2.542 2.890 0.250 16 0 "[ . 1 . 2]" 1
314 1 97 CYS H 1 99 GLY H 2.860 . 3.920 3.883 3.637 4.355 0.435 2 0 "[ . 1 . 2]" 1
315 1 97 CYS H 1 100 ALA H 3.440 . 5.080 4.852 4.628 5.149 0.069 2 0 "[ . 1 . 2]" 1
316 1 97 CYS H 1 101 TYR H 3.450 . 5.100 4.809 4.630 5.008 . 0 0 "[ . 1 . 2]" 1
317 1 98 LEU H 1 99 GLY H 2.040 . 2.280 2.527 2.190 2.728 0.448 7 0 "[ . 1 . 2]" 1
318 1 98 LEU H 1 100 ALA H 2.890 . 3.990 4.181 3.827 4.327 0.337 8 0 "[ . 1 . 2]" 1
319 1 98 LEU H 1 101 TYR H 3.350 . 4.900 4.898 4.608 5.131 0.231 3 0 "[ . 1 . 2]" 1
320 1 98 LEU H 1 102 CYS H 3.310 . 4.820 4.972 4.674 5.182 0.362 8 0 "[ . 1 . 2]" 1
321 1 98 LEU QD 1 99 GLY H 2.990 . 4.180 2.997 2.155 4.117 . 0 0 "[ . 1 . 2]" 1
322 1 98 LEU QD 5 19 THR HG1 3.000 . 4.200 6.715 4.910 8.297 4.097 8 20 [*******+****-*******] 1
323 1 98 LEU QD 5 22 ARG QB 3.000 . 4.200 6.261 3.138 8.389 4.189 6 17 "[*****+*-*** ***** *2]" 1
324 1 99 GLY H 1 100 ALA H 2.040 . 2.280 2.429 2.227 2.675 0.395 6 0 "[ . 1 . 2]" 1
325 1 99 GLY H 1 100 ALA MB 3.370 . 4.940 4.117 3.881 4.327 . 0 0 "[ . 1 . 2]" 1
326 1 99 GLY H 1 101 TYR H 2.960 . 4.120 4.094 3.730 4.295 0.175 7 0 "[ . 1 . 2]" 1
327 1 99 GLY H 1 102 CYS H 3.110 . 4.420 5.011 4.695 5.364 0.944 10 16 "[ *-******+* * *** **]" 1
328 1 100 ALA H 1 101 TYR H 2.100 . 2.400 2.163 1.950 2.352 . 0 0 "[ . 1 . 2]" 1
329 1 100 ALA H 1 102 CYS H 2.460 . 3.120 3.722 3.168 4.043 0.923 10 16 "[ *-*****+*** **** *]" 1
330 1 100 ALA MB 1 101 TYR H 2.450 . 3.100 2.362 2.141 2.636 . 0 0 "[ . 1 . 2]" 1
331 1 100 ALA MB 1 133 PHE QD 3.520 . 5.240 4.242 2.853 5.142 . 0 0 "[ . 1 . 2]" 1
332 1 100 ALA MB 1 134 ASP H 2.830 . 3.860 3.065 2.515 3.825 . 0 0 "[ . 1 . 2]" 1
333 1 100 ALA MB 1 137 PHE QD 3.460 . 5.120 2.347 1.669 3.286 0.131 12 0 "[ . 1 . 2]" 1
334 1 101 TYR H 1 102 CYS H 2.300 . 2.800 2.840 2.458 3.060 0.260 5 0 "[ . 1 . 2]" 1
335 1 101 TYR QD 1 102 CYS H 3.090 . 4.380 2.973 2.427 3.694 . 0 0 "[ . 1 . 2]" 1
336 1 101 TYR QE 3 135 ALA MB 3.130 . 4.460 3.314 1.945 6.395 1.935 1 1 "[+ . 1 . 2]" 1
337 1 109 TYR H 1 110 ALA H 2.210 . 2.620 2.577 2.461 2.676 0.056 10 0 "[ . 1 . 2]" 1
338 1 109 TYR H 1 111 ARG H 3.040 . 4.280 4.014 3.833 4.195 . 0 0 "[ . 1 . 2]" 1
339 1 109 TYR QD 1 110 ALA H 3.480 . 5.160 4.147 3.924 4.379 . 0 0 "[ . 1 . 2]" 1
340 1 110 ALA H 1 111 ARG H 2.140 . 2.480 2.564 2.478 2.649 0.169 14 0 "[ . 1 . 2]" 1
341 1 110 ALA H 1 112 GLU H 2.990 . 4.180 3.999 3.716 4.269 0.089 4 0 "[ . 1 . 2]" 1
342 1 110 ALA H 1 113 CYS H 3.480 . 5.160 4.740 4.655 4.879 . 0 0 "[ . 1 . 2]" 1
343 1 110 ALA MB 1 111 ARG H 2.660 . 3.520 2.576 2.440 2.755 . 0 0 "[ . 1 . 2]" 1
344 1 111 ARG H 1 112 GLU H 2.340 . 2.880 2.748 2.591 2.868 . 0 0 "[ . 1 . 2]" 1
345 1 111 ARG H 1 113 CYS H 3.160 . 4.520 4.322 4.178 4.450 . 0 0 "[ . 1 . 2]" 1
346 1 111 ARG H 1 114 ILE H 3.480 . 5.160 4.944 4.768 5.069 . 0 0 "[ . 1 . 2]" 1
347 1 112 GLU H 1 113 CYS H 2.260 . 2.730 2.688 2.589 2.848 0.118 3 0 "[ . 1 . 2]" 1
348 1 112 GLU H 1 114 ILE H 3.160 . 4.520 4.174 4.023 4.421 . 0 0 "[ . 1 . 2]" 1
349 1 112 GLU H 1 115 THR H 3.480 . 5.160 4.666 4.513 4.980 . 0 0 "[ . 1 . 2]" 1
350 1 112 GLU H 3 109 TYR QE 3.300 . 4.800 4.432 3.258 5.215 0.415 5 0 "[ . 1 . 2]" 1
351 1 113 CYS H 1 114 ILE H 2.340 . 2.880 2.679 2.594 2.734 . 0 0 "[ . 1 . 2]" 1
352 1 113 CYS H 1 115 THR H 3.170 . 4.540 4.201 4.016 4.471 . 0 0 "[ . 1 . 2]" 1
353 1 113 CYS H 1 116 SER H 3.360 . 4.920 4.797 4.682 4.870 . 0 0 "[ . 1 . 2]" 1
354 1 114 ILE H 1 115 THR H 2.430 . 3.060 2.714 2.588 2.854 . 0 0 "[ . 1 . 2]" 1
355 1 114 ILE H 1 116 SER H 3.050 . 4.300 4.132 3.901 4.372 0.072 19 0 "[ . 1 . 2]" 1
356 1 115 THR H 1 116 SER H 2.320 . 2.840 2.744 2.619 2.833 . 0 0 "[ . 1 . 2]" 1
357 1 115 THR H 1 117 MET H 3.390 . 4.980 4.358 4.177 4.587 . 0 0 "[ . 1 . 2]" 1
358 1 116 SER H 1 117 MET H 2.460 . 3.120 2.659 2.532 2.754 . 0 0 "[ . 1 . 2]" 1
359 1 116 SER H 1 118 VAL H 3.090 . 4.380 4.108 4.033 4.261 . 0 0 "[ . 1 . 2]" 1
360 1 116 SER H 1 119 SER H 3.450 . 5.100 4.767 4.638 4.868 . 0 0 "[ . 1 . 2]" 1
361 1 117 MET H 1 118 VAL H 2.390 . 2.980 2.676 2.591 2.800 . 0 0 "[ . 1 . 2]" 1
362 1 117 MET H 1 119 SER H 3.240 . 4.680 4.250 4.121 4.416 . 0 0 "[ . 1 . 2]" 1
363 1 118 VAL H 1 119 SER H 2.380 . 2.960 2.716 2.647 2.795 . 0 0 "[ . 1 . 2]" 1
364 1 118 VAL MG1 1 119 SER H 3.030 . 4.260 3.263 3.052 3.408 . 0 0 "[ . 1 . 2]" 1
365 1 118 VAL MG1 1 123 PHE H 3.170 . 4.540 3.513 3.276 3.836 . 0 0 "[ . 1 . 2]" 1
366 1 118 VAL MG1 1 123 PHE QD 3.130 . 4.460 3.399 2.973 3.633 . 0 0 "[ . 1 . 2]" 1
367 1 118 VAL MG1 1 126 LEU H 3.480 . 5.160 3.177 2.623 3.738 . 0 0 "[ . 1 . 2]" 1
368 1 118 VAL MG1 1 126 LEU MD2 3.430 . 5.060 3.138 2.924 3.665 . 0 0 "[ . 1 . 2]" 1
369 1 118 VAL MG2 1 119 SER H 3.270 . 4.740 3.891 3.754 4.007 . 0 0 "[ . 1 . 2]" 1
370 1 118 VAL MG2 1 126 LEU MD2 2.710 . 3.620 2.143 1.803 2.861 . 0 0 "[ . 1 . 2]" 1
371 1 119 SER H 1 121 GLY H 3.160 . 4.520 3.960 3.825 4.170 . 0 0 "[ . 1 . 2]" 1
372 1 121 GLY H 1 122 THR H 2.450 . 3.100 2.634 2.519 2.738 . 0 0 "[ . 1 . 2]" 1
373 1 121 GLY H 1 123 PHE H 2.720 . 3.640 3.857 3.710 3.999 0.359 15 0 "[ . 1 . 2]" 1
374 1 121 GLY H 2 18 THR H 3.040 . 4.280 4.340 4.100 4.546 0.266 13 0 "[ . 1 . 2]" 1
375 1 122 THR H 1 123 PHE H 2.400 . 3.000 2.768 2.556 2.846 . 0 0 "[ . 1 . 2]" 1
376 1 122 THR H 2 18 THR H 3.020 . 4.240 4.298 4.065 4.487 0.247 10 0 "[ . 1 . 2]" 1
377 1 125 GLN H 1 126 LEU H 3.330 . 4.860 4.548 4.459 4.631 . 0 0 "[ . 1 . 2]" 1
378 1 126 LEU H 1 127 ASN H 2.830 . 3.860 4.020 3.711 4.274 0.414 18 0 "[ . 1 . 2]" 1
379 1 126 LEU MD1 1 127 ASN H 3.220 . 4.640 3.058 2.445 3.457 . 0 0 "[ . 1 . 2]" 1
380 1 126 LEU MD1 5 6 ILE MG 3.530 . 5.250 4.093 1.819 5.811 0.561 14 1 "[ . 1 +. 2]" 1
381 1 127 ASN H 1 128 LEU H 3.190 . 4.580 4.237 4.011 4.469 . 0 0 "[ . 1 . 2]" 1
382 1 128 LEU H 1 129 ALA H 3.330 . 4.860 4.596 4.460 4.654 . 0 0 "[ . 1 . 2]" 1
383 1 128 LEU QD 1 129 ALA H 2.430 . 3.060 3.376 1.751 4.471 1.411 7 12 "[ * ** + *** ** -**]" 1
384 1 128 LEU QD 1 129 ALA MB 3.260 . 4.720 4.283 2.723 5.336 0.616 7 1 "[ . + 1 . 2]" 1
385 1 128 LEU QD 5 8 LEU QB 3.530 . 5.250 3.743 1.901 5.385 0.135 18 0 "[ . 1 . 2]" 1
386 1 131 VAL QG 1 133 PHE H 2.910 . 3.920 3.462 2.904 3.959 0.039 19 0 "[ . 1 . 2]" 1
387 1 131 VAL QG 1 133 PHE QD 3.030 . 3.760 3.323 2.478 4.219 0.459 8 0 "[ . 1 . 2]" 1
388 1 131 VAL QG 1 133 PHE QE 2.950 . 3.340 3.010 2.341 4.540 1.200 8 2 "[ .- + 1 . 2]" 1
389 1 133 PHE H 1 134 ASP H 2.340 . 2.880 2.718 2.512 2.898 0.018 10 0 "[ . 1 . 2]" 1
390 1 133 PHE H 1 135 ALA H 3.050 . 4.300 4.365 3.951 4.600 0.300 17 0 "[ . 1 . 2]" 1
391 1 133 PHE H 1 136 LEU H 3.440 . 5.080 5.097 4.753 5.514 0.434 13 0 "[ . 1 . 2]" 1
392 1 133 PHE QD 1 134 ASP H 3.240 . 4.680 4.071 3.726 4.350 . 0 0 "[ . 1 . 2]" 1
393 1 133 PHE QE 5 12 PRO QD 3.000 . 4.200 6.206 5.302 8.386 4.186 20 20 [*********-*********+] 1
394 1 134 ASP H 1 135 ALA H 2.320 . 2.840 2.769 2.523 3.011 0.171 7 0 "[ . 1 . 2]" 1
395 1 134 ASP H 1 136 LEU H 3.250 . 4.700 4.294 4.031 4.725 0.025 7 0 "[ . 1 . 2]" 1
396 1 134 ASP H 1 137 PHE H 3.410 . 5.020 4.866 4.528 5.201 0.181 6 0 "[ . 1 . 2]" 1
397 1 135 ALA H 1 136 LEU H 2.400 . 3.000 2.659 2.493 2.844 . 0 0 "[ . 1 . 2]" 1
398 1 135 ALA H 1 137 PHE H 3.130 . 4.460 4.164 3.854 4.451 . 0 0 "[ . 1 . 2]" 1
399 1 135 ALA H 1 138 MET H 3.490 . 5.180 4.743 4.484 4.997 . 0 0 "[ . 1 . 2]" 1
400 1 135 ALA MB 1 136 LEU H 2.510 . 3.220 2.572 2.311 3.021 . 0 0 "[ . 1 . 2]" 1
401 1 136 LEU H 1 137 PHE H 2.350 . 2.900 2.620 2.446 2.818 . 0 0 "[ . 1 . 2]" 1
402 1 136 LEU H 1 138 MET H 3.340 . 4.880 4.024 3.693 4.427 . 0 0 "[ . 1 . 2]" 1
403 1 136 LEU H 1 139 ASN H 3.310 . 4.820 4.709 4.381 4.910 0.090 11 0 "[ . 1 . 2]" 1
404 1 136 LEU QD 5 11 LEU QD 3.000 . 4.200 5.914 5.073 6.753 2.553 2 20 [*+*-****************] 1
405 1 137 PHE H 1 138 MET H 2.490 . 3.180 2.595 2.408 2.790 . 0 0 "[ . 1 . 2]" 1
406 1 137 PHE H 1 139 ASN H 2.990 . 4.180 4.009 3.681 4.335 0.155 11 0 "[ . 1 . 2]" 1
407 1 137 PHE H 1 140 TYR H 3.450 . 5.100 4.951 4.564 5.444 0.344 5 0 "[ . 1 . 2]" 1
408 1 137 PHE QD 1 138 MET H 3.210 . 4.620 4.543 3.924 4.824 0.204 17 0 "[ . 1 . 2]" 1
409 1 137 PHE QD 5 11 LEU QD 3.000 . 4.200 5.262 3.364 5.763 1.563 3 17 "[* +******-****** **2]" 1
410 1 137 PHE QE 5 12 PRO QD 3.000 . 4.200 6.659 4.216 7.946 3.746 2 19 "[*+***** ***********-]" 1
411 1 137 PHE QE 5 15 PHE QD 3.000 . 4.200 6.683 4.438 7.738 3.538 12 19 [*****-*****+*******2] 1
412 1 138 MET H 1 139 ASN H 2.310 . 2.820 2.530 2.411 2.647 . 0 0 "[ . 1 . 2]" 1
413 1 138 MET H 1 140 TYR H 3.140 . 4.480 4.118 3.845 4.603 0.123 13 0 "[ . 1 . 2]" 1
414 1 138 MET H 1 141 LEU H 3.300 . 4.800 4.577 4.358 4.838 0.038 12 0 "[ . 1 . 2]" 1
415 1 138 MET ME 1 141 LEU MD2 2.800 . 3.800 2.219 1.902 2.512 . 0 0 "[ . 1 . 2]" 1
416 1 139 ASN H 1 140 TYR H 2.330 . 2.860 2.687 2.582 2.923 0.063 13 0 "[ . 1 . 2]" 1
417 1 139 ASN H 1 141 LEU H 3.020 . 4.240 3.948 3.737 4.186 . 0 0 "[ . 1 . 2]" 1
418 1 140 TYR H 1 141 LEU H 2.090 . 2.380 2.461 2.186 2.700 0.320 16 0 "[ . 1 . 2]" 1
419 1 140 TYR QD 1 141 LEU H 3.300 . 4.800 4.052 3.327 4.506 . 0 0 "[ . 1 . 2]" 1
420 2 9 MET H 2 10 THR H 3.260 . 4.720 4.494 4.374 4.664 . 0 0 "[ . 1 . 2]" 1
421 2 9 MET H 2 89 ILE H 3.220 . 4.640 4.572 3.380 5.556 0.916 18 4 "[ . 1* *. +-2]" 1
422 2 9 MET ME 2 10 THR H 3.440 . 5.080 3.309 2.588 4.604 . 0 0 "[ . 1 . 2]" 1
423 2 9 MET ME 2 97 CYS H 3.490 . 5.180 5.215 4.366 6.034 0.854 4 3 "[ +.* 1 - 2]" 1
424 2 9 MET ME 6 19 THR MG 3.530 . 5.250 10.197 8.183 11.627 6.377 19 20 [***************-**+*] 1
425 2 10 THR H 2 11 PHE H 2.840 . 3.880 4.121 3.919 4.340 0.460 16 0 "[ . 1 . 2]" 1
426 2 10 THR H 2 87 ALA H 2.630 . 3.460 2.907 2.528 3.332 . 0 0 "[ . 1 . 2]" 1
427 2 10 THR H 2 89 ILE H 3.390 . 4.980 4.088 3.400 4.845 . 0 0 "[ . 1 . 2]" 1
428 2 11 PHE H 2 12 GLN H 3.230 . 4.660 4.321 4.103 4.420 . 0 0 "[ . 1 . 2]" 1
429 2 11 PHE QD 2 12 GLN H 2.560 . 3.320 3.315 2.914 3.653 0.333 1 0 "[ . 1 . 2]" 1
430 2 11 PHE QD 2 101 TYR QE 3.390 . 4.980 3.726 2.870 4.833 . 0 0 "[ . 1 . 2]" 1
431 2 11 PHE QE 2 12 GLN H 3.160 . 4.520 4.590 4.119 5.413 0.893 20 5 "[ . 1 -** *+]" 1
432 2 11 PHE QE 2 84 PHE QD 2.910 . 4.020 3.057 2.403 3.795 . 0 0 "[ . 1 . 2]" 1
433 2 11 PHE QE 2 84 PHE QE 3.490 . 5.180 3.713 3.190 4.498 . 0 0 "[ . 1 . 2]" 1
434 2 11 PHE QE 2 101 TYR QD 3.360 . 4.920 2.976 2.078 3.607 . 0 0 "[ . 1 . 2]" 1
435 2 12 GLN H 2 13 ILE H 2.970 . 4.140 4.179 3.628 4.350 0.210 13 0 "[ . 1 . 2]" 1
436 2 12 GLN H 2 85 SER H 2.610 . 3.420 2.959 2.593 3.449 0.029 16 0 "[ . 1 . 2]" 1
437 2 13 ILE H 2 14 GLN H 3.330 . 4.860 4.448 4.345 4.526 . 0 0 "[ . 1 . 2]" 1
438 2 13 ILE H 4 129 ALA MB 3.140 . 4.480 3.310 2.671 4.012 . 0 0 "[ . 1 . 2]" 1
439 2 14 GLN H 2 15 ARG H 1.960 . 2.120 2.258 2.087 2.429 0.309 20 0 "[ . 1 . 2]" 1
440 2 14 GLN H 2 83 ILE H 3.100 . 4.400 4.666 4.283 4.924 0.524 12 1 "[ . 1 + . 2]" 1
441 2 14 GLN H 2 84 PHE QD 3.510 . 5.220 3.739 3.236 4.366 . 0 0 "[ . 1 . 2]" 1
442 2 15 ARG H 2 16 ILE H 3.120 . 4.440 4.141 3.984 4.275 . 0 0 "[ . 1 . 2]" 1
443 2 15 ARG H 2 83 ILE H 2.520 . 3.240 3.319 3.020 3.480 0.240 5 0 "[ . 1 . 2]" 1
444 2 16 ILE H 2 17 TYR H 3.230 . 4.660 4.464 4.390 4.508 . 0 0 "[ . 1 . 2]" 1
445 2 17 TYR H 2 18 THR H 3.180 . 4.560 4.273 4.192 4.349 . 0 0 "[ . 1 . 2]" 1
446 2 17 TYR H 2 81 GLY H 2.880 . 3.960 3.883 3.655 4.094 0.134 11 0 "[ . 1 . 2]" 1
447 2 17 TYR QD 2 18 THR H 3.100 . 4.400 3.989 3.336 4.282 . 0 0 "[ . 1 . 2]" 1
448 2 17 TYR QE 2 83 ILE H 3.490 . 5.180 2.927 2.368 3.541 . 0 0 "[ . 1 . 2]" 1
449 2 18 THR H 2 19 LYS H 3.270 . 4.740 4.447 4.316 4.498 . 0 0 "[ . 1 . 2]" 1
450 2 19 LYS H 2 20 ASP H 2.090 . 2.380 2.225 2.106 2.417 0.037 6 0 "[ . 1 . 2]" 1
451 2 19 LYS H 2 79 GLN H 3.140 . 4.480 4.161 3.718 4.554 0.074 11 0 "[ . 1 . 2]" 1
452 2 19 LYS H 2 81 GLY H 2.670 . 3.540 3.043 2.658 3.387 . 0 0 "[ . 1 . 2]" 1
453 2 20 ASP H 2 21 ILE H 3.150 . 4.500 4.244 4.170 4.308 . 0 0 "[ . 1 . 2]" 1
454 2 20 ASP H 2 79 GLN H 2.680 . 3.570 3.156 2.969 3.445 . 0 0 "[ . 1 . 2]" 1
455 2 21 ILE H 2 22 SER H 3.220 . 4.640 4.279 4.218 4.324 . 0 0 "[ . 1 . 2]" 1
456 2 22 SER H 2 23 PHE H 3.130 . 4.460 4.094 3.786 4.275 . 0 0 "[ . 1 . 2]" 1
457 2 22 SER H 2 77 GLU H 2.540 . 3.280 3.156 2.685 3.427 0.147 3 0 "[ . 1 . 2]" 1
458 2 22 SER H 2 78 VAL H 3.500 . 5.200 5.084 4.968 5.186 . 0 0 "[ . 1 . 2]" 1
459 2 22 SER H 2 78 VAL MG2 2.960 . 4.120 3.942 3.084 4.221 0.101 1 0 "[ . 1 . 2]" 1
460 2 23 PHE H 2 24 GLU H 2.910 . 4.020 3.983 3.757 4.213 0.193 2 0 "[ . 1 . 2]" 1
461 2 23 PHE H 2 77 GLU H 3.400 . 5.000 5.091 4.850 5.249 0.249 7 0 "[ . 1 . 2]" 1
462 2 23 PHE QD 2 24 GLU H 2.940 . 4.080 3.791 3.391 3.975 . 0 0 "[ . 1 . 2]" 1
463 2 23 PHE QE 2 121 GLY H 3.070 . 4.340 3.712 3.366 4.093 . 0 0 "[ . 1 . 2]" 1
464 2 24 GLU H 2 25 ALA H 3.260 . 4.720 4.199 4.065 4.418 . 0 0 "[ . 1 . 2]" 1
465 2 24 GLU H 2 75 LEU H 2.600 . 3.400 2.997 2.677 3.260 . 0 0 "[ . 1 . 2]" 1
466 2 25 ALA MB 2 28 ALA H 2.990 . 4.180 3.234 2.817 3.436 . 0 0 "[ . 1 . 2]" 1
467 2 25 ALA MB 2 28 ALA MB 2.560 . 3.320 1.824 1.702 1.943 0.098 12 0 "[ . 1 . 2]" 1
468 2 27 ASN H 2 28 ALA H 2.390 . 2.980 2.561 2.249 2.785 . 0 0 "[ . 1 . 2]" 1
469 2 27 ASN H 2 31 VAL H 3.470 . 5.140 5.729 5.326 6.065 0.925 16 15 "[****-*** 1** *.+ ***]" 1
470 2 28 ALA H 2 30 HIS H 3.020 . 4.240 4.688 4.479 5.156 0.916 12 5 "[ *. 1*+ .* -2]" 1
471 2 28 ALA H 2 31 VAL H 3.290 . 4.780 4.870 4.730 5.042 0.262 12 0 "[ . 1 . 2]" 1
472 2 28 ALA MB 2 32 PHE QE 3.410 . 5.020 3.272 3.004 3.563 . 0 0 "[ . 1 . 2]" 1
473 2 30 HIS H 2 31 VAL H 2.330 . 2.860 2.281 2.192 2.497 . 0 0 "[ . 1 . 2]" 1
474 2 30 HIS H 2 32 PHE H 2.900 . 4.000 3.971 3.803 4.253 0.253 4 0 "[ . 1 . 2]" 1
475 2 31 VAL H 2 32 PHE H 2.400 . 3.000 2.577 2.416 2.755 . 0 0 "[ . 1 . 2]" 1
476 2 31 VAL H 2 33 GLN H 3.230 . 4.660 4.428 4.301 4.554 . 0 0 "[ . 1 . 2]" 1
477 2 31 VAL MG1 2 32 PHE H 2.430 . 3.060 2.738 2.597 3.013 . 0 0 "[ . 1 . 2]" 1
478 2 31 VAL MG1 2 32 PHE QD 3.240 . 4.680 3.325 3.022 3.633 . 0 0 "[ . 1 . 2]" 1
479 2 31 VAL MG1 2 68 LEU MD1 3.180 . 4.560 2.666 2.101 3.033 . 0 0 "[ . 1 . 2]" 1
480 2 31 VAL MG1 2 123 PHE QE 2.680 . 3.560 2.020 1.778 2.260 0.022 17 0 "[ . 1 . 2]" 1
481 2 31 VAL MG2 2 32 PHE H 3.430 . 5.060 4.219 4.085 4.315 . 0 0 "[ . 1 . 2]" 1
482 2 31 VAL MG2 2 34 LYS H 3.450 . 5.100 4.152 3.941 4.322 . 0 0 "[ . 1 . 2]" 1
483 2 31 VAL MG2 2 68 LEU H 3.140 . 4.480 3.125 2.932 3.307 . 0 0 "[ . 1 . 2]" 1
484 2 31 VAL MG2 2 68 LEU MD1 2.400 . 3.000 1.854 1.623 2.123 0.177 13 0 "[ . 1 . 2]" 1
485 2 31 VAL MG2 2 68 LEU MD2 3.430 . 5.060 3.948 3.844 4.130 . 0 0 "[ . 1 . 2]" 1
486 2 31 VAL MG2 2 73 ALA MB 3.250 . 4.700 2.661 2.356 3.028 . 0 0 "[ . 1 . 2]" 1
487 2 32 PHE H 2 33 GLN H 2.370 . 2.940 2.727 2.548 2.837 . 0 0 "[ . 1 . 2]" 1
488 2 32 PHE H 2 34 LYS H 3.180 . 4.560 4.332 4.158 4.513 . 0 0 "[ . 1 . 2]" 1
489 2 32 PHE QD 2 33 GLN H 3.370 . 4.940 4.736 4.573 4.816 . 0 0 "[ . 1 . 2]" 1
490 2 33 GLN H 2 34 LYS H 2.320 . 2.840 2.622 2.547 2.730 . 0 0 "[ . 1 . 2]" 1
491 2 34 LYS H 2 35 ASP H 3.180 . 4.560 4.080 3.624 4.302 . 0 0 "[ . 1 . 2]" 1
492 2 35 ASP H 2 36 TRP H 2.970 . 4.140 3.898 3.701 4.078 . 0 0 "[ . 1 . 2]" 1
493 2 35 ASP H 2 36 TRP HE3 2.520 . 3.240 3.389 2.965 3.823 0.583 3 3 "[ + . 1 * - 2]" 1
494 2 35 ASP H 2 36 TRP HZ3 2.930 . 4.060 3.859 3.358 4.387 0.327 18 0 "[ . 1 . 2]" 1
495 2 36 TRP H 2 37 GLN H 3.150 . 4.500 4.356 4.319 4.394 . 0 0 "[ . 1 . 2]" 1
496 2 36 TRP H 2 68 LEU MD2 2.920 . 4.040 2.827 2.507 3.193 . 0 0 "[ . 1 . 2]" 1
497 2 36 TRP HE1 2 39 GLU H 3.400 . 5.000 4.049 3.263 4.629 . 0 0 "[ . 1 . 2]" 1
498 2 36 TRP HE1 2 68 LEU MD2 2.380 . 2.960 2.585 2.345 2.871 . 0 0 "[ . 1 . 2]" 1
499 2 36 TRP HE1 2 69 GLY H 2.470 . 3.150 2.799 2.127 3.458 0.308 10 0 "[ . 1 . 2]" 1
500 2 39 GLU H 2 40 VAL H 3.260 . 4.720 4.401 4.256 4.580 . 0 0 "[ . 1 . 2]" 1
501 2 39 GLU H 2 67 SER H 2.600 . 3.400 3.182 2.906 3.660 0.260 11 0 "[ . 1 . 2]" 1
502 2 40 VAL H 2 41 LYS H 3.300 . 4.800 4.467 4.242 4.565 . 0 0 "[ . 1 . 2]" 1
503 2 40 VAL QG 2 41 LYS H 2.480 . 3.160 2.940 2.193 3.540 0.380 3 0 "[ . 1 . 2]" 1
504 2 40 VAL QG 2 64 VAL QG 3.150 . 4.500 2.470 1.633 3.720 0.167 12 0 "[ . 1 . 2]" 1
505 2 40 VAL QG 2 126 LEU QD 2.830 . 3.100 1.862 1.616 2.579 0.184 16 0 "[ . 1 . 2]" 1
506 2 40 VAL QG 2 128 LEU QD 3.250 . 4.700 3.964 2.861 5.020 0.320 8 0 "[ . 1 . 2]" 1
507 2 41 LYS H 2 42 LEU H 3.120 . 4.440 4.128 3.602 4.479 0.039 13 0 "[ . 1 . 2]" 1
508 2 41 LYS H 2 64 VAL QG 3.270 . 4.740 3.549 2.929 4.272 . 0 0 "[ . 1 . 2]" 1
509 2 41 LYS H 2 65 THR H 3.010 . 4.220 3.085 2.590 3.612 . 0 0 "[ . 1 . 2]" 1
510 2 42 LEU H 2 43 ASP H 3.290 . 4.780 4.508 4.367 4.608 . 0 0 "[ . 1 . 2]" 1
511 2 42 LEU QD 2 43 ASP H 3.310 . 4.820 3.345 1.846 4.234 . 0 0 "[ . 1 . 2]" 1
512 2 42 LEU QD 2 44 LEU H 3.490 . 5.180 4.616 3.114 6.814 1.634 6 2 "[ .+ 1 .- 2]" 1
513 2 42 LEU QD 2 44 LEU QD 3.040 . 4.280 3.347 2.052 5.165 0.885 6 1 "[ .+ 1 . 2]" 1
514 2 42 LEU QD 6 8 LEU QB 3.000 . 4.200 3.598 1.937 4.974 0.774 16 1 "[ . 1 .+ 2]" 1
515 2 43 ASP H 2 44 LEU H 2.920 . 4.040 4.171 3.849 4.377 0.337 5 0 "[ . 1 . 2]" 1
516 2 43 ASP H 2 44 LEU QD 2.960 . 4.120 4.071 2.811 5.278 1.158 3 5 "[* + * 1 * -. 2]" 1
517 2 43 ASP H 2 63 THR H 2.950 . 4.100 3.299 2.708 3.799 . 0 0 "[ . 1 . 2]" 1
518 2 43 ASP H 2 65 THR H 3.470 . 5.140 5.129 4.602 5.630 0.490 13 0 "[ . 1 . 2]" 1
519 2 44 LEU H 2 45 ASP H 3.240 . 4.680 4.427 4.249 4.587 . 0 0 "[ . 1 . 2]" 1
520 2 44 LEU H 2 63 THR H 3.290 . 4.780 4.879 4.607 5.116 0.336 11 0 "[ . 1 . 2]" 1
521 2 44 LEU QD 2 60 LEU QD 3.300 . 4.800 2.021 1.637 3.336 0.163 18 0 "[ . 1 . 2]" 1
522 2 44 LEU QD 2 62 VAL QG 2.760 . 3.500 2.445 1.852 4.195 0.695 6 1 "[ .+ 1 . 2]" 1
523 2 44 LEU QD 2 63 THR H 3.380 . 4.960 3.931 3.072 5.305 0.345 14 0 "[ . 1 . 2]" 1
524 2 44 LEU QD 6 10 LEU QB 3.530 . 5.250 5.705 4.820 7.913 2.663 12 9 "[* * ** 1-+ . ** *]" 1
525 2 44 LEU QD 6 12 PRO QD 3.000 . 4.200 4.165 2.405 5.591 1.391 20 7 "[*** - 1 . ** +]" 1
526 2 45 ASP H 2 46 THR H 3.230 . 4.660 4.375 4.283 4.485 . 0 0 "[ . 1 . 2]" 1
527 2 45 ASP H 2 61 ARG H 2.700 . 3.600 3.334 2.870 3.694 0.094 1 0 "[ . 1 . 2]" 1
528 2 45 ASP H 2 62 VAL H 3.470 . 5.140 5.116 4.822 5.420 0.280 16 0 "[ . 1 . 2]" 1
529 2 45 ASP H 2 63 THR H 3.270 . 4.740 4.711 4.158 5.020 0.280 16 0 "[ . 1 . 2]" 1
530 2 46 THR H 2 47 ALA H 3.200 . 4.600 4.310 4.086 4.474 . 0 0 "[ . 1 . 2]" 1
531 2 47 ALA H 2 48 SER H 3.020 . 4.240 4.309 4.096 4.500 0.260 20 0 "[ . 1 . 2]" 1
532 2 47 ALA H 2 59 VAL H 3.060 . 4.320 3.865 3.388 4.353 0.033 2 0 "[ . 1 . 2]" 1
533 2 47 ALA H 2 61 ARG H 3.090 . 4.380 4.216 3.737 4.701 0.321 17 0 "[ . 1 . 2]" 1
534 2 47 ALA MB 2 48 SER H 2.930 . 4.060 2.969 2.502 3.367 . 0 0 "[ . 1 . 2]" 1
535 2 48 SER H 2 49 SER H 3.210 . 4.620 4.413 4.392 4.441 . 0 0 "[ . 1 . 2]" 1
536 2 48 SER H 2 59 VAL H 3.370 . 4.940 4.930 4.626 5.352 0.412 19 0 "[ . 1 . 2]" 1
537 2 49 SER H 2 50 GLN H 3.190 . 4.580 4.237 4.133 4.321 . 0 0 "[ . 1 . 2]" 1
538 2 49 SER H 2 57 GLU H 2.810 . 3.820 3.184 2.603 3.687 . 0 0 "[ . 1 . 2]" 1
539 2 49 SER H 2 58 VAL H 3.470 . 5.140 5.244 4.949 5.774 0.634 15 1 "[ . 1 + 2]" 1
540 2 49 SER H 2 58 VAL QG 3.520 . 5.240 4.594 4.004 5.491 0.251 15 0 "[ . 1 . 2]" 1
541 2 49 SER H 2 59 VAL H 3.310 . 4.820 4.980 4.628 5.590 0.770 15 1 "[ . 1 + 2]" 1
542 2 50 GLN H 2 51 LEU H 3.220 . 4.640 4.370 4.113 4.531 . 0 0 "[ . 1 . 2]" 1
543 2 50 GLN H 2 57 GLU H 3.330 . 4.860 5.024 4.778 5.382 0.522 7 1 "[ . + 1 . 2]" 1
544 2 51 LEU H 2 52 ALA H 2.180 . 2.560 2.356 2.121 2.588 0.028 10 0 "[ . 1 . 2]" 1
545 2 51 LEU H 2 55 VAL H 3.510 . 5.220 5.016 4.601 5.439 0.219 12 0 "[ . 1 . 2]" 1
546 2 51 LEU H 2 55 VAL MG1 3.080 . 4.360 3.515 3.167 3.984 . 0 0 "[ . 1 . 2]" 1
547 2 51 LEU H 2 56 TYR H 3.340 . 4.880 4.817 4.351 5.197 0.317 11 0 "[ . 1 . 2]" 1
548 2 51 LEU H 2 57 GLU H 2.660 . 3.520 3.950 3.261 4.572 1.052 4 9 "[ +.*** 1 *-* **2]" 1
549 2 51 LEU MD1 2 55 VAL MG1 2.810 . 3.820 2.214 2.030 2.402 . 0 0 "[ . 1 . 2]" 1
550 2 51 LEU MD1 2 57 GLU H 3.510 . 5.220 4.318 3.550 4.978 . 0 0 "[ . 1 . 2]" 1
551 2 51 LEU MD2 2 57 GLU H 3.150 . 4.500 4.167 3.097 4.988 0.488 19 0 "[ . 1 . 2]" 1
552 2 52 ALA H 2 53 ASP H 3.170 . 4.540 4.315 4.275 4.367 . 0 0 "[ . 1 . 2]" 1
553 2 52 ALA H 2 55 VAL H 2.910 . 4.020 3.573 3.325 3.934 . 0 0 "[ . 1 . 2]" 1
554 2 52 ALA H 2 55 VAL MG1 2.790 . 3.780 3.313 2.897 3.753 . 0 0 "[ . 1 . 2]" 1
555 2 52 ALA H 2 55 VAL MG2 3.410 . 5.020 4.209 3.989 4.383 . 0 0 "[ . 1 . 2]" 1
556 2 52 ALA MB 2 53 ASP H 2.310 . 2.820 1.932 1.770 2.336 0.030 7 0 "[ . 1 . 2]" 1
557 2 52 ALA MB 2 55 VAL MG2 3.510 . 5.220 2.664 2.280 2.895 . 0 0 "[ . 1 . 2]" 1
558 2 53 ASP H 2 54 ASP H 3.310 . 4.820 4.488 4.324 4.599 . 0 0 "[ . 1 . 2]" 1
559 2 53 ASP H 2 55 VAL H 3.380 . 4.960 4.172 3.962 4.341 . 0 0 "[ . 1 . 2]" 1
560 2 54 ASP H 2 55 VAL H 2.350 . 2.900 2.787 2.610 2.944 0.044 15 0 "[ . 1 . 2]" 1
561 2 55 VAL H 2 56 TYR H 3.050 . 4.300 4.185 3.913 4.353 0.053 18 0 "[ . 1 . 2]" 1
562 2 55 VAL MG1 2 56 TYR H 2.780 . 3.760 3.008 2.785 3.203 . 0 0 "[ . 1 . 2]" 1
563 2 55 VAL MG1 2 84 PHE H 3.490 . 5.180 3.966 3.487 4.524 . 0 0 "[ . 1 . 2]" 1
564 2 55 VAL MG2 2 56 TYR H 3.460 . 5.120 4.169 3.980 4.271 . 0 0 "[ . 1 . 2]" 1
565 2 56 TYR H 2 57 GLU H 3.200 . 4.600 4.387 4.308 4.486 . 0 0 "[ . 1 . 2]" 1
566 2 56 TYR H 2 84 PHE H 2.850 . 3.900 3.549 3.392 3.811 . 0 0 "[ . 1 . 2]" 1
567 2 56 TYR H 2 86 ILE H 3.130 . 4.460 3.672 2.962 4.801 0.341 8 0 "[ . 1 . 2]" 1
568 2 56 TYR QD 2 57 GLU H 3.190 . 4.580 3.283 2.352 4.172 . 0 0 "[ . 1 . 2]" 1
569 2 56 TYR QD 2 58 VAL H 3.490 . 5.180 4.863 3.006 6.996 1.816 13 6 "[ *. 1* +-.** 2]" 1
570 2 56 TYR QD 2 58 VAL QG 3.110 . 4.410 3.029 1.949 4.723 0.313 17 0 "[ . 1 . 2]" 1
571 2 56 TYR QD 2 84 PHE H 3.340 . 4.880 5.353 3.586 6.440 1.560 14 10 "[ **** 1***+.-* 2]" 1
572 2 56 TYR QD 6 19 THR MG 3.000 . 4.200 7.153 5.484 9.581 5.381 4 20 [***+**-*************] 1
573 2 56 TYR QE 2 58 VAL QG 3.060 . 4.320 3.783 2.095 6.241 1.921 13 7 "[ *.- 1* +*.** 2]" 1
574 2 56 TYR QE 2 84 PHE H 3.450 . 5.100 7.173 4.098 8.539 3.439 14 17 "[******* *-***+.** **]" 1
575 2 56 TYR QE 2 84 PHE QD 3.320 . 4.840 6.685 2.095 8.892 4.052 14 17 "[*-***** *****+.** **]" 1
576 2 56 TYR QE 2 86 ILE H 3.470 . 5.140 6.324 2.612 8.703 3.563 1 12 "[+** *** ** * -. **]" 1
577 2 57 GLU H 2 58 VAL H 3.080 . 4.360 4.115 3.805 4.381 0.021 5 0 "[ . 1 . 2]" 1
578 2 58 VAL H 2 59 VAL H 3.300 . 4.800 4.411 4.294 4.512 . 0 0 "[ . 1 . 2]" 1
579 2 58 VAL H 2 82 GLY H 2.840 . 3.880 3.306 2.903 3.541 . 0 0 "[ . 1 . 2]" 1
580 2 58 VAL H 2 84 PHE H 3.090 . 4.380 4.132 3.764 4.510 0.130 15 0 "[ . 1 . 2]" 1
581 2 58 VAL H 2 84 PHE QD 3.310 . 4.820 3.003 2.484 3.643 . 0 0 "[ . 1 . 2]" 1
582 2 58 VAL H 2 84 PHE QE 3.390 . 4.980 3.460 3.008 3.774 . 0 0 "[ . 1 . 2]" 1
583 2 58 VAL QG 2 59 VAL H 2.380 . 2.960 2.985 2.541 3.498 0.538 9 2 "[ - +1 . 2]" 1
584 2 59 VAL H 2 60 LEU H 3.130 . 4.460 4.285 4.131 4.501 0.041 16 0 "[ . 1 . 2]" 1
585 2 59 VAL MG1 2 60 LEU H 2.720 . 3.640 2.920 2.269 3.215 . 0 0 "[ . 1 . 2]" 1
586 2 59 VAL MG1 2 80 GLN H 3.280 . 4.760 3.636 3.367 4.072 . 0 0 "[ . 1 . 2]" 1
587 2 59 VAL MG1 2 81 GLY H 3.320 . 4.840 3.503 3.217 3.885 . 0 0 "[ . 1 . 2]" 1
588 2 59 VAL MG2 2 82 GLY H 3.500 . 5.200 3.530 3.093 3.993 . 0 0 "[ . 1 . 2]" 1
589 2 60 LEU H 2 61 ARG H 3.120 . 4.440 4.212 4.039 4.384 . 0 0 "[ . 1 . 2]" 1
590 2 60 LEU H 2 80 GLN H 2.840 . 3.880 3.694 3.313 4.032 0.152 6 0 "[ . 1 . 2]" 1
591 2 60 LEU QD 2 61 ARG H 3.200 . 4.600 2.935 2.383 3.538 . 0 0 "[ . 1 . 2]" 1
592 2 60 LEU QD 2 62 VAL QG 2.890 . 3.990 2.636 2.103 4.283 0.293 13 0 "[ . 1 . 2]" 1
593 2 60 LEU QD 6 12 PRO QD 3.000 . 4.200 5.735 4.084 7.501 3.301 3 16 "[**+ *** *-******* *]" 1
594 2 61 ARG H 2 62 VAL H 3.180 . 4.560 4.352 4.266 4.515 . 0 0 "[ . 1 . 2]" 1
595 2 62 VAL H 2 63 THR H 3.160 . 4.520 4.130 3.928 4.354 . 0 0 "[ . 1 . 2]" 1
596 2 62 VAL H 2 78 VAL H 2.620 . 3.440 3.338 3.011 3.473 0.033 14 0 "[ . 1 . 2]" 1
597 2 62 VAL H 2 80 GLN H 3.140 . 4.480 4.150 3.937 4.644 0.164 6 0 "[ . 1 . 2]" 1
598 2 62 VAL QG 2 63 THR H 2.850 . 3.900 3.096 2.627 3.297 . 0 0 "[ . 1 . 2]" 1
599 2 62 VAL QG 2 64 VAL QG 3.110 . 4.420 2.534 2.265 2.931 . 0 0 "[ . 1 . 2]" 1
600 2 62 VAL QG 2 110 ALA MB 3.060 . 4.320 2.205 2.028 2.346 . 0 0 "[ . 1 . 2]" 1
601 2 62 VAL QG 2 128 LEU QD 3.190 . 4.580 2.480 1.863 3.449 . 0 0 "[ . 1 . 2]" 1
602 2 63 THR H 2 64 VAL H 3.280 . 4.760 4.436 4.285 4.500 . 0 0 "[ . 1 . 2]" 1
603 2 64 VAL H 2 65 THR H 2.880 . 3.960 4.161 3.715 4.363 0.403 19 0 "[ . 1 . 2]" 1
604 2 64 VAL H 2 76 CYS H 2.550 . 3.300 3.466 3.096 3.715 0.415 15 0 "[ . 1 . 2]" 1
605 2 64 VAL H 2 77 GLU H 3.510 . 5.220 4.766 4.429 5.003 . 0 0 "[ . 1 . 2]" 1
606 2 64 VAL QG 2 65 THR H 3.090 . 4.380 2.813 2.476 3.334 . 0 0 "[ . 1 . 2]" 1
607 2 64 VAL QG 2 126 LEU QD 3.020 . 4.240 2.436 1.892 3.620 . 0 0 "[ . 1 . 2]" 1
608 2 64 VAL QG 2 128 LEU QD . . 3.320 2.827 2.077 4.162 0.842 19 1 "[ . 1 . +2]" 1
609 2 65 THR H 2 66 ALA H 3.300 . 4.800 4.467 4.320 4.592 . 0 0 "[ . 1 . 2]" 1
610 2 66 ALA H 2 67 SER H 3.170 . 4.540 4.278 4.117 4.372 . 0 0 "[ . 1 . 2]" 1
611 2 66 ALA H 2 73 ALA H 3.130 . 4.460 4.486 4.130 4.697 0.237 14 0 "[ . 1 . 2]" 1
612 2 66 ALA H 2 73 ALA MB 3.470 . 5.140 4.433 4.301 4.814 . 0 0 "[ . 1 . 2]" 1
613 2 66 ALA H 2 74 PHE H 2.590 . 3.380 3.478 3.301 3.651 0.271 14 0 "[ . 1 . 2]" 1
614 2 66 ALA H 2 75 LEU MD2 2.600 . 3.400 2.740 2.545 3.065 . 0 0 "[ . 1 . 2]" 1
615 2 66 ALA MB 2 67 SER H 2.770 . 3.740 2.916 2.731 3.152 . 0 0 "[ . 1 . 2]" 1
616 2 66 ALA MB 2 73 ALA H 3.400 . 5.000 3.918 3.412 4.163 . 0 0 "[ . 1 . 2]" 1
617 2 66 ALA MB 2 73 ALA MB 2.770 . 3.740 2.547 2.231 2.942 . 0 0 "[ . 1 . 2]" 1
618 2 66 ALA MB 2 74 PHE H 2.980 . 4.160 2.551 2.121 2.962 . 0 0 "[ . 1 . 2]" 1
619 2 66 ALA MB 2 74 PHE QD 3.300 . 4.800 2.972 2.881 3.035 . 0 0 "[ . 1 . 2]" 1
620 2 66 ALA MB 2 74 PHE QE 2.880 . 3.960 2.783 2.690 2.838 . 0 0 "[ . 1 . 2]" 1
621 2 66 ALA MB 2 126 LEU QD 3.350 . 4.900 3.696 2.772 4.955 0.055 19 0 "[ . 1 . 2]" 1
622 2 67 SER H 2 68 LEU H 3.180 . 4.560 4.220 4.132 4.345 . 0 0 "[ . 1 . 2]" 1
623 2 67 SER H 2 73 ALA H 3.120 . 4.440 4.103 3.921 4.288 . 0 0 "[ . 1 . 2]" 1
624 2 67 SER H 2 73 ALA MB 3.230 . 4.660 3.614 3.368 3.996 . 0 0 "[ . 1 . 2]" 1
625 2 68 LEU H 2 69 GLY H 3.040 . 4.280 4.222 4.061 4.418 0.138 9 0 "[ . 1 . 2]" 1
626 2 68 LEU H 2 71 GLU H 2.870 . 3.940 4.099 3.829 4.360 0.420 6 0 "[ . 1 . 2]" 1
627 2 68 LEU H 2 72 THR H 3.470 . 5.140 5.235 4.880 5.490 0.350 4 0 "[ . 1 . 2]" 1
628 2 68 LEU H 2 73 ALA H 2.340 . 2.880 2.949 2.608 3.199 0.319 12 0 "[ . 1 . 2]" 1
629 2 68 LEU H 2 73 ALA MB 2.770 . 3.740 2.410 2.113 2.790 . 0 0 "[ . 1 . 2]" 1
630 2 68 LEU MD1 2 73 ALA MB 2.840 . 3.880 2.274 1.812 2.606 . 0 0 "[ . 1 . 2]" 1
631 2 68 LEU MD1 2 123 PHE QE 3.530 . 5.250 2.641 2.087 3.384 . 0 0 "[ . 1 . 2]" 1
632 2 68 LEU MD2 2 69 GLY H 3.240 . 4.680 3.676 3.244 4.027 . 0 0 "[ . 1 . 2]" 1
633 2 69 GLY H 2 70 GLU H 3.230 . 4.660 4.450 4.324 4.600 . 0 0 "[ . 1 . 2]" 1
634 2 69 GLY H 2 71 GLU H 3.240 . 4.680 4.676 4.426 4.840 0.160 19 0 "[ . 1 . 2]" 1
635 2 70 GLU H 2 71 GLU H 2.320 . 2.840 2.375 2.045 2.751 . 0 0 "[ . 1 . 2]" 1
636 2 71 GLU H 2 72 THR H 3.190 . 4.580 4.455 4.368 4.509 . 0 0 "[ . 1 . 2]" 1
637 2 72 THR H 2 73 ALA H 3.250 . 4.700 4.492 4.368 4.620 . 0 0 "[ . 1 . 2]" 1
638 2 73 ALA H 2 74 PHE H 2.340 . 2.880 2.563 2.323 2.746 . 0 0 "[ . 1 . 2]" 1
639 2 73 ALA MB 2 74 PHE H 2.470 . 3.140 2.127 2.016 2.440 . 0 0 "[ . 1 . 2]" 1
640 2 73 ALA MB 2 74 PHE QD 3.200 . 4.600 2.576 2.394 3.083 . 0 0 "[ . 1 . 2]" 1
641 2 73 ALA MB 2 74 PHE QE 3.440 . 5.080 3.636 3.390 4.117 . 0 0 "[ . 1 . 2]" 1
642 2 74 PHE H 2 75 LEU H 3.060 . 4.320 4.323 4.290 4.353 0.033 3 0 "[ . 1 . 2]" 1
643 2 74 PHE H 2 75 LEU MD2 3.180 . 4.560 4.198 3.914 4.502 . 0 0 "[ . 1 . 2]" 1
644 2 74 PHE QD 2 75 LEU H 3.300 . 4.800 3.357 3.050 3.675 . 0 0 "[ . 1 . 2]" 1
645 2 74 PHE QD 2 123 PHE QD 3.170 . 4.540 3.016 2.794 3.153 . 0 0 "[ . 1 . 2]" 1
646 2 74 PHE QD 2 123 PHE QE 3.250 . 4.700 3.358 3.164 3.815 . 0 0 "[ . 1 . 2]" 1
647 2 74 PHE QE 2 118 VAL MG1 3.190 . 4.580 2.878 2.687 3.125 . 0 0 "[ . 1 . 2]" 1
648 2 74 PHE QE 2 118 VAL MG2 3.250 . 4.700 2.448 2.094 2.755 . 0 0 "[ . 1 . 2]" 1
649 2 74 PHE QE 2 123 PHE QD 3.430 . 5.060 3.564 3.305 4.040 . 0 0 "[ . 1 . 2]" 1
650 2 74 PHE QE 2 126 LEU QD 3.360 . 4.920 3.413 2.309 4.927 0.007 19 0 "[ . 1 . 2]" 1
651 2 75 LEU H 2 76 CYS H 3.130 . 4.460 4.187 4.024 4.450 . 0 0 "[ . 1 . 2]" 1
652 2 76 CYS H 2 77 GLU H 3.200 . 4.600 4.399 3.975 4.498 . 0 0 "[ . 1 . 2]" 1
653 2 77 GLU H 2 78 VAL H 3.100 . 4.400 4.074 3.989 4.267 . 0 0 "[ . 1 . 2]" 1
654 2 77 GLU H 2 78 VAL MG2 3.300 . 4.800 3.451 3.335 3.905 . 0 0 "[ . 1 . 2]" 1
655 2 78 VAL H 2 79 GLN H 3.220 . 4.640 4.386 4.334 4.456 . 0 0 "[ . 1 . 2]" 1
656 2 78 VAL MG1 2 79 GLN H 2.430 . 3.060 2.333 2.219 2.406 . 0 0 "[ . 1 . 2]" 1
657 2 78 VAL MG1 2 80 GLN H 3.090 . 4.380 3.032 2.726 3.176 . 0 0 "[ . 1 . 2]" 1
658 2 78 VAL MG1 2 110 ALA MB 3.450 . 5.100 2.762 2.536 3.023 . 0 0 "[ . 1 . 2]" 1
659 2 78 VAL MG2 2 79 GLN H 3.340 . 4.880 3.980 3.763 4.051 . 0 0 "[ . 1 . 2]" 1
660 2 78 VAL MG2 2 114 ILE H 3.220 . 4.640 2.735 2.612 2.997 . 0 0 "[ . 1 . 2]" 1
661 2 79 GLN H 2 80 GLN H 2.960 . 4.120 3.929 3.688 4.095 . 0 0 "[ . 1 . 2]" 1
662 2 80 GLN H 2 81 GLY H 3.220 . 4.640 4.177 4.066 4.348 . 0 0 "[ . 1 . 2]" 1
663 2 80 GLN H 2 110 ALA MB 2.990 . 4.180 3.374 3.163 3.687 . 0 0 "[ . 1 . 2]" 1
664 2 81 GLY H 2 82 GLY H 3.260 . 4.720 4.530 4.481 4.574 . 0 0 "[ . 1 . 2]" 1
665 2 82 GLY H 2 83 ILE H 3.220 . 4.640 4.074 3.963 4.204 . 0 0 "[ . 1 . 2]" 1
666 2 82 GLY H 2 84 PHE QE 3.080 . 4.360 4.020 3.687 4.320 . 0 0 "[ . 1 . 2]" 1
667 2 83 ILE H 2 84 PHE H 3.220 . 4.640 4.466 4.402 4.495 . 0 0 "[ . 1 . 2]" 1
668 2 84 PHE H 2 85 SER H 3.230 . 4.660 4.326 4.203 4.415 . 0 0 "[ . 1 . 2]" 1
669 2 84 PHE QD 2 85 SER H 3.360 . 4.920 4.321 3.917 4.668 . 0 0 "[ . 1 . 2]" 1
670 2 85 SER H 2 86 ILE H 3.170 . 4.540 4.215 3.945 4.434 . 0 0 "[ . 1 . 2]" 1
671 2 86 ILE H 2 87 ALA H 3.210 . 4.620 4.359 4.007 4.570 . 0 0 "[ . 1 . 2]" 1
672 2 86 ILE MD 6 19 THR HG1 3.000 . 4.200 8.673 6.922 10.601 6.401 5 20 [****+**************-] 1
673 2 86 ILE MD 6 19 THR MG 3.000 . 4.200 7.826 6.374 9.398 5.198 12 20 [***********+*****-**] 1
674 2 87 ALA H 2 88 GLY H 3.150 . 4.500 4.389 4.294 4.433 . 0 0 "[ . 1 . 2]" 1
675 2 87 ALA H 2 89 ILE H 3.130 . 4.460 4.387 3.957 4.866 0.406 9 0 "[ . 1 . 2]" 1
676 2 87 ALA H 2 94 MET ME 3.500 . 5.200 8.444 4.022 10.122 4.922 11 18 "[** *******+***-*** *]" 1
677 2 87 ALA MB 2 88 GLY H 2.760 . 3.720 2.412 2.221 2.902 . 0 0 "[ . 1 . 2]" 1
678 2 88 GLY H 2 89 ILE H 2.800 . 3.800 3.463 2.911 3.753 . 0 0 "[ . 1 . 2]" 1
679 2 88 GLY H 2 94 MET ME 3.410 . 5.020 7.990 4.720 10.209 5.189 11 19 "[**********+******- *]" 1
680 2 89 ILE H 2 90 GLU H 3.330 . 4.860 4.597 4.518 4.640 . 0 0 "[ . 1 . 2]" 1
681 2 89 ILE H 2 94 MET ME 3.500 . 5.200 7.133 3.383 8.411 3.211 17 16 "[** **-********.*+ *]" 1
682 2 90 GLU H 2 91 GLY H 3.200 . 4.600 4.354 4.258 4.427 . 0 0 "[ . 1 . 2]" 1
683 2 90 GLU H 2 94 MET H 3.060 . 4.320 4.189 3.363 4.540 0.220 14 0 "[ . 1 . 2]" 1
684 2 91 GLY H 2 92 THR H 3.200 . 4.600 4.540 4.400 4.608 0.008 2 0 "[ . 1 . 2]" 1
685 2 91 GLY H 2 94 MET H 3.160 . 4.520 4.238 3.642 4.690 0.170 11 0 "[ . 1 . 2]" 1
686 2 91 GLY H 2 95 ALA H 3.340 . 4.880 5.353 4.438 6.508 1.628 11 12 "[ ** ***-+* ** * *]" 1
687 2 92 THR H 2 93 GLN H 2.130 . 2.460 2.472 2.268 2.614 0.154 3 0 "[ . 1 . 2]" 1
688 2 92 THR H 2 94 MET H 2.870 . 3.940 4.217 3.826 4.527 0.587 7 1 "[ . + 1 . 2]" 1
689 2 92 THR H 2 95 ALA H 3.360 . 4.920 4.939 4.536 5.572 0.652 11 1 "[ . 1+ . 2]" 1
690 2 93 GLN H 2 94 MET H 2.360 . 2.920 2.655 2.488 2.798 . 0 0 "[ . 1 . 2]" 1
691 2 93 GLN H 2 95 ALA H 3.220 . 4.640 4.028 3.831 4.339 . 0 0 "[ . 1 . 2]" 1
692 2 94 MET H 2 95 ALA H 2.260 . 2.720 2.492 2.304 2.658 . 0 0 "[ . 1 . 2]" 1
693 2 94 MET H 2 96 HIS H 2.980 . 4.160 4.047 3.697 4.430 0.270 15 0 "[ . 1 . 2]" 1
694 2 94 MET H 2 97 CYS H 3.500 . 5.200 4.718 4.380 5.142 . 0 0 "[ . 1 . 2]" 1
695 2 94 MET ME 2 98 LEU QD 3.440 . 5.080 3.766 1.693 5.156 0.107 11 0 "[ . 1 . 2]" 1
696 2 94 MET ME 6 19 THR HG1 3.260 . 4.720 6.275 2.890 10.035 5.315 3 14 "[**+ * * ***-**** *2]" 1
697 2 94 MET ME 6 22 ARG QB 3.530 . 5.250 7.282 4.563 9.905 4.655 16 17 "[****-* **1****.+****]" 1
698 2 95 ALA H 2 96 HIS H 2.350 . 2.900 2.645 2.470 2.750 . 0 0 "[ . 1 . 2]" 1
699 2 95 ALA H 2 97 CYS H 3.200 . 4.600 4.026 3.902 4.293 . 0 0 "[ . 1 . 2]" 1
700 2 95 ALA H 2 98 LEU H 3.480 . 5.160 5.107 4.856 5.524 0.364 6 0 "[ . 1 . 2]" 1
701 2 95 ALA H 2 98 LEU QD 3.180 . 4.560 4.561 3.930 5.443 0.883 6 3 "[ - .+ 1 *. 2]" 1
702 2 95 ALA MB 2 96 HIS H 2.710 . 3.620 2.699 2.453 3.064 . 0 0 "[ . 1 . 2]" 1
703 2 95 ALA MB 2 98 LEU QD 3.440 . 5.080 4.403 3.311 5.244 0.164 14 0 "[ . 1 . 2]" 1
704 2 96 HIS H 2 97 CYS H 2.280 . 2.760 2.535 2.412 2.701 . 0 0 "[ . 1 . 2]" 1
705 2 96 HIS H 2 98 LEU H 3.130 . 4.460 4.532 4.045 4.990 0.530 4 1 "[ +. 1 . 2]" 1
706 2 96 HIS H 2 99 GLY H 3.320 . 4.840 4.620 4.439 4.796 . 0 0 "[ . 1 . 2]" 1
707 2 97 CYS H 2 98 LEU H 2.310 . 2.820 2.801 2.542 3.078 0.258 11 0 "[ . 1 . 2]" 1
708 2 97 CYS H 2 99 GLY H 2.820 . 3.840 3.743 3.433 4.173 0.333 10 0 "[ . 1 . 2]" 1
709 2 97 CYS H 2 100 ALA H 3.430 . 5.060 4.866 4.307 5.140 0.080 8 0 "[ . 1 . 2]" 1
710 2 97 CYS H 2 101 TYR H 3.420 . 5.040 5.005 4.499 5.247 0.207 6 0 "[ . 1 . 2]" 1
711 2 98 LEU H 2 99 GLY H 2.230 . 2.660 2.373 2.185 2.572 . 0 0 "[ . 1 . 2]" 1
712 2 98 LEU H 2 100 ALA H 3.070 . 4.340 4.113 3.623 4.411 0.071 18 0 "[ . 1 . 2]" 1
713 2 98 LEU H 2 101 TYR H 3.370 . 4.940 4.849 4.285 5.135 0.195 18 0 "[ . 1 . 2]" 1
714 2 98 LEU H 2 102 CYS H 3.430 . 5.060 4.894 4.613 5.154 0.094 12 0 "[ . 1 . 2]" 1
715 2 98 LEU QD 2 99 GLY H 3.300 . 4.800 3.435 2.262 4.406 . 0 0 "[ . 1 . 2]" 1
716 2 98 LEU QD 6 19 THR HG1 3.000 . 4.200 7.260 5.794 8.746 4.546 16 20 [********-******+****] 1
717 2 98 LEU QD 6 22 ARG QB 3.000 . 4.200 7.648 5.159 8.764 4.564 12 20 [*****-*****+********] 1
718 2 99 GLY H 2 100 ALA H 2.000 . 2.200 2.417 2.248 2.633 0.433 5 0 "[ . 1 . 2]" 1
719 2 99 GLY H 2 100 ALA MB 3.360 . 4.920 4.102 3.887 4.351 . 0 0 "[ . 1 . 2]" 1
720 2 99 GLY H 2 101 TYR H 2.780 . 3.760 4.042 3.770 4.418 0.658 5 3 "[ * + 1 - 2]" 1
721 2 99 GLY H 2 102 CYS H 3.090 . 4.380 4.689 4.373 5.136 0.756 5 3 "[- + 1 * . 2]" 1
722 2 100 ALA H 2 101 TYR H 1.980 . 2.160 2.159 1.963 2.418 0.258 5 0 "[ . 1 . 2]" 1
723 2 100 ALA H 2 102 CYS H 2.480 . 3.160 3.445 3.086 3.785 0.625 12 3 "[* . -1 + . 2]" 1
724 2 100 ALA MB 2 101 TYR H 2.550 . 3.300 2.356 2.074 2.616 . 0 0 "[ . 1 . 2]" 1
725 2 100 ALA MB 2 134 ASP H 3.360 . 4.920 2.942 2.182 3.603 . 0 0 "[ . 1 . 2]" 1
726 2 101 TYR H 2 102 CYS H 2.300 . 2.800 2.723 2.543 2.873 0.073 14 0 "[ . 1 . 2]" 1
727 2 101 TYR QD 2 102 CYS H 3.140 . 4.480 3.556 3.211 4.067 . 0 0 "[ . 1 . 2]" 1
728 2 109 TYR H 2 110 ALA H 2.300 . 2.800 2.627 2.543 2.690 . 0 0 "[ . 1 . 2]" 1
729 2 109 TYR H 2 111 ARG H 2.960 . 4.120 3.891 3.715 4.094 . 0 0 "[ . 1 . 2]" 1
730 2 109 TYR QD 2 110 ALA H 3.360 . 4.920 3.925 3.776 4.113 . 0 0 "[ . 1 . 2]" 1
731 2 110 ALA H 2 111 ARG H 2.140 . 2.480 2.606 2.535 2.680 0.200 11 0 "[ . 1 . 2]" 1
732 2 110 ALA H 2 112 GLU H 3.300 . 4.800 4.440 4.256 4.636 . 0 0 "[ . 1 . 2]" 1
733 2 110 ALA H 2 113 CYS H 3.430 . 5.060 4.794 4.657 4.951 . 0 0 "[ . 1 . 2]" 1
734 2 110 ALA MB 2 111 ARG H 2.690 . 3.580 2.586 2.484 2.719 . 0 0 "[ . 1 . 2]" 1
735 2 111 ARG H 2 112 GLU H 2.490 . 3.180 2.822 2.631 2.962 . 0 0 "[ . 1 . 2]" 1
736 2 111 ARG H 2 113 CYS H 2.990 . 4.180 3.943 3.666 4.140 . 0 0 "[ . 1 . 2]" 1
737 2 111 ARG H 2 114 ILE H 3.510 . 5.220 4.790 4.705 4.884 . 0 0 "[ . 1 . 2]" 1
738 2 112 GLU H 2 113 CYS H 2.350 . 2.900 2.621 2.544 2.729 . 0 0 "[ . 1 . 2]" 1
739 2 112 GLU H 2 114 ILE H 3.410 . 5.020 4.344 4.160 4.574 . 0 0 "[ . 1 . 2]" 1
740 2 113 CYS H 2 114 ILE H 2.440 . 3.080 2.667 2.576 2.829 . 0 0 "[ . 1 . 2]" 1
741 2 113 CYS H 2 115 THR H 3.110 . 4.410 4.226 4.048 4.384 . 0 0 "[ . 1 . 2]" 1
742 2 113 CYS H 2 116 SER H 3.400 . 5.000 4.609 4.466 4.686 . 0 0 "[ . 1 . 2]" 1
743 2 114 ILE H 2 115 THR H 2.400 . 3.000 2.717 2.610 2.831 . 0 0 "[ . 1 . 2]" 1
744 2 114 ILE H 2 116 SER H 3.090 . 4.380 3.951 3.806 4.047 . 0 0 "[ . 1 . 2]" 1
745 2 115 THR H 2 116 SER H 2.330 . 2.860 2.714 2.657 2.771 . 0 0 "[ . 1 . 2]" 1
746 2 115 THR H 2 117 MET H 3.300 . 4.800 4.365 4.231 4.462 . 0 0 "[ . 1 . 2]" 1
747 2 116 SER H 2 117 MET H 2.370 . 2.940 2.686 2.568 2.744 . 0 0 "[ . 1 . 2]" 1
748 2 116 SER H 2 118 VAL H 3.070 . 4.340 4.052 3.901 4.209 . 0 0 "[ . 1 . 2]" 1
749 2 117 MET H 2 118 VAL H 2.380 . 2.960 2.590 2.528 2.682 . 0 0 "[ . 1 . 2]" 1
750 2 117 MET H 2 119 SER H 3.260 . 4.720 4.094 3.953 4.238 . 0 0 "[ . 1 . 2]" 1
751 2 118 VAL H 2 119 SER H 2.400 . 3.000 2.658 2.555 2.732 . 0 0 "[ . 1 . 2]" 1
752 2 118 VAL MG1 2 119 SER H 3.040 . 4.280 3.382 3.259 3.479 . 0 0 "[ . 1 . 2]" 1
753 2 118 VAL MG1 2 123 PHE H 2.980 . 4.160 3.324 3.100 3.585 . 0 0 "[ . 1 . 2]" 1
754 2 118 VAL MG1 2 123 PHE QD 3.220 . 4.640 3.563 3.362 3.890 . 0 0 "[ . 1 . 2]" 1
755 2 118 VAL MG1 2 126 LEU H 3.380 . 4.960 3.497 2.805 3.836 . 0 0 "[ . 1 . 2]" 1
756 2 118 VAL MG2 2 119 SER H 3.270 . 4.740 3.785 3.685 3.885 . 0 0 "[ . 1 . 2]" 1
757 2 119 SER H 2 121 GLY H 3.110 . 4.410 4.061 3.983 4.174 . 0 0 "[ . 1 . 2]" 1
758 2 119 SER H 2 123 PHE H 3.530 . 5.250 5.035 4.788 5.285 0.035 14 0 "[ . 1 . 2]" 1
759 2 121 GLY H 2 122 THR H 2.330 . 2.860 2.621 2.522 2.726 . 0 0 "[ . 1 . 2]" 1
760 2 121 GLY H 2 123 PHE H 2.760 . 3.720 3.956 3.752 4.254 0.534 19 1 "[ . 1 . +2]" 1
761 2 122 THR H 2 123 PHE H 2.380 . 2.960 2.774 2.611 2.912 . 0 0 "[ . 1 . 2]" 1
762 2 125 GLN H 2 126 LEU H 3.320 . 4.830 4.533 4.426 4.628 . 0 0 "[ . 1 . 2]" 1
763 2 125 GLN H 3 125 GLN H 2.640 . 3.480 3.128 2.608 3.874 0.394 1 0 "[ . 1 . 2]" 1
764 2 126 LEU H 2 127 ASN H 2.710 . 3.620 4.012 3.717 4.350 0.730 18 4 "[ . -* .* + 2]" 1
765 2 126 LEU QD 2 127 ASN H 3.530 . 5.250 2.775 2.388 3.296 . 0 0 "[ . 1 . 2]" 1
766 2 126 LEU QD 6 6 ILE MG 3.530 . 5.250 3.495 1.771 5.941 0.691 15 1 "[ . 1 + 2]" 1
767 2 127 ASN H 2 128 LEU H 3.270 . 4.740 4.343 4.149 4.502 . 0 0 "[ . 1 . 2]" 1
768 2 128 LEU H 2 129 ALA H 3.300 . 4.800 4.602 4.524 4.648 . 0 0 "[ . 1 . 2]" 1
769 2 128 LEU QD 2 129 ALA H 3.210 . 4.620 3.265 1.713 4.251 0.087 6 0 "[ . 1 . 2]" 1
770 2 128 LEU QD 6 8 LEU QB 3.530 . 5.250 4.078 1.956 5.814 0.564 1 1 "[+ . 1 . 2]" 1
771 2 131 VAL QG 2 133 PHE QD 3.470 . 5.140 3.360 2.522 4.105 . 0 0 "[ . 1 . 2]" 1
772 2 131 VAL QG 2 133 PHE QE 2.860 . 3.920 3.165 2.320 4.632 0.712 4 2 "[ - +. 1 . 2]" 1
773 2 133 PHE H 2 134 ASP H 2.140 . 2.480 2.636 2.506 2.738 0.258 6 0 "[ . 1 . 2]" 1
774 2 133 PHE H 2 135 ALA H 2.930 . 4.060 4.388 4.126 4.651 0.591 18 4 "[ * . 1 - *+ 2]" 1
775 2 133 PHE H 2 136 LEU H 3.270 . 4.740 5.090 4.786 5.659 0.919 15 4 "[ .- * 1 + * 2]" 1
776 2 133 PHE QD 2 134 ASP H 3.260 . 4.720 4.007 3.609 4.420 . 0 0 "[ . 1 . 2]" 1
777 2 133 PHE QE 6 12 PRO QD 3.000 . 4.200 6.137 5.066 7.240 3.040 16 20 [*********-*****+****] 1
778 2 134 ASP H 2 135 ALA H 2.360 . 2.920 2.781 2.611 3.057 0.137 17 0 "[ . 1 . 2]" 1
779 2 134 ASP H 2 136 LEU H 3.070 . 4.340 4.194 3.899 4.596 0.256 6 0 "[ . 1 . 2]" 1
780 2 134 ASP H 2 137 PHE H 3.490 . 5.180 4.996 4.783 5.362 0.182 7 0 "[ . 1 . 2]" 1
781 2 135 ALA H 2 136 LEU H 2.150 . 2.500 2.645 2.445 2.793 0.293 17 0 "[ . 1 . 2]" 1
782 2 135 ALA H 2 137 PHE H 3.160 . 4.520 4.329 3.830 4.645 0.125 17 0 "[ . 1 . 2]" 1
783 2 135 ALA H 2 138 MET H 3.340 . 4.880 4.704 4.334 4.891 0.011 10 0 "[ . 1 . 2]" 1
784 2 135 ALA MB 2 136 LEU H 2.690 . 3.580 2.685 2.580 2.926 . 0 0 "[ . 1 . 2]" 1
785 2 136 LEU H 2 137 PHE H 2.360 . 2.920 2.681 2.478 2.829 . 0 0 "[ . 1 . 2]" 1
786 2 136 LEU H 2 138 MET H 2.960 . 4.120 3.899 3.686 4.235 0.115 10 0 "[ . 1 . 2]" 1
787 2 136 LEU QD 6 11 LEU QD 3.000 . 4.200 5.576 4.289 6.815 2.615 5 16 "[* **+* ***- *** ****]" 1
788 2 137 PHE H 2 138 MET H 2.290 . 2.780 2.581 2.342 2.732 . 0 0 "[ . 1 . 2]" 1
789 2 137 PHE H 2 139 ASN H 3.140 . 4.480 4.195 3.964 4.360 . 0 0 "[ . 1 . 2]" 1
790 2 137 PHE H 2 140 TYR H 3.450 . 5.100 4.974 4.543 5.403 0.303 8 0 "[ . 1 . 2]" 1
791 2 137 PHE QD 2 138 MET H 3.410 . 5.020 4.522 3.925 4.865 . 0 0 "[ . 1 . 2]" 1
792 2 137 PHE QD 6 11 LEU QD 3.000 . 4.200 5.309 4.122 5.829 1.629 5 17 "[* * +-******* ******]" 1
793 2 137 PHE QE 6 12 PRO QD 3.000 . 4.200 6.908 4.991 8.346 4.146 9 20 [********+********-**] 1
794 2 137 PHE QE 6 15 PHE QD 3.000 . 4.200 7.540 6.264 9.004 4.804 7 20 [*****-+*************] 1
795 2 138 MET H 2 139 ASN H 2.360 . 2.920 2.592 2.454 2.748 . 0 0 "[ . 1 . 2]" 1
796 2 138 MET H 2 140 TYR H 3.090 . 4.380 3.978 3.744 4.185 . 0 0 "[ . 1 . 2]" 1
797 2 139 ASN H 2 140 TYR H 2.190 . 2.580 2.461 2.221 2.584 0.004 8 0 "[ . 1 . 2]" 1
798 2 139 ASN H 2 141 LEU H 3.080 . 4.360 4.026 3.813 4.269 . 0 0 "[ . 1 . 2]" 1
799 2 140 TYR H 2 141 LEU H 2.360 . 2.920 2.492 2.337 2.646 . 0 0 "[ . 1 . 2]" 1
800 2 140 TYR QD 2 141 LEU H 3.200 . 4.600 4.081 3.629 4.395 . 0 0 "[ . 1 . 2]" 1
801 2 140 TYR QD 2 141 LEU MD2 3.310 . 4.820 2.323 2.010 2.845 . 0 0 "[ . 1 . 2]" 1
802 3 9 MET H 3 10 THR H 3.190 . 4.580 3.884 3.646 4.313 . 0 0 "[ . 1 . 2]" 1
803 3 9 MET H 3 89 ILE H 3.370 . 4.940 4.582 2.661 5.883 0.943 14 4 "[ . * 1 +- *2]" 1
804 3 9 MET ME 3 10 THR H 2.430 . 3.060 3.843 2.269 4.970 1.910 12 14 "[***** - *1*+ *.** **]" 1
805 3 9 MET ME 3 11 PHE H 3.440 . 5.080 4.109 3.252 4.652 . 0 0 "[ . 1 . 2]" 1
806 3 9 MET ME 3 87 ALA H 2.400 . 3.000 2.904 2.207 3.777 0.777 2 3 "[ + . 1-* . 2]" 1
807 3 9 MET ME 3 89 ILE H 3.360 . 4.920 4.312 2.830 5.409 0.489 11 0 "[ . 1 . 2]" 1
808 3 9 MET ME 7 19 THR MG 3.530 . 5.250 8.365 4.579 9.873 4.623 10 19 [*********+**-*.*****] 1
809 3 10 THR H 3 11 PHE H 2.750 . 3.700 4.015 3.707 4.248 0.548 20 3 "[ . 1- *. +]" 1
810 3 10 THR H 3 87 ALA H 2.690 . 3.580 3.253 2.427 4.004 0.424 15 0 "[ . 1 . 2]" 1
811 3 10 THR H 3 89 ILE H 3.190 . 4.580 4.315 3.620 5.087 0.507 14 1 "[ . 1 +. 2]" 1
812 3 11 PHE H 3 12 GLN H 3.300 . 4.800 4.359 4.233 4.497 . 0 0 "[ . 1 . 2]" 1
813 3 11 PHE QD 3 12 GLN H 2.490 . 3.180 2.544 1.891 3.697 0.517 5 1 "[ + 1 . 2]" 1
814 3 11 PHE QD 3 101 TYR QD 3.440 . 5.080 4.165 3.043 4.799 . 0 0 "[ . 1 . 2]" 1
815 3 11 PHE QD 3 101 TYR QE 3.340 . 4.880 2.596 1.726 4.139 0.074 20 0 "[ . 1 . 2]" 1
816 3 11 PHE QE 3 12 GLN H 3.110 . 4.410 4.178 3.756 5.071 0.661 15 1 "[ . 1 + 2]" 1
817 3 11 PHE QE 3 84 PHE QD 2.950 . 4.100 2.525 1.931 3.445 . 0 0 "[ . 1 . 2]" 1
818 3 11 PHE QE 3 84 PHE QE 3.390 . 4.980 3.797 2.912 4.168 . 0 0 "[ . 1 . 2]" 1
819 3 11 PHE QE 3 101 TYR QD 3.300 . 4.800 3.358 2.153 3.952 . 0 0 "[ . 1 . 2]" 1
820 3 11 PHE QE 3 102 CYS H 3.410 . 5.020 5.166 3.716 5.999 0.979 13 11 "[** *.* ** *+*. * -2]" 1
821 3 12 GLN H 3 13 ILE H 2.880 . 3.960 4.153 4.048 4.337 0.377 16 0 "[ . 1 . 2]" 1
822 3 12 GLN H 3 85 SER H 2.650 . 3.500 3.078 2.424 3.699 0.199 18 0 "[ . 1 . 2]" 1
823 3 13 ILE H 3 14 GLN H 3.260 . 4.720 4.456 4.258 4.515 . 0 0 "[ . 1 . 2]" 1
824 3 14 GLN H 3 15 ARG H 2.090 . 2.380 2.282 2.099 2.624 0.244 13 0 "[ . 1 . 2]" 1
825 3 14 GLN H 3 83 ILE H 3.480 . 5.160 4.645 4.261 4.955 . 0 0 "[ . 1 . 2]" 1
826 3 14 GLN H 3 85 SER H 3.320 . 4.840 4.084 3.562 4.689 . 0 0 "[ . 1 . 2]" 1
827 3 15 ARG H 3 16 ILE H 3.040 . 4.280 4.015 3.848 4.208 . 0 0 "[ . 1 . 2]" 1
828 3 15 ARG H 3 83 ILE H 2.800 . 3.800 3.402 3.103 3.689 . 0 0 "[ . 1 . 2]" 1
829 3 16 ILE H 3 17 TYR H 3.270 . 4.740 4.462 4.384 4.509 . 0 0 "[ . 1 . 2]" 1
830 3 17 TYR H 3 18 THR H 3.180 . 4.560 4.292 4.208 4.368 . 0 0 "[ . 1 . 2]" 1
831 3 17 TYR H 3 81 GLY H 2.970 . 4.140 3.855 3.675 4.040 . 0 0 "[ . 1 . 2]" 1
832 3 17 TYR QD 3 18 THR H 2.980 . 4.160 3.560 3.307 3.881 . 0 0 "[ . 1 . 2]" 1
833 3 17 TYR QD 4 28 ALA MB 3.380 . 4.960 3.238 3.110 3.399 . 0 0 "[ . 1 . 2]" 1
834 3 17 TYR QD 4 32 PHE QE 2.970 . 4.140 3.296 3.155 3.534 . 0 0 "[ . 1 . 2]" 1
835 3 17 TYR QE 3 82 GLY H 3.410 . 5.020 5.005 4.158 5.329 0.309 11 0 "[ . 1 . 2]" 1
836 3 17 TYR QE 3 83 ILE H 3.140 . 4.480 3.261 2.858 3.660 . 0 0 "[ . 1 . 2]" 1
837 3 17 TYR QE 4 28 ALA MB 3.070 . 4.340 1.906 1.815 2.060 . 0 0 "[ . 1 . 2]" 1
838 3 17 TYR QE 4 32 PHE QE 3.150 . 4.500 2.865 2.764 3.017 . 0 0 "[ . 1 . 2]" 1
839 3 18 THR H 3 19 LYS H 3.290 . 4.780 4.415 4.319 4.495 . 0 0 "[ . 1 . 2]" 1
840 3 18 THR H 3 81 GLY H 3.370 . 4.940 4.802 4.686 5.003 0.063 1 0 "[ . 1 . 2]" 1
841 3 18 THR H 4 121 GLY H 3.380 . 4.960 4.248 3.980 4.476 . 0 0 "[ . 1 . 2]" 1
842 3 19 LYS H 3 20 ASP H 2.090 . 2.380 2.431 2.283 2.552 0.172 5 0 "[ . 1 . 2]" 1
843 3 19 LYS H 3 59 VAL MG1 3.230 . 4.660 4.028 3.544 4.655 . 0 0 "[ . 1 . 2]" 1
844 3 19 LYS H 3 79 GLN H 3.140 . 4.480 4.856 4.409 5.192 0.712 5 6 "[ * + * * *. -]" 1
845 3 19 LYS H 3 80 GLN H 3.490 . 5.180 5.030 4.873 5.152 . 0 0 "[ . 1 . 2]" 1
846 3 19 LYS H 3 81 GLY H 2.520 . 3.240 2.558 2.114 2.859 . 0 0 "[ . 1 . 2]" 1
847 3 20 ASP H 3 21 ILE H 3.180 . 4.560 4.268 4.209 4.321 . 0 0 "[ . 1 . 2]" 1
848 3 20 ASP H 3 59 VAL MG1 3.470 . 5.140 4.613 4.157 4.924 . 0 0 "[ . 1 . 2]" 1
849 3 20 ASP H 3 79 GLN H 2.570 . 3.340 3.218 2.928 3.410 0.070 14 0 "[ . 1 . 2]" 1
850 3 21 ILE H 3 22 SER H 3.030 . 4.260 4.297 4.268 4.378 0.118 6 0 "[ . 1 . 2]" 1
851 3 21 ILE H 3 79 GLN H 3.480 . 5.160 4.647 4.483 4.798 . 0 0 "[ . 1 . 2]" 1
852 3 21 ILE H 4 23 PHE H 2.590 . 3.380 2.782 2.535 2.995 . 0 0 "[ . 1 . 2]" 1
853 3 21 ILE H 4 23 PHE QD 3.270 . 4.740 3.234 2.906 3.586 . 0 0 "[ . 1 . 2]" 1
854 3 21 ILE H 4 24 GLU H 3.470 . 5.140 4.945 4.776 5.047 . 0 0 "[ . 1 . 2]" 1
855 3 22 SER H 3 23 PHE H 3.240 . 4.680 4.250 4.205 4.273 . 0 0 "[ . 1 . 2]" 1
856 3 22 SER H 3 77 GLU H 2.550 . 3.300 3.258 2.974 3.524 0.224 7 0 "[ . 1 . 2]" 1
857 3 22 SER H 3 78 VAL H 3.510 . 5.220 4.981 4.744 5.108 . 0 0 "[ . 1 . 2]" 1
858 3 22 SER H 3 78 VAL MG2 3.490 . 5.180 3.037 2.718 3.274 . 0 0 "[ . 1 . 2]" 1
859 3 22 SER H 4 23 PHE H 3.510 . 5.220 5.060 4.767 5.236 0.016 15 0 "[ . 1 . 2]" 1
860 3 23 PHE H 3 24 GLU H 3.040 . 4.280 4.081 3.729 4.298 0.018 9 0 "[ . 1 . 2]" 1
861 3 23 PHE H 4 21 ILE H 2.710 . 3.620 2.562 2.430 2.735 . 0 0 "[ . 1 . 2]" 1
862 3 23 PHE QD 3 24 GLU H 2.760 . 3.720 3.585 3.135 4.084 0.364 11 0 "[ . 1 . 2]" 1
863 3 23 PHE QD 4 21 ILE H 3.380 . 4.960 4.134 3.716 4.320 . 0 0 "[ . 1 . 2]" 1
864 3 23 PHE QE 3 24 GLU H 3.390 . 4.980 4.507 3.992 5.213 0.233 11 0 "[ . 1 . 2]" 1
865 3 23 PHE QE 3 25 ALA MB 2.870 . 3.940 2.644 2.393 2.956 . 0 0 "[ . 1 . 2]" 1
866 3 23 PHE QE 3 74 PHE QD 3.410 . 5.020 3.054 2.685 3.380 . 0 0 "[ . 1 . 2]" 1
867 3 23 PHE QE 3 121 GLY H 3.500 . 5.200 3.868 3.627 4.077 . 0 0 "[ . 1 . 2]" 1
868 3 24 GLU H 3 25 ALA H 3.240 . 4.680 4.127 3.857 4.362 . 0 0 "[ . 1 . 2]" 1
869 3 24 GLU H 3 75 LEU H 2.510 . 3.220 3.027 2.785 3.437 0.217 20 0 "[ . 1 . 2]" 1
870 3 24 GLU H 3 76 CYS H 3.470 . 5.140 4.839 4.578 5.074 . 0 0 "[ . 1 . 2]" 1
871 3 25 ALA MB 3 28 ALA H 3.400 . 5.000 3.256 3.002 3.444 . 0 0 "[ . 1 . 2]" 1
872 3 25 ALA MB 3 28 ALA MB 3.150 . 4.500 2.005 1.764 2.320 0.036 20 0 "[ . 1 . 2]" 1
873 3 25 ALA MB 3 123 PHE QE 3.390 . 4.980 2.345 1.824 2.686 . 0 0 "[ . 1 . 2]" 1
874 3 27 ASN H 3 28 ALA H 2.600 . 3.400 2.676 2.405 2.960 . 0 0 "[ . 1 . 2]" 1
875 3 28 ALA H 3 30 HIS H 2.960 . 4.120 4.587 4.460 4.750 0.630 5 6 "[ * + 1 * *. * -2]" 1
876 3 28 ALA H 3 31 VAL H 3.330 . 4.860 4.834 4.753 4.922 0.062 13 0 "[ . 1 . 2]" 1
877 3 28 ALA MB 3 32 PHE QE 3.280 . 4.760 2.910 2.837 2.986 . 0 0 "[ . 1 . 2]" 1
878 3 28 ALA MB 4 17 TYR QD 3.340 . 4.880 2.913 2.724 3.206 . 0 0 "[ . 1 . 2]" 1
879 3 28 ALA MB 4 17 TYR QE 3.000 . 4.200 2.027 1.766 2.469 0.034 16 0 "[ . 1 . 2]" 1
880 3 30 HIS H 3 31 VAL H 2.340 . 2.880 2.627 2.576 2.673 . 0 0 "[ . 1 . 2]" 1
881 3 30 HIS H 3 32 PHE H 2.920 . 4.040 4.190 3.951 4.431 0.391 5 0 "[ . 1 . 2]" 1
882 3 31 VAL H 3 32 PHE H 2.360 . 2.920 2.538 2.433 2.731 . 0 0 "[ . 1 . 2]" 1
883 3 31 VAL H 3 33 GLN H 3.200 . 4.600 4.347 4.219 4.581 . 0 0 "[ . 1 . 2]" 1
884 3 31 VAL MG1 3 32 PHE H 2.450 . 3.100 2.650 2.492 2.873 . 0 0 "[ . 1 . 2]" 1
885 3 31 VAL MG1 3 32 PHE QD 3.050 . 4.300 2.942 2.686 3.237 . 0 0 "[ . 1 . 2]" 1
886 3 31 VAL MG1 3 32 PHE QE 3.260 . 4.720 3.350 3.081 3.746 . 0 0 "[ . 1 . 2]" 1
887 3 31 VAL MG1 3 123 PHE QE 2.810 . 3.820 2.178 2.030 2.420 . 0 0 "[ . 1 . 2]" 1
888 3 31 VAL MG2 3 32 PHE H 3.430 . 5.060 4.097 3.939 4.288 . 0 0 "[ . 1 . 2]" 1
889 3 31 VAL MG2 3 36 TRP HE3 3.240 . 4.680 4.141 3.553 4.611 . 0 0 "[ . 1 . 2]" 1
890 3 31 VAL MG2 3 36 TRP HZ3 2.880 . 3.960 3.670 3.153 4.460 0.500 4 1 "[ +. 1 . 2]" 1
891 3 31 VAL MG2 3 68 LEU MD1 2.330 . 2.860 1.938 1.862 2.007 . 0 0 "[ . 1 . 2]" 1
892 3 31 VAL MG2 3 68 LEU MD2 3.430 . 5.060 3.755 3.543 3.965 . 0 0 "[ . 1 . 2]" 1
893 3 31 VAL MG2 3 73 ALA MB 3.100 . 4.400 2.659 2.335 2.998 . 0 0 "[ . 1 . 2]" 1
894 3 32 PHE H 3 33 GLN H 2.300 . 2.800 2.659 2.502 2.824 0.024 20 0 "[ . 1 . 2]" 1
895 3 32 PHE H 3 34 LYS H 3.140 . 4.480 4.306 4.078 4.638 0.158 19 0 "[ . 1 . 2]" 1
896 3 32 PHE QD 3 33 GLN H 3.310 . 4.820 4.683 4.592 4.778 . 0 0 "[ . 1 . 2]" 1
897 3 32 PHE QE 3 123 PHE QE 3.430 . 5.060 3.080 2.981 3.195 . 0 0 "[ . 1 . 2]" 1
898 3 32 PHE QE 4 17 TYR QD 3.180 . 4.560 3.188 3.042 3.611 . 0 0 "[ . 1 . 2]" 1
899 3 32 PHE QE 4 17 TYR QE 3.480 . 5.160 2.925 2.811 3.033 . 0 0 "[ . 1 . 2]" 1
900 3 33 GLN H 3 34 LYS H 2.380 . 2.960 2.714 2.522 3.060 0.100 19 0 "[ . 1 . 2]" 1
901 3 34 LYS H 3 35 ASP H 3.220 . 4.640 4.555 4.477 4.630 . 0 0 "[ . 1 . 2]" 1
902 3 35 ASP H 3 36 TRP H 3.290 . 4.780 4.538 4.396 4.584 . 0 0 "[ . 1 . 2]" 1
903 3 36 TRP H 3 37 GLN H 3.080 . 4.360 4.060 3.909 4.223 . 0 0 "[ . 1 . 2]" 1
904 3 36 TRP HE1 3 126 LEU QD 2.920 . 4.040 3.945 2.995 4.992 0.952 14 4 "[ . *1 * +. -]" 1
905 3 36 TRP HE3 3 37 GLN H 2.880 . 3.960 4.184 3.816 4.402 0.442 16 0 "[ . 1 . 2]" 1
906 3 36 TRP HE3 3 68 LEU MD1 3.310 . 4.820 3.319 2.875 3.945 . 0 0 "[ . 1 . 2]" 1
907 3 36 TRP HE3 3 68 LEU MD2 2.630 . 3.460 2.653 2.568 2.799 . 0 0 "[ . 1 . 2]" 1
908 3 36 TRP HZ3 3 68 LEU MD1 3.210 . 4.620 3.511 3.000 4.213 . 0 0 "[ . 1 . 2]" 1
909 3 36 TRP HZ3 3 68 LEU MD2 2.800 . 3.800 3.171 2.921 3.499 . 0 0 "[ . 1 . 2]" 1
910 3 36 TRP HZ3 3 73 ALA MB 2.530 . 3.260 1.981 1.753 2.503 0.047 16 0 "[ . 1 . 2]" 1
911 3 37 GLN H 3 68 LEU MD2 2.280 . 2.760 1.904 1.729 2.066 0.071 10 0 "[ . 1 . 2]" 1
912 3 39 GLU H 3 40 VAL H 3.060 . 4.320 4.152 3.877 4.400 0.080 15 0 "[ . 1 . 2]" 1
913 3 39 GLU H 3 66 ALA MB 3.500 . 5.200 4.943 4.126 5.563 0.363 13 0 "[ . 1 . 2]" 1
914 3 39 GLU H 3 67 SER H 2.170 . 2.540 2.954 2.154 3.652 1.112 13 8 "[ * * ** 1**+ . -]" 1
915 3 39 GLU H 3 68 LEU H 3.420 . 5.040 4.711 4.438 4.968 . 0 0 "[ . 1 . 2]" 1
916 3 39 GLU H 3 69 GLY H 3.270 . 4.740 3.778 3.140 4.181 . 0 0 "[ . 1 . 2]" 1
917 3 40 VAL H 3 41 LYS H 3.280 . 4.760 4.257 4.103 4.588 . 0 0 "[ . 1 . 2]" 1
918 3 40 VAL MG1 3 41 LYS H 3.370 . 4.940 3.789 3.322 4.372 . 0 0 "[ . 1 . 2]" 1
919 3 40 VAL MG1 3 126 LEU QD 3.330 . 4.740 2.109 1.661 2.859 0.139 15 0 "[ . 1 . 2]" 1
920 3 40 VAL MG2 3 41 LYS H 3.500 . 5.200 4.140 3.036 4.369 . 0 0 "[ . 1 . 2]" 1
921 3 41 LYS H 3 42 LEU H 3.140 . 4.480 4.188 3.963 4.462 . 0 0 "[ . 1 . 2]" 1
922 3 41 LYS H 3 64 VAL MG1 3.230 . 4.660 4.300 3.367 4.725 0.065 13 0 "[ . 1 . 2]" 1
923 3 41 LYS H 3 65 THR H 2.710 . 3.620 3.565 3.297 3.897 0.277 2 0 "[ . 1 . 2]" 1
924 3 42 LEU H 3 43 ASP H 3.290 . 4.780 4.532 4.397 4.614 . 0 0 "[ . 1 . 2]" 1
925 3 42 LEU QD 3 44 LEU QD 3.140 . 4.480 3.558 2.054 5.486 1.006 13 2 "[ . 1- + . 2]" 1
926 3 42 LEU QD 7 8 LEU QB 3.000 . 4.200 3.700 2.742 5.123 0.923 17 2 "[ . - . + 2]" 1
927 3 43 ASP H 3 44 LEU H 2.870 . 3.940 4.190 3.891 4.442 0.502 5 1 "[ + 1 . 2]" 1
928 3 43 ASP H 3 44 LEU QD 2.960 . 4.120 4.032 2.637 5.792 1.672 6 7 "[* *+ *1 ** . - 2]" 1
929 3 43 ASP H 3 63 THR H 2.890 . 3.990 3.026 2.637 3.617 . 0 0 "[ . 1 . 2]" 1
930 3 43 ASP H 3 65 THR H 3.490 . 5.180 4.610 3.949 5.210 0.030 14 0 "[ . 1 . 2]" 1
931 3 44 LEU H 3 45 ASP H 3.240 . 4.680 4.280 4.041 4.491 . 0 0 "[ . 1 . 2]" 1
932 3 44 LEU H 3 63 THR H 3.450 . 5.100 4.996 4.741 5.203 0.103 1 0 "[ . 1 . 2]" 1
933 3 44 LEU QD 3 60 LEU QD 3.330 . 4.780 2.154 1.655 3.408 0.145 13 0 "[ . 1 . 2]" 1
934 3 44 LEU QD 3 62 VAL QG 2.900 . 3.720 2.954 1.942 4.713 0.993 11 2 "[ . 1+ . - 2]" 1
935 3 44 LEU QD 3 63 THR H 3.370 . 4.940 4.250 2.795 5.526 0.586 9 1 "[ . +1 . 2]" 1
936 3 44 LEU QD 7 10 LEU QB 3.530 . 5.250 5.776 4.145 6.742 1.492 18 10 "[****.- *1 * * + *]" 1
937 3 44 LEU QD 7 12 PRO QD 3.000 . 4.200 4.140 1.992 5.437 1.237 7 9 "[*** *-+ *1 * *]" 1
938 3 45 ASP H 3 46 THR H 3.250 . 4.700 4.431 4.318 4.508 . 0 0 "[ . 1 . 2]" 1
939 3 45 ASP H 3 60 LEU QD 3.500 . 5.200 3.670 3.134 5.375 0.175 17 0 "[ . 1 . 2]" 1
940 3 45 ASP H 3 61 ARG H 2.710 . 3.620 3.403 3.027 4.084 0.464 2 0 "[ . 1 . 2]" 1
941 3 45 ASP H 3 63 THR H 3.460 . 5.120 5.012 4.186 5.516 0.396 11 0 "[ . 1 . 2]" 1
942 3 46 THR H 3 47 ALA H 3.200 . 4.600 4.293 4.179 4.454 . 0 0 "[ . 1 . 2]" 1
943 3 47 ALA H 3 48 SER H 3.130 . 4.460 4.413 4.317 4.527 0.067 6 0 "[ . 1 . 2]" 1
944 3 47 ALA H 3 59 VAL H 3.020 . 4.240 3.796 3.483 4.002 . 0 0 "[ . 1 . 2]" 1
945 3 47 ALA H 3 61 ARG H 3.260 . 4.720 4.053 3.636 4.367 . 0 0 "[ . 1 . 2]" 1
946 3 47 ALA MB 3 48 SER H 2.820 . 3.840 2.738 2.446 2.929 . 0 0 "[ . 1 . 2]" 1
947 3 48 SER H 3 49 SER H 3.190 . 4.580 4.350 4.275 4.397 . 0 0 "[ . 1 . 2]" 1
948 3 49 SER H 3 50 GLN H 3.180 . 4.560 4.195 4.008 4.402 . 0 0 "[ . 1 . 2]" 1
949 3 49 SER H 3 56 TYR QD 3.320 . 4.830 4.511 3.634 4.978 0.148 1 0 "[ . 1 . 2]" 1
950 3 49 SER H 3 56 TYR QE 3.010 . 4.220 4.790 3.529 6.997 2.777 1 7 "[+ ** - * .** 2]" 1
951 3 49 SER H 3 57 GLU H 2.650 . 3.500 3.274 3.052 3.756 0.256 3 0 "[ . 1 . 2]" 1
952 3 50 GLN H 3 51 LEU H 3.300 . 4.800 4.473 4.404 4.564 . 0 0 "[ . 1 . 2]" 1
953 3 51 LEU H 3 52 ALA H 2.070 . 2.340 2.222 2.031 2.449 0.109 10 0 "[ . 1 . 2]" 1
954 3 51 LEU H 3 55 VAL H 3.330 . 4.860 4.919 4.671 5.110 0.250 9 0 "[ . 1 . 2]" 1
955 3 51 LEU H 3 55 VAL MG1 3.430 . 5.060 3.501 3.163 4.059 . 0 0 "[ . 1 . 2]" 1
956 3 51 LEU H 3 57 GLU H 3.210 . 4.620 3.732 3.351 4.108 . 0 0 "[ . 1 . 2]" 1
957 3 51 LEU MD1 3 52 ALA H 3.470 . 5.140 4.512 4.291 4.707 . 0 0 "[ . 1 . 2]" 1
958 3 51 LEU MD1 3 55 VAL MG1 2.990 . 4.180 2.351 2.173 2.651 . 0 0 "[ . 1 . 2]" 1
959 3 51 LEU MD1 3 57 GLU H 3.330 . 4.860 3.719 3.314 4.431 . 0 0 "[ . 1 . 2]" 1
960 3 52 ALA H 3 53 ASP H 3.180 . 4.560 4.328 4.285 4.393 . 0 0 "[ . 1 . 2]" 1
961 3 52 ALA H 3 55 VAL H 2.950 . 4.100 3.542 3.364 3.705 . 0 0 "[ . 1 . 2]" 1
962 3 52 ALA H 3 55 VAL MG1 2.940 . 4.080 3.365 3.068 3.673 . 0 0 "[ . 1 . 2]" 1
963 3 52 ALA H 3 55 VAL MG2 3.090 . 4.380 4.246 3.958 4.552 0.172 4 0 "[ . 1 . 2]" 1
964 3 52 ALA MB 3 53 ASP H 2.310 . 2.820 1.915 1.793 2.338 0.007 19 0 "[ . 1 . 2]" 1
965 3 52 ALA MB 3 55 VAL MG2 2.940 . 4.080 2.562 2.080 2.885 . 0 0 "[ . 1 . 2]" 1
966 3 53 ASP H 3 54 ASP H 3.290 . 4.780 4.420 4.291 4.585 . 0 0 "[ . 1 . 2]" 1
967 3 53 ASP H 3 55 VAL H 3.400 . 5.000 4.058 3.894 4.282 . 0 0 "[ . 1 . 2]" 1
968 3 53 ASP H 3 55 VAL MG2 3.250 . 4.700 4.220 3.851 4.675 . 0 0 "[ . 1 . 2]" 1
969 3 54 ASP H 3 55 VAL H 2.340 . 2.880 2.844 2.720 2.945 0.065 8 0 "[ . 1 . 2]" 1
970 3 55 VAL H 3 56 TYR H 3.030 . 4.260 4.238 4.029 4.390 0.130 15 0 "[ . 1 . 2]" 1
971 3 55 VAL MG1 3 56 TYR H 2.910 . 4.020 3.052 2.859 3.411 . 0 0 "[ . 1 . 2]" 1
972 3 56 TYR H 3 57 GLU H 3.190 . 4.580 4.307 4.170 4.465 . 0 0 "[ . 1 . 2]" 1
973 3 56 TYR H 3 84 PHE H 2.990 . 4.180 3.538 3.181 4.216 0.036 17 0 "[ . 1 . 2]" 1
974 3 56 TYR H 3 86 ILE H 2.870 . 3.940 3.727 3.144 4.308 0.368 1 0 "[ . 1 . 2]" 1
975 3 56 TYR QD 3 57 GLU H 2.760 . 3.720 3.586 3.053 4.385 0.665 16 2 "[ - 1 .+ 2]" 1
976 3 56 TYR QD 3 58 VAL QG 3.440 . 5.080 2.946 2.029 5.265 0.185 1 0 "[ . 1 . 2]" 1
977 3 56 TYR QD 7 19 THR MG 3.000 . 4.200 6.757 4.397 9.192 4.992 10 19 [****.****+********-*] 1
978 3 56 TYR QE 3 57 GLU H 3.440 . 5.080 4.914 3.894 6.310 1.230 16 5 "[* ** - 1 .+ 2]" 1
979 3 57 GLU H 3 58 VAL H 3.230 . 4.660 4.362 4.215 4.499 . 0 0 "[ . 1 . 2]" 1
980 3 58 VAL H 3 59 VAL H 3.250 . 4.700 4.292 4.159 4.429 . 0 0 "[ . 1 . 2]" 1
981 3 58 VAL H 3 59 VAL MG2 3.380 . 4.960 4.215 3.917 4.468 . 0 0 "[ . 1 . 2]" 1
982 3 58 VAL H 3 82 GLY H 2.660 . 3.520 3.395 2.928 3.738 0.218 17 0 "[ . 1 . 2]" 1
983 3 58 VAL H 3 84 PHE H 2.970 . 4.140 4.061 3.700 4.557 0.417 3 0 "[ . 1 . 2]" 1
984 3 58 VAL H 3 84 PHE QD 3.440 . 5.080 3.136 2.712 3.529 . 0 0 "[ . 1 . 2]" 1
985 3 58 VAL QG 3 59 VAL H 2.490 . 3.180 3.106 2.816 3.648 0.468 17 0 "[ . 1 . 2]" 1
986 3 58 VAL QG 3 60 LEU H 3.410 . 5.020 4.187 3.740 5.053 0.033 17 0 "[ . 1 . 2]" 1
987 3 59 VAL H 3 60 LEU H 3.040 . 4.280 4.339 4.203 4.428 0.148 12 0 "[ . 1 . 2]" 1
988 3 59 VAL MG1 3 60 LEU H 2.830 . 3.860 2.652 2.493 2.821 . 0 0 "[ . 1 . 2]" 1
989 3 59 VAL MG1 3 80 GLN H 3.080 . 4.360 3.446 3.278 3.736 . 0 0 "[ . 1 . 2]" 1
990 3 59 VAL MG1 3 81 GLY H 3.110 . 4.410 3.586 3.138 4.306 . 0 0 "[ . 1 . 2]" 1
991 3 59 VAL MG2 3 82 GLY H 2.940 . 4.080 3.239 2.943 3.672 . 0 0 "[ . 1 . 2]" 1
992 3 60 LEU H 3 61 ARG H 3.150 . 4.500 4.152 3.964 4.262 . 0 0 "[ . 1 . 2]" 1
993 3 60 LEU H 3 80 GLN H 2.950 . 4.100 3.472 3.187 3.699 . 0 0 "[ . 1 . 2]" 1
994 3 60 LEU QD 3 61 ARG H 2.830 . 3.860 3.013 2.479 4.356 0.496 17 0 "[ . 1 . 2]" 1
995 3 60 LEU QD 3 62 VAL QG 3.140 . 4.480 2.703 2.237 3.543 . 0 0 "[ . 1 . 2]" 1
996 3 60 LEU QD 7 12 PRO QD 3.000 . 4.200 5.757 4.009 7.566 3.366 9 16 "[********+1-** * * **]" 1
997 3 61 ARG H 3 62 VAL H 3.170 . 4.540 4.336 4.222 4.509 . 0 0 "[ . 1 . 2]" 1
998 3 62 VAL H 3 63 THR H 3.170 . 4.540 4.343 4.094 4.474 . 0 0 "[ . 1 . 2]" 1
999 3 62 VAL H 3 78 VAL H 2.730 . 3.660 3.319 2.895 3.643 . 0 0 "[ . 1 . 2]" 1
1000 3 62 VAL H 3 80 GLN H 3.070 . 4.340 3.917 3.474 4.235 . 0 0 "[ . 1 . 2]" 1
1001 3 62 VAL H 3 110 ALA MB 3.510 . 5.220 3.874 3.461 4.248 . 0 0 "[ . 1 . 2]" 1
1002 3 62 VAL QG 3 63 THR H 2.830 . 3.860 2.686 2.408 2.965 . 0 0 "[ . 1 . 2]" 1
1003 3 62 VAL QG 3 64 VAL MG2 3.130 . 4.460 2.637 2.345 3.057 . 0 0 "[ . 1 . 2]" 1
1004 3 62 VAL QG 3 110 ALA MB 2.930 . 4.060 2.096 1.852 2.302 . 0 0 "[ . 1 . 2]" 1
1005 3 62 VAL QG 3 128 LEU QD 3.450 . 5.100 2.706 2.041 3.906 . 0 0 "[ . 1 . 2]" 1
1006 3 63 THR H 3 64 VAL H 3.200 . 4.600 4.166 3.997 4.392 . 0 0 "[ . 1 . 2]" 1
1007 3 64 VAL H 3 65 THR H 3.140 . 4.480 4.176 3.893 4.419 . 0 0 "[ . 1 . 2]" 1
1008 3 64 VAL H 3 76 CYS H 2.840 . 3.880 3.226 2.804 3.705 . 0 0 "[ . 1 . 2]" 1
1009 3 64 VAL MG1 3 65 THR H 2.860 . 3.920 3.093 2.570 3.262 . 0 0 "[ . 1 . 2]" 1
1010 3 64 VAL MG1 3 126 LEU QD 3.010 . 4.220 2.216 1.875 3.382 . 0 0 "[ . 1 . 2]" 1
1011 3 64 VAL MG2 3 65 THR H 3.510 . 5.220 4.201 3.871 4.320 . 0 0 "[ . 1 . 2]" 1
1012 3 64 VAL MG2 3 128 LEU QD 2.940 . 4.080 2.835 2.014 4.177 0.097 17 0 "[ . 1 . 2]" 1
1013 3 65 THR H 3 66 ALA H 3.240 . 4.680 4.413 4.161 4.487 . 0 0 "[ . 1 . 2]" 1
1014 3 66 ALA H 3 67 SER H 2.990 . 4.180 4.111 3.859 4.402 0.222 8 0 "[ . 1 . 2]" 1
1015 3 66 ALA H 3 73 ALA H 3.310 . 4.820 4.536 4.371 4.755 . 0 0 "[ . 1 . 2]" 1
1016 3 66 ALA H 3 73 ALA MB 3.490 . 5.180 4.206 4.051 4.515 . 0 0 "[ . 1 . 2]" 1
1017 3 66 ALA H 3 74 PHE H 2.710 . 3.620 3.249 3.051 3.452 . 0 0 "[ . 1 . 2]" 1
1018 3 66 ALA H 3 75 LEU MD2 3.420 . 5.040 3.807 3.587 3.993 . 0 0 "[ . 1 . 2]" 1
1019 3 66 ALA MB 3 67 SER H 3.070 . 4.340 3.382 3.233 3.510 . 0 0 "[ . 1 . 2]" 1
1020 3 66 ALA MB 3 73 ALA H 3.360 . 4.920 3.658 3.512 3.907 . 0 0 "[ . 1 . 2]" 1
1021 3 66 ALA MB 3 73 ALA MB 2.750 . 3.700 2.131 1.920 2.570 . 0 0 "[ . 1 . 2]" 1
1022 3 66 ALA MB 3 74 PHE H 3.020 . 4.240 2.413 2.266 2.644 . 0 0 "[ . 1 . 2]" 1
1023 3 66 ALA MB 3 74 PHE QD 3.470 . 5.140 3.048 2.978 3.153 . 0 0 "[ . 1 . 2]" 1
1024 3 66 ALA MB 3 74 PHE QE 3.040 . 4.280 2.894 2.788 3.058 . 0 0 "[ . 1 . 2]" 1
1025 3 67 SER H 3 68 LEU H 3.230 . 4.660 4.266 4.213 4.408 . 0 0 "[ . 1 . 2]" 1
1026 3 67 SER H 3 69 GLY H 3.450 . 5.100 4.724 4.603 4.906 . 0 0 "[ . 1 . 2]" 1
1027 3 67 SER H 3 73 ALA H 3.320 . 4.840 4.373 4.206 4.543 . 0 0 "[ . 1 . 2]" 1
1028 3 68 LEU H 3 69 GLY H 2.490 . 3.180 3.248 2.740 3.546 0.366 18 0 "[ . 1 . 2]" 1
1029 3 68 LEU H 3 70 GLU H 3.360 . 4.920 5.405 4.640 5.682 0.762 2 14 "[*+ ** ****- *** **]" 1
1030 3 68 LEU H 3 71 GLU H 3.040 . 4.280 4.256 3.469 4.539 0.259 8 0 "[ . 1 . 2]" 1
1031 3 68 LEU H 3 72 THR H 3.450 . 5.100 4.918 4.657 5.056 . 0 0 "[ . 1 . 2]" 1
1032 3 68 LEU H 3 73 ALA H 2.540 . 3.280 3.309 2.955 3.998 0.718 7 1 "[ . + 1 . 2]" 1
1033 3 68 LEU H 3 73 ALA MB 3.450 . 5.100 3.546 3.353 4.157 . 0 0 "[ . 1 . 2]" 1
1034 3 68 LEU MD1 3 73 ALA H 3.240 . 4.680 4.114 3.774 4.551 . 0 0 "[ . 1 . 2]" 1
1035 3 68 LEU MD1 3 73 ALA MB 3.170 . 4.540 2.605 2.173 2.965 . 0 0 "[ . 1 . 2]" 1
1036 3 68 LEU MD2 3 73 ALA MB 3.240 . 4.680 2.801 2.290 3.193 . 0 0 "[ . 1 . 2]" 1
1037 3 69 GLY H 3 70 GLU H 2.890 . 3.980 4.227 3.866 4.403 0.423 6 0 "[ . 1 . 2]" 1
1038 3 69 GLY H 3 71 GLU H 3.280 . 4.760 4.544 3.826 4.824 0.064 14 0 "[ . 1 . 2]" 1
1039 3 70 GLU H 3 71 GLU H 1.920 . 2.040 2.178 1.796 2.297 0.257 20 0 "[ . 1 . 2]" 1
1040 3 71 GLU H 3 72 THR H 3.190 . 4.580 4.389 4.080 4.529 . 0 0 "[ . 1 . 2]" 1
1041 3 72 THR H 3 73 ALA H 3.270 . 4.740 4.453 4.396 4.517 . 0 0 "[ . 1 . 2]" 1
1042 3 73 ALA H 3 74 PHE H 2.450 . 3.100 2.617 2.487 2.815 . 0 0 "[ . 1 . 2]" 1
1043 3 73 ALA MB 3 74 PHE H 2.420 . 3.040 2.228 2.047 2.353 . 0 0 "[ . 1 . 2]" 1
1044 3 73 ALA MB 3 74 PHE QD 3.190 . 4.580 2.788 2.596 3.070 . 0 0 "[ . 1 . 2]" 1
1045 3 73 ALA MB 3 74 PHE QE 3.440 . 5.080 3.749 3.545 3.974 . 0 0 "[ . 1 . 2]" 1
1046 3 74 PHE H 3 75 LEU H 3.150 . 4.500 4.332 4.303 4.367 . 0 0 "[ . 1 . 2]" 1
1047 3 74 PHE QD 3 75 LEU H 3.170 . 4.540 3.161 2.867 3.447 . 0 0 "[ . 1 . 2]" 1
1048 3 74 PHE QD 3 123 PHE QD 3.510 . 5.220 3.067 2.860 3.165 . 0 0 "[ . 1 . 2]" 1
1049 3 74 PHE QD 3 123 PHE QE 3.240 . 4.680 3.300 3.135 3.466 . 0 0 "[ . 1 . 2]" 1
1050 3 74 PHE QE 3 118 VAL MG1 2.960 . 4.120 2.706 2.472 2.882 . 0 0 "[ . 1 . 2]" 1
1051 3 74 PHE QE 3 118 VAL MG2 3.050 . 4.300 2.759 2.382 2.920 . 0 0 "[ . 1 . 2]" 1
1052 3 74 PHE QE 3 123 PHE QD 3.490 . 5.180 3.645 3.419 3.936 . 0 0 "[ . 1 . 2]" 1
1053 3 75 LEU H 3 76 CYS H 3.040 . 4.280 4.174 3.805 4.350 0.070 8 0 "[ . 1 . 2]" 1
1054 3 75 LEU MD1 3 76 CYS H 2.990 . 4.180 2.514 2.171 3.276 . 0 0 "[ . 1 . 2]" 1
1055 3 75 LEU MD2 3 76 CYS H 2.930 . 4.060 2.663 2.178 3.282 . 0 0 "[ . 1 . 2]" 1
1056 3 76 CYS H 3 77 GLU H 3.270 . 4.740 4.281 3.964 4.530 . 0 0 "[ . 1 . 2]" 1
1057 3 77 GLU H 3 78 VAL H 3.000 . 4.200 4.161 4.010 4.396 0.196 13 0 "[ . 1 . 2]" 1
1058 3 77 GLU H 3 78 VAL MG2 3.180 . 4.560 3.638 3.245 4.198 . 0 0 "[ . 1 . 2]" 1
1059 3 78 VAL H 3 79 GLN H 3.160 . 4.520 4.156 3.929 4.363 . 0 0 "[ . 1 . 2]" 1
1060 3 78 VAL MG1 3 79 GLN H 2.730 . 3.660 2.878 2.506 3.240 . 0 0 "[ . 1 . 2]" 1
1061 3 78 VAL MG1 3 80 GLN H 3.140 . 4.480 3.137 2.857 3.488 . 0 0 "[ . 1 . 2]" 1
1062 3 78 VAL MG1 3 110 ALA MB 3.400 . 5.000 2.747 2.111 3.259 . 0 0 "[ . 1 . 2]" 1
1063 3 78 VAL MG2 3 79 GLN H 3.470 . 5.140 4.123 3.940 4.222 . 0 0 "[ . 1 . 2]" 1
1064 3 78 VAL MG2 3 114 ILE H 3.190 . 4.580 3.076 2.873 3.205 . 0 0 "[ . 1 . 2]" 1
1065 3 79 GLN H 3 80 GLN H 3.010 . 4.220 4.067 3.909 4.206 . 0 0 "[ . 1 . 2]" 1
1066 3 80 GLN H 3 81 GLY H 3.210 . 4.620 4.348 4.199 4.474 . 0 0 "[ . 1 . 2]" 1
1067 3 80 GLN H 3 110 ALA MB 3.040 . 4.280 3.484 3.296 3.700 . 0 0 "[ . 1 . 2]" 1
1068 3 81 GLY H 3 82 GLY H 3.260 . 4.720 4.531 4.461 4.568 . 0 0 "[ . 1 . 2]" 1
1069 3 82 GLY H 3 83 ILE H 3.080 . 4.360 4.026 3.933 4.149 . 0 0 "[ . 1 . 2]" 1
1070 3 83 ILE H 3 84 PHE H 3.200 . 4.600 4.437 4.371 4.501 . 0 0 "[ . 1 . 2]" 1
1071 3 84 PHE H 3 85 SER H 3.280 . 4.760 4.286 4.159 4.389 . 0 0 "[ . 1 . 2]" 1
1072 3 84 PHE QD 3 85 SER H 3.240 . 4.680 4.153 3.971 4.418 . 0 0 "[ . 1 . 2]" 1
1073 3 85 SER H 3 86 ILE H 3.120 . 4.440 4.362 4.171 4.554 0.114 17 0 "[ . 1 . 2]" 1
1074 3 86 ILE H 3 87 ALA H 3.130 . 4.460 4.232 3.969 4.433 . 0 0 "[ . 1 . 2]" 1
1075 3 86 ILE MD 7 19 THR HG1 3.000 . 4.200 7.467 4.967 9.275 5.075 13 20 [************+***-***] 1
1076 3 86 ILE MD 7 19 THR MG 3.000 . 4.200 7.143 4.930 8.465 4.265 6 20 [*****+***********-**] 1
1077 3 87 ALA H 3 88 GLY H 3.070 . 4.340 4.376 4.261 4.468 0.128 12 0 "[ . 1 . 2]" 1
1078 3 87 ALA H 3 89 ILE H 3.160 . 4.520 4.409 3.984 4.956 0.436 16 0 "[ . 1 . 2]" 1
1079 3 87 ALA MB 3 88 GLY H 2.850 . 3.900 2.479 2.244 2.927 . 0 0 "[ . 1 . 2]" 1
1080 3 87 ALA MB 7 19 THR HG1 3.530 . 5.250 6.992 4.518 9.063 3.813 1 17 "[+** ** * *-*********]" 1
1081 3 88 GLY H 3 89 ILE H 2.540 . 3.280 3.236 2.537 3.577 0.297 6 0 "[ . 1 . 2]" 1
1082 3 88 GLY H 3 94 MET ME 3.510 . 5.220 6.023 4.000 9.209 3.989 6 9 "[* .+ ** - ****]" 1
1083 3 89 ILE H 3 90 GLU H 3.260 . 4.720 4.555 4.473 4.634 . 0 0 "[ . 1 . 2]" 1
1084 3 89 ILE H 3 94 MET ME 3.520 . 5.240 5.384 3.424 7.700 2.460 6 7 "[* .+ ** . * -*]" 1
1085 3 90 GLU H 3 91 GLY H 3.160 . 4.520 4.375 4.328 4.418 . 0 0 "[ . 1 . 2]" 1
1086 3 90 GLU H 3 94 MET H 3.090 . 4.380 3.805 3.484 4.012 . 0 0 "[ . 1 . 2]" 1
1087 3 91 GLY H 3 92 THR H 3.310 . 4.820 4.569 4.421 4.646 . 0 0 "[ . 1 . 2]" 1
1088 3 91 GLY H 3 94 MET H 3.030 . 4.260 4.047 3.630 4.603 0.343 19 0 "[ . 1 . 2]" 1
1089 3 91 GLY H 3 94 MET ME 3.280 . 4.760 3.319 2.340 5.867 1.107 3 1 "[ + . 1 . 2]" 1
1090 3 91 GLY H 3 95 ALA H 3.270 . 4.740 4.914 4.551 5.569 0.829 17 4 "[ . 1 * - + *2]" 1
1091 3 92 THR H 3 93 GLN H 2.320 . 2.840 2.630 2.452 2.831 . 0 0 "[ . 1 . 2]" 1
1092 3 92 THR H 3 94 MET H 3.190 . 4.580 4.462 4.066 4.844 0.264 11 0 "[ . 1 . 2]" 1
1093 3 92 THR H 3 95 ALA H 3.450 . 5.100 4.710 4.436 4.875 . 0 0 "[ . 1 . 2]" 1
1094 3 93 GLN H 3 94 MET H 2.370 . 2.940 2.712 2.451 2.905 . 0 0 "[ . 1 . 2]" 1
1095 3 93 GLN H 3 95 ALA H 3.200 . 4.600 3.874 3.646 4.031 . 0 0 "[ . 1 . 2]" 1
1096 3 93 GLN H 3 96 HIS H 3.420 . 5.040 4.719 4.408 5.169 0.129 5 0 "[ . 1 . 2]" 1
1097 3 94 MET H 3 95 ALA H 2.210 . 2.620 2.554 2.419 2.731 0.111 12 0 "[ . 1 . 2]" 1
1098 3 94 MET H 3 96 HIS H 2.910 . 4.020 4.125 3.914 4.388 0.368 7 0 "[ . 1 . 2]" 1
1099 3 94 MET H 3 97 CYS H 3.390 . 4.980 4.754 4.587 5.025 0.045 9 0 "[ . 1 . 2]" 1
1100 3 94 MET ME 7 19 THR HG1 3.260 . 4.720 3.665 2.138 6.893 2.173 6 4 "[ * -+ * . 2]" 1
1101 3 94 MET ME 7 22 ARG QB 3.530 . 5.250 6.985 5.412 8.447 3.197 16 18 [*********1*****+**-2] 1
1102 3 95 ALA H 3 96 HIS H 2.360 . 2.920 2.639 2.522 2.738 . 0 0 "[ . 1 . 2]" 1
1103 3 95 ALA H 3 97 CYS H 3.200 . 4.600 4.029 3.747 4.277 . 0 0 "[ . 1 . 2]" 1
1104 3 95 ALA H 3 98 LEU H 3.470 . 5.140 4.892 4.635 5.234 0.094 4 0 "[ . 1 . 2]" 1
1105 3 95 ALA H 3 98 LEU QD 3.240 . 4.680 4.210 3.778 4.670 . 0 0 "[ . 1 . 2]" 1
1106 3 95 ALA MB 3 96 HIS H 2.700 . 3.600 2.640 2.496 2.860 . 0 0 "[ . 1 . 2]" 1
1107 3 95 ALA MB 3 98 LEU QD 3.520 . 5.240 3.561 2.992 4.249 . 0 0 "[ . 1 . 2]" 1
1108 3 96 HIS H 3 97 CYS H 2.260 . 2.720 2.607 2.428 2.769 0.049 9 0 "[ . 1 . 2]" 1
1109 3 96 HIS H 3 98 LEU H 3.060 . 4.320 4.402 3.933 4.789 0.469 16 0 "[ . 1 . 2]" 1
1110 3 96 HIS H 3 99 GLY H 3.250 . 4.700 4.694 4.434 4.995 0.295 15 0 "[ . 1 . 2]" 1
1111 3 97 CYS H 3 98 LEU H 2.330 . 2.860 2.773 2.618 2.935 0.075 14 0 "[ . 1 . 2]" 1
1112 3 97 CYS H 3 99 GLY H 2.900 . 4.000 3.973 3.643 4.333 0.333 1 0 "[ . 1 . 2]" 1
1113 3 97 CYS H 3 101 TYR H 3.460 . 5.120 5.017 4.845 5.225 0.105 19 0 "[ . 1 . 2]" 1
1114 3 98 LEU H 3 99 GLY H 2.180 . 2.560 2.558 2.356 2.707 0.147 9 0 "[ . 1 . 2]" 1
1115 3 98 LEU H 3 100 ALA H 3.020 . 4.240 4.306 3.990 4.558 0.318 10 0 "[ . 1 . 2]" 1
1116 3 98 LEU H 3 101 TYR H 3.380 . 4.960 4.934 4.619 5.127 0.167 10 0 "[ . 1 . 2]" 1
1117 3 98 LEU H 3 102 CYS H 3.360 . 4.920 4.915 4.786 5.039 0.119 14 0 "[ . 1 . 2]" 1
1118 3 98 LEU QD 3 99 GLY H 2.770 . 3.740 3.188 2.036 4.272 0.532 6 2 "[ .+ 1 - . 2]" 1
1119 3 98 LEU QD 7 19 THR HG1 3.000 . 4.200 6.313 5.082 7.762 3.562 10 20 [********-+**********] 1
1120 3 98 LEU QD 7 22 ARG QB 3.000 . 4.200 6.537 4.511 8.613 4.413 6 19 "[*****+******* ***-**]" 1
1121 3 99 GLY H 3 100 ALA H 2.200 . 2.600 2.547 2.255 2.797 0.197 1 0 "[ . 1 . 2]" 1
1122 3 99 GLY H 3 100 ALA MB 3.430 . 5.060 4.151 3.863 4.512 . 0 0 "[ . 1 . 2]" 1
1123 3 99 GLY H 3 101 TYR H 3.080 . 4.360 4.076 3.839 4.321 . 0 0 "[ . 1 . 2]" 1
1124 3 99 GLY H 3 102 CYS H 3.280 . 4.760 4.711 4.377 5.022 0.262 1 0 "[ . 1 . 2]" 1
1125 3 100 ALA H 3 101 TYR H 2.120 . 2.440 2.128 1.767 2.377 0.033 4 0 "[ . 1 . 2]" 1
1126 3 100 ALA H 3 102 CYS H 2.460 . 3.120 3.218 2.944 3.514 0.394 5 0 "[ . 1 . 2]" 1
1127 3 100 ALA MB 3 101 TYR H 2.450 . 3.100 2.345 2.157 2.704 . 0 0 "[ . 1 . 2]" 1
1128 3 100 ALA MB 3 134 ASP H 2.820 . 3.840 2.844 2.066 3.376 . 0 0 "[ . 1 . 2]" 1
1129 3 101 TYR H 3 102 CYS H 2.330 . 2.860 2.663 2.557 2.904 0.044 11 0 "[ . 1 . 2]" 1
1130 3 101 TYR QD 3 102 CYS H 3.120 . 4.440 3.477 3.204 3.965 . 0 0 "[ . 1 . 2]" 1
1131 3 109 TYR H 3 110 ALA H 2.280 . 2.760 2.660 2.518 2.744 . 0 0 "[ . 1 . 2]" 1
1132 3 109 TYR H 3 111 ARG H 3.010 . 4.220 3.860 3.645 4.075 . 0 0 "[ . 1 . 2]" 1
1133 3 109 TYR QD 3 110 ALA H 3.400 . 5.000 4.009 3.742 4.358 . 0 0 "[ . 1 . 2]" 1
1134 3 110 ALA H 3 111 ARG H 2.170 . 2.540 2.602 2.494 2.685 0.145 19 0 "[ . 1 . 2]" 1
1135 3 110 ALA H 3 112 GLU H 3.220 . 4.640 4.411 4.285 4.604 . 0 0 "[ . 1 . 2]" 1
1136 3 110 ALA H 3 113 CYS H 3.500 . 5.200 4.811 4.735 4.928 . 0 0 "[ . 1 . 2]" 1
1137 3 110 ALA MB 3 111 ARG H 2.700 . 3.600 2.595 2.439 2.815 . 0 0 "[ . 1 . 2]" 1
1138 3 111 ARG H 3 112 GLU H 2.420 . 3.040 2.861 2.752 2.991 . 0 0 "[ . 1 . 2]" 1
1139 3 111 ARG H 3 113 CYS H 3.050 . 4.300 4.048 3.919 4.187 . 0 0 "[ . 1 . 2]" 1
1140 3 111 ARG H 3 114 ILE H 3.430 . 5.060 4.778 4.657 4.878 . 0 0 "[ . 1 . 2]" 1
1141 3 112 GLU H 3 113 CYS H 2.350 . 2.900 2.576 2.530 2.605 . 0 0 "[ . 1 . 2]" 1
1142 3 112 GLU H 3 114 ILE H 3.220 . 4.640 4.154 4.064 4.229 . 0 0 "[ . 1 . 2]" 1
1143 3 112 GLU H 3 115 THR H 3.480 . 5.160 4.800 4.650 4.879 . 0 0 "[ . 1 . 2]" 1
1144 3 113 CYS H 3 114 ILE H 2.310 . 2.820 2.604 2.511 2.709 . 0 0 "[ . 1 . 2]" 1
1145 3 113 CYS H 3 115 THR H 3.080 . 4.360 4.221 4.013 4.339 . 0 0 "[ . 1 . 2]" 1
1146 3 113 CYS H 3 116 SER H 3.430 . 5.060 4.697 4.603 4.759 . 0 0 "[ . 1 . 2]" 1
1147 3 114 ILE H 3 115 THR H 2.340 . 2.880 2.624 2.554 2.701 . 0 0 "[ . 1 . 2]" 1
1148 3 114 ILE H 3 116 SER H 3.160 . 4.520 3.943 3.863 4.041 . 0 0 "[ . 1 . 2]" 1
1149 3 114 ILE H 3 117 MET H 3.510 . 5.220 4.732 4.642 4.848 . 0 0 "[ . 1 . 2]" 1
1150 3 115 THR H 3 116 SER H 2.340 . 2.880 2.657 2.613 2.719 . 0 0 "[ . 1 . 2]" 1
1151 3 115 THR H 3 117 MET H 3.230 . 4.660 4.251 4.068 4.348 . 0 0 "[ . 1 . 2]" 1
1152 3 115 THR H 3 118 VAL H 3.450 . 5.100 4.681 4.575 4.753 . 0 0 "[ . 1 . 2]" 1
1153 3 116 SER H 3 117 MET H 2.400 . 3.000 2.668 2.570 2.813 . 0 0 "[ . 1 . 2]" 1
1154 3 116 SER H 3 118 VAL H 3.030 . 4.260 4.024 3.934 4.137 . 0 0 "[ . 1 . 2]" 1
1155 3 116 SER H 3 119 SER H 3.350 . 4.900 4.693 4.534 4.880 . 0 0 "[ . 1 . 2]" 1
1156 3 117 MET H 3 118 VAL H 2.360 . 2.920 2.748 2.650 2.789 . 0 0 "[ . 1 . 2]" 1
1157 3 117 MET H 3 119 SER H 3.100 . 4.400 4.178 3.944 4.387 . 0 0 "[ . 1 . 2]" 1
1158 3 118 VAL H 3 119 SER H 2.210 . 2.620 2.614 2.524 2.721 0.101 1 0 "[ . 1 . 2]" 1
1159 3 118 VAL MG1 3 119 SER H 3.180 . 4.560 3.459 3.339 3.585 . 0 0 "[ . 1 . 2]" 1
1160 3 118 VAL MG1 3 123 PHE H 3.230 . 4.660 3.198 3.057 3.437 . 0 0 "[ . 1 . 2]" 1
1161 3 118 VAL MG1 3 123 PHE QD 2.980 . 4.160 3.366 3.153 3.569 . 0 0 "[ . 1 . 2]" 1
1162 3 118 VAL MG2 3 119 SER H 3.350 . 4.900 3.792 3.691 3.921 . 0 0 "[ . 1 . 2]" 1
1163 3 119 SER H 3 121 GLY H 3.080 . 4.360 4.101 3.908 4.237 . 0 0 "[ . 1 . 2]" 1
1164 3 121 GLY H 3 122 THR H 2.370 . 2.940 2.576 2.505 2.659 . 0 0 "[ . 1 . 2]" 1
1165 3 121 GLY H 3 123 PHE H 2.730 . 3.660 4.062 3.856 4.317 0.657 4 7 "[ +.** 1 ** -* 2]" 1
1166 3 121 GLY H 4 18 THR H 3.130 . 4.460 4.120 3.923 4.355 . 0 0 "[ . 1 . 2]" 1
1167 3 122 THR H 3 123 PHE H 2.380 . 2.960 2.768 2.644 2.972 0.012 4 0 "[ . 1 . 2]" 1
1168 3 122 THR H 4 18 THR H 3.240 . 4.680 4.615 4.263 4.849 0.169 19 0 "[ . 1 . 2]" 1
1169 3 125 GLN H 3 126 LEU H 3.290 . 4.780 4.445 4.352 4.586 . 0 0 "[ . 1 . 2]" 1
1170 3 126 LEU H 3 127 ASN H 2.740 . 3.680 3.813 3.541 4.039 0.359 19 0 "[ . 1 . 2]" 1
1171 3 126 LEU QD 3 127 ASN H 3.090 . 4.380 3.204 2.776 3.595 . 0 0 "[ . 1 . 2]" 1
1172 3 126 LEU QD 3 128 LEU H 3.410 . 5.020 4.660 3.759 5.385 0.365 10 0 "[ . 1 . 2]" 1
1173 3 126 LEU QD 7 6 ILE MG 3.530 . 5.250 4.141 2.827 6.181 0.931 16 3 "[ . 1* .+- 2]" 1
1174 3 127 ASN H 3 128 LEU H 3.200 . 4.600 4.373 4.218 4.509 . 0 0 "[ . 1 . 2]" 1
1175 3 128 LEU H 3 129 ALA H 3.320 . 4.830 4.595 4.513 4.657 . 0 0 "[ . 1 . 2]" 1
1176 3 128 LEU QD 3 129 ALA H 2.300 . 2.800 2.604 1.691 4.324 1.524 8 6 "[ *-* + 1* *. 2]" 1
1177 3 128 LEU QD 3 129 ALA MB 3.230 . 4.660 3.647 2.699 5.242 0.582 8 1 "[ . + 1 . 2]" 1
1178 3 128 LEU QD 3 131 VAL QG 3.140 . 4.480 3.260 2.115 5.217 0.737 8 1 "[ . + 1 . 2]" 1
1179 3 128 LEU QD 7 8 LEU QB 3.530 . 5.250 3.921 2.108 5.347 0.097 11 0 "[ . 1 . 2]" 1
1180 3 131 VAL QG 3 133 PHE H 3.310 . 4.820 3.410 2.783 3.988 . 0 0 "[ . 1 . 2]" 1
1181 3 131 VAL QG 3 136 LEU QD 2.570 . 3.340 2.794 1.790 4.428 1.088 9 2 "[ . +1 -. 2]" 1
1182 3 133 PHE H 3 134 ASP H 2.330 . 2.860 2.738 2.499 2.940 0.080 4 0 "[ . 1 . 2]" 1
1183 3 133 PHE H 3 135 ALA H 3.170 . 4.540 4.353 4.097 4.763 0.223 4 0 "[ . 1 . 2]" 1
1184 3 133 PHE H 3 136 LEU H 3.360 . 4.920 4.887 4.610 5.300 0.380 6 0 "[ . 1 . 2]" 1
1185 3 133 PHE QD 3 134 ASP H 3.410 . 5.020 4.095 3.763 4.395 . 0 0 "[ . 1 . 2]" 1
1186 3 133 PHE QE 7 12 PRO QD 3.000 . 4.200 5.847 4.534 7.177 2.977 6 19 "[*****+***** ****-***]" 1
1187 3 134 ASP H 3 135 ALA H 2.290 . 2.780 2.720 2.503 2.955 0.175 7 0 "[ . 1 . 2]" 1
1188 3 134 ASP H 3 136 LEU H 2.980 . 4.160 4.043 3.815 4.344 0.184 5 0 "[ . 1 . 2]" 1
1189 3 135 ALA H 3 136 LEU H 2.220 . 2.640 2.569 2.314 2.734 0.094 7 0 "[ . 1 . 2]" 1
1190 3 135 ALA H 3 137 PHE H 3.330 . 4.860 4.261 3.894 4.751 . 0 0 "[ . 1 . 2]" 1
1191 3 135 ALA H 3 138 MET H 3.440 . 5.080 4.921 4.535 5.902 0.822 14 1 "[ . 1 +. 2]" 1
1192 3 135 ALA MB 3 136 LEU H 2.680 . 3.570 2.750 2.465 2.985 . 0 0 "[ . 1 . 2]" 1
1193 3 136 LEU H 3 137 PHE H 2.460 . 3.120 2.694 2.423 3.089 . 0 0 "[ . 1 . 2]" 1
1194 3 136 LEU H 3 138 MET H 2.960 . 4.120 4.063 3.651 4.937 0.817 14 1 "[ . 1 +. 2]" 1
1195 3 136 LEU QD 3 140 TYR QE 3.020 . 4.240 6.003 2.034 9.040 4.800 12 13 "[***-.* * 1*+*** * *2]" 1
1196 3 136 LEU QD 7 11 LEU QD 3.000 . 4.200 5.583 4.200 6.662 2.462 5 17 "[* * +**********-* **]" 1
1197 3 137 PHE H 3 138 MET H 2.320 . 2.840 2.603 2.437 3.000 0.160 14 0 "[ . 1 . 2]" 1
1198 3 137 PHE H 3 139 ASN H 3.360 . 4.920 4.102 3.727 4.604 . 0 0 "[ . 1 . 2]" 1
1199 3 137 PHE H 3 140 TYR H 3.460 . 5.120 4.899 4.452 5.543 0.423 3 0 "[ . 1 . 2]" 1
1200 3 137 PHE QD 3 138 MET H 3.410 . 5.020 4.485 4.055 4.741 . 0 0 "[ . 1 . 2]" 1
1201 3 137 PHE QD 7 11 LEU QD 3.000 . 4.200 5.528 4.173 5.916 1.716 6 19 "[*****+****-**** ****]" 1
1202 3 137 PHE QE 7 12 PRO QD 3.000 . 4.200 6.480 4.696 8.434 4.234 16 19 "[*-****** ******+****]" 1
1203 3 137 PHE QE 7 15 PHE QD 3.000 . 4.200 7.738 6.178 9.077 4.877 10 20 [*********+*******-**] 1
1204 3 138 MET H 3 139 ASN H 2.450 . 3.100 2.519 2.387 2.618 . 0 0 "[ . 1 . 2]" 1
1205 3 138 MET H 3 140 TYR H 3.060 . 4.320 4.064 3.743 4.571 0.251 1 0 "[ . 1 . 2]" 1
1206 3 139 ASN H 3 140 TYR H 2.240 . 2.680 2.643 2.471 2.915 0.235 1 0 "[ . 1 . 2]" 1
1207 3 139 ASN H 3 140 TYR QD 3.430 . 5.060 5.866 4.062 6.489 1.429 12 15 "[ ***.* * **+***** *-]" 1
1208 3 140 TYR H 3 141 LEU H 3.160 . 4.520 3.615 3.092 4.531 0.011 1 0 "[ . 1 . 2]" 1
1209 3 140 TYR QD 3 141 LEU H 2.980 . 4.160 2.815 2.002 4.210 0.050 9 0 "[ . 1 . 2]" 1
1210 4 9 MET H 4 10 THR H 3.280 . 4.760 4.536 4.440 4.642 . 0 0 "[ . 1 . 2]" 1
1211 4 9 MET ME 8 19 THR MG 3.530 . 5.250 9.830 5.873 11.134 5.884 13 20 [***-********+*******] 1
1212 4 10 THR H 4 11 PHE H 3.270 . 4.740 4.440 4.327 4.490 . 0 0 "[ . 1 . 2]" 1
1213 4 10 THR H 4 87 ALA H 2.360 . 2.920 3.093 2.399 3.732 0.812 11 3 "[ . - 1+ . * 2]" 1
1214 4 11 PHE H 4 12 GLN H 3.030 . 4.260 3.663 3.294 4.052 . 0 0 "[ . 1 . 2]" 1
1215 4 11 PHE QD 4 12 GLN H 2.810 . 3.820 4.019 3.238 4.335 0.515 4 1 "[ +. 1 . 2]" 1
1216 4 11 PHE QD 4 101 TYR QD 3.440 . 5.080 3.831 3.095 4.200 . 0 0 "[ . 1 . 2]" 1
1217 4 11 PHE QD 4 101 TYR QE 3.460 . 5.120 2.979 2.552 3.679 . 0 0 "[ . 1 . 2]" 1
1218 4 11 PHE QE 4 12 GLN H 3.460 . 5.120 5.227 4.610 5.660 0.540 1 3 "[+ *. 1 . -]" 1
1219 4 11 PHE QE 4 84 PHE QD 2.920 . 4.040 3.195 2.376 3.638 . 0 0 "[ . 1 . 2]" 1
1220 4 11 PHE QE 4 101 TYR QD 3.180 . 4.560 3.216 2.450 3.672 . 0 0 "[ . 1 . 2]" 1
1221 4 11 PHE QE 4 102 CYS H 3.200 . 4.600 4.631 3.850 5.112 0.512 7 1 "[ . + 1 . 2]" 1
1222 4 12 GLN H 4 13 ILE H 3.130 . 4.460 4.266 4.162 4.433 . 0 0 "[ . 1 . 2]" 1
1223 4 12 GLN H 4 85 SER H 2.500 . 3.200 3.101 2.504 3.499 0.299 19 0 "[ . 1 . 2]" 1
1224 4 13 ILE H 4 14 GLN H 3.330 . 4.860 4.489 4.416 4.609 . 0 0 "[ . 1 . 2]" 1
1225 4 14 GLN H 4 15 ARG H 2.060 . 2.320 2.342 2.175 2.568 0.248 4 0 "[ . 1 . 2]" 1
1226 4 14 GLN H 4 83 ILE H 2.940 . 4.080 4.731 4.470 4.979 0.899 11 17 "[******* **+** *** -*]" 1
1227 4 14 GLN H 4 84 PHE H 3.490 . 5.180 4.712 4.518 4.906 . 0 0 "[ . 1 . 2]" 1
1228 4 14 GLN H 4 84 PHE QD 3.480 . 5.160 3.776 3.128 4.695 . 0 0 "[ . 1 . 2]" 1
1229 4 14 GLN H 4 85 SER H 3.410 . 5.020 3.961 3.541 4.407 . 0 0 "[ . 1 . 2]" 1
1230 4 15 ARG H 4 16 ILE H 3.030 . 4.260 4.117 3.919 4.227 . 0 0 "[ . 1 . 2]" 1
1231 4 15 ARG H 4 83 ILE H 2.370 . 2.940 3.387 3.212 3.691 0.751 11 5 "[ * * 1+- * 2]" 1
1232 4 16 ILE H 4 17 TYR H 3.280 . 4.760 4.426 4.374 4.511 . 0 0 "[ . 1 . 2]" 1
1233 4 17 TYR H 4 18 THR H 3.190 . 4.580 4.292 4.194 4.369 . 0 0 "[ . 1 . 2]" 1
1234 4 17 TYR H 4 81 GLY H 2.880 . 3.960 3.806 3.572 4.045 0.085 4 0 "[ . 1 . 2]" 1
1235 4 17 TYR QD 4 18 THR H 2.920 . 4.040 3.687 3.107 4.280 0.240 19 0 "[ . 1 . 2]" 1
1236 4 18 THR H 4 19 LYS H 3.260 . 4.720 4.348 4.261 4.421 . 0 0 "[ . 1 . 2]" 1
1237 4 19 LYS H 4 20 ASP H 2.000 . 2.200 2.185 1.974 2.356 0.156 7 0 "[ . 1 . 2]" 1
1238 4 19 LYS H 4 79 GLN H 3.040 . 4.280 4.789 4.536 5.194 0.914 2 10 "[ +* .*** -*** . *2]" 1
1239 4 19 LYS H 4 81 GLY H 2.890 . 3.990 3.126 2.803 3.615 . 0 0 "[ . 1 . 2]" 1
1240 4 20 ASP H 4 21 ILE H 3.170 . 4.540 4.167 4.051 4.320 . 0 0 "[ . 1 . 2]" 1
1241 4 20 ASP H 4 79 GLN H 2.430 . 3.060 3.466 3.199 3.681 0.621 2 5 "[ + .** 1 *- . 2]" 1
1242 4 21 ILE H 4 22 SER H 3.020 . 4.240 4.320 4.254 4.389 0.149 4 0 "[ . 1 . 2]" 1
1243 4 21 ILE H 4 79 GLN H 3.440 . 5.080 4.729 4.517 4.994 . 0 0 "[ . 1 . 2]" 1
1244 4 22 SER H 4 23 PHE H 3.220 . 4.640 4.135 3.652 4.247 . 0 0 "[ . 1 . 2]" 1
1245 4 22 SER H 4 77 GLU H 2.720 . 3.640 3.128 2.944 3.350 . 0 0 "[ . 1 . 2]" 1
1246 4 22 SER H 4 78 VAL H 3.440 . 5.080 4.981 4.853 5.074 . 0 0 "[ . 1 . 2]" 1
1247 4 22 SER H 4 78 VAL MG2 3.110 . 4.420 3.245 2.786 3.935 . 0 0 "[ . 1 . 2]" 1
1248 4 23 PHE H 4 24 GLU H 3.030 . 4.260 4.106 3.917 4.435 0.175 19 0 "[ . 1 . 2]" 1
1249 4 23 PHE QD 4 24 GLU H 2.810 . 3.820 3.606 3.299 3.936 0.116 10 0 "[ . 1 . 2]" 1
1250 4 23 PHE QE 4 24 GLU H 3.460 . 5.120 4.577 4.242 4.968 . 0 0 "[ . 1 . 2]" 1
1251 4 23 PHE QE 4 25 ALA MB 3.250 . 4.700 2.871 2.619 3.141 . 0 0 "[ . 1 . 2]" 1
1252 4 23 PHE QE 4 121 GLY H 3.400 . 5.000 4.040 3.822 4.187 . 0 0 "[ . 1 . 2]" 1
1253 4 24 GLU H 4 25 ALA H 3.230 . 4.660 4.135 3.954 4.356 . 0 0 "[ . 1 . 2]" 1
1254 4 24 GLU H 4 75 LEU H 2.660 . 3.520 2.709 2.332 3.145 . 0 0 "[ . 1 . 2]" 1
1255 4 25 ALA MB 4 28 ALA H 3.350 . 4.900 3.291 3.087 3.533 . 0 0 "[ . 1 . 2]" 1
1256 4 25 ALA MB 4 28 ALA MB 2.970 . 4.140 1.994 1.700 2.152 0.100 10 0 "[ . 1 . 2]" 1
1257 4 27 ASN H 4 28 ALA H 2.570 . 3.340 2.502 2.330 2.739 . 0 0 "[ . 1 . 2]" 1
1258 4 28 ALA H 4 30 HIS H 2.860 . 3.920 4.649 4.342 4.899 0.979 5 19 "[*- *+***************]" 1
1259 4 28 ALA H 4 31 VAL H 3.240 . 4.680 4.784 4.642 4.942 0.262 4 0 "[ . 1 . 2]" 1
1260 4 28 ALA MB 4 30 HIS H 3.480 . 5.160 4.390 4.248 4.543 . 0 0 "[ . 1 . 2]" 1
1261 4 28 ALA MB 4 32 PHE QE 3.190 . 4.580 3.271 2.918 3.441 . 0 0 "[ . 1 . 2]" 1
1262 4 30 HIS H 4 31 VAL H 2.160 . 2.520 2.394 2.252 2.562 0.042 13 0 "[ . 1 . 2]" 1
1263 4 30 HIS H 4 31 VAL MG1 3.490 . 5.180 3.796 3.612 4.010 . 0 0 "[ . 1 . 2]" 1
1264 4 30 HIS H 4 32 PHE H 2.810 . 3.820 3.891 3.722 4.049 0.229 13 0 "[ . 1 . 2]" 1
1265 4 31 VAL H 4 32 PHE H 2.270 . 2.740 2.432 2.383 2.553 . 0 0 "[ . 1 . 2]" 1
1266 4 31 VAL H 4 33 GLN H 3.200 . 4.600 4.234 4.143 4.379 . 0 0 "[ . 1 . 2]" 1
1267 4 31 VAL MG1 4 32 PHE H 2.490 . 3.180 2.642 2.512 2.814 . 0 0 "[ . 1 . 2]" 1
1268 4 31 VAL MG1 4 32 PHE QD 3.260 . 4.720 3.098 2.932 3.317 . 0 0 "[ . 1 . 2]" 1
1269 4 31 VAL MG1 4 68 LEU MD1 3.500 . 5.200 2.846 2.477 3.253 . 0 0 "[ . 1 . 2]" 1
1270 4 31 VAL MG1 4 123 PHE QE 2.670 . 3.540 2.100 1.907 2.388 . 0 0 "[ . 1 . 2]" 1
1271 4 31 VAL MG2 4 32 PHE H 3.440 . 5.080 4.187 4.103 4.271 . 0 0 "[ . 1 . 2]" 1
1272 4 31 VAL MG2 4 34 LYS H 3.360 . 4.920 4.152 4.048 4.316 . 0 0 "[ . 1 . 2]" 1
1273 4 31 VAL MG2 4 68 LEU H 3.280 . 4.760 3.149 2.959 3.574 . 0 0 "[ . 1 . 2]" 1
1274 4 31 VAL MG2 4 68 LEU MD1 2.300 . 2.800 1.843 1.607 2.080 0.193 16 0 "[ . 1 . 2]" 1
1275 4 31 VAL MG2 4 73 ALA MB 3.070 . 4.340 2.890 2.712 3.090 . 0 0 "[ . 1 . 2]" 1
1276 4 31 VAL MG2 4 123 PHE QE 3.490 . 5.180 3.110 2.716 3.385 . 0 0 "[ . 1 . 2]" 1
1277 4 32 PHE H 4 33 GLN H 2.360 . 2.920 2.648 2.580 2.763 . 0 0 "[ . 1 . 2]" 1
1278 4 32 PHE H 4 34 LYS H 3.120 . 4.440 4.215 4.073 4.348 . 0 0 "[ . 1 . 2]" 1
1279 4 32 PHE QD 4 33 GLN H 3.360 . 4.920 4.688 4.590 4.783 . 0 0 "[ . 1 . 2]" 1
1280 4 33 GLN H 4 34 LYS H 2.280 . 2.760 2.619 2.578 2.667 . 0 0 "[ . 1 . 2]" 1
1281 4 34 LYS H 4 35 ASP H 3.170 . 4.540 3.999 3.720 4.309 . 0 0 "[ . 1 . 2]" 1
1282 4 35 ASP H 4 36 TRP H 2.880 . 3.960 3.903 3.765 4.061 0.101 15 0 "[ . 1 . 2]" 1
1283 4 35 ASP H 4 36 TRP HE3 2.460 . 3.120 3.469 2.970 3.919 0.799 18 7 "[*- . ** ** + 2]" 1
1284 4 35 ASP H 4 36 TRP HZ3 2.750 . 3.700 3.964 3.429 4.546 0.846 18 5 "[ * . ** -. + 2]" 1
1285 4 36 TRP H 4 37 GLN H 3.170 . 4.540 4.352 4.315 4.386 . 0 0 "[ . 1 . 2]" 1
1286 4 36 TRP H 4 68 LEU MD2 2.730 . 3.660 2.581 2.305 2.800 . 0 0 "[ . 1 . 2]" 1
1287 4 36 TRP HE1 4 68 LEU MD2 2.430 . 3.060 2.619 2.430 2.879 . 0 0 "[ . 1 . 2]" 1
1288 4 36 TRP HE1 4 69 GLY H 2.170 . 2.540 2.557 1.960 3.390 0.850 7 1 "[ . + 1 . 2]" 1
1289 4 39 GLU H 4 40 VAL H 3.300 . 4.800 4.458 4.376 4.571 . 0 0 "[ . 1 . 2]" 1
1290 4 39 GLU H 4 66 ALA MB 3.250 . 4.700 4.595 3.890 5.044 0.344 8 0 "[ . 1 . 2]" 1
1291 4 39 GLU H 4 67 SER H 2.100 . 2.400 3.084 2.413 3.470 1.070 8 16 "[** .**+****-** ****]" 1
1292 4 40 VAL H 4 41 LYS H 3.200 . 4.600 4.347 4.166 4.499 . 0 0 "[ . 1 . 2]" 1
1293 4 40 VAL MG1 4 41 LYS H 3.410 . 5.020 3.242 2.407 4.089 . 0 0 "[ . 1 . 2]" 1
1294 4 40 VAL MG1 4 126 LEU QD 3.230 . 4.660 2.245 1.748 3.524 0.052 11 0 "[ . 1 . 2]" 1
1295 4 40 VAL MG2 4 41 LYS H 3.430 . 5.060 4.100 3.908 4.316 . 0 0 "[ . 1 . 2]" 1
1296 4 41 LYS H 4 42 LEU H 3.130 . 4.460 4.375 4.183 4.536 0.076 13 0 "[ . 1 . 2]" 1
1297 4 41 LYS H 4 64 VAL QG 3.050 . 4.300 3.852 3.245 4.441 0.141 8 0 "[ . 1 . 2]" 1
1298 4 41 LYS H 4 65 THR H 2.690 . 3.580 3.156 2.672 3.588 0.008 8 0 "[ . 1 . 2]" 1
1299 4 42 LEU H 4 43 ASP H 3.280 . 4.760 4.399 4.034 4.542 . 0 0 "[ . 1 . 2]" 1
1300 4 42 LEU QD 4 43 ASP H 3.270 . 4.740 3.305 1.874 4.423 . 0 0 "[ . 1 . 2]" 1
1301 4 42 LEU QD 4 44 LEU H 3.310 . 4.820 4.952 3.514 6.620 1.800 14 7 "[ *.* ** +.- *]" 1
1302 4 42 LEU QD 4 44 LEU QD 2.880 . 3.960 2.723 2.001 4.138 0.178 14 0 "[ . 1 . 2]" 1
1303 4 42 LEU QD 8 8 LEU QB 3.000 . 4.200 4.001 2.703 5.945 1.745 4 4 "[ +.* 1 . - *]" 1
1304 4 43 ASP H 4 44 LEU H 3.020 . 4.240 4.290 4.032 4.507 0.267 5 0 "[ . 1 . 2]" 1
1305 4 43 ASP H 4 44 LEU QD 3.070 . 4.340 3.672 3.041 4.492 0.152 5 0 "[ . 1 . 2]" 1
1306 4 43 ASP H 4 63 THR H 2.800 . 3.800 3.049 2.629 3.359 . 0 0 "[ . 1 . 2]" 1
1307 4 44 LEU H 4 45 ASP H 3.290 . 4.780 4.417 4.337 4.487 . 0 0 "[ . 1 . 2]" 1
1308 4 44 LEU QD 4 45 ASP H 2.820 . 3.840 3.711 3.200 4.343 0.503 2 1 "[ + . 1 . 2]" 1
1309 4 44 LEU QD 4 60 LEU QD 2.870 . 3.940 2.651 1.751 4.111 0.171 20 0 "[ . 1 . 2]" 1
1310 4 44 LEU QD 4 133 PHE QE 3.380 . 4.960 4.039 2.191 6.176 1.216 7 3 "[ - + 1 . * 2]" 1
1311 4 44 LEU QD 8 10 LEU QB 3.530 . 5.250 5.250 3.749 6.385 1.135 7 3 "[ . + 1 - . * 2]" 1
1312 4 44 LEU QD 8 12 PRO QD 3.000 . 4.200 4.201 2.303 5.851 1.651 18 5 "[ .* -*1 . + *]" 1
1313 4 45 ASP H 4 46 THR H 3.160 . 4.520 4.362 4.220 4.442 . 0 0 "[ . 1 . 2]" 1
1314 4 45 ASP H 4 60 LEU QD 3.180 . 4.560 3.760 2.923 4.910 0.350 8 0 "[ . 1 . 2]" 1
1315 4 45 ASP H 4 61 ARG H 2.790 . 3.780 3.242 2.888 3.637 . 0 0 "[ . 1 . 2]" 1
1316 4 46 THR H 4 47 ALA H 3.260 . 4.720 4.485 4.386 4.547 . 0 0 "[ . 1 . 2]" 1
1317 4 46 THR H 4 61 ARG H 3.490 . 5.180 4.972 4.582 5.187 0.007 1 0 "[ . 1 . 2]" 1
1318 4 47 ALA H 4 48 SER H 3.090 . 4.380 4.320 4.170 4.376 . 0 0 "[ . 1 . 2]" 1
1319 4 47 ALA H 4 59 VAL H 2.960 . 4.120 3.610 3.145 3.961 . 0 0 "[ . 1 . 2]" 1
1320 4 47 ALA H 4 60 LEU QD 3.410 . 5.020 3.860 2.809 5.090 0.070 14 0 "[ . 1 . 2]" 1
1321 4 47 ALA MB 4 48 SER H 2.750 . 3.700 2.609 2.312 2.914 . 0 0 "[ . 1 . 2]" 1
1322 4 47 ALA MB 4 59 VAL MG1 3.330 . 4.860 2.747 2.459 3.176 . 0 0 "[ . 1 . 2]" 1
1323 4 48 SER H 4 49 SER H 3.190 . 4.580 4.333 4.262 4.393 . 0 0 "[ . 1 . 2]" 1
1324 4 48 SER H 4 59 VAL H 3.520 . 5.240 4.757 4.505 4.988 . 0 0 "[ . 1 . 2]" 1
1325 4 49 SER H 4 50 GLN H 2.920 . 4.040 4.170 3.936 4.337 0.297 1 0 "[ . 1 . 2]" 1
1326 4 49 SER H 4 57 GLU H 2.740 . 3.680 3.292 2.853 3.607 . 0 0 "[ . 1 . 2]" 1
1327 4 50 GLN H 4 51 LEU H 3.340 . 4.880 4.470 4.368 4.580 . 0 0 "[ . 1 . 2]" 1
1328 4 50 GLN H 4 56 TYR QE 3.310 . 4.820 4.994 3.076 8.717 3.897 5 6 "[ *+ - 1 * * *2]" 1
1329 4 50 GLN H 4 57 GLU H 3.400 . 5.000 4.981 4.433 5.205 0.205 3 0 "[ . 1 . 2]" 1
1330 4 51 LEU H 4 52 ALA H 1.900 . 2.000 2.165 2.058 2.230 0.230 15 0 "[ . 1 . 2]" 1
1331 4 51 LEU H 4 55 VAL H 3.420 . 5.040 4.879 4.611 5.127 0.087 9 0 "[ . 1 . 2]" 1
1332 4 51 LEU H 4 55 VAL MG1 3.350 . 4.900 3.476 3.021 4.083 . 0 0 "[ . 1 . 2]" 1
1333 4 51 LEU H 4 57 GLU H 3.180 . 4.560 3.733 3.396 4.115 . 0 0 "[ . 1 . 2]" 1
1334 4 51 LEU MD1 4 55 VAL MG1 2.930 . 4.060 2.619 2.188 3.125 . 0 0 "[ . 1 . 2]" 1
1335 4 51 LEU MD1 4 57 GLU H 3.490 . 5.180 3.807 3.245 4.698 . 0 0 "[ . 1 . 2]" 1
1336 4 52 ALA H 4 53 ASP H 3.170 . 4.540 4.331 4.307 4.371 . 0 0 "[ . 1 . 2]" 1
1337 4 52 ALA H 4 55 VAL H 3.010 . 4.220 3.611 3.451 3.867 . 0 0 "[ . 1 . 2]" 1
1338 4 52 ALA H 4 55 VAL MG1 3.130 . 4.460 3.413 3.014 3.834 . 0 0 "[ . 1 . 2]" 1
1339 4 52 ALA H 4 55 VAL MG2 3.500 . 5.200 4.259 3.860 4.639 . 0 0 "[ . 1 . 2]" 1
1340 4 52 ALA MB 4 53 ASP H 2.310 . 2.820 1.967 1.828 2.449 . 0 0 "[ . 1 . 2]" 1
1341 4 52 ALA MB 4 55 VAL MG2 3.290 . 4.780 2.538 2.265 2.879 . 0 0 "[ . 1 . 2]" 1
1342 4 53 ASP H 4 54 ASP H 3.280 . 4.760 4.481 4.340 4.615 . 0 0 "[ . 1 . 2]" 1
1343 4 53 ASP H 4 55 VAL H 3.470 . 5.140 4.175 3.995 4.357 . 0 0 "[ . 1 . 2]" 1
1344 4 54 ASP H 4 55 VAL H 2.290 . 2.780 2.743 2.527 2.836 0.056 15 0 "[ . 1 . 2]" 1
1345 4 55 VAL H 4 56 TYR H 2.880 . 3.960 4.266 4.145 4.357 0.397 1 0 "[ . 1 . 2]" 1
1346 4 55 VAL MG1 4 56 TYR H 3.040 . 4.280 2.799 2.694 2.979 . 0 0 "[ . 1 . 2]" 1
1347 4 56 TYR H 4 57 GLU H 3.220 . 4.640 4.265 4.169 4.430 . 0 0 "[ . 1 . 2]" 1
1348 4 56 TYR H 4 84 PHE H 2.980 . 4.160 3.369 3.014 3.727 . 0 0 "[ . 1 . 2]" 1
1349 4 56 TYR H 4 86 ILE H 3.190 . 4.580 3.817 2.946 5.328 0.748 5 1 "[ + 1 . 2]" 1
1350 4 56 TYR QD 4 57 GLU H 3.000 . 4.200 3.744 2.893 4.310 0.110 18 0 "[ . 1 . 2]" 1
1351 4 56 TYR QD 4 98 LEU QD 3.340 . 4.880 3.069 1.909 4.228 . 0 0 "[ . 1 . 2]" 1
1352 4 56 TYR QD 8 19 THR MG 3.000 . 4.200 7.241 4.403 9.177 4.977 20 18 "[****** **-***** ***+]" 1
1353 4 57 GLU H 4 58 VAL H 3.230 . 4.660 4.400 4.138 4.554 . 0 0 "[ . 1 . 2]" 1
1354 4 57 GLU H 4 84 PHE H 3.470 . 5.140 4.789 4.484 4.986 . 0 0 "[ . 1 . 2]" 1
1355 4 58 VAL H 4 59 VAL H 3.280 . 4.760 4.337 4.207 4.460 . 0 0 "[ . 1 . 2]" 1
1356 4 58 VAL H 4 82 GLY H 2.630 . 3.460 3.176 2.895 3.622 0.162 7 0 "[ . 1 . 2]" 1
1357 4 58 VAL H 4 84 PHE H 2.950 . 4.100 4.343 3.905 4.634 0.534 14 1 "[ . 1 +. 2]" 1
1358 4 58 VAL H 4 84 PHE QD 3.330 . 4.860 3.081 2.242 3.725 . 0 0 "[ . 1 . 2]" 1
1359 4 58 VAL H 4 84 PHE QE 3.410 . 5.020 3.345 2.899 3.739 . 0 0 "[ . 1 . 2]" 1
1360 4 58 VAL QG 4 59 VAL H 2.440 . 3.080 2.982 2.678 3.540 0.460 9 0 "[ . 1 . 2]" 1
1361 4 58 VAL QG 4 60 LEU H 3.250 . 4.700 4.269 3.920 4.723 0.023 14 0 "[ . 1 . 2]" 1
1362 4 58 VAL QG 4 60 LEU QD 3.400 . 5.000 3.143 1.863 5.164 0.164 14 0 "[ . 1 . 2]" 1
1363 4 58 VAL QG 4 98 LEU QD 2.730 . 3.660 2.338 1.750 3.915 0.255 4 0 "[ . 1 . 2]" 1
1364 4 59 VAL H 4 60 LEU H 2.980 . 4.160 4.346 4.142 4.451 0.291 13 0 "[ . 1 . 2]" 1
1365 4 59 VAL MG1 4 60 LEU H 2.940 . 4.080 2.721 2.592 3.083 . 0 0 "[ . 1 . 2]" 1
1366 4 59 VAL MG1 4 80 GLN H 3.480 . 5.160 3.689 3.238 4.036 . 0 0 "[ . 1 . 2]" 1
1367 4 59 VAL MG1 4 81 GLY H 3.370 . 4.940 3.482 3.246 3.681 . 0 0 "[ . 1 . 2]" 1
1368 4 59 VAL MG2 4 82 GLY H 3.200 . 4.600 3.442 3.172 3.734 . 0 0 "[ . 1 . 2]" 1
1369 4 60 LEU H 4 61 ARG H 3.230 . 4.660 4.214 4.065 4.337 . 0 0 "[ . 1 . 2]" 1
1370 4 60 LEU H 4 80 GLN H 3.110 . 4.420 3.712 3.275 4.115 . 0 0 "[ . 1 . 2]" 1
1371 4 60 LEU QD 4 61 ARG H 3.160 . 4.520 3.070 2.308 4.120 . 0 0 "[ . 1 . 2]" 1
1372 4 60 LEU QD 4 62 VAL MG2 3.330 . 4.860 3.256 2.296 4.275 . 0 0 "[ . 1 . 2]" 1
1373 4 60 LEU QD 4 133 PHE QE 2.980 . 4.160 4.042 2.728 6.298 2.138 7 5 "[ .*+ 1 * * -2]" 1
1374 4 60 LEU QD 8 12 PRO QD 3.000 . 4.200 5.181 3.583 6.648 2.448 18 13 "[ * * -**** **.* +**]" 1
1375 4 61 ARG H 4 62 VAL H 3.170 . 4.540 4.196 4.080 4.332 . 0 0 "[ . 1 . 2]" 1
1376 4 62 VAL H 4 63 THR H 3.090 . 4.380 4.428 4.348 4.486 0.106 12 0 "[ . 1 . 2]" 1
1377 4 62 VAL H 4 78 VAL H 2.870 . 3.940 3.433 3.254 3.724 . 0 0 "[ . 1 . 2]" 1
1378 4 62 VAL H 4 80 GLN H 2.720 . 3.640 3.622 3.364 3.905 0.265 6 0 "[ . 1 . 2]" 1
1379 4 62 VAL MG1 4 63 THR H 2.990 . 4.180 2.783 2.569 3.016 . 0 0 "[ . 1 . 2]" 1
1380 4 62 VAL MG1 4 64 VAL QG 3.030 . 4.260 2.584 2.316 2.830 . 0 0 "[ . 1 . 2]" 1
1381 4 62 VAL MG1 4 128 LEU QD 3.490 . 5.180 2.848 2.438 3.575 . 0 0 "[ . 1 . 2]" 1
1382 4 62 VAL MG2 4 80 GLN H 3.240 . 4.680 4.027 3.644 4.559 . 0 0 "[ . 1 . 2]" 1
1383 4 62 VAL MG2 4 110 ALA MB 3.110 . 4.420 2.043 1.659 2.357 0.141 7 0 "[ . 1 . 2]" 1
1384 4 63 THR H 4 64 VAL H 3.240 . 4.680 4.337 4.221 4.454 . 0 0 "[ . 1 . 2]" 1
1385 4 63 THR H 4 78 VAL H 3.480 . 5.160 5.060 4.888 5.182 0.022 12 0 "[ . 1 . 2]" 1
1386 4 64 VAL H 4 65 THR H 3.030 . 4.260 3.901 3.743 4.001 . 0 0 "[ . 1 . 2]" 1
1387 4 64 VAL H 4 76 CYS H 2.780 . 3.760 3.361 2.927 3.734 . 0 0 "[ . 1 . 2]" 1
1388 4 64 VAL H 4 77 GLU H 3.290 . 4.780 4.798 4.646 5.002 0.222 11 0 "[ . 1 . 2]" 1
1389 4 64 VAL H 4 78 VAL H 3.370 . 4.940 5.179 4.845 5.528 0.588 9 3 "[ . -+1* . 2]" 1
1390 4 64 VAL QG 4 65 THR H 3.000 . 4.200 3.346 3.299 3.402 . 0 0 "[ . 1 . 2]" 1
1391 4 64 VAL QG 4 128 LEU QD 3.200 . 4.600 3.018 1.965 4.123 . 0 0 "[ . 1 . 2]" 1
1392 4 65 THR H 4 66 ALA H 3.240 . 4.680 4.144 4.037 4.371 . 0 0 "[ . 1 . 2]" 1
1393 4 65 THR H 4 76 CYS H 3.380 . 4.960 4.972 4.718 5.116 0.156 9 0 "[ . 1 . 2]" 1
1394 4 66 ALA H 4 67 SER H 3.260 . 4.720 4.530 4.439 4.598 . 0 0 "[ . 1 . 2]" 1
1395 4 66 ALA H 4 73 ALA H 3.460 . 5.120 4.683 4.481 4.837 . 0 0 "[ . 1 . 2]" 1
1396 4 66 ALA H 4 73 ALA MB 3.520 . 5.240 4.363 4.214 4.509 . 0 0 "[ . 1 . 2]" 1
1397 4 66 ALA H 4 74 PHE H 2.630 . 3.460 3.538 3.376 3.683 0.223 18 0 "[ . 1 . 2]" 1
1398 4 66 ALA H 4 74 PHE QD 3.300 . 4.800 4.349 4.076 4.676 . 0 0 "[ . 1 . 2]" 1
1399 4 66 ALA H 4 74 PHE QE 3.440 . 5.080 4.822 4.482 5.210 0.130 1 0 "[ . 1 . 2]" 1
1400 4 66 ALA H 4 75 LEU MD2 3.190 . 4.580 2.926 2.676 3.369 . 0 0 "[ . 1 . 2]" 1
1401 4 66 ALA H 4 76 CYS H 3.160 . 4.520 4.156 3.833 4.465 . 0 0 "[ . 1 . 2]" 1
1402 4 66 ALA MB 4 67 SER H 2.540 . 3.280 2.817 2.550 3.026 . 0 0 "[ . 1 . 2]" 1
1403 4 66 ALA MB 4 73 ALA H 3.490 . 5.180 3.809 3.483 4.018 . 0 0 "[ . 1 . 2]" 1
1404 4 66 ALA MB 4 73 ALA MB 2.720 . 3.640 2.374 2.153 2.602 . 0 0 "[ . 1 . 2]" 1
1405 4 66 ALA MB 4 74 PHE H 2.870 . 3.940 2.397 2.045 2.778 . 0 0 "[ . 1 . 2]" 1
1406 4 66 ALA MB 4 74 PHE QD 2.970 . 4.140 3.028 2.950 3.161 . 0 0 "[ . 1 . 2]" 1
1407 4 66 ALA MB 4 74 PHE QE 2.550 . 3.300 2.808 2.764 2.877 . 0 0 "[ . 1 . 2]" 1
1408 4 67 SER H 4 68 LEU H 3.050 . 4.300 4.194 4.108 4.290 . 0 0 "[ . 1 . 2]" 1
1409 4 67 SER H 4 73 ALA H 3.150 . 4.500 4.044 3.820 4.165 . 0 0 "[ . 1 . 2]" 1
1410 4 67 SER H 4 73 ALA MB 2.830 . 3.860 3.366 3.157 3.824 . 0 0 "[ . 1 . 2]" 1
1411 4 67 SER H 4 74 PHE H 3.500 . 5.200 4.772 4.618 5.032 . 0 0 "[ . 1 . 2]" 1
1412 4 68 LEU H 4 69 GLY H 3.200 . 4.600 4.249 4.084 4.451 . 0 0 "[ . 1 . 2]" 1
1413 4 68 LEU H 4 71 GLU H 2.850 . 3.900 4.258 4.019 4.475 0.575 5 5 "[ - + * * . *2]" 1
1414 4 68 LEU H 4 73 ALA H 2.530 . 3.260 3.072 2.805 3.184 . 0 0 "[ . 1 . 2]" 1
1415 4 68 LEU H 4 73 ALA MB 2.750 . 3.700 2.281 2.109 2.550 . 0 0 "[ . 1 . 2]" 1
1416 4 68 LEU MD1 4 73 ALA MB 2.570 . 3.340 2.331 1.958 2.675 . 0 0 "[ . 1 . 2]" 1
1417 4 68 LEU MD2 4 69 GLY H 3.460 . 5.120 3.762 3.499 3.973 . 0 0 "[ . 1 . 2]" 1
1418 4 69 GLY H 4 70 GLU H 3.230 . 4.660 4.481 4.348 4.612 . 0 0 "[ . 1 . 2]" 1
1419 4 69 GLY H 4 71 GLU H 3.430 . 5.060 4.678 4.486 4.833 . 0 0 "[ . 1 . 2]" 1
1420 4 70 GLU H 4 71 GLU H 2.390 . 2.980 2.397 2.028 2.717 . 0 0 "[ . 1 . 2]" 1
1421 4 71 GLU H 4 72 THR H 3.200 . 4.600 4.448 4.387 4.497 . 0 0 "[ . 1 . 2]" 1
1422 4 72 THR H 4 73 ALA H 3.240 . 4.680 4.548 4.472 4.624 . 0 0 "[ . 1 . 2]" 1
1423 4 73 ALA H 4 74 PHE H 2.330 . 2.860 2.544 2.360 2.750 . 0 0 "[ . 1 . 2]" 1
1424 4 73 ALA MB 4 74 PHE H 2.450 . 3.100 2.012 1.904 2.104 . 0 0 "[ . 1 . 2]" 1
1425 4 73 ALA MB 4 74 PHE QD 3.250 . 4.700 2.483 2.401 2.592 . 0 0 "[ . 1 . 2]" 1
1426 4 74 PHE H 4 75 LEU H 3.070 . 4.340 4.313 4.232 4.376 0.036 14 0 "[ . 1 . 2]" 1
1427 4 74 PHE H 4 75 LEU MD2 3.060 . 4.320 4.111 3.884 4.295 . 0 0 "[ . 1 . 2]" 1
1428 4 74 PHE QD 4 75 LEU H 3.270 . 4.740 3.674 3.188 4.059 . 0 0 "[ . 1 . 2]" 1
1429 4 74 PHE QD 4 123 PHE QD 3.140 . 4.480 3.082 2.879 3.198 . 0 0 "[ . 1 . 2]" 1
1430 4 74 PHE QD 4 123 PHE QE 3.140 . 4.480 3.347 3.240 3.484 . 0 0 "[ . 1 . 2]" 1
1431 4 74 PHE QE 4 118 VAL MG1 3.170 . 4.540 2.909 2.825 3.089 . 0 0 "[ . 1 . 2]" 1
1432 4 74 PHE QE 4 118 VAL MG2 3.210 . 4.620 2.488 2.313 2.615 . 0 0 "[ . 1 . 2]" 1
1433 4 74 PHE QE 4 123 PHE QD 3.470 . 5.140 3.585 3.476 3.683 . 0 0 "[ . 1 . 2]" 1
1434 4 75 LEU H 4 76 CYS H 3.210 . 4.620 4.152 4.012 4.406 . 0 0 "[ . 1 . 2]" 1
1435 4 76 CYS H 4 77 GLU H 3.220 . 4.640 4.364 4.066 4.476 . 0 0 "[ . 1 . 2]" 1
1436 4 77 GLU H 4 78 VAL H 3.050 . 4.300 4.153 3.965 4.326 0.026 19 0 "[ . 1 . 2]" 1
1437 4 77 GLU H 4 78 VAL MG2 3.050 . 4.300 3.391 3.034 4.022 . 0 0 "[ . 1 . 2]" 1
1438 4 77 GLU H 4 117 MET ME 2.880 . 3.960 3.268 2.679 3.962 0.002 1 0 "[ . 1 . 2]" 1
1439 4 78 VAL H 4 79 GLN H 3.140 . 4.480 4.097 3.996 4.258 . 0 0 "[ . 1 . 2]" 1
1440 4 78 VAL MG1 4 79 GLN H 2.570 . 3.340 3.025 2.394 3.176 . 0 0 "[ . 1 . 2]" 1
1441 4 78 VAL MG1 4 80 GLN H 3.160 . 4.520 2.931 2.681 3.065 . 0 0 "[ . 1 . 2]" 1
1442 4 78 VAL MG2 4 79 GLN H 3.380 . 4.960 4.278 4.085 4.371 . 0 0 "[ . 1 . 2]" 1
1443 4 78 VAL MG2 4 114 ILE H 3.370 . 4.940 3.129 2.836 3.452 . 0 0 "[ . 1 . 2]" 1
1444 4 78 VAL MG2 4 117 MET ME 2.350 . 2.900 2.141 1.978 2.254 . 0 0 "[ . 1 . 2]" 1
1445 4 79 GLN H 4 80 GLN H 3.030 . 4.260 3.962 3.838 4.072 . 0 0 "[ . 1 . 2]" 1
1446 4 80 GLN H 4 81 GLY H 3.230 . 4.660 4.289 4.170 4.408 . 0 0 "[ . 1 . 2]" 1
1447 4 80 GLN H 4 110 ALA MB 3.250 . 4.700 4.103 3.796 4.403 . 0 0 "[ . 1 . 2]" 1
1448 4 81 GLY H 4 82 GLY H 3.240 . 4.680 4.517 4.462 4.569 . 0 0 "[ . 1 . 2]" 1
1449 4 82 GLY H 4 83 ILE H 3.200 . 4.600 4.200 4.055 4.303 . 0 0 "[ . 1 . 2]" 1
1450 4 82 GLY H 4 84 PHE QE 3.300 . 4.800 3.891 3.521 4.357 . 0 0 "[ . 1 . 2]" 1
1451 4 83 ILE H 4 84 PHE H 3.260 . 4.720 4.462 4.392 4.544 . 0 0 "[ . 1 . 2]" 1
1452 4 84 PHE H 4 85 SER H 3.210 . 4.620 4.331 4.149 4.448 . 0 0 "[ . 1 . 2]" 1
1453 4 84 PHE QD 4 85 SER H 3.370 . 4.940 4.163 3.788 4.569 . 0 0 "[ . 1 . 2]" 1
1454 4 85 SER H 4 86 ILE H 3.210 . 4.620 4.204 3.951 4.454 . 0 0 "[ . 1 . 2]" 1
1455 4 86 ILE H 4 87 ALA H 3.180 . 4.560 4.343 4.142 4.535 . 0 0 "[ . 1 . 2]" 1
1456 4 86 ILE MD 8 19 THR HG1 3.000 . 4.200 7.704 3.421 10.308 6.108 17 19 "[*** ************+*-*]" 1
1457 4 86 ILE MD 8 19 THR MG 3.000 . 4.200 7.243 4.084 9.655 5.455 17 18 "[*** **-******** +***]" 1
1458 4 87 ALA H 4 88 GLY H 3.050 . 4.300 4.356 4.084 4.493 0.193 18 0 "[ . 1 . 2]" 1
1459 4 87 ALA H 4 89 ILE H 3.400 . 5.000 4.626 4.043 5.128 0.128 4 0 "[ . 1 . 2]" 1
1460 4 87 ALA MB 4 88 GLY H 2.910 . 4.020 2.629 2.341 3.091 . 0 0 "[ . 1 . 2]" 1
1461 4 88 GLY H 4 89 ILE H 1.960 . 2.120 2.529 2.294 2.653 0.533 13 3 "[ . 1 +-. *]" 1
1462 4 89 ILE H 4 90 GLU H 3.270 . 4.740 4.478 4.310 4.574 . 0 0 "[ . 1 . 2]" 1
1463 4 90 GLU H 4 91 GLY H 3.200 . 4.600 4.362 4.271 4.438 . 0 0 "[ . 1 . 2]" 1
1464 4 90 GLU H 4 94 MET H 3.120 . 4.440 4.205 3.842 4.805 0.365 20 0 "[ . 1 . 2]" 1
1465 4 91 GLY H 4 92 THR H 3.320 . 4.830 4.593 4.493 4.635 . 0 0 "[ . 1 . 2]" 1
1466 4 91 GLY H 4 94 MET H 3.500 . 5.200 4.702 4.148 5.617 0.417 11 0 "[ . 1 . 2]" 1
1467 4 91 GLY H 4 94 MET ME 3.400 . 5.000 3.204 1.860 4.726 . 0 0 "[ . 1 . 2]" 1
1468 4 92 THR H 4 93 GLN H 2.090 . 2.380 2.478 2.267 2.666 0.286 18 0 "[ . 1 . 2]" 1
1469 4 92 THR H 4 94 MET H 3.060 . 4.320 4.348 4.131 4.698 0.378 7 0 "[ . 1 . 2]" 1
1470 4 93 GLN H 4 94 MET H 2.380 . 2.960 2.663 2.571 2.792 . 0 0 "[ . 1 . 2]" 1
1471 4 93 GLN H 4 95 ALA H 3.470 . 5.140 4.185 3.849 4.571 . 0 0 "[ . 1 . 2]" 1
1472 4 93 GLN H 4 96 HIS H 3.400 . 5.000 4.885 4.527 5.456 0.456 12 0 "[ . 1 . 2]" 1
1473 4 94 MET H 4 95 ALA H 2.480 . 3.160 2.627 2.492 2.895 . 0 0 "[ . 1 . 2]" 1
1474 4 94 MET H 4 96 HIS H 2.980 . 4.160 4.064 3.718 4.522 0.362 12 0 "[ . 1 . 2]" 1
1475 4 94 MET H 4 97 CYS H 3.410 . 5.020 4.651 4.484 4.952 . 0 0 "[ . 1 . 2]" 1
1476 4 94 MET ME 8 19 THR HG1 3.260 . 4.720 4.811 1.974 8.657 3.937 16 7 "[ - ** *1** .+ 2]" 1
1477 4 94 MET ME 8 22 ARG QB 3.530 . 5.250 7.071 2.052 9.604 4.354 13 14 "[* * * -*** *+** ***2]" 1
1478 4 95 ALA H 4 96 HIS H 2.240 . 2.680 2.611 2.437 2.758 0.078 12 0 "[ . 1 . 2]" 1
1479 4 95 ALA H 4 97 CYS H 3.250 . 4.700 4.016 3.764 4.238 . 0 0 "[ . 1 . 2]" 1
1480 4 95 ALA H 4 98 LEU H 3.460 . 5.120 5.044 4.829 5.653 0.533 14 1 "[ . 1 +. 2]" 1
1481 4 95 ALA H 4 98 LEU QD 3.400 . 5.000 4.795 3.995 5.432 0.432 18 0 "[ . 1 . 2]" 1
1482 4 95 ALA MB 4 96 HIS H 2.700 . 3.600 2.678 2.489 2.891 . 0 0 "[ . 1 . 2]" 1
1483 4 96 HIS H 4 97 CYS H 2.400 . 3.000 2.533 2.369 2.691 . 0 0 "[ . 1 . 2]" 1
1484 4 96 HIS H 4 98 LEU H 3.010 . 4.220 4.347 4.173 4.662 0.442 5 0 "[ . 1 . 2]" 1
1485 4 96 HIS H 4 99 GLY H 3.360 . 4.920 4.590 4.386 4.806 . 0 0 "[ . 1 . 2]" 1
1486 4 97 CYS H 4 98 LEU H 2.300 . 2.800 2.679 2.529 2.805 0.005 15 0 "[ . 1 . 2]" 1
1487 4 97 CYS H 4 99 GLY H 3.020 . 4.240 3.796 3.550 4.106 . 0 0 "[ . 1 . 2]" 1
1488 4 97 CYS H 4 100 ALA H 3.520 . 5.240 4.981 4.607 5.319 0.079 16 0 "[ . 1 . 2]" 1
1489 4 98 LEU H 4 99 GLY H 2.200 . 2.600 2.364 2.127 2.667 0.067 4 0 "[ . 1 . 2]" 1
1490 4 98 LEU H 4 100 ALA H 2.980 . 4.160 4.059 3.627 4.221 0.061 5 0 "[ . 1 . 2]" 1
1491 4 98 LEU H 4 101 TYR H 3.490 . 5.180 4.886 4.531 5.154 . 0 0 "[ . 1 . 2]" 1
1492 4 98 LEU H 4 102 CYS H 3.470 . 5.140 4.925 4.792 5.177 0.037 4 0 "[ . 1 . 2]" 1
1493 4 98 LEU QD 8 19 THR HG1 3.000 . 4.200 6.909 5.154 8.055 3.855 16 20 [*-*************+****] 1
1494 4 98 LEU QD 8 22 ARG QB 3.000 . 4.200 6.705 4.878 8.878 4.678 7 20 [****-*+*************] 1
1495 4 99 GLY H 4 100 ALA H 2.180 . 2.560 2.524 2.357 2.779 0.219 4 0 "[ . 1 . 2]" 1
1496 4 99 GLY H 4 100 ALA MB 3.350 . 4.900 4.145 3.896 4.402 . 0 0 "[ . 1 . 2]" 1
1497 4 99 GLY H 4 101 TYR H 3.250 . 4.700 4.290 3.996 4.714 0.014 7 0 "[ . 1 . 2]" 1
1498 4 99 GLY H 4 102 CYS H 3.380 . 4.960 4.910 4.590 5.755 0.795 4 1 "[ +. 1 . 2]" 1
1499 4 100 ALA H 4 101 TYR H 2.210 . 2.620 2.322 2.079 2.709 0.089 7 0 "[ . 1 . 2]" 1
1500 4 100 ALA H 4 102 CYS H 2.510 . 3.220 3.433 3.242 3.959 0.739 4 2 "[ +. 1 - 2]" 1
1501 4 100 ALA MB 4 101 TYR H 2.360 . 2.920 2.297 2.112 2.503 . 0 0 "[ . 1 . 2]" 1
1502 4 100 ALA MB 4 134 ASP H 3.090 . 4.380 3.333 2.485 3.894 . 0 0 "[ . 1 . 2]" 1
1503 4 101 TYR H 4 102 CYS H 2.290 . 2.780 2.736 2.616 2.944 0.164 4 0 "[ . 1 . 2]" 1
1504 4 101 TYR QD 4 102 CYS H 3.100 . 4.400 3.753 3.301 4.299 . 0 0 "[ . 1 . 2]" 1
1505 4 109 TYR H 4 110 ALA H 2.260 . 2.730 2.534 2.458 2.630 . 0 0 "[ . 1 . 2]" 1
1506 4 109 TYR H 4 111 ARG H 3.050 . 4.300 4.116 4.002 4.320 0.020 10 0 "[ . 1 . 2]" 1
1507 4 109 TYR QD 4 110 ALA H 3.370 . 4.940 4.347 4.176 4.535 . 0 0 "[ . 1 . 2]" 1
1508 4 110 ALA H 4 111 ARG H 2.170 . 2.540 2.624 2.558 2.696 0.156 10 0 "[ . 1 . 2]" 1
1509 4 110 ALA H 4 112 GLU H 3.040 . 4.280 4.076 3.782 4.250 . 0 0 "[ . 1 . 2]" 1
1510 4 110 ALA H 4 113 CYS H 3.480 . 5.160 4.866 4.719 4.997 . 0 0 "[ . 1 . 2]" 1
1511 4 110 ALA MB 4 111 ARG H 2.640 . 3.480 2.394 2.260 2.500 . 0 0 "[ . 1 . 2]" 1
1512 4 111 ARG H 4 112 GLU H 2.380 . 2.960 2.802 2.631 2.957 . 0 0 "[ . 1 . 2]" 1
1513 4 111 ARG H 4 113 CYS H 3.120 . 4.440 4.433 4.288 4.563 0.123 16 0 "[ . 1 . 2]" 1
1514 4 112 GLU H 4 113 CYS H 2.280 . 2.760 2.761 2.711 2.899 0.139 12 0 "[ . 1 . 2]" 1
1515 4 112 GLU H 4 114 ILE H 3.400 . 5.000 4.306 4.173 4.423 . 0 0 "[ . 1 . 2]" 1
1516 4 112 GLU H 4 115 THR H 3.470 . 5.140 4.760 4.634 5.037 . 0 0 "[ . 1 . 2]" 1
1517 4 113 CYS H 4 114 ILE H 2.460 . 3.120 2.765 2.702 2.813 . 0 0 "[ . 1 . 2]" 1
1518 4 113 CYS H 4 115 THR H 3.110 . 4.410 4.336 4.157 4.575 0.165 2 0 "[ . 1 . 2]" 1
1519 4 113 CYS H 4 116 SER H 3.380 . 4.960 4.896 4.805 4.985 0.025 2 0 "[ . 1 . 2]" 1
1520 4 114 ILE H 4 115 THR H 2.410 . 3.020 2.821 2.650 2.960 . 0 0 "[ . 1 . 2]" 1
1521 4 114 ILE H 4 116 SER H 3.080 . 4.360 4.259 4.165 4.365 0.005 20 0 "[ . 1 . 2]" 1
1522 4 114 ILE H 4 117 MET H 3.460 . 5.120 4.934 4.781 5.044 . 0 0 "[ . 1 . 2]" 1
1523 4 114 ILE H 4 117 MET ME 3.400 . 5.000 3.617 3.486 3.681 . 0 0 "[ . 1 . 2]" 1
1524 4 115 THR H 4 116 SER H 2.360 . 2.920 2.763 2.689 2.862 . 0 0 "[ . 1 . 2]" 1
1525 4 115 THR H 4 117 MET H 3.270 . 4.740 4.320 4.196 4.458 . 0 0 "[ . 1 . 2]" 1
1526 4 115 THR H 4 118 VAL H 3.480 . 5.160 4.794 4.690 4.945 . 0 0 "[ . 1 . 2]" 1
1527 4 116 SER H 4 117 MET H 2.280 . 2.760 2.652 2.589 2.716 . 0 0 "[ . 1 . 2]" 1
1528 4 116 SER H 4 118 VAL H 3.060 . 4.320 3.987 3.926 4.108 . 0 0 "[ . 1 . 2]" 1
1529 4 116 SER H 4 119 SER H 3.470 . 5.140 4.796 4.735 4.844 . 0 0 "[ . 1 . 2]" 1
1530 4 117 MET H 4 118 VAL H 2.390 . 2.980 2.590 2.544 2.652 . 0 0 "[ . 1 . 2]" 1
1531 4 117 MET H 4 119 SER H 3.080 . 4.360 4.204 4.149 4.273 . 0 0 "[ . 1 . 2]" 1
1532 4 118 VAL H 4 119 SER H 2.360 . 2.920 2.666 2.613 2.712 . 0 0 "[ . 1 . 2]" 1
1533 4 118 VAL MG1 4 119 SER H 3.170 . 4.540 3.385 3.317 3.449 . 0 0 "[ . 1 . 2]" 1
1534 4 118 VAL MG1 4 123 PHE H 3.070 . 4.340 3.378 3.100 3.584 . 0 0 "[ . 1 . 2]" 1
1535 4 118 VAL MG1 4 123 PHE QD 3.150 . 4.500 3.537 3.380 3.714 . 0 0 "[ . 1 . 2]" 1
1536 4 118 VAL MG1 4 126 LEU H 3.460 . 5.120 3.074 2.776 3.331 . 0 0 "[ . 1 . 2]" 1
1537 4 118 VAL MG2 4 119 SER H 3.370 . 4.940 3.864 3.801 3.952 . 0 0 "[ . 1 . 2]" 1
1538 4 119 SER H 4 121 GLY H 3.050 . 4.300 3.976 3.884 4.079 . 0 0 "[ . 1 . 2]" 1
1539 4 121 GLY H 4 122 THR H 2.300 . 2.800 2.537 2.465 2.619 . 0 0 "[ . 1 . 2]" 1
1540 4 121 GLY H 4 123 PHE H 2.740 . 3.680 3.921 3.747 4.028 0.348 5 0 "[ . 1 . 2]" 1
1541 4 122 THR H 4 123 PHE H 2.310 . 2.820 2.779 2.687 2.876 0.056 7 0 "[ . 1 . 2]" 1
1542 4 125 GLN H 4 126 LEU H 3.330 . 4.860 4.613 4.537 4.665 . 0 0 "[ . 1 . 2]" 1
1543 4 126 LEU H 4 127 ASN H 3.070 . 4.340 4.051 3.877 4.312 . 0 0 "[ . 1 . 2]" 1
1544 4 126 LEU QD 4 127 ASN H 2.700 . 3.600 2.955 2.222 3.399 . 0 0 "[ . 1 . 2]" 1
1545 4 126 LEU QD 4 128 LEU H 3.320 . 4.830 3.944 2.944 4.841 0.011 12 0 "[ . 1 . 2]" 1
1546 4 126 LEU QD 4 128 LEU QD 2.520 . 3.240 2.949 2.135 4.622 1.382 12 4 "[ .* 1 +- * 2]" 1
1547 4 126 LEU QD 8 6 ILE MG 3.530 . 5.250 3.897 1.794 6.545 1.295 10 2 "[ -. + . 2]" 1
1548 4 127 ASN H 4 128 LEU H 3.110 . 4.410 4.176 3.950 4.415 0.005 5 0 "[ . 1 . 2]" 1
1549 4 128 LEU H 4 129 ALA H 3.230 . 4.660 4.473 4.389 4.568 . 0 0 "[ . 1 . 2]" 1
1550 4 128 LEU QD 8 8 LEU QB 3.530 . 5.250 4.703 2.262 6.876 1.626 4 4 "[- +. * 1 . *]" 1
1551 4 131 VAL QG 4 133 PHE H 3.200 . 4.600 3.392 2.591 4.275 . 0 0 "[ . 1 . 2]" 1
1552 4 131 VAL QG 4 136 LEU QD 2.290 . 2.780 3.676 2.042 5.058 2.278 2 13 "[*+ *** 1* ***-* **]" 1
1553 4 133 PHE H 4 134 ASP H 2.360 . 2.920 2.545 2.292 2.730 . 0 0 "[ . 1 . 2]" 1
1554 4 133 PHE H 4 135 ALA H 3.440 . 5.080 4.490 4.038 4.779 . 0 0 "[ . 1 . 2]" 1
1555 4 133 PHE H 4 136 LEU H 3.400 . 5.000 5.141 4.857 5.434 0.434 17 0 "[ . 1 . 2]" 1
1556 4 133 PHE QD 4 134 ASP H 3.360 . 4.920 4.095 3.093 4.728 . 0 0 "[ . 1 . 2]" 1
1557 4 133 PHE QE 8 12 PRO QD 3.000 . 4.200 7.020 5.983 9.708 5.508 5 20 [****+*********-*****] 1
1558 4 134 ASP H 4 135 ALA H 2.430 . 3.060 2.847 2.696 2.996 . 0 0 "[ . 1 . 2]" 1
1559 4 134 ASP H 4 136 LEU H 2.940 . 4.080 4.280 4.019 4.509 0.429 17 0 "[ . 1 . 2]" 1
1560 4 134 ASP H 4 137 PHE H 3.390 . 4.980 4.855 4.648 5.066 0.086 14 0 "[ . 1 . 2]" 1
1561 4 135 ALA H 4 136 LEU H 2.360 . 2.920 2.680 2.591 2.756 . 0 0 "[ . 1 . 2]" 1
1562 4 135 ALA H 4 137 PHE H 3.140 . 4.480 4.176 3.885 4.414 . 0 0 "[ . 1 . 2]" 1
1563 4 135 ALA H 4 138 MET H 3.320 . 4.840 4.771 4.486 5.116 0.276 8 0 "[ . 1 . 2]" 1
1564 4 135 ALA H 4 138 MET ME 3.070 . 4.340 3.461 3.178 3.824 . 0 0 "[ . 1 . 2]" 1
1565 4 135 ALA MB 4 136 LEU H 2.680 . 3.560 2.532 2.422 2.814 . 0 0 "[ . 1 . 2]" 1
1566 4 136 LEU H 4 137 PHE H 2.300 . 2.800 2.712 2.452 2.883 0.083 8 0 "[ . 1 . 2]" 1
1567 4 136 LEU H 4 138 MET H 3.010 . 4.220 4.155 3.737 4.595 0.375 8 0 "[ . 1 . 2]" 1
1568 4 136 LEU H 4 139 ASN H 3.400 . 5.000 5.013 4.580 5.498 0.498 4 0 "[ . 1 . 2]" 1
1569 4 136 LEU QD 8 11 LEU QD 3.000 . 4.200 5.544 3.950 6.870 2.670 17 19 "[****************+ *-]" 1
1570 4 137 PHE H 4 138 MET H 2.130 . 2.460 2.590 2.432 2.835 0.375 8 0 "[ . 1 . 2]" 1
1571 4 137 PHE H 4 139 ASN H 2.980 . 4.160 4.109 3.841 4.482 0.322 1 0 "[ . 1 . 2]" 1
1572 4 137 PHE QD 4 138 MET H 3.410 . 5.020 4.208 3.361 4.826 . 0 0 "[ . 1 . 2]" 1
1573 4 137 PHE QD 8 11 LEU QD 3.000 . 4.200 4.318 2.647 5.782 1.582 15 6 "[ . *1- **+ * 2]" 1
1574 4 137 PHE QE 8 12 PRO QD 3.000 . 4.200 6.584 5.159 8.409 4.209 15 20 [**************+****-] 1
1575 4 137 PHE QE 8 15 PHE QD 3.000 . 4.200 6.133 3.888 8.472 4.272 14 18 "[***********-*+*** *2]" 1
1576 4 138 MET H 4 139 ASN H 2.280 . 2.760 2.651 2.535 2.779 0.019 1 0 "[ . 1 . 2]" 1
1577 4 138 MET H 4 140 TYR H 3.120 . 4.440 4.239 3.681 4.495 0.055 13 0 "[ . 1 . 2]" 1
1578 4 138 MET H 4 141 LEU H 3.490 . 5.180 5.048 4.715 5.675 0.495 8 0 "[ . 1 . 2]" 1
1579 4 139 ASN H 4 140 TYR H 2.360 . 2.920 2.654 2.384 2.947 0.027 7 0 "[ . 1 . 2]" 1
1580 4 139 ASN H 4 141 LEU H 3.110 . 4.410 4.177 3.974 4.463 0.053 5 0 "[ . 1 . 2]" 1
1581 4 140 TYR H 4 141 LEU H 2.220 . 2.640 2.622 2.300 2.846 0.206 7 0 "[ . 1 . 2]" 1
1582 4 140 TYR H 4 141 LEU MD1 3.450 . 5.100 3.820 3.492 4.567 . 0 0 "[ . 1 . 2]" 1
1583 4 140 TYR QD 4 141 LEU H 3.060 . 4.320 3.746 3.499 4.093 . 0 0 "[ . 1 . 2]" 1
1584 4 140 TYR QD 4 141 LEU MD1 3.140 . 4.480 2.061 1.768 2.421 0.032 6 0 "[ . 1 . 2]" 1
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