NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607159 |
5jto   |
30083 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jto
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 1450
_Distance_constraint_stats_list.Viol_count 4889
_Distance_constraint_stats_list.Viol_total 28446.504
_Distance_constraint_stats_list.Viol_max 3.772
_Distance_constraint_stats_list.Viol_rms 0.1856
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0490
_Distance_constraint_stats_list.Viol_average_violations_only 0.2909
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 1.114 0.397 15 0 "[ . 1 . 2]"
1 11 PHE 0.049 0.049 11 0 "[ . 1 . 2]"
1 12 GLN 0.158 0.049 11 0 "[ . 1 . 2]"
1 13 ILE 0.041 0.026 12 0 "[ . 1 . 2]"
1 14 GLN 3.365 0.411 16 0 "[ . 1 . 2]"
1 15 ARG 4.322 0.431 16 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 1.637 0.216 2 0 "[ . 1 . 2]"
1 18 THR 0.289 0.132 12 0 "[ . 1 . 2]"
1 19 LYS 23.609 1.121 12 20 [***********+***-****]
1 20 ASP 12.185 0.760 6 11 "[*** *+ - 1****. *2]"
1 21 ILE 7.282 0.760 17 5 "[ ** 1* . +- 2]"
1 22 SER 2.574 0.237 2 0 "[ . 1 . 2]"
1 23 PHE 11.303 0.716 14 4 "[ * 1 +- * 2]"
1 24 GLU 10.315 0.716 14 4 "[ * 1 +- * 2]"
1 25 ALA 0.113 0.096 2 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 8.793 0.868 5 2 "[ + 1 . - 2]"
1 30 HIS 17.346 0.868 5 5 "[ +* ** . * 2]"
1 31 VAL 15.350 3.772 6 6 "[ * -+ * * . *]"
1 32 PHE 6.803 0.372 5 0 "[ . 1 . 2]"
1 33 GLN 10.139 0.588 9 4 "[ -* +* . 2]"
1 34 LYS 6.212 0.512 5 1 "[ + 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TRP 15.104 3.772 6 4 "[ * .+ * - . 2]"
1 37 GLN 15.048 2.004 6 15 "[*** *+****- **. ***]"
1 39 GLU 16.371 0.912 16 9 "[ * .*-**1 **.+* 2]"
1 40 VAL 7.354 0.649 7 2 "[ . + 1 - . 2]"
1 41 LYS 6.965 0.847 13 6 "[- * * 1 +** 2]"
1 42 LEU 11.326 1.961 13 5 "[- * . * 1 + . * 2]"
1 43 ASP 7.129 0.570 19 1 "[ . 1 . +2]"
1 44 LEU 32.736 1.961 13 12 "[****. ** 1 -+** **2]"
1 45 ASP 6.887 0.589 14 2 "[ . - 1 +. 2]"
1 46 THR 9.786 1.699 2 8 "[ +**. * 1 -** *2]"
1 47 ALA 2.359 0.512 6 1 "[ .+ 1 . 2]"
1 48 SER 0.008 0.008 7 0 "[ . 1 . 2]"
1 49 SER 4.376 0.344 9 0 "[ . 1 . 2]"
1 50 GLN 1.249 0.232 15 0 "[ . 1 . 2]"
1 51 LEU 6.729 0.619 19 4 "[ . *1 -. *+2]"
1 52 ALA 0.164 0.118 10 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.404 0.103 9 0 "[ . 1 . 2]"
1 55 VAL 21.875 3.294 2 3 "[ + . - 1 * . 2]"
1 56 TYR 21.020 3.294 2 3 "[ + . - 1 * . 2]"
1 57 GLU 6.505 0.619 19 4 "[ . *1 -. *+2]"
1 58 VAL 10.293 0.817 7 3 "[ * .-+ 1 . 2]"
1 59 VAL 0.872 0.248 6 0 "[ . 1 . 2]"
1 60 LEU 5.787 0.686 4 3 "[* +. 1 - . 2]"
1 61 ARG 3.395 0.589 14 2 "[ . - 1 +. 2]"
1 62 VAL 5.148 0.654 7 3 "[ *. + 1 - . 2]"
1 63 THR 8.651 0.749 7 1 "[ . + 1 . 2]"
1 64 VAL 7.246 0.847 13 6 "[- * * 1 +** 2]"
1 65 THR 3.448 0.570 19 1 "[ . 1 . +2]"
1 66 ALA 11.516 0.912 16 9 "[ * .*-**1 **.+* 2]"
1 67 SER 1.981 0.376 16 0 "[ . 1 . 2]"
1 68 LEU 39.369 1.236 5 20 [***-+***************]
1 69 GLY 20.731 0.848 9 19 "[****-***+* *********]"
1 70 GLU 14.920 1.236 5 7 "[ *+ * *1 * * * 2]"
1 71 GLU 7.396 0.639 5 2 "[ + 1 - . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 1.829 0.365 13 0 "[ . 1 . 2]"
1 74 PHE 0.255 0.223 4 0 "[ . 1 . 2]"
1 75 LEU 0.125 0.044 15 0 "[ . 1 . 2]"
1 76 CYS 2.256 0.404 10 0 "[ . 1 . 2]"
1 77 GLU 0.833 0.320 10 0 "[ . 1 . 2]"
1 78 VAL 4.372 0.292 9 0 "[ . 1 . 2]"
1 79 GLN 34.665 1.121 12 20 [*******-***+********]
1 80 GLN 6.110 0.342 5 0 "[ . 1 . 2]"
1 81 GLY 1.236 0.227 19 0 "[ . 1 . 2]"
1 82 GLY 2.675 0.686 4 2 "[- +. 1 . 2]"
1 83 ILE 6.504 0.431 16 0 "[ . 1 . 2]"
1 84 PHE 3.796 0.817 7 2 "[ - . + 1 . 2]"
1 85 SER 2.972 0.356 8 0 "[ . 1 . 2]"
1 86 ILE 2.690 0.512 7 1 "[ . + 1 . 2]"
1 87 ALA 3.382 0.438 10 0 "[ . 1 . 2]"
1 88 GLY 7.338 0.767 13 6 "[ * * 1 + . ** -]"
1 89 ILE 9.146 0.767 13 6 "[ * * 1 + . ** -]"
1 90 GLU 0.009 0.009 20 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 2.185 0.467 17 0 "[ . 1 . 2]"
1 93 GLN 1.036 0.256 5 0 "[ . 1 . 2]"
1 94 MET 14.354 1.457 1 11 "[+ **.** * -*. * **]"
1 95 ALA 8.054 1.132 14 7 "[ * *.- 1 +. * **]"
1 96 HIS 8.759 0.851 2 6 "[ + .- 1 .****2]"
1 97 CYS 2.111 0.283 2 0 "[ . 1 . 2]"
1 98 LEU 37.306 1.457 1 11 "[+** .-* * * .****2]"
1 99 GLY 19.620 0.786 1 13 "[+ **** *****- * * 2]"
1 100 ALA 18.802 0.768 1 9 "[+ * .* ** - *. * *]"
1 101 TYR 3.633 0.360 18 0 "[ . 1 . 2]"
1 102 CYS 26.798 0.786 1 15 "[+ **** ****-*** * *]"
1 109 TYR 1.131 0.224 17 0 "[ . 1 . 2]"
1 110 ALA 4.124 0.189 11 0 "[ . 1 . 2]"
1 111 ARG 3.310 0.224 17 0 "[ . 1 . 2]"
1 112 GLU 2.831 0.249 13 0 "[ . 1 . 2]"
1 113 CYS 2.675 0.249 13 0 "[ . 1 . 2]"
1 114 ILE 0.155 0.084 15 0 "[ . 1 . 2]"
1 115 THR 0.091 0.091 13 0 "[ . 1 . 2]"
1 116 SER 0.315 0.084 15 0 "[ . 1 . 2]"
1 117 MET 0.772 0.320 10 0 "[ . 1 . 2]"
1 118 VAL 0.009 0.009 10 0 "[ . 1 . 2]"
1 119 SER 0.027 0.020 6 0 "[ . 1 . 2]"
1 121 GLY 1.470 0.347 14 0 "[ . 1 . 2]"
1 122 THR 1.361 0.276 14 0 "[ . 1 . 2]"
1 123 PHE 2.625 0.864 20 1 "[ . 1 . +]"
1 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 4.604 0.398 2 0 "[ . 1 . 2]"
1 127 ASN 3.163 0.398 2 0 "[ . 1 . 2]"
1 128 LEU 2.533 0.635 12 2 "[ . 1-+ . 2]"
1 129 ALA 1.452 0.575 11 1 "[ . 1+ . 2]"
1 131 VAL 9.796 3.530 17 4 "[ -*. 1 * + 2]"
1 133 PHE 20.670 3.530 17 10 "[***-. *** ** + 2]"
1 134 ASP 2.113 0.310 14 0 "[ . 1 . 2]"
1 135 ALA 5.064 0.424 7 0 "[ . 1 . 2]"
1 136 LEU 7.209 0.797 10 7 "[** -. **+ *. 2]"
1 137 PHE 6.853 0.559 2 1 "[ + . 1 . 2]"
1 138 MET 8.802 0.424 7 0 "[ . 1 . 2]"
1 139 ASN 0.015 0.015 7 0 "[ . 1 . 2]"
1 140 TYR 5.578 0.559 2 1 "[ + . 1 . 2]"
1 141 LEU 1.414 0.251 4 0 "[ . 1 . 2]"
2 9 MET 3.647 0.754 15 4 "[ .* - + *2]"
2 10 THR 3.708 0.754 15 4 "[ .* - + *2]"
2 11 PHE 10.378 0.854 17 6 "[ * . ** 1 -*. + 2]"
2 12 GLN 12.758 0.854 17 7 "[ * . ** 1 **- + 2]"
2 13 ILE 1.476 0.257 16 0 "[ . 1 . 2]"
2 14 GLN 5.398 0.444 14 0 "[ . 1 . 2]"
2 15 ARG 2.880 0.338 17 0 "[ . 1 . 2]"
2 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 TYR 0.300 0.127 17 0 "[ . 1 . 2]"
2 18 THR 1.361 0.276 14 0 "[ . 1 . 2]"
2 19 LYS 3.819 0.388 11 0 "[ . 1 . 2]"
2 20 ASP 0.873 0.171 18 0 "[ . 1 . 2]"
2 21 ILE 1.023 0.290 20 0 "[ . 1 . 2]"
2 22 SER 0.237 0.101 11 0 "[ . 1 . 2]"
2 23 PHE 0.982 0.267 16 0 "[ . 1 . 2]"
2 24 GLU 1.570 0.402 10 0 "[ . 1 . 2]"
2 25 ALA 5.473 0.760 17 5 "[ ** 1* . +- 2]"
2 27 ASN 0.158 0.115 4 0 "[ . 1 . 2]"
2 28 ALA 4.792 0.719 7 1 "[ . + 1 . 2]"
2 30 HIS 2.901 0.719 7 1 "[ . + 1 . 2]"
2 31 VAL 6.339 1.531 19 3 "[ . 1 .*- +2]"
2 32 PHE 1.825 0.543 13 1 "[ . 1 + . 2]"
2 33 GLN 5.919 1.530 16 3 "[ . 1 .+- *2]"
2 34 LYS 4.113 0.729 16 4 "[ . 1 - .+* *2]"
2 35 ASP 17.667 1.801 17 8 "[ * .- 1* *.*+**2]"
2 36 TRP 16.825 1.531 19 10 "[ * .- *** *.***+2]"
2 37 GLN 3.717 1.274 10 2 "[ . -+ . 2]"
2 39 GLU 26.492 1.359 14 20 [*-***********+******]
2 40 VAL 0.112 0.112 14 0 "[ . 1 . 2]"
2 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 LEU 3.481 1.152 19 2 "[ . 1 - . +2]"
2 43 ASP 11.323 1.154 18 7 "[ .* * * .*-+*2]"
2 44 LEU 13.543 1.154 18 7 "[ .* * - .**+*2]"
2 45 ASP 4.399 0.581 17 1 "[ . 1 . + 2]"
2 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ALA 2.907 0.275 14 0 "[ . 1 . 2]"
2 48 SER 2.600 0.272 12 0 "[ . 1 . 2]"
2 49 SER 0.217 0.058 5 0 "[ . 1 . 2]"
2 50 GLN 0.718 0.100 9 0 "[ . 1 . 2]"
2 51 LEU 5.545 0.525 3 2 "[ + . 1 -. 2]"
2 52 ALA 0.259 0.088 18 0 "[ . 1 . 2]"
2 53 ASP 0.162 0.040 2 0 "[ . 1 . 2]"
2 54 ASP 1.653 1.653 8 1 "[ . + 1 . 2]"
2 55 VAL 13.085 1.460 8 2 "[ . + 1 . - 2]"
2 56 TYR 18.616 1.653 8 5 "[ *. +*1 * - 2]"
2 57 GLU 4.264 0.525 3 2 "[ + . 1 -. 2]"
2 58 VAL 2.741 0.391 7 0 "[ . 1 . 2]"
2 59 VAL 1.400 0.207 2 0 "[ . 1 . 2]"
2 60 LEU 3.846 0.567 15 1 "[ . 1 + 2]"
2 61 ARG 3.371 0.581 17 2 "[ . 1 - + 2]"
2 62 VAL 1.003 0.158 6 0 "[ . 1 . 2]"
2 63 THR 2.978 0.348 14 0 "[ . 1 . 2]"
2 64 VAL 4.160 0.427 11 0 "[ . 1 . 2]"
2 65 THR 5.598 0.427 11 0 "[ . 1 . 2]"
2 66 ALA 4.753 0.591 6 2 "[ .+ 1- . 2]"
2 67 SER 16.819 1.359 14 20 [*-***********+******]
2 68 LEU 28.662 1.801 17 10 "[* * . ** 1 *-*+ **]"
2 69 GLY 5.683 0.881 7 3 "[ . + 1 .- *]"
2 70 GLU 0.010 0.010 8 0 "[ . 1 . 2]"
2 71 GLU 0.666 0.241 7 0 "[ . 1 . 2]"
2 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 ALA 9.641 0.793 7 3 "[* . + 1 . -]"
2 74 PHE 12.474 0.949 1 9 "[+ * . ** 1 -** **]"
2 75 LEU 0.619 0.402 10 0 "[ . 1 . 2]"
2 76 CYS 4.721 0.591 6 2 "[ .+ 1- . 2]"
2 77 GLU 0.280 0.101 11 0 "[ . 1 . 2]"
2 78 VAL 0.051 0.047 11 0 "[ . 1 . 2]"
2 79 GLN 4.812 0.388 11 0 "[ . 1 . 2]"
2 80 GLN 0.372 0.121 6 0 "[ . 1 . 2]"
2 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 GLY 1.576 0.409 6 0 "[ . 1 . 2]"
2 83 ILE 3.684 0.444 14 0 "[ . 1 . 2]"
2 84 PHE 2.241 0.391 7 0 "[ . 1 . 2]"
2 85 SER 4.867 0.525 15 1 "[ . 1 + 2]"
2 86 ILE 10.124 1.290 8 5 "[ *. +*1 * - 2]"
2 87 ALA 1.881 0.593 10 1 "[ . + . 2]"
2 88 GLY 6.948 0.740 12 5 "[ * - * + * 2]"
2 89 ILE 8.767 0.740 12 5 "[ * - * + * 2]"
2 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 THR 12.003 0.589 9 3 "[ . -+1* . 2]"
2 93 GLN 7.637 0.512 8 1 "[ . + 1 . 2]"
2 94 MET 6.883 1.179 20 3 "[ *. 1- . +]"
2 95 ALA 7.265 1.292 15 4 "[ * -1 *+ 2]"
2 96 HIS 5.242 0.358 9 0 "[ . 1 . 2]"
2 97 CYS 2.170 0.299 8 0 "[ . 1 . 2]"
2 98 LEU 13.682 1.292 15 5 "[ -* 1 *+ *]"
2 99 GLY 15.017 0.583 5 4 "[ * + 1 *. -2]"
2 100 ALA 11.084 0.545 18 6 "[ * * ** - + 2]"
2 101 TYR 5.932 0.561 3 1 "[ + . 1 . 2]"
2 102 CYS 12.199 0.583 5 8 "[ * + ** *- **2]"
2 109 TYR 0.316 0.093 7 0 "[ . 1 . 2]"
2 110 ALA 4.688 0.280 17 0 "[ . 1 . 2]"
2 111 ARG 2.948 0.233 19 0 "[ . 1 . 2]"
2 112 GLU 1.439 0.280 17 0 "[ . 1 . 2]"
2 113 CYS 1.855 0.201 18 0 "[ . 1 . 2]"
2 114 ILE 0.127 0.069 14 0 "[ . 1 . 2]"
2 115 THR 4.709 0.201 18 0 "[ . 1 . 2]"
2 116 SER 2.577 0.152 14 0 "[ . 1 . 2]"
2 117 MET 2.444 0.194 19 0 "[ . 1 . 2]"
2 118 VAL 7.047 0.441 20 0 "[ . 1 . 2]"
2 119 SER 6.302 0.441 20 0 "[ . 1 . 2]"
2 121 GLY 3.443 0.582 10 1 "[ . + . 2]"
2 122 THR 0.237 0.132 12 0 "[ . 1 . 2]"
2 123 PHE 3.480 0.582 10 1 "[ . + . 2]"
2 125 GLN 1.531 0.412 5 0 "[ . 1 . 2]"
2 126 LEU 2.892 0.651 20 2 "[ .- 1 . +]"
2 127 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 128 LEU 4.861 0.651 20 2 "[ .- 1 . +]"
2 129 ALA 0.986 0.456 12 0 "[ . 1 . 2]"
2 131 VAL 0.072 0.072 19 0 "[ . 1 . 2]"
2 133 PHE 1.207 0.265 1 0 "[ . 1 . 2]"
2 134 ASP 0.674 0.334 6 0 "[ . 1 . 2]"
2 135 ALA 0.657 0.131 4 0 "[ . 1 . 2]"
2 136 LEU 36.526 2.737 6 14 "[****.+* ** * -*** *2]"
2 137 PHE 36.112 2.737 6 14 "[****.+* ** * -*** *2]"
2 138 MET 1.625 0.375 17 0 "[ . 1 . 2]"
2 139 ASN 1.071 0.450 5 0 "[ . 1 . 2]"
2 140 TYR 0.360 0.292 3 0 "[ . 1 . 2]"
2 141 LEU 2.149 0.450 5 0 "[ . 1 . 2]"
3 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 PHE 12.774 0.700 20 7 "[ * 1* * *- *+]"
3 12 GLN 18.010 0.700 20 7 "[ * 1* * *- *+]"
3 13 ILE 5.236 0.393 20 0 "[ . 1 . 2]"
3 14 GLN 2.512 0.647 12 1 "[ . 1 + . 2]"
3 15 ARG 0.336 0.147 6 0 "[ . 1 . 2]"
3 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 17 TYR 2.614 0.389 1 0 "[ . 1 . 2]"
3 18 THR 2.090 0.275 14 0 "[ . 1 . 2]"
3 19 LYS 5.741 0.441 8 0 "[ . 1 . 2]"
3 20 ASP 11.338 0.762 8 6 "[* * . -+ * * 2]"
3 21 ILE 0.433 0.099 14 0 "[ . 1 . 2]"
3 22 SER 8.491 0.797 3 3 "[ *+ . 1 - 2]"
3 23 PHE 0.420 0.134 1 0 "[ . 1 . 2]"
3 24 GLU 0.420 0.134 1 0 "[ . 1 . 2]"
3 25 ALA 2.734 0.686 1 1 "[+ . 1 . 2]"
3 27 ASN 0.070 0.070 19 0 "[ . 1 . 2]"
3 28 ALA 3.157 0.407 14 0 "[ . 1 . 2]"
3 30 HIS 3.043 0.407 14 0 "[ . 1 . 2]"
3 31 VAL 8.954 2.660 13 4 "[ .* 1 + - * 2]"
3 32 PHE 2.908 0.483 16 0 "[ . 1 . 2]"
3 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
3 34 LYS 13.551 3.495 6 7 "[* .+* 1 ** - * 2]"
3 35 ASP 0.896 0.355 14 0 "[ . 1 . 2]"
3 36 TRP 29.379 3.495 6 7 "[* .+* 1 ** - * 2]"
3 37 GLN 9.353 1.823 6 7 "[* .+* 1 -* * * 2]"
3 39 GLU 14.840 1.199 6 13 "[* ***+* *1 ** ***- 2]"
3 40 VAL 8.758 0.945 6 5 "[ .+- * * * 2]"
3 41 LYS 9.081 0.862 10 5 "[ - .** + * 2]"
3 42 LEU 11.795 1.659 19 5 "[ * * * - . +2]"
3 43 ASP 28.038 1.873 9 14 "[ **** **+- ** ** **2]"
3 44 LEU 28.867 1.873 9 13 "[ ***. **+- ** ** **2]"
3 45 ASP 2.693 0.381 14 0 "[ . 1 . 2]"
3 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 47 ALA 0.001 0.001 20 0 "[ . 1 . 2]"
3 48 SER 0.001 0.001 20 0 "[ . 1 . 2]"
3 49 SER 3.600 0.481 5 0 "[ . 1 . 2]"
3 50 GLN 3.313 0.501 3 1 "[ + . 1 . 2]"
3 51 LEU 5.340 0.441 10 0 "[ . 1 . 2]"
3 52 ALA 0.004 0.004 20 0 "[ . 1 . 2]"
3 53 ASP 0.004 0.004 20 0 "[ . 1 . 2]"
3 54 ASP 0.035 0.018 10 0 "[ . 1 . 2]"
3 55 VAL 9.751 0.441 10 0 "[ . 1 . 2]"
3 56 TYR 21.011 2.966 2 10 "[ +*** * * . **-*]"
3 57 GLU 6.910 0.501 3 1 "[ + . 1 . 2]"
3 58 VAL 10.536 1.165 14 10 "[**- . * 1 +*****2]"
3 59 VAL 18.143 1.539 14 12 "[*** . ** * +**-**2]"
3 60 LEU 16.616 1.539 14 10 "[**- . * 1 +*****2]"
3 61 ARG 1.803 0.381 14 0 "[ . 1 . 2]"
3 62 VAL 8.167 0.734 20 3 "[ .*- 1 . +]"
3 63 THR 5.279 0.640 18 1 "[ . 1 . + 2]"
3 64 VAL 6.566 0.945 6 4 "[ - .+ * . * 2]"
3 65 THR 3.239 0.615 7 1 "[ . + 1 . 2]"
3 66 ALA 3.239 0.715 6 1 "[ .+ 1 . 2]"
3 67 SER 12.228 1.199 6 13 "[* ***+* *1 ** ***- 2]"
3 68 LEU 9.291 0.719 1 9 "[+ .-* *1 *.** **]"
3 69 GLY 8.318 0.719 1 9 "[+ .-* *1 *.** **]"
3 70 GLU 0.058 0.021 16 0 "[ . 1 . 2]"
3 71 GLU 0.089 0.068 17 0 "[ . 1 . 2]"
3 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 73 ALA 1.241 0.194 16 0 "[ . 1 . 2]"
3 74 PHE 7.281 1.023 1 4 "[+ * * * 1 . 2]"
3 75 LEU 0.002 0.002 19 0 "[ . 1 . 2]"
3 76 CYS 1.856 0.303 3 0 "[ . 1 . 2]"
3 77 GLU 1.533 0.225 19 0 "[ . 1 . 2]"
3 78 VAL 8.194 0.734 20 3 "[ .*- 1 . +]"
3 79 GLN 11.421 0.797 3 3 "[ *+ . 1 - 2]"
3 80 GLN 0.221 0.100 18 0 "[ . 1 . 2]"
3 81 GLY 2.402 0.275 14 0 "[ . 1 . 2]"
3 82 GLY 2.811 0.389 1 0 "[ . 1 . 2]"
3 83 ILE 0.904 0.183 10 0 "[ . 1 . 2]"
3 84 PHE 0.850 0.221 13 0 "[ . 1 . 2]"
3 85 SER 3.222 0.647 12 1 "[ . 1 + . 2]"
3 86 ILE 9.133 0.815 17 5 "[ * . * . +*-2]"
3 87 ALA 1.338 0.455 10 0 "[ . 1 . 2]"
3 88 GLY 9.029 0.874 16 9 "[* * . ***- **.+ 2]"
3 89 ILE 9.618 0.874 16 9 "[* * . ***- **.+ 2]"
3 90 GLU 1.011 0.331 14 0 "[ . 1 . 2]"
3 91 GLY 2.031 0.553 17 1 "[ . 1 . + 2]"
3 92 THR 1.768 0.222 15 0 "[ . 1 . 2]"
3 93 GLN 2.823 0.302 2 0 "[ . 1 . 2]"
3 94 MET 10.593 2.966 2 5 "[ + *- * 1 . *]"
3 95 ALA 3.156 0.553 17 1 "[ . 1 . + 2]"
3 96 HIS 10.784 0.791 3 10 "[**+ -** 1 * . ** *]"
3 97 CYS 0.914 0.206 15 0 "[ . 1 . 2]"
3 98 LEU 18.176 0.960 17 10 "[*** -** 1 * . +* *]"
3 99 GLY 4.696 0.396 15 0 "[ . 1 . 2]"
3 100 ALA 7.531 0.436 8 0 "[ . 1 . 2]"
3 101 TYR 0.105 0.105 8 0 "[ . 1 . 2]"
3 102 CYS 5.202 0.436 8 0 "[ . 1 . 2]"
3 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
3 110 ALA 2.507 0.222 20 0 "[ . 1 . 2]"
3 111 ARG 2.473 0.222 20 0 "[ . 1 . 2]"
3 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
3 113 CYS 0.114 0.044 8 0 "[ . 1 . 2]"
3 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 115 THR 0.011 0.011 9 0 "[ . 1 . 2]"
3 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 117 MET 0.180 0.110 16 0 "[ . 1 . 2]"
3 118 VAL 5.773 0.425 3 0 "[ . 1 . 2]"
3 119 SER 7.292 0.425 3 0 "[ . 1 . 2]"
3 121 GLY 4.940 0.517 18 1 "[ . 1 . + 2]"
3 122 THR 0.623 0.227 13 0 "[ . 1 . 2]"
3 123 PHE 13.284 1.023 1 5 "[+ * * * 1 . - 2]"
3 125 GLN 1.531 0.412 5 0 "[ . 1 . 2]"
3 126 LEU 0.364 0.128 14 0 "[ . 1 . 2]"
3 127 ASN 0.204 0.107 14 0 "[ . 1 . 2]"
3 128 LEU 3.123 0.352 3 0 "[ . 1 . 2]"
3 129 ALA 1.858 0.352 3 0 "[ . 1 . 2]"
3 131 VAL 2.539 0.911 3 3 "[ + . * 1 . - 2]"
3 133 PHE 3.101 0.911 3 3 "[ + . * 1 . - 2]"
3 134 ASP 0.723 0.248 6 0 "[ . 1 . 2]"
3 135 ALA 0.747 0.226 10 0 "[ . 1 . 2]"
3 136 LEU 0.512 0.168 18 0 "[ . 1 . 2]"
3 137 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
3 138 MET 0.829 0.226 10 0 "[ . 1 . 2]"
3 139 ASN 0.340 0.168 18 0 "[ . 1 . 2]"
3 140 TYR 8.174 1.560 6 2 "[ .+ 1 . - 2]"
3 141 LEU 8.174 1.560 6 2 "[ .+ 1 . - 2]"
4 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
4 10 THR 2.088 0.442 20 0 "[ . 1 . 2]"
4 11 PHE 3.761 0.371 12 0 "[ . 1 . 2]"
4 12 GLN 5.776 0.404 20 0 "[ . 1 . 2]"
4 13 ILE 0.081 0.064 19 0 "[ . 1 . 2]"
4 14 GLN 7.456 0.600 10 4 "[* - + * . 2]"
4 15 ARG 0.769 0.176 9 0 "[ . 1 . 2]"
4 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 17 TYR 2.399 0.232 16 0 "[ . 1 . 2]"
4 18 THR 0.912 0.234 13 0 "[ . 1 . 2]"
4 19 LYS 22.657 1.362 16 20 [*********-*****+****]
4 20 ASP 12.498 0.913 16 13 "[** . *-*1** *+****]"
4 21 ILE 2.791 0.686 1 1 "[+ . 1 . 2]"
4 22 SER 0.377 0.118 7 0 "[ . 1 . 2]"
4 23 PHE 21.717 0.741 19 11 "[ ** * * ** **.- *+2]"
4 24 GLU 20.408 0.741 19 11 "[ ** * * ** **.- *+2]"
4 25 ALA 0.359 0.153 13 0 "[ . 1 . 2]"
4 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 28 ALA 8.530 0.766 16 2 "[ . 1 .+ -2]"
4 30 HIS 5.504 0.766 16 2 "[ . 1 .+ -2]"
4 31 VAL 20.925 1.580 16 11 "[ ***.* * ***-+ * 2]"
4 32 PHE 1.106 0.233 16 0 "[ . 1 . 2]"
4 33 GLN 13.783 1.483 14 10 "[ ***. * **+-* * 2]"
4 34 LYS 9.496 0.947 16 10 "[ ***. * ***-+ * 2]"
4 35 ASP 84.012 2.755 15 16 "[ ***** * * ***+-****]"
4 36 TRP 68.972 2.755 15 16 "[ ***** * * ***+-****]"
4 37 GLN 4.364 1.255 19 3 "[ .* 1 . - +2]"
4 39 GLU 45.151 2.283 12 20 [****-******+********]
4 40 VAL 0.128 0.058 6 0 "[ . 1 . 2]"
4 41 LYS 0.070 0.024 10 0 "[ . 1 . 2]"
4 42 LEU 1.359 0.497 9 0 "[ . 1 . 2]"
4 43 ASP 7.275 0.650 15 3 "[ . *1 -+ 2]"
4 44 LEU 10.577 0.905 9 4 "[ * . +1 -* 2]"
4 45 ASP 3.462 1.227 3 3 "[ +-. 1 * . 2]"
4 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 47 ALA 0.004 0.003 17 0 "[ . 1 . 2]"
4 48 SER 0.010 0.006 1 0 "[ . 1 . 2]"
4 49 SER 2.159 0.348 3 0 "[ . 1 . 2]"
4 50 GLN 1.703 0.180 6 0 "[ . 1 . 2]"
4 51 LEU 4.132 0.290 14 0 "[ . 1 . 2]"
4 52 ALA 4.012 0.290 14 0 "[ . 1 . 2]"
4 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 54 ASP 0.182 0.084 20 0 "[ . 1 . 2]"
4 55 VAL 6.278 0.404 3 0 "[ . 1 . 2]"
4 56 TYR 5.976 0.404 3 0 "[ . 1 . 2]"
4 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 58 VAL 1.635 0.643 4 2 "[ +. 1 . - 2]"
4 59 VAL 0.462 0.348 3 0 "[ . 1 . 2]"
4 60 LEU 4.525 1.227 3 3 "[ +-. 1 * . 2]"
4 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
4 62 VAL 0.896 0.449 12 0 "[ . 1 . 2]"
4 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 64 VAL 0.786 0.142 3 0 "[ . 1 . 2]"
4 65 THR 0.533 0.142 3 0 "[ . 1 . 2]"
4 66 ALA 7.947 0.901 6 6 "[ -+ * 1 *. * *2]"
4 67 SER 31.579 2.283 12 20 [***********+*******-]
4 68 LEU 37.947 2.352 12 12 "[ **** * +**-*** 2]"
4 69 GLY 1.403 0.236 7 0 "[ . 1 . 2]"
4 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 71 GLU 5.314 0.509 15 1 "[ . 1 + 2]"
4 72 THR 2.400 0.663 6 2 "[ .+ 1 - 2]"
4 73 ALA 8.029 2.142 15 3 "[ * 1 + * 2]"
4 74 PHE 1.940 0.165 2 0 "[ . 1 . 2]"
4 75 LEU 4.448 0.651 2 1 "[ + . 1 . 2]"
4 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
4 77 GLU 0.320 0.118 7 0 "[ . 1 . 2]"
4 78 VAL 0.130 0.073 20 0 "[ . 1 . 2]"
4 79 GLN 30.895 1.362 16 20 [*******-*******+****]
4 80 GLN 4.025 0.263 16 0 "[ . 1 . 2]"
4 81 GLY 1.577 0.232 16 0 "[ . 1 . 2]"
4 82 GLY 0.170 0.150 16 0 "[ . 1 . 2]"
4 83 ILE 7.042 0.600 10 4 "[* - + * . 2]"
4 84 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
4 85 SER 1.935 0.404 20 0 "[ . 1 . 2]"
4 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 87 ALA 21.852 1.404 12 20 [-**********+********]
4 88 GLY 2.801 0.207 5 0 "[ . 1 . 2]"
4 89 ILE 20.535 1.404 12 20 [-**********+********]
4 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 91 GLY 1.257 0.457 17 0 "[ . 1 . 2]"
4 92 THR 4.426 0.414 10 0 "[ . 1 . 2]"
4 93 GLN 3.016 0.414 10 0 "[ . 1 . 2]"
4 94 MET 49.060 2.196 10 19 "[******-**+ *********]"
4 95 ALA 30.717 2.196 10 12 "[* ** -**+ *** **2]"
4 96 HIS 4.233 0.423 10 0 "[ . 1 . 2]"
4 97 CYS 0.383 0.148 14 0 "[ . 1 . 2]"
4 98 LEU 20.699 1.912 16 10 "[ ***.* * ** .+- *]"
4 99 GLY 1.864 0.345 1 0 "[ . 1 . 2]"
4 100 ALA 7.929 0.630 1 2 "[+ .- 1 . 2]"
4 101 TYR 0.591 0.179 20 0 "[ . 1 . 2]"
4 102 CYS 8.223 0.630 1 2 "[+ .- 1 . 2]"
4 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 109 TYR 0.035 0.035 11 0 "[ . 1 . 2]"
4 110 ALA 3.269 0.228 6 0 "[ . 1 . 2]"
4 111 ARG 3.304 0.228 6 0 "[ . 1 . 2]"
4 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 113 CYS 3.129 0.223 14 0 "[ . 1 . 2]"
4 114 ILE 0.600 0.126 19 0 "[ . 1 . 2]"
4 115 THR 0.510 0.206 13 0 "[ . 1 . 2]"
4 116 SER 3.902 0.223 14 0 "[ . 1 . 2]"
4 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
4 118 VAL 3.973 0.583 9 3 "[ . +1 * . -2]"
4 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 121 GLY 0.272 0.112 11 0 "[ . 1 . 2]"
4 122 THR 0.010 0.010 16 0 "[ . 1 . 2]"
4 123 PHE 0.443 0.112 11 0 "[ . 1 . 2]"
4 125 GLN 3.046 0.583 9 3 "[ . +1 * . -2]"
4 126 LEU 2.307 0.903 17 1 "[ . 1 . + 2]"
4 127 ASN 0.476 0.244 20 0 "[ . 1 . 2]"
4 128 LEU 4.406 0.903 17 3 "[ - 1 * . + 2]"
4 129 ALA 0.834 0.257 16 0 "[ . 1 . 2]"
4 131 VAL 8.806 0.844 9 8 "[* * *+1 ** - * 2]"
4 133 PHE 11.046 0.905 9 7 "[* * . *+1 * - * 2]"
4 134 ASP 0.928 0.351 20 0 "[ . 1 . 2]"
4 135 ALA 1.753 0.264 2 0 "[ . 1 . 2]"
4 136 LEU 3.565 0.498 12 0 "[ . 1 . 2]"
4 137 PHE 1.210 0.322 15 0 "[ . 1 . 2]"
4 138 MET 2.738 0.498 12 0 "[ . 1 . 2]"
4 139 ASN 0.138 0.137 1 0 "[ . 1 . 2]"
4 140 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
4 141 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 MET H 1 10 THR H 3.320 . 4.840 4.428 4.008 4.646 . 0 0 "[ . 1 . 2]" 1
2 1 10 THR H 1 11 PHE H 3.140 . 4.480 4.211 3.985 4.315 . 0 0 "[ . 1 . 2]" 1
3 1 10 THR H 1 87 ALA H 2.370 . 2.940 2.880 2.592 3.337 0.397 15 0 "[ . 1 . 2]" 1
4 1 11 PHE H 1 12 GLN H 3.170 . 4.540 4.210 4.104 4.366 . 0 0 "[ . 1 . 2]" 1
5 1 11 PHE QD 1 12 GLN H 2.640 . 3.480 2.705 1.841 3.529 0.049 11 0 "[ . 1 . 2]" 1
6 1 11 PHE QD 1 101 TYR QE 3.450 . 5.100 2.730 2.539 3.188 . 0 0 "[ . 1 . 2]" 1
7 1 11 PHE QE 1 12 GLN H 3.260 . 4.720 4.185 3.769 4.485 . 0 0 "[ . 1 . 2]" 1
8 1 11 PHE QE 1 84 PHE QD 3.050 . 4.300 2.583 2.087 3.269 . 0 0 "[ . 1 . 2]" 1
9 1 11 PHE QE 1 84 PHE QE 3.350 . 4.900 4.089 3.561 4.476 . 0 0 "[ . 1 . 2]" 1
10 1 11 PHE QE 1 101 TYR QD 3.280 . 4.760 3.938 2.780 4.094 . 0 0 "[ . 1 . 2]" 1
11 1 11 PHE QE 1 101 TYR QE 3.340 . 4.880 2.520 2.117 3.165 . 0 0 "[ . 1 . 2]" 1
12 1 12 GLN H 1 13 ILE H 2.970 . 4.140 3.949 3.801 4.166 0.026 12 0 "[ . 1 . 2]" 1
13 1 12 GLN H 1 85 SER H 2.660 . 3.520 3.096 2.553 3.557 0.037 10 0 "[ . 1 . 2]" 1
14 1 13 ILE H 1 14 GLN H 3.300 . 4.800 4.486 4.351 4.552 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLN H 1 15 ARG H 2.080 . 2.360 2.274 2.058 2.473 0.113 13 0 "[ . 1 . 2]" 1
16 1 14 GLN H 1 83 ILE H 3.220 . 4.640 4.707 4.198 5.051 0.411 16 0 "[ . 1 . 2]" 1
17 1 14 GLN H 1 84 PHE H 3.420 . 5.040 4.729 4.306 5.042 0.002 14 0 "[ . 1 . 2]" 1
18 1 14 GLN H 1 84 PHE QD 3.460 . 5.120 4.282 3.645 4.988 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLN H 1 85 SER H 2.890 . 3.990 3.842 3.205 4.346 0.356 8 0 "[ . 1 . 2]" 1
20 1 15 ARG H 1 16 ILE H 3.150 . 4.500 4.114 3.918 4.273 . 0 0 "[ . 1 . 2]" 1
21 1 15 ARG H 1 83 ILE H 2.530 . 3.260 3.461 3.130 3.691 0.431 16 0 "[ . 1 . 2]" 1
22 1 16 ILE H 1 17 TYR H 3.200 . 4.600 4.418 4.188 4.568 . 0 0 "[ . 1 . 2]" 1
23 1 17 TYR H 1 18 THR H 3.180 . 4.560 4.294 4.179 4.370 . 0 0 "[ . 1 . 2]" 1
24 1 17 TYR H 1 81 GLY H 2.900 . 4.000 3.988 3.811 4.216 0.216 2 0 "[ . 1 . 2]" 1
25 1 17 TYR H 1 82 GLY H 3.510 . 5.220 5.043 4.802 5.313 0.093 2 0 "[ . 1 . 2]" 1
26 1 17 TYR QD 1 18 THR H 3.040 . 4.280 3.793 3.163 4.333 0.053 3 0 "[ . 1 . 2]" 1
27 1 17 TYR QE 2 28 ALA MB 3.170 . 4.540 1.875 1.680 2.624 0.120 3 0 "[ . 1 . 2]" 1
28 1 18 THR H 1 19 LYS H 3.270 . 4.740 4.365 4.246 4.460 . 0 0 "[ . 1 . 2]" 1
29 1 18 THR H 1 81 GLY H 3.480 . 5.160 4.877 4.729 5.009 . 0 0 "[ . 1 . 2]" 1
30 1 18 THR H 2 121 GLY H 3.280 . 4.760 4.434 4.043 4.660 . 0 0 "[ . 1 . 2]" 1
31 1 18 THR H 2 122 THR H 3.350 . 4.900 4.754 4.485 5.032 0.132 12 0 "[ . 1 . 2]" 1
32 1 19 LYS H 1 20 ASP H 2.030 . 2.260 2.329 2.208 2.458 0.198 12 0 "[ . 1 . 2]" 1
33 1 19 LYS H 1 59 VAL MG1 3.420 . 5.040 4.194 3.900 4.394 . 0 0 "[ . 1 . 2]" 1
34 1 19 LYS H 1 79 GLN H 2.870 . 3.940 4.846 4.619 5.061 1.121 12 20 [***********+***-****] 1
35 1 19 LYS H 1 80 GLN H 3.340 . 4.880 5.080 4.942 5.222 0.342 5 0 "[ . 1 . 2]" 1
36 1 19 LYS H 1 81 GLY H 2.490 . 3.180 2.630 2.374 2.956 . 0 0 "[ . 1 . 2]" 1
37 1 20 ASP H 1 21 ILE H 3.160 . 4.520 4.214 4.171 4.258 . 0 0 "[ . 1 . 2]" 1
38 1 20 ASP H 1 78 VAL MG1 3.500 . 5.200 4.444 4.100 4.845 . 0 0 "[ . 1 . 2]" 1
39 1 20 ASP H 1 79 GLN H 2.340 . 2.880 3.415 3.266 3.640 0.760 6 11 "[*** *+ - 1****. *2]" 1
40 1 21 ILE H 1 22 SER H 2.970 . 4.140 4.269 4.193 4.377 0.237 2 0 "[ . 1 . 2]" 1
41 1 21 ILE H 2 23 PHE H 2.920 . 4.040 2.839 2.701 2.996 . 0 0 "[ . 1 . 2]" 1
42 1 21 ILE H 2 23 PHE QD 3.490 . 5.180 3.725 3.312 4.086 . 0 0 "[ . 1 . 2]" 1
43 1 21 ILE H 2 24 GLU H 3.480 . 5.160 4.969 4.768 5.075 . 0 0 "[ . 1 . 2]" 1
44 1 21 ILE H 2 25 ALA H 3.510 . 5.220 5.412 5.027 5.980 0.760 17 5 "[ ** 1* . +- 2]" 1
45 1 22 SER H 1 23 PHE H 3.220 . 4.640 4.064 3.817 4.196 . 0 0 "[ . 1 . 2]" 1
46 1 22 SER H 1 77 GLU H 2.710 . 3.620 3.244 2.841 3.569 . 0 0 "[ . 1 . 2]" 1
47 1 22 SER H 1 78 VAL MG2 3.300 . 4.800 3.165 2.930 3.333 . 0 0 "[ . 1 . 2]" 1
48 1 22 SER H 1 117 MET ME 3.170 . 4.540 3.228 2.905 3.485 . 0 0 "[ . 1 . 2]" 1
49 1 23 PHE H 1 24 GLU H 3.170 . 4.540 4.167 3.815 4.403 . 0 0 "[ . 1 . 2]" 1
50 1 23 PHE H 2 21 ILE H 2.270 . 2.740 2.704 2.438 3.030 0.290 20 0 "[ . 1 . 2]" 1
51 1 23 PHE QD 1 24 GLU H 2.600 . 3.400 3.705 3.280 4.113 0.713 14 4 "[ * 1 +- * 2]" 1
52 1 23 PHE QD 2 21 ILE H 3.120 . 4.440 3.501 2.885 3.999 . 0 0 "[ . 1 . 2]" 1
53 1 23 PHE QE 1 24 GLU H 3.190 . 4.580 4.731 4.247 5.296 0.716 14 1 "[ . 1 +. 2]" 1
54 1 23 PHE QE 1 25 ALA MB 2.940 . 4.080 2.873 2.467 3.079 . 0 0 "[ . 1 . 2]" 1
55 1 23 PHE QE 1 74 PHE QD 3.280 . 4.760 2.921 2.609 3.301 . 0 0 "[ . 1 . 2]" 1
56 1 23 PHE QE 1 121 GLY H 3.210 . 4.620 4.077 3.808 4.359 . 0 0 "[ . 1 . 2]" 1
57 1 24 GLU H 1 25 ALA H 3.170 . 4.540 4.197 3.982 4.366 . 0 0 "[ . 1 . 2]" 1
58 1 24 GLU H 1 75 LEU H 2.340 . 2.880 2.687 2.484 2.915 0.035 14 0 "[ . 1 . 2]" 1
59 1 25 ALA MB 1 28 ALA H 3.450 . 5.100 3.380 3.142 3.651 . 0 0 "[ . 1 . 2]" 1
60 1 25 ALA MB 1 28 ALA MB 3.090 . 4.380 1.931 1.704 2.179 0.096 2 0 "[ . 1 . 2]" 1
61 1 27 ASN H 1 28 ALA H 2.610 . 3.420 2.698 2.426 3.143 . 0 0 "[ . 1 . 2]" 1
62 1 28 ALA H 1 30 HIS H 2.860 . 3.920 4.324 4.077 4.788 0.868 5 2 "[ + 1 . - 2]" 1
63 1 28 ALA H 1 31 VAL H 3.320 . 4.840 4.821 4.707 4.917 0.077 6 0 "[ . 1 . 2]" 1
64 1 28 ALA MB 1 30 HIS H 3.470 . 5.140 4.386 4.244 4.705 . 0 0 "[ . 1 . 2]" 1
65 1 28 ALA MB 1 32 PHE QE 3.420 . 5.040 2.953 2.561 3.137 . 0 0 "[ . 1 . 2]" 1
66 1 28 ALA MB 2 17 TYR QD 3.470 . 5.140 2.981 2.528 3.328 . 0 0 "[ . 1 . 2]" 1
67 1 28 ALA MB 2 17 TYR QE 3.040 . 4.280 1.901 1.673 2.452 0.127 17 0 "[ . 1 . 2]" 1
68 1 30 HIS H 1 31 VAL H 2.180 . 2.560 2.322 2.145 2.481 . 0 0 "[ . 1 . 2]" 1
69 1 30 HIS H 1 32 PHE H 2.860 . 3.920 4.021 3.836 4.292 0.372 5 0 "[ . 1 . 2]" 1
70 1 30 HIS H 1 33 GLN H 3.480 . 5.160 5.515 5.304 5.748 0.588 9 4 "[ -* +* . 2]" 1
71 1 31 VAL H 1 32 PHE H 2.320 . 2.840 2.453 2.364 2.633 . 0 0 "[ . 1 . 2]" 1
72 1 31 VAL H 1 33 GLN H 3.200 . 4.600 4.209 3.950 4.493 . 0 0 "[ . 1 . 2]" 1
73 1 31 VAL H 1 34 LYS H 3.370 . 4.940 5.160 4.844 5.452 0.512 5 1 "[ + 1 . 2]" 1
74 1 31 VAL QG 1 32 PHE H 2.550 . 3.300 2.676 2.543 2.833 . 0 0 "[ . 1 . 2]" 1
75 1 31 VAL QG 1 32 PHE QD 2.910 . 4.020 3.021 2.556 3.327 . 0 0 "[ . 1 . 2]" 1
76 1 31 VAL QG 1 32 PHE QE 2.970 . 4.140 3.368 2.931 3.750 . 0 0 "[ . 1 . 2]" 1
77 1 31 VAL QG 1 36 TRP HZ3 3.390 . 4.980 4.662 2.849 8.752 3.772 6 4 "[ * .+ * - . 2]" 1
78 1 31 VAL QG 1 68 LEU QD 2.650 . 3.500 2.026 1.742 2.579 0.058 13 0 "[ . 1 . 2]" 1
79 1 31 VAL QG 1 73 ALA MB 2.710 . 3.620 2.330 2.065 2.768 . 0 0 "[ . 1 . 2]" 1
80 1 31 VAL QG 1 123 PHE QE 2.680 . 3.560 2.741 1.973 4.424 0.864 20 1 "[ . 1 . +]" 1
81 1 32 PHE H 1 33 GLN H 2.210 . 2.620 2.638 2.463 2.816 0.196 13 0 "[ . 1 . 2]" 1
82 1 32 PHE H 1 34 LYS H 2.900 . 4.000 4.046 3.739 4.217 0.217 7 0 "[ . 1 . 2]" 1
83 1 32 PHE QD 1 33 GLN H 3.220 . 4.640 4.739 4.609 4.876 0.236 5 0 "[ . 1 . 2]" 1
84 1 32 PHE QE 2 17 TYR QD 3.430 . 5.060 3.455 2.912 3.770 . 0 0 "[ . 1 . 2]" 1
85 1 32 PHE QE 2 17 TYR QE 3.410 . 5.020 3.137 2.925 3.481 . 0 0 "[ . 1 . 2]" 1
86 1 33 GLN H 1 34 LYS H 2.150 . 2.500 2.279 2.176 2.413 . 0 0 "[ . 1 . 2]" 1
87 1 34 LYS H 1 35 ASP H 3.320 . 4.840 4.611 4.568 4.662 . 0 0 "[ . 1 . 2]" 1
88 1 35 ASP H 1 36 TRP H 3.340 . 4.880 4.610 4.473 4.651 . 0 0 "[ . 1 . 2]" 1
89 1 36 TRP H 1 37 GLN H 2.990 . 4.180 3.777 3.509 4.123 . 0 0 "[ . 1 . 2]" 1
90 1 36 TRP HE3 1 37 GLN H 3.420 . 5.040 4.800 3.913 7.044 2.004 6 4 "[ * .+ * - . 2]" 1
91 1 36 TRP HE3 1 68 LEU QD 3.500 . 5.200 3.267 1.875 5.881 0.681 13 1 "[ . 1 + . 2]" 1
92 1 37 GLN H 1 68 LEU QD 2.140 . 2.480 2.982 2.417 3.325 0.845 3 13 "[* + *****1- **. ***]" 1
93 1 39 GLU H 1 40 VAL H 2.780 . 3.760 4.081 3.850 4.409 0.649 7 1 "[ . + 1 . 2]" 1
94 1 39 GLU H 1 66 ALA MB 2.910 . 4.020 4.462 3.836 4.932 0.912 16 9 "[ * .*-**1 **.+* 2]" 1
95 1 39 GLU H 1 67 SER H 2.330 . 2.860 2.678 2.106 3.236 0.376 16 0 "[ . 1 . 2]" 1
96 1 40 VAL H 1 41 LYS H 3.250 . 4.700 4.291 4.081 4.562 . 0 0 "[ . 1 . 2]" 1
97 1 40 VAL QG 1 41 LYS H 2.800 . 3.800 3.136 2.417 3.685 . 0 0 "[ . 1 . 2]" 1
98 1 40 VAL QG 1 64 VAL MG1 2.990 . 4.180 2.309 1.688 3.363 0.112 19 0 "[ . 1 . 2]" 1
99 1 40 VAL QG 1 66 ALA MB 3.490 . 5.180 2.452 1.847 3.300 . 0 0 "[ . 1 . 2]" 1
100 1 40 VAL QG 1 126 LEU MD1 2.930 . 4.060 2.937 2.014 3.606 . 0 0 "[ . 1 . 2]" 1
101 1 40 VAL QG 1 126 LEU MD2 3.400 . 5.000 3.092 2.040 4.181 . 0 0 "[ . 1 . 2]" 1
102 1 40 VAL QG 1 128 LEU QD 3.140 . 4.480 3.877 2.903 5.115 0.635 12 1 "[ . 1 + . 2]" 1
103 1 41 LYS H 1 42 LEU H 3.270 . 4.740 4.440 4.181 4.610 . 0 0 "[ . 1 . 2]" 1
104 1 41 LYS H 1 64 VAL MG1 2.990 . 4.180 4.299 3.298 5.027 0.847 13 6 "[- * * 1 +** 2]" 1
105 1 41 LYS H 1 65 THR H 2.620 . 3.440 3.190 2.504 3.838 0.398 5 0 "[ . 1 . 2]" 1
106 1 42 LEU H 1 43 ASP H 3.140 . 4.480 4.254 3.955 4.524 0.044 1 0 "[ . 1 . 2]" 1
107 1 42 LEU QD 1 43 ASP H 3.070 . 4.340 3.042 2.184 4.416 0.076 13 0 "[ . 1 . 2]" 1
108 1 42 LEU QD 1 44 LEU H 3.130 . 4.460 4.343 3.162 6.421 1.961 13 5 "[- * . * 1 + . * 2]" 1
109 1 42 LEU QD 1 44 LEU QD 2.790 . 3.780 3.061 1.968 5.064 1.284 13 3 "[ . * 1 + . - 2]" 1
110 1 42 LEU QD 1 128 LEU QD 2.640 . 3.480 1.968 1.724 3.380 0.076 4 0 "[ . 1 . 2]" 1
111 1 43 ASP H 1 44 LEU H 2.970 . 4.140 4.380 4.107 4.534 0.394 17 0 "[ . 1 . 2]" 1
112 1 43 ASP H 1 63 THR H 3.010 . 4.220 3.362 2.947 3.806 . 0 0 "[ . 1 . 2]" 1
113 1 43 ASP H 1 65 THR H 3.300 . 4.800 4.684 4.018 5.370 0.570 19 1 "[ . 1 . +2]" 1
114 1 44 LEU H 1 45 ASP H 3.230 . 4.660 4.291 4.126 4.562 . 0 0 "[ . 1 . 2]" 1
115 1 44 LEU H 1 63 THR H 3.290 . 4.780 5.019 4.727 5.529 0.749 7 1 "[ . + 1 . 2]" 1
116 1 44 LEU QD 1 45 ASP H 3.060 . 4.320 3.122 2.261 4.496 0.176 2 0 "[ . 1 . 2]" 1
117 1 44 LEU QD 1 46 THR H 3.300 . 4.800 4.973 3.747 6.499 1.699 2 8 "[ +**. * 1 -** *2]" 1
118 1 44 LEU QD 1 60 LEU QD 3.260 . 4.720 2.516 1.579 4.273 0.221 6 0 "[ . 1 . 2]" 1
119 1 44 LEU QD 1 62 VAL MG1 3.240 . 4.680 3.604 2.297 5.334 0.654 7 1 "[ . + 1 . 2]" 1
120 1 44 LEU QD 1 62 VAL MG2 3.250 . 4.700 3.371 2.119 5.217 0.517 12 1 "[ . 1 + . 2]" 1
121 1 45 ASP H 1 46 THR H 3.150 . 4.500 4.353 4.254 4.454 . 0 0 "[ . 1 . 2]" 1
122 1 45 ASP H 1 61 ARG H 2.700 . 3.600 3.629 2.925 4.189 0.589 14 2 "[ . - 1 +. 2]" 1
123 1 45 ASP H 1 62 VAL H 3.460 . 5.120 5.080 4.720 5.514 0.394 7 0 "[ . 1 . 2]" 1
124 1 45 ASP H 1 63 THR H 3.280 . 4.760 4.732 3.975 5.222 0.462 18 0 "[ . 1 . 2]" 1
125 1 46 THR H 1 47 ALA H 3.280 . 4.760 4.385 4.210 4.517 . 0 0 "[ . 1 . 2]" 1
126 1 47 ALA H 1 48 SER H 3.110 . 4.410 4.198 3.773 4.418 0.008 7 0 "[ . 1 . 2]" 1
127 1 47 ALA H 1 58 VAL QG 2.790 . 3.780 3.637 3.137 4.292 0.512 6 1 "[ .+ 1 . 2]" 1
128 1 47 ALA H 1 59 VAL H 2.750 . 3.700 3.434 2.883 3.948 0.248 6 0 "[ . 1 . 2]" 1
129 1 47 ALA H 1 60 LEU QD 3.230 . 4.660 3.807 2.874 4.891 0.231 9 0 "[ . 1 . 2]" 1
130 1 47 ALA H 1 61 ARG H 3.430 . 5.060 4.714 4.255 5.158 0.098 18 0 "[ . 1 . 2]" 1
131 1 47 ALA MB 1 48 SER H 2.760 . 3.720 3.060 2.689 3.474 . 0 0 "[ . 1 . 2]" 1
132 1 48 SER H 1 49 SER H 3.270 . 4.740 4.483 4.420 4.583 . 0 0 "[ . 1 . 2]" 1
133 1 49 SER H 1 50 GLN H 3.190 . 4.580 4.239 3.943 4.360 . 0 0 "[ . 1 . 2]" 1
134 1 49 SER H 1 57 GLU H 2.650 . 3.500 3.147 2.644 3.495 . 0 0 "[ . 1 . 2]" 1
135 1 49 SER H 1 58 VAL H 3.360 . 4.920 5.128 4.959 5.264 0.344 9 0 "[ . 1 . 2]" 1
136 1 49 SER H 1 58 VAL QG 3.030 . 4.260 3.959 3.366 4.354 0.094 10 0 "[ . 1 . 2]" 1
137 1 50 GLN H 1 51 LEU H 3.130 . 4.460 4.364 4.157 4.587 0.127 19 0 "[ . 1 . 2]" 1
138 1 50 GLN H 1 57 GLU H 3.340 . 4.880 4.842 4.557 5.112 0.232 15 0 "[ . 1 . 2]" 1
139 1 51 LEU H 1 52 ALA H 2.130 . 2.460 2.237 1.955 2.443 . 0 0 "[ . 1 . 2]" 1
140 1 51 LEU H 1 55 VAL H 3.360 . 4.920 4.872 4.246 5.243 0.323 10 0 "[ . 1 . 2]" 1
141 1 51 LEU H 1 55 VAL MG1 3.210 . 4.620 3.446 3.028 3.922 . 0 0 "[ . 1 . 2]" 1
142 1 51 LEU H 1 56 TYR H 3.410 . 5.020 4.686 4.392 5.070 0.050 10 0 "[ . 1 . 2]" 1
143 1 51 LEU H 1 57 GLU H 2.670 . 3.540 3.775 3.296 4.159 0.619 19 4 "[ . *1 -. *+2]" 1
144 1 51 LEU MD1 1 55 VAL MG1 2.920 . 4.040 2.370 1.809 2.745 . 0 0 "[ . 1 . 2]" 1
145 1 51 LEU MD1 1 57 GLU H 3.220 . 4.640 3.947 3.384 4.549 . 0 0 "[ . 1 . 2]" 1
146 1 52 ALA H 1 53 ASP H 3.180 . 4.560 4.363 4.330 4.400 . 0 0 "[ . 1 . 2]" 1
147 1 52 ALA H 1 55 VAL H 2.750 . 3.700 3.527 3.284 3.818 0.118 10 0 "[ . 1 . 2]" 1
148 1 52 ALA H 1 55 VAL MG1 2.940 . 4.080 3.304 3.082 3.803 . 0 0 "[ . 1 . 2]" 1
149 1 52 ALA H 1 55 VAL MG2 3.360 . 4.920 4.053 3.634 4.718 . 0 0 "[ . 1 . 2]" 1
150 1 52 ALA MB 1 53 ASP H 2.340 . 2.880 2.122 1.997 2.432 . 0 0 "[ . 1 . 2]" 1
151 1 52 ALA MB 1 55 VAL MG1 3.500 . 5.200 3.018 2.795 3.254 . 0 0 "[ . 1 . 2]" 1
152 1 52 ALA MB 1 55 VAL MG2 3.210 . 4.620 2.242 1.887 2.751 . 0 0 "[ . 1 . 2]" 1
153 1 53 ASP H 1 54 ASP H 3.260 . 4.720 4.500 4.335 4.602 . 0 0 "[ . 1 . 2]" 1
154 1 53 ASP H 1 55 VAL H 3.370 . 4.940 4.140 3.974 4.435 . 0 0 "[ . 1 . 2]" 1
155 1 54 ASP H 1 55 VAL H 2.320 . 2.840 2.811 2.595 2.943 0.103 9 0 "[ . 1 . 2]" 1
156 1 55 VAL H 1 56 TYR H 2.830 . 3.860 4.196 3.980 4.352 0.492 20 0 "[ . 1 . 2]" 1
157 1 55 VAL H 1 56 TYR QD 3.120 . 4.440 4.200 3.226 5.626 1.186 13 3 "[ * . - 1 + . 2]" 1
158 1 55 VAL H 1 56 TYR QE 3.050 . 4.300 4.539 3.233 7.594 3.294 2 3 "[ + . - 1 * . 2]" 1
159 1 55 VAL MG1 1 56 TYR H 3.150 . 4.500 3.054 2.920 3.275 . 0 0 "[ . 1 . 2]" 1
160 1 56 TYR H 1 57 GLU H 3.220 . 4.640 4.315 4.171 4.451 . 0 0 "[ . 1 . 2]" 1
161 1 56 TYR H 1 84 PHE H 2.970 . 4.140 3.561 3.135 3.941 . 0 0 "[ . 1 . 2]" 1
162 1 56 TYR H 1 86 ILE H 2.920 . 4.040 3.494 2.243 4.552 0.512 7 1 "[ . + 1 . 2]" 1
163 1 56 TYR QD 1 57 GLU H 3.450 . 5.100 3.980 3.086 4.515 . 0 0 "[ . 1 . 2]" 1
164 1 57 GLU H 1 58 VAL H 3.180 . 4.560 4.384 4.135 4.539 . 0 0 "[ . 1 . 2]" 1
165 1 57 GLU H 1 84 PHE H 3.440 . 5.080 4.672 4.359 5.089 0.009 7 0 "[ . 1 . 2]" 1
166 1 58 VAL H 1 59 VAL H 3.280 . 4.760 4.275 4.125 4.391 . 0 0 "[ . 1 . 2]" 1
167 1 58 VAL H 1 82 GLY H 2.650 . 3.500 3.156 2.814 3.511 0.011 15 0 "[ . 1 . 2]" 1
168 1 58 VAL H 1 84 PHE H 2.930 . 4.060 4.179 3.697 4.877 0.817 7 2 "[ - . + 1 . 2]" 1
169 1 58 VAL H 1 84 PHE QD 3.300 . 4.800 2.969 2.239 3.663 . 0 0 "[ . 1 . 2]" 1
170 1 58 VAL H 1 84 PHE QE 3.440 . 5.080 2.947 1.942 3.844 . 0 0 "[ . 1 . 2]" 1
171 1 58 VAL QG 1 59 VAL H 2.400 . 3.000 2.803 2.540 3.145 0.145 6 0 "[ . 1 . 2]" 1
172 1 58 VAL QG 1 60 LEU QD 2.910 . 4.020 2.759 1.848 4.227 0.207 9 0 "[ . 1 . 2]" 1
173 1 58 VAL QG 1 98 LEU QD . . 2.860 2.054 1.685 3.303 0.443 2 0 "[ . 1 . 2]" 1
174 1 59 VAL H 1 60 LEU H 3.140 . 4.480 4.392 4.253 4.482 0.002 15 0 "[ . 1 . 2]" 1
175 1 59 VAL MG1 1 60 LEU H 2.760 . 3.720 2.611 2.473 2.757 . 0 0 "[ . 1 . 2]" 1
176 1 59 VAL MG1 1 61 ARG H 3.450 . 5.100 3.394 3.077 3.683 . 0 0 "[ . 1 . 2]" 1
177 1 59 VAL MG1 1 80 GLN H 3.400 . 5.000 3.548 3.376 3.671 . 0 0 "[ . 1 . 2]" 1
178 1 59 VAL MG1 1 81 GLY H 3.190 . 4.580 3.520 3.257 3.757 . 0 0 "[ . 1 . 2]" 1
179 1 60 LEU H 1 61 ARG H 3.090 . 4.380 4.013 3.913 4.140 . 0 0 "[ . 1 . 2]" 1
180 1 60 LEU H 1 80 GLN H 2.930 . 4.060 3.573 3.362 3.961 . 0 0 "[ . 1 . 2]" 1
181 1 60 LEU H 1 81 GLY H 3.300 . 4.800 4.702 4.468 5.027 0.227 19 0 "[ . 1 . 2]" 1
182 1 60 LEU H 1 82 GLY H 3.440 . 5.080 5.090 4.607 5.766 0.686 4 2 "[- +. 1 . 2]" 1
183 1 60 LEU QD 1 61 ARG H 3.030 . 4.260 3.242 2.667 3.962 . 0 0 "[ . 1 . 2]" 1
184 1 60 LEU QD 1 62 VAL MG2 2.830 . 3.860 2.956 1.819 4.489 0.629 4 2 "[ +. 1 - . 2]" 1
185 1 61 ARG H 1 62 VAL H 3.140 . 4.480 4.257 4.162 4.466 . 0 0 "[ . 1 . 2]" 1
186 1 62 VAL H 1 63 THR H 3.100 . 4.400 4.420 4.279 4.551 0.151 16 0 "[ . 1 . 2]" 1
187 1 62 VAL H 1 78 VAL H 2.710 . 3.620 3.201 2.799 3.367 . 0 0 "[ . 1 . 2]" 1
188 1 62 VAL H 1 80 GLN H 3.080 . 4.360 3.805 3.597 4.226 . 0 0 "[ . 1 . 2]" 1
189 1 62 VAL MG1 1 63 THR H 2.960 . 4.120 2.664 2.274 2.930 . 0 0 "[ . 1 . 2]" 1
190 1 62 VAL MG1 1 64 VAL MG2 3.120 . 4.440 2.483 2.161 2.764 . 0 0 "[ . 1 . 2]" 1
191 1 62 VAL MG2 1 110 ALA MB 3.090 . 4.380 1.926 1.804 2.216 . 0 0 "[ . 1 . 2]" 1
192 1 63 THR H 1 64 VAL H 3.280 . 4.760 4.312 4.211 4.433 . 0 0 "[ . 1 . 2]" 1
193 1 63 THR H 1 78 VAL H 3.470 . 5.140 5.108 4.852 5.288 0.148 8 0 "[ . 1 . 2]" 1
194 1 64 VAL H 1 65 THR H 3.050 . 4.300 4.106 3.952 4.291 . 0 0 "[ . 1 . 2]" 1
195 1 64 VAL H 1 75 LEU MD1 2.920 . 4.040 3.082 2.727 3.438 . 0 0 "[ . 1 . 2]" 1
196 1 64 VAL H 1 76 CYS H 2.560 . 3.320 2.981 2.608 3.494 0.174 2 0 "[ . 1 . 2]" 1
197 1 64 VAL H 1 77 GLU H 3.480 . 5.160 4.753 4.476 5.082 . 0 0 "[ . 1 . 2]" 1
198 1 64 VAL MG1 1 65 THR H 2.870 . 3.940 3.108 2.704 3.333 . 0 0 "[ . 1 . 2]" 1
199 1 64 VAL MG1 1 126 LEU MD1 3.450 . 5.100 3.244 2.294 3.976 . 0 0 "[ . 1 . 2]" 1
200 1 64 VAL MG1 1 126 LEU MD2 2.450 . 3.100 1.779 1.617 1.959 0.183 17 0 "[ . 1 . 2]" 1
201 1 64 VAL MG2 1 65 THR H 3.530 . 5.250 4.307 4.168 4.464 . 0 0 "[ . 1 . 2]" 1
202 1 64 VAL MG2 1 126 LEU MD2 3.200 . 4.600 2.523 1.783 2.883 0.017 8 0 "[ . 1 . 2]" 1
203 1 64 VAL MG2 1 128 LEU QD 3.430 . 5.060 2.495 1.894 3.336 . 0 0 "[ . 1 . 2]" 1
204 1 65 THR H 1 66 ALA H 3.240 . 4.680 4.445 4.285 4.516 . 0 0 "[ . 1 . 2]" 1
205 1 66 ALA H 1 67 SER H 3.010 . 4.220 4.187 3.970 4.354 0.134 5 0 "[ . 1 . 2]" 1
206 1 66 ALA H 1 73 ALA H 3.250 . 4.700 4.302 3.903 4.629 . 0 0 "[ . 1 . 2]" 1
207 1 66 ALA H 1 74 PHE H 2.730 . 3.660 3.238 3.030 3.388 . 0 0 "[ . 1 . 2]" 1
208 1 66 ALA H 1 76 CYS H 3.510 . 5.220 5.253 4.844 5.624 0.404 10 0 "[ . 1 . 2]" 1
209 1 66 ALA MB 1 67 SER H 3.040 . 4.280 3.291 2.939 3.520 . 0 0 "[ . 1 . 2]" 1
210 1 66 ALA MB 1 73 ALA H 3.410 . 5.020 3.490 3.114 3.733 . 0 0 "[ . 1 . 2]" 1
211 1 66 ALA MB 1 73 ALA MB 3.190 . 4.580 2.174 1.834 2.414 . 0 0 "[ . 1 . 2]" 1
212 1 66 ALA MB 1 74 PHE H 3.120 . 4.440 2.497 2.265 2.669 . 0 0 "[ . 1 . 2]" 1
213 1 66 ALA MB 1 74 PHE QD 3.450 . 5.100 3.091 2.829 3.282 . 0 0 "[ . 1 . 2]" 1
214 1 66 ALA MB 1 74 PHE QE 3.020 . 4.240 2.885 2.615 3.094 . 0 0 "[ . 1 . 2]" 1
215 1 67 SER H 1 68 LEU H 3.260 . 4.720 4.282 4.201 4.389 . 0 0 "[ . 1 . 2]" 1
216 1 67 SER H 1 73 ALA H 3.250 . 4.700 4.493 4.090 4.912 0.212 3 0 "[ . 1 . 2]" 1
217 1 68 LEU H 1 69 GLY H 2.480 . 3.160 3.897 3.388 4.008 0.848 9 19 "[********+* -********]" 1
218 1 68 LEU H 1 70 GLU H 3.240 . 4.680 5.127 4.639 5.916 1.236 5 7 "[ -+ * *1 * * * 2]" 1
219 1 68 LEU H 1 71 GLU H 2.910 . 4.020 4.027 3.505 4.659 0.639 5 2 "[ + 1 - . 2]" 1
220 1 68 LEU H 1 73 ALA H 2.910 . 4.020 3.507 3.209 4.125 0.105 3 0 "[ . 1 . 2]" 1
221 1 68 LEU QD 1 73 ALA H 2.780 . 3.760 3.253 2.613 4.125 0.365 13 0 "[ . 1 . 2]" 1
222 1 68 LEU QD 1 73 ALA MB 2.890 . 3.990 1.964 1.628 3.057 0.162 20 0 "[ . 1 . 2]" 1
223 1 69 GLY H 1 70 GLU H 2.900 . 4.000 4.170 3.888 4.510 0.510 13 2 "[ - 1 + . 2]" 1
224 1 69 GLY H 1 71 GLU H 3.250 . 4.700 4.776 4.457 5.059 0.359 13 0 "[ . 1 . 2]" 1
225 1 70 GLU H 1 71 GLU H 1.890 . 1.980 2.037 1.763 2.325 0.345 9 0 "[ . 1 . 2]" 1
226 1 71 GLU H 1 72 THR H 3.250 . 4.700 4.397 4.082 4.623 . 0 0 "[ . 1 . 2]" 1
227 1 72 THR H 1 73 ALA H 3.270 . 4.740 4.532 4.481 4.601 . 0 0 "[ . 1 . 2]" 1
228 1 73 ALA H 1 74 PHE H 2.320 . 2.840 2.634 2.389 2.803 . 0 0 "[ . 1 . 2]" 1
229 1 73 ALA MB 1 74 PHE H 2.540 . 3.280 2.070 2.012 2.147 . 0 0 "[ . 1 . 2]" 1
230 1 73 ALA MB 1 74 PHE QD 3.340 . 4.880 2.238 2.107 2.395 . 0 0 "[ . 1 . 2]" 1
231 1 73 ALA MB 1 123 PHE QE 2.980 . 4.160 2.907 2.020 3.776 . 0 0 "[ . 1 . 2]" 1
232 1 74 PHE H 1 75 LEU H 3.150 . 4.500 4.335 4.151 4.381 . 0 0 "[ . 1 . 2]" 1
233 1 74 PHE QD 1 75 LEU H 3.100 . 4.400 3.448 2.990 4.280 . 0 0 "[ . 1 . 2]" 1
234 1 74 PHE QD 1 123 PHE QE 3.450 . 5.100 3.376 2.941 4.138 . 0 0 "[ . 1 . 2]" 1
235 1 74 PHE QE 1 118 VAL MG1 3.080 . 4.360 3.306 3.018 3.658 . 0 0 "[ . 1 . 2]" 1
236 1 74 PHE QE 1 118 VAL MG2 3.010 . 4.220 2.551 2.267 2.904 . 0 0 "[ . 1 . 2]" 1
237 1 74 PHE QE 1 123 PHE QD 3.360 . 4.920 3.595 3.138 4.247 . 0 0 "[ . 1 . 2]" 1
238 1 74 PHE QE 1 126 LEU MD2 3.340 . 4.880 2.483 1.577 3.334 0.223 4 0 "[ . 1 . 2]" 1
239 1 75 LEU H 1 76 CYS H 3.120 . 4.440 4.147 3.849 4.461 0.021 16 0 "[ . 1 . 2]" 1
240 1 75 LEU MD1 1 76 CYS H 2.610 . 3.420 2.439 1.756 3.053 0.044 15 0 "[ . 1 . 2]" 1
241 1 76 CYS H 1 77 GLU H 3.200 . 4.600 4.150 3.766 4.466 . 0 0 "[ . 1 . 2]" 1
242 1 77 GLU H 1 78 VAL H 3.070 . 4.340 4.194 4.007 4.428 0.088 10 0 "[ . 1 . 2]" 1
243 1 77 GLU H 1 78 VAL MG2 3.210 . 4.620 3.469 3.096 4.117 . 0 0 "[ . 1 . 2]" 1
244 1 77 GLU H 1 117 MET ME 2.460 . 3.120 2.924 2.472 3.440 0.320 10 0 "[ . 1 . 2]" 1
245 1 78 VAL H 1 79 GLN H 3.220 . 4.640 4.029 3.934 4.190 . 0 0 "[ . 1 . 2]" 1
246 1 78 VAL MG1 1 79 GLN H 2.410 . 3.020 3.173 2.744 3.312 0.292 9 0 "[ . 1 . 2]" 1
247 1 78 VAL MG1 1 80 GLN H 2.890 . 3.990 2.893 2.692 3.128 . 0 0 "[ . 1 . 2]" 1
248 1 78 VAL MG2 1 79 GLN H 3.360 . 4.920 4.143 4.036 4.207 . 0 0 "[ . 1 . 2]" 1
249 1 78 VAL MG2 1 114 ILE H 3.430 . 5.060 3.203 3.076 3.406 . 0 0 "[ . 1 . 2]" 1
250 1 78 VAL MG2 1 117 MET ME 2.730 . 3.660 2.183 1.974 2.487 . 0 0 "[ . 1 . 2]" 1
251 1 79 GLN H 1 80 GLN H 2.820 . 3.840 3.946 3.854 4.040 0.200 18 0 "[ . 1 . 2]" 1
252 1 80 GLN H 1 81 GLY H 3.130 . 4.460 4.186 4.097 4.293 . 0 0 "[ . 1 . 2]" 1
253 1 80 GLN H 1 110 ALA MB 3.390 . 4.980 3.611 3.284 3.802 . 0 0 "[ . 1 . 2]" 1
254 1 81 GLY H 1 82 GLY H 3.290 . 4.780 4.556 4.450 4.595 . 0 0 "[ . 1 . 2]" 1
255 1 82 GLY H 1 83 ILE H 3.190 . 4.580 4.111 3.967 4.322 . 0 0 "[ . 1 . 2]" 1
256 1 82 GLY H 1 84 PHE QE 3.460 . 5.120 4.041 3.511 4.423 . 0 0 "[ . 1 . 2]" 1
257 1 83 ILE H 1 84 PHE H 3.240 . 4.680 4.419 4.318 4.479 . 0 0 "[ . 1 . 2]" 1
258 1 84 PHE H 1 85 SER H 3.240 . 4.680 4.211 4.060 4.459 . 0 0 "[ . 1 . 2]" 1
259 1 84 PHE QD 1 85 SER H 3.340 . 4.880 4.473 4.024 4.796 . 0 0 "[ . 1 . 2]" 1
260 1 85 SER H 1 86 ILE H 2.950 . 4.100 4.196 4.040 4.412 0.312 13 0 "[ . 1 . 2]" 1
261 1 86 ILE H 1 87 ALA H 3.260 . 4.720 4.445 4.345 4.546 . 0 0 "[ . 1 . 2]" 1
262 1 87 ALA H 1 88 GLY H 3.080 . 4.360 4.343 4.128 4.414 0.054 6 0 "[ . 1 . 2]" 1
263 1 87 ALA H 1 89 ILE H 3.110 . 4.420 4.368 3.788 4.858 0.438 10 0 "[ . 1 . 2]" 1
264 1 87 ALA MB 1 88 GLY H 2.820 . 3.840 2.484 2.119 3.010 . 0 0 "[ . 1 . 2]" 1
265 1 88 GLY H 1 89 ILE H 2.070 . 2.340 2.688 2.195 3.107 0.767 13 6 "[ * * 1 + . ** -]" 1
266 1 89 ILE H 1 90 GLU H 3.250 . 4.700 4.438 4.305 4.503 . 0 0 "[ . 1 . 2]" 1
267 1 90 GLU H 1 91 GLY H 3.190 . 4.580 4.394 4.318 4.465 . 0 0 "[ . 1 . 2]" 1
268 1 90 GLU H 1 93 GLN H 3.320 . 4.830 4.243 3.909 4.825 . 0 0 "[ . 1 . 2]" 1
269 1 90 GLU H 1 94 MET H 2.930 . 4.060 3.576 2.948 4.069 0.009 20 0 "[ . 1 . 2]" 1
270 1 91 GLY H 1 92 THR H 3.290 . 4.780 4.533 4.437 4.629 . 0 0 "[ . 1 . 2]" 1
271 1 91 GLY H 1 94 MET H 3.280 . 4.760 4.230 3.910 4.524 . 0 0 "[ . 1 . 2]" 1
272 1 92 THR H 1 93 GLN H 2.150 . 2.500 2.538 2.402 2.756 0.256 5 0 "[ . 1 . 2]" 1
273 1 92 THR H 1 94 MET H 3.100 . 4.400 4.377 4.060 4.867 0.467 17 0 "[ . 1 . 2]" 1
274 1 92 THR H 1 95 ALA H 3.410 . 5.020 4.653 4.362 4.923 . 0 0 "[ . 1 . 2]" 1
275 1 93 GLN H 1 94 MET H 2.380 . 2.960 2.612 2.511 2.740 . 0 0 "[ . 1 . 2]" 1
276 1 93 GLN H 1 95 ALA H 3.050 . 4.300 3.741 3.405 4.113 . 0 0 "[ . 1 . 2]" 1
277 1 93 GLN H 1 96 HIS H 3.500 . 5.200 4.615 4.417 4.990 . 0 0 "[ . 1 . 2]" 1
278 1 94 MET H 1 95 ALA H 2.150 . 2.500 2.493 2.342 2.667 0.167 2 0 "[ . 1 . 2]" 1
279 1 94 MET H 1 96 HIS H 3.050 . 4.300 4.049 3.854 4.379 0.079 18 0 "[ . 1 . 2]" 1
280 1 94 MET H 1 97 CYS H 3.400 . 5.000 4.649 4.397 5.154 0.154 12 0 "[ . 1 . 2]" 1
281 1 94 MET ME 1 95 ALA H 3.510 . 5.220 4.735 2.506 6.352 1.132 14 6 "[ *.- 1 +. * **]" 1
282 1 94 MET ME 1 98 LEU QD 2.380 . 2.960 2.800 1.796 4.417 1.457 1 6 "[+ * .** * - . 2]" 1
283 1 95 ALA H 1 96 HIS H 2.300 . 2.800 2.628 2.460 2.713 . 0 0 "[ . 1 . 2]" 1
284 1 95 ALA H 1 97 CYS H 3.080 . 4.360 3.921 3.724 4.204 . 0 0 "[ . 1 . 2]" 1
285 1 95 ALA H 1 98 LEU H 3.340 . 4.880 4.871 4.589 5.510 0.630 2 1 "[ + . 1 . 2]" 1
286 1 95 ALA MB 1 96 HIS H 2.650 . 3.500 2.687 2.429 3.008 . 0 0 "[ . 1 . 2]" 1
287 1 95 ALA MB 1 137 PHE QE 3.390 . 4.980 3.277 2.098 4.618 . 0 0 "[ . 1 . 2]" 1
288 1 96 HIS H 1 97 CYS H 2.230 . 2.660 2.498 2.313 2.626 . 0 0 "[ . 1 . 2]" 1
289 1 96 HIS H 1 98 LEU H 2.870 . 3.940 4.321 3.952 4.791 0.851 2 6 "[ + .- 1 .****2]" 1
290 1 96 HIS H 1 99 GLY H 3.220 . 4.640 4.613 4.227 4.957 0.317 6 0 "[ . 1 . 2]" 1
291 1 97 CYS H 1 98 LEU H 2.230 . 2.660 2.679 2.465 2.943 0.283 2 0 "[ . 1 . 2]" 1
292 1 97 CYS H 1 99 GLY H 2.940 . 4.080 3.890 3.580 4.207 0.127 8 0 "[ . 1 . 2]" 1
293 1 97 CYS H 1 100 ALA H 3.450 . 5.100 4.963 4.693 5.233 0.133 8 0 "[ . 1 . 2]" 1
294 1 97 CYS H 1 101 TYR H 3.450 . 5.100 4.835 4.636 4.989 . 0 0 "[ . 1 . 2]" 1
295 1 98 LEU H 1 99 GLY H 2.020 . 2.240 2.499 2.350 2.722 0.482 12 0 "[ . 1 . 2]" 1
296 1 98 LEU H 1 100 ALA H 2.830 . 3.860 4.186 3.952 4.354 0.494 2 0 "[ . 1 . 2]" 1
297 1 98 LEU H 1 101 TYR H 3.300 . 4.800 4.903 4.623 5.160 0.360 18 0 "[ . 1 . 2]" 1
298 1 98 LEU H 1 102 CYS H 3.280 . 4.760 5.050 4.885 5.159 0.399 8 0 "[ . 1 . 2]" 1
299 1 99 GLY H 1 100 ALA H 2.110 . 2.420 2.535 2.378 2.732 0.312 11 0 "[ . 1 . 2]" 1
300 1 99 GLY H 1 100 ALA MB 3.400 . 5.000 4.077 3.871 4.348 . 0 0 "[ . 1 . 2]" 1
301 1 99 GLY H 1 101 TYR H 3.080 . 4.360 4.178 3.829 4.449 0.089 5 0 "[ . 1 . 2]" 1
302 1 99 GLY H 1 102 CYS H 3.230 . 4.660 5.183 4.856 5.446 0.786 1 13 "[+ **** *****- * * 2]" 1
303 1 100 ALA H 1 101 TYR H 2.130 . 2.460 2.198 1.980 2.411 . 0 0 "[ . 1 . 2]" 1
304 1 100 ALA H 1 102 CYS H 2.520 . 3.240 3.716 3.409 4.008 0.768 1 9 "[+ * .* ** - *. * *]" 1
305 1 100 ALA MB 1 101 TYR H 2.420 . 3.040 2.316 2.106 2.563 . 0 0 "[ . 1 . 2]" 1
306 1 100 ALA MB 1 134 ASP H 2.990 . 4.180 3.315 2.878 4.207 0.027 17 0 "[ . 1 . 2]" 1
307 1 101 TYR H 1 102 CYS H 2.330 . 2.860 2.856 2.661 3.060 0.200 14 0 "[ . 1 . 2]" 1
308 1 101 TYR QD 1 102 CYS H 3.110 . 4.420 3.038 2.738 3.694 . 0 0 "[ . 1 . 2]" 1
309 1 109 TYR H 1 110 ALA H 2.180 . 2.560 2.593 2.513 2.697 0.137 4 0 "[ . 1 . 2]" 1
310 1 109 TYR H 1 111 ARG H 2.960 . 4.120 4.037 3.887 4.344 0.224 17 0 "[ . 1 . 2]" 1
311 1 109 TYR QD 1 110 ALA H 3.450 . 5.100 4.355 4.082 4.840 . 0 0 "[ . 1 . 2]" 1
312 1 110 ALA H 1 111 ARG H 2.120 . 2.440 2.584 2.513 2.629 0.189 11 0 "[ . 1 . 2]" 1
313 1 110 ALA H 1 112 GLU H 3.020 . 4.240 4.163 3.801 4.429 0.189 11 0 "[ . 1 . 2]" 1
314 1 110 ALA H 1 113 CYS H 3.440 . 5.080 4.795 4.622 4.993 . 0 0 "[ . 1 . 2]" 1
315 1 110 ALA MB 1 111 ARG H 2.680 . 3.560 2.470 2.307 2.553 . 0 0 "[ . 1 . 2]" 1
316 1 110 ALA MB 1 114 ILE H 3.410 . 5.020 4.658 4.557 4.760 . 0 0 "[ . 1 . 2]" 1
317 1 111 ARG H 1 112 GLU H 2.360 . 2.920 2.834 2.668 2.947 0.027 11 0 "[ . 1 . 2]" 1
318 1 111 ARG H 1 113 CYS H 3.100 . 4.400 4.308 4.211 4.451 0.051 13 0 "[ . 1 . 2]" 1
319 1 111 ARG H 1 114 ILE H 3.500 . 5.200 4.891 4.850 4.943 . 0 0 "[ . 1 . 2]" 1
320 1 112 GLU H 1 113 CYS H 2.190 . 2.580 2.698 2.585 2.829 0.249 13 0 "[ . 1 . 2]" 1
321 1 112 GLU H 1 114 ILE H 3.210 . 4.620 4.196 4.050 4.305 . 0 0 "[ . 1 . 2]" 1
322 1 112 GLU H 1 115 THR H 3.470 . 5.140 4.655 4.491 4.911 . 0 0 "[ . 1 . 2]" 1
323 1 112 GLU H 3 109 TYR QE 3.500 . 5.200 4.705 4.373 5.179 . 0 0 "[ . 1 . 2]" 1
324 1 113 CYS H 1 114 ILE H 2.340 . 2.880 2.717 2.635 2.788 . 0 0 "[ . 1 . 2]" 1
325 1 113 CYS H 1 115 THR H 3.120 . 4.440 4.199 4.026 4.531 0.091 13 0 "[ . 1 . 2]" 1
326 1 113 CYS H 1 116 SER H 3.380 . 4.960 4.916 4.782 5.008 0.048 13 0 "[ . 1 . 2]" 1
327 1 114 ILE H 1 115 THR H 2.440 . 3.080 2.675 2.569 2.877 . 0 0 "[ . 1 . 2]" 1
328 1 114 ILE H 1 116 SER H 3.070 . 4.340 4.224 4.068 4.424 0.084 15 0 "[ . 1 . 2]" 1
329 1 115 THR H 1 116 SER H 2.360 . 2.920 2.770 2.699 2.873 . 0 0 "[ . 1 . 2]" 1
330 1 115 THR H 1 117 MET H 3.330 . 4.860 4.386 4.194 4.507 . 0 0 "[ . 1 . 2]" 1
331 1 116 SER H 1 117 MET H 2.350 . 2.900 2.701 2.634 2.835 . 0 0 "[ . 1 . 2]" 1
332 1 116 SER H 1 118 VAL H 3.120 . 4.440 4.113 3.984 4.279 . 0 0 "[ . 1 . 2]" 1
333 1 116 SER H 1 119 SER H 3.420 . 5.040 4.788 4.683 4.897 . 0 0 "[ . 1 . 2]" 1
334 1 117 MET H 1 118 VAL H 2.410 . 3.020 2.722 2.558 2.832 . 0 0 "[ . 1 . 2]" 1
335 1 117 MET H 1 119 SER H 3.090 . 4.380 4.281 4.150 4.400 0.020 6 0 "[ . 1 . 2]" 1
336 1 118 VAL H 1 119 SER H 2.330 . 2.860 2.722 2.619 2.804 . 0 0 "[ . 1 . 2]" 1
337 1 118 VAL MG1 1 119 SER H 3.170 . 4.540 3.342 3.155 3.481 . 0 0 "[ . 1 . 2]" 1
338 1 118 VAL MG1 1 123 PHE H 3.200 . 4.600 3.658 3.224 3.968 . 0 0 "[ . 1 . 2]" 1
339 1 118 VAL MG1 1 123 PHE QD 3.160 . 4.520 3.212 2.196 3.785 . 0 0 "[ . 1 . 2]" 1
340 1 118 VAL MG1 1 126 LEU H 3.470 . 5.140 3.049 2.666 3.311 . 0 0 "[ . 1 . 2]" 1
341 1 118 VAL MG2 1 119 SER H 3.340 . 4.880 3.889 3.752 4.008 . 0 0 "[ . 1 . 2]" 1
342 1 118 VAL MG2 1 126 LEU MD2 2.950 . 4.100 2.270 1.791 2.819 0.009 10 0 "[ . 1 . 2]" 1
343 1 119 SER H 1 121 GLY H 3.060 . 4.320 4.037 3.897 4.198 . 0 0 "[ . 1 . 2]" 1
344 1 121 GLY H 1 122 THR H 2.450 . 3.100 2.678 2.520 2.995 . 0 0 "[ . 1 . 2]" 1
345 1 121 GLY H 1 123 PHE H 2.740 . 3.680 3.686 3.380 4.027 0.347 14 0 "[ . 1 . 2]" 1
346 1 121 GLY H 2 18 THR H 3.300 . 4.800 4.372 4.133 4.703 . 0 0 "[ . 1 . 2]" 1
347 1 122 THR H 1 123 PHE H 2.390 . 2.980 2.683 2.548 2.922 . 0 0 "[ . 1 . 2]" 1
348 1 122 THR H 2 18 THR H 3.080 . 4.360 4.348 4.017 4.636 0.276 14 0 "[ . 1 . 2]" 1
349 1 125 GLN H 1 126 LEU H 3.330 . 4.860 4.548 4.456 4.638 . 0 0 "[ . 1 . 2]" 1
350 1 126 LEU H 1 127 ASN H 2.890 . 3.980 4.126 3.878 4.378 0.398 2 0 "[ . 1 . 2]" 1
351 1 126 LEU MD1 1 127 ASN H 2.930 . 4.060 2.699 2.109 3.286 . 0 0 "[ . 1 . 2]" 1
352 1 126 LEU MD1 1 128 LEU H 3.440 . 5.080 4.061 3.347 4.772 . 0 0 "[ . 1 . 2]" 1
353 1 126 LEU MD1 1 128 LEU QD 3.320 . 4.830 2.972 2.022 4.145 . 0 0 "[ . 1 . 2]" 1
354 1 127 ASN H 1 128 LEU H 3.110 . 4.410 4.105 3.706 4.278 . 0 0 "[ . 1 . 2]" 1
355 1 128 LEU H 1 129 ALA H 3.250 . 4.700 4.550 4.479 4.642 . 0 0 "[ . 1 . 2]" 1
356 1 128 LEU QD 1 129 ALA H 2.520 . 3.240 2.783 1.747 3.815 0.575 11 1 "[ . 1+ . 2]" 1
357 1 128 LEU QD 1 129 ALA MB 3.420 . 5.040 3.834 2.875 4.873 . 0 0 "[ . 1 . 2]" 1
358 1 131 VAL H 1 133 PHE QE 3.280 . 4.760 4.377 3.299 8.290 3.530 17 1 "[ . 1 . + 2]" 1
359 1 131 VAL QG 1 133 PHE H 3.500 . 5.200 3.494 2.845 4.173 . 0 0 "[ . 1 . 2]" 1
360 1 131 VAL QG 1 133 PHE QD 2.910 . 4.020 3.338 3.046 3.776 . 0 0 "[ . 1 . 2]" 1
361 1 131 VAL QG 1 133 PHE QE 2.400 . 3.000 3.254 2.820 4.714 1.714 15 4 "[ -*. 1 + * 2]" 1
362 1 131 VAL QG 1 136 LEU MD1 3.270 . 4.740 3.494 2.028 4.922 0.182 3 0 "[ . 1 . 2]" 1
363 1 133 PHE H 1 134 ASP H 2.180 . 2.560 2.605 2.344 2.775 0.215 9 0 "[ . 1 . 2]" 1
364 1 133 PHE H 1 135 ALA H 2.950 . 4.100 4.268 3.866 4.516 0.416 1 0 "[ . 1 . 2]" 1
365 1 133 PHE H 1 136 LEU H 3.260 . 4.720 4.998 4.499 5.517 0.797 10 7 "[** -. **+ *. 2]" 1
366 1 133 PHE QD 1 134 ASP H 3.240 . 4.680 4.163 3.162 4.624 . 0 0 "[ . 1 . 2]" 1
367 1 134 ASP H 1 135 ALA H 2.340 . 2.880 2.697 2.599 2.823 . 0 0 "[ . 1 . 2]" 1
368 1 134 ASP H 1 136 LEU H 3.090 . 4.380 4.231 3.874 4.690 0.310 14 0 "[ . 1 . 2]" 1
369 1 135 ALA H 1 136 LEU H 2.350 . 2.900 2.667 2.410 2.870 . 0 0 "[ . 1 . 2]" 1
370 1 135 ALA H 1 137 PHE H 3.110 . 4.420 4.267 3.963 4.556 0.136 2 0 "[ . 1 . 2]" 1
371 1 135 ALA H 1 138 MET H 3.320 . 4.830 4.767 4.558 5.254 0.424 7 0 "[ . 1 . 2]" 1
372 1 135 ALA MB 1 136 LEU H 2.620 . 3.440 2.536 2.282 2.861 . 0 0 "[ . 1 . 2]" 1
373 1 135 ALA MB 1 139 ASN H 3.370 . 4.940 4.566 4.215 4.955 0.015 7 0 "[ . 1 . 2]" 1
374 1 136 LEU H 1 137 PHE H 2.360 . 2.920 2.732 2.637 2.856 . 0 0 "[ . 1 . 2]" 1
375 1 136 LEU H 1 138 MET H 3.030 . 4.260 4.057 3.813 4.467 0.207 7 0 "[ . 1 . 2]" 1
376 1 136 LEU H 1 139 ASN H 3.520 . 5.240 4.830 4.573 4.988 . 0 0 "[ . 1 . 2]" 1
377 1 137 PHE H 1 138 MET H 2.110 . 2.420 2.611 2.342 2.762 0.342 19 0 "[ . 1 . 2]" 1
378 1 137 PHE H 1 139 ASN H 3.240 . 4.680 4.247 3.910 4.551 . 0 0 "[ . 1 . 2]" 1
379 1 137 PHE H 1 140 TYR H 3.340 . 4.880 4.988 4.711 5.439 0.559 2 1 "[ + . 1 . 2]" 1
380 1 137 PHE QD 1 138 MET H 3.440 . 5.080 4.028 3.491 4.725 . 0 0 "[ . 1 . 2]" 1
381 1 138 MET H 1 139 ASN H 2.390 . 2.980 2.607 2.494 2.808 . 0 0 "[ . 1 . 2]" 1
382 1 138 MET H 1 140 TYR H 2.880 . 3.960 4.060 3.755 4.351 0.391 14 0 "[ . 1 . 2]" 1
383 1 138 MET H 1 141 LEU H 3.200 . 4.600 4.570 4.377 4.805 0.205 3 0 "[ . 1 . 2]" 1
384 1 138 MET ME 1 141 LEU MD2 3.030 . 4.260 2.230 1.651 2.764 0.149 8 0 "[ . 1 . 2]" 1
385 1 139 ASN H 1 140 TYR H 2.330 . 2.860 2.658 2.534 2.834 . 0 0 "[ . 1 . 2]" 1
386 1 139 ASN H 1 141 LEU H 3.080 . 4.360 3.991 3.839 4.218 . 0 0 "[ . 1 . 2]" 1
387 1 140 TYR H 1 141 LEU H 2.180 . 2.560 2.483 2.287 2.811 0.251 4 0 "[ . 1 . 2]" 1
388 1 140 TYR QD 1 141 LEU H 3.170 . 4.540 3.813 3.231 4.055 . 0 0 "[ . 1 . 2]" 1
389 2 9 MET H 2 10 THR H 3.340 . 4.880 4.601 4.398 4.771 . 0 0 "[ . 1 . 2]" 1
390 2 9 MET ME 2 10 THR H 2.510 . 3.220 3.068 2.459 3.974 0.754 15 4 "[ .* - + *2]" 1
391 2 9 MET ME 2 11 PHE H 3.270 . 4.740 3.591 3.024 3.909 . 0 0 "[ . 1 . 2]" 1
392 2 9 MET ME 2 11 PHE QD 3.200 . 4.600 2.823 1.931 3.747 . 0 0 "[ . 1 . 2]" 1
393 2 10 THR H 2 11 PHE H 3.080 . 4.360 4.032 3.586 4.199 . 0 0 "[ . 1 . 2]" 1
394 2 10 THR H 2 87 ALA H 2.680 . 3.560 3.129 2.765 3.622 0.062 15 0 "[ . 1 . 2]" 1
395 2 10 THR H 2 89 ILE H 3.390 . 4.980 3.839 3.392 4.307 . 0 0 "[ . 1 . 2]" 1
396 2 11 PHE H 2 12 GLN H 3.150 . 4.500 4.185 3.886 4.443 . 0 0 "[ . 1 . 2]" 1
397 2 11 PHE QD 2 12 GLN H 2.570 . 3.340 3.606 3.052 3.993 0.653 13 5 "[ * . *- 1 +*. 2]" 1
398 2 11 PHE QE 2 12 GLN H 3.160 . 4.520 4.696 4.104 5.374 0.854 17 3 "[ . 1 -*. + 2]" 1
399 2 11 PHE QE 2 84 PHE QD 3.190 . 4.580 3.335 2.540 3.971 . 0 0 "[ . 1 . 2]" 1
400 2 12 GLN H 2 13 ILE H 2.980 . 4.160 4.209 3.977 4.356 0.196 4 0 "[ . 1 . 2]" 1
401 2 12 GLN H 2 85 SER H 2.620 . 3.440 3.290 2.801 3.965 0.525 15 1 "[ . 1 + 2]" 1
402 2 13 ILE H 2 14 GLN H 3.330 . 4.860 4.486 4.272 4.617 . 0 0 "[ . 1 . 2]" 1
403 2 13 ILE H 4 129 ALA MB 3.260 . 4.720 3.874 3.038 4.977 0.257 16 0 "[ . 1 . 2]" 1
404 2 14 GLN H 2 15 ARG H 2.010 . 2.220 2.309 2.084 2.558 0.338 17 0 "[ . 1 . 2]" 1
405 2 14 GLN H 2 83 ILE H 3.220 . 4.640 4.759 4.395 5.084 0.444 14 0 "[ . 1 . 2]" 1
406 2 14 GLN H 2 84 PHE QD 3.450 . 5.100 3.853 3.127 4.721 . 0 0 "[ . 1 . 2]" 1
407 2 15 ARG H 2 16 ILE H 3.090 . 4.380 4.175 4.038 4.351 . 0 0 "[ . 1 . 2]" 1
408 2 15 ARG H 2 83 ILE H 2.550 . 3.300 3.277 3.107 3.503 0.203 16 0 "[ . 1 . 2]" 1
409 2 16 ILE H 2 17 TYR H 3.240 . 4.680 4.405 4.098 4.506 . 0 0 "[ . 1 . 2]" 1
410 2 17 TYR H 2 18 THR H 3.180 . 4.560 4.275 4.178 4.376 . 0 0 "[ . 1 . 2]" 1
411 2 17 TYR H 2 81 GLY H 2.990 . 4.180 3.929 3.736 4.150 . 0 0 "[ . 1 . 2]" 1
412 2 17 TYR QD 2 18 THR H 3.120 . 4.440 3.999 3.543 4.398 . 0 0 "[ . 1 . 2]" 1
413 2 17 TYR QE 2 83 ILE H 3.370 . 4.940 2.860 2.266 3.673 . 0 0 "[ . 1 . 2]" 1
414 2 18 THR H 2 19 LYS H 3.270 . 4.740 4.433 4.331 4.496 . 0 0 "[ . 1 . 2]" 1
415 2 19 LYS H 2 20 ASP H 2.090 . 2.380 2.260 2.147 2.343 . 0 0 "[ . 1 . 2]" 1
416 2 19 LYS H 2 78 VAL MG1 3.490 . 5.180 4.528 4.156 4.710 . 0 0 "[ . 1 . 2]" 1
417 2 19 LYS H 2 79 GLN H 2.970 . 4.140 4.331 4.144 4.528 0.388 11 0 "[ . 1 . 2]" 1
418 2 19 LYS H 2 80 GLN H 3.480 . 5.160 4.992 4.824 5.057 . 0 0 "[ . 1 . 2]" 1
419 2 19 LYS H 2 81 GLY H 2.520 . 3.240 2.888 2.665 3.056 . 0 0 "[ . 1 . 2]" 1
420 2 20 ASP H 2 21 ILE H 3.170 . 4.540 4.257 4.172 4.349 . 0 0 "[ . 1 . 2]" 1
421 2 20 ASP H 2 78 VAL MG1 3.330 . 4.860 4.222 3.686 4.430 . 0 0 "[ . 1 . 2]" 1
422 2 20 ASP H 2 79 GLN H 2.490 . 3.180 3.200 3.027 3.351 0.171 18 0 "[ . 1 . 2]" 1
423 2 21 ILE H 2 22 SER H 3.190 . 4.580 4.269 4.176 4.384 . 0 0 "[ . 1 . 2]" 1
424 2 22 SER H 2 23 PHE H 3.080 . 4.360 4.106 3.816 4.281 . 0 0 "[ . 1 . 2]" 1
425 2 22 SER H 2 77 GLU H 2.540 . 3.280 3.199 3.060 3.381 0.101 11 0 "[ . 1 . 2]" 1
426 2 22 SER H 2 78 VAL H 3.520 . 5.240 5.076 4.957 5.191 . 0 0 "[ . 1 . 2]" 1
427 2 22 SER H 2 78 VAL MG2 3.000 . 4.200 3.848 3.035 4.204 0.004 13 0 "[ . 1 . 2]" 1
428 2 23 PHE H 2 24 GLU H 2.910 . 4.020 4.015 3.802 4.287 0.267 16 0 "[ . 1 . 2]" 1
429 2 23 PHE QD 2 24 GLU H 2.940 . 4.080 3.696 3.238 3.961 . 0 0 "[ . 1 . 2]" 1
430 2 23 PHE QE 2 118 VAL H 3.500 . 5.200 4.434 4.217 4.806 . 0 0 "[ . 1 . 2]" 1
431 2 23 PHE QE 2 121 GLY H 3.140 . 4.480 3.723 3.352 4.019 . 0 0 "[ . 1 . 2]" 1
432 2 24 GLU H 2 25 ALA H 3.230 . 4.660 4.274 4.044 4.450 . 0 0 "[ . 1 . 2]" 1
433 2 24 GLU H 2 75 LEU H 2.540 . 3.280 3.112 2.748 3.682 0.402 10 0 "[ . 1 . 2]" 1
434 2 25 ALA MB 2 27 ASN H 3.350 . 4.900 3.866 3.487 4.314 . 0 0 "[ . 1 . 2]" 1
435 2 25 ALA MB 2 28 ALA H 2.850 . 3.900 3.090 2.744 3.368 . 0 0 "[ . 1 . 2]" 1
436 2 25 ALA MB 2 28 ALA MB 2.490 . 3.180 1.805 1.649 1.983 0.151 11 0 "[ . 1 . 2]" 1
437 2 27 ASN H 2 28 ALA H 2.240 . 2.680 2.482 2.237 2.795 0.115 4 0 "[ . 1 . 2]" 1
438 2 28 ALA H 2 30 HIS H 2.990 . 4.180 4.316 4.103 4.899 0.719 7 1 "[ . + 1 . 2]" 1
439 2 28 ALA H 2 31 VAL H 3.490 . 5.180 5.044 4.828 5.325 0.145 17 0 "[ . 1 . 2]" 1
440 2 30 HIS H 2 31 VAL H 2.240 . 2.680 2.436 2.272 2.709 0.029 12 0 "[ . 1 . 2]" 1
441 2 30 HIS H 2 32 PHE H 3.260 . 4.720 4.414 3.796 4.702 . 0 0 "[ . 1 . 2]" 1
442 2 31 VAL H 2 32 PHE H 2.240 . 2.680 2.628 2.331 2.871 0.191 3 0 "[ . 1 . 2]" 1
443 2 31 VAL H 2 33 GLN H 3.370 . 4.940 4.563 4.306 4.759 . 0 0 "[ . 1 . 2]" 1
444 2 31 VAL QG 2 32 PHE H 2.670 . 3.540 2.585 2.285 2.865 . 0 0 "[ . 1 . 2]" 1
445 2 31 VAL QG 2 34 LYS H 3.490 . 5.180 3.999 3.327 4.763 . 0 0 "[ . 1 . 2]" 1
446 2 31 VAL QG 2 36 TRP H 3.170 . 4.540 4.561 3.595 6.071 1.531 19 3 "[ . 1 .*- +2]" 1
447 2 31 VAL QG 2 68 LEU QD 3.250 . 4.700 2.178 1.662 3.243 0.138 12 0 "[ . 1 . 2]" 1
448 2 31 VAL QG 2 123 PHE QE 2.870 . 3.920 2.323 1.763 3.179 0.037 5 0 "[ . 1 . 2]" 1
449 2 32 PHE H 2 33 GLN H 2.400 . 3.000 2.719 2.445 2.880 . 0 0 "[ . 1 . 2]" 1
450 2 32 PHE H 2 34 LYS H 3.100 . 4.400 4.357 4.000 4.943 0.543 13 1 "[ . 1 + . 2]" 1
451 2 32 PHE QD 2 33 GLN H 3.310 . 4.820 4.286 3.829 4.683 . 0 0 "[ . 1 . 2]" 1
452 2 33 GLN H 2 34 LYS H 2.210 . 2.620 2.596 2.444 2.867 0.247 13 0 "[ . 1 . 2]" 1
453 2 33 GLN H 2 35 ASP H 3.500 . 5.200 5.268 4.473 6.730 1.530 16 3 "[ . 1 .+- *2]" 1
454 2 34 LYS H 2 35 ASP H 2.720 . 3.640 3.603 3.226 4.369 0.729 16 3 "[ . 1 .+* -2]" 1
455 2 35 ASP H 2 36 TRP H 3.180 . 4.560 4.105 3.706 4.479 . 0 0 "[ . 1 . 2]" 1
456 2 35 ASP H 2 36 TRP HE3 3.500 . 5.200 4.975 1.882 6.553 1.353 18 5 "[ * .- 1* *. + 2]" 1
457 2 35 ASP H 2 68 LEU QD 3.320 . 4.830 4.546 3.491 6.631 1.801 17 3 "[ . 1 .*+ -2]" 1
458 2 36 TRP H 2 37 GLN H 3.190 . 4.580 4.357 4.293 4.399 . 0 0 "[ . 1 . 2]" 1
459 2 36 TRP H 2 68 LEU QD 2.820 . 3.320 2.821 1.988 4.443 1.123 17 2 "[ . 1 .-+ 2]" 1
460 2 36 TRP HE3 2 37 GLN H 3.260 . 4.720 4.710 3.686 5.994 1.274 10 2 "[ . -+ . 2]" 1
461 2 37 GLN H 2 68 LEU QD 3.410 . 5.020 4.636 3.892 5.312 0.292 3 0 "[ . 1 . 2]" 1
462 2 39 GLU H 2 40 VAL H 3.220 . 4.640 4.284 4.195 4.485 . 0 0 "[ . 1 . 2]" 1
463 2 39 GLU H 2 67 SER H 2.120 . 2.440 3.281 2.964 3.799 1.359 14 20 [*-***********+******] 1
464 2 39 GLU H 2 68 LEU H 3.440 . 5.080 5.198 4.577 6.234 1.154 14 2 "[ . 1 +.- 2]" 1
465 2 39 GLU H 2 69 GLY H 3.340 . 4.880 5.002 4.130 5.761 0.881 7 3 "[ . + 1 .- *]" 1
466 2 40 VAL H 2 41 LYS H 3.250 . 4.700 4.516 4.385 4.586 . 0 0 "[ . 1 . 2]" 1
467 2 40 VAL MG1 2 41 LYS H 3.400 . 5.000 3.106 2.087 3.975 . 0 0 "[ . 1 . 2]" 1
468 2 40 VAL MG1 2 126 LEU QD 2.780 . 3.760 2.910 2.036 3.872 0.112 14 0 "[ . 1 . 2]" 1
469 2 40 VAL MG2 2 41 LYS H 3.480 . 5.160 3.859 2.199 4.228 . 0 0 "[ . 1 . 2]" 1
470 2 41 LYS H 2 42 LEU H 3.180 . 4.560 4.238 3.874 4.469 . 0 0 "[ . 1 . 2]" 1
471 2 41 LYS H 2 64 VAL MG1 3.210 . 4.620 3.617 3.139 4.286 . 0 0 "[ . 1 . 2]" 1
472 2 41 LYS H 2 65 THR H 2.910 . 4.020 3.048 2.608 3.679 . 0 0 "[ . 1 . 2]" 1
473 2 42 LEU H 2 43 ASP H 3.290 . 4.780 4.495 4.381 4.574 . 0 0 "[ . 1 . 2]" 1
474 2 42 LEU QD 2 43 ASP H 3.390 . 4.980 3.043 1.893 4.245 . 0 0 "[ . 1 . 2]" 1
475 2 42 LEU QD 2 44 LEU QD 2.950 . 4.100 3.044 1.837 5.252 1.152 19 2 "[ . 1 - . +2]" 1
476 2 42 LEU QD 2 128 LEU QD 2.860 . 3.920 1.759 1.522 2.153 0.278 11 0 "[ . 1 . 2]" 1
477 2 43 ASP H 2 44 LEU H 2.920 . 4.040 4.140 3.826 4.408 0.368 14 0 "[ . 1 . 2]" 1
478 2 43 ASP H 2 44 LEU QD 3.130 . 4.460 4.158 2.763 5.614 1.154 18 7 "[ .* * * .*-+*2]" 1
479 2 43 ASP H 2 63 THR H 2.960 . 4.120 3.224 2.665 3.720 . 0 0 "[ . 1 . 2]" 1
480 2 43 ASP H 2 65 THR H 3.500 . 5.200 4.985 4.292 5.533 0.333 8 0 "[ . 1 . 2]" 1
481 2 44 LEU H 2 45 ASP H 3.250 . 4.700 4.384 4.197 4.522 . 0 0 "[ . 1 . 2]" 1
482 2 44 LEU H 2 63 THR H 3.300 . 4.800 4.863 4.636 5.054 0.254 6 0 "[ . 1 . 2]" 1
483 2 44 LEU QD 2 45 ASP H 3.400 . 5.000 3.745 2.261 4.450 . 0 0 "[ . 1 . 2]" 1
484 2 44 LEU QD 2 60 LEU QD 3.010 . 4.220 2.371 1.783 3.481 0.017 14 0 "[ . 1 . 2]" 1
485 2 44 LEU QD 2 133 PHE QE 3.010 . 4.220 2.557 1.692 4.314 0.108 5 0 "[ . 1 . 2]" 1
486 2 45 ASP H 2 46 THR H 3.220 . 4.640 4.360 4.163 4.440 . 0 0 "[ . 1 . 2]" 1
487 2 45 ASP H 2 60 LEU QD 3.220 . 4.640 3.640 2.785 5.030 0.390 18 0 "[ . 1 . 2]" 1
488 2 45 ASP H 2 61 ARG H 2.600 . 3.400 3.355 2.904 3.981 0.581 17 1 "[ . 1 . + 2]" 1
489 2 45 ASP H 2 62 VAL H 3.430 . 5.060 5.078 4.968 5.218 0.158 6 0 "[ . 1 . 2]" 1
490 2 45 ASP H 2 63 THR H 3.250 . 4.700 4.677 4.258 5.048 0.348 14 0 "[ . 1 . 2]" 1
491 2 46 THR H 2 47 ALA H 3.230 . 4.660 4.237 4.067 4.501 . 0 0 "[ . 1 . 2]" 1
492 2 47 ALA H 2 48 SER H 3.010 . 4.220 4.349 4.203 4.492 0.272 12 0 "[ . 1 . 2]" 1
493 2 47 ALA H 2 59 VAL H 2.960 . 4.120 3.739 3.298 4.086 . 0 0 "[ . 1 . 2]" 1
494 2 47 ALA H 2 61 ARG H 3.250 . 4.700 4.305 3.769 4.975 0.275 14 0 "[ . 1 . 2]" 1
495 2 47 ALA MB 2 48 SER H 2.950 . 4.100 2.987 2.638 3.301 . 0 0 "[ . 1 . 2]" 1
496 2 48 SER H 2 49 SER H 3.230 . 4.660 4.419 4.384 4.461 . 0 0 "[ . 1 . 2]" 1
497 2 49 SER H 2 50 GLN H 3.070 . 4.340 4.296 4.164 4.398 0.058 5 0 "[ . 1 . 2]" 1
498 2 49 SER H 2 57 GLU H 2.660 . 3.520 2.933 2.574 3.139 . 0 0 "[ . 1 . 2]" 1
499 2 50 GLN H 2 51 LEU H 3.280 . 4.760 4.336 4.102 4.564 . 0 0 "[ . 1 . 2]" 1
500 2 50 GLN H 2 57 GLU H 3.430 . 5.060 4.983 4.667 5.160 0.100 9 0 "[ . 1 . 2]" 1
501 2 51 LEU H 2 52 ALA H 2.150 . 2.500 2.372 2.158 2.588 0.088 18 0 "[ . 1 . 2]" 1
502 2 51 LEU H 2 55 VAL H 3.340 . 4.880 4.984 4.691 5.369 0.489 12 0 "[ . 1 . 2]" 1
503 2 51 LEU H 2 55 VAL MG1 3.220 . 4.640 3.468 3.135 3.631 . 0 0 "[ . 1 . 2]" 1
504 2 51 LEU H 2 56 TYR H 3.490 . 5.180 4.746 4.264 5.277 0.097 12 0 "[ . 1 . 2]" 1
505 2 51 LEU H 2 57 GLU H 2.860 . 3.920 3.852 3.396 4.445 0.525 3 2 "[ + . 1 -. 2]" 1
506 2 51 LEU MD1 2 55 VAL MG1 2.800 . 3.800 2.213 2.056 2.410 . 0 0 "[ . 1 . 2]" 1
507 2 51 LEU MD2 2 57 GLU H 3.200 . 4.600 4.154 3.440 4.872 0.272 1 0 "[ . 1 . 2]" 1
508 2 52 ALA H 2 53 ASP H 3.170 . 4.540 4.313 4.275 4.372 . 0 0 "[ . 1 . 2]" 1
509 2 52 ALA H 2 55 VAL H 2.800 . 3.800 3.506 3.359 3.716 . 0 0 "[ . 1 . 2]" 1
510 2 52 ALA H 2 55 VAL MG1 2.830 . 3.860 3.363 3.155 3.550 . 0 0 "[ . 1 . 2]" 1
511 2 52 ALA H 2 55 VAL MG2 3.250 . 4.700 4.076 3.863 4.398 . 0 0 "[ . 1 . 2]" 1
512 2 52 ALA MB 2 53 ASP H 2.310 . 2.820 1.862 1.760 2.238 0.040 2 0 "[ . 1 . 2]" 1
513 2 52 ALA MB 2 55 VAL MG1 3.510 . 5.220 3.076 2.599 3.278 . 0 0 "[ . 1 . 2]" 1
514 2 52 ALA MB 2 55 VAL MG2 3.170 . 4.540 2.499 2.293 2.744 . 0 0 "[ . 1 . 2]" 1
515 2 53 ASP H 2 54 ASP H 3.280 . 4.760 4.448 4.330 4.569 . 0 0 "[ . 1 . 2]" 1
516 2 53 ASP H 2 55 VAL H 3.370 . 4.940 4.068 3.808 4.237 . 0 0 "[ . 1 . 2]" 1
517 2 53 ASP H 2 55 VAL MG2 3.490 . 5.180 4.068 3.680 4.469 . 0 0 "[ . 1 . 2]" 1
518 2 54 ASP H 2 55 VAL H 2.360 . 2.920 2.797 2.638 2.909 . 0 0 "[ . 1 . 2]" 1
519 2 54 ASP H 2 56 TYR QE 3.490 . 5.180 3.781 2.257 6.833 1.653 8 1 "[ . + 1 . 2]" 1
520 2 55 VAL H 2 56 TYR H 2.800 . 3.800 4.233 4.141 4.341 0.541 8 2 "[ . + 1 . - 2]" 1
521 2 55 VAL H 2 56 TYR QD 3.290 . 4.780 4.310 3.644 4.989 0.209 8 0 "[ . 1 . 2]" 1
522 2 55 VAL H 2 56 TYR QE 3.380 . 4.960 4.506 3.841 6.420 1.460 8 1 "[ . + 1 . 2]" 1
523 2 55 VAL MG1 2 56 TYR H 3.190 . 4.580 3.015 2.824 3.143 . 0 0 "[ . 1 . 2]" 1
524 2 55 VAL MG1 2 84 PHE H 3.400 . 5.000 3.853 3.321 4.246 . 0 0 "[ . 1 . 2]" 1
525 2 56 TYR H 2 57 GLU H 3.280 . 4.760 4.391 4.320 4.456 . 0 0 "[ . 1 . 2]" 1
526 2 56 TYR H 2 84 PHE H 2.980 . 4.160 3.450 3.093 3.836 . 0 0 "[ . 1 . 2]" 1
527 2 56 TYR H 2 86 ILE H 2.710 . 3.620 3.921 3.479 4.910 1.290 8 5 "[ *. +*1 * - 2]" 1
528 2 56 TYR QD 2 57 GLU H 3.300 . 4.800 3.878 2.967 4.484 . 0 0 "[ . 1 . 2]" 1
529 2 56 TYR QD 2 86 ILE H 3.500 . 5.200 3.370 2.355 4.619 . 0 0 "[ . 1 . 2]" 1
530 2 57 GLU H 2 58 VAL H 3.030 . 4.260 4.072 3.658 4.463 0.203 5 0 "[ . 1 . 2]" 1
531 2 57 GLU H 2 84 PHE H 3.370 . 4.940 4.904 4.731 5.163 0.223 17 0 "[ . 1 . 2]" 1
532 2 58 VAL H 2 59 VAL H 3.320 . 4.830 4.383 4.267 4.476 . 0 0 "[ . 1 . 2]" 1
533 2 58 VAL H 2 82 GLY H 2.990 . 4.180 3.318 2.973 3.789 . 0 0 "[ . 1 . 2]" 1
534 2 58 VAL H 2 84 PHE H 2.980 . 4.160 4.082 3.456 4.551 0.391 7 0 "[ . 1 . 2]" 1
535 2 58 VAL H 2 84 PHE QD 3.010 . 4.220 2.989 2.509 3.441 . 0 0 "[ . 1 . 2]" 1
536 2 58 VAL H 2 84 PHE QE 3.190 . 4.580 3.572 3.142 3.788 . 0 0 "[ . 1 . 2]" 1
537 2 58 VAL MG1 2 59 VAL H 2.360 . 2.920 2.914 2.614 3.127 0.207 2 0 "[ . 1 . 2]" 1
538 2 58 VAL MG1 2 98 LEU QD 3.490 . 5.180 3.728 2.486 4.963 . 0 0 "[ . 1 . 2]" 1
539 2 58 VAL MG2 2 59 VAL H 3.390 . 4.980 4.119 3.977 4.257 . 0 0 "[ . 1 . 2]" 1
540 2 58 VAL MG2 2 84 PHE QD 3.390 . 4.980 2.390 2.005 2.711 . 0 0 "[ . 1 . 2]" 1
541 2 59 VAL H 2 60 LEU H 3.080 . 4.360 4.337 4.186 4.495 0.135 13 0 "[ . 1 . 2]" 1
542 2 59 VAL MG1 2 60 LEU H 2.800 . 3.800 2.804 2.286 3.151 . 0 0 "[ . 1 . 2]" 1
543 2 59 VAL MG1 2 80 GLN H 3.410 . 5.020 3.753 3.360 3.992 . 0 0 "[ . 1 . 2]" 1
544 2 59 VAL MG1 2 81 GLY H 3.130 . 4.460 3.688 3.329 3.875 . 0 0 "[ . 1 . 2]" 1
545 2 59 VAL MG2 2 82 GLY H 3.210 . 4.620 3.590 3.292 4.124 . 0 0 "[ . 1 . 2]" 1
546 2 60 LEU H 2 61 ARG H 3.210 . 4.620 4.124 3.943 4.270 . 0 0 "[ . 1 . 2]" 1
547 2 60 LEU H 2 80 GLN H 3.060 . 4.320 3.643 3.172 3.955 . 0 0 "[ . 1 . 2]" 1
548 2 60 LEU H 2 81 GLY H 3.520 . 5.240 4.782 4.584 5.111 . 0 0 "[ . 1 . 2]" 1
549 2 60 LEU H 2 82 GLY H 3.500 . 5.200 5.126 4.440 5.609 0.409 6 0 "[ . 1 . 2]" 1
550 2 60 LEU QD 2 61 ARG H 2.550 . 3.300 2.944 2.534 3.867 0.567 15 1 "[ . 1 + 2]" 1
551 2 60 LEU QD 2 62 VAL MG2 2.940 . 3.820 2.416 1.951 3.589 . 0 0 "[ . 1 . 2]" 1
552 2 61 ARG H 2 62 VAL H 3.150 . 4.500 4.373 4.255 4.505 0.005 8 0 "[ . 1 . 2]" 1
553 2 62 VAL H 2 63 THR H 3.090 . 4.380 4.141 4.017 4.344 . 0 0 "[ . 1 . 2]" 1
554 2 62 VAL H 2 78 VAL H 2.810 . 3.820 3.290 3.107 3.520 . 0 0 "[ . 1 . 2]" 1
555 2 62 VAL H 2 80 GLN H 3.090 . 4.380 4.177 3.887 4.501 0.121 6 0 "[ . 1 . 2]" 1
556 2 62 VAL MG1 2 63 THR H 2.970 . 4.140 3.151 2.629 3.383 . 0 0 "[ . 1 . 2]" 1
557 2 62 VAL MG1 2 64 VAL MG2 3.100 . 4.400 2.613 2.326 3.044 . 0 0 "[ . 1 . 2]" 1
558 2 62 VAL MG2 2 110 ALA MB 3.140 . 4.480 2.218 2.025 2.518 . 0 0 "[ . 1 . 2]" 1
559 2 63 THR H 2 64 VAL H 3.280 . 4.760 4.412 4.197 4.476 . 0 0 "[ . 1 . 2]" 1
560 2 64 VAL H 2 65 THR H 2.870 . 3.940 4.131 3.802 4.367 0.427 11 0 "[ . 1 . 2]" 1
561 2 64 VAL H 2 76 CYS H 2.810 . 3.820 3.521 3.143 3.740 . 0 0 "[ . 1 . 2]" 1
562 2 64 VAL H 2 77 GLU H 3.450 . 5.100 4.742 4.510 4.937 . 0 0 "[ . 1 . 2]" 1
563 2 64 VAL MG1 2 65 THR H 3.100 . 4.400 2.970 2.608 3.479 . 0 0 "[ . 1 . 2]" 1
564 2 64 VAL MG2 2 128 LEU QD 3.410 . 5.020 2.950 2.208 3.651 . 0 0 "[ . 1 . 2]" 1
565 2 65 THR H 2 66 ALA H 3.290 . 4.780 4.444 4.302 4.558 . 0 0 "[ . 1 . 2]" 1
566 2 66 ALA H 2 67 SER H 3.190 . 4.580 4.272 4.089 4.458 . 0 0 "[ . 1 . 2]" 1
567 2 66 ALA H 2 74 PHE H 3.100 . 4.400 3.579 3.239 3.912 . 0 0 "[ . 1 . 2]" 1
568 2 66 ALA H 2 75 LEU MD2 2.500 . 3.200 2.488 2.063 3.232 0.032 19 0 "[ . 1 . 2]" 1
569 2 66 ALA H 2 76 CYS H 3.290 . 4.780 5.015 4.754 5.371 0.591 6 2 "[ .+ 1- . 2]" 1
570 2 66 ALA MB 2 67 SER H 2.770 . 3.740 2.977 2.649 3.222 . 0 0 "[ . 1 . 2]" 1
571 2 66 ALA MB 2 74 PHE H 3.060 . 4.320 2.482 2.199 2.673 . 0 0 "[ . 1 . 2]" 1
572 2 66 ALA MB 2 74 PHE QD 2.940 . 4.080 3.030 2.628 3.198 . 0 0 "[ . 1 . 2]" 1
573 2 66 ALA MB 2 74 PHE QE 2.500 . 3.200 2.855 2.603 3.036 . 0 0 "[ . 1 . 2]" 1
574 2 67 SER H 2 68 LEU H 3.120 . 4.440 4.259 4.143 4.352 . 0 0 "[ . 1 . 2]" 1
575 2 67 SER H 2 73 ALA H 3.350 . 4.900 4.194 3.935 4.424 . 0 0 "[ . 1 . 2]" 1
576 2 68 LEU H 2 69 GLY H 3.110 . 4.420 4.284 3.896 4.448 0.028 7 0 "[ . 1 . 2]" 1
577 2 68 LEU H 2 71 GLU H 2.990 . 4.180 4.004 3.694 4.421 0.241 7 0 "[ . 1 . 2]" 1
578 2 68 LEU H 2 73 ALA H 2.510 . 3.220 3.474 2.779 4.013 0.793 7 3 "[* . + 1 . -]" 1
579 2 68 LEU H 2 73 ALA MB 2.530 . 3.260 2.905 2.426 3.533 0.273 17 0 "[ . 1 . 2]" 1
580 2 68 LEU H 2 74 PHE H 3.450 . 5.100 5.576 5.185 6.049 0.949 1 9 "[+ * . ** 1 -** **]" 1
581 2 68 LEU QD 2 73 ALA MB 2.330 . 2.860 2.186 1.670 2.545 0.130 16 0 "[ . 1 . 2]" 1
582 2 69 GLY H 2 70 GLU H 3.210 . 4.620 4.466 4.347 4.630 0.010 8 0 "[ . 1 . 2]" 1
583 2 69 GLY H 2 71 GLU H 3.290 . 4.780 4.657 4.368 4.784 0.004 1 0 "[ . 1 . 2]" 1
584 2 70 GLU H 2 71 GLU H 2.280 . 2.760 2.322 2.005 2.735 . 0 0 "[ . 1 . 2]" 1
585 2 71 GLU H 2 72 THR H 3.190 . 4.580 4.442 4.377 4.493 . 0 0 "[ . 1 . 2]" 1
586 2 72 THR H 2 73 ALA H 3.270 . 4.740 4.583 4.470 4.650 . 0 0 "[ . 1 . 2]" 1
587 2 73 ALA H 2 74 PHE H 2.050 . 2.310 2.448 2.199 2.805 0.495 16 0 "[ . 1 . 2]" 1
588 2 73 ALA MB 2 74 PHE H 2.610 . 3.420 2.044 1.910 2.278 . 0 0 "[ . 1 . 2]" 1
589 2 73 ALA MB 2 74 PHE QD 3.440 . 5.080 2.529 2.178 2.899 . 0 0 "[ . 1 . 2]" 1
590 2 74 PHE H 2 75 LEU H 3.080 . 4.360 4.263 4.146 4.313 . 0 0 "[ . 1 . 2]" 1
591 2 74 PHE QD 2 75 LEU H 3.180 . 4.560 3.509 2.912 4.010 . 0 0 "[ . 1 . 2]" 1
592 2 75 LEU H 2 76 CYS H 3.160 . 4.520 4.311 3.999 4.450 . 0 0 "[ . 1 . 2]" 1
593 2 76 CYS H 2 77 GLU H 3.240 . 4.680 4.340 3.928 4.488 . 0 0 "[ . 1 . 2]" 1
594 2 77 GLU H 2 78 VAL H 3.020 . 4.240 4.104 4.006 4.287 0.047 11 0 "[ . 1 . 2]" 1
595 2 77 GLU H 2 78 VAL MG2 3.060 . 4.320 3.495 3.400 4.038 . 0 0 "[ . 1 . 2]" 1
596 2 78 VAL H 2 79 GLN H 3.230 . 4.660 4.364 4.318 4.431 . 0 0 "[ . 1 . 2]" 1
597 2 78 VAL MG1 2 79 GLN H 2.360 . 2.920 2.354 2.273 2.430 . 0 0 "[ . 1 . 2]" 1
598 2 78 VAL MG1 2 80 GLN H 3.190 . 4.580 2.929 2.771 3.303 . 0 0 "[ . 1 . 2]" 1
599 2 78 VAL MG2 2 79 GLN H 3.380 . 4.960 3.964 3.776 4.022 . 0 0 "[ . 1 . 2]" 1
600 2 78 VAL MG2 2 114 ILE H 2.990 . 4.180 2.690 2.532 2.987 . 0 0 "[ . 1 . 2]" 1
601 2 79 GLN H 2 80 GLN H 2.930 . 4.060 3.873 3.752 4.180 0.120 3 0 "[ . 1 . 2]" 1
602 2 80 GLN H 2 81 GLY H 3.140 . 4.480 4.197 4.112 4.258 . 0 0 "[ . 1 . 2]" 1
603 2 80 GLN H 2 110 ALA MB 3.180 . 4.560 3.383 3.184 3.560 . 0 0 "[ . 1 . 2]" 1
604 2 81 GLY H 2 82 GLY H 3.270 . 4.740 4.540 4.479 4.565 . 0 0 "[ . 1 . 2]" 1
605 2 82 GLY H 2 83 ILE H 3.220 . 4.640 4.030 3.931 4.233 . 0 0 "[ . 1 . 2]" 1
606 2 82 GLY H 2 84 PHE QE 3.220 . 4.640 4.242 3.858 4.599 . 0 0 "[ . 1 . 2]" 1
607 2 83 ILE H 2 84 PHE H 3.290 . 4.780 4.453 4.367 4.543 . 0 0 "[ . 1 . 2]" 1
608 2 84 PHE H 2 85 SER H 3.240 . 4.680 4.340 4.238 4.453 . 0 0 "[ . 1 . 2]" 1
609 2 84 PHE QD 2 85 SER H 3.220 . 4.640 4.148 3.796 4.528 . 0 0 "[ . 1 . 2]" 1
610 2 85 SER H 2 86 ILE H 2.880 . 3.960 4.145 4.007 4.270 0.310 4 0 "[ . 1 . 2]" 1
611 2 86 ILE H 2 87 ALA H 3.230 . 4.660 4.409 4.273 4.523 . 0 0 "[ . 1 . 2]" 1
612 2 87 ALA H 2 88 GLY H 3.130 . 4.460 4.373 4.330 4.428 . 0 0 "[ . 1 . 2]" 1
613 2 87 ALA H 2 89 ILE H 2.930 . 4.060 4.062 3.767 4.653 0.593 10 1 "[ . + . 2]" 1
614 2 87 ALA MB 2 88 GLY H 2.790 . 3.780 2.430 2.280 2.609 . 0 0 "[ . 1 . 2]" 1
615 2 88 GLY H 2 89 ILE H 2.410 . 3.020 3.364 2.959 3.760 0.740 12 5 "[ * - * + * 2]" 1
616 2 89 ILE H 2 90 GLU H 3.330 . 4.860 4.613 4.564 4.678 . 0 0 "[ . 1 . 2]" 1
617 2 90 GLU H 2 91 GLY H 3.180 . 4.560 4.316 4.183 4.401 . 0 0 "[ . 1 . 2]" 1
618 2 90 GLU H 2 93 GLN H 3.490 . 5.180 3.965 3.560 4.651 . 0 0 "[ . 1 . 2]" 1
619 2 90 GLU H 2 94 MET H 2.900 . 4.000 3.267 2.781 3.932 . 0 0 "[ . 1 . 2]" 1
620 2 91 GLY H 2 92 THR H 3.220 . 4.640 4.470 4.319 4.576 . 0 0 "[ . 1 . 2]" 1
621 2 91 GLY H 2 94 MET H 3.390 . 4.980 4.087 3.705 4.587 . 0 0 "[ . 1 . 2]" 1
622 2 92 THR H 2 93 GLN H 1.990 . 2.180 2.519 2.284 2.692 0.512 8 1 "[ . + 1 . 2]" 1
623 2 92 THR H 2 94 MET H 2.900 . 4.000 4.187 3.890 4.522 0.522 11 1 "[ . 1+ . 2]" 1
624 2 92 THR H 2 95 ALA H 3.430 . 5.060 4.916 4.510 5.649 0.589 9 1 "[ . +1 . 2]" 1
625 2 93 GLN H 2 94 MET H 2.360 . 2.920 2.586 2.412 2.789 . 0 0 "[ . 1 . 2]" 1
626 2 93 GLN H 2 95 ALA H 3.140 . 4.480 4.050 3.826 4.289 . 0 0 "[ . 1 . 2]" 1
627 2 93 GLN H 2 96 HIS H 3.470 . 5.140 4.908 4.570 5.498 0.358 9 0 "[ . 1 . 2]" 1
628 2 94 MET H 2 95 ALA H 2.240 . 2.680 2.558 2.361 2.715 0.035 2 0 "[ . 1 . 2]" 1
629 2 94 MET H 2 96 HIS H 3.020 . 4.240 4.065 3.812 4.358 0.118 10 0 "[ . 1 . 2]" 1
630 2 94 MET H 2 97 CYS H 3.410 . 5.020 4.761 4.479 5.287 0.267 19 0 "[ . 1 . 2]" 1
631 2 94 MET ME 2 98 LEU QD 2.660 . 3.520 2.762 1.846 4.699 1.179 20 2 "[ -. 1 . +]" 1
632 2 95 ALA H 2 96 HIS H 2.280 . 2.760 2.662 2.515 2.771 0.011 12 0 "[ . 1 . 2]" 1
633 2 95 ALA H 2 97 CYS H 3.130 . 4.460 4.046 3.797 4.230 . 0 0 "[ . 1 . 2]" 1
634 2 95 ALA H 2 98 LEU H 3.410 . 5.020 5.105 4.818 5.296 0.276 4 0 "[ . 1 . 2]" 1
635 2 95 ALA H 2 98 LEU QD 3.350 . 4.900 4.541 3.758 6.192 1.292 15 3 "[ - 1 *+ 2]" 1
636 2 95 ALA MB 2 96 HIS H 2.690 . 3.580 2.745 2.569 2.940 . 0 0 "[ . 1 . 2]" 1
637 2 96 HIS H 2 97 CYS H 2.250 . 2.700 2.489 2.348 2.675 . 0 0 "[ . 1 . 2]" 1
638 2 96 HIS H 2 98 LEU H 3.120 . 4.440 4.601 4.078 4.797 0.357 4 0 "[ . 1 . 2]" 1
639 2 96 HIS H 2 99 GLY H 3.250 . 4.700 4.612 4.298 4.861 0.161 6 0 "[ . 1 . 2]" 1
640 2 97 CYS H 2 98 LEU H 2.330 . 2.860 2.821 2.551 2.996 0.136 17 0 "[ . 1 . 2]" 1
641 2 97 CYS H 2 99 GLY H 2.800 . 3.800 3.732 3.489 4.039 0.239 10 0 "[ . 1 . 2]" 1
642 2 97 CYS H 2 100 ALA H 3.430 . 5.060 4.746 4.309 4.967 . 0 0 "[ . 1 . 2]" 1
643 2 97 CYS H 2 101 TYR H 3.410 . 5.020 4.925 4.548 5.319 0.299 8 0 "[ . 1 . 2]" 1
644 2 98 LEU H 2 99 GLY H 2.230 . 2.660 2.491 2.146 2.715 0.055 12 0 "[ . 1 . 2]" 1
645 2 98 LEU H 2 100 ALA H 3.070 . 4.340 4.197 3.659 4.401 0.061 12 0 "[ . 1 . 2]" 1
646 2 98 LEU H 2 101 TYR H 3.400 . 5.000 4.915 4.302 5.206 0.206 3 0 "[ . 1 . 2]" 1
647 2 98 LEU H 2 102 CYS H 3.380 . 4.960 4.887 4.663 5.148 0.188 8 0 "[ . 1 . 2]" 1
648 2 98 LEU QD 2 99 GLY H 3.310 . 4.820 2.691 2.153 3.992 . 0 0 "[ . 1 . 2]" 1
649 2 99 GLY H 2 100 ALA H 2.020 . 2.240 2.421 2.279 2.644 0.404 14 0 "[ . 1 . 2]" 1
650 2 99 GLY H 2 100 ALA MB 3.380 . 4.960 4.142 3.888 4.321 . 0 0 "[ . 1 . 2]" 1
651 2 99 GLY H 2 101 TYR H 2.830 . 3.860 4.085 3.870 4.421 0.561 3 1 "[ + . 1 . 2]" 1
652 2 99 GLY H 2 102 CYS H 3.090 . 4.380 4.668 4.452 4.963 0.583 5 3 "[ + 1 *. -2]" 1
653 2 100 ALA H 2 101 TYR H 2.010 . 2.220 2.171 2.041 2.493 0.273 3 0 "[ . 1 . 2]" 1
654 2 100 ALA H 2 102 CYS H 2.480 . 3.160 3.460 3.084 3.705 0.545 18 6 "[ * * ** - + 2]" 1
655 2 100 ALA MB 2 101 TYR H 2.530 . 3.260 2.381 2.161 2.551 . 0 0 "[ . 1 . 2]" 1
656 2 100 ALA MB 2 133 PHE H 3.480 . 5.160 4.475 3.475 5.260 0.100 1 0 "[ . 1 . 2]" 1
657 2 100 ALA MB 2 133 PHE QD 3.280 . 4.760 4.090 1.858 5.025 0.265 1 0 "[ . 1 . 2]" 1
658 2 100 ALA MB 2 134 ASP H 2.910 . 4.020 3.034 2.476 3.542 . 0 0 "[ . 1 . 2]" 1
659 2 101 TYR H 2 102 CYS H 2.320 . 2.840 2.691 2.506 2.869 0.029 5 0 "[ . 1 . 2]" 1
660 2 101 TYR QD 2 102 CYS H 3.110 . 4.420 3.604 3.089 3.938 . 0 0 "[ . 1 . 2]" 1
661 2 109 TYR H 2 110 ALA H 2.230 . 2.660 2.644 2.568 2.753 0.093 7 0 "[ . 1 . 2]" 1
662 2 109 TYR H 2 111 ARG H 2.990 . 4.180 3.924 3.744 4.099 . 0 0 "[ . 1 . 2]" 1
663 2 109 TYR QD 2 110 ALA H 3.400 . 5.000 3.953 3.819 4.226 . 0 0 "[ . 1 . 2]" 1
664 2 110 ALA H 2 111 ARG H 2.140 . 2.480 2.627 2.532 2.713 0.233 19 0 "[ . 1 . 2]" 1
665 2 110 ALA H 2 112 GLU H 3.120 . 4.440 4.487 4.331 4.720 0.280 17 0 "[ . 1 . 2]" 1
666 2 110 ALA H 2 113 CYS H 3.470 . 5.140 4.885 4.776 5.004 . 0 0 "[ . 1 . 2]" 1
667 2 110 ALA MB 2 111 ARG H 2.680 . 3.560 2.578 2.397 2.764 . 0 0 "[ . 1 . 2]" 1
668 2 111 ARG H 2 112 GLU H 2.380 . 2.960 2.843 2.584 2.964 0.004 9 0 "[ . 1 . 2]" 1
669 2 111 ARG H 2 113 CYS H 3.050 . 4.300 4.010 3.865 4.244 . 0 0 "[ . 1 . 2]" 1
670 2 112 GLU H 2 113 CYS H 2.320 . 2.840 2.607 2.537 2.715 . 0 0 "[ . 1 . 2]" 1
671 2 112 GLU H 2 114 ILE H 3.420 . 5.040 4.293 4.128 4.462 . 0 0 "[ . 1 . 2]" 1
672 2 112 GLU H 2 115 THR H 3.410 . 5.020 4.832 4.718 5.027 0.007 14 0 "[ . 1 . 2]" 1
673 2 113 CYS H 2 114 ILE H 2.440 . 3.080 2.651 2.589 2.740 . 0 0 "[ . 1 . 2]" 1
674 2 113 CYS H 2 115 THR H 2.920 . 4.040 4.100 3.855 4.241 0.201 18 0 "[ . 1 . 2]" 1
675 2 113 CYS H 2 116 SER H 3.270 . 4.740 4.653 4.530 4.865 0.125 14 0 "[ . 1 . 2]" 1
676 2 114 ILE H 2 115 THR H 2.330 . 2.860 2.639 2.551 2.722 . 0 0 "[ . 1 . 2]" 1
677 2 114 ILE H 2 116 SER H 3.100 . 4.400 3.992 3.866 4.124 . 0 0 "[ . 1 . 2]" 1
678 2 114 ILE H 2 117 MET H 3.410 . 5.020 4.920 4.778 5.089 0.069 14 0 "[ . 1 . 2]" 1
679 2 115 THR H 2 116 SER H 2.210 . 2.620 2.698 2.627 2.764 0.144 17 0 "[ . 1 . 2]" 1
680 2 115 THR H 2 117 MET H 3.030 . 4.260 4.332 4.198 4.454 0.194 19 0 "[ . 1 . 2]" 1
681 2 116 SER H 2 117 MET H 2.210 . 2.620 2.653 2.552 2.772 0.152 14 0 "[ . 1 . 2]" 1
682 2 116 SER H 2 118 VAL H 3.280 . 4.760 4.152 3.888 4.301 . 0 0 "[ . 1 . 2]" 1
683 2 116 SER H 2 119 SER H 3.470 . 5.140 4.757 4.576 4.936 . 0 0 "[ . 1 . 2]" 1
684 2 117 MET H 2 118 VAL H 2.470 . 3.140 2.580 2.519 2.762 . 0 0 "[ . 1 . 2]" 1
685 2 117 MET H 2 118 VAL QG 3.490 . 5.180 3.919 3.774 4.095 . 0 0 "[ . 1 . 2]" 1
686 2 117 MET H 2 119 SER H 3.040 . 4.280 4.024 3.852 4.143 . 0 0 "[ . 1 . 2]" 1
687 2 118 VAL H 2 119 SER H 2.360 . 2.920 2.622 2.572 2.678 . 0 0 "[ . 1 . 2]" 1
688 2 118 VAL QG 2 119 SER H 2.350 . 2.900 3.158 2.322 3.341 0.441 20 0 "[ . 1 . 2]" 1
689 2 118 VAL QG 2 121 GLY H 3.490 . 5.180 4.356 4.195 4.477 . 0 0 "[ . 1 . 2]" 1
690 2 118 VAL QG 2 123 PHE H 3.040 . 4.280 3.449 3.138 3.895 . 0 0 "[ . 1 . 2]" 1
691 2 118 VAL QG 2 123 PHE QD 3.240 . 4.680 3.065 2.097 3.621 . 0 0 "[ . 1 . 2]" 1
692 2 118 VAL QG 2 126 LEU H 2.930 . 4.060 3.518 2.305 4.370 0.310 20 0 "[ . 1 . 2]" 1
693 2 119 SER H 2 121 GLY H 3.070 . 4.340 4.026 3.878 4.158 . 0 0 "[ . 1 . 2]" 1
694 2 121 GLY H 2 122 THR H 2.340 . 2.880 2.626 2.491 2.755 . 0 0 "[ . 1 . 2]" 1
695 2 121 GLY H 2 123 PHE H 2.820 . 3.840 3.980 3.561 4.422 0.582 10 1 "[ . + . 2]" 1
696 2 122 THR H 2 123 PHE H 2.400 . 3.000 2.733 2.640 2.862 . 0 0 "[ . 1 . 2]" 1
697 2 125 GLN H 2 126 LEU H 3.340 . 4.880 4.536 4.379 4.640 . 0 0 "[ . 1 . 2]" 1
698 2 125 GLN H 3 125 GLN H 2.740 . 3.680 3.293 2.483 4.092 0.412 5 0 "[ . 1 . 2]" 1
699 2 126 LEU H 2 127 ASN H 3.110 . 4.420 3.922 3.403 4.380 . 0 0 "[ . 1 . 2]" 1
700 2 126 LEU QD 2 127 ASN H 3.430 . 5.060 3.229 2.584 4.478 . 0 0 "[ . 1 . 2]" 1
701 2 126 LEU QD 2 128 LEU H 3.120 . 4.440 4.054 2.602 5.091 0.651 20 2 "[ .- 1 . +]" 1
702 2 127 ASN H 2 128 LEU H 3.180 . 4.560 4.286 3.955 4.480 . 0 0 "[ . 1 . 2]" 1
703 2 128 LEU H 2 129 ALA H 3.240 . 4.680 4.562 4.344 4.647 . 0 0 "[ . 1 . 2]" 1
704 2 128 LEU QD 2 129 ALA H 2.470 . 3.150 2.411 1.741 3.606 0.456 12 0 "[ . 1 . 2]" 1
705 2 128 LEU QD 2 129 ALA MB 3.380 . 4.960 3.542 2.694 4.711 . 0 0 "[ . 1 . 2]" 1
706 2 128 LEU QD 2 131 VAL MG2 3.440 . 5.080 3.439 2.266 5.152 0.072 19 0 "[ . 1 . 2]" 1
707 2 131 VAL MG1 2 133 PHE H 3.470 . 5.140 3.545 2.984 4.199 . 0 0 "[ . 1 . 2]" 1
708 2 131 VAL MG1 2 133 PHE QD 3.510 . 5.220 3.371 2.869 3.818 . 0 0 "[ . 1 . 2]" 1
709 2 131 VAL MG1 2 133 PHE QE 3.430 . 5.060 3.304 2.784 4.855 . 0 0 "[ . 1 . 2]" 1
710 2 133 PHE H 2 134 ASP H 2.280 . 2.760 2.589 2.277 2.753 . 0 0 "[ . 1 . 2]" 1
711 2 133 PHE H 2 135 ALA H 3.150 . 4.500 4.363 4.143 4.615 0.115 1 0 "[ . 1 . 2]" 1
712 2 133 PHE QD 2 134 ASP H 3.380 . 4.960 4.170 3.931 4.363 . 0 0 "[ . 1 . 2]" 1
713 2 134 ASP H 2 135 ALA H 2.320 . 2.840 2.750 2.583 2.971 0.131 4 0 "[ . 1 . 2]" 1
714 2 134 ASP H 2 136 LEU H 3.150 . 4.500 4.227 3.942 4.834 0.334 6 0 "[ . 1 . 2]" 1
715 2 135 ALA H 2 136 LEU H 2.390 . 2.980 2.673 2.556 2.916 . 0 0 "[ . 1 . 2]" 1
716 2 135 ALA H 2 137 PHE H 3.300 . 4.800 4.228 3.944 4.603 . 0 0 "[ . 1 . 2]" 1
717 2 135 ALA H 2 138 MET H 3.360 . 4.920 4.761 4.540 4.991 0.071 3 0 "[ . 1 . 2]" 1
718 2 135 ALA MB 2 136 LEU H 2.620 . 3.440 2.592 2.300 2.754 . 0 0 "[ . 1 . 2]" 1
719 2 136 LEU H 2 137 PHE H 2.390 . 2.980 2.679 2.478 2.892 . 0 0 "[ . 1 . 2]" 1
720 2 136 LEU H 2 138 MET H 2.990 . 4.180 4.030 3.824 4.380 0.200 19 0 "[ . 1 . 2]" 1
721 2 136 LEU QD 2 137 PHE H 2.820 . 3.840 3.801 3.073 4.237 0.397 15 0 "[ . 1 . 2]" 1
722 2 136 LEU QD 2 137 PHE QD 3.150 . 4.500 4.710 3.229 6.090 1.590 3 8 "[ *+ .** -1 * * *2]" 1
723 2 136 LEU QD 2 137 PHE QE 3.350 . 4.900 5.731 2.774 7.637 2.737 6 14 "[****.+* ** * -*** *2]" 1
724 2 137 PHE H 2 138 MET H 2.300 . 2.800 2.559 2.259 2.754 . 0 0 "[ . 1 . 2]" 1
725 2 137 PHE H 2 139 ASN H 3.140 . 4.480 4.170 3.826 4.410 . 0 0 "[ . 1 . 2]" 1
726 2 137 PHE H 2 140 TYR H 3.470 . 5.140 4.949 4.560 5.432 0.292 3 0 "[ . 1 . 2]" 1
727 2 137 PHE QD 2 138 MET H 3.400 . 5.000 4.371 3.877 4.734 . 0 0 "[ . 1 . 2]" 1
728 2 138 MET H 2 139 ASN H 2.360 . 2.920 2.600 2.394 2.750 . 0 0 "[ . 1 . 2]" 1
729 2 138 MET H 2 140 TYR H 3.090 . 4.380 3.985 3.796 4.220 . 0 0 "[ . 1 . 2]" 1
730 2 138 MET H 2 141 LEU H 3.470 . 5.140 5.011 4.709 5.515 0.375 17 0 "[ . 1 . 2]" 1
731 2 139 ASN H 2 140 TYR H 2.200 . 2.600 2.485 2.351 2.596 . 0 0 "[ . 1 . 2]" 1
732 2 139 ASN H 2 141 LEU H 3.010 . 4.220 4.082 3.858 4.670 0.450 5 0 "[ . 1 . 2]" 1
733 2 140 TYR H 2 141 LEU H 2.270 . 2.740 2.521 2.200 2.701 . 0 0 "[ . 1 . 2]" 1
734 2 140 TYR QD 2 141 LEU H 3.310 . 4.820 3.982 3.509 4.252 . 0 0 "[ . 1 . 2]" 1
735 3 9 MET H 3 10 THR H 3.190 . 4.580 3.761 3.637 4.148 . 0 0 "[ . 1 . 2]" 1
736 3 10 THR H 3 11 PHE H 3.080 . 4.360 4.013 3.832 4.236 . 0 0 "[ . 1 . 2]" 1
737 3 10 THR H 3 87 ALA H 2.950 . 4.100 3.263 2.737 4.037 . 0 0 "[ . 1 . 2]" 1
738 3 11 PHE H 3 12 GLN H 3.240 . 4.680 4.399 4.199 4.580 . 0 0 "[ . 1 . 2]" 1
739 3 11 PHE QD 3 12 GLN H 2.500 . 3.200 3.592 3.180 3.900 0.700 20 7 "[ * 1* * *- *+]" 1
740 3 11 PHE QE 3 12 GLN H 3.070 . 4.340 4.553 4.002 4.960 0.620 20 2 "[ . 1 - . +]" 1
741 3 11 PHE QE 3 13 ILE H 3.440 . 5.080 4.437 3.374 4.870 . 0 0 "[ . 1 . 2]" 1
742 3 11 PHE QE 3 101 TYR QD 3.170 . 4.540 3.403 3.075 3.790 . 0 0 "[ . 1 . 2]" 1
743 3 11 PHE QE 3 101 TYR QE 3.300 . 4.800 2.774 1.968 3.523 . 0 0 "[ . 1 . 2]" 1
744 3 12 GLN H 3 13 ILE H 2.880 . 3.960 4.219 3.914 4.353 0.393 20 0 "[ . 1 . 2]" 1
745 3 12 GLN H 3 85 SER H 3.090 . 4.380 3.382 2.925 3.716 . 0 0 "[ . 1 . 2]" 1
746 3 13 ILE H 3 14 GLN H 3.290 . 4.780 4.463 4.160 4.607 . 0 0 "[ . 1 . 2]" 1
747 3 14 GLN H 3 15 ARG H 2.150 . 2.500 2.347 2.141 2.647 0.147 6 0 "[ . 1 . 2]" 1
748 3 14 GLN H 3 83 ILE H 3.520 . 5.240 4.751 4.420 4.945 . 0 0 "[ . 1 . 2]" 1
749 3 14 GLN H 3 84 PHE QD 3.280 . 4.760 3.629 3.013 4.490 . 0 0 "[ . 1 . 2]" 1
750 3 14 GLN H 3 85 SER H 3.040 . 4.280 4.169 3.534 4.927 0.647 12 1 "[ . 1 + . 2]" 1
751 3 15 ARG H 3 16 ILE H 3.120 . 4.440 4.076 3.970 4.288 . 0 0 "[ . 1 . 2]" 1
752 3 15 ARG H 3 83 ILE H 2.770 . 3.740 3.296 3.046 3.393 . 0 0 "[ . 1 . 2]" 1
753 3 16 ILE H 3 17 TYR H 3.240 . 4.680 4.487 4.333 4.551 . 0 0 "[ . 1 . 2]" 1
754 3 17 TYR H 3 18 THR H 3.180 . 4.560 4.289 4.131 4.368 . 0 0 "[ . 1 . 2]" 1
755 3 17 TYR H 3 81 GLY H 3.070 . 4.340 3.878 3.517 4.115 . 0 0 "[ . 1 . 2]" 1
756 3 17 TYR H 3 82 GLY H 3.460 . 5.120 5.074 4.773 5.224 0.104 6 0 "[ . 1 . 2]" 1
757 3 17 TYR QD 3 18 THR H 2.970 . 4.140 3.797 3.363 4.106 . 0 0 "[ . 1 . 2]" 1
758 3 17 TYR QD 4 32 PHE QE 3.140 . 4.480 3.309 2.939 3.653 . 0 0 "[ . 1 . 2]" 1
759 3 17 TYR QE 3 82 GLY H 3.390 . 4.980 4.960 4.617 5.369 0.389 1 0 "[ . 1 . 2]" 1
760 3 17 TYR QE 3 83 ILE H 3.160 . 4.520 3.106 2.702 3.585 . 0 0 "[ . 1 . 2]" 1
761 3 17 TYR QE 4 28 ALA MB 3.150 . 4.500 1.795 1.666 2.009 0.134 16 0 "[ . 1 . 2]" 1
762 3 17 TYR QE 4 32 PHE QE 3.210 . 4.620 2.905 2.497 3.100 . 0 0 "[ . 1 . 2]" 1
763 3 18 THR H 3 19 LYS H 3.290 . 4.780 4.351 4.237 4.480 . 0 0 "[ . 1 . 2]" 1
764 3 18 THR H 3 81 GLY H 3.300 . 4.800 4.877 4.602 5.075 0.275 14 0 "[ . 1 . 2]" 1
765 3 18 THR H 4 121 GLY H 3.380 . 4.960 4.378 4.239 4.625 . 0 0 "[ . 1 . 2]" 1
766 3 18 THR H 4 122 THR H 3.490 . 5.180 4.645 4.372 4.953 . 0 0 "[ . 1 . 2]" 1
767 3 19 LYS H 3 20 ASP H 2.050 . 2.300 2.462 2.325 2.577 0.277 2 0 "[ . 1 . 2]" 1
768 3 19 LYS H 3 59 VAL MG1 3.330 . 4.860 4.521 3.992 5.301 0.441 8 0 "[ . 1 . 2]" 1
769 3 19 LYS H 3 79 GLN H 3.330 . 4.860 4.894 4.462 5.247 0.387 5 0 "[ . 1 . 2]" 1
770 3 19 LYS H 3 81 GLY H 2.340 . 2.880 2.482 2.247 2.696 . 0 0 "[ . 1 . 2]" 1
771 3 20 ASP H 3 21 ILE H 3.200 . 4.600 4.230 4.014 4.299 . 0 0 "[ . 1 . 2]" 1
772 3 20 ASP H 3 59 VAL MG1 3.240 . 4.680 5.070 4.624 5.442 0.762 8 6 "[* * . -+ * * 2]" 1
773 3 20 ASP H 3 79 GLN H 2.830 . 3.860 3.223 2.928 3.500 . 0 0 "[ . 1 . 2]" 1
774 3 20 ASP H 3 81 GLY H 3.340 . 4.880 4.702 4.347 5.034 0.154 16 0 "[ . 1 . 2]" 1
775 3 21 ILE H 3 22 SER H 3.040 . 4.280 4.297 4.242 4.379 0.099 14 0 "[ . 1 . 2]" 1
776 3 21 ILE H 3 79 GLN H 3.460 . 5.120 4.712 4.593 4.916 . 0 0 "[ . 1 . 2]" 1
777 3 21 ILE H 4 23 PHE H 2.510 . 3.220 2.931 2.748 3.048 . 0 0 "[ . 1 . 2]" 1
778 3 22 SER H 3 23 PHE H 3.190 . 4.580 4.264 4.221 4.295 . 0 0 "[ . 1 . 2]" 1
779 3 22 SER H 3 77 GLU H 2.820 . 3.840 3.277 3.027 3.599 . 0 0 "[ . 1 . 2]" 1
780 3 22 SER H 3 78 VAL H 3.450 . 5.100 5.028 4.790 5.237 0.137 2 0 "[ . 1 . 2]" 1
781 3 22 SER H 3 78 VAL MG2 3.410 . 5.020 3.092 2.785 3.393 . 0 0 "[ . 1 . 2]" 1
782 3 22 SER H 3 79 GLN H 3.350 . 4.900 5.292 4.977 5.697 0.797 3 3 "[ *+ . 1 - 2]" 1
783 3 23 PHE H 3 24 GLU H 2.940 . 4.080 3.971 3.774 4.214 0.134 1 0 "[ . 1 . 2]" 1
784 3 23 PHE H 4 21 ILE H 2.850 . 3.900 2.701 2.530 2.937 . 0 0 "[ . 1 . 2]" 1
785 3 23 PHE QD 3 24 GLU H 2.940 . 4.080 3.767 3.441 4.084 0.004 16 0 "[ . 1 . 2]" 1
786 3 23 PHE QD 4 21 ILE H 3.410 . 5.020 4.040 3.611 4.315 . 0 0 "[ . 1 . 2]" 1
787 3 23 PHE QE 3 25 ALA MB 3.220 . 4.640 2.615 2.262 2.979 . 0 0 "[ . 1 . 2]" 1
788 3 23 PHE QE 3 121 GLY H 3.330 . 4.860 3.894 3.718 4.115 . 0 0 "[ . 1 . 2]" 1
789 3 24 GLU H 3 25 ALA H 3.260 . 4.720 4.226 4.067 4.377 . 0 0 "[ . 1 . 2]" 1
790 3 24 GLU H 3 75 LEU H 2.840 . 3.880 3.227 2.756 3.656 . 0 0 "[ . 1 . 2]" 1
791 3 24 GLU H 3 75 LEU MD1 3.400 . 5.000 3.518 3.013 4.136 . 0 0 "[ . 1 . 2]" 1
792 3 24 GLU H 4 21 ILE H 3.500 . 5.200 4.988 4.819 5.125 . 0 0 "[ . 1 . 2]" 1
793 3 25 ALA H 4 21 ILE H 3.500 . 5.200 5.268 4.864 5.886 0.686 1 1 "[+ . 1 . 2]" 1
794 3 25 ALA MB 3 27 ASN H 3.460 . 5.120 3.854 3.496 4.340 . 0 0 "[ . 1 . 2]" 1
795 3 25 ALA MB 3 28 ALA H 3.230 . 4.660 3.286 3.017 3.540 . 0 0 "[ . 1 . 2]" 1
796 3 25 ALA MB 3 28 ALA MB 3.020 . 4.240 2.007 1.858 2.257 . 0 0 "[ . 1 . 2]" 1
797 3 27 ASN H 3 28 ALA H 2.420 . 3.040 2.774 2.434 3.110 0.070 19 0 "[ . 1 . 2]" 1
798 3 28 ALA H 3 30 HIS H 2.940 . 4.080 4.153 3.914 4.487 0.407 14 0 "[ . 1 . 2]" 1
799 3 28 ALA H 3 31 VAL H 3.500 . 5.200 4.923 4.745 5.069 . 0 0 "[ . 1 . 2]" 1
800 3 28 ALA MB 4 17 TYR QD 3.490 . 5.180 2.894 2.432 3.344 . 0 0 "[ . 1 . 2]" 1
801 3 28 ALA MB 4 17 TYR QE 3.150 . 4.500 1.924 1.585 2.365 0.215 15 0 "[ . 1 . 2]" 1
802 3 30 HIS H 3 31 VAL H 2.290 . 2.780 2.657 2.594 2.789 0.009 18 0 "[ . 1 . 2]" 1
803 3 30 HIS H 3 32 PHE H 3.180 . 4.560 4.332 3.750 4.776 0.216 11 0 "[ . 1 . 2]" 1
804 3 31 VAL H 3 32 PHE H 2.360 . 2.920 2.644 2.343 2.977 0.057 11 0 "[ . 1 . 2]" 1
805 3 31 VAL H 3 33 GLN H 3.240 . 4.680 4.405 4.084 4.658 . 0 0 "[ . 1 . 2]" 1
806 3 31 VAL QG 3 32 PHE H 2.430 . 3.060 2.778 2.356 3.543 0.483 16 0 "[ . 1 . 2]" 1
807 3 31 VAL QG 3 32 PHE QD 3.400 . 5.000 3.779 2.035 5.363 0.363 16 0 "[ . 1 . 2]" 1
808 3 31 VAL QG 3 36 TRP HE3 3.200 . 4.600 4.306 3.440 7.260 2.660 13 4 "[ .* 1 + - * 2]" 1
809 3 31 VAL QG 3 123 PHE QE 3.220 . 4.640 2.297 1.674 4.095 0.126 1 0 "[ . 1 . 2]" 1
810 3 32 PHE H 3 33 GLN H 2.360 . 2.920 2.655 2.530 2.850 . 0 0 "[ . 1 . 2]" 1
811 3 32 PHE H 3 34 LYS H 3.300 . 4.800 4.210 3.789 4.759 . 0 0 "[ . 1 . 2]" 1
812 3 32 PHE QD 3 33 GLN H 3.410 . 5.020 4.449 3.954 4.911 . 0 0 "[ . 1 . 2]" 1
813 3 33 GLN H 3 34 LYS H 2.440 . 3.080 2.600 2.090 3.074 . 0 0 "[ . 1 . 2]" 1
814 3 34 LYS H 3 35 ASP H 3.220 . 4.640 4.535 4.459 4.628 . 0 0 "[ . 1 . 2]" 1
815 3 34 LYS H 3 36 TRP HZ3 3.420 . 5.040 5.308 3.034 8.535 3.495 6 7 "[* .+* 1 ** - * 2]" 1
816 3 35 ASP H 3 36 TRP H 3.290 . 4.780 4.556 4.474 4.603 . 0 0 "[ . 1 . 2]" 1
817 3 35 ASP H 3 68 LEU QD 2.860 . 3.920 3.492 2.828 4.275 0.355 14 0 "[ . 1 . 2]" 1
818 3 36 TRP H 3 37 GLN H 2.880 . 3.960 3.867 3.542 4.229 0.269 19 0 "[ . 1 . 2]" 1
819 3 36 TRP HE3 3 37 GLN H 3.240 . 4.680 4.882 3.947 6.503 1.823 6 7 "[* .+* 1 -* * * 2]" 1
820 3 37 GLN H 3 68 LEU QD 2.860 . 3.920 2.574 1.827 3.167 . 0 0 "[ . 1 . 2]" 1
821 3 39 GLU H 3 40 VAL H 2.920 . 4.040 4.054 3.759 4.388 0.348 11 0 "[ . 1 . 2]" 1
822 3 39 GLU H 3 66 ALA MB 3.430 . 5.060 4.887 4.117 5.775 0.715 6 1 "[ .+ 1 . 2]" 1
823 3 39 GLU H 3 67 SER H 2.180 . 2.560 3.136 2.525 3.759 1.199 6 13 "[* ***+* *1 ** ***- 2]" 1
824 3 39 GLU H 3 68 LEU H 3.350 . 4.900 4.402 3.720 4.946 0.046 13 0 "[ . 1 . 2]" 1
825 3 39 GLU H 3 68 LEU QD 3.510 . 5.220 3.870 3.257 4.225 . 0 0 "[ . 1 . 2]" 1
826 3 40 VAL H 3 41 LYS H 3.300 . 4.800 4.407 4.184 4.649 . 0 0 "[ . 1 . 2]" 1
827 3 40 VAL MG1 3 41 LYS H 2.630 . 3.460 3.455 2.543 4.322 0.862 10 4 "[ .*- + * 2]" 1
828 3 40 VAL MG1 3 64 VAL QG 2.720 . 3.640 2.966 1.962 4.585 0.945 6 3 "[ .+ * . - 2]" 1
829 3 40 VAL MG2 3 41 LYS H 3.490 . 5.180 3.917 2.335 4.342 . 0 0 "[ . 1 . 2]" 1
830 3 41 LYS H 3 42 LEU H 3.240 . 4.680 4.243 3.980 4.533 . 0 0 "[ . 1 . 2]" 1
831 3 41 LYS H 3 64 VAL QG 2.990 . 4.180 3.954 2.762 4.682 0.502 2 1 "[ + . 1 . 2]" 1
832 3 41 LYS H 3 65 THR H 2.530 . 3.260 3.267 2.354 3.875 0.615 7 1 "[ . + 1 . 2]" 1
833 3 42 LEU H 3 43 ASP H 3.280 . 4.760 4.479 4.221 4.576 . 0 0 "[ . 1 . 2]" 1
834 3 42 LEU QD 3 43 ASP H 2.290 . 2.780 2.850 2.210 4.439 1.659 19 4 "[ * * - . +2]" 1
835 3 42 LEU QD 3 44 LEU QD . . 3.240 3.037 1.763 4.869 1.629 19 4 "[ * . * - . +2]" 1
836 3 42 LEU QD 3 62 VAL MG1 3.160 . 4.520 2.780 1.974 4.712 0.192 19 0 "[ . 1 . 2]" 1
837 3 42 LEU QD 3 64 VAL QG 3.470 . 5.140 3.043 1.956 4.370 . 0 0 "[ . 1 . 2]" 1
838 3 42 LEU QD 3 128 LEU QD 2.830 . 3.860 1.890 1.603 2.339 0.197 1 0 "[ . 1 . 2]" 1
839 3 43 ASP H 3 44 LEU H 2.910 . 4.020 4.168 3.953 4.431 0.411 2 0 "[ . 1 . 2]" 1
840 3 43 ASP H 3 44 LEU QD 2.930 . 4.060 4.771 2.823 5.933 1.873 9 13 "[ ***. **+- ** ** **2]" 1
841 3 43 ASP H 3 63 THR H 2.830 . 3.860 3.070 2.664 3.647 . 0 0 "[ . 1 . 2]" 1
842 3 44 LEU H 3 45 ASP H 3.270 . 4.740 4.327 4.034 4.585 . 0 0 "[ . 1 . 2]" 1
843 3 44 LEU H 3 63 THR H 3.470 . 5.140 4.994 4.764 5.246 0.106 16 0 "[ . 1 . 2]" 1
844 3 44 LEU QD 3 45 ASP H 3.460 . 5.120 3.229 2.115 4.462 . 0 0 "[ . 1 . 2]" 1
845 3 44 LEU QD 3 62 VAL MG1 3.040 . 4.280 3.374 1.922 4.706 0.426 18 0 "[ . 1 . 2]" 1
846 3 44 LEU QD 3 62 VAL MG2 3.490 . 5.180 3.023 1.989 4.481 . 0 0 "[ . 1 . 2]" 1
847 3 44 LEU QD 3 63 THR H 3.370 . 4.940 4.519 3.201 5.580 0.640 18 1 "[ . 1 . + 2]" 1
848 3 45 ASP H 3 46 THR H 3.230 . 4.660 4.405 4.291 4.466 . 0 0 "[ . 1 . 2]" 1
849 3 45 ASP H 3 61 ARG H 2.680 . 3.570 3.496 2.842 3.951 0.381 14 0 "[ . 1 . 2]" 1
850 3 45 ASP H 3 63 THR H 3.490 . 5.180 4.944 4.407 5.456 0.276 12 0 "[ . 1 . 2]" 1
851 3 46 THR H 3 47 ALA H 3.170 . 4.540 4.308 4.158 4.493 . 0 0 "[ . 1 . 2]" 1
852 3 47 ALA H 3 48 SER H 3.140 . 4.480 4.403 4.269 4.481 0.001 20 0 "[ . 1 . 2]" 1
853 3 47 ALA H 3 59 VAL H 2.850 . 3.900 3.616 3.343 3.850 . 0 0 "[ . 1 . 2]" 1
854 3 47 ALA H 3 61 ARG H 3.430 . 5.060 4.268 3.813 4.755 . 0 0 "[ . 1 . 2]" 1
855 3 47 ALA MB 3 48 SER H 2.800 . 3.800 2.712 2.376 2.929 . 0 0 "[ . 1 . 2]" 1
856 3 47 ALA MB 3 59 VAL H 3.430 . 5.060 3.830 3.567 4.333 . 0 0 "[ . 1 . 2]" 1
857 3 48 SER H 3 49 SER H 3.200 . 4.600 4.355 4.259 4.406 . 0 0 "[ . 1 . 2]" 1
858 3 48 SER H 3 59 VAL H 3.520 . 5.240 4.861 4.498 5.177 . 0 0 "[ . 1 . 2]" 1
859 3 49 SER H 3 50 GLN H 3.110 . 4.410 4.257 4.069 4.411 0.001 20 0 "[ . 1 . 2]" 1
860 3 49 SER H 3 57 GLU H 2.400 . 3.000 3.179 2.976 3.481 0.481 5 0 "[ . 1 . 2]" 1
861 3 50 GLN H 3 51 LEU H 3.320 . 4.840 4.415 4.296 4.548 . 0 0 "[ . 1 . 2]" 1
862 3 50 GLN H 3 57 GLU H 3.340 . 4.880 5.045 4.860 5.381 0.501 3 1 "[ + . 1 . 2]" 1
863 3 51 LEU H 3 52 ALA H 2.080 . 2.360 2.194 2.088 2.343 . 0 0 "[ . 1 . 2]" 1
864 3 51 LEU H 3 55 VAL H 3.180 . 4.560 4.812 4.262 5.001 0.441 10 0 "[ . 1 . 2]" 1
865 3 51 LEU H 3 55 VAL MG1 3.440 . 5.080 3.483 3.183 3.862 . 0 0 "[ . 1 . 2]" 1
866 3 51 LEU H 3 57 GLU H 3.230 . 4.660 3.731 3.486 4.049 . 0 0 "[ . 1 . 2]" 1
867 3 51 LEU MD1 3 52 ALA H 3.450 . 5.100 4.522 4.317 4.838 . 0 0 "[ . 1 . 2]" 1
868 3 51 LEU MD1 3 55 VAL MG1 2.910 . 4.020 2.301 2.035 2.578 . 0 0 "[ . 1 . 2]" 1
869 3 51 LEU MD1 3 57 GLU H 3.490 . 5.180 3.476 3.279 3.908 . 0 0 "[ . 1 . 2]" 1
870 3 51 LEU MD2 3 57 GLU H 3.360 . 4.920 3.866 3.421 4.381 . 0 0 "[ . 1 . 2]" 1
871 3 52 ALA H 3 53 ASP H 3.180 . 4.560 4.326 4.279 4.389 . 0 0 "[ . 1 . 2]" 1
872 3 52 ALA H 3 55 VAL H 2.800 . 3.800 3.546 3.331 3.681 . 0 0 "[ . 1 . 2]" 1
873 3 52 ALA H 3 55 VAL MG1 2.890 . 3.980 3.401 3.167 3.667 . 0 0 "[ . 1 . 2]" 1
874 3 52 ALA H 3 55 VAL MG2 3.150 . 4.500 4.098 3.663 4.434 . 0 0 "[ . 1 . 2]" 1
875 3 52 ALA MB 3 53 ASP H 2.310 . 2.820 1.949 1.796 2.313 0.004 20 0 "[ . 1 . 2]" 1
876 3 52 ALA MB 3 55 VAL MG1 3.490 . 5.180 3.086 2.709 3.316 . 0 0 "[ . 1 . 2]" 1
877 3 52 ALA MB 3 55 VAL MG2 3.010 . 4.220 2.455 2.053 2.764 . 0 0 "[ . 1 . 2]" 1
878 3 53 ASP H 3 54 ASP H 3.270 . 4.740 4.453 4.281 4.550 . 0 0 "[ . 1 . 2]" 1
879 3 53 ASP H 3 55 VAL H 3.340 . 4.880 4.130 3.839 4.446 . 0 0 "[ . 1 . 2]" 1
880 3 53 ASP H 3 55 VAL MG2 3.300 . 4.800 4.126 3.706 4.519 . 0 0 "[ . 1 . 2]" 1
881 3 54 ASP H 3 55 VAL H 2.350 . 2.900 2.812 2.644 2.918 0.018 10 0 "[ . 1 . 2]" 1
882 3 55 VAL H 3 56 TYR H 2.920 . 4.040 4.194 3.979 4.321 0.281 7 0 "[ . 1 . 2]" 1
883 3 55 VAL H 3 86 ILE H 3.440 . 5.080 5.051 4.518 5.295 0.215 18 0 "[ . 1 . 2]" 1
884 3 55 VAL MG1 3 56 TYR H 3.080 . 4.360 3.103 2.902 3.445 . 0 0 "[ . 1 . 2]" 1
885 3 56 TYR H 3 57 GLU H 3.280 . 4.760 4.269 4.151 4.529 . 0 0 "[ . 1 . 2]" 1
886 3 56 TYR H 3 84 PHE H 2.960 . 4.120 3.624 3.247 3.845 . 0 0 "[ . 1 . 2]" 1
887 3 56 TYR H 3 85 SER H 3.460 . 5.120 5.063 4.779 5.271 0.151 10 0 "[ . 1 . 2]" 1
888 3 56 TYR H 3 86 ILE H 2.600 . 3.400 3.730 3.115 4.215 0.815 17 4 "[ * . * . + -2]" 1
889 3 56 TYR QD 3 57 GLU H 3.090 . 4.380 4.068 2.383 4.371 . 0 0 "[ . 1 . 2]" 1
890 3 56 TYR QD 3 86 ILE H 3.500 . 5.200 3.520 2.711 5.748 0.548 18 1 "[ . 1 . + 2]" 1
891 3 56 TYR QE 3 94 MET ME 3.090 . 4.380 4.452 2.398 7.346 2.966 2 5 "[ + *- * 1 . *]" 1
892 3 57 GLU H 3 58 VAL H 3.240 . 4.680 4.395 4.269 4.463 . 0 0 "[ . 1 . 2]" 1
893 3 58 VAL H 3 59 VAL H 3.170 . 4.540 4.328 4.210 4.479 . 0 0 "[ . 1 . 2]" 1
894 3 58 VAL H 3 59 VAL MG2 3.400 . 5.000 4.297 4.073 4.521 . 0 0 "[ . 1 . 2]" 1
895 3 58 VAL H 3 82 GLY H 2.650 . 3.500 3.291 2.894 3.588 0.088 14 0 "[ . 1 . 2]" 1
896 3 58 VAL H 3 84 PHE H 2.990 . 4.180 4.002 3.680 4.401 0.221 13 0 "[ . 1 . 2]" 1
897 3 58 VAL QG 3 59 VAL H 2.650 . 3.500 2.961 2.705 3.104 . 0 0 "[ . 1 . 2]" 1
898 3 58 VAL QG 3 60 LEU H 3.470 . 5.140 4.231 3.996 4.456 . 0 0 "[ . 1 . 2]" 1
899 3 58 VAL QG 3 60 LEU QD 2.440 . 3.080 3.029 1.951 4.245 1.165 14 9 "[* - . * 1 +*****2]" 1
900 3 58 VAL QG 3 84 PHE H 3.430 . 5.060 4.154 3.799 4.698 . 0 0 "[ . 1 . 2]" 1
901 3 58 VAL QG 3 84 PHE QD 3.260 . 4.720 2.120 1.964 2.316 . 0 0 "[ . 1 . 2]" 1
902 3 58 VAL QG 3 98 LEU QD . . 2.900 2.371 1.742 3.860 0.960 17 2 "[ - . 1 . + 2]" 1
903 3 59 VAL H 3 60 LEU H 3.060 . 4.320 4.375 4.308 4.441 0.121 2 0 "[ . 1 . 2]" 1
904 3 59 VAL H 3 60 LEU QD 3.240 . 4.680 4.643 3.413 6.219 1.539 14 10 "[*** . * 1 +**-**2]" 1
905 3 59 VAL MG1 3 60 LEU H 2.910 . 4.020 2.585 2.458 2.677 . 0 0 "[ . 1 . 2]" 1
906 3 59 VAL MG1 3 80 GLN H 3.330 . 4.860 3.594 3.284 4.199 . 0 0 "[ . 1 . 2]" 1
907 3 59 VAL MG1 3 81 GLY H 3.340 . 4.880 3.957 3.511 4.876 . 0 0 "[ . 1 . 2]" 1
908 3 59 VAL MG2 3 82 GLY H 3.140 . 4.480 3.499 3.257 4.208 . 0 0 "[ . 1 . 2]" 1
909 3 60 LEU H 3 61 ARG H 3.240 . 4.680 4.015 3.777 4.176 . 0 0 "[ . 1 . 2]" 1
910 3 60 LEU H 3 80 GLN H 2.890 . 3.980 3.482 3.144 3.969 . 0 0 "[ . 1 . 2]" 1
911 3 60 LEU H 3 81 GLY H 3.440 . 5.080 4.896 4.547 5.150 0.070 5 0 "[ . 1 . 2]" 1
912 3 60 LEU QD 3 61 ARG H 3.010 . 4.220 3.269 2.772 3.937 . 0 0 "[ . 1 . 2]" 1
913 3 61 ARG H 3 62 VAL H 3.270 . 4.740 4.348 4.244 4.500 . 0 0 "[ . 1 . 2]" 1
914 3 62 VAL H 3 63 THR H 2.990 . 4.180 4.298 4.073 4.492 0.312 12 0 "[ . 1 . 2]" 1
915 3 62 VAL H 3 78 VAL H 2.470 . 3.140 3.376 2.988 3.874 0.734 20 3 "[ .*- 1 . +]" 1
916 3 62 VAL H 3 80 GLN H 3.370 . 4.940 3.833 3.330 4.245 . 0 0 "[ . 1 . 2]" 1
917 3 62 VAL MG1 3 63 THR H 2.940 . 4.080 2.799 2.479 3.390 . 0 0 "[ . 1 . 2]" 1
918 3 62 VAL MG1 3 64 VAL QG 2.990 . 4.180 2.709 2.101 3.194 . 0 0 "[ . 1 . 2]" 1
919 3 62 VAL MG1 3 128 LEU QD 3.470 . 5.140 3.001 2.099 4.308 . 0 0 "[ . 1 . 2]" 1
920 3 62 VAL MG2 3 110 ALA MB 2.830 . 3.860 2.037 1.865 2.199 . 0 0 "[ . 1 . 2]" 1
921 3 63 THR H 3 64 VAL H 3.280 . 4.760 4.248 4.035 4.408 . 0 0 "[ . 1 . 2]" 1
922 3 64 VAL H 3 65 THR H 3.020 . 4.240 4.170 3.926 4.354 0.114 18 0 "[ . 1 . 2]" 1
923 3 64 VAL H 3 75 LEU MD1 3.360 . 4.920 4.117 3.383 4.500 . 0 0 "[ . 1 . 2]" 1
924 3 64 VAL H 3 75 LEU MD2 3.070 . 4.340 3.847 3.363 4.333 . 0 0 "[ . 1 . 2]" 1
925 3 64 VAL H 3 76 CYS H 2.530 . 3.260 3.294 2.999 3.563 0.303 3 0 "[ . 1 . 2]" 1
926 3 64 VAL H 3 77 GLU H 3.500 . 5.200 4.901 4.717 5.110 . 0 0 "[ . 1 . 2]" 1
927 3 64 VAL QG 3 65 THR H 2.890 . 3.990 2.964 2.496 3.119 . 0 0 "[ . 1 . 2]" 1
928 3 64 VAL QG 3 128 LEU QD 3.220 . 4.640 2.725 2.041 3.599 . 0 0 "[ . 1 . 2]" 1
929 3 65 THR H 3 66 ALA H 3.290 . 4.780 4.464 4.274 4.545 . 0 0 "[ . 1 . 2]" 1
930 3 65 THR H 3 75 LEU MD2 3.260 . 4.720 3.900 3.588 4.130 . 0 0 "[ . 1 . 2]" 1
931 3 66 ALA H 3 67 SER H 2.960 . 4.120 4.030 3.712 4.344 0.224 9 0 "[ . 1 . 2]" 1
932 3 66 ALA H 3 73 ALA H 3.180 . 4.560 4.559 4.048 4.754 0.194 16 0 "[ . 1 . 2]" 1
933 3 66 ALA H 3 74 PHE H 2.750 . 3.700 3.371 3.127 3.678 . 0 0 "[ . 1 . 2]" 1
934 3 66 ALA H 3 75 LEU MD2 3.350 . 4.900 3.714 3.320 4.015 . 0 0 "[ . 1 . 2]" 1
935 3 66 ALA MB 3 67 SER H 3.040 . 4.280 3.405 3.149 3.571 . 0 0 "[ . 1 . 2]" 1
936 3 66 ALA MB 3 73 ALA H 3.500 . 5.200 3.633 3.188 3.843 . 0 0 "[ . 1 . 2]" 1
937 3 66 ALA MB 3 73 ALA MB 2.940 . 4.080 2.067 1.778 2.422 0.022 7 0 "[ . 1 . 2]" 1
938 3 66 ALA MB 3 74 PHE H 3.040 . 4.280 2.464 2.002 3.108 . 0 0 "[ . 1 . 2]" 1
939 3 66 ALA MB 3 74 PHE QD 3.420 . 5.040 3.047 2.790 3.428 . 0 0 "[ . 1 . 2]" 1
940 3 66 ALA MB 3 74 PHE QE 3.020 . 4.240 2.905 2.417 3.385 . 0 0 "[ . 1 . 2]" 1
941 3 67 SER H 3 68 LEU H 3.210 . 4.620 4.255 4.163 4.375 . 0 0 "[ . 1 . 2]" 1
942 3 67 SER H 3 73 ALA H 3.440 . 5.080 4.429 4.125 4.617 . 0 0 "[ . 1 . 2]" 1
943 3 68 LEU H 3 69 GLY H 2.310 . 2.820 3.200 2.441 3.539 0.719 1 9 "[+ .-* *1 *.** **]" 1
944 3 68 LEU H 3 71 GLU H 3.270 . 4.740 4.365 3.887 4.808 0.068 17 0 "[ . 1 . 2]" 1
945 3 68 LEU H 3 73 ALA H 3.370 . 4.940 3.776 3.322 4.163 . 0 0 "[ . 1 . 2]" 1
946 3 69 GLY H 3 70 GLU H 3.090 . 4.380 4.268 3.855 4.401 0.021 17 0 "[ . 1 . 2]" 1
947 3 69 GLY H 3 71 GLU H 3.330 . 4.860 4.567 4.225 4.798 . 0 0 "[ . 1 . 2]" 1
948 3 70 GLU H 3 71 GLU H 2.080 . 2.360 2.172 1.779 2.262 0.021 16 0 "[ . 1 . 2]" 1
949 3 71 GLU H 3 72 THR H 3.230 . 4.660 4.309 4.065 4.482 . 0 0 "[ . 1 . 2]" 1
950 3 72 THR H 3 73 ALA H 3.300 . 4.800 4.479 4.403 4.596 . 0 0 "[ . 1 . 2]" 1
951 3 73 ALA H 3 74 PHE H 2.260 . 2.730 2.637 2.409 2.831 0.101 6 0 "[ . 1 . 2]" 1
952 3 73 ALA MB 3 74 PHE H 2.430 . 3.060 2.152 1.987 2.286 . 0 0 "[ . 1 . 2]" 1
953 3 73 ALA MB 3 74 PHE QD 3.250 . 4.700 2.571 2.126 2.937 . 0 0 "[ . 1 . 2]" 1
954 3 74 PHE H 3 75 LEU H 3.100 . 4.400 4.339 4.292 4.380 . 0 0 "[ . 1 . 2]" 1
955 3 74 PHE QD 3 75 LEU H 3.230 . 4.660 3.007 2.682 3.561 . 0 0 "[ . 1 . 2]" 1
956 3 74 PHE QD 3 123 PHE QD 3.360 . 4.920 3.562 3.086 4.380 . 0 0 "[ . 1 . 2]" 1
957 3 74 PHE QD 3 123 PHE QE 3.130 . 4.460 3.793 3.230 4.742 0.282 6 0 "[ . 1 . 2]" 1
958 3 74 PHE QE 3 118 VAL QG 3.000 . 4.200 2.388 1.987 2.945 . 0 0 "[ . 1 . 2]" 1
959 3 74 PHE QE 3 123 PHE QD 3.010 . 4.220 3.963 3.299 4.755 0.535 1 1 "[+ . 1 . 2]" 1
960 3 74 PHE QE 3 123 PHE QE 3.350 . 4.900 4.986 2.658 5.923 1.023 1 4 "[+ * * - 1 . 2]" 1
961 3 75 LEU H 3 76 CYS H 3.250 . 4.700 4.302 4.068 4.433 . 0 0 "[ . 1 . 2]" 1
962 3 75 LEU MD1 3 76 CYS H 2.560 . 3.320 2.278 2.159 2.568 . 0 0 "[ . 1 . 2]" 1
963 3 75 LEU MD1 3 77 GLU H 3.200 . 4.600 3.457 2.892 3.898 . 0 0 "[ . 1 . 2]" 1
964 3 75 LEU MD2 3 76 CYS H 2.450 . 3.100 2.336 2.125 3.102 0.002 19 0 "[ . 1 . 2]" 1
965 3 76 CYS H 3 77 GLU H 3.200 . 4.600 4.199 3.971 4.351 . 0 0 "[ . 1 . 2]" 1
966 3 77 GLU H 3 78 VAL H 2.980 . 4.160 4.214 3.932 4.385 0.225 19 0 "[ . 1 . 2]" 1
967 3 77 GLU H 3 78 VAL MG2 3.220 . 4.640 3.734 3.401 4.157 . 0 0 "[ . 1 . 2]" 1
968 3 78 VAL H 3 79 GLN H 3.250 . 4.700 4.125 3.924 4.300 . 0 0 "[ . 1 . 2]" 1
969 3 78 VAL MG1 3 79 GLN H 2.420 . 3.040 2.947 2.501 3.252 0.212 17 0 "[ . 1 . 2]" 1
970 3 78 VAL MG1 3 80 GLN H 3.160 . 4.520 3.132 2.908 3.717 . 0 0 "[ . 1 . 2]" 1
971 3 78 VAL MG1 3 114 ILE H 3.500 . 5.200 4.291 3.931 4.662 . 0 0 "[ . 1 . 2]" 1
972 3 78 VAL MG2 3 79 GLN H 3.350 . 4.900 4.139 4.021 4.242 . 0 0 "[ . 1 . 2]" 1
973 3 78 VAL MG2 3 114 ILE H 3.070 . 4.340 3.030 2.679 3.391 . 0 0 "[ . 1 . 2]" 1
974 3 79 GLN H 3 80 GLN H 2.970 . 4.140 4.060 3.878 4.240 0.100 18 0 "[ . 1 . 2]" 1
975 3 80 GLN H 3 81 GLY H 3.170 . 4.540 4.337 4.173 4.507 . 0 0 "[ . 1 . 2]" 1
976 3 80 GLN H 3 110 ALA MB 2.950 . 4.100 3.586 3.396 3.777 . 0 0 "[ . 1 . 2]" 1
977 3 81 GLY H 3 82 GLY H 3.300 . 4.800 4.537 4.485 4.582 . 0 0 "[ . 1 . 2]" 1
978 3 82 GLY H 3 83 ILE H 2.910 . 4.020 4.038 3.889 4.203 0.183 10 0 "[ . 1 . 2]" 1
979 3 83 ILE H 3 84 PHE H 3.260 . 4.720 4.442 4.378 4.498 . 0 0 "[ . 1 . 2]" 1
980 3 84 PHE H 3 85 SER H 3.230 . 4.660 4.309 4.127 4.409 . 0 0 "[ . 1 . 2]" 1
981 3 84 PHE QD 3 85 SER H 3.300 . 4.800 4.175 3.891 4.505 . 0 0 "[ . 1 . 2]" 1
982 3 85 SER H 3 86 ILE H 3.060 . 4.320 4.290 4.151 4.505 0.185 2 0 "[ . 1 . 2]" 1
983 3 86 ILE H 3 87 ALA H 3.210 . 4.620 4.261 3.998 4.459 . 0 0 "[ . 1 . 2]" 1
984 3 87 ALA H 3 88 GLY H 3.100 . 4.400 4.403 4.267 4.484 0.084 11 0 "[ . 1 . 2]" 1
985 3 87 ALA H 3 89 ILE H 3.180 . 4.560 4.392 4.006 5.015 0.455 10 0 "[ . 1 . 2]" 1
986 3 87 ALA MB 3 88 GLY H 2.810 . 3.820 2.408 2.198 2.941 . 0 0 "[ . 1 . 2]" 1
987 3 88 GLY H 3 89 ILE H 2.260 . 2.730 3.163 2.743 3.604 0.874 16 9 "[* * . ***- **.+ 2]" 1
988 3 89 ILE H 3 90 GLU H 3.240 . 4.680 4.498 4.439 4.604 . 0 0 "[ . 1 . 2]" 1
989 3 90 GLU H 3 91 GLY H 3.190 . 4.580 4.347 4.277 4.400 . 0 0 "[ . 1 . 2]" 1
990 3 90 GLU H 3 94 MET H 2.940 . 4.080 3.763 2.831 4.411 0.331 14 0 "[ . 1 . 2]" 1
991 3 91 GLY H 3 92 THR H 3.270 . 4.740 4.552 4.409 4.640 . 0 0 "[ . 1 . 2]" 1
992 3 91 GLY H 3 94 MET H 3.310 . 4.820 4.123 3.747 4.570 . 0 0 "[ . 1 . 2]" 1
993 3 91 GLY H 3 95 ALA H 3.390 . 4.980 5.009 4.676 5.533 0.553 17 1 "[ . 1 . + 2]" 1
994 3 92 THR H 3 93 GLN H 2.150 . 2.500 2.579 2.436 2.722 0.222 15 0 "[ . 1 . 2]" 1
995 3 92 THR H 3 94 MET H 3.380 . 4.960 4.337 3.984 4.831 . 0 0 "[ . 1 . 2]" 1
996 3 92 THR H 3 95 ALA H 3.430 . 5.060 4.688 4.541 4.975 . 0 0 "[ . 1 . 2]" 1
997 3 93 GLN H 3 94 MET H 2.530 . 3.260 2.626 2.471 2.755 . 0 0 "[ . 1 . 2]" 1
998 3 93 GLN H 3 95 ALA H 3.020 . 4.240 3.819 3.587 4.102 . 0 0 "[ . 1 . 2]" 1
999 3 93 GLN H 3 96 HIS H 3.350 . 4.900 4.815 4.400 5.202 0.302 2 0 "[ . 1 . 2]" 1
1000 3 94 MET H 3 95 ALA H 2.360 . 2.920 2.491 2.308 2.630 . 0 0 "[ . 1 . 2]" 1
1001 3 94 MET H 3 96 HIS H 3.120 . 4.440 4.130 3.731 4.500 0.060 2 0 "[ . 1 . 2]" 1
1002 3 95 ALA H 3 96 HIS H 2.300 . 2.800 2.669 2.580 2.831 0.031 16 0 "[ . 1 . 2]" 1
1003 3 95 ALA H 3 97 CYS H 3.300 . 4.800 4.096 3.852 4.461 . 0 0 "[ . 1 . 2]" 1
1004 3 95 ALA H 3 98 LEU H 3.350 . 4.900 4.873 4.551 5.205 0.305 7 0 "[ . 1 . 2]" 1
1005 3 95 ALA MB 3 96 HIS H 2.690 . 3.580 2.720 2.445 2.914 . 0 0 "[ . 1 . 2]" 1
1006 3 96 HIS H 3 97 CYS H 2.350 . 2.900 2.599 2.488 2.784 . 0 0 "[ . 1 . 2]" 1
1007 3 96 HIS H 3 98 LEU H 2.860 . 3.920 4.360 3.784 4.711 0.791 3 10 "[**+ -** 1 * . ** *]" 1
1008 3 96 HIS H 3 99 GLY H 3.270 . 4.740 4.696 4.450 5.047 0.307 15 0 "[ . 1 . 2]" 1
1009 3 97 CYS H 3 98 LEU H 2.280 . 2.760 2.663 2.439 2.894 0.134 6 0 "[ . 1 . 2]" 1
1010 3 97 CYS H 3 99 GLY H 3.060 . 4.320 3.971 3.558 4.526 0.206 15 0 "[ . 1 . 2]" 1
1011 3 97 CYS H 3 100 ALA H 3.500 . 5.200 4.971 4.628 5.256 0.056 19 0 "[ . 1 . 2]" 1
1012 3 97 CYS H 3 101 TYR H 3.480 . 5.160 4.926 4.661 5.265 0.105 8 0 "[ . 1 . 2]" 1
1013 3 98 LEU H 3 99 GLY H 2.150 . 2.500 2.547 2.097 2.781 0.281 15 0 "[ . 1 . 2]" 1
1014 3 98 LEU H 3 100 ALA H 2.910 . 4.020 4.120 3.479 4.326 0.306 20 0 "[ . 1 . 2]" 1
1015 3 98 LEU H 3 101 TYR H 3.430 . 5.060 4.780 4.160 5.001 . 0 0 "[ . 1 . 2]" 1
1016 3 98 LEU H 3 102 CYS H 3.400 . 5.000 4.915 4.666 5.239 0.239 8 0 "[ . 1 . 2]" 1
1017 3 98 LEU QD 3 99 GLY H 3.140 . 4.480 3.279 2.254 4.089 . 0 0 "[ . 1 . 2]" 1
1018 3 99 GLY H 3 100 ALA H 2.170 . 2.540 2.546 2.333 2.721 0.181 20 0 "[ . 1 . 2]" 1
1019 3 99 GLY H 3 100 ALA MB 3.370 . 4.940 4.084 3.981 4.247 . 0 0 "[ . 1 . 2]" 1
1020 3 99 GLY H 3 101 TYR H 3.250 . 4.700 4.227 3.958 4.517 . 0 0 "[ . 1 . 2]" 1
1021 3 99 GLY H 3 102 CYS H 3.370 . 4.940 4.894 4.529 5.336 0.396 15 0 "[ . 1 . 2]" 1
1022 3 100 ALA H 3 101 TYR H 2.230 . 2.660 2.199 2.056 2.389 . 0 0 "[ . 1 . 2]" 1
1023 3 100 ALA H 3 102 CYS H 2.510 . 3.220 3.366 3.021 3.656 0.436 8 0 "[ . 1 . 2]" 1
1024 3 100 ALA MB 3 101 TYR H 2.350 . 2.900 2.350 2.193 2.605 . 0 0 "[ . 1 . 2]" 1
1025 3 100 ALA MB 3 134 ASP H 3.340 . 4.880 2.917 2.318 3.748 . 0 0 "[ . 1 . 2]" 1
1026 3 101 TYR H 3 102 CYS H 2.330 . 2.860 2.680 2.541 2.822 . 0 0 "[ . 1 . 2]" 1
1027 3 101 TYR QD 3 102 CYS H 3.120 . 4.440 3.671 3.316 4.023 . 0 0 "[ . 1 . 2]" 1
1028 3 109 TYR H 3 110 ALA H 2.290 . 2.780 2.655 2.585 2.725 . 0 0 "[ . 1 . 2]" 1
1029 3 109 TYR H 3 111 ARG H 3.010 . 4.220 3.888 3.728 4.003 . 0 0 "[ . 1 . 2]" 1
1030 3 109 TYR QD 3 110 ALA H 3.430 . 5.060 4.098 3.891 4.326 . 0 0 "[ . 1 . 2]" 1
1031 3 110 ALA H 3 111 ARG H 2.140 . 2.480 2.602 2.519 2.702 0.222 20 0 "[ . 1 . 2]" 1
1032 3 110 ALA H 3 112 GLU H 3.310 . 4.820 4.499 4.328 4.801 . 0 0 "[ . 1 . 2]" 1
1033 3 110 ALA H 3 113 CYS H 3.470 . 5.140 4.994 4.802 5.184 0.044 8 0 "[ . 1 . 2]" 1
1034 3 110 ALA MB 3 111 ARG H 2.700 . 3.600 2.566 2.409 2.842 . 0 0 "[ . 1 . 2]" 1
1035 3 111 ARG H 3 112 GLU H 2.500 . 3.200 2.868 2.608 3.029 . 0 0 "[ . 1 . 2]" 1
1036 3 111 ARG H 3 113 CYS H 3.020 . 4.240 4.101 3.901 4.274 0.034 20 0 "[ . 1 . 2]" 1
1037 3 112 GLU H 3 113 CYS H 2.360 . 2.920 2.572 2.489 2.622 . 0 0 "[ . 1 . 2]" 1
1038 3 112 GLU H 3 114 ILE H 3.440 . 5.080 4.202 4.042 4.380 . 0 0 "[ . 1 . 2]" 1
1039 3 113 CYS H 3 114 ILE H 2.460 . 3.120 2.631 2.544 2.855 . 0 0 "[ . 1 . 2]" 1
1040 3 113 CYS H 3 115 THR H 3.150 . 4.500 4.120 3.869 4.511 0.011 9 0 "[ . 1 . 2]" 1
1041 3 113 CYS H 3 116 SER H 3.450 . 5.100 4.693 4.514 4.846 . 0 0 "[ . 1 . 2]" 1
1042 3 114 ILE H 3 115 THR H 2.420 . 3.040 2.619 2.558 2.735 . 0 0 "[ . 1 . 2]" 1
1043 3 114 ILE H 3 116 SER H 3.090 . 4.380 3.993 3.873 4.176 . 0 0 "[ . 1 . 2]" 1
1044 3 114 ILE H 3 117 MET H 3.490 . 5.180 4.791 4.650 4.951 . 0 0 "[ . 1 . 2]" 1
1045 3 115 THR H 3 116 SER H 2.360 . 2.920 2.652 2.554 2.703 . 0 0 "[ . 1 . 2]" 1
1046 3 115 THR H 3 117 MET H 3.200 . 4.600 4.233 4.105 4.363 . 0 0 "[ . 1 . 2]" 1
1047 3 116 SER H 3 117 MET H 2.270 . 2.740 2.632 2.435 2.737 . 0 0 "[ . 1 . 2]" 1
1048 3 116 SER H 3 118 VAL H 3.280 . 4.760 4.116 3.984 4.319 . 0 0 "[ . 1 . 2]" 1
1049 3 116 SER H 3 118 VAL QG 3.500 . 5.200 4.584 4.066 4.813 . 0 0 "[ . 1 . 2]" 1
1050 3 116 SER H 3 119 SER H 3.400 . 5.000 4.722 4.502 4.880 . 0 0 "[ . 1 . 2]" 1
1051 3 117 MET H 3 118 VAL H 2.460 . 3.120 2.749 2.637 2.914 . 0 0 "[ . 1 . 2]" 1
1052 3 117 MET H 3 118 VAL QG 3.430 . 5.060 4.031 3.701 4.150 . 0 0 "[ . 1 . 2]" 1
1053 3 117 MET H 3 119 SER H 3.020 . 4.240 4.113 3.918 4.350 0.110 16 0 "[ . 1 . 2]" 1
1054 3 117 MET ME 4 117 MET ME 3.280 . 4.760 3.481 3.156 3.783 . 0 0 "[ . 1 . 2]" 1
1055 3 118 VAL H 3 119 SER H 2.360 . 2.920 2.627 2.507 2.701 . 0 0 "[ . 1 . 2]" 1
1056 3 118 VAL QG 3 119 SER H . . 2.940 3.140 2.286 3.365 0.425 3 0 "[ . 1 . 2]" 1
1057 3 118 VAL QG 3 125 GLN H 3.520 . 5.240 4.062 3.564 4.771 . 0 0 "[ . 1 . 2]" 1
1058 3 118 VAL QG 3 126 LEU H 2.890 . 3.990 2.825 2.140 3.451 . 0 0 "[ . 1 . 2]" 1
1059 3 119 SER H 3 121 GLY H 3.030 . 4.260 4.094 3.893 4.356 0.096 14 0 "[ . 1 . 2]" 1
1060 3 119 SER H 3 123 PHE H 3.420 . 5.040 5.056 4.793 5.228 0.188 4 0 "[ . 1 . 2]" 1
1061 3 121 GLY H 3 122 THR H 2.360 . 2.920 2.581 2.477 2.675 . 0 0 "[ . 1 . 2]" 1
1062 3 121 GLY H 3 123 PHE H 2.740 . 3.680 3.902 3.616 4.197 0.517 18 1 "[ . 1 . + 2]" 1
1063 3 121 GLY H 4 18 THR H 3.150 . 4.500 4.286 3.965 4.734 0.234 13 0 "[ . 1 . 2]" 1
1064 3 122 THR H 3 123 PHE H 2.380 . 2.960 2.690 2.572 2.908 . 0 0 "[ . 1 . 2]" 1
1065 3 122 THR H 4 18 THR H 3.290 . 4.780 4.685 4.231 5.007 0.227 13 0 "[ . 1 . 2]" 1
1066 3 125 GLN H 3 126 LEU H 3.340 . 4.880 4.564 4.381 4.640 . 0 0 "[ . 1 . 2]" 1
1067 3 126 LEU H 3 127 ASN H 3.010 . 4.220 4.000 3.515 4.327 0.107 14 0 "[ . 1 . 2]" 1
1068 3 126 LEU QD 3 127 ASN H 2.700 . 3.600 2.957 2.141 3.659 0.059 15 0 "[ . 1 . 2]" 1
1069 3 126 LEU QD 3 128 LEU H 3.250 . 4.700 3.996 3.203 4.828 0.128 14 0 "[ . 1 . 2]" 1
1070 3 126 LEU QD 3 128 LEU QD 3.320 . 4.840 2.695 1.886 3.995 . 0 0 "[ . 1 . 2]" 1
1071 3 127 ASN H 3 128 LEU H 3.170 . 4.540 4.391 4.200 4.506 . 0 0 "[ . 1 . 2]" 1
1072 3 128 LEU H 3 129 ALA H 3.280 . 4.760 4.588 4.522 4.660 . 0 0 "[ . 1 . 2]" 1
1073 3 128 LEU QD 3 129 ALA H 2.440 . 3.080 2.623 1.606 3.432 0.352 3 0 "[ . 1 . 2]" 1
1074 3 128 LEU QD 3 129 ALA MB 3.300 . 4.800 3.729 2.796 4.474 . 0 0 "[ . 1 . 2]" 1
1075 3 128 LEU QD 3 131 VAL QG 3.490 . 5.180 3.678 2.089 5.430 0.250 15 0 "[ . 1 . 2]" 1
1076 3 131 VAL QG 3 133 PHE H 2.750 . 3.700 3.449 3.067 3.767 0.067 11 0 "[ . 1 . 2]" 1
1077 3 131 VAL QG 3 133 PHE QD 2.850 . 3.900 3.432 3.190 3.841 . 0 0 "[ . 1 . 2]" 1
1078 3 131 VAL QG 3 133 PHE QE 3.140 . 4.480 3.263 2.572 5.391 0.911 3 3 "[ + . * 1 . - 2]" 1
1079 3 133 PHE H 3 134 ASP H 2.190 . 2.580 2.553 2.256 2.828 0.248 6 0 "[ . 1 . 2]" 1
1080 3 133 PHE H 3 135 ALA H 3.080 . 4.360 4.213 4.042 4.393 0.033 11 0 "[ . 1 . 2]" 1
1081 3 133 PHE QD 3 134 ASP H 3.410 . 5.020 4.020 3.764 4.363 . 0 0 "[ . 1 . 2]" 1
1082 3 134 ASP H 3 135 ALA H 2.360 . 2.920 2.701 2.551 2.900 . 0 0 "[ . 1 . 2]" 1
1083 3 134 ASP H 3 136 LEU H 3.240 . 4.680 4.192 3.936 4.477 . 0 0 "[ . 1 . 2]" 1
1084 3 135 ALA H 3 136 LEU H 2.350 . 2.900 2.628 2.468 2.766 . 0 0 "[ . 1 . 2]" 1
1085 3 135 ALA H 3 137 PHE H 3.340 . 4.880 4.252 3.938 4.589 . 0 0 "[ . 1 . 2]" 1
1086 3 135 ALA H 3 138 MET H 3.320 . 4.840 4.743 4.552 5.066 0.226 10 0 "[ . 1 . 2]" 1
1087 3 135 ALA MB 3 136 LEU H 2.600 . 3.400 2.690 2.499 2.932 . 0 0 "[ . 1 . 2]" 1
1088 3 136 LEU H 3 137 PHE H 2.470 . 3.150 2.740 2.462 3.000 . 0 0 "[ . 1 . 2]" 1
1089 3 136 LEU H 3 138 MET H 2.990 . 4.180 4.001 3.794 4.261 0.081 10 0 "[ . 1 . 2]" 1
1090 3 136 LEU H 3 139 ASN H 3.500 . 5.200 4.880 4.490 5.368 0.168 18 0 "[ . 1 . 2]" 1
1091 3 137 PHE H 3 138 MET H 2.280 . 2.760 2.591 2.420 2.737 . 0 0 "[ . 1 . 2]" 1
1092 3 137 PHE H 3 139 ASN H 3.220 . 4.640 4.160 3.654 4.521 . 0 0 "[ . 1 . 2]" 1
1093 3 137 PHE QD 3 138 MET H 3.400 . 5.000 4.474 4.142 4.881 . 0 0 "[ . 1 . 2]" 1
1094 3 138 MET H 3 139 ASN H 2.390 . 2.980 2.543 2.365 2.814 . 0 0 "[ . 1 . 2]" 1
1095 3 138 MET H 3 140 TYR H 3.320 . 4.840 4.190 3.858 4.586 . 0 0 "[ . 1 . 2]" 1
1096 3 139 ASN H 3 140 TYR H 2.440 . 3.080 2.698 2.461 2.953 . 0 0 "[ . 1 . 2]" 1
1097 3 140 TYR H 3 141 LEU H 3.170 . 4.540 3.404 3.156 4.459 . 0 0 "[ . 1 . 2]" 1
1098 3 140 TYR QD 3 141 LEU H 2.260 . 2.720 2.800 2.344 4.039 1.319 6 2 "[ .+ 1 . - 2]" 1
1099 3 140 TYR QE 3 141 LEU H 3.170 . 4.540 4.601 3.504 6.100 1.560 6 2 "[ .+ 1 . - 2]" 1
1100 4 9 MET H 4 10 THR H 3.270 . 4.740 4.497 4.183 4.625 . 0 0 "[ . 1 . 2]" 1
1101 4 9 MET ME 4 10 THR H 3.250 . 4.700 3.829 3.093 4.462 . 0 0 "[ . 1 . 2]" 1
1102 4 9 MET ME 4 11 PHE H 3.370 . 4.940 3.441 2.972 3.726 . 0 0 "[ . 1 . 2]" 1
1103 4 10 THR H 4 11 PHE H 3.180 . 4.560 4.319 4.182 4.478 . 0 0 "[ . 1 . 2]" 1
1104 4 10 THR H 4 87 ALA H 2.610 . 3.420 3.129 2.685 3.713 0.293 2 0 "[ . 1 . 2]" 1
1105 4 10 THR H 4 87 ALA MB 3.410 . 5.020 3.366 2.508 4.083 . 0 0 "[ . 1 . 2]" 1
1106 4 10 THR H 4 89 ILE H 3.230 . 4.660 4.568 4.091 5.102 0.442 20 0 "[ . 1 . 2]" 1
1107 4 11 PHE H 4 12 GLN H 2.950 . 4.100 3.588 3.283 4.112 0.012 2 0 "[ . 1 . 2]" 1
1108 4 11 PHE QD 4 12 GLN H 2.870 . 3.940 4.100 3.740 4.311 0.371 12 0 "[ . 1 . 2]" 1
1109 4 11 PHE QE 4 84 PHE QD 3.320 . 4.840 3.366 2.855 3.734 . 0 0 "[ . 1 . 2]" 1
1110 4 11 PHE QE 4 101 TYR QD 3.280 . 4.760 3.326 2.853 3.668 . 0 0 "[ . 1 . 2]" 1
1111 4 11 PHE QE 4 101 TYR QE 3.410 . 5.020 2.495 1.988 3.259 . 0 0 "[ . 1 . 2]" 1
1112 4 12 GLN H 4 13 ILE H 3.100 . 4.400 4.272 4.114 4.464 0.064 19 0 "[ . 1 . 2]" 1
1113 4 12 GLN H 4 85 SER H 2.410 . 3.020 2.975 2.496 3.424 0.404 20 0 "[ . 1 . 2]" 1
1114 4 13 ILE H 4 14 GLN H 3.330 . 4.860 4.480 4.347 4.594 . 0 0 "[ . 1 . 2]" 1
1115 4 14 GLN H 4 15 ARG H 2.100 . 2.400 2.346 2.167 2.576 0.176 9 0 "[ . 1 . 2]" 1
1116 4 14 GLN H 4 83 ILE H 2.980 . 4.160 4.503 4.203 4.760 0.600 10 4 "[* - + * . 2]" 1
1117 4 14 GLN H 4 84 PHE QD 3.350 . 4.900 4.171 3.529 4.845 . 0 0 "[ . 1 . 2]" 1
1118 4 14 GLN H 4 85 SER H 3.410 . 5.020 4.025 3.400 4.818 . 0 0 "[ . 1 . 2]" 1
1119 4 15 ARG H 4 16 ILE H 3.170 . 4.540 4.228 3.972 4.307 . 0 0 "[ . 1 . 2]" 1
1120 4 15 ARG H 4 83 ILE H 2.570 . 3.340 3.239 3.070 3.416 0.076 2 0 "[ . 1 . 2]" 1
1121 4 16 ILE H 4 17 TYR H 3.240 . 4.680 4.297 4.090 4.501 . 0 0 "[ . 1 . 2]" 1
1122 4 17 TYR H 4 18 THR H 3.170 . 4.540 4.313 4.234 4.395 . 0 0 "[ . 1 . 2]" 1
1123 4 17 TYR H 4 81 GLY H 2.860 . 3.920 3.991 3.842 4.152 0.232 16 0 "[ . 1 . 2]" 1
1124 4 17 TYR QD 4 18 THR H 3.070 . 4.340 3.736 3.291 4.179 . 0 0 "[ . 1 . 2]" 1
1125 4 17 TYR QD 4 81 GLY H 3.460 . 5.120 4.504 3.728 4.999 . 0 0 "[ . 1 . 2]" 1
1126 4 18 THR H 4 19 LYS H 3.280 . 4.760 4.356 4.286 4.458 . 0 0 "[ . 1 . 2]" 1
1127 4 19 LYS H 4 20 ASP H 1.990 . 2.180 2.262 2.129 2.394 0.214 3 0 "[ . 1 . 2]" 1
1128 4 19 LYS H 4 79 GLN H 2.810 . 3.820 4.742 4.474 5.182 1.362 16 20 [*********-*****+****] 1
1129 4 19 LYS H 4 80 GLN H 3.380 . 4.960 5.082 4.906 5.223 0.263 16 0 "[ . 1 . 2]" 1
1130 4 19 LYS H 4 81 GLY H 2.770 . 3.740 2.731 2.517 2.941 . 0 0 "[ . 1 . 2]" 1
1131 4 20 ASP H 4 21 ILE H 3.170 . 4.540 4.169 3.800 4.248 . 0 0 "[ . 1 . 2]" 1
1132 4 20 ASP H 4 79 GLN H 2.320 . 2.840 3.379 3.048 3.753 0.913 16 13 "[** . *-*1** *+****]" 1
1133 4 21 ILE H 4 22 SER H 3.100 . 4.400 4.318 4.226 4.454 0.054 2 0 "[ . 1 . 2]" 1
1134 4 22 SER H 4 23 PHE H 3.150 . 4.500 4.070 3.623 4.215 . 0 0 "[ . 1 . 2]" 1
1135 4 22 SER H 4 77 GLU H 2.520 . 3.240 3.145 2.844 3.358 0.118 7 0 "[ . 1 . 2]" 1
1136 4 22 SER H 4 78 VAL MG2 3.340 . 4.880 3.223 2.560 3.665 . 0 0 "[ . 1 . 2]" 1
1137 4 23 PHE H 4 24 GLU H 3.220 . 4.640 4.071 3.914 4.323 . 0 0 "[ . 1 . 2]" 1
1138 4 23 PHE QD 4 24 GLU H 2.480 . 3.160 3.695 3.461 3.901 0.741 19 11 "[ ** * * ** *-.* *+2]" 1
1139 4 23 PHE QE 4 24 GLU H 3.050 . 4.300 4.729 4.542 4.898 0.598 19 6 "[ * * * .- *+2]" 1
1140 4 23 PHE QE 4 25 ALA MB 3.280 . 4.760 2.896 2.608 3.415 . 0 0 "[ . 1 . 2]" 1
1141 4 23 PHE QE 4 74 PHE QD 3.250 . 4.700 2.620 2.209 3.111 . 0 0 "[ . 1 . 2]" 1
1142 4 23 PHE QE 4 75 LEU H 3.290 . 4.780 4.571 3.916 5.431 0.651 2 1 "[ + . 1 . 2]" 1
1143 4 24 GLU H 4 25 ALA H 3.180 . 4.560 4.275 4.037 4.445 . 0 0 "[ . 1 . 2]" 1
1144 4 24 GLU H 4 75 LEU H 2.460 . 3.120 3.026 2.562 3.514 0.394 16 0 "[ . 1 . 2]" 1
1145 4 24 GLU H 4 76 CYS H 3.510 . 5.220 4.739 4.502 4.990 . 0 0 "[ . 1 . 2]" 1
1146 4 25 ALA MB 4 28 ALA H 3.330 . 4.860 3.552 3.184 3.888 . 0 0 "[ . 1 . 2]" 1
1147 4 25 ALA MB 4 28 ALA MB 2.850 . 3.900 1.938 1.647 2.222 0.153 13 0 "[ . 1 . 2]" 1
1148 4 27 ASN H 4 28 ALA H 2.520 . 3.240 2.815 2.533 3.166 . 0 0 "[ . 1 . 2]" 1
1149 4 27 ASN H 4 31 VAL QG 3.480 . 5.160 4.026 3.171 4.860 . 0 0 "[ . 1 . 2]" 1
1150 4 28 ALA H 4 30 HIS H 2.870 . 3.940 4.164 3.833 4.706 0.766 16 2 "[ . 1 .+ -2]" 1
1151 4 28 ALA H 4 31 VAL H 3.250 . 4.700 4.832 4.683 5.019 0.319 16 0 "[ . 1 . 2]" 1
1152 4 28 ALA MB 4 30 HIS H 3.500 . 5.200 4.229 4.077 4.374 . 0 0 "[ . 1 . 2]" 1
1153 4 30 HIS H 4 31 VAL H 2.160 . 2.520 2.471 2.299 2.632 0.112 8 0 "[ . 1 . 2]" 1
1154 4 30 HIS H 4 32 PHE H 2.880 . 3.960 3.886 3.622 4.193 0.233 16 0 "[ . 1 . 2]" 1
1155 4 31 VAL H 4 32 PHE H 2.290 . 2.780 2.487 2.311 2.620 . 0 0 "[ . 1 . 2]" 1
1156 4 31 VAL H 4 33 GLN H 3.230 . 4.660 4.238 4.053 4.393 . 0 0 "[ . 1 . 2]" 1
1157 4 31 VAL QG 4 32 PHE H 3.070 . 4.340 2.899 2.326 3.376 . 0 0 "[ . 1 . 2]" 1
1158 4 31 VAL QG 4 34 LYS H 3.400 . 5.000 4.074 3.765 4.372 . 0 0 "[ . 1 . 2]" 1
1159 4 31 VAL QG 4 35 ASP H 3.480 . 5.160 5.399 4.080 6.740 1.580 16 10 "[ ***. * ****+ - 2]" 1
1160 4 31 VAL QG 4 68 LEU QD 2.730 . 3.660 2.354 1.614 4.664 1.004 15 1 "[ . 1 + 2]" 1
1161 4 31 VAL QG 4 72 THR H 3.370 . 4.940 4.818 4.273 5.603 0.663 6 2 "[ .+ 1 - 2]" 1
1162 4 31 VAL QG 4 73 ALA MB 3.500 . 5.200 2.658 2.187 3.313 . 0 0 "[ . 1 . 2]" 1
1163 4 31 VAL QG 4 123 PHE QE 2.850 . 3.900 2.306 1.691 2.760 0.109 18 0 "[ . 1 . 2]" 1
1164 4 32 PHE H 4 33 GLN H 2.390 . 2.980 2.765 2.640 2.882 . 0 0 "[ . 1 . 2]" 1
1165 4 32 PHE H 4 34 LYS H 3.150 . 4.500 4.435 4.240 4.669 0.169 20 0 "[ . 1 . 2]" 1
1166 4 32 PHE QD 4 33 GLN H 3.350 . 4.900 4.742 4.645 4.866 . 0 0 "[ . 1 . 2]" 1
1167 4 33 GLN H 4 34 LYS H 2.280 . 2.760 2.486 2.321 2.710 . 0 0 "[ . 1 . 2]" 1
1168 4 33 GLN H 4 35 ASP H 3.500 . 5.200 5.644 4.333 6.683 1.483 14 10 "[ ***. * **+-* * 2]" 1
1169 4 34 LYS H 4 35 ASP H 2.610 . 3.420 3.780 3.106 4.367 0.947 16 10 "[ ***. * ***-+ * 2]" 1
1170 4 35 ASP H 4 36 TRP H 3.010 . 4.220 4.082 3.830 4.254 0.034 16 0 "[ . 1 . 2]" 1
1171 4 35 ASP H 4 36 TRP HE1 3.410 . 5.020 5.897 3.957 7.537 2.517 4 13 "[ **+.* * ****-***2]" 1
1172 4 35 ASP H 4 36 TRP HE3 3.310 . 4.820 4.856 2.423 6.555 1.735 15 6 "[ * 1 * +* * -]" 1
1173 4 35 ASP H 4 36 TRP HZ3 3.350 . 4.900 5.391 2.363 7.655 2.755 15 13 "[ **** - * ***+* * *]" 1
1174 4 36 TRP H 4 37 GLN H 3.160 . 4.520 4.334 4.192 4.465 . 0 0 "[ . 1 . 2]" 1
1175 4 36 TRP H 4 68 LEU QD . . 2.900 3.131 1.557 5.252 2.352 12 10 "[ *-*. * +**** * 2]" 1
1176 4 36 TRP HE3 4 37 GLN H 3.170 . 4.540 4.574 3.866 5.795 1.255 19 3 "[ .* 1 . - +2]" 1
1177 4 39 GLU H 4 40 VAL H 3.290 . 4.780 4.428 4.302 4.608 . 0 0 "[ . 1 . 2]" 1
1178 4 39 GLU H 4 66 ALA MB 3.050 . 4.300 4.685 4.170 5.201 0.901 6 6 "[ -+ * 1 *. * *2]" 1
1179 4 39 GLU H 4 67 SER H 1.900 . 2.000 3.579 2.946 4.283 2.283 12 20 [***********+*******-] 1
1180 4 39 GLU H 4 68 LEU H 3.360 . 4.920 5.054 4.272 6.313 1.393 12 5 "[ * . 1 +- .* * 2]" 1
1181 4 40 VAL H 4 41 LYS H 3.150 . 4.500 4.359 4.051 4.524 0.024 10 0 "[ . 1 . 2]" 1
1182 4 40 VAL MG1 4 41 LYS H 3.430 . 5.060 3.625 2.386 4.299 . 0 0 "[ . 1 . 2]" 1
1183 4 40 VAL MG1 4 126 LEU QD 2.420 . 3.040 2.173 1.742 2.860 0.058 6 0 "[ . 1 . 2]" 1
1184 4 41 LYS H 4 42 LEU H 3.180 . 4.560 4.404 4.182 4.520 . 0 0 "[ . 1 . 2]" 1
1185 4 41 LYS H 4 64 VAL MG1 3.170 . 4.540 3.707 3.063 4.289 . 0 0 "[ . 1 . 2]" 1
1186 4 41 LYS H 4 65 THR H 2.730 . 3.660 3.010 2.540 3.628 . 0 0 "[ . 1 . 2]" 1
1187 4 42 LEU H 4 43 ASP H 3.280 . 4.760 4.328 4.156 4.505 . 0 0 "[ . 1 . 2]" 1
1188 4 42 LEU QD 4 43 ASP H 3.000 . 4.200 2.935 2.245 3.907 . 0 0 "[ . 1 . 2]" 1
1189 4 42 LEU QD 4 44 LEU QD 3.150 . 4.500 2.821 1.911 4.997 0.497 9 0 "[ . 1 . 2]" 1
1190 4 42 LEU QD 4 128 LEU QD 3.060 . 3.940 1.857 1.587 2.223 0.213 7 0 "[ . 1 . 2]" 1
1191 4 43 ASP H 4 44 LEU H 2.990 . 4.180 4.377 4.187 4.557 0.377 13 0 "[ . 1 . 2]" 1
1192 4 43 ASP H 4 44 LEU QD 3.440 . 5.080 4.500 3.360 5.730 0.650 15 3 "[ . *1 -+ 2]" 1
1193 4 43 ASP H 4 63 THR H 2.950 . 4.100 3.349 2.663 3.664 . 0 0 "[ . 1 . 2]" 1
1194 4 44 LEU H 4 45 ASP H 3.300 . 4.800 4.423 4.318 4.523 . 0 0 "[ . 1 . 2]" 1
1195 4 44 LEU QD 4 45 ASP H 3.400 . 5.000 3.493 2.245 4.350 . 0 0 "[ . 1 . 2]" 1
1196 4 44 LEU QD 4 133 PHE QE 2.960 . 4.120 3.501 2.285 5.025 0.905 9 2 "[ - . +1 . 2]" 1
1197 4 45 ASP H 4 46 THR H 3.130 . 4.460 4.279 4.031 4.396 . 0 0 "[ . 1 . 2]" 1
1198 4 45 ASP H 4 60 LEU QD 2.740 . 3.680 3.616 3.110 4.907 1.227 3 3 "[ +-. 1 * . 2]" 1
1199 4 45 ASP H 4 61 ARG H 3.030 . 4.260 3.602 3.289 3.896 . 0 0 "[ . 1 . 2]" 1
1200 4 46 THR H 4 47 ALA H 3.280 . 4.760 4.479 4.395 4.530 . 0 0 "[ . 1 . 2]" 1
1201 4 47 ALA H 4 48 SER H 3.090 . 4.380 4.343 4.269 4.383 0.003 17 0 "[ . 1 . 2]" 1
1202 4 47 ALA H 4 58 VAL QG 3.510 . 5.220 4.146 3.711 4.643 . 0 0 "[ . 1 . 2]" 1
1203 4 47 ALA H 4 59 VAL H 2.990 . 4.180 3.637 3.140 3.875 . 0 0 "[ . 1 . 2]" 1
1204 4 47 ALA MB 4 48 SER H 2.750 . 3.700 2.581 2.385 2.899 . 0 0 "[ . 1 . 2]" 1
1205 4 47 ALA MB 4 59 VAL MG1 3.310 . 4.820 2.847 2.686 3.008 . 0 0 "[ . 1 . 2]" 1
1206 4 48 SER H 4 49 SER H 3.190 . 4.580 4.319 4.281 4.363 . 0 0 "[ . 1 . 2]" 1
1207 4 48 SER H 4 59 VAL H 3.360 . 4.920 4.525 4.241 4.926 0.006 1 0 "[ . 1 . 2]" 1
1208 4 49 SER H 4 50 GLN H 2.980 . 4.160 4.220 3.950 4.340 0.180 6 0 "[ . 1 . 2]" 1
1209 4 49 SER H 4 57 GLU H 2.850 . 3.900 3.257 2.863 3.479 . 0 0 "[ . 1 . 2]" 1
1210 4 49 SER H 4 59 VAL H 3.470 . 5.140 4.907 4.681 5.488 0.348 3 0 "[ . 1 . 2]" 1
1211 4 50 GLN H 4 51 LEU H 3.340 . 4.880 4.446 4.337 4.543 . 0 0 "[ . 1 . 2]" 1
1212 4 50 GLN H 4 57 GLU H 3.520 . 5.240 4.957 4.762 5.182 . 0 0 "[ . 1 . 2]" 1
1213 4 51 LEU H 4 52 ALA H 1.900 . 2.000 2.201 2.046 2.290 0.290 14 0 "[ . 1 . 2]" 1
1214 4 51 LEU H 4 55 VAL H 3.430 . 5.060 4.886 4.673 5.134 0.074 6 0 "[ . 1 . 2]" 1
1215 4 51 LEU H 4 55 VAL MG1 3.490 . 5.180 3.343 2.904 3.791 . 0 0 "[ . 1 . 2]" 1
1216 4 51 LEU H 4 57 GLU H 3.160 . 4.520 3.568 3.251 4.262 . 0 0 "[ . 1 . 2]" 1
1217 4 51 LEU MD1 4 55 VAL MG1 3.130 . 4.460 2.625 2.217 2.997 . 0 0 "[ . 1 . 2]" 1
1218 4 51 LEU MD1 4 57 GLU H 3.290 . 4.780 3.785 3.195 4.186 . 0 0 "[ . 1 . 2]" 1
1219 4 52 ALA H 4 53 ASP H 3.200 . 4.600 4.340 4.312 4.369 . 0 0 "[ . 1 . 2]" 1
1220 4 52 ALA H 4 55 VAL H 3.000 . 4.200 3.619 3.467 3.819 . 0 0 "[ . 1 . 2]" 1
1221 4 52 ALA H 4 55 VAL MG1 3.140 . 4.480 3.341 3.019 3.742 . 0 0 "[ . 1 . 2]" 1
1222 4 52 ALA MB 4 53 ASP H 2.430 . 3.060 1.971 1.848 2.379 . 0 0 "[ . 1 . 2]" 1
1223 4 52 ALA MB 4 55 VAL MG2 3.230 . 4.660 2.528 2.305 2.670 . 0 0 "[ . 1 . 2]" 1
1224 4 53 ASP H 4 54 ASP H 3.280 . 4.760 4.507 4.430 4.603 . 0 0 "[ . 1 . 2]" 1
1225 4 53 ASP H 4 55 VAL H 3.480 . 5.160 4.258 4.066 4.404 . 0 0 "[ . 1 . 2]" 1
1226 4 54 ASP H 4 55 VAL H 2.290 . 2.780 2.739 2.561 2.864 0.084 20 0 "[ . 1 . 2]" 1
1227 4 54 ASP H 4 56 TYR QE 3.240 . 4.680 3.457 2.577 4.452 . 0 0 "[ . 1 . 2]" 1
1228 4 55 VAL H 4 56 TYR H 2.870 . 3.940 4.227 4.150 4.344 0.404 3 0 "[ . 1 . 2]" 1
1229 4 55 VAL H 4 56 TYR QD 3.160 . 4.520 3.978 3.088 4.542 0.022 17 0 "[ . 1 . 2]" 1
1230 4 55 VAL H 4 56 TYR QE 3.130 . 4.460 3.999 3.493 4.602 0.142 17 0 "[ . 1 . 2]" 1
1231 4 55 VAL MG1 4 56 TYR H 3.040 . 4.280 2.826 2.707 2.978 . 0 0 "[ . 1 . 2]" 1
1232 4 56 TYR H 4 57 GLU H 3.220 . 4.640 4.246 4.174 4.410 . 0 0 "[ . 1 . 2]" 1
1233 4 56 TYR H 4 84 PHE H 3.010 . 4.220 3.463 3.122 3.838 . 0 0 "[ . 1 . 2]" 1
1234 4 56 TYR H 4 86 ILE H 2.970 . 4.140 3.320 2.786 3.970 . 0 0 "[ . 1 . 2]" 1
1235 4 56 TYR QD 4 57 GLU H 3.400 . 5.000 4.234 3.767 4.491 . 0 0 "[ . 1 . 2]" 1
1236 4 57 GLU H 4 58 VAL H 3.200 . 4.600 4.426 4.121 4.542 . 0 0 "[ . 1 . 2]" 1
1237 4 58 VAL H 4 59 VAL H 3.250 . 4.700 4.266 4.141 4.401 . 0 0 "[ . 1 . 2]" 1
1238 4 58 VAL H 4 82 GLY H 2.730 . 3.660 3.211 2.772 3.662 0.002 17 0 "[ . 1 . 2]" 1
1239 4 58 VAL H 4 84 PHE H 3.200 . 4.600 4.208 3.909 4.448 . 0 0 "[ . 1 . 2]" 1
1240 4 58 VAL QG 4 59 VAL H 2.630 . 3.460 2.961 2.671 3.168 . 0 0 "[ . 1 . 2]" 1
1241 4 58 VAL QG 4 60 LEU QD 3.230 . 4.660 3.207 1.897 4.113 . 0 0 "[ . 1 . 2]" 1
1242 4 58 VAL QG 4 98 LEU QD 2.980 . 3.200 2.472 1.795 3.843 0.643 4 2 "[ +. 1 . - 2]" 1
1243 4 59 VAL H 4 60 LEU H 3.170 . 4.540 4.416 4.252 4.495 . 0 0 "[ . 1 . 2]" 1
1244 4 59 VAL MG1 4 60 LEU H 2.770 . 3.740 2.681 2.453 3.230 . 0 0 "[ . 1 . 2]" 1
1245 4 59 VAL MG1 4 61 ARG H 3.400 . 5.000 3.689 3.394 3.976 . 0 0 "[ . 1 . 2]" 1
1246 4 59 VAL MG2 4 60 LEU H 3.480 . 5.160 4.253 4.174 4.402 . 0 0 "[ . 1 . 2]" 1
1247 4 60 LEU H 4 61 ARG H 3.120 . 4.440 4.103 3.969 4.264 . 0 0 "[ . 1 . 2]" 1
1248 4 60 LEU H 4 80 GLN H 3.110 . 4.420 3.628 3.349 3.958 . 0 0 "[ . 1 . 2]" 1
1249 4 60 LEU H 4 82 GLY H 3.520 . 5.240 4.940 4.577 5.390 0.150 16 0 "[ . 1 . 2]" 1
1250 4 60 LEU QD 4 61 ARG H 2.720 . 3.640 2.818 2.504 3.563 . 0 0 "[ . 1 . 2]" 1
1251 4 60 LEU QD 4 62 VAL H 3.470 . 5.140 3.952 3.147 5.589 0.449 12 0 "[ . 1 . 2]" 1
1252 4 60 LEU QD 4 62 VAL MG2 3.000 . 4.200 2.416 1.945 4.115 . 0 0 "[ . 1 . 2]" 1
1253 4 61 ARG H 4 62 VAL H 3.140 . 4.480 4.267 4.114 4.421 . 0 0 "[ . 1 . 2]" 1
1254 4 62 VAL H 4 63 THR H 3.160 . 4.520 4.384 4.130 4.470 . 0 0 "[ . 1 . 2]" 1
1255 4 62 VAL H 4 78 VAL H 2.950 . 4.100 3.453 3.095 3.707 . 0 0 "[ . 1 . 2]" 1
1256 4 62 VAL H 4 80 GLN H 3.000 . 4.200 3.754 3.498 4.023 . 0 0 "[ . 1 . 2]" 1
1257 4 62 VAL MG1 4 63 THR H 2.930 . 4.060 2.802 2.505 3.371 . 0 0 "[ . 1 . 2]" 1
1258 4 62 VAL MG1 4 64 VAL MG2 3.060 . 4.320 2.559 2.219 2.864 . 0 0 "[ . 1 . 2]" 1
1259 4 62 VAL MG1 4 128 LEU QD 3.080 . 4.360 2.938 1.930 3.796 . 0 0 "[ . 1 . 2]" 1
1260 4 62 VAL MG2 4 110 ALA MB 3.140 . 4.480 2.102 1.953 2.280 . 0 0 "[ . 1 . 2]" 1
1261 4 63 THR H 4 64 VAL H 3.290 . 4.780 4.359 4.247 4.499 . 0 0 "[ . 1 . 2]" 1
1262 4 64 VAL H 4 65 THR H 2.970 . 4.140 4.080 3.881 4.282 0.142 3 0 "[ . 1 . 2]" 1
1263 4 64 VAL H 4 76 CYS H 2.930 . 4.060 3.412 3.192 3.650 . 0 0 "[ . 1 . 2]" 1
1264 4 64 VAL MG1 4 65 THR H 2.990 . 4.180 3.112 2.724 3.393 . 0 0 "[ . 1 . 2]" 1
1265 4 64 VAL MG1 4 66 ALA H 3.440 . 5.080 3.695 3.131 4.201 . 0 0 "[ . 1 . 2]" 1
1266 4 64 VAL MG1 4 66 ALA MB 3.350 . 4.900 3.069 2.431 3.624 . 0 0 "[ . 1 . 2]" 1
1267 4 64 VAL MG1 4 126 LEU QD 3.490 . 3.540 2.076 1.697 2.754 0.103 17 0 "[ . 1 . 2]" 1
1268 4 64 VAL MG2 4 126 LEU QD 3.150 . 4.500 2.588 1.956 3.520 . 0 0 "[ . 1 . 2]" 1
1269 4 65 THR H 4 66 ALA H 3.150 . 4.500 4.173 3.939 4.413 . 0 0 "[ . 1 . 2]" 1
1270 4 66 ALA H 4 67 SER H 3.240 . 4.680 4.445 4.336 4.545 . 0 0 "[ . 1 . 2]" 1
1271 4 66 ALA H 4 74 PHE H 3.090 . 4.380 3.619 3.405 3.883 . 0 0 "[ . 1 . 2]" 1
1272 4 66 ALA H 4 75 LEU MD2 2.760 . 3.720 2.875 2.445 3.280 . 0 0 "[ . 1 . 2]" 1
1273 4 66 ALA H 4 76 CYS H 3.520 . 5.240 4.571 4.217 4.838 . 0 0 "[ . 1 . 2]" 1
1274 4 66 ALA MB 4 67 SER H 2.770 . 3.740 3.064 2.912 3.203 . 0 0 "[ . 1 . 2]" 1
1275 4 66 ALA MB 4 73 ALA MB 3.280 . 4.760 2.192 1.812 2.440 . 0 0 "[ . 1 . 2]" 1
1276 4 66 ALA MB 4 74 PHE H 3.270 . 4.740 2.266 2.010 2.481 . 0 0 "[ . 1 . 2]" 1
1277 4 66 ALA MB 4 74 PHE QD 3.510 . 5.220 3.015 2.796 3.107 . 0 0 "[ . 1 . 2]" 1
1278 4 66 ALA MB 4 74 PHE QE 3.040 . 4.280 2.857 2.712 2.934 . 0 0 "[ . 1 . 2]" 1
1279 4 67 SER H 4 68 LEU H 3.170 . 4.540 4.169 4.053 4.328 . 0 0 "[ . 1 . 2]" 1
1280 4 67 SER H 4 73 ALA H 3.370 . 4.940 4.117 3.967 4.402 . 0 0 "[ . 1 . 2]" 1
1281 4 67 SER H 4 73 ALA MB 3.480 . 5.160 3.748 3.270 4.200 . 0 0 "[ . 1 . 2]" 1
1282 4 68 LEU H 4 69 GLY H 3.060 . 4.320 4.355 4.073 4.556 0.236 7 0 "[ . 1 . 2]" 1
1283 4 68 LEU H 4 71 GLU H 2.810 . 3.820 3.990 3.747 4.329 0.509 15 1 "[ . 1 + 2]" 1
1284 4 68 LEU H 4 73 ALA H 2.710 . 3.620 3.021 2.462 3.619 . 0 0 "[ . 1 . 2]" 1
1285 4 68 LEU H 4 73 ALA MB 3.020 . 4.240 2.971 2.503 3.413 . 0 0 "[ . 1 . 2]" 1
1286 4 68 LEU QD 4 71 GLU H 3.510 . 5.220 4.496 3.316 5.594 0.374 13 0 "[ . 1 . 2]" 1
1287 4 68 LEU QD 4 73 ALA H 2.910 . 4.020 3.947 2.877 6.162 2.142 15 3 "[ - 1 + * 2]" 1
1288 4 68 LEU QD 4 73 ALA MB 2.670 . 3.540 2.282 1.601 4.344 0.804 15 1 "[ . 1 + 2]" 1
1289 4 69 GLY H 4 70 GLU H 3.230 . 4.660 4.416 4.327 4.610 . 0 0 "[ . 1 . 2]" 1
1290 4 69 GLY H 4 71 GLU H 3.320 . 4.840 4.608 4.209 4.851 0.011 14 0 "[ . 1 . 2]" 1
1291 4 70 GLU H 4 71 GLU H 2.390 . 2.980 2.258 2.023 2.663 . 0 0 "[ . 1 . 2]" 1
1292 4 71 GLU H 4 72 THR H 3.170 . 4.540 4.448 4.366 4.539 . 0 0 "[ . 1 . 2]" 1
1293 4 72 THR H 4 73 ALA H 3.270 . 4.740 4.522 4.428 4.584 . 0 0 "[ . 1 . 2]" 1
1294 4 73 ALA H 4 74 PHE H 2.240 . 2.680 2.696 2.480 2.845 0.165 2 0 "[ . 1 . 2]" 1
1295 4 73 ALA H 4 75 LEU MD2 3.530 . 5.250 4.805 4.464 5.185 . 0 0 "[ . 1 . 2]" 1
1296 4 73 ALA MB 4 74 PHE H 2.510 . 3.220 2.001 1.901 2.234 . 0 0 "[ . 1 . 2]" 1
1297 4 73 ALA MB 4 74 PHE QD 3.090 . 4.380 2.327 2.048 2.621 . 0 0 "[ . 1 . 2]" 1
1298 4 73 ALA MB 4 74 PHE QE 3.170 . 4.540 3.299 3.049 3.605 . 0 0 "[ . 1 . 2]" 1
1299 4 73 ALA MB 4 123 PHE QE 3.470 . 5.140 3.055 2.351 3.594 . 0 0 "[ . 1 . 2]" 1
1300 4 74 PHE H 4 75 LEU H 3.060 . 4.320 4.296 4.186 4.366 0.046 15 0 "[ . 1 . 2]" 1
1301 4 74 PHE H 4 75 LEU MD2 2.980 . 4.160 4.117 3.829 4.289 0.129 19 0 "[ . 1 . 2]" 1
1302 4 74 PHE QD 4 75 LEU H 3.360 . 4.920 3.619 3.248 4.183 . 0 0 "[ . 1 . 2]" 1
1303 4 74 PHE QD 4 123 PHE QD 3.230 . 4.660 3.205 2.608 3.501 . 0 0 "[ . 1 . 2]" 1
1304 4 74 PHE QE 4 118 VAL MG1 3.090 . 4.380 2.957 2.579 3.240 . 0 0 "[ . 1 . 2]" 1
1305 4 74 PHE QE 4 123 PHE QD 3.110 . 4.420 3.447 3.027 3.781 . 0 0 "[ . 1 . 2]" 1
1306 4 75 LEU H 4 76 CYS H 3.190 . 4.580 4.369 4.111 4.494 . 0 0 "[ . 1 . 2]" 1
1307 4 75 LEU MD2 4 76 CYS H 3.490 . 5.180 3.772 3.563 3.985 . 0 0 "[ . 1 . 2]" 1
1308 4 76 CYS H 4 77 GLU H 3.230 . 4.660 4.244 3.952 4.430 . 0 0 "[ . 1 . 2]" 1
1309 4 77 GLU H 4 78 VAL H 3.080 . 4.360 4.162 4.001 4.247 . 0 0 "[ . 1 . 2]" 1
1310 4 77 GLU H 4 78 VAL MG2 3.210 . 4.620 3.387 3.242 3.509 . 0 0 "[ . 1 . 2]" 1
1311 4 78 VAL H 4 79 GLN H 3.210 . 4.620 4.083 3.973 4.165 . 0 0 "[ . 1 . 2]" 1
1312 4 78 VAL MG1 4 79 GLN H 2.430 . 3.060 2.990 2.525 3.133 0.073 20 0 "[ . 1 . 2]" 1
1313 4 78 VAL MG1 4 80 GLN H 2.970 . 4.140 3.016 2.701 3.303 . 0 0 "[ . 1 . 2]" 1
1314 4 78 VAL MG1 4 117 MET ME 3.510 . 5.220 4.016 3.890 4.212 . 0 0 "[ . 1 . 2]" 1
1315 4 78 VAL MG2 4 79 GLN H 3.370 . 4.940 4.234 4.079 4.289 . 0 0 "[ . 1 . 2]" 1
1316 4 78 VAL MG2 4 114 ILE H 2.950 . 4.100 3.051 2.754 3.364 . 0 0 "[ . 1 . 2]" 1
1317 4 78 VAL MG2 4 117 MET ME 2.300 . 2.800 2.105 1.843 2.310 . 0 0 "[ . 1 . 2]" 1
1318 4 79 GLN H 4 80 GLN H 2.860 . 3.920 3.996 3.904 4.071 0.151 6 0 "[ . 1 . 2]" 1
1319 4 80 GLN H 4 81 GLY H 3.190 . 4.580 4.188 4.096 4.405 . 0 0 "[ . 1 . 2]" 1
1320 4 80 GLN H 4 110 ALA MB 3.260 . 4.720 3.811 3.354 4.151 . 0 0 "[ . 1 . 2]" 1
1321 4 81 GLY H 4 82 GLY H 3.260 . 4.720 4.559 4.510 4.590 . 0 0 "[ . 1 . 2]" 1
1322 4 82 GLY H 4 83 ILE H 3.210 . 4.620 4.201 4.076 4.278 . 0 0 "[ . 1 . 2]" 1
1323 4 82 GLY H 4 84 PHE QE 3.350 . 4.900 4.122 3.749 4.699 . 0 0 "[ . 1 . 2]" 1
1324 4 83 ILE H 4 84 PHE H 3.250 . 4.700 4.475 4.391 4.530 . 0 0 "[ . 1 . 2]" 1
1325 4 84 PHE H 4 85 SER H 3.200 . 4.600 4.314 4.177 4.439 . 0 0 "[ . 1 . 2]" 1
1326 4 84 PHE QD 4 85 SER H 3.400 . 5.000 4.274 3.876 4.557 . 0 0 "[ . 1 . 2]" 1
1327 4 85 SER H 4 86 ILE H 3.230 . 4.660 4.208 4.057 4.329 . 0 0 "[ . 1 . 2]" 1
1328 4 86 ILE H 4 87 ALA H 3.220 . 4.640 4.313 4.086 4.479 . 0 0 "[ . 1 . 2]" 1
1329 4 87 ALA H 4 88 GLY H 3.020 . 4.240 4.364 4.195 4.447 0.207 5 0 "[ . 1 . 2]" 1
1330 4 87 ALA H 4 89 ILE H 2.590 . 3.380 4.317 3.970 4.784 1.404 12 20 [-**********+********] 1
1331 4 87 ALA MB 4 88 GLY H 2.900 . 4.000 2.523 2.273 3.232 . 0 0 "[ . 1 . 2]" 1
1332 4 88 GLY H 4 89 ILE H 2.330 . 2.860 2.728 2.424 3.042 0.182 1 0 "[ . 1 . 2]" 1
1333 4 89 ILE H 4 90 GLU H 3.260 . 4.720 4.418 4.318 4.560 . 0 0 "[ . 1 . 2]" 1
1334 4 90 GLU H 4 91 GLY H 3.200 . 4.600 4.414 4.344 4.467 . 0 0 "[ . 1 . 2]" 1
1335 4 90 GLU H 4 94 MET H 3.090 . 4.380 3.714 3.180 4.194 . 0 0 "[ . 1 . 2]" 1
1336 4 91 GLY H 4 92 THR H 3.310 . 4.820 4.516 4.201 4.626 . 0 0 "[ . 1 . 2]" 1
1337 4 91 GLY H 4 94 MET H 3.370 . 4.940 4.364 4.032 4.704 . 0 0 "[ . 1 . 2]" 1
1338 4 91 GLY H 4 95 ALA H 3.500 . 5.200 5.090 4.606 5.657 0.457 17 0 "[ . 1 . 2]" 1
1339 4 92 THR H 4 93 GLN H 2.130 . 2.460 2.608 2.428 2.874 0.414 10 0 "[ . 1 . 2]" 1
1340 4 92 THR H 4 94 MET H 3.050 . 4.300 4.332 4.059 4.529 0.229 19 0 "[ . 1 . 2]" 1
1341 4 92 THR H 4 95 ALA H 3.480 . 5.160 4.759 4.591 4.984 . 0 0 "[ . 1 . 2]" 1
1342 4 93 GLN H 4 94 MET H 2.350 . 2.900 2.615 2.399 2.760 . 0 0 "[ . 1 . 2]" 1
1343 4 93 GLN H 4 95 ALA H 3.250 . 4.700 3.919 3.609 4.351 . 0 0 "[ . 1 . 2]" 1
1344 4 93 GLN H 4 96 HIS H 3.410 . 5.020 4.713 4.448 4.975 . 0 0 "[ . 1 . 2]" 1
1345 4 94 MET H 4 95 ALA H 2.230 . 2.660 2.517 2.362 2.678 0.018 2 0 "[ . 1 . 2]" 1
1346 4 94 MET H 4 96 HIS H 2.900 . 4.000 4.066 3.798 4.423 0.423 10 0 "[ . 1 . 2]" 1
1347 4 94 MET H 4 97 CYS H 3.470 . 5.140 4.729 4.459 5.094 . 0 0 "[ . 1 . 2]" 1
1348 4 94 MET ME 4 95 ALA H 2.670 . 3.540 4.514 2.645 5.736 2.196 10 12 "[* ** ***+ **- **2]" 1
1349 4 94 MET ME 4 95 ALA MB 3.220 . 4.640 4.371 2.464 5.855 1.215 8 10 "[* ** -+** * **2]" 1
1350 4 94 MET ME 4 98 LEU H 3.230 . 4.660 5.061 2.862 6.572 1.912 16 9 "[ -* .* * ** .+* *]" 1
1351 4 94 MET ME 4 98 LEU QD 2.460 . 3.120 2.774 1.817 4.688 1.568 16 3 "[ - . 1 * .+ 2]" 1
1352 4 95 ALA H 4 96 HIS H 2.360 . 2.920 2.666 2.495 2.830 . 0 0 "[ . 1 . 2]" 1
1353 4 95 ALA H 4 97 CYS H 3.300 . 4.800 4.086 3.896 4.371 . 0 0 "[ . 1 . 2]" 1
1354 4 95 ALA H 4 98 LEU H 3.440 . 5.080 4.797 4.596 5.078 . 0 0 "[ . 1 . 2]" 1
1355 4 95 ALA MB 4 96 HIS H 2.680 . 3.570 2.650 2.243 2.859 . 0 0 "[ . 1 . 2]" 1
1356 4 96 HIS H 4 97 CYS H 2.350 . 2.900 2.607 2.440 2.821 . 0 0 "[ . 1 . 2]" 1
1357 4 96 HIS H 4 98 LEU H 2.970 . 4.140 4.178 3.711 4.557 0.417 12 0 "[ . 1 . 2]" 1
1358 4 96 HIS H 4 99 GLY H 3.450 . 5.100 4.653 4.359 4.959 . 0 0 "[ . 1 . 2]" 1
1359 4 97 CYS H 4 98 LEU H 2.300 . 2.800 2.650 2.455 2.823 0.023 5 0 "[ . 1 . 2]" 1
1360 4 97 CYS H 4 99 GLY H 3.080 . 4.360 3.991 3.631 4.327 . 0 0 "[ . 1 . 2]" 1
1361 4 97 CYS H 4 100 ALA H 3.470 . 5.140 4.994 4.814 5.288 0.148 14 0 "[ . 1 . 2]" 1
1362 4 98 LEU H 4 99 GLY H 2.260 . 2.730 2.445 2.255 2.613 . 0 0 "[ . 1 . 2]" 1
1363 4 98 LEU H 4 100 ALA H 2.970 . 4.140 4.017 3.562 4.289 0.149 5 0 "[ . 1 . 2]" 1
1364 4 98 LEU H 4 102 CYS H 3.490 . 5.180 4.915 4.557 5.049 . 0 0 "[ . 1 . 2]" 1
1365 4 99 GLY H 4 100 ALA H 2.150 . 2.500 2.504 2.354 2.712 0.212 15 0 "[ . 1 . 2]" 1
1366 4 99 GLY H 4 100 ALA MB 3.330 . 4.860 4.099 3.954 4.318 . 0 0 "[ . 1 . 2]" 1
1367 4 99 GLY H 4 101 TYR H 3.360 . 4.920 4.286 4.120 4.631 . 0 0 "[ . 1 . 2]" 1
1368 4 99 GLY H 4 102 CYS H 3.370 . 4.940 4.926 4.613 5.285 0.345 1 0 "[ . 1 . 2]" 1
1369 4 100 ALA H 4 101 TYR H 2.290 . 2.780 2.264 2.163 2.410 . 0 0 "[ . 1 . 2]" 1
1370 4 100 ALA H 4 102 CYS H 2.470 . 3.150 3.475 3.207 3.780 0.630 1 2 "[+ .- 1 . 2]" 1
1371 4 100 ALA MB 4 101 TYR H 2.300 . 2.800 2.308 2.200 2.472 . 0 0 "[ . 1 . 2]" 1
1372 4 100 ALA MB 4 102 CYS H 3.480 . 5.160 4.597 4.445 4.725 . 0 0 "[ . 1 . 2]" 1
1373 4 100 ALA MB 4 134 ASP H 3.050 . 4.300 3.054 2.520 3.384 . 0 0 "[ . 1 . 2]" 1
1374 4 101 TYR H 4 102 CYS H 2.250 . 2.700 2.707 2.572 2.879 0.179 20 0 "[ . 1 . 2]" 1
1375 4 101 TYR QD 4 102 CYS H 3.090 . 4.380 3.687 3.383 4.006 . 0 0 "[ . 1 . 2]" 1
1376 4 102 CYS H 4 105 ILE H 3.520 . 5.240 4.907 4.731 5.141 . 0 0 "[ . 1 . 2]" 1
1377 4 109 TYR H 4 110 ALA H 2.270 . 2.740 2.499 2.448 2.549 . 0 0 "[ . 1 . 2]" 1
1378 4 109 TYR H 4 111 ARG H 3.040 . 4.280 4.093 3.935 4.315 0.035 11 0 "[ . 1 . 2]" 1
1379 4 109 TYR QD 4 110 ALA H 3.400 . 5.000 4.352 4.036 4.555 . 0 0 "[ . 1 . 2]" 1
1380 4 110 ALA H 4 111 ARG H 2.140 . 2.480 2.643 2.569 2.708 0.228 6 0 "[ . 1 . 2]" 1
1381 4 110 ALA H 4 112 GLU H 3.120 . 4.440 4.090 3.900 4.272 . 0 0 "[ . 1 . 2]" 1
1382 4 110 ALA MB 4 111 ARG H 2.710 . 3.620 2.342 2.209 2.466 . 0 0 "[ . 1 . 2]" 1
1383 4 111 ARG H 4 112 GLU H 2.390 . 2.980 2.768 2.662 2.874 . 0 0 "[ . 1 . 2]" 1
1384 4 111 ARG H 4 113 CYS H 3.160 . 4.520 4.343 4.209 4.441 . 0 0 "[ . 1 . 2]" 1
1385 4 112 GLU H 4 113 CYS H 2.330 . 2.860 2.727 2.564 2.847 . 0 0 "[ . 1 . 2]" 1
1386 4 112 GLU H 4 114 ILE H 3.430 . 5.060 4.261 4.182 4.437 . 0 0 "[ . 1 . 2]" 1
1387 4 112 GLU H 4 115 THR H 3.400 . 5.000 4.734 4.615 4.957 . 0 0 "[ . 1 . 2]" 1
1388 4 113 CYS H 4 114 ILE H 2.490 . 3.180 2.725 2.625 2.774 . 0 0 "[ . 1 . 2]" 1
1389 4 113 CYS H 4 115 THR H 3.080 . 4.360 4.255 4.086 4.566 0.206 13 0 "[ . 1 . 2]" 1
1390 4 113 CYS H 4 116 SER H 3.300 . 4.800 4.933 4.847 5.023 0.223 14 0 "[ . 1 . 2]" 1
1391 4 114 ILE H 4 115 THR H 2.370 . 2.940 2.767 2.537 2.954 0.014 13 0 "[ . 1 . 2]" 1
1392 4 114 ILE H 4 116 SER H 3.050 . 4.300 4.294 4.161 4.426 0.126 19 0 "[ . 1 . 2]" 1
1393 4 114 ILE H 4 117 MET ME 3.060 . 4.320 3.630 3.525 3.930 . 0 0 "[ . 1 . 2]" 1
1394 4 115 THR H 4 116 SER H 2.320 . 2.840 2.797 2.695 2.856 0.016 17 0 "[ . 1 . 2]" 1
1395 4 115 THR H 4 117 MET H 3.330 . 4.860 4.317 4.174 4.493 . 0 0 "[ . 1 . 2]" 1
1396 4 115 THR H 4 118 VAL H 3.470 . 5.140 4.920 4.829 5.059 . 0 0 "[ . 1 . 2]" 1
1397 4 116 SER H 4 117 MET H 2.350 . 2.900 2.658 2.602 2.707 . 0 0 "[ . 1 . 2]" 1
1398 4 116 SER H 4 118 VAL H 2.960 . 4.120 4.129 4.043 4.285 0.165 12 0 "[ . 1 . 2]" 1
1399 4 116 SER H 4 119 SER H 3.510 . 5.220 4.877 4.746 5.053 . 0 0 "[ . 1 . 2]" 1
1400 4 117 MET H 4 118 VAL H 2.340 . 2.880 2.568 2.309 2.722 . 0 0 "[ . 1 . 2]" 1
1401 4 117 MET H 4 119 SER H 3.150 . 4.500 4.157 3.806 4.348 . 0 0 "[ . 1 . 2]" 1
1402 4 118 VAL H 4 119 SER H 2.320 . 2.840 2.664 2.575 2.741 . 0 0 "[ . 1 . 2]" 1
1403 4 118 VAL MG1 4 119 SER H 3.190 . 4.580 3.517 3.416 3.758 . 0 0 "[ . 1 . 2]" 1
1404 4 118 VAL MG1 4 123 PHE H 3.200 . 4.600 3.590 3.485 3.763 . 0 0 "[ . 1 . 2]" 1
1405 4 118 VAL MG1 4 125 GLN H 3.050 . 4.300 4.283 3.519 4.883 0.583 9 3 "[ . +1 * . -2]" 1
1406 4 118 VAL MG1 4 126 LEU H 3.140 . 4.480 3.477 2.883 4.211 . 0 0 "[ . 1 . 2]" 1
1407 4 118 VAL MG2 4 119 SER H 3.350 . 4.900 3.923 3.861 4.008 . 0 0 "[ . 1 . 2]" 1
1408 4 118 VAL MG2 4 126 LEU H 3.020 . 4.240 3.743 3.046 4.428 0.188 9 0 "[ . 1 . 2]" 1
1409 4 119 SER H 4 121 GLY H 3.020 . 4.240 4.000 3.891 4.114 . 0 0 "[ . 1 . 2]" 1
1410 4 121 GLY H 4 122 THR H 2.310 . 2.820 2.610 2.500 2.699 . 0 0 "[ . 1 . 2]" 1
1411 4 121 GLY H 4 123 PHE H 2.780 . 3.760 3.708 3.559 3.872 0.112 11 0 "[ . 1 . 2]" 1
1412 4 122 THR H 4 123 PHE H 2.330 . 2.860 2.733 2.655 2.870 0.010 16 0 "[ . 1 . 2]" 1
1413 4 125 GLN H 4 126 LEU H 3.340 . 4.880 4.586 4.457 4.705 . 0 0 "[ . 1 . 2]" 1
1414 4 126 LEU H 4 127 ASN H 2.980 . 4.160 4.066 3.837 4.404 0.244 20 0 "[ . 1 . 2]" 1
1415 4 126 LEU QD 4 128 LEU H 3.150 . 4.500 3.636 2.778 5.403 0.903 17 1 "[ . 1 . + 2]" 1
1416 4 127 ASN H 4 128 LEU H 3.130 . 4.460 4.064 3.902 4.220 . 0 0 "[ . 1 . 2]" 1
1417 4 128 LEU H 4 129 ALA H 3.240 . 4.680 4.531 4.459 4.635 . 0 0 "[ . 1 . 2]" 1
1418 4 128 LEU QD 4 129 ALA H 2.650 . 3.500 2.751 1.728 3.668 0.168 6 0 "[ . 1 . 2]" 1
1419 4 128 LEU QD 4 131 VAL MG2 3.480 . 5.160 4.266 2.528 5.864 0.704 13 2 "[ - 1 + . 2]" 1
1420 4 131 VAL H 4 133 PHE H 3.460 . 5.120 5.461 5.001 5.964 0.844 9 6 "[* . *+1 * - * 2]" 1
1421 4 131 VAL MG1 4 133 PHE H 3.410 . 5.020 3.790 2.955 4.576 . 0 0 "[ . 1 . 2]" 1
1422 4 131 VAL MG1 4 136 LEU MD1 3.460 . 5.120 2.626 1.960 4.265 . 0 0 "[ . 1 . 2]" 1
1423 4 131 VAL MG1 4 136 LEU MD2 3.460 . 5.120 3.682 2.451 5.025 . 0 0 "[ . 1 . 2]" 1
1424 4 133 PHE H 4 134 ASP H 2.350 . 2.900 2.573 2.488 2.720 . 0 0 "[ . 1 . 2]" 1
1425 4 133 PHE H 4 135 ALA H 3.180 . 4.560 4.530 4.121 4.824 0.264 2 0 "[ . 1 . 2]" 1
1426 4 133 PHE QD 4 134 ASP H 3.360 . 4.920 4.289 4.037 4.590 . 0 0 "[ . 1 . 2]" 1
1427 4 133 PHE QD 4 136 LEU MD1 3.400 . 5.000 3.040 2.146 4.255 . 0 0 "[ . 1 . 2]" 1
1428 4 134 ASP H 4 135 ALA H 2.360 . 2.920 2.784 2.601 2.937 0.017 1 0 "[ . 1 . 2]" 1
1429 4 134 ASP H 4 136 LEU H 3.160 . 4.520 4.293 4.058 4.871 0.351 20 0 "[ . 1 . 2]" 1
1430 4 134 ASP H 4 137 PHE H 3.520 . 5.240 4.999 4.738 5.562 0.322 15 0 "[ . 1 . 2]" 1
1431 4 135 ALA H 4 136 LEU H 2.330 . 2.860 2.725 2.520 2.970 0.110 20 0 "[ . 1 . 2]" 1
1432 4 135 ALA H 4 137 PHE H 3.200 . 4.600 4.288 4.097 4.697 0.097 15 0 "[ . 1 . 2]" 1
1433 4 135 ALA H 4 138 MET H 3.380 . 4.960 4.826 4.586 5.124 0.164 14 0 "[ . 1 . 2]" 1
1434 4 135 ALA H 4 138 MET ME 3.030 . 4.260 3.438 3.187 4.009 . 0 0 "[ . 1 . 2]" 1
1435 4 135 ALA MB 4 136 LEU H 2.690 . 3.580 2.535 2.187 2.881 . 0 0 "[ . 1 . 2]" 1
1436 4 135 ALA MB 4 136 LEU MD2 3.240 . 4.680 3.462 3.202 3.991 . 0 0 "[ . 1 . 2]" 1
1437 4 135 ALA MB 4 138 MET ME 3.270 . 4.740 3.329 2.563 4.181 . 0 0 "[ . 1 . 2]" 1
1438 4 136 LEU H 4 137 PHE H 2.260 . 2.730 2.692 2.556 2.906 0.176 15 0 "[ . 1 . 2]" 1
1439 4 136 LEU H 4 138 MET H 2.940 . 4.080 4.140 3.732 4.578 0.498 12 0 "[ . 1 . 2]" 1
1440 4 137 PHE H 4 138 MET H 2.290 . 2.780 2.569 2.404 2.791 0.011 12 0 "[ . 1 . 2]" 1
1441 4 137 PHE H 4 139 ASN H 3.140 . 4.480 4.104 3.615 4.617 0.137 1 0 "[ . 1 . 2]" 1
1442 4 137 PHE QD 4 138 MET H 3.390 . 4.980 4.064 3.476 4.707 . 0 0 "[ . 1 . 2]" 1
1443 4 138 MET H 4 139 ASN H 2.360 . 2.920 2.641 2.474 2.921 0.001 1 0 "[ . 1 . 2]" 1
1444 4 138 MET H 4 140 TYR H 3.290 . 4.780 4.229 3.925 4.502 . 0 0 "[ . 1 . 2]" 1
1445 4 139 ASN H 4 140 TYR H 2.380 . 2.960 2.673 2.502 2.828 . 0 0 "[ . 1 . 2]" 1
1446 4 139 ASN H 4 141 LEU H 3.140 . 4.480 4.205 3.966 4.461 . 0 0 "[ . 1 . 2]" 1
1447 4 140 TYR H 4 141 LEU H 2.400 . 3.000 2.648 2.405 2.841 . 0 0 "[ . 1 . 2]" 1
1448 4 140 TYR H 4 141 LEU MD1 3.370 . 4.940 3.767 3.421 4.932 . 0 0 "[ . 1 . 2]" 1
1449 4 140 TYR QD 4 141 LEU H 3.020 . 4.240 3.705 3.397 4.062 . 0 0 "[ . 1 . 2]" 1
1450 4 140 TYR QD 4 141 LEU MD1 3.460 . 5.120 2.081 1.874 2.568 . 0 0 "[ . 1 . 2]" 1
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