NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607132 |
5jtn   |
30082 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jtn
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 1589
_Distance_constraint_stats_list.Viol_count 4503
_Distance_constraint_stats_list.Viol_total 23628.844
_Distance_constraint_stats_list.Viol_max 2.914
_Distance_constraint_stats_list.Viol_rms 0.1440
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0372
_Distance_constraint_stats_list.Viol_average_violations_only 0.2624
_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 1.427 0.187 10 0 "[ . 1 . 2]"
1 11 PHE 33.261 0.979 13 19 "[***-****** *+*******]"
1 12 GLN 31.957 0.979 13 19 "[***-****** *+*******]"
1 13 ILE 0.122 0.036 18 0 "[ . 1 . 2]"
1 14 GLN 2.441 0.318 20 0 "[ . 1 . 2]"
1 15 ARG 3.573 0.304 19 0 "[ . 1 . 2]"
1 16 ILE 0.027 0.027 17 0 "[ . 1 . 2]"
1 17 TYR 0.173 0.060 12 0 "[ . 1 . 2]"
1 18 THR 0.140 0.105 13 0 "[ . 1 . 2]"
1 19 LYS 16.769 0.924 9 15 "[*******-+* * *. ***2]"
1 20 ASP 14.328 0.893 9 17 "[** *****+*****-*** 2]"
1 21 ILE 4.266 0.267 1 0 "[ . 1 . 2]"
1 22 SER 4.218 0.267 1 0 "[ . 1 . 2]"
1 23 PHE 14.223 0.798 5 5 "[ + ** - . *2]"
1 24 GLU 6.902 0.639 8 2 "[ . + 1 . *2]"
1 25 ALA 0.208 0.097 6 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 10.730 0.936 1 9 "[+ . ****-*. **2]"
1 30 HIS 19.567 0.936 1 12 "[+***. ****-*. **2]"
1 31 VAL 12.387 0.959 12 7 "[- * * ** + . * 2]"
1 32 PHE 9.035 0.644 4 6 "[ *-+. 1 ***. 2]"
1 33 GLN 1.200 0.207 19 0 "[ . 1 . 2]"
1 34 LYS 3.049 0.367 17 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TRP 13.971 0.959 12 7 "[- * * ** + . * 2]"
1 37 GLN 4.841 0.497 16 0 "[ . 1 . 2]"
1 39 GLU 14.166 0.956 12 10 "[ * *.** *1*+ - * *]"
1 40 VAL 5.105 0.440 11 0 "[ . 1 . 2]"
1 41 LYS 6.896 0.643 4 5 "[ +. 1 * *- *]"
1 42 LEU 1.056 0.995 1 1 "[+ . 1 . 2]"
1 43 ASP 3.492 0.268 18 0 "[ . 1 . 2]"
1 44 LEU 3.860 0.268 18 0 "[ . 1 . 2]"
1 45 ASP 5.127 0.653 6 3 "[ .+ -1 *. 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 4.161 0.449 20 0 "[ . 1 . 2]"
1 48 SER 4.197 0.449 20 0 "[ . 1 . 2]"
1 49 SER 15.765 1.146 15 17 "[**-** ********+* **]"
1 50 GLN 2.615 0.256 18 0 "[ . 1 . 2]"
1 51 LEU 0.572 0.183 6 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 1.271 0.183 6 0 "[ . 1 . 2]"
1 56 TYR 0.792 0.178 16 0 "[ . 1 . 2]"
1 57 GLU 17.643 1.146 15 17 "[**-** ********+* **]"
1 58 VAL 6.006 0.421 4 0 "[ . 1 . 2]"
1 59 VAL 0.239 0.121 15 0 "[ . 1 . 2]"
1 60 LEU 15.546 0.984 15 19 "[* ************+***-*]"
1 61 ARG 5.127 0.653 6 3 "[ .+ -1 *. 2]"
1 62 VAL 1.695 0.154 11 0 "[ . 1 . 2]"
1 63 THR 1.098 0.128 12 0 "[ . 1 . 2]"
1 64 VAL 4.840 0.673 10 4 "[ * . * + . -2]"
1 65 THR 6.735 0.643 4 5 "[ +. 1 * *- *]"
1 66 ALA 6.327 0.429 2 0 "[ . 1 . 2]"
1 67 SER 17.661 0.956 12 10 "[ * *.** *1*+ - * *]"
1 68 LEU 15.625 0.700 11 6 "[ * . *-*+ . * 2]"
1 69 GLY 16.602 0.651 3 7 "[ + . - **** . * 2]"
1 70 GLU 7.177 0.700 11 3 "[ * . - 1+ . 2]"
1 71 GLU 5.746 0.512 7 1 "[ . + 1 . 2]"
1 72 THR 0.026 0.026 3 0 "[ . 1 . 2]"
1 73 ALA 2.368 0.431 13 0 "[ . 1 . 2]"
1 74 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.142 0.065 19 0 "[ . 1 . 2]"
1 76 CYS 0.973 0.181 18 0 "[ . 1 . 2]"
1 77 GLU 0.831 0.181 18 0 "[ . 1 . 2]"
1 78 VAL 3.428 0.673 10 4 "[ * . * + . -2]"
1 79 GLN 24.986 0.924 9 19 [*******-+**********2]
1 80 GLN 3.663 0.274 9 0 "[ . 1 . 2]"
1 81 GLY 0.105 0.105 13 0 "[ . 1 . 2]"
1 82 GLY 14.859 0.984 15 19 "[* ************+***-*]"
1 83 ILE 4.296 0.304 19 0 "[ . 1 . 2]"
1 84 PHE 4.754 0.421 4 0 "[ . 1 . 2]"
1 85 SER 0.889 0.290 1 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ALA 1.804 0.429 2 0 "[ . 1 . 2]"
1 88 GLY 2.403 0.327 8 0 "[ . 1 . 2]"
1 89 ILE 4.193 0.429 2 0 "[ . 1 . 2]"
1 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 MET 1.173 0.128 8 0 "[ . 1 . 2]"
1 95 ALA 1.561 0.128 8 0 "[ . 1 . 2]"
1 96 HIS 2.048 0.282 1 0 "[ . 1 . 2]"
1 97 CYS 0.126 0.073 13 0 "[ . 1 . 2]"
1 98 LEU 8.557 0.318 1 0 "[ . 1 . 2]"
1 99 GLY 6.397 0.375 13 0 "[ . 1 . 2]"
1 100 ALA 6.097 0.375 13 0 "[ . 1 . 2]"
1 101 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 CYS 3.417 0.227 12 0 "[ . 1 . 2]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 TYR 1.116 0.171 19 0 "[ . 1 . 2]"
1 110 ALA 3.998 0.270 13 0 "[ . 1 . 2]"
1 111 ARG 5.333 0.270 13 0 "[ . 1 . 2]"
1 112 GLU 2.463 0.305 7 0 "[ . 1 . 2]"
1 113 CYS 2.582 0.305 7 0 "[ . 1 . 2]"
1 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 THR 0.012 0.012 15 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLY 5.411 0.516 8 1 "[ . + 1 . 2]"
1 122 THR 0.141 0.141 4 0 "[ . 1 . 2]"
1 123 PHE 3.094 0.344 4 0 "[ . 1 . 2]"
1 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LEU 5.972 0.475 11 0 "[ . 1 . 2]"
1 127 ASN 4.608 0.475 11 0 "[ . 1 . 2]"
1 128 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ALA 0.995 0.995 1 1 "[+ . 1 . 2]"
1 131 VAL 5.891 0.490 16 0 "[ . 1 . 2]"
1 133 PHE 5.524 0.490 16 0 "[ . 1 . 2]"
1 134 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ALA 7.797 0.412 2 0 "[ . 1 . 2]"
1 136 LEU 5.804 0.412 2 0 "[ . 1 . 2]"
1 137 PHE 5.232 0.254 8 0 "[ . 1 . 2]"
1 138 MET 1.910 0.209 15 0 "[ . 1 . 2]"
1 139 ASN 0.662 0.234 18 0 "[ . 1 . 2]"
1 140 TYR 2.317 0.344 15 0 "[ . 1 . 2]"
1 141 LEU 3.189 0.344 15 0 "[ . 1 . 2]"
2 9 MET 10.436 0.907 15 5 "[* . 1* -+ * 2]"
2 10 THR 8.017 0.907 15 6 "[* . 1* *+- * 2]"
2 11 PHE 2.128 0.237 12 0 "[ . 1 . 2]"
2 12 GLN 3.234 0.699 16 1 "[ . 1 .+ 2]"
2 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 GLN 12.293 0.791 10 16 "[ -****+**********]"
2 15 ARG 13.748 0.843 13 19 [****.*******+****-**]
2 16 ILE 0.269 0.098 11 0 "[ . 1 . 2]"
2 17 TYR 2.135 0.300 13 0 "[ . 1 . 2]"
2 18 THR 4.578 0.516 8 1 "[ . + 1 . 2]"
2 19 LYS 0.524 0.212 2 0 "[ . 1 . 2]"
2 20 ASP 0.291 0.096 7 0 "[ . 1 . 2]"
2 21 ILE 7.279 0.798 5 4 "[ + ** - . 2]"
2 22 SER 0.041 0.041 16 0 "[ . 1 . 2]"
2 23 PHE 0.721 0.251 13 0 "[ . 1 . 2]"
2 24 GLU 0.721 0.251 13 0 "[ . 1 . 2]"
2 25 ALA 0.409 0.095 19 0 "[ . 1 . 2]"
2 27 ASN 11.382 0.906 20 12 "[ - *.****1 * * ***+]"
2 28 ALA 11.639 0.910 20 7 "[ ** * 1 * -*+]"
2 30 HIS 9.899 0.910 20 7 "[ ** * 1 * -*+]"
2 31 VAL 13.541 0.906 20 12 "[ - *.****1 * * ***+]"
2 32 PHE 0.507 0.341 18 0 "[ . 1 . 2]"
2 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 ASP 6.489 0.855 4 2 "[ +. - 1 . 2]"
2 36 TRP 6.988 0.855 4 2 "[ +. - 1 . 2]"
2 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 GLU 0.686 0.302 2 0 "[ . 1 . 2]"
2 40 VAL 0.738 0.094 16 0 "[ . 1 . 2]"
2 41 LYS 0.429 0.168 20 0 "[ . 1 . 2]"
2 42 LEU 1.452 0.439 4 0 "[ . 1 . 2]"
2 43 ASP 4.324 0.455 11 0 "[ . 1 . 2]"
2 44 LEU 22.562 1.426 14 14 "[ ***** *-** +** * *]"
2 45 ASP 0.073 0.069 12 0 "[ . 1 . 2]"
2 46 THR 0.002 0.002 2 0 "[ . 1 . 2]"
2 47 ALA 6.463 0.651 9 2 "[ - +1 . 2]"
2 48 SER 2.433 0.278 16 0 "[ . 1 . 2]"
2 49 SER 3.656 1.312 12 1 "[ . 1 + . 2]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 LEU 2.855 0.651 15 1 "[ . 1 + 2]"
2 52 ALA 4.138 0.291 5 0 "[ . 1 . 2]"
2 53 ASP 2.434 0.214 9 0 "[ . 1 . 2]"
2 54 ASP 0.078 0.034 9 0 "[ . 1 . 2]"
2 55 VAL 6.442 1.709 10 3 "[ . *+ - 2]"
2 56 TYR 14.270 1.583 6 9 "[ .+ *** *** *-2]"
2 57 GLU 4.239 1.102 12 2 "[ . 1 + - 2]"
2 58 VAL 2.198 0.324 9 0 "[ . 1 . 2]"
2 59 VAL 5.365 0.651 9 2 "[ - +1 . 2]"
2 60 LEU 7.037 0.850 7 6 "[ * + 1 . ***-]"
2 61 ARG 0.102 0.069 12 0 "[ . 1 . 2]"
2 62 VAL 7.606 0.756 17 6 "[ * * 1 . +**-]"
2 63 THR 4.324 0.455 11 0 "[ . 1 . 2]"
2 64 VAL 12.177 0.692 13 7 "[ * *** -1 *+ . 2]"
2 65 THR 7.278 0.462 1 0 "[ . 1 . 2]"
2 66 ALA 10.151 0.634 20 3 "[ . 1* .- +]"
2 67 SER 0.686 0.302 2 0 "[ . 1 . 2]"
2 68 LEU 7.764 0.593 17 1 "[ . 1 . + 2]"
2 69 GLY 0.122 0.063 7 0 "[ . 1 . 2]"
2 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 GLU 6.656 0.593 17 1 "[ . 1 . + 2]"
2 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 ALA 2.959 0.359 6 0 "[ . 1 . 2]"
2 74 PHE 7.274 0.634 20 3 "[ . 1* .- +]"
2 75 LEU 0.035 0.034 4 0 "[ . 1 . 2]"
2 76 CYS 13.810 0.692 13 7 "[ * *** -1 *+ . 2]"
2 77 GLU 0.289 0.105 5 0 "[ . 1 . 2]"
2 78 VAL 3.446 0.387 14 0 "[ . 1 . 2]"
2 79 GLN 1.576 0.274 19 0 "[ . 1 . 2]"
2 80 GLN 0.791 0.274 19 0 "[ . 1 . 2]"
2 81 GLY 0.014 0.014 12 0 "[ . 1 . 2]"
2 82 GLY 0.089 0.060 19 0 "[ . 1 . 2]"
2 83 ILE 25.489 0.843 13 20 [****-*******+*******]
2 84 PHE 5.146 1.709 10 3 "[ . *+ - 2]"
2 85 SER 3.043 0.699 16 1 "[ . 1 .+ 2]"
2 86 ILE 0.961 0.377 5 0 "[ . 1 . 2]"
2 87 ALA 7.488 0.632 16 3 "[ . 1 *.+ - 2]"
2 88 GLY 0.261 0.225 18 0 "[ . 1 . 2]"
2 89 ILE 6.526 0.572 18 4 "[ . 1* -* + 2]"
2 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 GLY 0.230 0.089 11 0 "[ . 1 . 2]"
2 92 THR 5.344 0.464 2 0 "[ . 1 . 2]"
2 93 GLN 1.197 0.326 16 0 "[ . 1 . 2]"
2 94 MET 15.622 1.216 2 7 "[ + .* ** - .* * 2]"
2 95 ALA 5.094 1.216 2 2 "[ + . - . 2]"
2 96 HIS 1.126 0.326 16 0 "[ . 1 . 2]"
2 97 CYS 6.913 0.608 6 5 "[ .+ 1* - .* * 2]"
2 98 LEU 9.688 1.583 6 9 "[ .+ *** *** *-2]"
2 99 GLY 12.282 0.532 5 2 "[ * + 1 . 2]"
2 100 ALA 5.308 0.449 3 0 "[ . 1 . 2]"
2 101 TYR 5.065 0.500 5 1 "[ + 1 . 2]"
2 102 CYS 8.363 0.532 5 2 "[ - + 1 . 2]"
2 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 110 ALA 2.730 0.314 16 0 "[ . 1 . 2]"
2 111 ARG 2.208 0.202 6 0 "[ . 1 . 2]"
2 112 GLU 0.522 0.314 16 0 "[ . 1 . 2]"
2 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 116 SER 0.092 0.051 11 0 "[ . 1 . 2]"
2 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 118 VAL 0.829 0.171 2 0 "[ . 1 . 2]"
2 119 SER 1.009 0.190 6 0 "[ . 1 . 2]"
2 121 GLY 7.754 0.603 7 3 "[ .-+ 1 * 2]"
2 122 THR 0.035 0.035 8 0 "[ . 1 . 2]"
2 123 PHE 8.763 0.603 7 3 "[ .-+ 1 * 2]"
2 125 GLN 11.322 1.338 17 9 "[ *-*. ** 1 * . +**2]"
2 126 LEU 2.288 0.219 3 0 "[ . 1 . 2]"
2 127 ASN 0.090 0.047 10 0 "[ . 1 . 2]"
2 128 LEU 0.795 0.148 20 0 "[ . 1 . 2]"
2 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 131 VAL 1.002 0.439 4 0 "[ . 1 . 2]"
2 133 PHE 57.756 1.914 6 19 "[* *-*+**************]"
2 134 ASP 42.635 1.914 6 19 "[* *-*+**************]"
2 135 ALA 3.113 0.373 1 0 "[ . 1 . 2]"
2 136 LEU 13.304 1.375 8 7 "[ * *. + ** -*. 2]"
2 137 PHE 7.243 1.294 9 5 "[ . *+* - . *2]"
2 138 MET 0.236 0.236 13 0 "[ . 1 . 2]"
2 139 ASN 3.103 0.653 13 1 "[ . 1 + . 2]"
2 140 TYR 13.474 2.348 8 4 "[ . +*1 **. 2]"
2 141 LEU 16.290 2.348 8 5 "[ . +** *. *2]"
3 9 MET 5.124 1.141 6 5 "[ *.+ * -.* 2]"
3 10 THR 11.938 0.812 4 5 "[ +** 1- *. 2]"
3 11 PHE 15.181 0.689 8 5 "[ ** + 1 *.- 2]"
3 12 GLN 11.381 0.689 8 4 "[ .* + 1 *.- 2]"
3 13 ILE 0.991 0.141 8 0 "[ . 1 . 2]"
3 14 GLN 0.301 0.156 10 0 "[ . 1 . 2]"
3 15 ARG 0.301 0.156 10 0 "[ . 1 . 2]"
3 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 17 TYR 1.538 0.211 6 0 "[ . 1 . 2]"
3 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 19 LYS 9.775 0.706 7 12 "[-* ***+* * * *. * *]"
3 20 ASP 5.413 0.416 7 0 "[ . 1 . 2]"
3 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 22 SER 2.189 0.357 11 0 "[ . 1 . 2]"
3 23 PHE 1.004 0.187 11 0 "[ . 1 . 2]"
3 24 GLU 1.497 0.187 11 0 "[ . 1 . 2]"
3 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 28 ALA 9.555 0.677 15 9 "[** ** -1 ** + *]"
3 30 HIS 11.279 0.677 15 9 "[** ** -1 ** + *]"
3 31 VAL 2.315 0.844 9 1 "[ . +1 . 2]"
3 32 PHE 2.462 0.324 1 0 "[ . 1 . 2]"
3 33 GLN 0.156 0.144 19 0 "[ . 1 . 2]"
3 34 LYS 0.312 0.156 19 0 "[ . 1 . 2]"
3 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 36 TRP 29.977 1.796 19 17 "[* *** ********** *+-]"
3 37 GLN 8.909 0.675 13 7 "[ * * *+*. * -]"
3 39 GLU 9.003 1.257 12 6 "[ * .* 1 +-*. * 2]"
3 40 VAL 3.730 1.110 12 2 "[ . 1 + .- 2]"
3 41 LYS 24.924 2.632 12 17 "[ ** **** **+******-*]"
3 42 LEU 7.772 1.822 12 6 "[ .* - 1*+ *. * 2]"
3 43 ASP 5.161 1.262 9 2 "[ . +1 . - 2]"
3 44 LEU 2.630 0.260 2 0 "[ . 1 . 2]"
3 45 ASP 9.018 0.700 20 3 "[ - . 1 *. +]"
3 46 THR 0.097 0.048 9 0 "[ . 1 . 2]"
3 47 ALA 0.415 0.183 3 0 "[ . 1 . 2]"
3 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 49 SER 5.680 0.400 10 0 "[ . 1 . 2]"
3 50 GLN 1.148 0.211 14 0 "[ . 1 . 2]"
3 51 LEU 0.007 0.007 14 0 "[ . 1 . 2]"
3 52 ALA 0.007 0.007 14 0 "[ . 1 . 2]"
3 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 54 ASP 0.006 0.006 20 0 "[ . 1 . 2]"
3 55 VAL 2.503 0.235 2 0 "[ . 1 . 2]"
3 56 TYR 2.931 0.235 2 0 "[ . 1 . 2]"
3 57 GLU 7.343 0.400 10 0 "[ . 1 . 2]"
3 58 VAL 5.158 0.669 11 2 "[ - 1+ . 2]"
3 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
3 60 LEU 2.180 0.592 20 1 "[ . 1 . +]"
3 61 ARG 7.578 0.700 20 3 "[ - . 1 *. +]"
3 62 VAL 0.082 0.030 8 0 "[ . 1 . 2]"
3 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 64 VAL 1.302 0.321 10 0 "[ . 1 . 2]"
3 65 THR 1.542 0.357 13 0 "[ . 1 . 2]"
3 66 ALA 3.863 0.524 13 1 "[ . 1 + . 2]"
3 67 SER 9.553 1.257 12 6 "[ * .* 1 +*-. * 2]"
3 68 LEU 15.008 0.704 1 11 "[+* *** -** *. **]"
3 69 GLY 5.495 0.410 1 0 "[ . 1 . 2]"
3 70 GLU 15.917 0.704 1 11 "[+* *** -** *. **]"
3 71 GLU 4.545 0.317 11 0 "[ . 1 . 2]"
3 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 73 ALA 2.047 0.380 8 0 "[ . 1 . 2]"
3 74 PHE 0.085 0.085 9 0 "[ . 1 . 2]"
3 75 LEU 0.493 0.158 19 0 "[ . 1 . 2]"
3 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 77 GLU 1.946 0.357 11 0 "[ . 1 . 2]"
3 78 VAL 3.839 0.321 10 0 "[ . 1 . 2]"
3 79 GLN 17.030 0.706 7 12 "[-* ***+* * * *. * *]"
3 80 GLN 0.003 0.003 4 0 "[ . 1 . 2]"
3 81 GLY 1.548 0.211 6 0 "[ . 1 . 2]"
3 82 GLY 0.084 0.051 9 0 "[ . 1 . 2]"
3 83 ILE 0.084 0.051 9 0 "[ . 1 . 2]"
3 84 PHE 4.516 0.669 11 2 "[ - 1+ . 2]"
3 85 SER 0.102 0.083 13 0 "[ . 1 . 2]"
3 86 ILE 0.434 0.174 11 0 "[ . 1 . 2]"
3 87 ALA 6.100 0.812 4 2 "[ +.- 1 . 2]"
3 88 GLY 1.387 0.143 13 0 "[ . 1 . 2]"
3 89 ILE 9.126 1.141 6 6 "[ *.+ ** -.* 2]"
3 90 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
3 91 GLY 4.079 0.570 11 2 "[ . 1+ . - 2]"
3 92 THR 1.713 0.437 12 0 "[ . 1 . 2]"
3 93 GLN 0.183 0.068 3 0 "[ . 1 . 2]"
3 94 MET 5.240 0.565 18 1 "[ . 1 . + 2]"
3 95 ALA 3.905 0.570 11 1 "[ . 1+ . 2]"
3 96 HIS 0.865 0.190 8 0 "[ . 1 . 2]"
3 97 CYS 0.282 0.159 15 0 "[ . 1 . 2]"
3 98 LEU 3.382 0.254 8 0 "[ . 1 . 2]"
3 99 GLY 1.658 0.222 2 0 "[ . 1 . 2]"
3 100 ALA 9.828 0.641 11 2 "[ . - 1+ . 2]"
3 101 TYR 0.324 0.142 12 0 "[ . 1 . 2]"
3 102 CYS 8.498 0.641 11 2 "[ . - 1+ . 2]"
3 109 TYR 0.069 0.050 14 0 "[ . 1 . 2]"
3 110 ALA 3.203 0.215 4 0 "[ . 1 . 2]"
3 111 ARG 3.111 0.215 4 0 "[ . 1 . 2]"
3 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
3 113 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
3 114 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
3 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
3 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
3 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 121 GLY 8.800 0.625 9 10 "[* . +*** **-* *]"
3 122 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 123 PHE 8.800 0.625 9 10 "[* . +*** **-* *]"
3 125 GLN 24.867 1.338 17 17 "[**-** **** ** **+***]"
3 126 LEU 35.391 1.796 19 16 "[* -** ******* ** *+*]"
3 127 ASN 0.834 0.204 16 0 "[ . 1 . 2]"
3 128 LEU 35.652 2.632 12 18 "[ ** *******+***-****]"
3 129 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 131 VAL 3.837 0.915 5 3 "[ * + 1 - . 2]"
3 133 PHE 0.044 0.026 18 0 "[ . 1 . 2]"
3 134 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
3 135 ALA 1.853 0.290 17 0 "[ . 1 . 2]"
3 136 LEU 4.961 0.915 5 3 "[ * + 1 - . 2]"
3 137 PHE 13.707 2.914 13 5 "[ **. 1 +*. - 2]"
3 138 MET 1.527 0.290 17 0 "[ . 1 . 2]"
3 139 ASN 0.014 0.014 14 0 "[ . 1 . 2]"
3 140 TYR 13.186 1.120 17 10 "[ **. * *1 **.*+ **]"
3 141 LEU 23.527 2.914 13 10 "[ **. * *1 +*.** -*]"
4 9 MET 8.065 0.793 19 6 "[ ** 1* .* -+2]"
4 10 THR 0.011 0.011 7 0 "[ . 1 . 2]"
4 11 PHE 6.696 0.432 12 0 "[ . 1 . 2]"
4 12 GLN 7.543 0.432 12 0 "[ . 1 . 2]"
4 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 14 GLN 10.197 0.651 12 6 "[ *-* * + . *2]"
4 15 ARG 3.530 0.369 12 0 "[ . 1 . 2]"
4 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 17 TYR 1.134 0.320 3 0 "[ . 1 . 2]"
4 18 THR 1.058 0.320 3 0 "[ . 1 . 2]"
4 19 LYS 18.827 1.190 15 20 [***-**********+*****]
4 20 ASP 8.536 0.668 15 4 "[ . * 1 - + * 2]"
4 21 ILE 0.065 0.055 15 0 "[ . 1 . 2]"
4 22 SER 0.159 0.090 16 0 "[ . 1 . 2]"
4 23 PHE 0.546 0.214 6 0 "[ . 1 . 2]"
4 24 GLU 1.395 0.552 10 1 "[ . + . 2]"
4 25 ALA 0.165 0.091 6 0 "[ . 1 . 2]"
4 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 28 ALA 16.298 0.858 13 18 "[**********-*+ .*****]"
4 30 HIS 16.460 0.858 13 18 "[**********-*+ .*****]"
4 31 VAL 2.069 0.204 19 0 "[ . 1 . 2]"
4 32 PHE 2.188 0.215 10 0 "[ . 1 . 2]"
4 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 34 LYS 0.006 0.006 2 0 "[ . 1 . 2]"
4 35 ASP 15.709 1.069 17 8 "[* * . * - . +***]"
4 36 TRP 18.857 1.069 17 8 "[* * . * - . +***]"
4 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 39 GLU 3.776 0.841 7 1 "[ . + 1 . 2]"
4 40 VAL 5.488 0.325 9 0 "[ . 1 . 2]"
4 41 LYS 15.768 1.368 12 15 "[ ********* + **-**2]"
4 42 LEU 1.734 0.327 18 0 "[ . 1 . 2]"
4 43 ASP 10.035 0.874 8 7 "[* * . *+*1- .* 2]"
4 44 LEU 0.881 0.174 14 0 "[ . 1 . 2]"
4 45 ASP 6.230 0.713 3 4 "[ -+ . ** 1 . 2]"
4 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 47 ALA 0.119 0.119 4 0 "[ . 1 . 2]"
4 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 49 SER 0.843 0.293 16 0 "[ . 1 . 2]"
4 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 51 LEU 3.213 0.761 5 2 "[ + 1 . - 2]"
4 52 ALA 50.591 1.647 13 19 "[*****-******+** ****]"
4 53 ASP 32.821 1.647 13 19 "[************+** -***]"
4 54 ASP 10.471 0.960 12 10 "[ *-. * **+ ** * *]"
4 55 VAL 17.532 1.091 7 11 "[ **.-+ * ** . ****]"
4 56 TYR 11.549 0.967 18 5 "[ .* - * . + *]"
4 57 GLU 0.922 0.293 16 0 "[ . 1 . 2]"
4 58 VAL 0.123 0.066 12 0 "[ . 1 . 2]"
4 59 VAL 0.119 0.119 4 0 "[ . 1 . 2]"
4 60 LEU 5.824 0.764 14 3 "[* - 1 +. 2]"
4 61 ARG 5.919 0.713 3 4 "[ -+ . ** 1 . 2]"
4 62 VAL 1.344 0.190 13 0 "[ . 1 . 2]"
4 63 THR 9.353 0.874 8 7 "[* * . *+*1- .* 2]"
4 64 VAL 3.122 0.325 9 0 "[ . 1 . 2]"
4 65 THR 15.699 1.368 12 15 "[ ********* + **-**2]"
4 66 ALA 8.515 0.518 18 1 "[ . 1 . + 2]"
4 67 SER 3.782 0.841 7 1 "[ . + 1 . 2]"
4 68 LEU 5.163 0.453 2 0 "[ . 1 . 2]"
4 69 GLY 3.148 0.457 20 0 "[ . 1 . 2]"
4 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 71 GLU 4.689 0.453 2 0 "[ . 1 . 2]"
4 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 73 ALA 0.947 0.169 11 0 "[ . 1 . 2]"
4 74 PHE 3.289 0.328 8 0 "[ . 1 . 2]"
4 75 LEU 0.850 0.552 10 1 "[ . + . 2]"
4 76 CYS 5.047 0.518 18 1 "[ . 1 . + 2]"
4 77 GLU 0.107 0.090 16 0 "[ . 1 . 2]"
4 78 VAL 4.915 0.331 12 0 "[ . 1 . 2]"
4 79 GLN 31.281 1.190 15 20 [************-*+*****]
4 80 GLN 0.450 0.179 19 0 "[ . 1 . 2]"
4 81 GLY 0.182 0.106 17 0 "[ . 1 . 2]"
4 82 GLY 5.404 0.764 14 3 "[* - 1 +. 2]"
4 83 ILE 10.974 0.640 7 5 "[ *-+ * . *2]"
4 84 PHE 4.646 0.651 12 1 "[ . 1 + . 2]"
4 85 SER 1.645 0.376 11 0 "[ . 1 . 2]"
4 86 ILE 9.991 0.967 18 6 "[ . * - ** . + *]"
4 87 ALA 11.375 0.793 19 6 "[ ** 1* .* -+2]"
4 88 GLY 10.288 0.793 17 5 "[ .* 1* *. + -]"
4 89 ILE 9.253 0.793 17 5 "[ .* 1* *. + -]"
4 90 GLU 1.178 0.359 5 0 "[ . 1 . 2]"
4 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 92 THR 0.712 0.252 1 0 "[ . 1 . 2]"
4 93 GLN 3.450 0.873 13 2 "[ - 1 + . 2]"
4 94 MET 5.072 0.767 5 3 "[ * + 1 - . 2]"
4 95 ALA 3.940 0.753 1 3 "[+ - . 1 . *]"
4 96 HIS 4.847 0.873 13 2 "[ - 1 + . 2]"
4 97 CYS 5.785 0.767 5 3 "[ * + 1 - . 2]"
4 98 LEU 7.397 0.753 1 3 "[+ - . 1 . *]"
4 99 GLY 2.052 0.218 10 0 "[ . 1 . 2]"
4 100 ALA 5.346 0.467 10 0 "[ . 1 . 2]"
4 101 TYR 2.770 0.262 1 0 "[ . 1 . 2]"
4 102 CYS 5.596 0.467 10 0 "[ . 1 . 2]"
4 109 TYR 1.859 0.167 20 0 "[ . 1 . 2]"
4 110 ALA 3.679 0.273 20 0 "[ . 1 . 2]"
4 111 ARG 4.037 1.255 18 3 "[ -. * 1 . + 2]"
4 112 GLU 1.060 0.273 20 0 "[ . 1 . 2]"
4 113 CYS 2.040 0.245 9 0 "[ . 1 . 2]"
4 114 ILE 2.694 0.221 16 0 "[ . 1 . 2]"
4 115 THR 0.110 0.057 17 0 "[ . 1 . 2]"
4 116 SER 1.242 0.221 16 0 "[ . 1 . 2]"
4 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
4 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
4 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 121 GLY 0.468 0.161 4 0 "[ . 1 . 2]"
4 122 THR 0.019 0.019 19 0 "[ . 1 . 2]"
4 123 PHE 0.486 0.161 4 0 "[ . 1 . 2]"
4 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 126 LEU 2.148 0.385 9 0 "[ . 1 . 2]"
4 127 ASN 1.779 0.385 9 0 "[ . 1 . 2]"
4 128 LEU 4.608 1.255 18 3 "[ -. * 1 . + 2]"
4 129 ALA 0.699 0.327 18 0 "[ . 1 . 2]"
4 131 VAL 0.073 0.046 7 0 "[ . 1 . 2]"
4 133 PHE 5.911 0.723 5 2 "[ + -1 . 2]"
4 134 ASP 2.553 0.503 9 1 "[ . +1 . 2]"
4 135 ALA 0.831 0.423 8 0 "[ . 1 . 2]"
4 136 LEU 8.533 0.723 5 2 "[ + -1 . 2]"
4 137 PHE 5.533 0.563 1 2 "[+ . 1 - . 2]"
4 138 MET 2.994 0.798 8 3 "[ - + 1* . 2]"
4 139 ASN 2.191 0.798 8 3 "[ - + 1* . 2]"
4 140 TYR 4.649 0.563 1 2 "[+ . 1 - . 2]"
4 141 LEU 0.123 0.088 6 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 3.340 . 4.880 4.484 4.218 4.628 . 0 0 "[ . 1 . 2]" 1
2 1 10 THR H 1 11 PHE H 2.920 . 4.040 4.073 3.797 4.227 0.187 10 0 "[ . 1 . 2]" 1
3 1 10 THR H 1 87 ALA H 2.620 . 3.440 2.924 2.735 3.421 . 0 0 "[ . 1 . 2]" 1
4 1 11 PHE H 1 12 GLN H 3.280 . 4.760 4.170 3.999 4.313 . 0 0 "[ . 1 . 2]" 1
5 1 11 PHE QD 1 12 GLN H 2.430 . 3.060 3.879 3.329 4.039 0.979 13 19 "[***-****** *+*******]" 1
6 1 11 PHE QE 1 12 GLN H 2.990 . 4.180 4.953 4.519 5.153 0.973 13 19 "[***-****** *+*******]" 1
7 1 11 PHE QE 1 84 PHE QD 3.100 . 4.400 3.354 2.905 3.670 . 0 0 "[ . 1 . 2]" 1
8 1 11 PHE QE 1 84 PHE QE 3.440 . 5.080 3.714 3.420 3.924 . 0 0 "[ . 1 . 2]" 1
9 1 11 PHE QE 1 101 TYR QD 3.350 . 4.900 2.785 2.405 3.026 . 0 0 "[ . 1 . 2]" 1
10 1 11 PHE QE 1 101 TYR QE 3.500 . 5.200 3.064 2.870 3.210 . 0 0 "[ . 1 . 2]" 1
11 1 12 GLN H 1 13 ILE H 3.040 . 4.280 4.192 3.929 4.316 0.036 18 0 "[ . 1 . 2]" 1
12 1 12 GLN H 1 85 SER H 2.870 . 3.940 3.517 2.769 3.706 . 0 0 "[ . 1 . 2]" 1
13 1 13 ILE H 1 14 GLN H 3.250 . 4.700 4.384 4.248 4.494 . 0 0 "[ . 1 . 2]" 1
14 1 14 GLN H 1 15 ARG H 2.190 . 2.580 2.369 2.173 2.528 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLN H 1 83 ILE H 3.430 . 5.060 4.948 4.692 5.147 0.087 5 0 "[ . 1 . 2]" 1
16 1 14 GLN H 1 84 PHE H 3.250 . 4.700 4.660 4.472 5.018 0.318 20 0 "[ . 1 . 2]" 1
17 1 14 GLN H 1 84 PHE QD 3.070 . 4.340 4.155 3.614 4.514 0.174 14 0 "[ . 1 . 2]" 1
18 1 14 GLN H 1 85 SER H 2.670 . 3.540 3.419 2.992 3.830 0.290 1 0 "[ . 1 . 2]" 1
19 1 15 ARG H 1 16 ILE H 3.130 . 4.460 3.976 3.824 4.250 . 0 0 "[ . 1 . 2]" 1
20 1 15 ARG H 1 83 ILE H 2.580 . 3.360 3.539 3.389 3.664 0.304 19 0 "[ . 1 . 2]" 1
21 1 16 ILE H 1 17 TYR H 3.210 . 4.620 4.444 4.353 4.508 . 0 0 "[ . 1 . 2]" 1
22 1 16 ILE H 1 83 ILE H 3.450 . 5.100 5.038 4.870 5.127 0.027 17 0 "[ . 1 . 2]" 1
23 1 17 TYR H 1 18 THR H 3.190 . 4.580 4.337 4.253 4.380 . 0 0 "[ . 1 . 2]" 1
24 1 17 TYR H 1 81 GLY H 2.980 . 4.160 4.068 3.941 4.148 . 0 0 "[ . 1 . 2]" 1
25 1 17 TYR QD 1 18 THR H 2.950 . 4.100 3.375 2.914 4.047 . 0 0 "[ . 1 . 2]" 1
26 1 17 TYR QD 1 81 GLY H 3.490 . 5.180 4.626 3.853 4.893 . 0 0 "[ . 1 . 2]" 1
27 1 17 TYR QD 2 28 ALA MB 3.470 . 5.140 3.288 3.056 3.470 . 0 0 "[ . 1 . 2]" 1
28 1 17 TYR QD 2 32 PHE QE 2.990 . 4.180 3.424 3.154 3.605 . 0 0 "[ . 1 . 2]" 1
29 1 17 TYR QE 2 28 ALA MB 3.160 . 4.520 1.869 1.740 2.574 0.060 12 0 "[ . 1 . 2]" 1
30 1 17 TYR QE 2 32 PHE QE 3.120 . 4.440 2.883 2.770 2.990 . 0 0 "[ . 1 . 2]" 1
31 1 18 THR H 1 19 LYS H 3.250 . 4.700 4.374 4.248 4.519 . 0 0 "[ . 1 . 2]" 1
32 1 18 THR H 1 81 GLY H 3.370 . 4.940 4.819 4.684 5.045 0.105 13 0 "[ . 1 . 2]" 1
33 1 18 THR H 2 121 GLY H 3.260 . 4.720 4.033 3.811 4.234 . 0 0 "[ . 1 . 2]" 1
34 1 18 THR H 2 122 THR H 3.460 . 5.120 4.863 4.620 5.155 0.035 8 0 "[ . 1 . 2]" 1
35 1 19 LYS H 1 20 ASP H 2.010 . 2.220 2.272 2.110 2.434 0.214 19 0 "[ . 1 . 2]" 1
36 1 19 LYS H 1 79 GLN H 3.010 . 4.220 4.814 4.561 5.144 0.924 9 15 "[*******-+* * *. ***2]" 1
37 1 19 LYS H 1 80 GLN H 3.340 . 4.880 5.060 4.930 5.154 0.274 9 0 "[ . 1 . 2]" 1
38 1 19 LYS H 1 81 GLY H 2.400 . 3.000 2.545 2.333 2.686 . 0 0 "[ . 1 . 2]" 1
39 1 20 ASP H 1 21 ILE H 3.170 . 4.540 4.248 4.179 4.293 . 0 0 "[ . 1 . 2]" 1
40 1 20 ASP H 1 78 VAL MG1 3.400 . 5.000 4.426 4.161 4.611 . 0 0 "[ . 1 . 2]" 1
41 1 20 ASP H 1 79 GLN H 2.290 . 2.780 3.432 3.148 3.673 0.893 9 17 "[** *****+*****-*** 2]" 1
42 1 20 ASP H 1 81 GLY H 3.430 . 5.060 4.555 4.300 4.757 . 0 0 "[ . 1 . 2]" 1
43 1 21 ILE H 1 22 SER H 2.940 . 4.080 4.291 4.200 4.347 0.267 1 0 "[ . 1 . 2]" 1
44 1 21 ILE H 1 79 GLN H 3.370 . 4.940 4.788 4.637 4.979 0.039 4 0 "[ . 1 . 2]" 1
45 1 21 ILE H 2 23 PHE H 2.930 . 4.060 2.791 2.557 3.058 . 0 0 "[ . 1 . 2]" 1
46 1 22 SER H 1 23 PHE H 3.190 . 4.580 4.104 3.903 4.207 . 0 0 "[ . 1 . 2]" 1
47 1 22 SER H 1 77 GLU H 2.900 . 4.000 3.196 2.903 3.563 . 0 0 "[ . 1 . 2]" 1
48 1 22 SER H 1 78 VAL MG2 3.010 . 4.220 3.129 2.812 3.255 . 0 0 "[ . 1 . 2]" 1
49 1 22 SER H 1 117 MET ME 3.040 . 4.280 3.198 2.738 3.586 . 0 0 "[ . 1 . 2]" 1
50 1 23 PHE H 1 24 GLU H 3.230 . 4.660 4.255 4.022 4.457 . 0 0 "[ . 1 . 2]" 1
51 1 23 PHE H 2 21 ILE H 2.030 . 2.260 2.624 2.316 3.058 0.798 5 4 "[ + ** - . 2]" 1
52 1 23 PHE H 2 22 SER H 3.440 . 5.080 4.926 4.788 5.121 0.041 16 0 "[ . 1 . 2]" 1
53 1 23 PHE QD 1 24 GLU H 2.540 . 3.280 3.504 3.202 3.919 0.639 8 2 "[ . + 1 . -2]" 1
54 1 23 PHE QD 1 25 ALA MB 3.470 . 5.140 4.052 3.646 4.363 . 0 0 "[ . 1 . 2]" 1
55 1 23 PHE QD 1 117 MET ME 3.470 . 5.140 2.509 2.293 2.682 . 0 0 "[ . 1 . 2]" 1
56 1 23 PHE QD 2 21 ILE H 3.140 . 4.480 3.621 2.959 4.099 . 0 0 "[ . 1 . 2]" 1
57 1 23 PHE QE 1 24 GLU H 3.120 . 4.440 4.497 4.174 4.967 0.527 8 1 "[ . + 1 . 2]" 1
58 1 23 PHE QE 1 25 ALA MB 3.010 . 4.220 2.796 2.140 3.276 . 0 0 "[ . 1 . 2]" 1
59 1 23 PHE QE 1 74 PHE QD 3.370 . 4.940 3.083 2.822 3.465 . 0 0 "[ . 1 . 2]" 1
60 1 23 PHE QE 1 121 GLY H 3.200 . 4.600 4.137 3.747 4.424 . 0 0 "[ . 1 . 2]" 1
61 1 24 GLU H 1 25 ALA H 3.130 . 4.460 4.192 3.836 4.354 . 0 0 "[ . 1 . 2]" 1
62 1 24 GLU H 1 75 LEU H 2.560 . 3.320 2.751 2.442 3.012 . 0 0 "[ . 1 . 2]" 1
63 1 24 GLU H 2 21 ILE H 3.530 . 5.250 4.937 4.747 5.080 . 0 0 "[ . 1 . 2]" 1
64 1 25 ALA MB 1 28 ALA H 3.430 . 5.060 3.364 3.023 3.654 . 0 0 "[ . 1 . 2]" 1
65 1 25 ALA MB 1 28 ALA MB 3.050 . 4.300 1.995 1.703 2.305 0.097 6 0 "[ . 1 . 2]" 1
66 1 27 ASN H 1 28 ALA H 2.630 . 3.460 2.662 2.470 2.921 . 0 0 "[ . 1 . 2]" 1
67 1 28 ALA H 1 30 HIS H 2.850 . 3.900 4.425 4.267 4.836 0.936 1 9 "[+ . ****-*. **2]" 1
68 1 28 ALA H 1 31 VAL H 3.340 . 4.880 4.796 4.700 4.904 0.024 2 0 "[ . 1 . 2]" 1
69 1 28 ALA MB 1 30 HIS H 3.410 . 5.020 4.459 4.283 4.714 . 0 0 "[ . 1 . 2]" 1
70 1 28 ALA MB 1 32 PHE QE 3.290 . 4.780 3.007 2.743 3.234 . 0 0 "[ . 1 . 2]" 1
71 1 28 ALA MB 2 17 TYR QD 3.320 . 4.840 2.701 2.241 3.138 . 0 0 "[ . 1 . 2]" 1
72 1 28 ALA MB 2 17 TYR QE 2.970 . 4.140 2.101 1.927 2.249 . 0 0 "[ . 1 . 2]" 1
73 1 30 HIS H 1 31 VAL H 2.130 . 2.460 2.346 2.169 2.479 0.019 12 0 "[ . 1 . 2]" 1
74 1 30 HIS H 1 31 VAL MG1 3.440 . 5.080 3.968 3.696 4.287 . 0 0 "[ . 1 . 2]" 1
75 1 30 HIS H 1 32 PHE H 2.760 . 3.720 4.172 3.989 4.364 0.644 4 6 "[ *-+. 1 ***. 2]" 1
76 1 31 VAL H 1 32 PHE H 2.360 . 2.920 2.485 2.398 2.625 . 0 0 "[ . 1 . 2]" 1
77 1 31 VAL H 1 33 GLN H 3.140 . 4.480 4.063 3.895 4.339 . 0 0 "[ . 1 . 2]" 1
78 1 31 VAL H 1 34 LYS H 3.400 . 5.000 5.073 4.760 5.367 0.367 17 0 "[ . 1 . 2]" 1
79 1 31 VAL MG1 1 32 PHE H 2.410 . 3.020 2.619 2.406 2.909 . 0 0 "[ . 1 . 2]" 1
80 1 31 VAL MG1 1 32 PHE QD 3.050 . 4.300 3.028 2.649 3.360 . 0 0 "[ . 1 . 2]" 1
81 1 31 VAL MG1 1 32 PHE QE 3.250 . 4.700 3.303 2.850 3.792 . 0 0 "[ . 1 . 2]" 1
82 1 31 VAL MG1 1 36 TRP HZ3 3.330 . 4.860 4.329 3.822 5.149 0.289 12 0 "[ . 1 . 2]" 1
83 1 31 VAL MG1 1 123 PHE QE 3.050 . 4.300 2.192 2.010 2.392 . 0 0 "[ . 1 . 2]" 1
84 1 31 VAL MG2 1 32 PHE H 3.410 . 5.020 4.166 3.997 4.302 . 0 0 "[ . 1 . 2]" 1
85 1 31 VAL MG2 1 36 TRP HE3 2.870 . 3.940 4.023 3.244 4.498 0.558 17 1 "[ . 1 . + 2]" 1
86 1 31 VAL MG2 1 36 TRP HZ3 2.590 . 3.380 3.556 2.838 4.339 0.959 12 6 "[- * * ** + . 2]" 1
87 1 31 VAL MG2 1 68 LEU MD1 2.280 . 2.760 1.834 1.643 1.962 0.157 11 0 "[ . 1 . 2]" 1
88 1 31 VAL MG2 1 68 LEU MD2 3.180 . 4.560 3.828 3.476 4.000 . 0 0 "[ . 1 . 2]" 1
89 1 31 VAL MG2 1 73 ALA MB 3.250 . 4.700 2.736 2.429 3.142 . 0 0 "[ . 1 . 2]" 1
90 1 32 PHE H 1 33 GLN H 2.320 . 2.840 2.515 2.254 2.649 . 0 0 "[ . 1 . 2]" 1
91 1 32 PHE H 1 34 LYS H 3.050 . 4.300 3.958 3.626 4.125 . 0 0 "[ . 1 . 2]" 1
92 1 32 PHE QD 1 33 GLN H 3.340 . 4.880 4.625 4.491 4.788 . 0 0 "[ . 1 . 2]" 1
93 1 32 PHE QE 2 17 TYR QD 3.110 . 4.420 3.266 2.852 3.761 . 0 0 "[ . 1 . 2]" 1
94 1 32 PHE QE 2 17 TYR QE 3.250 . 4.700 3.103 2.809 3.576 . 0 0 "[ . 1 . 2]" 1
95 1 33 GLN H 1 34 LYS H 2.050 . 2.300 2.346 2.182 2.507 0.207 19 0 "[ . 1 . 2]" 1
96 1 34 LYS H 1 35 ASP H 3.330 . 4.860 4.622 4.581 4.666 . 0 0 "[ . 1 . 2]" 1
97 1 35 ASP H 1 36 TRP H 3.340 . 4.880 4.522 4.450 4.613 . 0 0 "[ . 1 . 2]" 1
98 1 36 TRP H 1 37 GLN H 2.890 . 3.980 3.928 3.775 4.066 0.086 7 0 "[ . 1 . 2]" 1
99 1 36 TRP HE3 1 37 GLN H 2.920 . 4.040 4.231 3.988 4.537 0.497 16 0 "[ . 1 . 2]" 1
100 1 36 TRP HE3 1 68 LEU MD1 3.150 . 4.500 2.468 1.962 2.905 . 0 0 "[ . 1 . 2]" 1
101 1 36 TRP HE3 1 68 LEU MD2 2.380 . 2.960 2.190 2.090 2.303 . 0 0 "[ . 1 . 2]" 1
102 1 36 TRP HE3 1 73 ALA MB 3.520 . 5.240 3.672 3.558 3.914 . 0 0 "[ . 1 . 2]" 1
103 1 36 TRP HZ3 1 68 LEU MD1 3.110 . 4.420 2.866 2.383 3.619 . 0 0 "[ . 1 . 2]" 1
104 1 36 TRP HZ3 1 68 LEU MD2 2.710 . 3.620 2.819 2.516 3.260 . 0 0 "[ . 1 . 2]" 1
105 1 36 TRP HZ3 1 73 ALA MB 2.420 . 3.040 1.908 1.751 2.221 0.049 14 0 "[ . 1 . 2]" 1
106 1 36 TRP HZ3 1 123 PHE QE 3.480 . 5.160 3.102 2.600 4.105 . 0 0 "[ . 1 . 2]" 1
107 1 37 GLN H 1 68 LEU MD1 3.390 . 4.980 3.888 3.453 4.278 . 0 0 "[ . 1 . 2]" 1
108 1 37 GLN H 1 68 LEU MD2 2.190 . 2.580 1.807 1.666 2.007 0.134 14 0 "[ . 1 . 2]" 1
109 1 39 GLU H 1 40 VAL H 2.850 . 3.900 4.023 3.853 4.340 0.440 11 0 "[ . 1 . 2]" 1
110 1 39 GLU H 1 66 ALA MB 2.980 . 4.160 4.042 3.675 4.589 0.429 2 0 "[ . 1 . 2]" 1
111 1 39 GLU H 1 67 SER H 1.970 . 2.140 2.620 2.150 3.096 0.956 12 10 "[ * *.** *1*+ - * *]" 1
112 1 39 GLU H 1 68 LEU H 3.490 . 5.180 4.898 4.661 5.770 0.590 11 1 "[ . 1+ . 2]" 1
113 1 39 GLU H 1 69 GLY H 3.490 . 5.180 4.257 3.795 5.360 0.180 11 0 "[ . 1 . 2]" 1
114 1 40 VAL H 1 41 LYS H 3.240 . 4.680 4.202 4.008 4.512 . 0 0 "[ . 1 . 2]" 1
115 1 40 VAL MG1 1 41 LYS H 2.850 . 3.900 3.214 2.493 3.441 . 0 0 "[ . 1 . 2]" 1
116 1 40 VAL MG1 1 64 VAL MG1 2.740 . 3.680 1.899 1.790 2.020 0.010 11 0 "[ . 1 . 2]" 1
117 1 40 VAL MG1 1 126 LEU MD1 2.800 . 3.800 1.988 1.687 2.488 0.113 16 0 "[ . 1 . 2]" 1
118 1 40 VAL MG1 1 126 LEU MD2 3.380 . 4.960 2.134 1.757 2.607 0.043 9 0 "[ . 1 . 2]" 1
119 1 40 VAL MG1 1 128 LEU MD2 3.070 . 4.340 3.120 2.405 3.512 . 0 0 "[ . 1 . 2]" 1
120 1 40 VAL MG2 1 66 ALA MB 3.380 . 4.960 1.793 1.538 2.525 0.262 20 0 "[ . 1 . 2]" 1
121 1 40 VAL MG2 1 126 LEU MD1 2.810 . 3.820 2.166 1.829 2.830 . 0 0 "[ . 1 . 2]" 1
122 1 40 VAL MG2 1 126 LEU MD2 3.450 . 5.100 2.838 2.531 3.274 . 0 0 "[ . 1 . 2]" 1
123 1 41 LYS H 1 42 LEU H 3.260 . 4.720 4.401 4.179 4.563 . 0 0 "[ . 1 . 2]" 1
124 1 41 LYS H 1 64 VAL MG1 3.160 . 4.520 4.225 3.272 4.738 0.218 20 0 "[ . 1 . 2]" 1
125 1 41 LYS H 1 65 THR H 2.320 . 2.840 3.125 2.386 3.483 0.643 4 5 "[ +. 1 * *- *]" 1
126 1 41 LYS H 1 66 ALA H 3.480 . 5.160 5.014 4.733 5.329 0.169 5 0 "[ . 1 . 2]" 1
127 1 42 LEU H 1 43 ASP H 3.160 . 4.520 4.235 4.131 4.455 . 0 0 "[ . 1 . 2]" 1
128 1 42 LEU MD1 1 129 ALA H 2.900 . 4.000 2.788 1.833 4.995 0.995 1 1 "[+ . 1 . 2]" 1
129 1 42 LEU MD1 1 129 ALA MB 3.320 . 4.830 3.223 2.108 4.783 . 0 0 "[ . 1 . 2]" 1
130 1 42 LEU MD1 1 131 VAL MG2 3.480 . 5.160 3.347 2.493 5.221 0.061 15 0 "[ . 1 . 2]" 1
131 1 43 ASP H 1 44 LEU H 3.030 . 4.260 4.401 4.189 4.528 0.268 18 0 "[ . 1 . 2]" 1
132 1 43 ASP H 1 63 THR H 2.880 . 3.960 3.306 2.900 3.836 . 0 0 "[ . 1 . 2]" 1
133 1 43 ASP H 1 65 THR H 3.470 . 5.140 4.825 4.396 5.355 0.215 1 0 "[ . 1 . 2]" 1
134 1 44 LEU H 1 45 ASP H 3.270 . 4.740 4.373 4.189 4.528 . 0 0 "[ . 1 . 2]" 1
135 1 44 LEU MD1 1 131 VAL MG1 2.760 . 3.720 1.986 1.912 2.057 . 0 0 "[ . 1 . 2]" 1
136 1 44 LEU MD1 1 131 VAL MG2 2.450 . 3.100 1.846 1.699 1.978 0.101 9 0 "[ . 1 . 2]" 1
137 1 44 LEU MD1 1 133 PHE QE 2.900 . 4.000 2.409 2.109 2.825 . 0 0 "[ . 1 . 2]" 1
138 1 44 LEU MD1 1 136 LEU MD1 3.050 . 4.300 2.781 2.231 3.445 . 0 0 "[ . 1 . 2]" 1
139 1 44 LEU MD2 1 45 ASP H 3.090 . 4.380 3.307 2.984 3.620 . 0 0 "[ . 1 . 2]" 1
140 1 44 LEU MD2 1 60 LEU MD1 3.480 . 5.160 2.896 2.628 3.222 . 0 0 "[ . 1 . 2]" 1
141 1 44 LEU MD2 1 60 LEU MD2 2.650 . 3.500 1.861 1.595 2.216 0.205 12 0 "[ . 1 . 2]" 1
142 1 44 LEU MD2 1 62 VAL MG1 2.970 . 4.140 1.976 1.842 2.169 . 0 0 "[ . 1 . 2]" 1
143 1 44 LEU MD2 1 62 VAL MG2 2.600 . 3.400 2.019 1.945 2.074 . 0 0 "[ . 1 . 2]" 1
144 1 44 LEU MD2 1 63 THR H 3.370 . 4.940 3.447 3.242 3.619 . 0 0 "[ . 1 . 2]" 1
145 1 44 LEU MD2 1 133 PHE QE 3.360 . 4.920 2.961 2.606 3.318 . 0 0 "[ . 1 . 2]" 1
146 1 45 ASP H 1 46 THR H 3.140 . 4.480 4.245 3.978 4.388 . 0 0 "[ . 1 . 2]" 1
147 1 45 ASP H 1 60 LEU MD2 2.720 . 3.640 2.689 2.405 3.066 . 0 0 "[ . 1 . 2]" 1
148 1 45 ASP H 1 61 ARG H 2.510 . 3.220 3.451 2.937 3.873 0.653 6 3 "[ .+ -1 *. 2]" 1
149 1 46 THR H 1 47 ALA H 3.270 . 4.740 4.310 4.132 4.530 . 0 0 "[ . 1 . 2]" 1
150 1 47 ALA H 1 48 SER H 2.870 . 3.940 4.142 3.817 4.389 0.449 20 0 "[ . 1 . 2]" 1
151 1 47 ALA H 1 58 VAL MG1 2.910 . 4.020 3.557 3.136 3.964 . 0 0 "[ . 1 . 2]" 1
152 1 47 ALA H 1 59 VAL H 2.770 . 3.740 3.001 2.717 3.348 . 0 0 "[ . 1 . 2]" 1
153 1 47 ALA MB 1 48 SER H 3.010 . 4.220 3.181 2.623 3.449 . 0 0 "[ . 1 . 2]" 1
154 1 47 ALA MB 1 59 VAL H 3.340 . 4.880 3.794 3.363 4.434 . 0 0 "[ . 1 . 2]" 1
155 1 48 SER H 1 49 SER H 3.260 . 4.720 4.515 4.416 4.590 . 0 0 "[ . 1 . 2]" 1
156 1 48 SER H 1 59 VAL H 3.440 . 5.080 4.732 4.400 5.116 0.036 13 0 "[ . 1 . 2]" 1
157 1 49 SER H 1 50 GLN H 2.950 . 4.100 4.132 3.960 4.356 0.256 18 0 "[ . 1 . 2]" 1
158 1 49 SER H 1 57 GLU H 2.200 . 2.600 3.315 3.028 3.746 1.146 15 17 "[**-** ********+* **]" 1
159 1 50 GLN H 1 51 LEU H 3.200 . 4.600 4.315 4.167 4.420 . 0 0 "[ . 1 . 2]" 1
160 1 50 GLN H 1 57 GLU H 3.330 . 4.860 4.815 4.426 5.113 0.253 1 0 "[ . 1 . 2]" 1
161 1 51 LEU H 1 52 ALA H 2.160 . 2.520 2.342 2.042 2.454 . 0 0 "[ . 1 . 2]" 1
162 1 51 LEU H 1 55 VAL H 3.380 . 4.960 4.924 4.675 5.143 0.183 6 0 "[ . 1 . 2]" 1
163 1 51 LEU H 1 55 VAL MG1 3.130 . 4.460 3.336 3.009 3.656 . 0 0 "[ . 1 . 2]" 1
164 1 51 LEU H 1 56 TYR H 3.480 . 5.160 4.742 4.538 5.005 . 0 0 "[ . 1 . 2]" 1
165 1 51 LEU H 1 57 GLU H 2.990 . 4.180 3.248 3.004 3.654 . 0 0 "[ . 1 . 2]" 1
166 1 51 LEU MD1 1 55 VAL MG1 2.960 . 4.120 2.417 2.143 2.618 . 0 0 "[ . 1 . 2]" 1
167 1 52 ALA H 1 53 ASP H 3.170 . 4.540 4.368 4.333 4.409 . 0 0 "[ . 1 . 2]" 1
168 1 52 ALA H 1 55 VAL H 2.780 . 3.760 3.494 3.330 3.732 . 0 0 "[ . 1 . 2]" 1
169 1 52 ALA H 1 55 VAL MG1 2.880 . 3.960 3.288 2.944 3.590 . 0 0 "[ . 1 . 2]" 1
170 1 52 ALA H 1 55 VAL MG2 3.180 . 4.560 3.900 3.612 4.135 . 0 0 "[ . 1 . 2]" 1
171 1 52 ALA MB 1 53 ASP H 2.310 . 2.820 2.162 2.026 2.538 . 0 0 "[ . 1 . 2]" 1
172 1 52 ALA MB 1 55 VAL MG1 3.500 . 5.200 3.099 2.921 3.277 . 0 0 "[ . 1 . 2]" 1
173 1 52 ALA MB 1 55 VAL MG2 3.030 . 4.260 2.101 1.890 2.427 . 0 0 "[ . 1 . 2]" 1
174 1 53 ASP H 1 54 ASP H 3.280 . 4.760 4.492 4.405 4.557 . 0 0 "[ . 1 . 2]" 1
175 1 53 ASP H 1 55 VAL H 3.340 . 4.880 4.202 4.086 4.379 . 0 0 "[ . 1 . 2]" 1
176 1 53 ASP H 1 55 VAL MG2 3.340 . 4.880 4.079 3.876 4.340 . 0 0 "[ . 1 . 2]" 1
177 1 54 ASP H 1 55 VAL H 2.360 . 2.920 2.765 2.637 2.914 . 0 0 "[ . 1 . 2]" 1
178 1 55 VAL H 1 56 TYR H 2.960 . 4.120 4.108 3.881 4.298 0.178 16 0 "[ . 1 . 2]" 1
179 1 55 VAL H 1 56 TYR QD 3.380 . 4.960 4.448 4.009 4.810 . 0 0 "[ . 1 . 2]" 1
180 1 55 VAL H 1 56 TYR QE 3.390 . 4.980 4.498 3.910 4.941 . 0 0 "[ . 1 . 2]" 1
181 1 55 VAL MG1 1 56 TYR H 3.030 . 4.260 3.130 2.950 3.555 . 0 0 "[ . 1 . 2]" 1
182 1 56 TYR H 1 57 GLU H 3.280 . 4.760 4.252 4.176 4.458 . 0 0 "[ . 1 . 2]" 1
183 1 56 TYR H 1 84 PHE H 2.850 . 3.900 3.667 3.222 3.952 0.052 14 0 "[ . 1 . 2]" 1
184 1 56 TYR H 1 86 ILE H 2.940 . 4.080 3.193 2.738 3.973 . 0 0 "[ . 1 . 2]" 1
185 1 56 TYR QD 1 57 GLU H 3.290 . 4.780 4.455 3.811 4.655 . 0 0 "[ . 1 . 2]" 1
186 1 56 TYR QD 1 86 ILE H 3.320 . 4.830 2.704 2.431 3.033 . 0 0 "[ . 1 . 2]" 1
187 1 56 TYR QD 1 98 LEU MD1 3.010 . 4.220 2.815 2.605 3.221 . 0 0 "[ . 1 . 2]" 1
188 1 56 TYR QD 1 98 LEU MD2 3.290 . 4.780 3.228 2.813 3.544 . 0 0 "[ . 1 . 2]" 1
189 1 56 TYR QE 1 98 LEU MD1 3.460 . 5.120 3.657 3.324 4.145 . 0 0 "[ . 1 . 2]" 1
190 1 57 GLU H 1 58 VAL H 3.100 . 4.400 4.507 4.346 4.572 0.172 19 0 "[ . 1 . 2]" 1
191 1 57 GLU H 1 84 PHE H 3.440 . 5.080 4.484 4.278 4.714 . 0 0 "[ . 1 . 2]" 1
192 1 58 VAL H 1 59 VAL H 3.200 . 4.600 4.326 4.247 4.450 . 0 0 "[ . 1 . 2]" 1
193 1 58 VAL H 1 82 GLY H 2.640 . 3.480 3.045 2.773 3.286 . 0 0 "[ . 1 . 2]" 1
194 1 58 VAL H 1 83 ILE H 3.440 . 5.080 5.081 4.965 5.340 0.260 13 0 "[ . 1 . 2]" 1
195 1 58 VAL H 1 84 PHE H 2.970 . 4.140 4.286 3.971 4.561 0.421 4 0 "[ . 1 . 2]" 1
196 1 58 VAL MG1 1 59 VAL H 2.780 . 3.760 2.523 2.391 2.623 . 0 0 "[ . 1 . 2]" 1
197 1 58 VAL MG1 1 60 LEU H 3.490 . 5.180 3.920 3.692 4.089 . 0 0 "[ . 1 . 2]" 1
198 1 58 VAL MG2 1 59 VAL H 3.490 . 5.180 3.982 3.921 4.057 . 0 0 "[ . 1 . 2]" 1
199 1 58 VAL MG2 1 98 LEU MD2 2.510 . 3.220 2.182 2.011 2.521 . 0 0 "[ . 1 . 2]" 1
200 1 59 VAL H 1 60 LEU H 3.160 . 4.520 4.308 4.246 4.372 . 0 0 "[ . 1 . 2]" 1
201 1 59 VAL H 1 82 GLY H 3.410 . 5.020 4.969 4.891 5.141 0.121 15 0 "[ . 1 . 2]" 1
202 1 59 VAL MG1 1 60 LEU H 2.890 . 3.990 2.612 2.517 2.701 . 0 0 "[ . 1 . 2]" 1
203 1 59 VAL MG2 1 82 GLY H 3.510 . 5.220 3.482 3.236 3.995 . 0 0 "[ . 1 . 2]" 1
204 1 60 LEU H 1 61 ARG H 3.180 . 4.560 4.086 3.890 4.316 . 0 0 "[ . 1 . 2]" 1
205 1 60 LEU H 1 80 GLN H 3.160 . 4.520 3.557 3.397 3.813 . 0 0 "[ . 1 . 2]" 1
206 1 60 LEU H 1 81 GLY H 3.330 . 4.860 4.612 4.450 4.751 . 0 0 "[ . 1 . 2]" 1
207 1 60 LEU H 1 82 GLY H 3.090 . 4.380 5.113 4.805 5.364 0.984 15 19 "[* ************+***-*]" 1
208 1 60 LEU MD1 1 62 VAL MG2 2.910 . 4.020 2.142 2.005 2.482 . 0 0 "[ . 1 . 2]" 1
209 1 60 LEU MD1 1 110 ALA H 3.470 . 5.140 4.107 3.906 4.495 . 0 0 "[ . 1 . 2]" 1
210 1 60 LEU MD1 1 110 ALA MB 3.360 . 4.920 2.416 2.235 2.682 . 0 0 "[ . 1 . 2]" 1
211 1 60 LEU MD1 1 133 PHE QE 3.190 . 4.580 2.954 2.673 3.079 . 0 0 "[ . 1 . 2]" 1
212 1 60 LEU MD2 1 61 ARG H 2.550 . 3.300 2.668 2.208 2.981 . 0 0 "[ . 1 . 2]" 1
213 1 60 LEU MD2 1 62 VAL H 3.340 . 4.880 3.364 3.240 3.554 . 0 0 "[ . 1 . 2]" 1
214 1 60 LEU MD2 1 62 VAL MG2 2.640 . 3.480 1.844 1.646 2.151 0.154 11 0 "[ . 1 . 2]" 1
215 1 60 LEU MD2 1 133 PHE QE 3.360 . 4.920 2.441 2.128 2.776 . 0 0 "[ . 1 . 2]" 1
216 1 61 ARG H 1 62 VAL H 3.110 . 4.410 4.107 3.984 4.177 . 0 0 "[ . 1 . 2]" 1
217 1 62 VAL H 1 63 THR H 3.080 . 4.360 4.405 4.180 4.488 0.128 12 0 "[ . 1 . 2]" 1
218 1 62 VAL H 1 78 VAL H 2.930 . 4.060 3.324 3.076 3.619 . 0 0 "[ . 1 . 2]" 1
219 1 62 VAL H 1 80 GLN H 2.930 . 4.060 3.795 3.661 4.105 0.045 16 0 "[ . 1 . 2]" 1
220 1 62 VAL MG1 1 63 THR H 3.010 . 4.220 2.726 2.617 3.348 . 0 0 "[ . 1 . 2]" 1
221 1 62 VAL MG1 1 64 VAL MG2 2.890 . 3.980 2.247 1.898 2.491 . 0 0 "[ . 1 . 2]" 1
222 1 62 VAL MG1 1 128 LEU MD1 2.450 . 3.100 1.970 1.890 2.041 . 0 0 "[ . 1 . 2]" 1
223 1 62 VAL MG2 1 80 GLN H 3.470 . 5.140 3.951 3.589 4.293 . 0 0 "[ . 1 . 2]" 1
224 1 62 VAL MG2 1 110 ALA MB 2.870 . 3.940 1.884 1.757 2.008 0.043 6 0 "[ . 1 . 2]" 1
225 1 63 THR H 1 64 VAL H 3.180 . 4.560 4.230 3.940 4.425 . 0 0 "[ . 1 . 2]" 1
226 1 64 VAL H 1 65 THR H 3.140 . 4.480 4.246 3.884 4.470 . 0 0 "[ . 1 . 2]" 1
227 1 64 VAL H 1 75 LEU MD1 2.990 . 4.180 3.267 2.746 3.565 . 0 0 "[ . 1 . 2]" 1
228 1 64 VAL H 1 76 CYS H 2.780 . 3.760 3.303 2.929 3.614 . 0 0 "[ . 1 . 2]" 1
229 1 64 VAL H 1 78 VAL H 3.380 . 4.960 5.037 4.579 5.633 0.673 10 4 "[ * . * + . -2]" 1
230 1 64 VAL MG1 1 65 THR H 2.890 . 3.980 2.923 2.585 3.298 . 0 0 "[ . 1 . 2]" 1
231 1 64 VAL MG1 1 76 CYS H 3.500 . 5.200 3.662 3.389 4.146 . 0 0 "[ . 1 . 2]" 1
232 1 64 VAL MG1 1 126 LEU MD1 3.360 . 4.920 3.459 3.226 3.806 . 0 0 "[ . 1 . 2]" 1
233 1 64 VAL MG1 1 126 LEU MD2 2.570 . 3.340 1.790 1.628 1.908 0.172 6 0 "[ . 1 . 2]" 1
234 1 64 VAL MG1 1 128 LEU MD2 2.880 . 3.960 2.768 2.549 2.966 . 0 0 "[ . 1 . 2]" 1
235 1 64 VAL MG2 1 128 LEU MD1 2.710 . 3.620 2.218 1.874 2.393 . 0 0 "[ . 1 . 2]" 1
236 1 64 VAL MG2 1 128 LEU MD2 2.430 . 3.060 2.066 1.811 2.227 . 0 0 "[ . 1 . 2]" 1
237 1 65 THR H 1 66 ALA H 3.250 . 4.700 4.263 4.101 4.470 . 0 0 "[ . 1 . 2]" 1
238 1 66 ALA H 1 67 SER H 2.970 . 4.140 4.277 4.080 4.404 0.264 16 0 "[ . 1 . 2]" 1
239 1 66 ALA H 1 73 ALA H 3.320 . 4.830 4.512 4.287 4.671 . 0 0 "[ . 1 . 2]" 1
240 1 66 ALA H 1 74 PHE H 2.810 . 3.820 3.231 3.065 3.444 . 0 0 "[ . 1 . 2]" 1
241 1 66 ALA MB 1 67 SER H 3.050 . 4.300 3.270 3.110 3.453 . 0 0 "[ . 1 . 2]" 1
242 1 66 ALA MB 1 73 ALA H 3.400 . 5.000 3.829 3.527 4.087 . 0 0 "[ . 1 . 2]" 1
243 1 66 ALA MB 1 73 ALA MB 3.010 . 4.220 2.372 2.077 2.797 . 0 0 "[ . 1 . 2]" 1
244 1 66 ALA MB 1 74 PHE H 2.960 . 4.120 2.850 2.607 3.269 . 0 0 "[ . 1 . 2]" 1
245 1 66 ALA MB 1 74 PHE QD 3.380 . 4.960 3.274 3.129 3.537 . 0 0 "[ . 1 . 2]" 1
246 1 66 ALA MB 1 74 PHE QE 3.040 . 4.280 2.905 2.726 3.250 . 0 0 "[ . 1 . 2]" 1
247 1 67 SER H 1 68 LEU H 3.230 . 4.660 4.339 4.200 4.441 . 0 0 "[ . 1 . 2]" 1
248 1 67 SER H 1 69 GLY H 3.320 . 4.840 5.059 4.719 5.424 0.584 12 1 "[ . 1 + . 2]" 1
249 1 67 SER H 1 73 ALA H 3.180 . 4.560 4.407 4.196 4.824 0.264 2 0 "[ . 1 . 2]" 1
250 1 68 LEU H 1 69 GLY H 2.570 . 3.340 3.623 2.774 3.991 0.651 3 5 "[ + . -** . * 2]" 1
251 1 68 LEU H 1 70 GLU H 3.490 . 5.180 5.223 4.511 5.880 0.700 11 3 "[ * . - 1+ . 2]" 1
252 1 68 LEU H 1 71 GLU H 2.960 . 4.120 4.044 3.422 4.538 0.418 3 0 "[ . 1 . 2]" 1
253 1 68 LEU H 1 72 THR H 3.370 . 4.940 4.789 4.471 4.966 0.026 3 0 "[ . 1 . 2]" 1
254 1 68 LEU H 1 73 ALA H 2.560 . 3.320 3.265 2.915 3.751 0.431 13 0 "[ . 1 . 2]" 1
255 1 68 LEU H 1 73 ALA MB 3.320 . 4.840 3.506 3.076 4.158 . 0 0 "[ . 1 . 2]" 1
256 1 68 LEU MD1 1 73 ALA H 3.430 . 5.060 4.230 3.615 5.000 . 0 0 "[ . 1 . 2]" 1
257 1 68 LEU MD1 1 73 ALA MB 3.250 . 4.700 2.550 1.769 3.042 0.031 12 0 "[ . 1 . 2]" 1
258 1 68 LEU MD2 1 73 ALA MB 3.120 . 4.440 2.744 2.349 3.122 . 0 0 "[ . 1 . 2]" 1
259 1 69 GLY H 1 70 GLU H 2.970 . 4.140 4.221 4.024 4.514 0.374 11 0 "[ . 1 . 2]" 1
260 1 69 GLY H 1 71 GLU H 3.200 . 4.600 4.717 4.387 5.112 0.512 7 1 "[ . + 1 . 2]" 1
261 1 70 GLU H 1 71 GLU H 1.980 . 2.160 2.172 1.931 2.313 0.153 5 0 "[ . 1 . 2]" 1
262 1 71 GLU H 1 72 THR H 3.220 . 4.640 4.450 4.271 4.589 . 0 0 "[ . 1 . 2]" 1
263 1 72 THR H 1 73 ALA H 3.290 . 4.780 4.528 4.479 4.579 . 0 0 "[ . 1 . 2]" 1
264 1 73 ALA H 1 74 PHE H 2.320 . 2.840 2.594 2.441 2.742 . 0 0 "[ . 1 . 2]" 1
265 1 73 ALA MB 1 74 PHE H 2.470 . 3.150 2.161 2.043 2.289 . 0 0 "[ . 1 . 2]" 1
266 1 73 ALA MB 1 74 PHE QD 3.300 . 4.800 2.590 2.384 2.829 . 0 0 "[ . 1 . 2]" 1
267 1 74 PHE H 1 75 LEU H 3.120 . 4.440 4.356 4.317 4.411 . 0 0 "[ . 1 . 2]" 1
268 1 74 PHE QD 1 75 LEU H 3.160 . 4.520 3.399 3.207 3.719 . 0 0 "[ . 1 . 2]" 1
269 1 74 PHE QD 1 123 PHE QD 3.500 . 5.200 3.161 3.022 3.296 . 0 0 "[ . 1 . 2]" 1
270 1 74 PHE QD 1 123 PHE QE 3.340 . 4.880 3.354 3.061 3.521 . 0 0 "[ . 1 . 2]" 1
271 1 74 PHE QE 1 118 VAL MG1 3.420 . 5.040 2.987 2.762 3.129 . 0 0 "[ . 1 . 2]" 1
272 1 74 PHE QE 1 118 VAL MG2 3.150 . 4.500 2.521 2.322 2.810 . 0 0 "[ . 1 . 2]" 1
273 1 74 PHE QE 1 123 PHE QD 3.470 . 5.140 3.627 3.266 3.867 . 0 0 "[ . 1 . 2]" 1
274 1 74 PHE QE 1 126 LEU MD2 3.010 . 4.220 2.284 2.039 2.881 . 0 0 "[ . 1 . 2]" 1
275 1 75 LEU H 1 76 CYS H 3.140 . 4.480 4.263 3.977 4.458 . 0 0 "[ . 1 . 2]" 1
276 1 75 LEU MD1 1 76 CYS H 2.610 . 3.420 2.271 1.735 3.034 0.065 19 0 "[ . 1 . 2]" 1
277 1 75 LEU MD1 1 77 GLU H 3.370 . 4.940 4.506 3.979 4.940 0.000 18 0 "[ . 1 . 2]" 1
278 1 76 CYS H 1 77 GLU H 3.060 . 4.320 4.146 3.768 4.501 0.181 18 0 "[ . 1 . 2]" 1
279 1 77 GLU H 1 78 VAL H 3.160 . 4.520 4.154 4.025 4.311 . 0 0 "[ . 1 . 2]" 1
280 1 77 GLU H 1 78 VAL MG2 3.380 . 4.960 3.480 3.254 3.971 . 0 0 "[ . 1 . 2]" 1
281 1 77 GLU H 1 117 MET ME 2.880 . 3.960 2.805 2.476 3.132 . 0 0 "[ . 1 . 2]" 1
282 1 78 VAL H 1 79 GLN H 3.160 . 4.520 4.082 3.889 4.334 . 0 0 "[ . 1 . 2]" 1
283 1 78 VAL MG1 1 79 GLN H 2.620 . 3.440 3.082 2.582 3.317 . 0 0 "[ . 1 . 2]" 1
284 1 78 VAL MG1 1 80 GLN H 2.930 . 4.060 2.840 2.678 3.197 . 0 0 "[ . 1 . 2]" 1
285 1 78 VAL MG1 1 110 ALA MB 3.470 . 5.140 3.014 2.878 3.482 . 0 0 "[ . 1 . 2]" 1
286 1 78 VAL MG2 1 79 GLN H 3.410 . 5.020 4.092 3.896 4.180 . 0 0 "[ . 1 . 2]" 1
287 1 78 VAL MG2 1 114 ILE H 3.510 . 5.220 3.043 2.916 3.221 . 0 0 "[ . 1 . 2]" 1
288 1 78 VAL MG2 1 117 MET ME 2.750 . 3.700 2.253 2.020 2.464 . 0 0 "[ . 1 . 2]" 1
289 1 79 GLN H 1 80 GLN H 2.900 . 4.000 3.929 3.796 4.019 0.019 3 0 "[ . 1 . 2]" 1
290 1 80 GLN H 1 81 GLY H 3.160 . 4.520 4.175 4.105 4.236 . 0 0 "[ . 1 . 2]" 1
291 1 80 GLN H 1 110 ALA MB 2.900 . 4.000 3.487 3.276 3.655 . 0 0 "[ . 1 . 2]" 1
292 1 81 GLY H 1 82 GLY H 3.300 . 4.800 4.558 4.512 4.590 . 0 0 "[ . 1 . 2]" 1
293 1 82 GLY H 1 83 ILE H 3.120 . 4.440 4.057 3.897 4.251 . 0 0 "[ . 1 . 2]" 1
294 1 83 ILE H 1 84 PHE H 3.270 . 4.740 4.461 4.343 4.514 . 0 0 "[ . 1 . 2]" 1
295 1 84 PHE H 1 85 SER H 3.220 . 4.640 4.241 4.183 4.425 . 0 0 "[ . 1 . 2]" 1
296 1 84 PHE QD 1 85 SER H 3.340 . 4.880 4.297 3.950 4.489 . 0 0 "[ . 1 . 2]" 1
297 1 85 SER H 1 86 ILE H 3.080 . 4.360 4.193 4.013 4.335 . 0 0 "[ . 1 . 2]" 1
298 1 86 ILE H 1 87 ALA H 3.280 . 4.760 4.493 4.371 4.548 . 0 0 "[ . 1 . 2]" 1
299 1 87 ALA H 1 88 GLY H 3.110 . 4.420 4.371 4.336 4.427 0.007 19 0 "[ . 1 . 2]" 1
300 1 87 ALA H 1 89 ILE H 3.110 . 4.410 4.456 4.215 4.839 0.429 2 0 "[ . 1 . 2]" 1
301 1 87 ALA MB 1 88 GLY H 2.720 . 3.640 2.351 2.183 2.499 . 0 0 "[ . 1 . 2]" 1
302 1 88 GLY H 1 89 ILE H 2.220 . 2.640 2.726 2.490 2.967 0.327 8 0 "[ . 1 . 2]" 1
303 1 89 ILE H 1 90 GLU H 3.230 . 4.660 4.436 4.353 4.516 . 0 0 "[ . 1 . 2]" 1
304 1 90 GLU H 1 91 GLY H 3.170 . 4.540 4.388 4.350 4.452 . 0 0 "[ . 1 . 2]" 1
305 1 90 GLU H 1 94 MET H 3.210 . 4.620 3.781 3.447 4.161 . 0 0 "[ . 1 . 2]" 1
306 1 91 GLY H 1 92 THR H 3.330 . 4.860 4.533 4.413 4.633 . 0 0 "[ . 1 . 2]" 1
307 1 91 GLY H 1 94 MET H 3.190 . 4.580 4.034 3.696 4.158 . 0 0 "[ . 1 . 2]" 1
308 1 92 THR H 1 93 GLN H 2.300 . 2.800 2.554 2.427 2.686 . 0 0 "[ . 1 . 2]" 1
309 1 92 THR H 1 94 MET H 3.090 . 4.380 4.184 3.980 4.358 . 0 0 "[ . 1 . 2]" 1
310 1 92 THR H 1 95 ALA H 3.390 . 4.980 4.733 4.565 4.884 . 0 0 "[ . 1 . 2]" 1
311 1 93 GLN H 1 94 MET H 2.380 . 2.960 2.543 2.447 2.652 . 0 0 "[ . 1 . 2]" 1
312 1 93 GLN H 1 95 ALA H 3.080 . 4.360 3.994 3.784 4.171 . 0 0 "[ . 1 . 2]" 1
313 1 93 GLN H 1 96 HIS H 3.400 . 5.000 4.535 4.401 4.851 . 0 0 "[ . 1 . 2]" 1
314 1 94 MET H 1 95 ALA H 2.190 . 2.580 2.625 2.556 2.708 0.128 8 0 "[ . 1 . 2]" 1
315 1 94 MET H 1 96 HIS H 2.990 . 4.180 3.938 3.784 4.087 . 0 0 "[ . 1 . 2]" 1
316 1 94 MET ME 1 97 CYS H 3.520 . 5.240 3.662 3.573 3.912 . 0 0 "[ . 1 . 2]" 1
317 1 94 MET ME 1 98 LEU H 3.300 . 4.800 3.357 3.050 3.623 . 0 0 "[ . 1 . 2]" 1
318 1 94 MET ME 1 98 LEU MD1 3.000 . 4.200 2.677 2.379 2.913 . 0 0 "[ . 1 . 2]" 1
319 1 94 MET ME 1 98 LEU MD2 3.060 . 4.320 2.087 1.707 2.368 0.093 9 0 "[ . 1 . 2]" 1
320 1 95 ALA H 1 96 HIS H 2.230 . 2.660 2.680 2.597 2.766 0.106 19 0 "[ . 1 . 2]" 1
321 1 95 ALA H 1 97 CYS H 3.140 . 4.480 4.128 4.000 4.367 . 0 0 "[ . 1 . 2]" 1
322 1 95 ALA H 1 98 LEU H 3.470 . 5.140 4.897 4.743 5.050 . 0 0 "[ . 1 . 2]" 1
323 1 95 ALA MB 1 96 HIS H 2.690 . 3.580 2.668 2.499 2.852 . 0 0 "[ . 1 . 2]" 1
324 1 95 ALA MB 1 137 PHE QE 3.180 . 4.560 2.682 2.260 3.079 . 0 0 "[ . 1 . 2]" 1
325 1 96 HIS H 1 97 CYS H 2.340 . 2.880 2.604 2.519 2.674 . 0 0 "[ . 1 . 2]" 1
326 1 96 HIS H 1 98 LEU H 2.960 . 4.120 4.176 3.988 4.402 0.282 1 0 "[ . 1 . 2]" 1
327 1 96 HIS H 1 99 GLY H 3.360 . 4.920 4.649 4.472 4.841 . 0 0 "[ . 1 . 2]" 1
328 1 96 HIS H 1 137 PHE QE 3.050 . 4.300 4.001 3.834 4.126 . 0 0 "[ . 1 . 2]" 1
329 1 97 CYS H 1 98 LEU H 2.240 . 2.680 2.535 2.452 2.649 . 0 0 "[ . 1 . 2]" 1
330 1 97 CYS H 1 99 GLY H 2.960 . 4.120 3.923 3.777 4.076 . 0 0 "[ . 1 . 2]" 1
331 1 97 CYS H 1 100 ALA H 3.460 . 5.120 5.032 4.839 5.193 0.073 13 0 "[ . 1 . 2]" 1
332 1 97 CYS H 1 101 TYR H 3.520 . 5.240 5.010 4.784 5.205 . 0 0 "[ . 1 . 2]" 1
333 1 98 LEU H 1 99 GLY H 2.070 . 2.340 2.456 2.334 2.658 0.318 1 0 "[ . 1 . 2]" 1
334 1 98 LEU H 1 100 ALA H 2.870 . 3.940 4.098 3.942 4.195 0.255 15 0 "[ . 1 . 2]" 1
335 1 98 LEU H 1 101 TYR H 3.500 . 5.200 4.947 4.710 5.106 . 0 0 "[ . 1 . 2]" 1
336 1 98 LEU H 1 102 CYS H 3.350 . 4.900 4.965 4.786 5.025 0.125 6 0 "[ . 1 . 2]" 1
337 1 99 GLY H 1 100 ALA H 2.040 . 2.280 2.401 2.261 2.655 0.375 13 0 "[ . 1 . 2]" 1
338 1 99 GLY H 1 100 ALA MB 3.330 . 4.860 3.946 3.867 4.006 . 0 0 "[ . 1 . 2]" 1
339 1 99 GLY H 1 101 TYR H 3.160 . 4.520 4.225 4.016 4.422 . 0 0 "[ . 1 . 2]" 1
340 1 99 GLY H 1 102 CYS H 3.230 . 4.660 4.731 4.598 4.887 0.227 12 0 "[ . 1 . 2]" 1
341 1 99 GLY H 1 137 PHE QD 3.520 . 5.240 4.613 4.268 5.015 . 0 0 "[ . 1 . 2]" 1
342 1 99 GLY H 1 137 PHE QE 3.450 . 5.100 4.526 4.162 5.114 0.014 1 0 "[ . 1 . 2]" 1
343 1 100 ALA H 1 101 TYR H 2.260 . 2.730 2.362 2.270 2.480 . 0 0 "[ . 1 . 2]" 1
344 1 100 ALA H 1 102 CYS H 2.540 . 3.280 3.237 2.995 3.427 0.147 18 0 "[ . 1 . 2]" 1
345 1 100 ALA MB 1 101 TYR H 2.320 . 2.840 2.159 2.067 2.292 . 0 0 "[ . 1 . 2]" 1
346 1 100 ALA MB 1 134 ASP H 3.490 . 5.180 3.432 3.181 3.575 . 0 0 "[ . 1 . 2]" 1
347 1 100 ALA MB 1 137 PHE H 3.380 . 4.960 3.635 3.335 3.967 . 0 0 "[ . 1 . 2]" 1
348 1 100 ALA MB 1 137 PHE QD 3.240 . 4.680 3.271 3.119 3.522 . 0 0 "[ . 1 . 2]" 1
349 1 101 TYR H 1 102 CYS H 2.380 . 2.960 2.695 2.538 2.865 . 0 0 "[ . 1 . 2]" 1
350 1 101 TYR QD 1 102 CYS H 3.140 . 4.480 3.749 3.475 3.940 . 0 0 "[ . 1 . 2]" 1
351 1 102 CYS H 1 105 ILE H 3.530 . 5.250 4.773 4.667 4.978 . 0 0 "[ . 1 . 2]" 1
352 1 109 TYR H 1 110 ALA H 2.190 . 2.580 2.497 2.418 2.582 0.002 13 0 "[ . 1 . 2]" 1
353 1 109 TYR H 1 111 ARG H 2.920 . 4.040 4.075 3.866 4.211 0.171 19 0 "[ . 1 . 2]" 1
354 1 109 TYR QD 1 110 ALA H 3.380 . 4.960 4.034 3.795 4.235 . 0 0 "[ . 1 . 2]" 1
355 1 110 ALA H 1 111 ARG H 2.110 . 2.420 2.616 2.519 2.690 0.270 13 0 "[ . 1 . 2]" 1
356 1 110 ALA H 1 112 GLU H 2.990 . 4.180 4.010 3.799 4.129 . 0 0 "[ . 1 . 2]" 1
357 1 110 ALA H 1 113 CYS H 3.480 . 5.160 4.798 4.692 4.935 . 0 0 "[ . 1 . 2]" 1
358 1 110 ALA MB 1 111 ARG H 2.670 . 3.540 2.363 2.312 2.427 . 0 0 "[ . 1 . 2]" 1
359 1 111 ARG H 1 112 GLU H 2.360 . 2.920 2.860 2.695 3.007 0.087 4 0 "[ . 1 . 2]" 1
360 1 111 ARG H 1 113 CYS H 3.130 . 4.460 4.438 4.358 4.552 0.092 12 0 "[ . 1 . 2]" 1
361 1 112 GLU H 1 113 CYS H 2.220 . 2.640 2.758 2.663 2.945 0.305 7 0 "[ . 1 . 2]" 1
362 1 112 GLU H 1 114 ILE H 3.230 . 4.660 4.247 4.106 4.408 . 0 0 "[ . 1 . 2]" 1
363 1 112 GLU H 3 109 TYR QE 3.490 . 5.180 4.433 4.167 5.118 . 0 0 "[ . 1 . 2]" 1
364 1 113 CYS H 1 114 ILE H 2.400 . 3.000 2.729 2.677 2.788 . 0 0 "[ . 1 . 2]" 1
365 1 113 CYS H 1 115 THR H 3.180 . 4.560 4.252 4.114 4.572 0.012 15 0 "[ . 1 . 2]" 1
366 1 113 CYS H 1 116 SER H 3.500 . 5.200 4.861 4.749 5.023 . 0 0 "[ . 1 . 2]" 1
367 1 114 ILE H 1 115 THR H 2.430 . 3.060 2.739 2.573 2.873 . 0 0 "[ . 1 . 2]" 1
368 1 114 ILE H 1 116 SER H 3.090 . 4.380 4.176 4.017 4.331 . 0 0 "[ . 1 . 2]" 1
369 1 115 THR H 1 116 SER H 2.360 . 2.920 2.709 2.620 2.855 . 0 0 "[ . 1 . 2]" 1
370 1 115 THR H 1 117 MET H 3.370 . 4.940 4.297 4.168 4.475 . 0 0 "[ . 1 . 2]" 1
371 1 115 THR H 1 118 VAL H 3.500 . 5.200 4.818 4.740 4.915 . 0 0 "[ . 1 . 2]" 1
372 1 116 SER H 1 117 MET H 2.370 . 2.940 2.640 2.560 2.723 . 0 0 "[ . 1 . 2]" 1
373 1 116 SER H 1 118 VAL H 2.990 . 4.180 4.029 3.919 4.155 . 0 0 "[ . 1 . 2]" 1
374 1 116 SER H 1 119 SER H 3.450 . 5.100 4.761 4.686 4.841 . 0 0 "[ . 1 . 2]" 1
375 1 117 MET H 1 118 VAL H 2.370 . 2.940 2.706 2.618 2.778 . 0 0 "[ . 1 . 2]" 1
376 1 117 MET H 1 119 SER H 3.160 . 4.520 4.292 4.222 4.379 . 0 0 "[ . 1 . 2]" 1
377 1 118 VAL H 1 119 SER H 2.320 . 2.840 2.725 2.614 2.802 . 0 0 "[ . 1 . 2]" 1
378 1 118 VAL MG1 1 119 SER H 3.130 . 4.460 3.329 3.194 3.498 . 0 0 "[ . 1 . 2]" 1
379 1 118 VAL MG1 1 123 PHE H 3.100 . 4.400 3.624 3.261 3.911 . 0 0 "[ . 1 . 2]" 1
380 1 118 VAL MG1 1 123 PHE QD 3.250 . 4.700 3.461 3.104 3.657 . 0 0 "[ . 1 . 2]" 1
381 1 118 VAL MG1 1 126 LEU H 3.360 . 4.920 2.792 2.478 3.067 . 0 0 "[ . 1 . 2]" 1
382 1 118 VAL MG2 1 119 SER H 3.340 . 4.880 3.881 3.746 3.981 . 0 0 "[ . 1 . 2]" 1
383 1 118 VAL MG2 1 126 LEU MD2 3.000 . 4.200 2.241 1.829 2.732 . 0 0 "[ . 1 . 2]" 1
384 1 119 SER H 1 121 GLY H 3.160 . 4.520 3.900 3.738 4.087 . 0 0 "[ . 1 . 2]" 1
385 1 121 GLY H 1 122 THR H 2.450 . 3.100 2.698 2.573 2.872 . 0 0 "[ . 1 . 2]" 1
386 1 121 GLY H 1 123 PHE H 2.730 . 3.660 3.813 3.633 4.004 0.344 4 0 "[ . 1 . 2]" 1
387 1 121 GLY H 2 18 THR H 2.990 . 4.180 4.267 3.970 4.696 0.516 8 1 "[ . + 1 . 2]" 1
388 1 122 THR H 1 123 PHE H 2.400 . 3.000 2.778 2.512 2.899 . 0 0 "[ . 1 . 2]" 1
389 1 122 THR H 2 18 THR H 3.090 . 4.380 4.132 3.793 4.521 0.141 4 0 "[ . 1 . 2]" 1
390 1 125 GLN H 1 126 LEU H 3.330 . 4.860 4.541 4.428 4.588 . 0 0 "[ . 1 . 2]" 1
391 1 126 LEU H 1 127 ASN H 2.890 . 3.980 4.209 3.948 4.455 0.475 11 0 "[ . 1 . 2]" 1
392 1 126 LEU MD1 1 127 ASN H 2.920 . 4.040 2.627 2.122 3.299 . 0 0 "[ . 1 . 2]" 1
393 1 126 LEU MD1 1 128 LEU MD2 3.070 . 4.340 2.818 2.484 3.270 . 0 0 "[ . 1 . 2]" 1
394 1 126 LEU MD2 1 128 LEU MD2 3.170 . 4.540 2.493 2.174 2.783 . 0 0 "[ . 1 . 2]" 1
395 1 127 ASN H 1 128 LEU H 3.180 . 4.560 4.292 4.101 4.425 . 0 0 "[ . 1 . 2]" 1
396 1 128 LEU H 1 129 ALA H 3.240 . 4.680 4.611 4.532 4.663 . 0 0 "[ . 1 . 2]" 1
397 1 131 VAL H 1 133 PHE H 3.510 . 5.220 5.487 5.204 5.710 0.490 16 0 "[ . 1 . 2]" 1
398 1 131 VAL MG1 1 133 PHE H 3.000 . 4.200 3.080 2.947 3.209 . 0 0 "[ . 1 . 2]" 1
399 1 131 VAL MG1 1 133 PHE QD 3.310 . 4.820 3.302 3.004 3.592 . 0 0 "[ . 1 . 2]" 1
400 1 131 VAL MG1 1 133 PHE QE 3.300 . 4.800 3.365 3.147 3.602 . 0 0 "[ . 1 . 2]" 1
401 1 131 VAL MG1 1 136 LEU MD1 2.370 . 2.940 2.017 1.868 2.133 . 0 0 "[ . 1 . 2]" 1
402 1 131 VAL MG2 1 133 PHE QE 3.470 . 5.140 3.941 3.812 4.150 . 0 0 "[ . 1 . 2]" 1
403 1 133 PHE H 1 134 ASP H 2.370 . 2.940 2.701 2.607 2.816 . 0 0 "[ . 1 . 2]" 1
404 1 133 PHE H 1 135 ALA H 3.180 . 4.560 4.386 4.158 4.604 0.044 18 0 "[ . 1 . 2]" 1
405 1 133 PHE H 1 136 LEU H 3.330 . 4.860 4.785 4.679 4.971 0.111 18 0 "[ . 1 . 2]" 1
406 1 133 PHE QD 1 134 ASP H 3.300 . 4.800 4.257 3.867 4.645 . 0 0 "[ . 1 . 2]" 1
407 1 133 PHE QD 1 136 LEU MD1 3.460 . 5.120 3.009 2.607 3.866 . 0 0 "[ . 1 . 2]" 1
408 1 134 ASP H 1 135 ALA H 2.340 . 2.880 2.689 2.524 2.879 . 0 0 "[ . 1 . 2]" 1
409 1 134 ASP H 1 136 LEU H 3.050 . 4.300 4.042 3.860 4.228 . 0 0 "[ . 1 . 2]" 1
410 1 135 ALA H 1 136 LEU H 2.090 . 2.380 2.664 2.464 2.792 0.412 2 0 "[ . 1 . 2]" 1
411 1 135 ALA H 1 137 PHE H 2.980 . 4.160 4.226 3.977 4.414 0.254 8 0 "[ . 1 . 2]" 1
412 1 135 ALA H 1 138 MET H 3.300 . 4.800 4.657 4.408 4.889 0.089 11 0 "[ . 1 . 2]" 1
413 1 135 ALA MB 1 136 LEU H 2.660 . 3.520 2.514 2.281 2.665 . 0 0 "[ . 1 . 2]" 1
414 1 136 LEU H 1 137 PHE H 2.370 . 2.940 2.737 2.631 2.864 . 0 0 "[ . 1 . 2]" 1
415 1 136 LEU H 1 138 MET H 3.060 . 4.320 4.022 3.819 4.251 . 0 0 "[ . 1 . 2]" 1
416 1 137 PHE H 1 138 MET H 2.140 . 2.480 2.563 2.473 2.689 0.209 15 0 "[ . 1 . 2]" 1
417 1 137 PHE H 1 139 ASN H 3.050 . 4.300 4.235 3.987 4.534 0.234 18 0 "[ . 1 . 2]" 1
418 1 137 PHE QD 1 138 MET H 3.170 . 4.540 3.820 3.459 4.198 . 0 0 "[ . 1 . 2]" 1
419 1 137 PHE QD 1 141 LEU H 3.260 . 4.720 4.432 3.937 4.900 0.180 18 0 "[ . 1 . 2]" 1
420 1 137 PHE QE 1 141 LEU MD1 3.400 . 5.000 2.146 1.585 3.114 0.215 13 0 "[ . 1 . 2]" 1
421 1 138 MET H 1 139 ASN H 2.360 . 2.920 2.702 2.534 2.847 . 0 0 "[ . 1 . 2]" 1
422 1 138 MET H 1 140 TYR H 3.150 . 4.500 4.196 3.675 4.585 0.085 1 0 "[ . 1 . 2]" 1
423 1 138 MET H 1 141 LEU H 3.280 . 4.760 4.539 4.314 4.669 . 0 0 "[ . 1 . 2]" 1
424 1 138 MET ME 1 141 LEU MD2 2.420 . 3.040 2.204 1.789 2.970 0.011 2 0 "[ . 1 . 2]" 1
425 1 139 ASN H 1 140 TYR H 2.360 . 2.920 2.711 2.459 2.891 . 0 0 "[ . 1 . 2]" 1
426 1 139 ASN H 1 141 LEU H 3.040 . 4.280 3.930 3.730 4.230 . 0 0 "[ . 1 . 2]" 1
427 1 140 TYR H 1 141 LEU H 2.090 . 2.380 2.471 2.210 2.724 0.344 15 0 "[ . 1 . 2]" 1
428 1 140 TYR QD 1 141 LEU H 3.060 . 4.320 3.821 3.438 4.066 . 0 0 "[ . 1 . 2]" 1
429 2 9 MET H 2 10 THR H 3.240 . 4.680 4.506 4.419 4.679 . 0 0 "[ . 1 . 2]" 1
430 2 9 MET ME 2 10 THR H 2.380 . 2.960 3.135 2.512 3.867 0.907 15 5 "[* . 1- *+ * 2]" 1
431 2 9 MET ME 2 87 ALA H 2.280 . 2.760 2.808 2.175 3.391 0.631 14 1 "[ . 1 +. 2]" 1
432 2 9 MET ME 2 89 ILE H 2.750 . 3.700 3.594 2.984 4.268 0.568 15 3 "[ . 1* -+ 2]" 1
433 2 10 THR H 2 11 PHE H 2.910 . 4.020 4.039 3.675 4.257 0.237 12 0 "[ . 1 . 2]" 1
434 2 10 THR H 2 87 ALA H 2.650 . 3.500 3.270 2.692 4.132 0.632 16 1 "[ . 1 .+ 2]" 1
435 2 10 THR H 2 89 ILE H 3.500 . 5.200 3.890 3.393 4.343 . 0 0 "[ . 1 . 2]" 1
436 2 11 PHE H 2 12 GLN H 3.120 . 4.440 4.380 4.243 4.506 0.066 9 0 "[ . 1 . 2]" 1
437 2 11 PHE QD 2 12 GLN H 2.730 . 3.660 3.328 2.554 3.572 . 0 0 "[ . 1 . 2]" 1
438 2 11 PHE QE 2 12 GLN H 3.350 . 4.900 4.291 4.083 4.493 . 0 0 "[ . 1 . 2]" 1
439 2 11 PHE QE 2 101 TYR QD 3.480 . 5.160 3.293 2.559 4.121 . 0 0 "[ . 1 . 2]" 1
440 2 12 GLN H 2 13 ILE H 3.070 . 4.340 4.188 3.862 4.286 . 0 0 "[ . 1 . 2]" 1
441 2 12 GLN H 2 85 SER H 2.500 . 3.200 3.285 2.740 3.899 0.699 16 1 "[ . 1 .+ 2]" 1
442 2 13 ILE H 2 14 GLN H 3.320 . 4.830 4.492 4.299 4.652 . 0 0 "[ . 1 . 2]" 1
443 2 14 GLN H 2 15 ARG H 2.030 . 2.260 2.204 2.062 2.415 0.155 10 0 "[ . 1 . 2]" 1
444 2 14 GLN H 2 83 ILE H 3.010 . 4.220 4.810 4.649 5.011 0.791 10 16 "[ -****+**********]" 1
445 2 14 GLN H 2 84 PHE H 3.460 . 5.120 4.898 4.671 5.258 0.138 3 0 "[ . 1 . 2]" 1
446 2 14 GLN H 2 84 PHE QD 3.210 . 4.620 3.928 3.392 4.479 . 0 0 "[ . 1 . 2]" 1
447 2 14 GLN H 2 85 SER H 3.430 . 5.060 3.988 3.532 4.610 . 0 0 "[ . 1 . 2]" 1
448 2 15 ARG H 2 16 ILE H 3.040 . 4.280 4.079 3.962 4.257 . 0 0 "[ . 1 . 2]" 1
449 2 15 ARG H 2 83 ILE H 2.310 . 2.820 3.489 3.211 3.663 0.843 13 19 [****.*******+****-**] 1
450 2 16 ILE H 2 17 TYR H 3.260 . 4.720 4.466 4.336 4.528 . 0 0 "[ . 1 . 2]" 1
451 2 16 ILE H 2 83 ILE H 3.500 . 5.200 5.111 4.790 5.298 0.098 11 0 "[ . 1 . 2]" 1
452 2 17 TYR H 2 18 THR H 3.190 . 4.580 4.237 4.183 4.322 . 0 0 "[ . 1 . 2]" 1
453 2 17 TYR H 2 81 GLY H 2.880 . 3.960 3.844 3.699 3.974 0.014 12 0 "[ . 1 . 2]" 1
454 2 17 TYR QD 2 18 THR H 2.990 . 4.180 4.173 3.638 4.480 0.300 13 0 "[ . 1 . 2]" 1
455 2 17 TYR QD 2 81 GLY H 3.500 . 5.200 4.157 3.719 4.500 . 0 0 "[ . 1 . 2]" 1
456 2 18 THR H 2 19 LYS H 3.230 . 4.660 4.438 4.323 4.487 . 0 0 "[ . 1 . 2]" 1
457 2 19 LYS H 2 20 ASP H 2.170 . 2.540 2.263 2.154 2.555 0.015 1 0 "[ . 1 . 2]" 1
458 2 19 LYS H 2 79 GLN H 3.040 . 4.280 4.229 4.038 4.492 0.212 2 0 "[ . 1 . 2]" 1
459 2 19 LYS H 2 81 GLY H 2.530 . 3.260 3.014 2.806 3.198 . 0 0 "[ . 1 . 2]" 1
460 2 20 ASP H 2 21 ILE H 3.170 . 4.540 4.243 4.148 4.328 . 0 0 "[ . 1 . 2]" 1
461 2 20 ASP H 2 78 VAL MG1 3.430 . 5.060 4.077 3.807 4.201 . 0 0 "[ . 1 . 2]" 1
462 2 20 ASP H 2 79 GLN H 2.520 . 3.240 3.132 2.787 3.336 0.096 7 0 "[ . 1 . 2]" 1
463 2 21 ILE H 2 22 SER H 3.220 . 4.640 4.285 4.240 4.344 . 0 0 "[ . 1 . 2]" 1
464 2 22 SER H 2 23 PHE H 3.120 . 4.440 4.131 3.932 4.219 . 0 0 "[ . 1 . 2]" 1
465 2 22 SER H 2 77 GLU H 2.670 . 3.540 3.181 2.912 3.406 . 0 0 "[ . 1 . 2]" 1
466 2 22 SER H 2 78 VAL H 3.520 . 5.240 5.071 4.945 5.213 . 0 0 "[ . 1 . 2]" 1
467 2 22 SER H 2 78 VAL MG2 2.980 . 4.160 3.617 2.992 4.145 . 0 0 "[ . 1 . 2]" 1
468 2 23 PHE H 2 24 GLU H 2.910 . 4.020 3.977 3.785 4.271 0.251 13 0 "[ . 1 . 2]" 1
469 2 23 PHE QD 2 24 GLU H 2.940 . 4.080 3.793 3.508 3.986 . 0 0 "[ . 1 . 2]" 1
470 2 23 PHE QE 2 121 GLY H 3.270 . 4.740 3.793 3.381 4.143 . 0 0 "[ . 1 . 2]" 1
471 2 24 GLU H 2 25 ALA H 3.250 . 4.700 4.090 3.932 4.301 . 0 0 "[ . 1 . 2]" 1
472 2 24 GLU H 2 75 LEU H 2.640 . 3.480 2.906 2.623 3.197 . 0 0 "[ . 1 . 2]" 1
473 2 25 ALA MB 2 27 ASN H 3.300 . 4.800 3.893 3.641 4.165 . 0 0 "[ . 1 . 2]" 1
474 2 25 ALA MB 2 28 ALA H 2.860 . 3.920 3.087 2.831 3.542 . 0 0 "[ . 1 . 2]" 1
475 2 25 ALA MB 2 28 ALA MB 2.580 . 3.360 1.858 1.705 2.047 0.095 19 0 "[ . 1 . 2]" 1
476 2 27 ASN H 2 28 ALA H 2.270 . 2.740 2.499 2.262 2.758 0.018 3 0 "[ . 1 . 2]" 1
477 2 27 ASN H 2 31 VAL H 3.440 . 5.080 5.648 5.411 5.986 0.906 20 12 "[ - *.****1 * * ***+]" 1
478 2 28 ALA H 2 30 HIS H 3.020 . 4.240 4.710 4.502 5.150 0.910 20 7 "[ ** * 1 * -*+]" 1
479 2 28 ALA H 2 31 VAL H 3.290 . 4.780 4.862 4.769 4.997 0.217 20 0 "[ . 1 . 2]" 1
480 2 28 ALA MB 2 32 PHE QE 3.400 . 5.000 3.349 3.087 3.621 . 0 0 "[ . 1 . 2]" 1
481 2 30 HIS H 2 31 VAL H 2.330 . 2.860 2.298 2.226 2.380 . 0 0 "[ . 1 . 2]" 1
482 2 30 HIS H 2 32 PHE H 2.910 . 4.020 3.956 3.752 4.361 0.341 18 0 "[ . 1 . 2]" 1
483 2 31 VAL H 2 32 PHE H 2.400 . 3.000 2.531 2.394 2.640 . 0 0 "[ . 1 . 2]" 1
484 2 31 VAL H 2 33 GLN H 3.240 . 4.680 4.393 4.219 4.472 . 0 0 "[ . 1 . 2]" 1
485 2 31 VAL MG1 2 32 PHE H 2.430 . 3.060 2.799 2.645 2.943 . 0 0 "[ . 1 . 2]" 1
486 2 31 VAL MG1 2 32 PHE QD 3.220 . 4.640 2.955 2.524 3.323 . 0 0 "[ . 1 . 2]" 1
487 2 31 VAL MG1 2 68 LEU MD1 3.290 . 4.780 2.784 2.330 3.001 . 0 0 "[ . 1 . 2]" 1
488 2 31 VAL MG1 2 123 PHE QE 2.650 . 3.500 2.228 1.954 2.464 . 0 0 "[ . 1 . 2]" 1
489 2 31 VAL MG2 2 32 PHE H 3.430 . 5.060 4.239 4.148 4.343 . 0 0 "[ . 1 . 2]" 1
490 2 31 VAL MG2 2 34 LYS H 3.470 . 5.140 4.167 3.939 4.309 . 0 0 "[ . 1 . 2]" 1
491 2 31 VAL MG2 2 68 LEU H 2.980 . 4.160 3.186 3.036 3.443 . 0 0 "[ . 1 . 2]" 1
492 2 31 VAL MG2 2 68 LEU MD1 2.390 . 2.980 1.848 1.642 2.077 0.158 6 0 "[ . 1 . 2]" 1
493 2 31 VAL MG2 2 73 ALA H 3.490 . 5.180 3.891 3.658 4.140 . 0 0 "[ . 1 . 2]" 1
494 2 31 VAL MG2 2 73 ALA MB 2.980 . 4.160 2.777 2.337 2.986 . 0 0 "[ . 1 . 2]" 1
495 2 31 VAL MG2 2 123 PHE QE 3.480 . 5.160 3.232 2.891 3.652 . 0 0 "[ . 1 . 2]" 1
496 2 32 PHE H 2 33 GLN H 2.380 . 2.960 2.692 2.558 2.778 . 0 0 "[ . 1 . 2]" 1
497 2 32 PHE H 2 34 LYS H 3.190 . 4.580 4.259 4.154 4.420 . 0 0 "[ . 1 . 2]" 1
498 2 32 PHE QD 2 33 GLN H 3.360 . 4.920 4.753 4.679 4.856 . 0 0 "[ . 1 . 2]" 1
499 2 33 GLN H 2 34 LYS H 2.340 . 2.880 2.558 2.489 2.658 . 0 0 "[ . 1 . 2]" 1
500 2 34 LYS H 2 35 ASP H 3.200 . 4.600 4.033 3.568 4.295 . 0 0 "[ . 1 . 2]" 1
501 2 35 ASP H 2 36 TRP H 2.870 . 3.940 3.834 3.664 4.039 0.099 5 0 "[ . 1 . 2]" 1
502 2 35 ASP H 2 36 TRP HE3 2.550 . 3.300 3.380 2.902 4.044 0.744 4 2 "[ +. - 1 . 2]" 1
503 2 35 ASP H 2 36 TRP HZ3 2.910 . 4.020 3.926 3.250 4.875 0.855 4 2 "[ +. - 1 . 2]" 1
504 2 36 TRP H 2 37 GLN H 3.150 . 4.500 4.345 4.308 4.392 . 0 0 "[ . 1 . 2]" 1
505 2 36 TRP H 2 68 LEU MD1 3.430 . 5.060 3.812 3.528 4.202 . 0 0 "[ . 1 . 2]" 1
506 2 36 TRP H 2 68 LEU MD2 2.930 . 4.060 2.861 2.591 2.999 . 0 0 "[ . 1 . 2]" 1
507 2 36 TRP HE1 2 39 GLU H 3.450 . 5.100 4.345 3.615 4.982 . 0 0 "[ . 1 . 2]" 1
508 2 36 TRP HE1 2 68 LEU MD2 2.330 . 2.860 2.749 2.459 3.063 0.203 13 0 "[ . 1 . 2]" 1
509 2 36 TRP HE1 2 69 GLY H 2.620 . 3.440 2.643 2.116 3.223 . 0 0 "[ . 1 . 2]" 1
510 2 39 GLU H 2 40 VAL H 3.190 . 4.580 4.316 4.214 4.465 . 0 0 "[ . 1 . 2]" 1
511 2 39 GLU H 2 67 SER H 2.560 . 3.320 3.144 2.721 3.622 0.302 2 0 "[ . 1 . 2]" 1
512 2 40 VAL H 2 41 LYS H 3.310 . 4.820 4.483 4.391 4.538 . 0 0 "[ . 1 . 2]" 1
513 2 40 VAL MG1 2 41 LYS H 2.380 . 2.960 2.238 1.986 2.770 . 0 0 "[ . 1 . 2]" 1
514 2 40 VAL MG1 2 42 LEU H 3.400 . 5.000 3.689 3.117 4.029 . 0 0 "[ . 1 . 2]" 1
515 2 40 VAL MG1 2 64 VAL MG1 2.860 . 3.920 1.871 1.733 2.038 0.067 20 0 "[ . 1 . 2]" 1
516 2 40 VAL MG1 2 126 LEU MD1 2.550 . 3.300 1.818 1.706 2.033 0.094 16 0 "[ . 1 . 2]" 1
517 2 40 VAL MG1 2 128 LEU MD2 2.980 . 4.160 3.133 2.842 3.365 . 0 0 "[ . 1 . 2]" 1
518 2 40 VAL MG2 2 41 LYS H 3.380 . 4.960 3.950 3.750 4.136 . 0 0 "[ . 1 . 2]" 1
519 2 40 VAL MG2 2 126 LEU MD1 2.560 . 3.320 1.978 1.737 2.119 0.063 20 0 "[ . 1 . 2]" 1
520 2 41 LYS H 2 42 LEU H 2.980 . 4.160 4.087 3.934 4.328 0.168 20 0 "[ . 1 . 2]" 1
521 2 41 LYS H 2 64 VAL MG1 3.230 . 4.660 3.398 3.097 4.012 . 0 0 "[ . 1 . 2]" 1
522 2 41 LYS H 2 65 THR H 2.810 . 3.820 3.153 2.869 3.452 . 0 0 "[ . 1 . 2]" 1
523 2 42 LEU H 2 43 ASP H 3.310 . 4.820 4.505 4.399 4.589 . 0 0 "[ . 1 . 2]" 1
524 2 42 LEU MD1 2 43 ASP H 2.560 . 3.320 2.119 1.817 2.396 . 0 0 "[ . 1 . 2]" 1
525 2 42 LEU MD1 2 62 VAL MG1 2.370 . 2.940 1.888 1.782 1.996 0.018 8 0 "[ . 1 . 2]" 1
526 2 42 LEU MD1 2 63 THR H 3.240 . 4.680 3.545 3.230 3.792 . 0 0 "[ . 1 . 2]" 1
527 2 42 LEU MD1 2 64 VAL MG2 2.520 . 3.240 1.889 1.780 2.072 0.020 16 0 "[ . 1 . 2]" 1
528 2 42 LEU MD1 2 128 LEU MD1 2.540 . 3.280 2.016 1.784 2.129 0.016 7 0 "[ . 1 . 2]" 1
529 2 42 LEU MD1 2 128 LEU MD2 2.690 . 3.580 1.878 1.652 2.334 0.148 20 0 "[ . 1 . 2]" 1
530 2 42 LEU MD2 2 43 ASP H 3.390 . 4.980 4.370 4.087 4.609 . 0 0 "[ . 1 . 2]" 1
531 2 42 LEU MD2 2 62 VAL MG1 3.270 . 4.740 3.160 2.777 3.443 . 0 0 "[ . 1 . 2]" 1
532 2 42 LEU MD2 2 128 LEU MD1 3.220 . 4.640 2.713 2.319 2.925 . 0 0 "[ . 1 . 2]" 1
533 2 42 LEU MD2 2 128 LEU MD2 3.360 . 4.920 2.528 2.056 2.975 . 0 0 "[ . 1 . 2]" 1
534 2 42 LEU MD2 2 129 ALA H 2.910 . 4.020 2.910 1.996 3.670 . 0 0 "[ . 1 . 2]" 1
535 2 42 LEU MD2 2 131 VAL H 3.390 . 4.980 4.478 3.738 5.419 0.439 4 0 "[ . 1 . 2]" 1
536 2 42 LEU MD2 2 131 VAL QG 3.120 . 4.440 2.628 1.844 3.760 . 0 0 "[ . 1 . 2]" 1
537 2 43 ASP H 2 44 LEU H 3.240 . 4.680 4.236 4.018 4.431 . 0 0 "[ . 1 . 2]" 1
538 2 43 ASP H 2 62 VAL MG1 3.170 . 4.540 3.750 3.291 4.072 . 0 0 "[ . 1 . 2]" 1
539 2 43 ASP H 2 63 THR H 2.480 . 3.160 3.367 2.978 3.615 0.455 11 0 "[ . 1 . 2]" 1
540 2 44 LEU H 2 45 ASP H 3.260 . 4.720 4.390 4.185 4.521 . 0 0 "[ . 1 . 2]" 1
541 2 44 LEU QD 2 45 ASP H 3.340 . 4.880 3.845 3.461 4.406 . 0 0 "[ . 1 . 2]" 1
542 2 44 LEU QD 2 131 VAL QG . . 2.900 2.028 1.704 3.104 0.204 4 0 "[ . 1 . 2]" 1
543 2 44 LEU QD 2 133 PHE H 3.470 . 4.520 5.140 3.163 5.946 1.426 14 13 "[ **** *-** +** * *]" 1
544 2 44 LEU QD 2 133 PHE QD 3.110 . 4.410 3.001 1.902 3.740 . 0 0 "[ . 1 . 2]" 1
545 2 44 LEU QD 2 136 LEU QD 2.470 . 3.150 3.406 2.526 4.525 1.375 8 6 "[ * *. + ** -. 2]" 1
546 2 45 ASP H 2 46 THR H 3.180 . 4.560 4.349 4.213 4.442 . 0 0 "[ . 1 . 2]" 1
547 2 45 ASP H 2 60 LEU MD1 2.930 . 4.060 3.197 2.593 3.750 . 0 0 "[ . 1 . 2]" 1
548 2 45 ASP H 2 61 ARG H 2.840 . 3.880 3.592 3.073 3.949 0.069 12 0 "[ . 1 . 2]" 1
549 2 46 THR H 2 47 ALA H 3.130 . 4.460 4.133 3.912 4.462 0.002 2 0 "[ . 1 . 2]" 1
550 2 47 ALA H 2 48 SER H 3.000 . 4.200 4.289 4.031 4.478 0.278 16 0 "[ . 1 . 2]" 1
551 2 47 ALA H 2 58 VAL QG 3.200 . 4.600 4.280 3.689 4.924 0.324 9 0 "[ . 1 . 2]" 1
552 2 47 ALA H 2 59 VAL H 2.780 . 3.760 3.879 3.402 4.411 0.651 9 2 "[ - +1 . 2]" 1
553 2 47 ALA H 2 61 ARG H 3.500 . 5.200 4.025 3.682 4.908 . 0 0 "[ . 1 . 2]" 1
554 2 47 ALA MB 2 48 SER H 2.950 . 4.100 3.060 2.655 3.322 . 0 0 "[ . 1 . 2]" 1
555 2 48 SER H 2 49 SER H 3.200 . 4.600 4.433 4.358 4.497 . 0 0 "[ . 1 . 2]" 1
556 2 48 SER H 2 59 VAL H 3.410 . 5.020 4.827 4.639 5.139 0.119 9 0 "[ . 1 . 2]" 1
557 2 49 SER H 2 50 GLN H 3.090 . 4.380 4.224 4.115 4.321 . 0 0 "[ . 1 . 2]" 1
558 2 49 SER H 2 56 TYR QD 3.240 . 4.680 4.104 2.825 5.992 1.312 12 1 "[ . 1 + . 2]" 1
559 2 49 SER H 2 57 GLU H 2.730 . 3.660 3.581 2.944 4.046 0.386 9 0 "[ . 1 . 2]" 1
560 2 49 SER H 2 58 VAL H 3.510 . 5.220 5.204 4.963 5.533 0.313 13 0 "[ . 1 . 2]" 1
561 2 50 GLN H 2 51 LEU H 3.280 . 4.760 4.312 3.894 4.486 . 0 0 "[ . 1 . 2]" 1
562 2 51 LEU H 2 52 ALA H 2.010 . 2.220 2.179 1.816 2.511 0.291 5 0 "[ . 1 . 2]" 1
563 2 51 LEU H 2 52 ALA MB 3.240 . 4.680 3.744 3.276 4.441 . 0 0 "[ . 1 . 2]" 1
564 2 51 LEU H 2 57 GLU H 2.830 . 3.860 3.775 3.215 4.511 0.651 15 1 "[ . 1 + 2]" 1
565 2 51 LEU MD1 2 52 ALA MB 3.220 . 4.640 2.799 2.206 4.797 0.157 1 0 "[ . 1 . 2]" 1
566 2 51 LEU MD2 2 57 GLU H 3.360 . 4.920 4.220 3.844 4.662 . 0 0 "[ . 1 . 2]" 1
567 2 52 ALA H 2 53 ASP H 2.990 . 4.180 4.302 4.212 4.394 0.214 9 0 "[ . 1 . 2]" 1
568 2 52 ALA H 2 55 VAL H 3.280 . 4.760 4.592 3.921 4.839 0.079 11 0 "[ . 1 . 2]" 1
569 2 52 ALA MB 2 53 ASP H 2.870 . 3.940 2.590 2.228 2.935 . 0 0 "[ . 1 . 2]" 1
570 2 52 ALA MB 2 55 VAL H 3.250 . 4.700 3.175 2.841 3.636 . 0 0 "[ . 1 . 2]" 1
571 2 52 ALA MB 2 55 VAL QG 2.850 . 3.900 2.451 1.833 2.668 . 0 0 "[ . 1 . 2]" 1
572 2 53 ASP H 2 54 ASP H 3.290 . 4.780 4.483 4.287 4.596 . 0 0 "[ . 1 . 2]" 1
573 2 53 ASP H 2 55 VAL H 3.260 . 4.720 4.202 3.761 4.398 . 0 0 "[ . 1 . 2]" 1
574 2 54 ASP H 2 55 VAL H 2.310 . 2.820 2.736 2.610 2.854 0.034 9 0 "[ . 1 . 2]" 1
575 2 55 VAL H 2 56 TYR H 2.950 . 4.100 4.107 3.806 4.258 0.158 3 0 "[ . 1 . 2]" 1
576 2 55 VAL QG 2 56 TYR H 2.950 . 4.100 2.931 2.573 3.591 . 0 0 "[ . 1 . 2]" 1
577 2 55 VAL QG 2 84 PHE H 2.470 . 3.140 3.267 2.353 4.849 1.709 10 3 "[ . *+ - 2]" 1
578 2 55 VAL QG 2 86 ILE H 3.070 . 4.340 3.484 2.981 4.252 . 0 0 "[ . 1 . 2]" 1
579 2 56 TYR H 2 57 GLU H 3.280 . 4.760 4.445 4.331 4.520 . 0 0 "[ . 1 . 2]" 1
580 2 56 TYR H 2 84 PHE H 3.160 . 4.520 3.572 2.870 4.084 . 0 0 "[ . 1 . 2]" 1
581 2 56 TYR H 2 86 ILE H 3.200 . 4.600 4.091 3.171 4.977 0.377 5 0 "[ . 1 . 2]" 1
582 2 56 TYR H 2 98 LEU QD 2.960 . 4.120 4.451 3.279 5.703 1.583 6 9 "[ .+ *** *** *-2]" 1
583 2 56 TYR QD 2 57 GLU H 2.680 . 3.560 3.228 2.581 3.866 0.306 12 0 "[ . 1 . 2]" 1
584 2 56 TYR QD 2 98 LEU QD 2.760 . 3.720 2.643 2.145 3.262 . 0 0 "[ . 1 . 2]" 1
585 2 56 TYR QE 2 57 GLU H 3.380 . 4.960 4.527 3.905 6.062 1.102 12 1 "[ . 1 + . 2]" 1
586 2 56 TYR QE 2 98 LEU QD 3.340 . 4.880 2.969 2.202 3.781 . 0 0 "[ . 1 . 2]" 1
587 2 57 GLU H 2 58 VAL H 3.050 . 4.300 4.125 3.902 4.306 0.006 1 0 "[ . 1 . 2]" 1
588 2 58 VAL H 2 59 VAL H 3.320 . 4.830 4.449 4.312 4.539 . 0 0 "[ . 1 . 2]" 1
589 2 58 VAL H 2 82 GLY H 3.050 . 4.300 3.249 2.992 3.484 . 0 0 "[ . 1 . 2]" 1
590 2 58 VAL QG 2 59 VAL H . . 2.720 2.552 2.227 2.822 0.102 12 0 "[ . 1 . 2]" 1
591 2 58 VAL QG 2 60 LEU H 3.500 . 5.200 3.769 3.175 4.364 . 0 0 "[ . 1 . 2]" 1
592 2 58 VAL QG 2 82 GLY H 3.160 . 4.520 3.959 3.330 4.580 0.060 19 0 "[ . 1 . 2]" 1
593 2 58 VAL QG 2 84 PHE QE 3.190 . 4.580 2.769 2.039 3.752 . 0 0 "[ . 1 . 2]" 1
594 2 59 VAL H 2 60 LEU H 2.990 . 4.180 4.249 4.112 4.456 0.276 14 0 "[ . 1 . 2]" 1
595 2 59 VAL MG1 2 60 LEU H 2.910 . 4.020 2.915 2.320 3.214 . 0 0 "[ . 1 . 2]" 1
596 2 59 VAL MG1 2 80 GLN H 3.280 . 4.760 3.558 3.201 3.827 . 0 0 "[ . 1 . 2]" 1
597 2 59 VAL MG1 2 81 GLY H 3.270 . 4.740 3.504 3.129 3.851 . 0 0 "[ . 1 . 2]" 1
598 2 59 VAL MG2 2 82 GLY H 3.450 . 5.100 3.654 3.278 4.031 . 0 0 "[ . 1 . 2]" 1
599 2 60 LEU H 2 61 ARG H 3.250 . 4.700 4.174 3.966 4.303 . 0 0 "[ . 1 . 2]" 1
600 2 60 LEU H 2 80 GLN H 2.990 . 4.180 3.610 3.249 3.896 . 0 0 "[ . 1 . 2]" 1
601 2 60 LEU MD1 2 61 ARG H 2.950 . 4.100 2.927 2.481 3.225 . 0 0 "[ . 1 . 2]" 1
602 2 60 LEU MD1 2 133 PHE QD 3.210 . 4.620 3.761 2.711 4.524 . 0 0 "[ . 1 . 2]" 1
603 2 60 LEU MD1 2 133 PHE QE 2.680 . 3.570 2.729 1.688 4.420 0.850 7 1 "[ . + 1 . 2]" 1
604 2 60 LEU MD2 2 62 VAL MG2 2.660 . 3.520 3.029 2.319 4.276 0.756 17 6 "[ * * 1 . +**-]" 1
605 2 60 LEU MD2 2 133 PHE QE 3.370 . 4.940 3.038 2.206 5.311 0.371 1 0 "[ . 1 . 2]" 1
606 2 61 ARG H 2 62 VAL H 3.150 . 4.500 4.354 4.230 4.524 0.024 20 0 "[ . 1 . 2]" 1
607 2 62 VAL H 2 63 THR H 3.170 . 4.540 4.214 3.991 4.407 . 0 0 "[ . 1 . 2]" 1
608 2 62 VAL H 2 78 VAL H 2.470 . 3.140 3.302 3.055 3.527 0.387 14 0 "[ . 1 . 2]" 1
609 2 62 VAL H 2 80 GLN H 3.260 . 4.720 4.174 3.972 4.473 . 0 0 "[ . 1 . 2]" 1
610 2 62 VAL H 2 110 ALA MB 3.340 . 4.880 3.669 3.413 4.104 . 0 0 "[ . 1 . 2]" 1
611 2 62 VAL MG1 2 63 THR H 2.830 . 3.860 2.937 2.554 3.314 . 0 0 "[ . 1 . 2]" 1
612 2 62 VAL MG1 2 64 VAL MG2 2.970 . 4.140 2.725 2.443 3.051 . 0 0 "[ . 1 . 2]" 1
613 2 62 VAL MG1 2 128 LEU MD1 2.560 . 3.320 2.032 1.863 2.301 . 0 0 "[ . 1 . 2]" 1
614 2 62 VAL MG2 2 110 ALA MB 3.060 . 4.320 2.123 1.965 2.258 . 0 0 "[ . 1 . 2]" 1
615 2 63 THR H 2 64 VAL H 3.250 . 4.700 4.389 4.155 4.491 . 0 0 "[ . 1 . 2]" 1
616 2 64 VAL H 2 65 THR H 2.920 . 4.040 4.138 3.991 4.327 0.287 17 0 "[ . 1 . 2]" 1
617 2 64 VAL H 2 76 CYS H 2.430 . 3.060 3.488 3.213 3.752 0.692 13 7 "[ * *** -1 *+ . 2]" 1
618 2 64 VAL H 2 77 GLU H 3.360 . 4.920 4.791 4.551 5.025 0.105 5 0 "[ . 1 . 2]" 1
619 2 64 VAL MG1 2 65 THR H 3.100 . 4.400 2.978 2.597 3.276 . 0 0 "[ . 1 . 2]" 1
620 2 64 VAL MG1 2 74 PHE QE 3.350 . 4.900 2.185 1.815 2.643 . 0 0 "[ . 1 . 2]" 1
621 2 64 VAL MG1 2 126 LEU MD1 2.910 . 4.020 2.596 2.009 3.077 . 0 0 "[ . 1 . 2]" 1
622 2 64 VAL MG1 2 126 LEU MD2 2.460 . 3.120 1.793 1.581 1.986 0.219 3 0 "[ . 1 . 2]" 1
623 2 64 VAL MG1 2 128 LEU MD2 3.050 . 4.300 2.899 2.436 3.210 . 0 0 "[ . 1 . 2]" 1
624 2 64 VAL MG2 2 126 LEU MD2 3.260 . 4.720 2.355 2.006 2.742 . 0 0 "[ . 1 . 2]" 1
625 2 64 VAL MG2 2 128 LEU MD1 2.680 . 3.560 2.195 1.970 2.367 . 0 0 "[ . 1 . 2]" 1
626 2 64 VAL MG2 2 128 LEU MD2 2.660 . 3.520 1.835 1.706 2.083 0.094 1 0 "[ . 1 . 2]" 1
627 2 65 THR H 2 66 ALA H 3.290 . 4.780 4.476 4.146 4.580 . 0 0 "[ . 1 . 2]" 1
628 2 65 THR H 2 76 CYS H 3.340 . 4.880 5.143 5.016 5.342 0.462 1 0 "[ . 1 . 2]" 1
629 2 66 ALA H 2 67 SER H 3.190 . 4.580 4.319 4.251 4.507 . 0 0 "[ . 1 . 2]" 1
630 2 66 ALA H 2 73 ALA H 3.070 . 4.340 4.486 4.294 4.699 0.359 6 0 "[ . 1 . 2]" 1
631 2 66 ALA H 2 73 ALA MB 3.410 . 5.020 4.408 4.250 4.771 . 0 0 "[ . 1 . 2]" 1
632 2 66 ALA H 2 74 PHE H 2.500 . 3.200 3.560 3.437 3.834 0.634 20 3 "[ . 1* .- +]" 1
633 2 66 ALA H 2 75 LEU MD2 2.820 . 3.840 2.722 2.126 3.340 . 0 0 "[ . 1 . 2]" 1
634 2 66 ALA MB 2 67 SER H 2.710 . 3.620 2.896 2.731 3.002 . 0 0 "[ . 1 . 2]" 1
635 2 66 ALA MB 2 73 ALA H 3.340 . 4.880 4.044 3.800 4.268 . 0 0 "[ . 1 . 2]" 1
636 2 66 ALA MB 2 73 ALA MB 2.660 . 3.520 2.573 2.380 2.995 . 0 0 "[ . 1 . 2]" 1
637 2 66 ALA MB 2 74 PHE H 2.880 . 3.960 2.964 2.568 3.346 . 0 0 "[ . 1 . 2]" 1
638 2 66 ALA MB 2 74 PHE QD 3.190 . 4.580 3.147 2.954 3.321 . 0 0 "[ . 1 . 2]" 1
639 2 66 ALA MB 2 74 PHE QE 2.850 . 3.900 2.771 2.668 2.852 . 0 0 "[ . 1 . 2]" 1
640 2 67 SER H 2 68 LEU H 3.130 . 4.460 4.231 4.167 4.290 . 0 0 "[ . 1 . 2]" 1
641 2 67 SER H 2 73 ALA H 3.070 . 4.340 4.125 4.023 4.254 . 0 0 "[ . 1 . 2]" 1
642 2 67 SER H 2 73 ALA MB 3.070 . 4.340 3.607 3.398 3.916 . 0 0 "[ . 1 . 2]" 1
643 2 68 LEU H 2 69 GLY H 3.090 . 4.380 4.227 4.091 4.443 0.063 7 0 "[ . 1 . 2]" 1
644 2 68 LEU H 2 71 GLU H 2.840 . 3.880 4.212 3.969 4.473 0.593 17 1 "[ . 1 . + 2]" 1
645 2 68 LEU H 2 73 ALA H 2.520 . 3.240 3.011 2.698 3.237 . 0 0 "[ . 1 . 2]" 1
646 2 68 LEU H 2 73 ALA MB 2.800 . 3.800 2.408 2.195 2.557 . 0 0 "[ . 1 . 2]" 1
647 2 68 LEU MD1 2 73 ALA MB 2.980 . 4.160 2.389 1.831 2.710 . 0 0 "[ . 1 . 2]" 1
648 2 68 LEU MD2 2 69 GLY H 3.250 . 4.700 3.739 3.252 3.963 . 0 0 "[ . 1 . 2]" 1
649 2 69 GLY H 2 70 GLU H 3.210 . 4.620 4.492 4.386 4.602 . 0 0 "[ . 1 . 2]" 1
650 2 69 GLY H 2 71 GLU H 3.290 . 4.780 4.654 4.464 4.802 0.022 4 0 "[ . 1 . 2]" 1
651 2 70 GLU H 2 71 GLU H 2.300 . 2.800 2.421 2.070 2.756 . 0 0 "[ . 1 . 2]" 1
652 2 71 GLU H 2 72 THR H 3.180 . 4.560 4.472 4.394 4.546 . 0 0 "[ . 1 . 2]" 1
653 2 72 THR H 2 73 ALA H 3.290 . 4.780 4.525 4.425 4.594 . 0 0 "[ . 1 . 2]" 1
654 2 73 ALA H 2 74 PHE H 2.320 . 2.840 2.501 2.360 2.626 . 0 0 "[ . 1 . 2]" 1
655 2 73 ALA MB 2 74 PHE H 2.460 . 3.120 2.106 2.003 2.455 . 0 0 "[ . 1 . 2]" 1
656 2 73 ALA MB 2 74 PHE QD 3.280 . 4.760 2.580 2.473 2.901 . 0 0 "[ . 1 . 2]" 1
657 2 74 PHE H 2 75 LEU H 3.070 . 4.340 4.307 4.253 4.342 0.002 17 0 "[ . 1 . 2]" 1
658 2 74 PHE H 2 75 LEU MD2 3.150 . 4.500 4.271 3.884 4.534 0.034 4 0 "[ . 1 . 2]" 1
659 2 74 PHE QD 2 75 LEU H 3.250 . 4.700 3.443 3.173 3.723 . 0 0 "[ . 1 . 2]" 1
660 2 74 PHE QD 2 123 PHE QD 3.200 . 4.600 3.032 2.933 3.161 . 0 0 "[ . 1 . 2]" 1
661 2 74 PHE QD 2 123 PHE QE 3.180 . 4.560 3.439 3.185 3.693 . 0 0 "[ . 1 . 2]" 1
662 2 74 PHE QE 2 118 VAL MG1 3.180 . 4.560 2.925 2.706 3.155 . 0 0 "[ . 1 . 2]" 1
663 2 74 PHE QE 2 118 VAL MG2 3.020 . 4.240 2.567 2.421 2.677 . 0 0 "[ . 1 . 2]" 1
664 2 74 PHE QE 2 123 PHE QD 3.500 . 5.200 3.676 3.478 3.982 . 0 0 "[ . 1 . 2]" 1
665 2 74 PHE QE 2 126 LEU MD2 3.070 . 4.340 2.210 1.754 2.627 0.046 19 0 "[ . 1 . 2]" 1
666 2 75 LEU H 2 76 CYS H 3.220 . 4.640 4.082 3.974 4.328 . 0 0 "[ . 1 . 2]" 1
667 2 76 CYS H 2 77 GLU H 3.240 . 4.680 4.365 4.193 4.481 . 0 0 "[ . 1 . 2]" 1
668 2 77 GLU H 2 78 VAL H 3.020 . 4.240 4.127 3.965 4.279 0.039 19 0 "[ . 1 . 2]" 1
669 2 77 GLU H 2 78 VAL MG2 2.960 . 4.120 3.583 3.361 3.888 . 0 0 "[ . 1 . 2]" 1
670 2 78 VAL H 2 79 GLN H 3.200 . 4.600 4.377 4.291 4.469 . 0 0 "[ . 1 . 2]" 1
671 2 78 VAL MG1 2 79 GLN H 2.390 . 2.980 2.304 2.191 2.458 . 0 0 "[ . 1 . 2]" 1
672 2 78 VAL MG1 2 80 GLN H 3.190 . 4.580 3.175 2.764 3.835 . 0 0 "[ . 1 . 2]" 1
673 2 78 VAL MG1 2 110 ALA MB 3.270 . 4.740 2.710 2.443 3.020 . 0 0 "[ . 1 . 2]" 1
674 2 78 VAL MG2 2 79 GLN H 3.390 . 4.980 3.960 3.766 4.044 . 0 0 "[ . 1 . 2]" 1
675 2 78 VAL MG2 2 114 ILE H 3.400 . 5.000 2.783 2.516 3.023 . 0 0 "[ . 1 . 2]" 1
676 2 79 GLN H 2 80 GLN H 2.920 . 4.040 3.993 3.724 4.314 0.274 19 0 "[ . 1 . 2]" 1
677 2 80 GLN H 2 81 GLY H 3.150 . 4.500 4.196 4.112 4.296 . 0 0 "[ . 1 . 2]" 1
678 2 80 GLN H 2 110 ALA MB 2.930 . 4.060 3.273 3.081 3.480 . 0 0 "[ . 1 . 2]" 1
679 2 81 GLY H 2 82 GLY H 3.270 . 4.740 4.551 4.499 4.595 . 0 0 "[ . 1 . 2]" 1
680 2 82 GLY H 2 83 ILE H 3.220 . 4.640 4.129 3.968 4.244 . 0 0 "[ . 1 . 2]" 1
681 2 82 GLY H 2 84 PHE QE 3.220 . 4.640 3.887 3.603 4.243 . 0 0 "[ . 1 . 2]" 1
682 2 83 ILE H 2 84 PHE H 3.290 . 4.780 4.389 4.269 4.501 . 0 0 "[ . 1 . 2]" 1
683 2 83 ILE H 2 84 PHE QE 3.430 . 5.060 4.876 4.496 5.094 0.034 19 0 "[ . 1 . 2]" 1
684 2 84 PHE H 2 85 SER H 3.180 . 4.560 4.398 4.331 4.477 . 0 0 "[ . 1 . 2]" 1
685 2 84 PHE QD 2 85 SER H 3.340 . 4.880 4.187 4.004 4.423 . 0 0 "[ . 1 . 2]" 1
686 2 85 SER H 2 86 ILE H 3.200 . 4.600 4.380 4.199 4.526 . 0 0 "[ . 1 . 2]" 1
687 2 86 ILE H 2 87 ALA H 3.170 . 4.540 4.217 4.033 4.485 . 0 0 "[ . 1 . 2]" 1
688 2 87 ALA H 2 88 GLY H 3.200 . 4.600 4.411 4.359 4.507 . 0 0 "[ . 1 . 2]" 1
689 2 87 ALA H 2 89 ILE H 2.920 . 4.040 4.212 3.960 4.612 0.572 18 1 "[ . 1 . + 2]" 1
690 2 87 ALA MB 2 88 GLY H 2.570 . 3.340 2.357 2.179 2.665 . 0 0 "[ . 1 . 2]" 1
691 2 88 GLY H 2 89 ILE H 2.640 . 3.480 3.273 2.854 3.705 0.225 18 0 "[ . 1 . 2]" 1
692 2 89 ILE H 2 90 GLU H 3.340 . 4.880 4.640 4.585 4.745 . 0 0 "[ . 1 . 2]" 1
693 2 90 GLU H 2 91 GLY H 3.180 . 4.560 4.358 4.251 4.420 . 0 0 "[ . 1 . 2]" 1
694 2 90 GLU H 2 94 MET H 3.040 . 4.280 3.910 3.474 4.252 . 0 0 "[ . 1 . 2]" 1
695 2 91 GLY H 2 92 THR H 3.280 . 4.760 4.510 4.230 4.611 . 0 0 "[ . 1 . 2]" 1
696 2 91 GLY H 2 94 MET H 3.330 . 4.860 4.504 3.987 4.949 0.089 11 0 "[ . 1 . 2]" 1
697 2 92 THR H 2 93 GLN H 2.130 . 2.460 2.341 2.037 2.584 0.124 3 0 "[ . 1 . 2]" 1
698 2 92 THR H 2 94 MET H 2.790 . 3.780 4.009 3.549 4.244 0.464 2 0 "[ . 1 . 2]" 1
699 2 93 GLN H 2 94 MET H 2.300 . 2.800 2.623 2.528 2.746 . 0 0 "[ . 1 . 2]" 1
700 2 93 GLN H 2 96 HIS H 3.460 . 5.120 4.998 4.795 5.446 0.326 16 0 "[ . 1 . 2]" 1
701 2 94 MET H 2 95 ALA H 2.520 . 3.240 2.860 2.470 3.157 . 0 0 "[ . 1 . 2]" 1
702 2 94 MET H 2 96 HIS H 2.910 . 4.020 3.811 3.515 4.073 0.053 16 0 "[ . 1 . 2]" 1
703 2 94 MET H 2 97 CYS H 3.290 . 4.780 5.035 4.664 5.388 0.608 6 5 "[ .+ 1* - .* * 2]" 1
704 2 94 MET ME 2 95 ALA H 2.800 . 3.800 3.780 2.670 5.016 1.216 2 2 "[ + . - . 2]" 1
705 2 94 MET ME 2 95 ALA MB 2.830 . 3.860 3.027 2.175 4.517 0.657 10 1 "[ . + . 2]" 1
706 2 95 ALA H 2 96 HIS H 2.200 . 2.600 2.462 2.375 2.521 . 0 0 "[ . 1 . 2]" 1
707 2 95 ALA H 2 97 CYS H 3.070 . 4.340 4.190 4.089 4.279 . 0 0 "[ . 1 . 2]" 1
708 2 95 ALA MB 2 96 HIS H 2.730 . 3.660 3.133 3.048 3.222 . 0 0 "[ . 1 . 2]" 1
709 2 96 HIS H 2 97 CYS H 2.290 . 2.780 2.668 2.584 2.756 . 0 0 "[ . 1 . 2]" 1
710 2 96 HIS H 2 98 LEU H 3.330 . 4.860 4.458 4.148 4.852 . 0 0 "[ . 1 . 2]" 1
711 2 96 HIS H 2 99 GLY H 3.450 . 5.100 4.827 4.596 5.314 0.214 12 0 "[ . 1 . 2]" 1
712 2 97 CYS H 2 98 LEU H 2.440 . 3.080 2.760 2.630 2.983 . 0 0 "[ . 1 . 2]" 1
713 2 97 CYS H 2 99 GLY H 2.860 . 3.920 3.947 3.643 4.315 0.395 5 0 "[ . 1 . 2]" 1
714 2 98 LEU H 2 99 GLY H 2.230 . 2.660 2.485 2.166 2.646 . 0 0 "[ . 1 . 2]" 1
715 2 98 LEU H 2 100 ALA H 3.140 . 4.480 4.133 3.703 4.401 . 0 0 "[ . 1 . 2]" 1
716 2 98 LEU H 2 101 TYR H 3.460 . 5.120 4.828 4.355 5.033 . 0 0 "[ . 1 . 2]" 1
717 2 98 LEU H 2 102 CYS H 3.380 . 4.960 4.921 4.707 5.065 0.105 5 0 "[ . 1 . 2]" 1
718 2 98 LEU QD 2 99 GLY H 3.000 . 4.200 2.882 2.209 4.190 . 0 0 "[ . 1 . 2]" 1
719 2 99 GLY H 2 100 ALA H 2.100 . 2.400 2.454 2.292 2.580 0.180 13 0 "[ . 1 . 2]" 1
720 2 99 GLY H 2 100 ALA MB 3.460 . 5.120 4.087 3.858 4.291 . 0 0 "[ . 1 . 2]" 1
721 2 99 GLY H 2 101 TYR H 2.850 . 3.900 4.113 3.835 4.400 0.500 5 1 "[ + 1 . 2]" 1
722 2 99 GLY H 2 102 CYS H 3.120 . 4.440 4.668 4.269 4.972 0.532 5 2 "[ - + 1 . 2]" 1
723 2 100 ALA H 2 101 TYR H 1.980 . 2.160 2.159 1.975 2.342 0.182 5 0 "[ . 1 . 2]" 1
724 2 100 ALA H 2 102 CYS H 2.470 . 3.140 3.267 2.939 3.589 0.449 3 0 "[ . 1 . 2]" 1
725 2 100 ALA MB 2 101 TYR H 2.560 . 3.320 2.374 2.172 2.553 . 0 0 "[ . 1 . 2]" 1
726 2 100 ALA MB 2 134 ASP H 3.350 . 4.900 3.206 2.715 4.235 . 0 0 "[ . 1 . 2]" 1
727 2 101 TYR H 2 102 CYS H 2.300 . 2.800 2.626 2.504 2.740 . 0 0 "[ . 1 . 2]" 1
728 2 101 TYR QD 2 102 CYS H 3.150 . 4.500 3.612 2.793 3.792 . 0 0 "[ . 1 . 2]" 1
729 2 109 TYR H 2 110 ALA H 2.380 . 2.960 2.591 2.409 2.686 . 0 0 "[ . 1 . 2]" 1
730 2 109 TYR H 2 111 ARG H 3.030 . 4.260 3.866 3.691 4.052 . 0 0 "[ . 1 . 2]" 1
731 2 109 TYR QD 2 110 ALA H 3.380 . 4.960 4.080 3.828 4.386 . 0 0 "[ . 1 . 2]" 1
732 2 110 ALA H 2 111 ARG H 2.130 . 2.460 2.570 2.472 2.662 0.202 6 0 "[ . 1 . 2]" 1
733 2 110 ALA H 2 112 GLU H 3.140 . 4.480 4.393 4.219 4.794 0.314 16 0 "[ . 1 . 2]" 1
734 2 110 ALA MB 2 111 ARG H 2.700 . 3.600 2.598 2.483 2.746 . 0 0 "[ . 1 . 2]" 1
735 2 111 ARG H 2 112 GLU H 2.400 . 3.000 2.744 2.645 2.873 . 0 0 "[ . 1 . 2]" 1
736 2 111 ARG H 2 113 CYS H 3.130 . 4.460 3.892 3.704 4.107 . 0 0 "[ . 1 . 2]" 1
737 2 111 ARG H 2 114 ILE H 3.520 . 5.240 4.706 4.635 4.828 . 0 0 "[ . 1 . 2]" 1
738 2 112 GLU H 2 113 CYS H 2.370 . 2.940 2.579 2.503 2.700 . 0 0 "[ . 1 . 2]" 1
739 2 112 GLU H 2 114 ILE H 3.240 . 4.680 4.208 4.072 4.380 . 0 0 "[ . 1 . 2]" 1
740 2 113 CYS H 2 114 ILE H 2.340 . 2.880 2.612 2.502 2.722 . 0 0 "[ . 1 . 2]" 1
741 2 113 CYS H 2 115 THR H 3.290 . 4.780 4.179 4.028 4.263 . 0 0 "[ . 1 . 2]" 1
742 2 113 CYS H 2 116 SER H 3.380 . 4.960 4.632 4.550 4.802 . 0 0 "[ . 1 . 2]" 1
743 2 114 ILE H 2 115 THR H 2.470 . 3.140 2.753 2.600 2.849 . 0 0 "[ . 1 . 2]" 1
744 2 114 ILE H 2 116 SER H 3.030 . 4.260 3.981 3.770 4.172 . 0 0 "[ . 1 . 2]" 1
745 2 114 ILE H 2 117 MET H 3.430 . 5.060 4.866 4.769 4.952 . 0 0 "[ . 1 . 2]" 1
746 2 115 THR H 2 116 SER H 2.330 . 2.860 2.689 2.645 2.742 . 0 0 "[ . 1 . 2]" 1
747 2 115 THR H 2 117 MET H 3.310 . 4.820 4.368 4.297 4.465 . 0 0 "[ . 1 . 2]" 1
748 2 115 THR H 2 118 VAL H 3.460 . 5.120 4.820 4.735 4.899 . 0 0 "[ . 1 . 2]" 1
749 2 115 THR H 2 118 VAL MG2 3.490 . 5.180 4.196 4.044 4.340 . 0 0 "[ . 1 . 2]" 1
750 2 116 SER H 2 117 MET H 2.360 . 2.920 2.723 2.620 2.782 . 0 0 "[ . 1 . 2]" 1
751 2 116 SER H 2 118 VAL H 2.960 . 4.120 4.068 3.963 4.171 0.051 11 0 "[ . 1 . 2]" 1
752 2 117 MET H 2 118 VAL H 2.330 . 2.860 2.583 2.478 2.653 . 0 0 "[ . 1 . 2]" 1
753 2 117 MET H 2 119 SER H 3.300 . 4.800 4.086 3.946 4.300 . 0 0 "[ . 1 . 2]" 1
754 2 118 VAL H 2 119 SER H 2.390 . 2.980 2.615 2.520 2.746 . 0 0 "[ . 1 . 2]" 1
755 2 118 VAL MG1 2 119 SER H 3.010 . 4.220 3.391 3.247 3.522 . 0 0 "[ . 1 . 2]" 1
756 2 118 VAL MG1 2 123 PHE H 3.070 . 4.340 3.320 3.163 3.593 . 0 0 "[ . 1 . 2]" 1
757 2 118 VAL MG1 2 123 PHE QD 3.160 . 4.520 3.497 3.255 3.739 . 0 0 "[ . 1 . 2]" 1
758 2 118 VAL MG2 2 119 SER H 3.260 . 4.720 3.837 3.771 3.950 . 0 0 "[ . 1 . 2]" 1
759 2 118 VAL MG2 2 126 LEU MD2 2.640 . 3.480 1.822 1.629 2.117 0.171 2 0 "[ . 1 . 2]" 1
760 2 119 SER H 2 121 GLY H 3.110 . 4.420 4.113 3.982 4.244 . 0 0 "[ . 1 . 2]" 1
761 2 119 SER H 2 123 PHE H 3.430 . 5.060 5.075 4.866 5.250 0.190 6 0 "[ . 1 . 2]" 1
762 2 121 GLY H 2 122 THR H 2.330 . 2.860 2.569 2.478 2.703 . 0 0 "[ . 1 . 2]" 1
763 2 121 GLY H 2 123 PHE H 2.710 . 3.620 4.008 3.724 4.223 0.603 7 3 "[ .-+ 1 * 2]" 1
764 2 122 THR H 2 123 PHE H 2.330 . 2.860 2.530 2.488 2.574 . 0 0 "[ . 1 . 2]" 1
765 2 125 GLN H 2 126 LEU H 3.340 . 4.880 4.467 4.404 4.582 . 0 0 "[ . 1 . 2]" 1
766 2 125 GLN H 3 125 GLN H 2.210 . 2.620 3.180 2.496 3.958 1.338 17 9 "[ *-*. ** 1 * . +**2]" 1
767 2 126 LEU H 2 127 ASN H 3.020 . 4.240 4.089 3.825 4.287 0.047 10 0 "[ . 1 . 2]" 1
768 2 126 LEU MD1 2 127 ASN H 2.920 . 4.040 3.269 3.101 3.572 . 0 0 "[ . 1 . 2]" 1
769 2 126 LEU MD1 2 128 LEU MD2 3.220 . 4.640 2.679 2.230 3.429 . 0 0 "[ . 1 . 2]" 1
770 2 126 LEU MD2 2 128 LEU MD2 3.290 . 4.780 2.481 1.897 2.911 . 0 0 "[ . 1 . 2]" 1
771 2 127 ASN H 2 128 LEU H 3.170 . 4.540 4.291 4.146 4.421 . 0 0 "[ . 1 . 2]" 1
772 2 128 LEU H 2 129 ALA H 3.300 . 4.800 4.593 4.524 4.643 . 0 0 "[ . 1 . 2]" 1
773 2 128 LEU MD2 2 129 ALA H 3.210 . 4.620 3.429 3.252 3.679 . 0 0 "[ . 1 . 2]" 1
774 2 131 VAL QG 2 133 PHE H 2.960 . 4.120 3.721 2.988 4.104 . 0 0 "[ . 1 . 2]" 1
775 2 133 PHE H 2 134 ASP H 2.320 . 2.840 2.631 2.450 2.822 . 0 0 "[ . 1 . 2]" 1
776 2 133 PHE H 2 135 ALA H 3.250 . 4.700 4.333 3.957 4.795 0.095 5 0 "[ . 1 . 2]" 1
777 2 133 PHE QD 2 134 ASP H 2.550 . 3.300 3.924 3.386 4.254 0.954 14 14 "[ *-** **** +** ***]" 1
778 2 133 PHE QE 2 134 ASP H 3.150 . 4.500 5.969 4.239 6.414 1.914 6 19 "[* ***+**********-***]" 1
779 2 134 ASP H 2 135 ALA H 2.380 . 2.960 2.775 2.622 2.978 0.018 5 0 "[ . 1 . 2]" 1
780 2 134 ASP H 2 136 LEU H 3.090 . 4.380 4.273 4.004 4.701 0.321 1 0 "[ . 1 . 2]" 1
781 2 135 ALA H 2 136 LEU H 2.180 . 2.560 2.709 2.546 2.933 0.373 1 0 "[ . 1 . 2]" 1
782 2 135 ALA H 2 137 PHE H 3.250 . 4.700 4.393 4.028 4.633 . 0 0 "[ . 1 . 2]" 1
783 2 135 ALA H 2 138 MET H 3.370 . 4.940 4.681 4.530 4.884 . 0 0 "[ . 1 . 2]" 1
784 2 135 ALA MB 2 136 LEU H 2.700 . 3.600 2.720 2.488 2.943 . 0 0 "[ . 1 . 2]" 1
785 2 136 LEU H 2 137 PHE H 2.440 . 3.080 2.662 2.492 2.866 . 0 0 "[ . 1 . 2]" 1
786 2 136 LEU H 2 138 MET H 3.060 . 4.320 3.832 3.553 4.264 . 0 0 "[ . 1 . 2]" 1
787 2 136 LEU H 2 139 ASN H 3.420 . 5.040 4.992 4.610 5.693 0.653 13 1 "[ . 1 + . 2]" 1
788 2 137 PHE H 2 138 MET H 2.240 . 2.680 2.534 2.376 2.653 . 0 0 "[ . 1 . 2]" 1
789 2 137 PHE H 2 139 ASN H 3.030 . 4.260 4.244 3.948 4.475 0.215 13 0 "[ . 1 . 2]" 1
790 2 137 PHE H 2 140 TYR H 3.430 . 5.060 5.005 4.567 5.637 0.577 13 1 "[ . 1 + . 2]" 1
791 2 137 PHE QD 2 138 MET H 3.370 . 4.940 4.501 4.249 4.764 . 0 0 "[ . 1 . 2]" 1
792 2 137 PHE QD 2 141 LEU QD 3.170 . 4.540 3.759 2.043 5.834 1.294 9 4 "[ . *+- . *2]" 1
793 2 138 MET H 2 139 ASN H 2.360 . 2.920 2.575 2.469 2.733 . 0 0 "[ . 1 . 2]" 1
794 2 138 MET H 2 140 TYR H 3.110 . 4.410 4.008 3.655 4.333 . 0 0 "[ . 1 . 2]" 1
795 2 138 MET H 2 141 LEU H 3.430 . 5.060 4.769 4.526 5.296 0.236 13 0 "[ . 1 . 2]" 1
796 2 139 ASN H 2 140 TYR H 2.200 . 2.600 2.433 2.071 2.552 . 0 0 "[ . 1 . 2]" 1
797 2 139 ASN H 2 141 LEU H 3.060 . 4.320 3.970 3.672 4.167 . 0 0 "[ . 1 . 2]" 1
798 2 140 TYR H 2 141 LEU H 2.260 . 2.720 2.482 2.251 2.741 0.021 8 0 "[ . 1 . 2]" 1
799 2 140 TYR QD 2 141 LEU H 2.960 . 4.120 4.097 3.432 4.758 0.638 9 2 "[ . -+1 . 2]" 1
800 2 140 TYR QD 2 141 LEU QD 3.070 . 4.340 3.277 1.818 5.911 1.571 8 2 "[ . +-1 . 2]" 1
801 2 140 TYR QE 2 141 LEU QD 3.460 . 5.120 4.486 2.862 7.468 2.348 8 3 "[ . +*1 -. 2]" 1
802 3 9 MET H 3 10 THR H 3.190 . 4.580 3.738 3.608 3.920 . 0 0 "[ . 1 . 2]" 1
803 3 9 MET H 3 89 ILE H 3.530 . 5.250 5.196 4.261 6.391 1.141 6 5 "[ *.+ * -.* 2]" 1
804 3 10 THR H 3 11 PHE H 2.770 . 3.740 3.985 3.739 4.343 0.603 5 1 "[ + 1 . 2]" 1
805 3 10 THR H 3 87 ALA H 2.330 . 2.860 3.004 2.563 3.672 0.812 4 2 "[ +.- 1 . 2]" 1
806 3 10 THR H 3 89 ILE H 3.110 . 4.410 4.496 3.990 5.188 0.778 14 2 "[ . 1- +. 2]" 1
807 3 11 PHE H 3 12 GLN H 3.290 . 4.780 4.393 4.171 4.531 . 0 0 "[ . 1 . 2]" 1
808 3 11 PHE QD 3 12 GLN H 2.540 . 3.280 3.638 3.319 3.969 0.689 8 4 "[ .* + 1 *.- 2]" 1
809 3 11 PHE QE 3 12 GLN H 3.150 . 4.500 4.612 4.166 5.032 0.532 8 1 "[ . + 1 . 2]" 1
810 3 11 PHE QE 3 84 PHE QD 3.330 . 4.860 3.313 2.874 3.466 . 0 0 "[ . 1 . 2]" 1
811 3 11 PHE QE 3 101 TYR QD 3.320 . 4.830 3.268 2.846 3.723 . 0 0 "[ . 1 . 2]" 1
812 3 11 PHE QE 3 101 TYR QE 3.500 . 5.200 2.990 2.593 3.600 . 0 0 "[ . 1 . 2]" 1
813 3 12 GLN H 3 13 ILE H 2.970 . 4.140 4.155 4.002 4.281 0.141 8 0 "[ . 1 . 2]" 1
814 3 12 GLN H 3 85 SER H 2.800 . 3.800 3.556 3.100 3.883 0.083 13 0 "[ . 1 . 2]" 1
815 3 13 ILE H 3 14 GLN H 3.310 . 4.820 4.498 4.422 4.582 . 0 0 "[ . 1 . 2]" 1
816 3 14 GLN H 3 15 ARG H 2.050 . 2.310 2.270 2.110 2.466 0.156 10 0 "[ . 1 . 2]" 1
817 3 14 GLN H 3 83 ILE H 3.380 . 4.960 4.592 4.437 4.783 . 0 0 "[ . 1 . 2]" 1
818 3 14 GLN H 3 84 PHE QD 3.430 . 5.060 3.580 3.169 3.882 . 0 0 "[ . 1 . 2]" 1
819 3 14 GLN H 3 85 SER H 3.260 . 4.720 3.857 3.433 4.232 . 0 0 "[ . 1 . 2]" 1
820 3 15 ARG H 3 16 ILE H 3.170 . 4.540 4.196 4.072 4.259 . 0 0 "[ . 1 . 2]" 1
821 3 15 ARG H 3 83 ILE H 2.830 . 3.860 3.343 3.178 3.522 . 0 0 "[ . 1 . 2]" 1
822 3 16 ILE H 3 17 TYR H 3.210 . 4.620 4.407 4.260 4.527 . 0 0 "[ . 1 . 2]" 1
823 3 17 TYR H 3 18 THR H 3.190 . 4.580 4.298 4.141 4.403 . 0 0 "[ . 1 . 2]" 1
824 3 17 TYR H 3 81 GLY H 2.830 . 3.860 3.878 3.456 4.071 0.211 6 0 "[ . 1 . 2]" 1
825 3 17 TYR QD 3 18 THR H 3.110 . 4.410 3.691 3.211 4.095 . 0 0 "[ . 1 . 2]" 1
826 3 17 TYR QD 4 28 ALA MB 3.390 . 4.980 3.198 2.737 3.472 . 0 0 "[ . 1 . 2]" 1
827 3 17 TYR QD 4 32 PHE QE 3.130 . 4.460 3.497 3.183 3.769 . 0 0 "[ . 1 . 2]" 1
828 3 17 TYR QE 3 83 ILE H 3.220 . 4.640 2.699 2.204 3.571 . 0 0 "[ . 1 . 2]" 1
829 3 17 TYR QE 4 28 ALA MB 3.030 . 4.260 1.897 1.709 2.386 0.091 11 0 "[ . 1 . 2]" 1
830 3 17 TYR QE 4 32 PHE QE 2.760 . 3.720 2.896 2.818 2.961 . 0 0 "[ . 1 . 2]" 1
831 3 18 THR H 3 19 LYS H 3.230 . 4.660 4.337 4.212 4.520 . 0 0 "[ . 1 . 2]" 1
832 3 18 THR H 4 121 GLY H 3.260 . 4.720 4.279 4.117 4.678 . 0 0 "[ . 1 . 2]" 1
833 3 19 LYS H 3 20 ASP H 2.150 . 2.500 2.409 2.218 2.532 0.032 13 0 "[ . 1 . 2]" 1
834 3 19 LYS H 3 79 GLN H 3.090 . 4.380 4.866 4.577 5.086 0.706 7 12 "[-* ***+* * * *. * *]" 1
835 3 19 LYS H 3 80 GLN H 3.480 . 5.160 5.013 4.866 5.132 . 0 0 "[ . 1 . 2]" 1
836 3 19 LYS H 3 81 GLY H 2.550 . 3.300 2.404 2.159 2.710 . 0 0 "[ . 1 . 2]" 1
837 3 20 ASP H 3 21 ILE H 3.170 . 4.540 4.240 4.139 4.304 . 0 0 "[ . 1 . 2]" 1
838 3 20 ASP H 3 78 VAL MG1 3.430 . 5.060 4.310 3.957 4.686 . 0 0 "[ . 1 . 2]" 1
839 3 20 ASP H 3 79 GLN H 2.420 . 3.040 3.308 3.103 3.456 0.416 7 0 "[ . 1 . 2]" 1
840 3 20 ASP H 4 25 ALA H 3.510 . 5.220 5.008 4.706 5.211 . 0 0 "[ . 1 . 2]" 1
841 3 21 ILE H 3 22 SER H 3.080 . 4.360 4.278 4.203 4.311 . 0 0 "[ . 1 . 2]" 1
842 3 21 ILE H 3 79 GLN H 3.500 . 5.200 4.725 4.571 4.961 . 0 0 "[ . 1 . 2]" 1
843 3 21 ILE H 4 23 PHE H 2.720 . 3.640 2.794 2.576 2.934 . 0 0 "[ . 1 . 2]" 1
844 3 22 SER H 3 23 PHE H 3.200 . 4.600 4.242 4.183 4.299 . 0 0 "[ . 1 . 2]" 1
845 3 22 SER H 3 77 GLU H 2.460 . 3.120 3.183 2.973 3.477 0.357 11 0 "[ . 1 . 2]" 1
846 3 22 SER H 3 78 VAL H 3.440 . 5.080 5.069 4.912 5.170 0.090 9 0 "[ . 1 . 2]" 1
847 3 22 SER H 3 78 VAL MG2 3.050 . 4.300 3.125 2.741 3.445 . 0 0 "[ . 1 . 2]" 1
848 3 23 PHE H 3 24 GLU H 2.930 . 4.060 4.056 3.777 4.247 0.187 11 0 "[ . 1 . 2]" 1
849 3 23 PHE H 4 21 ILE H 2.850 . 3.900 2.812 2.606 2.988 . 0 0 "[ . 1 . 2]" 1
850 3 23 PHE QD 3 24 GLU H 2.950 . 4.100 3.627 3.349 4.002 . 0 0 "[ . 1 . 2]" 1
851 3 23 PHE QD 4 21 ILE H 3.380 . 4.960 4.051 3.739 4.269 . 0 0 "[ . 1 . 2]" 1
852 3 23 PHE QE 3 25 ALA MB 3.160 . 4.520 2.673 2.556 2.874 . 0 0 "[ . 1 . 2]" 1
853 3 23 PHE QE 3 121 GLY H 3.140 . 4.480 3.825 3.544 4.270 . 0 0 "[ . 1 . 2]" 1
854 3 24 GLU H 3 25 ALA H 3.240 . 4.680 4.089 3.889 4.239 . 0 0 "[ . 1 . 2]" 1
855 3 24 GLU H 3 75 LEU H 2.490 . 3.180 3.080 2.810 3.338 0.158 19 0 "[ . 1 . 2]" 1
856 3 25 ALA MB 3 28 ALA H 3.350 . 4.900 3.203 3.004 3.610 . 0 0 "[ . 1 . 2]" 1
857 3 25 ALA MB 3 28 ALA MB 3.120 . 4.440 2.034 1.868 2.583 . 0 0 "[ . 1 . 2]" 1
858 3 25 ALA MB 3 123 PHE QE 3.440 . 5.080 2.327 2.104 2.496 . 0 0 "[ . 1 . 2]" 1
859 3 27 ASN H 3 28 ALA H 2.570 . 3.340 2.664 2.496 2.874 . 0 0 "[ . 1 . 2]" 1
860 3 28 ALA H 3 30 HIS H 2.950 . 4.100 4.549 4.343 4.777 0.677 15 9 "[** ** -1 ** + *]" 1
861 3 28 ALA H 3 31 VAL H 3.330 . 4.860 4.878 4.793 5.025 0.165 1 0 "[ . 1 . 2]" 1
862 3 28 ALA MB 3 32 PHE QE 3.340 . 4.880 2.903 2.802 3.021 . 0 0 "[ . 1 . 2]" 1
863 3 28 ALA MB 4 17 TYR QD 3.370 . 4.940 2.798 2.377 3.167 . 0 0 "[ . 1 . 2]" 1
864 3 28 ALA MB 4 17 TYR QE 3.040 . 4.280 2.221 1.806 2.801 . 0 0 "[ . 1 . 2]" 1
865 3 30 HIS H 3 31 VAL H 2.340 . 2.880 2.615 2.564 2.664 . 0 0 "[ . 1 . 2]" 1
866 3 30 HIS H 3 32 PHE H 2.920 . 4.040 4.150 3.969 4.364 0.324 1 0 "[ . 1 . 2]" 1
867 3 31 VAL H 3 32 PHE H 2.360 . 2.920 2.503 2.439 2.615 . 0 0 "[ . 1 . 2]" 1
868 3 31 VAL H 3 33 GLN H 3.200 . 4.600 4.253 4.025 4.491 . 0 0 "[ . 1 . 2]" 1
869 3 31 VAL MG1 3 32 PHE H 2.440 . 3.080 2.586 2.429 2.857 . 0 0 "[ . 1 . 2]" 1
870 3 31 VAL MG1 3 32 PHE QD 3.070 . 4.340 2.886 2.624 3.092 . 0 0 "[ . 1 . 2]" 1
871 3 31 VAL MG1 3 32 PHE QE 3.300 . 4.800 3.317 3.063 3.579 . 0 0 "[ . 1 . 2]" 1
872 3 31 VAL MG1 3 123 PHE QE 2.890 . 3.980 2.161 1.933 2.668 . 0 0 "[ . 1 . 2]" 1
873 3 31 VAL MG2 3 32 PHE H 3.430 . 5.060 4.024 3.840 4.266 . 0 0 "[ . 1 . 2]" 1
874 3 31 VAL MG2 3 36 TRP HE3 3.210 . 4.620 3.814 3.211 4.528 . 0 0 "[ . 1 . 2]" 1
875 3 31 VAL MG2 3 36 TRP HZ3 2.760 . 3.720 3.502 2.503 4.564 0.844 9 1 "[ . +1 . 2]" 1
876 3 31 VAL MG2 3 68 LEU MD1 2.330 . 2.860 1.910 1.824 1.992 . 0 0 "[ . 1 . 2]" 1
877 3 31 VAL MG2 3 68 LEU MD2 3.400 . 5.000 3.653 3.313 4.034 . 0 0 "[ . 1 . 2]" 1
878 3 31 VAL MG2 3 73 ALA MB 3.090 . 4.380 2.471 2.130 2.999 . 0 0 "[ . 1 . 2]" 1
879 3 32 PHE H 3 33 GLN H 2.310 . 2.820 2.652 2.535 2.770 . 0 0 "[ . 1 . 2]" 1
880 3 32 PHE H 3 34 LYS H 3.140 . 4.480 4.271 4.065 4.636 0.156 19 0 "[ . 1 . 2]" 1
881 3 32 PHE QD 3 33 GLN H 3.320 . 4.840 4.653 4.523 4.782 . 0 0 "[ . 1 . 2]" 1
882 3 32 PHE QE 3 123 PHE QE 3.490 . 5.180 3.108 2.634 3.254 . 0 0 "[ . 1 . 2]" 1
883 3 32 PHE QE 4 17 TYR QD 3.230 . 4.660 3.101 2.896 3.432 . 0 0 "[ . 1 . 2]" 1
884 3 32 PHE QE 4 17 TYR QE 3.450 . 5.100 3.049 2.889 3.401 . 0 0 "[ . 1 . 2]" 1
885 3 33 GLN H 3 34 LYS H 2.380 . 2.960 2.698 2.478 3.104 0.144 19 0 "[ . 1 . 2]" 1
886 3 34 LYS H 3 35 ASP H 3.230 . 4.660 4.535 4.468 4.607 . 0 0 "[ . 1 . 2]" 1
887 3 35 ASP H 3 36 TRP H 3.290 . 4.780 4.532 4.443 4.586 . 0 0 "[ . 1 . 2]" 1
888 3 36 TRP H 3 37 GLN H 3.080 . 4.360 3.997 3.855 4.212 . 0 0 "[ . 1 . 2]" 1
889 3 36 TRP HE1 3 126 LEU QD 2.490 . 3.180 4.109 2.632 4.976 1.796 19 14 "[* -** ** 1*** ** *+*]" 1
890 3 36 TRP HE3 3 37 GLN H 2.860 . 3.920 4.350 4.016 4.595 0.675 13 7 "[ * * *+*. * -]" 1
891 3 36 TRP HE3 3 68 LEU MD1 3.310 . 4.820 3.210 2.735 3.716 . 0 0 "[ . 1 . 2]" 1
892 3 36 TRP HE3 3 68 LEU MD2 2.630 . 3.460 2.628 2.372 2.837 . 0 0 "[ . 1 . 2]" 1
893 3 36 TRP HZ3 3 68 LEU MD1 3.150 . 4.500 3.606 2.766 4.516 0.016 10 0 "[ . 1 . 2]" 1
894 3 36 TRP HZ3 3 68 LEU MD2 2.790 . 3.780 3.227 2.973 3.709 . 0 0 "[ . 1 . 2]" 1
895 3 36 TRP HZ3 3 73 ALA MB 2.550 . 3.300 2.014 1.798 2.516 0.002 17 0 "[ . 1 . 2]" 1
896 3 37 GLN H 3 68 LEU MD2 2.260 . 2.720 1.873 1.720 2.062 0.080 16 0 "[ . 1 . 2]" 1
897 3 39 GLU H 3 40 VAL H 2.990 . 4.180 4.041 3.775 4.348 0.168 10 0 "[ . 1 . 2]" 1
898 3 39 GLU H 3 66 ALA MB 3.440 . 5.080 4.893 4.472 5.604 0.524 13 1 "[ . 1 + . 2]" 1
899 3 39 GLU H 3 67 SER H 2.130 . 2.460 2.808 2.180 3.717 1.257 12 6 "[ * .* 1 +*-. * 2]" 1
900 3 39 GLU H 3 68 LEU H 3.410 . 5.020 4.745 4.525 4.979 . 0 0 "[ . 1 . 2]" 1
901 3 39 GLU H 3 69 GLY H 3.300 . 4.800 3.900 3.333 4.683 . 0 0 "[ . 1 . 2]" 1
902 3 40 VAL H 3 41 LYS H 3.300 . 4.800 4.246 4.119 4.553 . 0 0 "[ . 1 . 2]" 1
903 3 40 VAL QG 3 41 LYS H 2.620 . 3.440 3.173 2.513 3.385 . 0 0 "[ . 1 . 2]" 1
904 3 40 VAL QG 3 42 LEU H 3.460 . 5.120 3.572 3.036 3.961 . 0 0 "[ . 1 . 2]" 1
905 3 40 VAL QG 3 64 VAL MG1 3.320 . 4.830 2.465 1.930 3.581 . 0 0 "[ . 1 . 2]" 1
906 3 40 VAL QG 3 126 LEU QD 3.040 . 4.280 1.894 1.582 2.831 0.218 7 0 "[ . 1 . 2]" 1
907 3 40 VAL QG 3 128 LEU QD 2.820 . 3.840 3.250 1.805 4.950 1.110 12 2 "[ . 1 + .- 2]" 1
908 3 41 LYS H 3 42 LEU H 3.050 . 4.300 4.114 3.901 4.201 . 0 0 "[ . 1 . 2]" 1
909 3 41 LYS H 3 64 VAL MG1 3.250 . 4.700 4.052 3.331 4.719 0.019 13 0 "[ . 1 . 2]" 1
910 3 41 LYS H 3 65 THR H 2.640 . 3.480 3.416 3.052 3.837 0.357 13 0 "[ . 1 . 2]" 1
911 3 41 LYS H 3 128 LEU QD 3.430 . 5.060 6.228 5.111 7.692 2.632 12 17 "[ ** **** **+******-*]" 1
912 3 42 LEU H 3 43 ASP H 3.240 . 4.680 4.500 4.389 4.585 . 0 0 "[ . 1 . 2]" 1
913 3 42 LEU H 3 128 LEU QD 3.280 . 4.760 4.968 4.154 6.582 1.822 12 6 "[ .* - 1*+ *. * 2]" 1
914 3 42 LEU MD1 3 131 VAL MG2 3.340 . 4.880 3.276 2.150 5.205 0.325 8 0 "[ . 1 . 2]" 1
915 3 42 LEU MD2 3 128 LEU QD 3.470 . 5.140 2.680 1.784 4.027 0.016 4 0 "[ . 1 . 2]" 1
916 3 43 ASP H 3 44 LEU H 2.990 . 4.180 4.272 4.034 4.440 0.260 2 0 "[ . 1 . 2]" 1
917 3 43 ASP H 3 62 VAL MG1 3.410 . 5.020 3.582 3.109 4.360 . 0 0 "[ . 1 . 2]" 1
918 3 43 ASP H 3 63 THR H 2.710 . 3.620 2.959 2.566 3.261 . 0 0 "[ . 1 . 2]" 1
919 3 43 ASP H 3 128 LEU QD 3.370 . 4.940 4.878 3.918 6.202 1.262 9 2 "[ . +1 . - 2]" 1
920 3 44 LEU H 3 45 ASP H 3.270 . 4.740 4.117 3.943 4.480 . 0 0 "[ . 1 . 2]" 1
921 3 44 LEU MD1 3 131 VAL MG1 2.860 . 3.920 2.020 1.726 2.493 0.074 5 0 "[ . 1 . 2]" 1
922 3 44 LEU MD1 3 131 VAL MG2 2.460 . 3.120 2.459 1.842 3.096 . 0 0 "[ . 1 . 2]" 1
923 3 44 LEU MD1 3 136 LEU MD1 3.510 . 5.220 2.600 2.043 3.101 . 0 0 "[ . 1 . 2]" 1
924 3 44 LEU MD2 3 45 ASP H 2.970 . 4.140 3.591 3.105 3.913 . 0 0 "[ . 1 . 2]" 1
925 3 44 LEU MD2 3 60 LEU MD1 2.840 . 3.880 2.718 2.200 2.993 . 0 0 "[ . 1 . 2]" 1
926 3 44 LEU MD2 3 60 LEU MD2 2.560 . 3.320 1.978 1.688 2.212 0.112 3 0 "[ . 1 . 2]" 1
927 3 44 LEU MD2 3 62 VAL MG1 3.140 . 4.480 2.024 1.770 2.228 0.030 8 0 "[ . 1 . 2]" 1
928 3 44 LEU MD2 3 62 VAL MG2 2.610 . 3.420 1.900 1.771 2.051 0.029 14 0 "[ . 1 . 2]" 1
929 3 44 LEU MD2 3 133 PHE QE 2.770 . 3.740 2.676 2.310 2.970 . 0 0 "[ . 1 . 2]" 1
930 3 45 ASP H 3 46 THR H 3.110 . 4.410 4.274 4.086 4.458 0.048 9 0 "[ . 1 . 2]" 1
931 3 45 ASP H 3 60 LEU MD2 2.460 . 3.120 3.078 2.595 3.712 0.592 20 1 "[ . 1 . +]" 1
932 3 45 ASP H 3 61 ARG H 2.630 . 3.460 3.818 3.522 4.160 0.700 20 3 "[ - . 1 *. +]" 1
933 3 45 ASP H 3 62 VAL MG2 3.370 . 4.940 4.365 3.864 4.816 . 0 0 "[ . 1 . 2]" 1
934 3 46 THR H 3 47 ALA H 3.240 . 4.680 4.400 4.290 4.478 . 0 0 "[ . 1 . 2]" 1
935 3 46 THR H 3 61 ARG H 3.460 . 5.120 4.899 4.706 5.017 . 0 0 "[ . 1 . 2]" 1
936 3 47 ALA H 3 48 SER H 3.200 . 4.600 4.362 4.260 4.507 . 0 0 "[ . 1 . 2]" 1
937 3 47 ALA H 3 58 VAL MG1 3.130 . 4.460 3.575 3.195 3.802 . 0 0 "[ . 1 . 2]" 1
938 3 47 ALA H 3 59 VAL H 2.680 . 3.560 3.037 2.814 3.392 . 0 0 "[ . 1 . 2]" 1
939 3 47 ALA H 3 61 ARG H 3.280 . 4.760 4.492 4.032 4.943 0.183 3 0 "[ . 1 . 2]" 1
940 3 47 ALA MB 3 48 SER H 2.710 . 3.620 2.645 2.308 3.032 . 0 0 "[ . 1 . 2]" 1
941 3 47 ALA MB 3 59 VAL H 3.320 . 4.840 3.755 3.061 4.241 . 0 0 "[ . 1 . 2]" 1
942 3 48 SER H 3 49 SER H 3.240 . 4.680 4.369 4.279 4.448 . 0 0 "[ . 1 . 2]" 1
943 3 49 SER H 3 50 GLN H 3.070 . 4.340 4.206 4.095 4.382 0.042 14 0 "[ . 1 . 2]" 1
944 3 49 SER H 3 57 GLU H 2.400 . 3.000 3.279 2.964 3.400 0.400 10 0 "[ . 1 . 2]" 1
945 3 50 GLN H 3 51 LEU H 3.260 . 4.720 4.428 4.348 4.530 . 0 0 "[ . 1 . 2]" 1
946 3 50 GLN H 3 57 GLU H 3.380 . 4.960 4.972 4.693 5.171 0.211 14 0 "[ . 1 . 2]" 1
947 3 51 LEU H 3 52 ALA H 2.100 . 2.400 2.306 2.178 2.407 0.007 14 0 "[ . 1 . 2]" 1
948 3 51 LEU H 3 55 VAL H 3.330 . 4.860 4.626 4.382 4.816 . 0 0 "[ . 1 . 2]" 1
949 3 51 LEU H 3 55 VAL MG1 3.290 . 4.780 3.398 3.109 3.889 . 0 0 "[ . 1 . 2]" 1
950 3 51 LEU H 3 57 GLU H 2.960 . 4.120 3.433 3.258 3.976 . 0 0 "[ . 1 . 2]" 1
951 3 51 LEU MD1 3 55 VAL MG1 3.030 . 4.260 2.278 1.930 2.557 . 0 0 "[ . 1 . 2]" 1
952 3 52 ALA H 3 53 ASP H 3.170 . 4.540 4.315 4.273 4.363 . 0 0 "[ . 1 . 2]" 1
953 3 52 ALA H 3 55 VAL H 2.820 . 3.840 3.413 3.261 3.531 . 0 0 "[ . 1 . 2]" 1
954 3 52 ALA H 3 55 VAL MG1 2.960 . 4.120 3.365 3.086 3.669 . 0 0 "[ . 1 . 2]" 1
955 3 52 ALA H 3 55 VAL MG2 3.120 . 4.440 3.980 3.636 4.263 . 0 0 "[ . 1 . 2]" 1
956 3 52 ALA MB 3 53 ASP H 2.310 . 2.820 1.896 1.809 2.000 . 0 0 "[ . 1 . 2]" 1
957 3 52 ALA MB 3 55 VAL MG2 2.960 . 4.120 2.511 2.265 2.864 . 0 0 "[ . 1 . 2]" 1
958 3 53 ASP H 3 54 ASP H 3.280 . 4.760 4.419 4.330 4.558 . 0 0 "[ . 1 . 2]" 1
959 3 53 ASP H 3 55 VAL H 3.380 . 4.960 4.291 4.071 4.615 . 0 0 "[ . 1 . 2]" 1
960 3 53 ASP H 3 55 VAL MG2 3.260 . 4.720 4.051 3.743 4.430 . 0 0 "[ . 1 . 2]" 1
961 3 54 ASP H 3 55 VAL H 2.340 . 2.880 2.701 2.615 2.886 0.006 20 0 "[ . 1 . 2]" 1
962 3 55 VAL H 3 56 TYR H 2.950 . 4.100 4.225 4.126 4.335 0.235 2 0 "[ . 1 . 2]" 1
963 3 55 VAL H 3 56 TYR QD 3.410 . 5.020 4.334 4.124 4.822 . 0 0 "[ . 1 . 2]" 1
964 3 55 VAL H 3 56 TYR QE 3.470 . 5.140 4.358 4.094 4.915 . 0 0 "[ . 1 . 2]" 1
965 3 55 VAL MG1 3 56 TYR H 3.040 . 4.280 2.983 2.888 3.190 . 0 0 "[ . 1 . 2]" 1
966 3 56 TYR H 3 57 GLU H 3.270 . 4.740 4.257 4.182 4.468 . 0 0 "[ . 1 . 2]" 1
967 3 56 TYR H 3 84 PHE H 2.990 . 4.180 3.430 2.976 3.826 . 0 0 "[ . 1 . 2]" 1
968 3 56 TYR H 3 86 ILE H 2.710 . 3.620 3.398 2.948 3.794 0.174 11 0 "[ . 1 . 2]" 1
969 3 56 TYR QD 3 57 GLU H 3.330 . 4.860 4.478 3.867 4.799 . 0 0 "[ . 1 . 2]" 1
970 3 56 TYR QD 3 86 ILE H 3.290 . 4.780 2.582 2.280 2.868 . 0 0 "[ . 1 . 2]" 1
971 3 56 TYR QD 3 98 LEU MD1 3.060 . 4.320 2.879 2.652 3.303 . 0 0 "[ . 1 . 2]" 1
972 3 56 TYR QD 3 98 LEU MD2 3.040 . 4.280 3.037 2.797 3.404 . 0 0 "[ . 1 . 2]" 1
973 3 56 TYR QE 3 98 LEU MD1 3.440 . 5.080 3.438 3.145 3.972 . 0 0 "[ . 1 . 2]" 1
974 3 57 GLU H 3 58 VAL H 3.130 . 4.460 4.452 4.276 4.566 0.106 9 0 "[ . 1 . 2]" 1
975 3 58 VAL H 3 59 VAL H 3.170 . 4.540 4.355 4.197 4.509 . 0 0 "[ . 1 . 2]" 1
976 3 58 VAL H 3 82 GLY H 2.770 . 3.740 3.214 2.878 3.564 . 0 0 "[ . 1 . 2]" 1
977 3 58 VAL H 3 84 PHE H 2.970 . 4.140 4.345 3.960 4.809 0.669 11 2 "[ - 1+ . 2]" 1
978 3 58 VAL H 3 84 PHE QD 3.500 . 5.200 3.031 2.656 3.466 . 0 0 "[ . 1 . 2]" 1
979 3 58 VAL MG1 3 59 VAL H 2.800 . 3.800 2.554 2.145 3.068 . 0 0 "[ . 1 . 2]" 1
980 3 58 VAL MG2 3 98 LEU MD2 2.460 . 3.120 2.073 1.967 2.201 . 0 0 "[ . 1 . 2]" 1
981 3 59 VAL H 3 60 LEU H 3.200 . 4.600 4.347 4.193 4.476 . 0 0 "[ . 1 . 2]" 1
982 3 59 VAL MG1 3 60 LEU H 2.670 . 3.540 2.486 2.250 2.647 . 0 0 "[ . 1 . 2]" 1
983 3 59 VAL MG1 3 80 GLN H 3.380 . 4.960 3.452 3.202 3.629 . 0 0 "[ . 1 . 2]" 1
984 3 59 VAL MG1 3 81 GLY H 3.360 . 4.920 3.405 3.022 3.731 . 0 0 "[ . 1 . 2]" 1
985 3 59 VAL MG2 3 60 LEU H 3.500 . 5.200 4.058 3.941 4.184 . 0 0 "[ . 1 . 2]" 1
986 3 59 VAL MG2 3 82 GLY H 3.240 . 4.680 3.300 2.987 3.658 . 0 0 "[ . 1 . 2]" 1
987 3 60 LEU H 3 61 ARG H 3.180 . 4.560 3.950 3.762 4.174 . 0 0 "[ . 1 . 2]" 1
988 3 60 LEU H 3 80 GLN H 2.920 . 4.040 3.376 3.136 3.879 . 0 0 "[ . 1 . 2]" 1
989 3 60 LEU H 3 81 GLY H 3.300 . 4.800 4.619 4.433 4.947 0.147 3 0 "[ . 1 . 2]" 1
990 3 60 LEU MD1 3 62 VAL MG2 2.790 . 3.780 2.058 1.849 2.466 . 0 0 "[ . 1 . 2]" 1
991 3 60 LEU MD1 3 110 ALA H 3.520 . 5.240 4.358 4.197 4.583 . 0 0 "[ . 1 . 2]" 1
992 3 60 LEU MD1 3 110 ALA MB 3.060 . 4.320 2.675 2.530 2.867 . 0 0 "[ . 1 . 2]" 1
993 3 60 LEU MD1 3 133 PHE QE 2.740 . 3.680 2.911 2.675 3.357 . 0 0 "[ . 1 . 2]" 1
994 3 60 LEU MD2 3 61 ARG H 2.450 . 3.100 2.801 2.385 2.937 . 0 0 "[ . 1 . 2]" 1
995 3 60 LEU MD2 3 62 VAL H 3.500 . 5.200 3.667 3.448 4.280 . 0 0 "[ . 1 . 2]" 1
996 3 60 LEU MD2 3 62 VAL MG2 2.700 . 3.600 2.092 1.926 3.053 . 0 0 "[ . 1 . 2]" 1
997 3 60 LEU MD2 3 133 PHE QE 3.140 . 4.480 2.224 1.944 2.599 . 0 0 "[ . 1 . 2]" 1
998 3 61 ARG H 3 62 VAL H 3.150 . 4.500 4.260 4.203 4.315 . 0 0 "[ . 1 . 2]" 1
999 3 61 ARG H 3 62 VAL MG2 3.470 . 5.140 4.352 4.197 4.534 . 0 0 "[ . 1 . 2]" 1
1000 3 62 VAL H 3 63 THR H 3.210 . 4.620 4.336 4.215 4.431 . 0 0 "[ . 1 . 2]" 1
1001 3 62 VAL H 3 78 VAL H 2.850 . 3.900 3.278 2.989 3.506 . 0 0 "[ . 1 . 2]" 1
1002 3 62 VAL H 3 80 GLN H 3.090 . 4.380 3.937 3.758 4.219 . 0 0 "[ . 1 . 2]" 1
1003 3 62 VAL MG1 3 63 THR H 2.600 . 3.400 2.717 2.529 2.892 . 0 0 "[ . 1 . 2]" 1
1004 3 62 VAL MG1 3 64 VAL MG2 3.170 . 4.540 2.711 2.312 3.111 . 0 0 "[ . 1 . 2]" 1
1005 3 62 VAL MG1 3 128 LEU QD 3.460 . 5.120 2.930 1.977 4.476 . 0 0 "[ . 1 . 2]" 1
1006 3 62 VAL MG2 3 63 THR H 3.500 . 5.200 4.236 4.141 4.324 . 0 0 "[ . 1 . 2]" 1
1007 3 62 VAL MG2 3 80 GLN H 3.440 . 5.080 4.074 3.821 4.306 . 0 0 "[ . 1 . 2]" 1
1008 3 62 VAL MG2 3 110 ALA MB 2.790 . 3.780 2.027 1.777 2.130 0.023 4 0 "[ . 1 . 2]" 1
1009 3 63 THR H 3 64 VAL H 3.170 . 4.540 4.298 4.058 4.485 . 0 0 "[ . 1 . 2]" 1
1010 3 63 THR H 3 64 VAL MG2 3.500 . 5.200 4.163 3.846 4.506 . 0 0 "[ . 1 . 2]" 1
1011 3 64 VAL H 3 65 THR H 3.070 . 4.340 4.138 3.938 4.319 . 0 0 "[ . 1 . 2]" 1
1012 3 64 VAL H 3 76 CYS H 2.810 . 3.820 3.305 3.091 3.663 . 0 0 "[ . 1 . 2]" 1
1013 3 64 VAL H 3 77 GLU H 3.450 . 5.100 4.863 4.665 5.043 . 0 0 "[ . 1 . 2]" 1
1014 3 64 VAL H 3 78 VAL H 3.490 . 5.180 5.143 4.740 5.501 0.321 10 0 "[ . 1 . 2]" 1
1015 3 64 VAL MG1 3 65 THR H 2.930 . 4.060 3.082 2.628 3.260 . 0 0 "[ . 1 . 2]" 1
1016 3 64 VAL MG1 3 128 LEU QD 3.100 . 4.340 3.145 2.483 4.380 0.040 16 0 "[ . 1 . 2]" 1
1017 3 64 VAL MG2 3 128 LEU QD 2.430 . 3.060 2.164 1.751 2.833 0.049 7 0 "[ . 1 . 2]" 1
1018 3 65 THR H 3 66 ALA H 3.280 . 4.760 4.398 4.117 4.518 . 0 0 "[ . 1 . 2]" 1
1019 3 66 ALA H 3 67 SER H 2.890 . 3.980 4.059 3.822 4.287 0.307 13 0 "[ . 1 . 2]" 1
1020 3 66 ALA H 3 73 ALA H 3.290 . 4.780 4.637 4.430 4.920 0.140 6 0 "[ . 1 . 2]" 1
1021 3 66 ALA H 3 74 PHE H 2.750 . 3.700 3.435 3.215 3.785 0.085 9 0 "[ . 1 . 2]" 1
1022 3 66 ALA MB 3 67 SER H 3.090 . 4.380 3.421 3.306 3.540 . 0 0 "[ . 1 . 2]" 1
1023 3 66 ALA MB 3 73 ALA H 3.360 . 4.920 3.688 3.459 3.914 . 0 0 "[ . 1 . 2]" 1
1024 3 66 ALA MB 3 73 ALA MB 2.790 . 3.780 2.193 1.974 2.470 . 0 0 "[ . 1 . 2]" 1
1025 3 66 ALA MB 3 74 PHE H 3.000 . 4.200 2.474 2.266 2.774 . 0 0 "[ . 1 . 2]" 1
1026 3 66 ALA MB 3 74 PHE QD 3.450 . 5.100 3.074 2.985 3.209 . 0 0 "[ . 1 . 2]" 1
1027 3 66 ALA MB 3 74 PHE QE 3.010 . 4.220 2.895 2.801 3.072 . 0 0 "[ . 1 . 2]" 1
1028 3 67 SER H 3 68 LEU H 3.230 . 4.660 4.267 4.194 4.336 . 0 0 "[ . 1 . 2]" 1
1029 3 67 SER H 3 69 GLY H 3.450 . 5.100 4.688 4.503 5.009 . 0 0 "[ . 1 . 2]" 1
1030 3 67 SER H 3 73 ALA H 3.320 . 4.830 4.390 4.183 4.690 . 0 0 "[ . 1 . 2]" 1
1031 3 68 LEU H 3 69 GLY H 2.500 . 3.200 3.198 2.691 3.500 0.300 3 0 "[ . 1 . 2]" 1
1032 3 68 LEU H 3 70 GLU H 3.370 . 4.940 5.395 4.446 5.644 0.704 1 11 "[+* *** -** *. **]" 1
1033 3 68 LEU H 3 71 GLU H 3.030 . 4.260 4.283 3.908 4.577 0.317 11 0 "[ . 1 . 2]" 1
1034 3 68 LEU H 3 72 THR H 3.430 . 5.060 4.939 4.839 5.052 . 0 0 "[ . 1 . 2]" 1
1035 3 68 LEU H 3 73 ALA H 2.540 . 3.280 3.274 2.938 3.660 0.380 8 0 "[ . 1 . 2]" 1
1036 3 68 LEU H 3 73 ALA MB 3.470 . 5.140 3.499 3.312 3.831 . 0 0 "[ . 1 . 2]" 1
1037 3 68 LEU MD1 3 73 ALA H 3.240 . 4.680 4.207 3.644 4.760 0.080 16 0 "[ . 1 . 2]" 1
1038 3 68 LEU MD1 3 73 ALA MB 3.180 . 4.560 2.650 2.195 3.120 . 0 0 "[ . 1 . 2]" 1
1039 3 68 LEU MD2 3 73 ALA MB 3.270 . 4.740 2.774 2.421 3.108 . 0 0 "[ . 1 . 2]" 1
1040 3 69 GLY H 3 70 GLU H 2.890 . 3.990 4.160 3.602 4.400 0.410 1 0 "[ . 1 . 2]" 1
1041 3 69 GLY H 3 71 GLU H 3.270 . 4.740 4.491 3.917 4.857 0.117 5 0 "[ . 1 . 2]" 1
1042 3 70 GLU H 3 71 GLU H 1.930 . 2.060 2.174 1.831 2.258 0.198 14 0 "[ . 1 . 2]" 1
1043 3 71 GLU H 3 72 THR H 3.190 . 4.580 4.446 4.304 4.535 . 0 0 "[ . 1 . 2]" 1
1044 3 72 THR H 3 73 ALA H 3.260 . 4.720 4.441 4.348 4.541 . 0 0 "[ . 1 . 2]" 1
1045 3 73 ALA H 3 74 PHE H 2.450 . 3.100 2.583 2.368 2.724 . 0 0 "[ . 1 . 2]" 1
1046 3 73 ALA MB 3 74 PHE H 2.420 . 3.040 2.248 2.114 2.363 . 0 0 "[ . 1 . 2]" 1
1047 3 73 ALA MB 3 74 PHE QD 3.200 . 4.600 2.777 2.596 3.046 . 0 0 "[ . 1 . 2]" 1
1048 3 73 ALA MB 3 74 PHE QE 3.460 . 5.120 3.672 3.406 4.055 . 0 0 "[ . 1 . 2]" 1
1049 3 74 PHE H 3 75 LEU H 3.140 . 4.480 4.306 4.266 4.349 . 0 0 "[ . 1 . 2]" 1
1050 3 74 PHE QD 3 75 LEU H 3.220 . 4.640 3.361 2.947 3.748 . 0 0 "[ . 1 . 2]" 1
1051 3 74 PHE QD 3 123 PHE QD 3.460 . 5.120 3.110 2.846 3.261 . 0 0 "[ . 1 . 2]" 1
1052 3 74 PHE QD 3 123 PHE QE 3.230 . 4.660 3.190 3.015 3.355 . 0 0 "[ . 1 . 2]" 1
1053 3 74 PHE QE 3 118 VAL MG1 2.950 . 4.100 2.792 2.492 3.142 . 0 0 "[ . 1 . 2]" 1
1054 3 74 PHE QE 3 118 VAL MG2 3.210 . 4.620 2.699 2.463 2.883 . 0 0 "[ . 1 . 2]" 1
1055 3 74 PHE QE 3 123 PHE QD 3.370 . 4.940 3.496 3.318 3.674 . 0 0 "[ . 1 . 2]" 1
1056 3 75 LEU H 3 76 CYS H 3.170 . 4.540 4.338 3.817 4.453 . 0 0 "[ . 1 . 2]" 1
1057 3 75 LEU MD1 3 76 CYS H 2.840 . 3.880 2.281 2.096 3.297 . 0 0 "[ . 1 . 2]" 1
1058 3 75 LEU MD1 3 77 GLU H 3.200 . 4.600 3.721 2.943 4.147 . 0 0 "[ . 1 . 2]" 1
1059 3 75 LEU MD2 3 76 CYS H 2.800 . 3.800 2.308 2.078 3.150 . 0 0 "[ . 1 . 2]" 1
1060 3 76 CYS H 3 77 GLU H 3.220 . 4.640 4.263 3.925 4.497 . 0 0 "[ . 1 . 2]" 1
1061 3 77 GLU H 3 78 VAL H 3.010 . 4.220 4.169 4.070 4.320 0.100 6 0 "[ . 1 . 2]" 1
1062 3 77 GLU H 3 78 VAL MG2 3.140 . 4.480 3.648 3.397 4.140 . 0 0 "[ . 1 . 2]" 1
1063 3 78 VAL H 3 79 GLN H 3.230 . 4.660 4.118 3.990 4.318 . 0 0 "[ . 1 . 2]" 1
1064 3 78 VAL MG1 3 79 GLN H 2.420 . 3.040 2.973 2.527 3.247 0.207 6 0 "[ . 1 . 2]" 1
1065 3 78 VAL MG1 3 80 GLN H 3.030 . 4.260 2.911 2.636 3.335 . 0 0 "[ . 1 . 2]" 1
1066 3 78 VAL MG2 3 79 GLN H 3.350 . 4.900 4.102 3.942 4.236 . 0 0 "[ . 1 . 2]" 1
1067 3 78 VAL MG2 3 114 ILE H 3.200 . 4.600 3.011 2.698 3.164 . 0 0 "[ . 1 . 2]" 1
1068 3 79 GLN H 3 80 GLN H 2.910 . 4.020 3.943 3.762 4.023 0.003 4 0 "[ . 1 . 2]" 1
1069 3 80 GLN H 3 81 GLY H 3.220 . 4.640 4.216 4.161 4.299 . 0 0 "[ . 1 . 2]" 1
1070 3 80 GLN H 3 110 ALA MB 2.790 . 3.780 3.448 3.249 3.622 . 0 0 "[ . 1 . 2]" 1
1071 3 81 GLY H 3 82 GLY H 3.230 . 4.660 4.569 4.526 4.622 . 0 0 "[ . 1 . 2]" 1
1072 3 82 GLY H 3 83 ILE H 3.040 . 4.280 4.092 3.802 4.331 0.051 9 0 "[ . 1 . 2]" 1
1073 3 83 ILE H 3 84 PHE H 3.200 . 4.600 4.473 4.417 4.523 . 0 0 "[ . 1 . 2]" 1
1074 3 84 PHE H 3 85 SER H 3.250 . 4.700 4.170 4.090 4.379 . 0 0 "[ . 1 . 2]" 1
1075 3 84 PHE QD 3 85 SER H 3.320 . 4.830 4.304 3.974 4.570 . 0 0 "[ . 1 . 2]" 1
1076 3 85 SER H 3 86 ILE H 3.090 . 4.380 4.254 4.164 4.303 . 0 0 "[ . 1 . 2]" 1
1077 3 86 ILE H 3 87 ALA H 3.240 . 4.680 4.383 4.209 4.467 . 0 0 "[ . 1 . 2]" 1
1078 3 87 ALA H 3 88 GLY H 3.070 . 4.340 4.407 4.316 4.483 0.143 13 0 "[ . 1 . 2]" 1
1079 3 87 ALA H 3 89 ILE H 3.170 . 4.540 4.409 3.983 4.920 0.380 8 0 "[ . 1 . 2]" 1
1080 3 87 ALA MB 3 88 GLY H 2.870 . 3.940 2.412 2.236 2.710 . 0 0 "[ . 1 . 2]" 1
1081 3 88 GLY H 3 89 ILE H 2.540 . 3.280 2.933 2.706 3.294 0.014 19 0 "[ . 1 . 2]" 1
1082 3 89 ILE H 3 90 GLU H 3.300 . 4.800 4.537 4.494 4.603 . 0 0 "[ . 1 . 2]" 1
1083 3 90 GLU H 3 91 GLY H 3.170 . 4.540 4.328 4.277 4.380 . 0 0 "[ . 1 . 2]" 1
1084 3 90 GLU H 3 94 MET H 3.090 . 4.380 3.354 3.048 3.807 . 0 0 "[ . 1 . 2]" 1
1085 3 91 GLY H 3 92 THR H 3.310 . 4.820 4.503 4.435 4.573 . 0 0 "[ . 1 . 2]" 1
1086 3 91 GLY H 3 94 MET H 2.890 . 3.990 3.965 3.602 4.555 0.565 18 1 "[ . 1 . + 2]" 1
1087 3 91 GLY H 3 95 ALA H 3.220 . 4.640 4.734 4.423 5.210 0.570 11 1 "[ . 1+ . 2]" 1
1088 3 92 THR H 3 93 GLN H 2.390 . 2.980 2.621 2.506 2.761 . 0 0 "[ . 1 . 2]" 1
1089 3 92 THR H 3 94 MET H 3.120 . 4.440 4.475 4.127 4.877 0.437 12 0 "[ . 1 . 2]" 1
1090 3 92 THR H 3 95 ALA H 3.530 . 5.250 4.806 4.618 5.057 . 0 0 "[ . 1 . 2]" 1
1091 3 93 GLN H 3 94 MET H 2.330 . 2.860 2.760 2.528 2.928 0.068 3 0 "[ . 1 . 2]" 1
1092 3 93 GLN H 3 95 ALA H 3.310 . 4.820 4.121 3.851 4.301 . 0 0 "[ . 1 . 2]" 1
1093 3 93 GLN H 3 96 HIS H 3.470 . 5.140 4.633 4.465 4.862 . 0 0 "[ . 1 . 2]" 1
1094 3 94 MET H 3 95 ALA H 2.330 . 2.860 2.886 2.611 3.104 0.244 8 0 "[ . 1 . 2]" 1
1095 3 94 MET H 3 96 HIS H 3.050 . 4.300 4.205 3.961 4.406 0.106 8 0 "[ . 1 . 2]" 1
1096 3 94 MET H 3 97 CYS H 3.410 . 5.020 4.758 4.690 4.874 . 0 0 "[ . 1 . 2]" 1
1097 3 94 MET ME 3 98 LEU H 3.110 . 4.420 3.428 3.104 3.888 . 0 0 "[ . 1 . 2]" 1
1098 3 94 MET ME 3 98 LEU MD1 3.140 . 4.480 2.453 2.139 2.857 . 0 0 "[ . 1 . 2]" 1
1099 3 94 MET ME 3 98 LEU MD2 3.050 . 4.300 2.193 1.962 2.672 . 0 0 "[ . 1 . 2]" 1
1100 3 95 ALA H 3 96 HIS H 2.410 . 3.020 2.705 2.634 2.778 . 0 0 "[ . 1 . 2]" 1
1101 3 95 ALA H 3 97 CYS H 3.270 . 4.740 4.121 4.026 4.264 . 0 0 "[ . 1 . 2]" 1
1102 3 95 ALA H 3 98 LEU H 3.350 . 4.900 4.887 4.721 5.020 0.120 6 0 "[ . 1 . 2]" 1
1103 3 95 ALA MB 3 96 HIS H 2.570 . 3.340 2.609 2.472 2.781 . 0 0 "[ . 1 . 2]" 1
1104 3 95 ALA MB 3 137 PHE QE 3.070 . 4.340 2.852 2.191 3.304 . 0 0 "[ . 1 . 2]" 1
1105 3 96 HIS H 3 97 CYS H 2.410 . 3.020 2.553 2.397 2.676 . 0 0 "[ . 1 . 2]" 1
1106 3 96 HIS H 3 98 LEU H 2.960 . 4.120 4.075 3.960 4.310 0.190 8 0 "[ . 1 . 2]" 1
1107 3 96 HIS H 3 99 GLY H 3.350 . 4.900 4.586 4.189 4.855 . 0 0 "[ . 1 . 2]" 1
1108 3 96 HIS H 3 137 PHE QE 3.110 . 4.410 3.874 3.531 4.121 . 0 0 "[ . 1 . 2]" 1
1109 3 97 CYS H 3 98 LEU H 2.280 . 2.760 2.470 2.368 2.597 . 0 0 "[ . 1 . 2]" 1
1110 3 97 CYS H 3 99 GLY H 3.020 . 4.240 3.856 3.495 4.170 . 0 0 "[ . 1 . 2]" 1
1111 3 97 CYS H 3 100 ALA H 3.490 . 5.180 5.028 4.903 5.339 0.159 15 0 "[ . 1 . 2]" 1
1112 3 97 CYS H 3 101 TYR H 3.490 . 5.180 4.928 4.728 5.193 0.013 11 0 "[ . 1 . 2]" 1
1113 3 98 LEU H 3 99 GLY H 2.170 . 2.540 2.446 2.300 2.677 0.137 8 0 "[ . 1 . 2]" 1
1114 3 98 LEU H 3 100 ALA H 2.940 . 4.080 4.157 3.765 4.334 0.254 8 0 "[ . 1 . 2]" 1
1115 3 98 LEU H 3 101 TYR H 3.480 . 5.160 4.825 4.394 5.063 . 0 0 "[ . 1 . 2]" 1
1116 3 98 LEU H 3 102 CYS H 3.430 . 5.060 4.936 4.669 5.086 0.026 6 0 "[ . 1 . 2]" 1
1117 3 99 GLY H 3 100 ALA H 2.140 . 2.480 2.419 2.240 2.573 0.093 6 0 "[ . 1 . 2]" 1
1118 3 99 GLY H 3 100 ALA MB 3.340 . 4.880 4.034 3.887 4.316 . 0 0 "[ . 1 . 2]" 1
1119 3 99 GLY H 3 101 TYR H 3.240 . 4.680 4.003 3.811 4.347 . 0 0 "[ . 1 . 2]" 1
1120 3 99 GLY H 3 102 CYS H 3.300 . 4.800 4.795 4.622 5.022 0.222 2 0 "[ . 1 . 2]" 1
1121 3 100 ALA H 3 101 TYR H 2.250 . 2.700 2.156 2.001 2.402 . 0 0 "[ . 1 . 2]" 1
1122 3 100 ALA H 3 102 CYS H 2.450 . 3.100 3.456 3.149 3.741 0.641 11 2 "[ . - 1+ . 2]" 1
1123 3 100 ALA MB 3 101 TYR H 2.330 . 2.860 2.387 2.115 2.484 . 0 0 "[ . 1 . 2]" 1
1124 3 100 ALA MB 3 134 ASP H 3.230 . 4.660 3.301 2.902 3.522 . 0 0 "[ . 1 . 2]" 1
1125 3 101 TYR H 3 102 CYS H 2.320 . 2.840 2.768 2.648 2.982 0.142 12 0 "[ . 1 . 2]" 1
1126 3 101 TYR QD 3 102 CYS H 3.180 . 4.560 3.339 2.943 3.686 . 0 0 "[ . 1 . 2]" 1
1127 3 109 TYR H 3 110 ALA H 2.230 . 2.660 2.600 2.453 2.710 0.050 14 0 "[ . 1 . 2]" 1
1128 3 109 TYR H 3 111 ARG H 3.010 . 4.220 3.840 3.726 3.954 . 0 0 "[ . 1 . 2]" 1
1129 3 109 TYR QD 3 110 ALA H 3.420 . 5.040 4.012 3.909 4.228 . 0 0 "[ . 1 . 2]" 1
1130 3 110 ALA H 3 111 ARG H 2.110 . 2.420 2.576 2.495 2.635 0.215 4 0 "[ . 1 . 2]" 1
1131 3 110 ALA H 3 112 GLU H 3.250 . 4.700 4.340 4.162 4.595 . 0 0 "[ . 1 . 2]" 1
1132 3 110 ALA H 3 113 CYS H 3.430 . 5.060 4.827 4.708 4.929 . 0 0 "[ . 1 . 2]" 1
1133 3 110 ALA MB 3 111 ARG H 2.680 . 3.570 2.604 2.486 2.712 . 0 0 "[ . 1 . 2]" 1
1134 3 111 ARG H 3 112 GLU H 2.460 . 3.120 2.718 2.617 2.863 . 0 0 "[ . 1 . 2]" 1
1135 3 111 ARG H 3 113 CYS H 3.060 . 4.320 3.969 3.842 4.122 . 0 0 "[ . 1 . 2]" 1
1136 3 111 ARG H 3 114 ILE H 3.500 . 5.200 4.773 4.664 4.895 . 0 0 "[ . 1 . 2]" 1
1137 3 112 GLU H 3 113 CYS H 2.390 . 2.980 2.582 2.511 2.660 . 0 0 "[ . 1 . 2]" 1
1138 3 112 GLU H 3 114 ILE H 3.370 . 4.940 4.216 4.046 4.433 . 0 0 "[ . 1 . 2]" 1
1139 3 113 CYS H 3 114 ILE H 2.460 . 3.120 2.654 2.567 2.871 . 0 0 "[ . 1 . 2]" 1
1140 3 113 CYS H 3 115 THR H 3.250 . 4.700 4.228 3.955 4.454 . 0 0 "[ . 1 . 2]" 1
1141 3 113 CYS H 3 116 SER H 3.410 . 5.020 4.678 4.527 4.798 . 0 0 "[ . 1 . 2]" 1
1142 3 114 ILE H 3 115 THR H 2.450 . 3.100 2.662 2.545 2.758 . 0 0 "[ . 1 . 2]" 1
1143 3 114 ILE H 3 116 SER H 3.060 . 4.320 3.982 3.884 4.198 . 0 0 "[ . 1 . 2]" 1
1144 3 115 THR H 3 116 SER H 2.360 . 2.920 2.666 2.588 2.858 . 0 0 "[ . 1 . 2]" 1
1145 3 115 THR H 3 117 MET H 3.400 . 5.000 4.225 4.087 4.394 . 0 0 "[ . 1 . 2]" 1
1146 3 116 SER H 3 117 MET H 2.430 . 3.060 2.664 2.544 2.761 . 0 0 "[ . 1 . 2]" 1
1147 3 116 SER H 3 118 VAL H 3.030 . 4.260 4.100 3.960 4.228 . 0 0 "[ . 1 . 2]" 1
1148 3 116 SER H 3 119 SER H 3.470 . 5.140 4.689 4.586 4.805 . 0 0 "[ . 1 . 2]" 1
1149 3 117 MET H 3 118 VAL H 2.360 . 2.920 2.780 2.667 2.913 . 0 0 "[ . 1 . 2]" 1
1150 3 117 MET H 3 119 SER H 3.200 . 4.600 4.170 3.996 4.317 . 0 0 "[ . 1 . 2]" 1
1151 3 117 MET ME 4 117 MET ME 3.140 . 4.480 3.330 3.075 3.734 . 0 0 "[ . 1 . 2]" 1
1152 3 118 VAL H 3 119 SER H 2.310 . 2.820 2.611 2.538 2.699 . 0 0 "[ . 1 . 2]" 1
1153 3 118 VAL MG1 3 119 SER H 3.180 . 4.560 3.468 3.298 3.578 . 0 0 "[ . 1 . 2]" 1
1154 3 118 VAL MG1 3 123 PHE H 3.250 . 4.700 3.215 3.080 3.439 . 0 0 "[ . 1 . 2]" 1
1155 3 118 VAL MG1 3 123 PHE QD 3.070 . 4.340 3.355 3.133 3.717 . 0 0 "[ . 1 . 2]" 1
1156 3 118 VAL MG1 3 126 LEU H 3.280 . 4.760 3.067 2.117 3.519 . 0 0 "[ . 1 . 2]" 1
1157 3 118 VAL MG2 3 119 SER H 3.250 . 4.700 3.805 3.680 3.953 . 0 0 "[ . 1 . 2]" 1
1158 3 119 SER H 3 121 GLY H 3.080 . 4.360 4.143 3.919 4.326 . 0 0 "[ . 1 . 2]" 1
1159 3 121 GLY H 3 122 THR H 2.370 . 2.940 2.586 2.506 2.686 . 0 0 "[ . 1 . 2]" 1
1160 3 121 GLY H 3 123 PHE H 2.720 . 3.640 4.080 3.812 4.265 0.625 9 10 "[* . +*** **-* *]" 1
1161 3 121 GLY H 4 18 THR H 3.260 . 4.720 4.064 3.867 4.259 . 0 0 "[ . 1 . 2]" 1
1162 3 122 THR H 3 123 PHE H 2.380 . 2.960 2.735 2.643 2.875 . 0 0 "[ . 1 . 2]" 1
1163 3 122 THR H 4 18 THR H 3.300 . 4.800 4.562 4.336 4.746 . 0 0 "[ . 1 . 2]" 1
1164 3 125 GLN H 3 126 LEU H 3.260 . 4.720 4.477 4.357 4.624 . 0 0 "[ . 1 . 2]" 1
1165 3 125 GLN H 3 126 LEU QD 3.530 . 5.250 5.793 4.182 6.454 1.204 4 15 "[* *+* **-* ** ** ***]" 1
1166 3 126 LEU H 3 127 ASN H 2.800 . 3.800 3.757 3.393 4.004 0.204 16 0 "[ . 1 . 2]" 1
1167 3 126 LEU QD 3 127 ASN H 3.240 . 4.680 3.519 2.879 4.456 . 0 0 "[ . 1 . 2]" 1
1168 3 127 ASN H 3 128 LEU H 3.260 . 4.720 4.290 4.057 4.450 . 0 0 "[ . 1 . 2]" 1
1169 3 128 LEU H 3 129 ALA H 3.310 . 4.820 4.571 4.458 4.649 . 0 0 "[ . 1 . 2]" 1
1170 3 131 VAL MG1 3 133 PHE H 3.500 . 5.200 4.111 3.413 4.537 . 0 0 "[ . 1 . 2]" 1
1171 3 131 VAL MG1 3 136 LEU MD1 2.800 . 3.800 2.442 1.912 4.067 0.267 5 0 "[ . 1 . 2]" 1
1172 3 131 VAL MG1 3 136 LEU MD2 3.180 . 4.560 3.583 2.397 5.475 0.915 5 3 "[ * + 1 - . 2]" 1
1173 3 133 PHE H 3 134 ASP H 2.280 . 2.760 2.646 2.581 2.720 . 0 0 "[ . 1 . 2]" 1
1174 3 133 PHE H 3 135 ALA H 3.140 . 4.480 4.301 4.102 4.506 0.026 18 0 "[ . 1 . 2]" 1
1175 3 133 PHE H 3 136 LEU H 3.420 . 5.040 4.841 4.693 5.003 . 0 0 "[ . 1 . 2]" 1
1176 3 133 PHE QD 3 134 ASP H 3.280 . 4.760 4.289 4.048 4.745 . 0 0 "[ . 1 . 2]" 1
1177 3 133 PHE QD 3 136 LEU MD1 3.180 . 4.560 3.136 2.540 3.707 . 0 0 "[ . 1 . 2]" 1
1178 3 134 ASP H 3 135 ALA H 2.350 . 2.900 2.620 2.513 2.848 . 0 0 "[ . 1 . 2]" 1
1179 3 134 ASP H 3 136 LEU H 3.110 . 4.410 4.000 3.755 4.252 . 0 0 "[ . 1 . 2]" 1
1180 3 135 ALA H 3 136 LEU H 2.180 . 2.560 2.610 2.401 2.830 0.270 9 0 "[ . 1 . 2]" 1
1181 3 135 ALA H 3 137 PHE H 3.030 . 4.260 3.984 3.708 4.218 . 0 0 "[ . 1 . 2]" 1
1182 3 135 ALA H 3 138 MET H 3.390 . 4.980 4.725 4.480 5.270 0.290 17 0 "[ . 1 . 2]" 1
1183 3 135 ALA MB 3 136 LEU H 2.650 . 3.500 2.554 2.408 2.966 . 0 0 "[ . 1 . 2]" 1
1184 3 136 LEU H 3 137 PHE H 2.360 . 2.920 2.567 2.355 2.699 . 0 0 "[ . 1 . 2]" 1
1185 3 136 LEU H 3 138 MET H 3.080 . 4.360 4.012 3.674 4.532 0.172 14 0 "[ . 1 . 2]" 1
1186 3 137 PHE H 3 138 MET H 2.180 . 2.560 2.470 2.344 2.669 0.109 14 0 "[ . 1 . 2]" 1
1187 3 137 PHE H 3 139 ASN H 3.370 . 4.940 4.130 3.538 4.894 . 0 0 "[ . 1 . 2]" 1
1188 3 137 PHE H 3 140 TYR H 3.460 . 5.120 4.918 4.405 5.764 0.644 17 1 "[ . 1 . + 2]" 1
1189 3 137 PHE QD 3 138 MET H 3.320 . 4.840 4.178 3.226 4.614 . 0 0 "[ . 1 . 2]" 1
1190 3 137 PHE QE 3 141 LEU H 3.470 . 5.140 5.308 3.506 8.054 2.914 13 5 "[ **. 1 +*. - 2]" 1
1191 3 138 MET H 3 139 ASN H 2.510 . 3.220 2.630 2.355 3.113 . 0 0 "[ . 1 . 2]" 1
1192 3 138 MET H 3 140 TYR H 3.030 . 4.260 4.071 3.718 4.538 0.278 17 0 "[ . 1 . 2]" 1
1193 3 139 ASN H 3 140 TYR H 2.370 . 2.940 2.658 2.515 2.954 0.014 14 0 "[ . 1 . 2]" 1
1194 3 140 TYR H 3 141 LEU H 2.610 . 3.420 3.862 3.134 4.540 1.120 17 10 "[ **. * *1 **.*+ -*]" 1
1195 3 140 TYR QD 3 141 LEU H 2.420 . 3.040 2.624 1.924 3.384 0.344 4 0 "[ . 1 . 2]" 1
1196 3 140 TYR QE 3 141 LEU H 3.380 . 4.960 4.369 3.607 4.952 . 0 0 "[ . 1 . 2]" 1
1197 4 9 MET H 4 10 THR H 3.270 . 4.740 4.508 4.257 4.607 . 0 0 "[ . 1 . 2]" 1
1198 4 9 MET ME 4 10 THR H 3.220 . 4.640 3.614 3.185 4.534 . 0 0 "[ . 1 . 2]" 1
1199 4 9 MET ME 4 87 ALA H 2.190 . 2.580 2.929 2.140 3.373 0.793 19 6 "[ ** 1* .* -+2]" 1
1200 4 9 MET ME 4 89 ILE H 3.370 . 4.940 4.592 3.747 5.360 0.420 16 0 "[ . 1 . 2]" 1
1201 4 10 THR H 4 11 PHE H 3.200 . 4.600 4.368 4.295 4.483 . 0 0 "[ . 1 . 2]" 1
1202 4 10 THR H 4 87 ALA H 2.800 . 3.800 3.086 2.595 3.811 0.011 7 0 "[ . 1 . 2]" 1
1203 4 11 PHE H 4 12 GLN H 3.080 . 4.360 3.818 3.556 4.004 . 0 0 "[ . 1 . 2]" 1
1204 4 11 PHE QD 4 12 GLN H 2.850 . 3.900 4.099 3.725 4.332 0.432 12 0 "[ . 1 . 2]" 1
1205 4 11 PHE QD 4 101 TYR QD 3.490 . 5.180 3.674 3.409 4.071 . 0 0 "[ . 1 . 2]" 1
1206 4 11 PHE QD 4 101 TYR QE 3.380 . 4.960 3.137 2.740 3.827 . 0 0 "[ . 1 . 2]" 1
1207 4 11 PHE QE 4 12 GLN H 3.510 . 5.220 5.253 4.742 5.604 0.384 12 0 "[ . 1 . 2]" 1
1208 4 11 PHE QE 4 84 PHE QD 3.220 . 4.640 3.298 3.059 3.736 . 0 0 "[ . 1 . 2]" 1
1209 4 11 PHE QE 4 101 TYR QD 3.070 . 4.340 2.991 2.504 3.565 . 0 0 "[ . 1 . 2]" 1
1210 4 11 PHE QE 4 101 TYR QE 3.400 . 5.000 3.172 2.597 3.552 . 0 0 "[ . 1 . 2]" 1
1211 4 11 PHE QE 4 102 CYS H 3.230 . 4.660 4.302 3.773 4.763 0.103 7 0 "[ . 1 . 2]" 1
1212 4 12 GLN H 4 13 ILE H 3.130 . 4.460 4.268 4.098 4.367 . 0 0 "[ . 1 . 2]" 1
1213 4 12 GLN H 4 85 SER H 2.600 . 3.400 3.296 2.902 3.776 0.376 11 0 "[ . 1 . 2]" 1
1214 4 13 ILE H 4 14 GLN H 3.320 . 4.830 4.478 4.352 4.544 . 0 0 "[ . 1 . 2]" 1
1215 4 14 GLN H 4 15 ARG H 2.080 . 2.360 2.260 2.107 2.409 0.049 5 0 "[ . 1 . 2]" 1
1216 4 14 GLN H 4 83 ILE H 2.950 . 4.100 4.475 4.195 4.740 0.640 7 5 "[ *-+ * . *2]" 1
1217 4 14 GLN H 4 84 PHE H 3.450 . 5.100 4.984 4.675 5.456 0.356 18 0 "[ . 1 . 2]" 1
1218 4 14 GLN H 4 84 PHE QD 3.200 . 4.600 4.475 3.814 5.251 0.651 12 1 "[ . 1 + . 2]" 1
1219 4 14 GLN H 4 85 SER H 3.480 . 5.160 4.163 3.564 4.813 . 0 0 "[ . 1 . 2]" 1
1220 4 15 ARG H 4 16 ILE H 3.130 . 4.460 4.090 3.814 4.273 . 0 0 "[ . 1 . 2]" 1
1221 4 15 ARG H 4 83 ILE H 2.470 . 3.140 3.304 3.046 3.509 0.369 12 0 "[ . 1 . 2]" 1
1222 4 16 ILE H 4 17 TYR H 3.220 . 4.640 4.444 4.344 4.520 . 0 0 "[ . 1 . 2]" 1
1223 4 17 TYR H 4 18 THR H 3.190 . 4.580 4.274 4.153 4.393 . 0 0 "[ . 1 . 2]" 1
1224 4 17 TYR H 4 81 GLY H 2.870 . 3.940 3.808 3.583 3.989 0.049 2 0 "[ . 1 . 2]" 1
1225 4 17 TYR QD 4 18 THR H 2.950 . 4.100 3.881 3.235 4.420 0.320 3 0 "[ . 1 . 2]" 1
1226 4 18 THR H 4 19 LYS H 3.260 . 4.720 4.357 4.275 4.461 . 0 0 "[ . 1 . 2]" 1
1227 4 19 LYS H 4 20 ASP H 2.020 . 2.240 2.212 2.012 2.355 0.115 11 0 "[ . 1 . 2]" 1
1228 4 19 LYS H 4 79 GLN H 2.840 . 3.880 4.797 4.620 5.070 1.190 15 20 [***-**********+*****] 1
1229 4 19 LYS H 4 81 GLY H 2.900 . 4.000 2.902 2.640 3.135 . 0 0 "[ . 1 . 2]" 1
1230 4 20 ASP H 4 21 ILE H 3.160 . 4.520 4.174 4.040 4.265 . 0 0 "[ . 1 . 2]" 1
1231 4 20 ASP H 4 78 VAL MG1 3.500 . 5.200 4.215 3.962 4.484 . 0 0 "[ . 1 . 2]" 1
1232 4 20 ASP H 4 79 GLN H 2.450 . 3.100 3.502 3.277 3.768 0.668 15 4 "[ . * 1 - + * 2]" 1
1233 4 21 ILE H 4 22 SER H 3.050 . 4.300 4.267 4.211 4.355 0.055 15 0 "[ . 1 . 2]" 1
1234 4 22 SER H 4 23 PHE H 3.190 . 4.580 4.217 4.104 4.282 . 0 0 "[ . 1 . 2]" 1
1235 4 22 SER H 4 77 GLU H 2.540 . 3.280 3.060 2.772 3.370 0.090 16 0 "[ . 1 . 2]" 1
1236 4 22 SER H 4 78 VAL MG2 3.390 . 4.980 3.137 2.845 3.379 . 0 0 "[ . 1 . 2]" 1
1237 4 23 PHE H 4 24 GLU H 2.970 . 4.140 4.111 3.940 4.354 0.214 6 0 "[ . 1 . 2]" 1
1238 4 23 PHE QD 4 24 GLU H 2.890 . 3.990 3.615 3.408 3.871 . 0 0 "[ . 1 . 2]" 1
1239 4 23 PHE QE 4 25 ALA MB 3.390 . 4.980 2.778 2.519 3.053 . 0 0 "[ . 1 . 2]" 1
1240 4 23 PHE QE 4 121 GLY H 3.400 . 5.000 4.081 3.734 4.247 . 0 0 "[ . 1 . 2]" 1
1241 4 24 GLU H 4 25 ALA H 3.250 . 4.700 4.218 3.980 4.382 . 0 0 "[ . 1 . 2]" 1
1242 4 24 GLU H 4 75 LEU H 2.580 . 3.360 2.961 2.556 3.272 . 0 0 "[ . 1 . 2]" 1
1243 4 24 GLU H 4 75 LEU MD1 3.410 . 5.020 4.890 4.426 5.572 0.552 10 1 "[ . + . 2]" 1
1244 4 25 ALA MB 4 28 ALA H 3.350 . 4.900 3.284 3.072 3.669 . 0 0 "[ . 1 . 2]" 1
1245 4 25 ALA MB 4 28 ALA MB 2.970 . 4.140 1.955 1.709 2.210 0.091 6 0 "[ . 1 . 2]" 1
1246 4 27 ASN H 4 28 ALA H 2.570 . 3.340 2.477 2.200 2.938 . 0 0 "[ . 1 . 2]" 1
1247 4 28 ALA H 4 30 HIS H 2.850 . 3.900 4.614 4.295 4.758 0.858 13 18 "[**********-*+ .*****]" 1
1248 4 28 ALA H 4 31 VAL H 3.250 . 4.700 4.779 4.690 4.904 0.204 19 0 "[ . 1 . 2]" 1
1249 4 28 ALA MB 4 30 HIS H 3.470 . 5.140 4.370 4.290 4.607 . 0 0 "[ . 1 . 2]" 1
1250 4 28 ALA MB 4 32 PHE QE 3.280 . 4.760 3.177 2.694 3.465 . 0 0 "[ . 1 . 2]" 1
1251 4 30 HIS H 4 31 VAL H 2.180 . 2.560 2.432 2.279 2.564 0.004 15 0 "[ . 1 . 2]" 1
1252 4 30 HIS H 4 31 VAL MG1 3.500 . 5.200 3.864 3.593 4.077 . 0 0 "[ . 1 . 2]" 1
1253 4 30 HIS H 4 32 PHE H 2.810 . 3.820 3.926 3.784 4.035 0.215 10 0 "[ . 1 . 2]" 1
1254 4 31 VAL H 4 32 PHE H 2.300 . 2.800 2.424 2.365 2.484 . 0 0 "[ . 1 . 2]" 1
1255 4 31 VAL H 4 33 GLN H 3.230 . 4.660 4.165 4.060 4.324 . 0 0 "[ . 1 . 2]" 1
1256 4 31 VAL MG1 4 32 PHE H 2.510 . 3.220 2.574 2.448 2.703 . 0 0 "[ . 1 . 2]" 1
1257 4 31 VAL MG1 4 32 PHE QD 3.260 . 4.720 3.060 2.843 3.556 . 0 0 "[ . 1 . 2]" 1
1258 4 31 VAL MG1 4 68 LEU MD1 3.440 . 5.080 2.793 2.052 3.224 . 0 0 "[ . 1 . 2]" 1
1259 4 31 VAL MG1 4 123 PHE QE 2.740 . 3.680 2.108 1.861 2.300 . 0 0 "[ . 1 . 2]" 1
1260 4 31 VAL MG2 4 32 PHE H 3.450 . 5.100 4.170 4.042 4.263 . 0 0 "[ . 1 . 2]" 1
1261 4 31 VAL MG2 4 34 LYS H 3.370 . 4.940 4.215 4.011 4.455 . 0 0 "[ . 1 . 2]" 1
1262 4 31 VAL MG2 4 68 LEU H 3.060 . 4.320 3.078 2.803 3.295 . 0 0 "[ . 1 . 2]" 1
1263 4 31 VAL MG2 4 68 LEU MD1 2.290 . 2.780 1.867 1.624 2.158 0.176 10 0 "[ . 1 . 2]" 1
1264 4 31 VAL MG2 4 73 ALA MB 2.880 . 3.960 2.836 2.563 3.154 . 0 0 "[ . 1 . 2]" 1
1265 4 32 PHE H 4 33 GLN H 2.360 . 2.920 2.656 2.578 2.794 . 0 0 "[ . 1 . 2]" 1
1266 4 32 PHE H 4 34 LYS H 3.110 . 4.420 4.255 4.141 4.426 0.006 2 0 "[ . 1 . 2]" 1
1267 4 32 PHE QD 4 33 GLN H 3.350 . 4.900 4.665 4.546 4.797 . 0 0 "[ . 1 . 2]" 1
1268 4 33 GLN H 4 34 LYS H 2.290 . 2.780 2.628 2.550 2.677 . 0 0 "[ . 1 . 2]" 1
1269 4 34 LYS H 4 35 ASP H 3.170 . 4.540 4.040 3.581 4.293 . 0 0 "[ . 1 . 2]" 1
1270 4 35 ASP H 4 36 TRP H 2.870 . 3.940 3.917 3.686 4.107 0.167 18 0 "[ . 1 . 2]" 1
1271 4 35 ASP H 4 36 TRP HE3 2.450 . 3.100 3.517 3.146 4.024 0.924 18 8 "[* * . * - . *+**]" 1
1272 4 35 ASP H 4 36 TRP HZ3 2.730 . 3.660 3.961 3.490 4.729 1.069 17 5 "[- * . 1 . +* *]" 1
1273 4 36 TRP H 4 37 GLN H 3.160 . 4.520 4.339 4.301 4.362 . 0 0 "[ . 1 . 2]" 1
1274 4 36 TRP H 4 68 LEU MD2 2.630 . 3.460 2.751 2.506 2.972 . 0 0 "[ . 1 . 2]" 1
1275 4 36 TRP HE1 4 39 GLU H 3.380 . 4.960 4.057 3.322 4.710 . 0 0 "[ . 1 . 2]" 1
1276 4 36 TRP HE1 4 68 LEU MD2 2.520 . 3.240 2.591 2.366 2.870 . 0 0 "[ . 1 . 2]" 1
1277 4 36 TRP HE1 4 69 GLY H 2.120 . 2.440 2.512 1.943 2.897 0.457 20 0 "[ . 1 . 2]" 1
1278 4 39 GLU H 4 40 VAL H 3.180 . 4.560 4.379 4.296 4.433 . 0 0 "[ . 1 . 2]" 1
1279 4 39 GLU H 4 67 SER H 2.420 . 3.040 3.211 2.903 3.881 0.841 7 1 "[ . + 1 . 2]" 1
1280 4 40 VAL H 4 41 LYS H 3.260 . 4.720 4.304 4.043 4.462 . 0 0 "[ . 1 . 2]" 1
1281 4 40 VAL MG1 4 41 LYS H 2.440 . 3.080 2.826 2.512 3.335 0.255 12 0 "[ . 1 . 2]" 1
1282 4 40 VAL MG1 4 64 VAL MG1 2.350 . 2.900 1.664 1.475 1.790 0.325 9 0 "[ . 1 . 2]" 1
1283 4 40 VAL MG1 4 64 VAL MG2 3.190 . 4.580 2.968 2.611 3.275 . 0 0 "[ . 1 . 2]" 1
1284 4 40 VAL MG1 4 65 THR H 2.890 . 3.980 3.500 2.812 4.101 0.121 18 0 "[ . 1 . 2]" 1
1285 4 40 VAL MG1 4 126 LEU MD1 2.870 . 3.940 2.111 1.737 2.893 0.063 10 0 "[ . 1 . 2]" 1
1286 4 40 VAL MG1 4 126 LEU MD2 2.920 . 4.040 2.243 1.736 2.515 0.064 14 0 "[ . 1 . 2]" 1
1287 4 40 VAL MG2 4 41 LYS H 3.340 . 4.880 4.093 3.839 4.300 . 0 0 "[ . 1 . 2]" 1
1288 4 40 VAL MG2 4 64 VAL MG1 3.170 . 4.540 2.924 2.451 3.411 . 0 0 "[ . 1 . 2]" 1
1289 4 40 VAL MG2 4 66 ALA MB 2.790 . 3.780 1.859 1.581 2.129 0.219 11 0 "[ . 1 . 2]" 1
1290 4 40 VAL MG2 4 74 PHE QE 3.160 . 4.520 3.489 3.098 3.829 . 0 0 "[ . 1 . 2]" 1
1291 4 40 VAL MG2 4 126 LEU MD1 2.960 . 4.120 1.871 1.633 2.125 0.167 20 0 "[ . 1 . 2]" 1
1292 4 40 VAL MG2 4 126 LEU MD2 2.860 . 3.920 2.333 1.755 2.783 0.045 19 0 "[ . 1 . 2]" 1
1293 4 41 LYS H 4 42 LEU H 3.200 . 4.600 4.301 4.175 4.500 . 0 0 "[ . 1 . 2]" 1
1294 4 41 LYS H 4 64 VAL MG1 3.260 . 4.720 3.892 3.355 4.418 . 0 0 "[ . 1 . 2]" 1
1295 4 41 LYS H 4 65 THR H 2.160 . 2.520 3.273 2.796 3.888 1.368 12 15 "[ ********* + **-**2]" 1
1296 4 41 LYS H 4 66 ALA H 3.490 . 5.180 4.695 4.394 5.083 . 0 0 "[ . 1 . 2]" 1
1297 4 42 LEU H 4 43 ASP H 3.270 . 4.740 4.452 4.307 4.546 . 0 0 "[ . 1 . 2]" 1
1298 4 42 LEU MD1 4 43 ASP H 2.610 . 3.420 2.081 1.954 2.303 . 0 0 "[ . 1 . 2]" 1
1299 4 42 LEU MD1 4 44 LEU QD 3.020 . 4.240 2.448 2.070 2.774 . 0 0 "[ . 1 . 2]" 1
1300 4 42 LEU MD1 4 62 VAL MG1 2.540 . 3.280 1.800 1.610 1.917 0.190 13 0 "[ . 1 . 2]" 1
1301 4 42 LEU MD1 4 63 THR H 2.990 . 4.180 2.942 2.730 3.102 . 0 0 "[ . 1 . 2]" 1
1302 4 42 LEU MD1 4 64 VAL MG2 2.940 . 4.080 2.307 1.884 2.652 . 0 0 "[ . 1 . 2]" 1
1303 4 42 LEU MD1 4 128 LEU QD 3.240 . 3.240 2.099 1.759 2.654 0.041 3 0 "[ . 1 . 2]" 1
1304 4 42 LEU MD2 4 44 LEU QD 3.530 . 5.250 2.282 2.009 2.770 . 0 0 "[ . 1 . 2]" 1
1305 4 42 LEU MD2 4 128 LEU QD 2.940 . 4.080 2.121 1.513 2.566 0.287 4 0 "[ . 1 . 2]" 1
1306 4 42 LEU MD2 4 129 ALA H 3.420 . 5.040 4.296 3.330 5.367 0.327 18 0 "[ . 1 . 2]" 1
1307 4 42 LEU MD2 4 131 VAL QG 3.390 . 4.980 3.322 2.349 4.124 . 0 0 "[ . 1 . 2]" 1
1308 4 43 ASP H 4 44 LEU H 3.020 . 4.240 4.192 3.970 4.414 0.174 14 0 "[ . 1 . 2]" 1
1309 4 43 ASP H 4 44 LEU QD 3.250 . 4.700 3.970 3.687 4.289 . 0 0 "[ . 1 . 2]" 1
1310 4 43 ASP H 4 62 VAL MG1 3.160 . 4.520 4.072 3.599 4.526 0.006 1 0 "[ . 1 . 2]" 1
1311 4 43 ASP H 4 63 THR H 2.230 . 2.660 3.128 2.801 3.534 0.874 8 7 "[* * . *+*1- .* 2]" 1
1312 4 44 LEU H 4 45 ASP H 3.270 . 4.740 4.354 4.182 4.505 . 0 0 "[ . 1 . 2]" 1
1313 4 44 LEU H 4 63 THR H 3.480 . 5.160 5.030 4.856 5.124 . 0 0 "[ . 1 . 2]" 1
1314 4 44 LEU QD 4 45 ASP H 3.230 . 4.660 3.333 3.120 3.679 . 0 0 "[ . 1 . 2]" 1
1315 4 44 LEU QD 4 60 LEU MD1 3.440 . 5.080 2.808 2.528 3.176 . 0 0 "[ . 1 . 2]" 1
1316 4 44 LEU QD 4 60 LEU MD2 3.350 . 4.300 2.155 1.906 2.362 . 0 0 "[ . 1 . 2]" 1
1317 4 44 LEU QD 4 62 VAL MG1 2.690 . 3.580 2.099 1.850 2.388 . 0 0 "[ . 1 . 2]" 1
1318 4 44 LEU QD 4 62 VAL MG2 2.560 . 3.320 1.875 1.732 2.066 0.068 1 0 "[ . 1 . 2]" 1
1319 4 44 LEU QD 4 63 THR H 2.930 . 4.060 3.093 2.814 3.325 . 0 0 "[ . 1 . 2]" 1
1320 4 44 LEU QD 4 131 VAL QG 2.570 . 3.340 2.421 1.754 3.268 0.046 7 0 "[ . 1 . 2]" 1
1321 4 44 LEU QD 4 133 PHE QD 3.360 . 4.920 3.635 3.212 3.942 . 0 0 "[ . 1 . 2]" 1
1322 4 44 LEU QD 4 133 PHE QE 2.610 . 3.420 2.519 2.058 2.992 . 0 0 "[ . 1 . 2]" 1
1323 4 45 ASP H 4 46 THR H 3.170 . 4.540 4.301 4.149 4.400 . 0 0 "[ . 1 . 2]" 1
1324 4 45 ASP H 4 60 LEU MD2 2.450 . 3.100 2.876 2.398 3.221 0.121 7 0 "[ . 1 . 2]" 1
1325 4 45 ASP H 4 61 ARG H 2.470 . 3.140 3.428 3.018 3.853 0.713 3 4 "[ -+ . ** 1 . 2]" 1
1326 4 46 THR H 4 47 ALA H 3.280 . 4.760 4.448 4.291 4.519 . 0 0 "[ . 1 . 2]" 1
1327 4 47 ALA H 4 48 SER H 3.150 . 4.500 4.298 4.192 4.358 . 0 0 "[ . 1 . 2]" 1
1328 4 47 ALA H 4 58 VAL MG1 3.190 . 4.580 3.672 2.809 4.261 . 0 0 "[ . 1 . 2]" 1
1329 4 47 ALA H 4 59 VAL H 2.760 . 3.720 3.275 2.825 3.720 . 0 0 "[ . 1 . 2]" 1
1330 4 47 ALA MB 4 48 SER H 2.750 . 3.700 2.501 2.092 2.897 . 0 0 "[ . 1 . 2]" 1
1331 4 47 ALA MB 4 59 VAL H 3.050 . 4.300 3.629 2.765 4.419 0.119 4 0 "[ . 1 . 2]" 1
1332 4 48 SER H 4 49 SER H 3.170 . 4.540 4.320 4.248 4.426 . 0 0 "[ . 1 . 2]" 1
1333 4 49 SER H 4 50 GLN H 3.200 . 4.600 4.169 3.894 4.364 . 0 0 "[ . 1 . 2]" 1
1334 4 49 SER H 4 57 GLU H 2.830 . 3.860 3.648 3.211 4.153 0.293 16 0 "[ . 1 . 2]" 1
1335 4 50 GLN H 4 51 LEU H 3.260 . 4.720 4.003 2.410 4.598 . 0 0 "[ . 1 . 2]" 1
1336 4 51 LEU H 4 52 ALA H 2.840 . 3.880 3.699 2.306 4.641 0.761 5 2 "[ + 1 . - 2]" 1
1337 4 52 ALA H 4 53 ASP H 2.430 . 3.060 4.055 3.229 4.707 1.647 13 16 "[*** ********+ * *-*2]" 1
1338 4 52 ALA MB 4 53 ASP H 2.250 . 2.700 2.783 1.831 3.700 1.000 18 10 "[ **. * * * *. -+**]" 1
1339 4 52 ALA MB 4 54 ASP H 2.780 . 3.760 3.961 2.799 4.720 0.960 12 7 "[ *-. * * + . * *]" 1
1340 4 52 ALA MB 4 55 VAL H 3.340 . 4.880 4.952 2.760 5.971 1.091 7 11 "[ **.-+ * ** . ****]" 1
1341 4 52 ALA MB 4 56 TYR QE 2.620 . 3.440 3.098 2.232 4.242 0.802 6 1 "[ .+ 1 . 2]" 1
1342 4 53 ASP H 4 54 ASP H 2.380 . 2.960 2.682 1.912 3.877 0.917 14 3 "[ . 1* +- 2]" 1
1343 4 53 ASP H 4 55 VAL H 3.090 . 4.380 3.494 2.581 4.820 0.440 13 0 "[ . 1 . 2]" 1
1344 4 54 ASP H 4 55 VAL H 2.330 . 2.860 2.795 2.619 3.067 0.207 18 0 "[ . 1 . 2]" 1
1345 4 54 ASP H 4 56 TYR QE 3.130 . 4.460 2.921 1.866 3.591 . 0 0 "[ . 1 . 2]" 1
1346 4 55 VAL H 4 56 TYR H 2.860 . 3.920 4.024 3.732 4.288 0.368 1 0 "[ . 1 . 2]" 1
1347 4 55 VAL H 4 56 TYR QD 3.150 . 4.500 3.872 2.629 4.400 . 0 0 "[ . 1 . 2]" 1
1348 4 55 VAL H 4 56 TYR QE 3.110 . 4.410 3.741 3.197 4.107 . 0 0 "[ . 1 . 2]" 1
1349 4 55 VAL H 4 86 ILE H 3.480 . 5.160 5.318 4.845 5.922 0.762 12 2 "[ . - 1 + . 2]" 1
1350 4 55 VAL QG 4 56 TYR H 3.050 . 4.300 3.277 2.849 3.659 . 0 0 "[ . 1 . 2]" 1
1351 4 55 VAL QG 4 84 PHE H 3.370 . 4.940 4.652 3.584 5.267 0.327 12 0 "[ . 1 . 2]" 1
1352 4 56 TYR H 4 57 GLU H 3.270 . 4.740 4.305 4.167 4.451 . 0 0 "[ . 1 . 2]" 1
1353 4 56 TYR H 4 84 PHE H 2.750 . 3.700 3.416 2.883 4.000 0.300 18 0 "[ . 1 . 2]" 1
1354 4 56 TYR H 4 86 ILE H 3.030 . 4.260 4.501 4.083 5.227 0.967 18 4 "[ . - * . + *]" 1
1355 4 56 TYR QD 4 57 GLU H 3.280 . 4.760 4.416 3.962 4.721 . 0 0 "[ . 1 . 2]" 1
1356 4 56 TYR QD 4 98 LEU QD 2.430 . 3.060 2.628 1.722 3.452 0.392 18 0 "[ . 1 . 2]" 1
1357 4 56 TYR QE 4 98 LEU QD 3.160 . 4.520 3.293 2.299 3.884 . 0 0 "[ . 1 . 2]" 1
1358 4 57 GLU H 4 58 VAL H 3.140 . 4.480 4.349 4.223 4.546 0.066 12 0 "[ . 1 . 2]" 1
1359 4 58 VAL H 4 59 VAL H 3.190 . 4.580 4.388 4.214 4.491 . 0 0 "[ . 1 . 2]" 1
1360 4 58 VAL H 4 82 GLY H 2.750 . 3.700 3.129 2.782 3.354 . 0 0 "[ . 1 . 2]" 1
1361 4 58 VAL H 4 84 PHE H 3.210 . 4.620 4.037 3.634 4.664 0.044 17 0 "[ . 1 . 2]" 1
1362 4 58 VAL H 4 84 PHE QE 3.500 . 5.200 3.395 2.829 3.988 . 0 0 "[ . 1 . 2]" 1
1363 4 58 VAL MG1 4 59 VAL H 2.760 . 3.720 2.518 2.313 3.030 . 0 0 "[ . 1 . 2]" 1
1364 4 58 VAL MG2 4 59 VAL H 3.510 . 5.220 4.017 3.885 4.225 . 0 0 "[ . 1 . 2]" 1
1365 4 58 VAL MG2 4 98 LEU QD 3.180 . 4.560 2.494 1.837 3.433 . 0 0 "[ . 1 . 2]" 1
1366 4 59 VAL H 4 60 LEU H 3.150 . 4.500 4.308 4.101 4.472 . 0 0 "[ . 1 . 2]" 1
1367 4 59 VAL MG1 4 60 LEU H 2.820 . 3.840 2.569 2.158 2.985 . 0 0 "[ . 1 . 2]" 1
1368 4 59 VAL MG1 4 80 GLN H 3.500 . 5.200 3.562 3.422 3.796 . 0 0 "[ . 1 . 2]" 1
1369 4 59 VAL MG1 4 81 GLY H 3.310 . 4.820 3.560 3.314 4.284 . 0 0 "[ . 1 . 2]" 1
1370 4 59 VAL MG2 4 82 GLY H 3.290 . 4.780 3.575 3.270 4.221 . 0 0 "[ . 1 . 2]" 1
1371 4 60 LEU H 4 61 ARG H 3.240 . 4.680 4.205 3.951 4.427 . 0 0 "[ . 1 . 2]" 1
1372 4 60 LEU H 4 80 GLN H 2.960 . 4.120 3.391 3.156 3.750 . 0 0 "[ . 1 . 2]" 1
1373 4 60 LEU H 4 81 GLY H 3.270 . 4.740 4.613 4.512 4.846 0.106 17 0 "[ . 1 . 2]" 1
1374 4 60 LEU H 4 82 GLY H 3.430 . 5.060 5.319 4.928 5.824 0.764 14 3 "[* - 1 +. 2]" 1
1375 4 60 LEU MD1 4 62 VAL MG2 2.760 . 3.720 2.113 1.998 2.324 . 0 0 "[ . 1 . 2]" 1
1376 4 60 LEU MD1 4 110 ALA MB 3.070 . 4.340 2.531 2.325 2.740 . 0 0 "[ . 1 . 2]" 1
1377 4 60 LEU MD1 4 133 PHE QE 2.770 . 3.740 2.552 1.973 2.913 . 0 0 "[ . 1 . 2]" 1
1378 4 60 LEU MD2 4 61 ARG H 2.340 . 2.880 2.366 2.167 2.822 . 0 0 "[ . 1 . 2]" 1
1379 4 60 LEU MD2 4 62 VAL H 3.360 . 4.920 3.484 3.091 3.759 . 0 0 "[ . 1 . 2]" 1
1380 4 60 LEU MD2 4 62 VAL MG2 2.930 . 4.060 2.015 1.797 2.256 0.003 19 0 "[ . 1 . 2]" 1
1381 4 60 LEU MD2 4 133 PHE QE 3.220 . 4.640 2.185 1.860 2.594 . 0 0 "[ . 1 . 2]" 1
1382 4 61 ARG H 4 62 VAL H 3.040 . 4.280 4.102 3.972 4.280 . 0 0 "[ . 1 . 2]" 1
1383 4 62 VAL H 4 63 THR H 3.290 . 4.780 4.380 4.230 4.544 . 0 0 "[ . 1 . 2]" 1
1384 4 62 VAL H 4 78 VAL H 2.950 . 4.100 3.251 3.029 3.471 . 0 0 "[ . 1 . 2]" 1
1385 4 62 VAL H 4 80 GLN H 2.930 . 4.060 3.905 3.653 4.077 0.017 15 0 "[ . 1 . 2]" 1
1386 4 62 VAL H 4 110 ALA MB 3.510 . 5.220 3.948 3.469 4.401 . 0 0 "[ . 1 . 2]" 1
1387 4 62 VAL MG1 4 63 THR H 2.410 . 3.020 2.697 2.154 2.932 . 0 0 "[ . 1 . 2]" 1
1388 4 62 VAL MG1 4 64 VAL MG2 2.970 . 4.140 2.733 2.344 3.031 . 0 0 "[ . 1 . 2]" 1
1389 4 62 VAL MG1 4 128 LEU QD 2.720 . 3.640 2.734 2.017 3.830 0.190 18 0 "[ . 1 . 2]" 1
1390 4 62 VAL MG2 4 63 THR H 3.390 . 4.980 4.085 3.937 4.192 . 0 0 "[ . 1 . 2]" 1
1391 4 62 VAL MG2 4 80 GLN H 3.370 . 4.940 4.147 3.622 4.454 . 0 0 "[ . 1 . 2]" 1
1392 4 62 VAL MG2 4 110 ALA MB 2.570 . 3.340 1.879 1.689 2.055 0.111 1 0 "[ . 1 . 2]" 1
1393 4 63 THR H 4 64 VAL H 3.190 . 4.580 4.293 4.165 4.396 . 0 0 "[ . 1 . 2]" 1
1394 4 63 THR H 4 64 VAL MG2 3.380 . 4.960 4.147 3.781 4.405 . 0 0 "[ . 1 . 2]" 1
1395 4 64 VAL H 4 65 THR H 3.040 . 4.280 4.230 3.997 4.374 0.094 1 0 "[ . 1 . 2]" 1
1396 4 64 VAL H 4 76 CYS H 2.840 . 3.880 3.088 2.567 3.407 . 0 0 "[ . 1 . 2]" 1
1397 4 64 VAL MG1 4 65 THR H 2.850 . 3.900 2.853 2.534 3.330 . 0 0 "[ . 1 . 2]" 1
1398 4 64 VAL MG1 4 66 ALA H 3.320 . 4.830 2.915 2.622 3.315 . 0 0 "[ . 1 . 2]" 1
1399 4 64 VAL MG1 4 74 PHE QE 3.410 . 5.020 2.068 1.875 2.491 . 0 0 "[ . 1 . 2]" 1
1400 4 64 VAL MG1 4 76 CYS H 3.400 . 5.000 3.807 3.012 4.442 . 0 0 "[ . 1 . 2]" 1
1401 4 64 VAL MG1 4 126 LEU MD1 3.330 . 4.860 3.501 3.221 4.048 . 0 0 "[ . 1 . 2]" 1
1402 4 64 VAL MG1 4 126 LEU MD2 2.340 . 2.880 2.019 1.945 2.240 . 0 0 "[ . 1 . 2]" 1
1403 4 64 VAL MG2 4 65 THR H 3.480 . 5.160 4.104 3.968 4.270 . 0 0 "[ . 1 . 2]" 1
1404 4 64 VAL MG2 4 126 LEU MD2 3.420 . 5.040 2.272 2.006 2.950 . 0 0 "[ . 1 . 2]" 1
1405 4 64 VAL MG2 4 128 LEU QD 2.940 . 4.080 2.275 1.838 3.345 . 0 0 "[ . 1 . 2]" 1
1406 4 65 THR H 4 66 ALA H 3.080 . 4.360 3.924 3.685 4.269 . 0 0 "[ . 1 . 2]" 1
1407 4 66 ALA H 4 67 SER H 3.290 . 4.780 4.525 4.417 4.577 . 0 0 "[ . 1 . 2]" 1
1408 4 66 ALA H 4 73 ALA H 3.400 . 5.000 4.729 4.548 4.890 . 0 0 "[ . 1 . 2]" 1
1409 4 66 ALA H 4 74 PHE H 2.680 . 3.570 3.599 3.410 3.789 0.219 8 0 "[ . 1 . 2]" 1
1410 4 66 ALA H 4 74 PHE QD 3.240 . 4.680 4.372 4.079 4.847 0.167 8 0 "[ . 1 . 2]" 1
1411 4 66 ALA H 4 74 PHE QE 3.340 . 4.880 4.798 4.458 5.208 0.328 8 0 "[ . 1 . 2]" 1
1412 4 66 ALA H 4 75 LEU MD2 3.250 . 4.700 2.892 2.516 3.198 . 0 0 "[ . 1 . 2]" 1
1413 4 66 ALA H 4 76 CYS H 3.190 . 4.580 4.795 4.345 5.098 0.518 18 1 "[ . 1 . + 2]" 1
1414 4 66 ALA MB 4 67 SER H 2.750 . 3.700 2.794 2.619 2.991 . 0 0 "[ . 1 . 2]" 1
1415 4 66 ALA MB 4 73 ALA H 3.370 . 4.940 3.960 3.706 4.291 . 0 0 "[ . 1 . 2]" 1
1416 4 66 ALA MB 4 73 ALA MB 2.800 . 3.800 2.523 2.194 2.800 . 0 0 "[ . 1 . 2]" 1
1417 4 66 ALA MB 4 74 PHE H 2.770 . 3.740 2.598 2.130 2.975 . 0 0 "[ . 1 . 2]" 1
1418 4 66 ALA MB 4 74 PHE QD 2.780 . 3.760 3.031 2.941 3.161 . 0 0 "[ . 1 . 2]" 1
1419 4 66 ALA MB 4 74 PHE QE 2.420 . 3.040 2.783 2.696 2.913 . 0 0 "[ . 1 . 2]" 1
1420 4 67 SER H 4 68 LEU H 3.060 . 4.320 4.214 4.095 4.326 0.006 12 0 "[ . 1 . 2]" 1
1421 4 67 SER H 4 73 ALA H 3.110 . 4.420 4.050 3.897 4.216 . 0 0 "[ . 1 . 2]" 1
1422 4 67 SER H 4 73 ALA MB 3.040 . 4.280 3.346 3.139 3.541 . 0 0 "[ . 1 . 2]" 1
1423 4 68 LEU H 4 69 GLY H 3.220 . 4.640 4.213 4.110 4.300 . 0 0 "[ . 1 . 2]" 1
1424 4 68 LEU H 4 71 GLU H 2.940 . 4.080 4.291 3.635 4.533 0.453 2 0 "[ . 1 . 2]" 1
1425 4 68 LEU H 4 73 ALA H 2.670 . 3.540 3.075 2.944 3.239 . 0 0 "[ . 1 . 2]" 1
1426 4 68 LEU H 4 73 ALA MB 2.710 . 3.620 2.329 2.038 3.077 . 0 0 "[ . 1 . 2]" 1
1427 4 68 LEU MD1 4 73 ALA MB 2.510 . 3.220 2.324 1.949 2.722 . 0 0 "[ . 1 . 2]" 1
1428 4 69 GLY H 4 70 GLU H 3.230 . 4.660 4.538 4.433 4.625 . 0 0 "[ . 1 . 2]" 1
1429 4 69 GLY H 4 71 GLU H 3.400 . 5.000 4.700 4.487 4.882 . 0 0 "[ . 1 . 2]" 1
1430 4 70 GLU H 4 71 GLU H 2.370 . 2.940 2.484 2.217 2.757 . 0 0 "[ . 1 . 2]" 1
1431 4 71 GLU H 4 72 THR H 3.200 . 4.600 4.452 4.355 4.516 . 0 0 "[ . 1 . 2]" 1
1432 4 72 THR H 4 73 ALA H 3.280 . 4.760 4.543 4.445 4.622 . 0 0 "[ . 1 . 2]" 1
1433 4 73 ALA H 4 74 PHE H 2.190 . 2.580 2.559 2.300 2.749 0.169 11 0 "[ . 1 . 2]" 1
1434 4 73 ALA MB 4 74 PHE H 2.520 . 3.240 2.028 1.944 2.184 . 0 0 "[ . 1 . 2]" 1
1435 4 73 ALA MB 4 74 PHE QD 3.300 . 4.800 2.492 2.402 2.596 . 0 0 "[ . 1 . 2]" 1
1436 4 73 ALA MB 4 123 PHE QE 3.490 . 5.180 2.587 2.382 2.848 . 0 0 "[ . 1 . 2]" 1
1437 4 74 PHE H 4 75 LEU H 3.080 . 4.360 4.289 4.206 4.350 . 0 0 "[ . 1 . 2]" 1
1438 4 74 PHE H 4 75 LEU MD2 3.080 . 4.360 4.115 3.830 4.291 . 0 0 "[ . 1 . 2]" 1
1439 4 74 PHE QD 4 75 LEU H 3.240 . 4.680 3.688 3.037 4.109 . 0 0 "[ . 1 . 2]" 1
1440 4 74 PHE QD 4 123 PHE QD 3.170 . 4.540 3.009 2.844 3.169 . 0 0 "[ . 1 . 2]" 1
1441 4 74 PHE QD 4 123 PHE QE 3.190 . 4.580 3.459 3.309 3.765 . 0 0 "[ . 1 . 2]" 1
1442 4 74 PHE QE 4 118 VAL MG1 3.350 . 4.900 2.917 2.790 3.036 . 0 0 "[ . 1 . 2]" 1
1443 4 74 PHE QE 4 118 VAL MG2 3.150 . 4.500 2.374 2.214 2.532 . 0 0 "[ . 1 . 2]" 1
1444 4 74 PHE QE 4 123 PHE QD 3.500 . 5.200 3.682 3.368 3.965 . 0 0 "[ . 1 . 2]" 1
1445 4 74 PHE QE 4 126 LEU MD2 2.770 . 3.740 2.234 1.792 2.707 0.008 16 0 "[ . 1 . 2]" 1
1446 4 75 LEU H 4 76 CYS H 3.250 . 4.700 4.396 4.116 4.555 . 0 0 "[ . 1 . 2]" 1
1447 4 76 CYS H 4 77 GLU H 3.160 . 4.520 4.207 3.845 4.434 . 0 0 "[ . 1 . 2]" 1
1448 4 77 GLU H 4 78 VAL H 3.060 . 4.320 4.153 4.036 4.330 0.010 9 0 "[ . 1 . 2]" 1
1449 4 77 GLU H 4 78 VAL MG2 3.050 . 4.300 3.403 3.058 3.998 . 0 0 "[ . 1 . 2]" 1
1450 4 77 GLU H 4 117 MET ME 3.440 . 5.080 3.596 3.016 4.105 . 0 0 "[ . 1 . 2]" 1
1451 4 78 VAL H 4 79 GLN H 3.220 . 4.640 4.106 3.984 4.247 . 0 0 "[ . 1 . 2]" 1
1452 4 78 VAL MG1 4 79 GLN H 2.320 . 2.840 3.085 2.969 3.171 0.331 12 0 "[ . 1 . 2]" 1
1453 4 78 VAL MG1 4 80 GLN H 3.290 . 4.780 2.933 2.687 3.104 . 0 0 "[ . 1 . 2]" 1
1454 4 78 VAL MG2 4 79 GLN H 3.380 . 4.960 4.251 4.189 4.333 . 0 0 "[ . 1 . 2]" 1
1455 4 78 VAL MG2 4 114 ILE H 3.140 . 4.480 3.109 2.841 3.273 . 0 0 "[ . 1 . 2]" 1
1456 4 78 VAL MG2 4 117 MET ME 2.650 . 3.500 2.165 2.002 2.361 . 0 0 "[ . 1 . 2]" 1
1457 4 79 GLN H 4 80 GLN H 2.940 . 4.080 3.954 3.891 4.022 . 0 0 "[ . 1 . 2]" 1
1458 4 80 GLN H 4 81 GLY H 3.160 . 4.520 4.248 4.129 4.379 . 0 0 "[ . 1 . 2]" 1
1459 4 80 GLN H 4 110 ALA MB 2.930 . 4.060 3.854 3.517 4.239 0.179 19 0 "[ . 1 . 2]" 1
1460 4 81 GLY H 4 82 GLY H 3.270 . 4.740 4.559 4.519 4.597 . 0 0 "[ . 1 . 2]" 1
1461 4 82 GLY H 4 83 ILE H 3.190 . 4.580 4.251 4.165 4.359 . 0 0 "[ . 1 . 2]" 1
1462 4 82 GLY H 4 84 PHE QE 3.300 . 4.800 3.684 3.303 3.994 . 0 0 "[ . 1 . 2]" 1
1463 4 83 ILE H 4 84 PHE H 3.280 . 4.760 4.412 4.235 4.541 . 0 0 "[ . 1 . 2]" 1
1464 4 84 PHE H 4 85 SER H 3.230 . 4.660 4.380 4.206 4.487 . 0 0 "[ . 1 . 2]" 1
1465 4 84 PHE QD 4 85 SER H 3.290 . 4.780 4.130 3.762 4.458 . 0 0 "[ . 1 . 2]" 1
1466 4 85 SER H 4 86 ILE H 3.040 . 4.280 4.224 4.036 4.506 0.226 20 0 "[ . 1 . 2]" 1
1467 4 86 ILE H 4 87 ALA H 3.210 . 4.620 4.374 4.158 4.494 . 0 0 "[ . 1 . 2]" 1
1468 4 87 ALA H 4 88 GLY H 3.020 . 4.240 4.367 4.058 4.446 0.206 18 0 "[ . 1 . 2]" 1
1469 4 87 ALA H 4 89 ILE H 3.370 . 4.940 4.838 4.141 5.218 0.278 18 0 "[ . 1 . 2]" 1
1470 4 87 ALA MB 4 88 GLY H 2.900 . 4.000 2.410 2.181 3.254 . 0 0 "[ . 1 . 2]" 1
1471 4 88 GLY H 4 89 ILE H 1.940 . 2.080 2.458 2.130 2.873 0.793 17 5 "[ .* 1* *. + -]" 1
1472 4 89 ILE H 4 90 GLU H 3.290 . 4.780 4.450 4.365 4.556 . 0 0 "[ . 1 . 2]" 1
1473 4 90 GLU H 4 91 GLY H 3.240 . 4.680 4.398 4.332 4.450 . 0 0 "[ . 1 . 2]" 1
1474 4 90 GLU H 4 94 MET H 3.090 . 4.380 4.309 3.909 4.739 0.359 5 0 "[ . 1 . 2]" 1
1475 4 91 GLY H 4 92 THR H 3.320 . 4.840 4.605 4.503 4.649 . 0 0 "[ . 1 . 2]" 1
1476 4 92 THR H 4 93 GLN H 2.080 . 2.360 2.338 2.196 2.612 0.252 1 0 "[ . 1 . 2]" 1
1477 4 92 THR H 4 94 MET H 3.130 . 4.460 4.137 3.674 4.562 0.102 12 0 "[ . 1 . 2]" 1
1478 4 93 GLN H 4 94 MET H 2.370 . 2.940 2.695 2.581 2.785 . 0 0 "[ . 1 . 2]" 1
1479 4 93 GLN H 4 95 ALA H 3.420 . 5.040 4.760 4.528 5.208 0.168 1 0 "[ . 1 . 2]" 1
1480 4 93 GLN H 4 96 HIS H 3.340 . 4.880 4.957 4.584 5.753 0.873 13 2 "[ - 1 + . 2]" 1
1481 4 94 MET H 4 95 ALA H 2.460 . 3.120 2.867 2.561 3.131 0.011 1 0 "[ . 1 . 2]" 1
1482 4 94 MET H 4 96 HIS H 2.970 . 4.140 3.863 3.586 4.297 0.157 13 0 "[ . 1 . 2]" 1
1483 4 94 MET H 4 97 CYS H 3.390 . 4.980 5.090 4.745 5.747 0.767 5 3 "[ * + 1 - . 2]" 1
1484 4 94 MET ME 4 95 ALA H 3.430 . 5.060 3.667 2.948 5.071 0.011 1 0 "[ . 1 . 2]" 1
1485 4 95 ALA H 4 96 HIS H 2.120 . 2.440 2.396 2.296 2.515 0.075 5 0 "[ . 1 . 2]" 1
1486 4 95 ALA H 4 97 CYS H 3.090 . 4.380 4.222 3.868 4.609 0.229 3 0 "[ . 1 . 2]" 1
1487 4 95 ALA H 4 98 LEU H 3.510 . 5.220 5.303 4.658 5.973 0.753 1 3 "[+ - . 1 . *]" 1
1488 4 95 ALA MB 4 96 HIS H 2.720 . 3.640 3.040 2.798 3.134 . 0 0 "[ . 1 . 2]" 1
1489 4 96 HIS H 4 97 CYS H 2.360 . 2.920 2.597 2.459 2.772 . 0 0 "[ . 1 . 2]" 1
1490 4 96 HIS H 4 98 LEU H 3.050 . 4.300 4.230 3.687 4.681 0.381 1 0 "[ . 1 . 2]" 1
1491 4 96 HIS H 4 99 GLY H 3.480 . 5.160 4.820 4.510 5.349 0.189 1 0 "[ . 1 . 2]" 1
1492 4 97 CYS H 4 98 LEU H 2.290 . 2.780 2.684 2.490 2.893 0.113 1 0 "[ . 1 . 2]" 1
1493 4 97 CYS H 4 99 GLY H 3.040 . 4.280 4.051 3.715 4.364 0.084 2 0 "[ . 1 . 2]" 1
1494 4 97 CYS H 4 100 ALA H 3.520 . 5.240 4.962 4.764 5.333 0.093 1 0 "[ . 1 . 2]" 1
1495 4 97 CYS H 4 101 TYR H 3.420 . 5.040 5.059 4.732 5.302 0.262 1 0 "[ . 1 . 2]" 1
1496 4 98 LEU H 4 99 GLY H 2.220 . 2.640 2.498 2.252 2.685 0.045 10 0 "[ . 1 . 2]" 1
1497 4 98 LEU H 4 100 ALA H 2.980 . 4.160 4.071 3.789 4.402 0.242 1 0 "[ . 1 . 2]" 1
1498 4 98 LEU H 4 101 TYR H 3.330 . 4.860 4.798 4.393 5.075 0.215 1 0 "[ . 1 . 2]" 1
1499 4 98 LEU H 4 102 CYS H 3.410 . 5.020 4.905 4.594 5.079 0.059 10 0 "[ . 1 . 2]" 1
1500 4 98 LEU QD 4 99 GLY H 2.970 . 4.140 3.404 2.467 4.303 0.163 17 0 "[ . 1 . 2]" 1
1501 4 99 GLY H 4 100 ALA H 2.170 . 2.540 2.499 2.348 2.616 0.076 17 0 "[ . 1 . 2]" 1
1502 4 99 GLY H 4 100 ALA MB 3.360 . 4.920 4.153 3.913 4.400 . 0 0 "[ . 1 . 2]" 1
1503 4 99 GLY H 4 101 TYR H 3.100 . 4.400 4.261 3.919 4.589 0.189 19 0 "[ . 1 . 2]" 1
1504 4 99 GLY H 4 102 CYS H 3.330 . 4.860 4.763 4.427 5.078 0.218 10 0 "[ . 1 . 2]" 1
1505 4 100 ALA H 4 101 TYR H 2.100 . 2.400 2.241 2.042 2.464 0.064 17 0 "[ . 1 . 2]" 1
1506 4 100 ALA H 4 102 CYS H 2.480 . 3.160 3.381 3.126 3.627 0.467 10 0 "[ . 1 . 2]" 1
1507 4 100 ALA MB 4 101 TYR H 2.450 . 3.100 2.360 2.118 2.537 . 0 0 "[ . 1 . 2]" 1
1508 4 100 ALA MB 4 134 ASP H 2.770 . 3.740 2.986 2.651 3.690 . 0 0 "[ . 1 . 2]" 1
1509 4 101 TYR H 4 102 CYS H 2.290 . 2.780 2.646 2.572 2.803 0.023 17 0 "[ . 1 . 2]" 1
1510 4 101 TYR QD 4 102 CYS H 3.120 . 4.440 3.912 3.492 4.365 . 0 0 "[ . 1 . 2]" 1
1511 4 109 TYR H 4 110 ALA H 2.100 . 2.400 2.491 2.408 2.567 0.167 20 0 "[ . 1 . 2]" 1
1512 4 109 TYR H 4 110 ALA MB 3.500 . 5.200 4.170 4.055 4.298 . 0 0 "[ . 1 . 2]" 1
1513 4 109 TYR H 4 111 ARG H 3.120 . 4.440 4.190 4.007 4.481 0.041 14 0 "[ . 1 . 2]" 1
1514 4 109 TYR H 4 112 GLU H 3.310 . 4.820 4.555 4.340 4.765 . 0 0 "[ . 1 . 2]" 1
1515 4 109 TYR QD 4 110 ALA H 3.460 . 5.120 4.236 4.036 4.495 . 0 0 "[ . 1 . 2]" 1
1516 4 110 ALA H 4 111 ARG H 2.250 . 2.700 2.608 2.451 2.750 0.050 1 0 "[ . 1 . 2]" 1
1517 4 110 ALA H 4 112 GLU H 2.830 . 3.860 3.858 3.697 4.133 0.273 20 0 "[ . 1 . 2]" 1
1518 4 110 ALA H 4 113 CYS H 3.510 . 5.220 4.867 4.729 5.004 . 0 0 "[ . 1 . 2]" 1
1519 4 110 ALA MB 4 111 ARG H 2.510 . 3.220 2.369 2.166 2.576 . 0 0 "[ . 1 . 2]" 1
1520 4 111 ARG H 4 112 GLU H 2.290 . 2.780 2.653 2.496 2.801 0.021 9 0 "[ . 1 . 2]" 1
1521 4 111 ARG H 4 113 CYS H 3.140 . 4.480 4.375 4.148 4.725 0.245 9 0 "[ . 1 . 2]" 1
1522 4 111 ARG H 4 128 LEU QD 3.490 . 5.180 4.418 3.565 6.435 1.255 18 3 "[ -. * 1 . + 2]" 1
1523 4 112 GLU H 4 113 CYS H 2.330 . 2.860 2.807 2.667 2.872 0.012 11 0 "[ . 1 . 2]" 1
1524 4 112 GLU H 4 114 ILE H 3.170 . 4.540 4.289 4.107 4.395 . 0 0 "[ . 1 . 2]" 1
1525 4 113 CYS H 4 114 ILE H 2.240 . 2.680 2.755 2.629 2.823 0.143 4 0 "[ . 1 . 2]" 1
1526 4 113 CYS H 4 115 THR H 3.270 . 4.740 4.433 4.148 4.688 . 0 0 "[ . 1 . 2]" 1
1527 4 113 CYS H 4 116 SER H 3.450 . 5.100 4.968 4.878 5.106 0.006 5 0 "[ . 1 . 2]" 1
1528 4 114 ILE H 4 115 THR H 2.480 . 3.160 2.853 2.731 3.027 . 0 0 "[ . 1 . 2]" 1
1529 4 114 ILE H 4 116 SER H 3.010 . 4.220 4.272 4.185 4.441 0.221 16 0 "[ . 1 . 2]" 1
1530 4 114 ILE H 4 117 MET ME 3.370 . 4.940 3.529 3.252 3.600 . 0 0 "[ . 1 . 2]" 1
1531 4 115 THR H 4 116 SER H 2.380 . 2.960 2.783 2.634 3.017 0.057 17 0 "[ . 1 . 2]" 1
1532 4 115 THR H 4 117 MET H 3.450 . 5.100 4.286 4.111 4.522 . 0 0 "[ . 1 . 2]" 1
1533 4 115 THR H 4 118 VAL H 3.480 . 5.160 4.770 4.717 4.889 . 0 0 "[ . 1 . 2]" 1
1534 4 115 THR H 4 118 VAL MG2 3.500 . 5.200 4.051 3.841 4.261 . 0 0 "[ . 1 . 2]" 1
1535 4 116 SER H 4 117 MET H 2.420 . 3.040 2.690 2.608 2.806 . 0 0 "[ . 1 . 2]" 1
1536 4 116 SER H 4 118 VAL H 3.010 . 4.220 4.032 3.943 4.108 . 0 0 "[ . 1 . 2]" 1
1537 4 116 SER H 4 119 SER H 3.530 . 5.250 4.859 4.782 5.043 . 0 0 "[ . 1 . 2]" 1
1538 4 117 MET H 4 118 VAL H 2.350 . 2.900 2.586 2.388 2.660 . 0 0 "[ . 1 . 2]" 1
1539 4 117 MET H 4 119 SER H 3.120 . 4.440 4.223 4.076 4.341 . 0 0 "[ . 1 . 2]" 1
1540 4 118 VAL H 4 119 SER H 2.360 . 2.920 2.626 2.564 2.715 . 0 0 "[ . 1 . 2]" 1
1541 4 118 VAL MG1 4 119 SER H 3.190 . 4.580 3.377 3.325 3.451 . 0 0 "[ . 1 . 2]" 1
1542 4 118 VAL MG1 4 123 PHE H 3.010 . 4.220 3.493 3.212 3.745 . 0 0 "[ . 1 . 2]" 1
1543 4 118 VAL MG1 4 123 PHE QD 3.290 . 4.780 3.604 3.300 3.771 . 0 0 "[ . 1 . 2]" 1
1544 4 118 VAL MG1 4 126 LEU H 3.380 . 4.960 2.654 2.418 2.907 . 0 0 "[ . 1 . 2]" 1
1545 4 118 VAL MG2 4 119 SER H 3.380 . 4.960 3.866 3.804 3.952 . 0 0 "[ . 1 . 2]" 1
1546 4 118 VAL MG2 4 126 LEU MD2 3.010 . 4.220 2.172 1.875 2.718 . 0 0 "[ . 1 . 2]" 1
1547 4 119 SER H 4 121 GLY H 2.950 . 4.100 3.922 3.814 4.016 . 0 0 "[ . 1 . 2]" 1
1548 4 121 GLY H 4 122 THR H 2.320 . 2.840 2.624 2.523 2.724 . 0 0 "[ . 1 . 2]" 1
1549 4 121 GLY H 4 123 PHE H 2.800 . 3.800 3.746 3.420 3.961 0.161 4 0 "[ . 1 . 2]" 1
1550 4 122 THR H 4 123 PHE H 2.370 . 2.940 2.820 2.708 2.959 0.019 19 0 "[ . 1 . 2]" 1
1551 4 125 GLN H 4 126 LEU H 3.330 . 4.860 4.560 4.494 4.619 . 0 0 "[ . 1 . 2]" 1
1552 4 126 LEU H 4 127 ASN H 2.910 . 4.020 4.068 3.867 4.405 0.385 9 0 "[ . 1 . 2]" 1
1553 4 126 LEU MD1 4 127 ASN H 2.780 . 3.760 2.932 2.132 3.180 . 0 0 "[ . 1 . 2]" 1
1554 4 126 LEU MD1 4 128 LEU H 2.940 . 4.080 3.653 3.062 3.918 . 0 0 "[ . 1 . 2]" 1
1555 4 127 ASN H 4 128 LEU H 2.970 . 4.140 4.006 3.714 4.259 0.119 8 0 "[ . 1 . 2]" 1
1556 4 128 LEU H 4 129 ALA H 3.300 . 4.800 4.531 4.433 4.663 . 0 0 "[ . 1 . 2]" 1
1557 4 128 LEU QD 4 129 ALA H 3.530 . 5.250 3.537 2.190 4.567 . 0 0 "[ . 1 . 2]" 1
1558 4 131 VAL QG 4 133 PHE H 3.500 . 5.200 3.720 3.166 4.083 . 0 0 "[ . 1 . 2]" 1
1559 4 131 VAL QG 4 133 PHE QD 3.510 . 5.220 3.251 2.574 3.770 . 0 0 "[ . 1 . 2]" 1
1560 4 131 VAL QG 4 133 PHE QE 3.190 . 4.580 3.152 2.624 3.724 . 0 0 "[ . 1 . 2]" 1
1561 4 131 VAL QG 4 136 LEU MD2 3.150 . 4.500 2.712 1.991 4.023 . 0 0 "[ . 1 . 2]" 1
1562 4 133 PHE H 4 134 ASP H 2.350 . 2.900 2.655 2.550 2.835 . 0 0 "[ . 1 . 2]" 1
1563 4 133 PHE H 4 135 ALA H 3.230 . 4.660 4.273 4.067 4.546 . 0 0 "[ . 1 . 2]" 1
1564 4 133 PHE H 4 136 LEU H 3.330 . 4.860 5.152 4.819 5.583 0.723 5 2 "[ + -1 . 2]" 1
1565 4 133 PHE QD 4 134 ASP H 3.260 . 4.720 4.226 3.998 4.485 . 0 0 "[ . 1 . 2]" 1
1566 4 134 ASP H 4 135 ALA H 2.320 . 2.840 2.692 2.569 2.856 0.016 3 0 "[ . 1 . 2]" 1
1567 4 134 ASP H 4 136 LEU H 2.950 . 4.100 4.200 3.962 4.603 0.503 9 1 "[ . +1 . 2]" 1
1568 4 135 ALA H 4 136 LEU H 2.360 . 2.920 2.672 2.580 2.895 . 0 0 "[ . 1 . 2]" 1
1569 4 135 ALA H 4 137 PHE H 3.170 . 4.540 4.332 3.967 4.963 0.423 8 0 "[ . 1 . 2]" 1
1570 4 135 ALA H 4 138 MET H 3.450 . 5.100 4.809 4.596 5.297 0.197 15 0 "[ . 1 . 2]" 1
1571 4 135 ALA H 4 138 MET ME 3.260 . 4.720 3.544 3.215 4.063 . 0 0 "[ . 1 . 2]" 1
1572 4 135 ALA MB 4 136 LEU H 2.690 . 3.580 2.750 2.248 3.102 . 0 0 "[ . 1 . 2]" 1
1573 4 135 ALA MB 4 138 MET ME 3.450 . 5.100 3.219 2.608 4.110 . 0 0 "[ . 1 . 2]" 1
1574 4 135 ALA MB 4 139 ASN H 3.350 . 4.900 4.568 4.258 4.860 . 0 0 "[ . 1 . 2]" 1
1575 4 136 LEU H 4 137 PHE H 2.330 . 2.860 2.636 2.476 2.940 0.080 8 0 "[ . 1 . 2]" 1
1576 4 136 LEU H 4 138 MET H 3.240 . 4.680 4.016 3.756 4.541 . 0 0 "[ . 1 . 2]" 1
1577 4 136 LEU H 4 139 ASN H 3.430 . 5.060 4.601 4.376 5.016 . 0 0 "[ . 1 . 2]" 1
1578 4 137 PHE H 4 138 MET H 2.210 . 2.620 2.562 2.298 2.760 0.140 16 0 "[ . 1 . 2]" 1
1579 4 137 PHE H 4 139 ASN H 3.050 . 4.300 3.933 3.469 4.156 . 0 0 "[ . 1 . 2]" 1
1580 4 137 PHE H 4 140 TYR H 3.280 . 4.760 4.957 4.467 5.323 0.563 1 2 "[+ . 1 - . 2]" 1
1581 4 137 PHE QD 4 138 MET H 3.270 . 4.740 4.290 3.913 4.793 0.053 8 0 "[ . 1 . 2]" 1
1582 4 138 MET H 4 139 ASN H 2.450 . 3.100 2.570 2.470 2.684 . 0 0 "[ . 1 . 2]" 1
1583 4 138 MET H 4 140 TYR H 3.100 . 4.400 4.165 3.859 4.357 . 0 0 "[ . 1 . 2]" 1
1584 4 138 MET ME 4 139 ASN H 3.440 . 5.080 4.823 4.183 5.878 0.798 8 3 "[ - + 1* . 2]" 1
1585 4 139 ASN H 4 140 TYR H 2.370 . 2.940 2.655 2.430 2.881 . 0 0 "[ . 1 . 2]" 1
1586 4 139 ASN H 4 141 LEU H 3.130 . 4.460 4.249 4.075 4.426 . 0 0 "[ . 1 . 2]" 1
1587 4 140 TYR H 4 141 LEU H 2.360 . 2.920 2.701 2.243 2.890 . 0 0 "[ . 1 . 2]" 1
1588 4 140 TYR QD 4 141 LEU H 3.220 . 4.640 3.760 3.491 4.170 . 0 0 "[ . 1 . 2]" 1
1589 4 140 TYR QD 4 141 LEU MD1 3.250 . 4.700 2.069 1.712 2.338 0.088 6 0 "[ . 1 . 2]" 1
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