NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607202 |
5jtl   |
30080 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jtl
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 1544
_Distance_constraint_stats_list.Viol_count 5756
_Distance_constraint_stats_list.Viol_total 47900.277
_Distance_constraint_stats_list.Viol_max 5.777
_Distance_constraint_stats_list.Viol_rms 0.3134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0776
_Distance_constraint_stats_list.Viol_average_violations_only 0.4161
_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 4.331 0.387 12 0 "[ . 1 . 2]"
1 10 THR 6.930 0.946 6 2 "[ .+ -1 . 2]"
1 11 PHE 7.729 0.712 1 3 "[+ -. 1 . *2]"
1 12 GLN 7.591 0.712 1 3 "[+ -. 1 . *2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 13.820 1.111 5 9 "[ *+ - * * ** **2]"
1 15 ARG 7.943 0.621 8 4 "[ *. + 1 .-* 2]"
1 16 ILE 0.135 0.109 17 0 "[ . 1 . 2]"
1 17 TYR 1.089 0.146 8 0 "[ . 1 . 2]"
1 18 THR 2.717 0.425 9 0 "[ . 1 . 2]"
1 19 LYS 5.395 0.465 7 0 "[ . 1 . 2]"
1 20 ASP 1.753 0.213 1 0 "[ . 1 . 2]"
1 21 ILE 3.566 0.296 1 0 "[ . 1 . 2]"
1 22 SER 10.312 2.306 5 4 "[ * + * 1- . 2]"
1 23 PHE 23.317 1.220 16 11 "[*** ** 1**- *+ *]"
1 24 GLU 30.274 1.220 16 14 "[*** ** **1**- *+ **]"
1 25 ALA 0.878 0.253 6 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 6.866 3.008 4 2 "[ +. - . 2]"
1 30 HIS 6.590 3.008 4 2 "[ +. - . 2]"
1 31 VAL 7.466 1.140 10 3 "[ *.- + . 2]"
1 32 PHE 3.754 0.505 6 1 "[ .+ 1 . 2]"
1 33 GLN 1.431 0.248 16 0 "[ . 1 . 2]"
1 34 LYS 5.664 1.140 10 2 "[ -. + . 2]"
1 35 ASP 22.535 1.822 5 13 "[ * *+ ******* .-** 2]"
1 36 TRP 24.534 2.078 16 15 "[****-* ** **+****]"
1 37 GLN 33.154 2.078 16 16 "[****** ** ***+****]"
1 39 GLU 28.267 1.176 18 16 "[****** * **** .**+**]"
1 40 VAL 11.048 0.788 6 5 "[** .+ 1 .* - 2]"
1 41 LYS 25.577 1.184 5 19 "[-***+*********** ***]"
1 42 LEU 1.020 0.590 14 1 "[ . 1 +. 2]"
1 43 ASP 7.791 1.056 20 3 "[ .* 1 . - +]"
1 44 LEU 7.605 1.056 20 3 "[ .* 1 . - +]"
1 45 ASP 3.037 0.456 13 0 "[ . 1 . 2]"
1 46 THR 2.301 0.255 12 0 "[ . 1 . 2]"
1 47 ALA 2.968 0.856 10 3 "[ *. + . - 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.644 0.285 20 0 "[ . 1 . 2]"
1 50 GLN 1.283 0.218 15 0 "[ . 1 . 2]"
1 51 LEU 3.488 0.772 1 2 "[+ -. 1 . 2]"
1 52 ALA 0.096 0.061 13 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 35.653 3.428 10 12 "[* *.- * + **** ** *]"
1 55 VAL 41.366 3.454 1 13 "[+ *** * * ***- ** *]"
1 56 TYR 90.978 3.454 1 15 "[+ *** * *****- ****]"
1 57 GLU 4.772 0.772 1 2 "[+ -. 1 . 2]"
1 58 VAL 19.124 1.053 16 10 "[ *. * * ** *+** *]"
1 59 VAL 0.783 0.309 16 0 "[ . 1 . 2]"
1 60 LEU 7.506 1.133 16 6 "[ * *- *1 * .+ 2]"
1 61 ARG 0.736 0.456 13 0 "[ . 1 . 2]"
1 62 VAL 3.495 0.276 5 0 "[ . 1 . 2]"
1 63 THR 3.423 0.276 5 0 "[ . 1 . 2]"
1 64 VAL 16.575 1.184 5 13 "[-***+ * ** ** ***]"
1 65 THR 15.290 1.134 10 18 "[- *******+****** ***]"
1 66 ALA 15.904 0.804 4 10 "[* -+* * ** . ***2]"
1 67 SER 26.569 1.247 17 17 "[****** * *****.*+**-]"
1 68 LEU 41.745 1.822 5 15 "[****+ *-***** *** 2]"
1 69 GLY 16.621 1.247 17 9 "[**- . * ** *. + *]"
1 70 GLU 4.200 0.359 14 0 "[ . 1 . 2]"
1 71 GLU 2.668 0.359 14 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 29.295 1.624 9 7 "[*-**. +1 ** 2]"
1 74 PHE 6.470 0.482 14 0 "[ . 1 . 2]"
1 75 LEU 3.572 0.341 10 0 "[ . 1 . 2]"
1 76 CYS 6.551 0.774 11 3 "[ - *+ . 2]"
1 77 GLU 18.388 3.477 5 8 "[- * + ***1* . *2]"
1 78 VAL 10.536 1.720 11 6 "[ * * * 1+ - * 2]"
1 79 GLN 7.505 0.465 7 0 "[ . 1 . 2]"
1 80 GLN 0.973 0.145 8 0 "[ . 1 . 2]"
1 81 GLY 0.437 0.095 8 0 "[ . 1 . 2]"
1 82 GLY 8.753 1.133 16 7 "[ * ** *1 * .+ - 2]"
1 83 ILE 16.396 1.053 16 5 "[ *. * 1 .+** 2]"
1 84 PHE 14.679 0.858 19 8 "[ *. * * ** .-* +2]"
1 85 SER 14.560 1.111 5 8 "[ *+ * - ** **2]"
1 86 ILE 15.361 2.967 20 5 "[* .* 1* . * +]"
1 87 ALA 3.557 0.946 6 2 "[ .+ -1 . 2]"
1 88 GLY 2.180 0.359 8 0 "[ . 1 . 2]"
1 89 ILE 2.062 0.359 8 0 "[ . 1 . 2]"
1 90 GLU 3.537 0.884 15 4 "[ . * 1 *+ - 2]"
1 91 GLY 13.956 0.926 14 11 "[ - ** * ** +*** *2]"
1 92 THR 2.749 0.589 16 1 "[ . 1 .+ 2]"
1 93 GLN 6.016 0.884 15 6 "[ . * * **+ - 2]"
1 94 MET 52.916 3.656 14 16 "[*** * **** -+******]"
1 95 ALA 7.740 0.874 14 6 "[ ** 1-* +* 2]"
1 96 HIS 12.258 1.042 12 5 "[ . * +* *- 2]"
1 97 CYS 10.949 1.223 10 5 "[ *- + ** . 2]"
1 98 LEU 45.521 3.656 14 13 "[*** * **1 *-+* ***]"
1 99 GLY 6.588 1.042 12 2 "[ . 1 +* . 2]"
1 100 ALA 52.532 3.870 10 10 "[** - **+ ** .** 2]"
1 101 TYR 19.087 2.579 18 7 "[ -** 1 * * + *]"
1 102 CYS 9.908 0.800 12 4 "[ - 1 +* . * 2]"
1 105 ILE 15.982 2.579 18 5 "[ .* 1 * - + *]"
1 109 TYR 0.618 0.127 20 0 "[ . 1 . 2]"
1 110 ALA 2.072 0.152 20 0 "[ . 1 . 2]"
1 111 ARG 0.880 0.129 10 0 "[ . 1 . 2]"
1 112 GLU 0.929 0.152 20 0 "[ . 1 . 2]"
1 113 CYS 0.229 0.067 6 0 "[ . 1 . 2]"
1 114 ILE 1.127 0.463 9 0 "[ . 1 . 2]"
1 115 THR 2.830 0.392 13 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 MET 26.541 3.477 5 5 "[ * + * 1* - . 2]"
1 118 VAL 6.693 0.532 7 1 "[ . + 1 . 2]"
1 119 SER 0.446 0.240 9 0 "[ . 1 . 2]"
1 121 GLY 0.324 0.131 10 0 "[ . 1 . 2]"
1 122 THR 0.350 0.106 20 0 "[ . 1 . 2]"
1 123 PHE 3.550 0.405 7 0 "[ . 1 . 2]"
1 125 GLN 2.023 0.532 7 1 "[ . + 1 . 2]"
1 126 LEU 4.832 0.834 10 3 "[* . - + . 2]"
1 127 ASN 0.070 0.039 8 0 "[ . 1 . 2]"
1 128 LEU 10.432 1.054 14 8 "[** *.* 1 +.* * *]"
1 129 ALA 6.624 1.054 14 7 "[** *. 1 +.- * *]"
1 131 VAL 29.153 4.224 20 9 "[- **. *1* *** +]"
1 133 PHE 72.473 4.224 20 16 "[-**** ********** +]"
1 134 ASP 18.912 3.289 1 8 "[+ - * * * ** .* 2]"
1 135 ALA 10.227 1.188 13 7 "[- *. 1* +*.** 2]"
1 136 LEU 53.863 3.239 15 18 "[**-**** ******+****2]"
1 137 PHE 49.682 3.239 15 15 "[-* **** *** **+ ***2]"
1 138 MET 5.739 1.188 13 4 "[- . 1 +*. * 2]"
1 139 ASN 7.050 0.634 5 3 "[ + 1 * .- 2]"
1 140 TYR 3.971 0.440 5 0 "[ . 1 . 2]"
1 141 LEU 8.090 0.769 18 3 "[- . 1 *. + 2]"
2 9 MET 1.500 0.880 15 1 "[ . 1 + 2]"
2 10 THR 2.545 0.614 14 2 "[ . - 1 +. 2]"
2 11 PHE 6.755 1.366 19 6 "[* .** 1 *- +2]"
2 12 GLN 2.574 0.239 12 0 "[ . 1 . 2]"
2 13 ILE 2.135 0.239 12 0 "[ . 1 . 2]"
2 14 GLN 16.287 1.021 16 15 "[****.* * *** *-+** *]"
2 15 ARG 5.727 0.329 2 0 "[ . 1 . 2]"
2 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 TYR 0.178 0.069 1 0 "[ . 1 . 2]"
2 18 THR 0.287 0.131 10 0 "[ . 1 . 2]"
2 19 LYS 3.680 0.396 4 0 "[ . 1 . 2]"
2 20 ASP 0.657 0.168 20 0 "[ . 1 . 2]"
2 21 ILE 0.370 0.114 5 0 "[ . 1 . 2]"
2 22 SER 0.450 0.174 18 0 "[ . 1 . 2]"
2 23 PHE 0.972 0.293 14 0 "[ . 1 . 2]"
2 24 GLU 1.553 0.293 14 0 "[ . 1 . 2]"
2 25 ALA 0.897 0.114 2 0 "[ . 1 . 2]"
2 27 ASN 0.073 0.073 19 0 "[ . 1 . 2]"
2 28 ALA 4.306 0.477 15 0 "[ . 1 . 2]"
2 30 HIS 2.999 0.477 15 0 "[ . 1 . 2]"
2 31 VAL 18.833 1.521 6 12 "[*** *+ * ** * * * -]"
2 32 PHE 3.469 0.509 20 1 "[ . 1 . +]"
2 33 GLN 2.514 0.316 2 0 "[ . 1 . 2]"
2 34 LYS 11.641 1.014 13 5 "[-* . 1 + * * 2]"
2 35 ASP 5.260 0.617 4 2 "[ +. 1 . - 2]"
2 36 TRP 18.580 1.521 6 12 "[ ***+ * ** * **-* 2]"
2 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 GLU 15.435 1.032 2 13 "[*+ *** 1 *****-* *]"
2 40 VAL 6.464 1.453 19 4 "[ . 1 * *.- +2]"
2 41 LYS 0.847 0.359 19 0 "[ . 1 . 2]"
2 42 LEU 0.597 0.362 2 0 "[ . 1 . 2]"
2 43 ASP 2.962 0.319 5 0 "[ . 1 . 2]"
2 44 LEU 3.559 0.362 2 0 "[ . 1 . 2]"
2 45 ASP 0.289 0.289 11 0 "[ . 1 . 2]"
2 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ALA 2.510 0.458 2 0 "[ . 1 . 2]"
2 48 SER 2.900 0.341 2 0 "[ . 1 . 2]"
2 49 SER 4.586 0.490 3 0 "[ . 1 . 2]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 LEU 11.800 0.636 12 2 "[ . 1 + . - 2]"
2 52 ALA 3.126 0.420 2 0 "[ . 1 . 2]"
2 53 ASP 0.239 0.070 3 0 "[ . 1 . 2]"
2 54 ASP 3.344 2.830 5 1 "[ + 1 . 2]"
2 55 VAL 25.523 0.833 9 11 "[ * - +1*** ** ***]"
2 56 TYR 28.883 2.497 5 11 "[ + - *1*** ** ***]"
2 57 GLU 5.031 0.518 17 1 "[ . 1 . + 2]"
2 58 VAL 17.203 2.060 5 9 "[ ***+* 1 - *.* * 2]"
2 59 VAL 6.134 0.596 12 1 "[ . 1 + . 2]"
2 60 LEU 9.087 0.818 15 8 "[ -* * ***+* 2]"
2 61 ARG 0.744 0.289 11 0 "[ . 1 . 2]"
2 62 VAL 4.669 0.640 13 2 "[ . 1 + - 2]"
2 63 THR 0.021 0.021 6 0 "[ . 1 . 2]"
2 64 VAL 18.428 0.940 17 13 "[* * ***- * ** **+ *]"
2 65 THR 6.091 0.451 10 0 "[ . 1 . 2]"
2 66 ALA 10.758 0.688 7 8 "[ * .*+* 1* **.- 2]"
2 67 SER 11.652 1.032 2 13 "[*+ *** 1 *****-* *]"
2 68 LEU 12.719 1.022 6 3 "[ - .+ 1* . 2]"
2 69 GLY 5.837 0.681 11 4 "[ . 1+ * .-* 2]"
2 70 GLU 0.456 0.244 16 0 "[ . 1 . 2]"
2 71 GLU 7.670 0.874 11 2 "[ - . 1+ . 2]"
2 72 THR 1.217 0.302 19 0 "[ . 1 . 2]"
2 73 ALA 3.301 0.591 6 1 "[ .+ 1 . 2]"
2 74 PHE 9.590 0.688 7 8 "[ * .*+* 1* **.- 2]"
2 75 LEU 1.580 0.269 12 0 "[ . 1 . 2]"
2 76 CYS 12.310 0.940 17 13 "[* * ***- * ** **+ *]"
2 77 GLU 0.477 0.174 18 0 "[ . 1 . 2]"
2 78 VAL 2.387 0.413 10 0 "[ . 1 . 2]"
2 79 GLN 4.662 0.396 4 0 "[ . 1 . 2]"
2 80 GLN 7.365 0.818 15 7 "[ -* * * *+* 2]"
2 81 GLY 0.133 0.069 1 0 "[ . 1 . 2]"
2 82 GLY 6.168 0.524 13 1 "[ . 1 + . 2]"
2 83 ILE 14.435 1.021 16 15 "[****.* * *** *-+** *]"
2 84 PHE 17.476 2.060 5 9 "[ ** +* 1 *-*.* * 2]"
2 85 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 ILE 6.243 1.568 5 4 "[- *+ 1* . 2]"
2 87 ALA 12.023 2.830 5 4 "[ + - 1 ** 2]"
2 88 GLY 0.159 0.081 19 0 "[ . 1 . 2]"
2 89 ILE 6.117 1.638 2 3 "[ + *.- 1 . 2]"
2 90 GLU 1.298 0.372 6 0 "[ . 1 . 2]"
2 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 THR 11.699 0.698 1 2 "[+ . -1 . 2]"
2 93 GLN 8.781 0.533 9 2 "[- . +1 . 2]"
2 94 MET 4.409 0.372 6 0 "[ . 1 . 2]"
2 95 ALA 5.783 0.698 1 2 "[+ . * 1 . 2]"
2 96 HIS 5.832 0.490 17 0 "[ . 1 . 2]"
2 97 CYS 1.961 0.266 16 0 "[ . 1 . 2]"
2 98 LEU 15.410 1.638 2 6 "[-+ *.* * 1* . 2]"
2 99 GLY 11.586 0.697 20 5 "[ . * 1- .* * +]"
2 100 ALA 22.981 2.581 1 14 "[+** . *-**** *** * *]"
2 101 TYR 1.502 0.240 8 0 "[ . 1 . 2]"
2 102 CYS 20.457 1.211 12 12 "[ ** . *- **+ *** * *]"
2 105 ILE 6.210 1.366 19 6 "[* .** 1 *- +2]"
2 109 TYR 0.003 0.003 14 0 "[ . 1 . 2]"
2 110 ALA 0.090 0.039 1 0 "[ . 1 . 2]"
2 111 ARG 0.096 0.039 1 0 "[ . 1 . 2]"
2 112 GLU 0.017 0.014 12 0 "[ . 1 . 2]"
2 113 CYS 0.012 0.012 4 0 "[ . 1 . 2]"
2 114 ILE 1.511 0.163 18 0 "[ . 1 . 2]"
2 115 THR 0.847 0.159 16 0 "[ . 1 . 2]"
2 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 117 MET 0.157 0.074 4 0 "[ . 1 . 2]"
2 118 VAL 0.793 0.530 8 1 "[ . + 1 . 2]"
2 119 SER 2.059 0.234 4 0 "[ . 1 . 2]"
2 121 GLY 6.265 0.688 1 1 "[+ . 1 . 2]"
2 122 THR 1.595 0.374 9 0 "[ . 1 . 2]"
2 123 PHE 6.301 0.688 1 1 "[+ . 1 . 2]"
2 125 GLN 1.822 0.675 1 3 "[+ . - 1 .* 2]"
2 126 LEU 5.322 0.625 12 3 "[ . 1 + . *- 2]"
2 127 ASN 4.392 0.625 12 3 "[ . 1 + . *- 2]"
2 128 LEU 5.548 1.453 19 4 "[ . 1 * *.- +2]"
2 129 ALA 0.194 0.062 9 0 "[ . 1 . 2]"
2 131 VAL 0.026 0.026 4 0 "[ . 1 . 2]"
2 133 PHE 70.632 2.690 2 17 "[*+* ***********- * *]"
2 134 ASP 58.259 2.690 2 17 "[*+* ****-******* * *]"
2 135 ALA 15.210 1.132 10 9 "[*** .* *+ **- 2]"
2 136 LEU 7.487 1.278 14 4 "[* - 1 +* 2]"
2 137 PHE 17.647 1.001 15 7 "[ * * -* *+ * 2]"
2 138 MET 4.931 0.964 6 3 "[ - .+ * 1 . 2]"
2 139 ASN 1.747 0.554 2 1 "[ + . 1 . 2]"
2 140 TYR 9.216 1.278 14 5 "[**- . 1 *+. 2]"
2 141 LEU 7.658 0.964 6 5 "[*- .+ * 1 * . 2]"
3 9 MET 135.441 5.640 7 20 [******+*******-*****]
3 10 THR 81.593 3.784 11 19 [****.*****+********-]
3 11 PHE 85.562 5.640 7 20 [-*****+*************]
3 12 GLN 10.314 1.039 5 5 "[- * + 1 *. *]"
3 13 ILE 53.127 2.454 16 18 "[*** *-*********+** *]"
3 14 GLN 4.609 0.438 14 0 "[ . 1 . 2]"
3 15 ARG 21.360 1.564 17 17 "[*** **-**1******+* *]"
3 16 ILE 30.297 2.454 16 18 "[-*************.+** *]"
3 17 TYR 0.868 0.125 14 0 "[ . 1 . 2]"
3 18 THR 0.693 0.189 12 0 "[ . 1 . 2]"
3 19 LYS 19.981 1.161 3 20 [**+******-**********]
3 20 ASP 7.791 0.679 12 2 "[ . 1 + -. 2]"
3 21 ILE 1.490 0.140 12 0 "[ . 1 . 2]"
3 22 SER 6.135 0.502 8 1 "[ . + 1 . 2]"
3 23 PHE 0.278 0.108 5 0 "[ . 1 . 2]"
3 24 GLU 0.575 0.119 19 0 "[ . 1 . 2]"
3 25 ALA 0.114 0.066 7 0 "[ . 1 . 2]"
3 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 28 ALA 3.756 0.540 11 1 "[ . 1+ . 2]"
3 30 HIS 2.623 0.540 11 1 "[ . 1+ . 2]"
3 31 VAL 23.146 3.549 18 8 "[ -** *1* * + *]"
3 32 PHE 10.927 1.414 17 9 "[ * * - 1*** * +* 2]"
3 33 GLN 1.047 0.374 13 0 "[ . 1 . 2]"
3 34 LYS 0.964 0.374 13 0 "[ . 1 . 2]"
3 35 ASP 7.987 2.149 20 8 "[ - ** 1* * * *+]"
3 36 TRP 31.248 3.549 18 8 "[ *-* *1* * + *]"
3 37 GLN 9.809 1.662 9 6 "[ .- +1* * * *]"
3 39 GLU 24.050 1.294 4 18 "[***+*-********.* ***]"
3 40 VAL 5.171 0.420 5 0 "[ . 1 . 2]"
3 41 LYS 0.339 0.097 18 0 "[ . 1 . 2]"
3 42 LEU 5.292 0.910 11 4 "[ . 1+ - . ** 2]"
3 43 ASP 10.018 0.910 11 4 "[ . 1+ - . ** 2]"
3 44 LEU 22.341 3.970 18 9 "[ -*** *1 * * *+ 2]"
3 45 ASP 8.400 0.934 10 5 "[ *- *+ * . 2]"
3 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 47 ALA 3.127 0.743 10 2 "[ . + . - 2]"
3 48 SER 0.104 0.030 20 0 "[ . 1 . 2]"
3 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 50 GLN 0.432 0.432 3 0 "[ . 1 . 2]"
3 51 LEU 3.617 0.705 17 1 "[ . 1 . + 2]"
3 52 ALA 1.195 0.309 10 0 "[ . 1 . 2]"
3 53 ASP 0.105 0.033 9 0 "[ . 1 . 2]"
3 54 ASP 22.693 3.781 3 12 "[ *+ . - *** ***** *]"
3 55 VAL 16.187 3.400 15 3 "[ *- . 1 + 2]"
3 56 TYR 39.879 3.870 15 7 "[ ** . * **+- 2]"
3 57 GLU 1.671 0.705 17 1 "[ . 1 . + 2]"
3 58 VAL 1.108 0.355 9 0 "[ . 1 . 2]"
3 59 VAL 0.317 0.230 9 0 "[ . 1 . 2]"
3 60 LEU 29.387 5.664 9 12 "[** -.** +*** *. * *]"
3 61 ARG 9.950 1.391 5 8 "[ -+** * * * * 2]"
3 62 VAL 5.314 0.797 13 2 "[ . 1 + . -]"
3 63 THR 9.328 0.934 10 5 "[ *- *+ * . 2]"
3 64 VAL 12.003 0.819 19 4 "[ . - .* +*]"
3 65 THR 0.983 0.211 20 0 "[ . 1 . 2]"
3 66 ALA 8.826 0.713 13 3 "[ .- 1 + .* 2]"
3 67 SER 17.422 1.294 4 18 "[-**+**********.* ***]"
3 68 LEU 16.040 2.149 20 12 "[** *-* ** *** *+]"
3 69 GLY 2.775 0.302 8 0 "[ . 1 . 2]"
3 70 GLU 12.347 0.657 14 7 "[** -* * +. *2]"
3 71 GLU 2.884 0.225 3 0 "[ . 1 . 2]"
3 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 73 ALA 5.830 0.713 13 2 "[ . 1 + .- 2]"
3 74 PHE 21.213 1.679 10 16 "[****** *-+* **.** **]"
3 75 LEU 6.456 0.760 20 3 "[ . - .* +]"
3 76 CYS 3.900 0.554 16 1 "[ . 1 .+ 2]"
3 77 GLU 4.720 0.502 8 1 "[ . + 1 . 2]"
3 78 VAL 3.133 0.521 20 1 "[ . 1 . +]"
3 79 GLN 23.557 1.161 3 20 [**+******-**********]
3 80 GLN 7.563 0.778 20 7 "[** -.** 1 *. +]"
3 81 GLY 2.089 0.597 20 1 "[ . 1 . +]"
3 82 GLY 2.117 0.209 1 0 "[ . 1 . 2]"
3 83 ILE 2.750 0.228 2 0 "[ . 1 . 2]"
3 84 PHE 10.830 1.444 10 8 "[** * * + * .- *]"
3 85 SER 3.824 0.325 3 0 "[ . 1 . 2]"
3 86 ILE 113.099 3.784 11 18 [****.****1+*******-*]
3 87 ALA 61.358 3.870 15 19 [****.*********+****-]
3 88 GLY 40.967 3.467 11 18 "[*** *** **+*******-*]"
3 89 ILE 152.426 5.539 7 20 [******+***********-*]
3 90 GLU 60.331 3.085 11 20 [**********+*********]
3 91 GLY 82.597 5.539 7 20 [******+***-*********]
3 92 THR 0.428 0.405 15 0 "[ . 1 . 2]"
3 93 GLN 0.965 0.534 14 1 "[ . 1 +. 2]"
3 94 MET 49.329 3.224 16 18 "[*** *-* *******+****]"
3 95 ALA 7.787 0.828 3 8 "[ + .* * **-* *2]"
3 96 HIS 2.163 0.445 15 0 "[ . 1 . 2]"
3 97 CYS 22.968 1.036 15 11 "[ * *** * ** +* *-]"
3 98 LEU 12.360 0.583 15 2 "[ . - + 2]"
3 99 GLY 19.356 0.640 10 4 "[ * . + * -]"
3 100 ALA 10.353 0.806 13 7 "[ * * * * + .- *]"
3 101 TYR 15.527 1.882 20 7 "[ * -* * . **+]"
3 102 CYS 17.235 0.806 13 8 "[ ** * * * + .- *]"
3 105 ILE 4.604 1.882 20 3 "[ . * 1 . - +]"
3 109 TYR 8.712 1.193 9 9 "[-* *.** +1 **. * 2]"
3 110 ALA 1.885 0.246 4 0 "[ . 1 . 2]"
3 111 ARG 0.540 0.083 17 0 "[ . 1 . 2]"
3 112 GLU 1.316 0.246 4 0 "[ . 1 . 2]"
3 113 CYS 0.014 0.014 14 0 "[ . 1 . 2]"
3 114 ILE 0.136 0.072 17 0 "[ . 1 . 2]"
3 115 THR 0.399 0.242 3 0 "[ . 1 . 2]"
3 116 SER 0.506 0.152 9 0 "[ . 1 . 2]"
3 117 MET 0.342 0.134 20 0 "[ . 1 . 2]"
3 118 VAL 3.923 0.944 20 4 "[* * . 1 .- +]"
3 119 SER 0.338 0.152 9 0 "[ . 1 . 2]"
3 121 GLY 1.090 0.410 2 0 "[ . 1 . 2]"
3 122 THR 0.054 0.054 7 0 "[ . 1 . 2]"
3 123 PHE 24.957 1.679 10 16 "[****** **+* **.-* **]"
3 125 GLN 1.292 0.675 1 2 "[+ . 1 .- 2]"
3 126 LEU 4.422 0.819 19 2 "[ . - 1 . +2]"
3 127 ASN 3.348 0.646 7 1 "[ . + 1 . 2]"
3 128 LEU 9.007 1.762 12 5 "[ - . * 1 + . * *]"
3 129 ALA 2.189 0.578 12 1 "[ . 1 + . 2]"
3 131 VAL 6.001 1.762 12 5 "[ - . * 1 + . * *]"
3 133 PHE 49.947 5.664 9 16 "[****.***+**-* .*** *]"
3 134 ASP 0.315 0.277 4 0 "[ . 1 . 2]"
3 135 ALA 3.144 0.489 17 0 "[ . 1 . 2]"
3 136 LEU 22.501 2.599 1 11 "[+-* .*** * ** .** 2]"
3 137 PHE 2.810 0.428 12 0 "[ . 1 . 2]"
3 138 MET 0.756 0.387 4 0 "[ . 1 . 2]"
3 139 ASN 0.381 0.201 9 0 "[ . 1 . 2]"
3 140 TYR 2.785 0.908 20 1 "[ . 1 . +]"
3 141 LEU 2.584 0.908 20 1 "[ . 1 . +]"
4 9 MET 4.795 1.554 5 4 "[ + - .* *]"
4 10 THR 0.201 0.201 19 0 "[ . 1 . 2]"
4 11 PHE 23.691 1.402 16 10 "[ - .** *1 ****+ *2]"
4 12 GLN 7.880 0.615 19 2 "[ . *1 . +2]"
4 13 ILE 0.032 0.032 19 0 "[ . 1 . 2]"
4 14 GLN 3.345 0.349 18 0 "[ . 1 . 2]"
4 15 ARG 4.248 0.528 5 1 "[ + 1 . 2]"
4 16 ILE 1.859 0.422 11 0 "[ . 1 . 2]"
4 17 TYR 2.593 0.380 11 0 "[ . 1 . 2]"
4 18 THR 0.168 0.054 7 0 "[ . 1 . 2]"
4 19 LYS 13.081 0.911 1 14 "[+ ***** * * ***** -]"
4 20 ASP 4.283 0.384 15 0 "[ . 1 . 2]"
4 21 ILE 0.134 0.134 20 0 "[ . 1 . 2]"
4 22 SER 0.628 0.094 18 0 "[ . 1 . 2]"
4 23 PHE 0.437 0.199 10 0 "[ . 1 . 2]"
4 24 GLU 2.544 0.491 19 0 "[ . 1 . 2]"
4 25 ALA 0.594 0.136 20 0 "[ . 1 . 2]"
4 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 28 ALA 12.613 0.706 19 6 "[ .* 1 - * **+2]"
4 30 HIS 11.292 0.706 19 6 "[ .* 1 - * **+2]"
4 31 VAL 4.314 0.284 17 0 "[ . 1 . 2]"
4 32 PHE 2.458 0.336 19 0 "[ . 1 . 2]"
4 33 GLN 0.028 0.028 9 0 "[ . 1 . 2]"
4 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
4 35 ASP 1.495 0.580 6 1 "[ .+ 1 . 2]"
4 36 TRP 6.353 1.155 7 4 "[* *-+ 1 . 2]"
4 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 39 GLU 10.965 1.196 14 10 "[ -*** *1* +* **2]"
4 40 VAL 1.149 0.156 4 0 "[ . 1 . 2]"
4 41 LYS 5.261 1.140 14 3 "[ . 1 -+. * 2]"
4 42 LEU 33.603 5.777 14 18 "[***** **-***+******]"
4 43 ASP 12.141 1.235 12 7 "[ * - ** 1 +**. 2]"
4 44 LEU 21.598 2.068 14 11 "[****. ** * +.* -*2]"
4 45 ASP 0.056 0.045 14 0 "[ . 1 . 2]"
4 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 47 ALA 0.338 0.338 7 0 "[ . 1 . 2]"
4 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 49 SER 2.090 0.379 15 0 "[ . 1 . 2]"
4 50 GLN 0.052 0.029 20 0 "[ . 1 . 2]"
4 51 LEU 13.737 2.146 6 4 "[- *.+* 1 . 2]"
4 52 ALA 17.727 2.146 6 4 "[* -+ 1 * . 2]"
4 53 ASP 0.904 0.437 6 0 "[ . 1 . 2]"
4 54 ASP 0.344 0.200 6 0 "[ . 1 . 2]"
4 55 VAL 12.450 1.392 6 4 "[* -+ 1 * . 2]"
4 56 TYR 66.753 4.312 13 15 "[***** * -* *+*** **]"
4 57 GLU 7.992 0.652 4 3 "[- +. * 1 . 2]"
4 58 VAL 4.491 0.801 6 2 "[ .+ 1 .- 2]"
4 59 VAL 1.435 0.392 14 0 "[ . 1 . 2]"
4 60 LEU 5.071 0.602 14 4 "[ - . 1 * +. * 2]"
4 61 ARG 0.074 0.045 14 0 "[ . 1 . 2]"
4 62 VAL 1.407 0.483 12 0 "[ . 1 . 2]"
4 63 THR 5.331 0.839 14 4 "[ - * 1 * +. 2]"
4 64 VAL 2.540 0.405 12 0 "[ . 1 . 2]"
4 65 THR 4.399 1.140 14 3 "[ . 1 -+. * 2]"
4 66 ALA 9.506 1.284 14 7 "[ ** 1** +* - 2]"
4 67 SER 10.965 1.196 14 10 "[ -*** *1* +* **2]"
4 68 LEU 7.520 0.538 2 1 "[ + . 1 . 2]"
4 69 GLY 4.833 1.155 7 3 "[- * + 1 . 2]"
4 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 71 GLU 6.252 0.538 2 1 "[ + . 1 . 2]"
4 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 73 ALA 1.162 0.177 8 0 "[ . 1 . 2]"
4 74 PHE 1.769 0.247 2 0 "[ . 1 . 2]"
4 75 LEU 2.033 0.491 19 0 "[ . 1 . 2]"
4 76 CYS 8.207 1.284 14 7 "[ ** 1** +* - 2]"
4 77 GLU 0.129 0.129 14 0 "[ . 1 . 2]"
4 78 VAL 1.498 0.148 5 0 "[ . 1 . 2]"
4 79 GLN 16.710 0.911 1 14 "[+ ***** * * ***** -]"
4 80 GLN 0.575 0.107 19 0 "[ . 1 . 2]"
4 81 GLY 0.504 0.392 14 0 "[ . 1 . 2]"
4 82 GLY 4.483 0.602 14 3 "[ . 1 - +. * 2]"
4 83 ILE 16.006 1.414 17 9 "[ * - * 1*** * +* 2]"
4 84 PHE 3.378 0.801 6 2 "[ .+ 1 .- 2]"
4 85 SER 18.508 1.402 16 10 "[ - .** *1 ****+ *2]"
4 86 ILE 49.644 3.012 14 16 "[***** **-* **+*** *2]"
4 87 ALA 6.565 1.554 5 4 "[ + - .* *]"
4 88 GLY 3.915 0.844 15 4 "[ * 1 - + * 2]"
4 89 ILE 6.225 0.863 19 5 "[ * 1 - * *+2]"
4 90 GLU 0.718 0.395 13 0 "[ . 1 . 2]"
4 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 92 THR 1.270 0.260 17 0 "[ . 1 . 2]"
4 93 GLN 7.310 0.797 14 3 "[ ** 1 +. 2]"
4 94 MET 1.812 0.395 13 0 "[ . 1 . 2]"
4 95 ALA 21.752 3.012 14 9 "[ * ** **1 * +. * *2]"
4 96 HIS 5.575 0.797 14 3 "[ -* 1 +. 2]"
4 97 CYS 2.830 0.349 2 0 "[ . 1 . 2]"
4 98 LEU 46.542 4.312 13 15 "[***** * -* *+*** **]"
4 99 GLY 6.227 0.408 15 0 "[ . 1 . 2]"
4 100 ALA 9.768 0.498 8 0 "[ . 1 . 2]"
4 101 TYR 0.991 0.173 12 0 "[ . 1 . 2]"
4 102 CYS 3.435 0.498 8 0 "[ . 1 . 2]"
4 105 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
4 109 TYR 0.108 0.072 5 0 "[ . 1 . 2]"
4 110 ALA 0.744 0.146 9 0 "[ . 1 . 2]"
4 111 ARG 1.854 0.251 14 0 "[ . 1 . 2]"
4 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
4 113 CYS 3.164 0.256 5 0 "[ . 1 . 2]"
4 114 ILE 2.402 0.207 7 0 "[ . 1 . 2]"
4 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 116 SER 3.318 0.256 5 0 "[ . 1 . 2]"
4 117 MET 0.314 0.129 14 0 "[ . 1 . 2]"
4 118 VAL 0.190 0.141 20 0 "[ . 1 . 2]"
4 119 SER 4.496 0.481 20 0 "[ . 1 . 2]"
4 121 GLY 1.502 0.468 20 0 "[ . 1 . 2]"
4 122 THR 0.092 0.092 16 0 "[ . 1 . 2]"
4 123 PHE 6.209 0.481 20 0 "[ . 1 . 2]"
4 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
4 126 LEU 0.536 0.157 2 0 "[ . 1 . 2]"
4 127 ASN 0.163 0.157 2 0 "[ . 1 . 2]"
4 128 LEU 9.161 1.783 14 5 "[ - . * 1 **+. 2]"
4 129 ALA 15.996 5.777 14 10 "[ * * -***+* * *]"
4 131 VAL 14.930 3.083 12 7 "[* * * 1 + ** - 2]"
4 133 PHE 27.247 3.083 12 10 "[* - ** * 1 + ** ** 2]"
4 134 ASP 4.943 0.430 1 0 "[ . 1 . 2]"
4 135 ALA 13.055 0.846 14 4 "[ - * 1 +* 2]"
4 136 LEU 8.190 0.720 8 5 "[ .* + 1 - . ** 2]"
4 137 PHE 8.022 2.556 13 2 "[ . 1 + - 2]"
4 138 MET 11.297 1.014 11 8 "[ - * * 1+ *** * 2]"
4 139 ASN 1.823 0.455 7 0 "[ . 1 . 2]"
4 140 TYR 3.546 0.530 7 1 "[ . + 1 . 2]"
4 141 LEU 14.306 2.556 13 7 "[ * * - 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 3.040 . 4.280 4.474 4.020 4.667 0.387 12 0 "[ . 1 . 2]" 1
2 1 10 THR H 1 11 PHE H 3.050 . 4.300 4.191 3.933 4.394 0.094 6 0 "[ . 1 . 2]" 1
3 1 10 THR H 1 87 ALA H 2.640 . 3.480 3.215 1.869 4.426 0.946 6 2 "[ .+ -1 . 2]" 1
4 1 11 PHE H 1 12 GLN H 3.280 . 4.760 4.302 4.045 4.590 . 0 0 "[ . 1 . 2]" 1
5 1 11 PHE QD 1 12 GLN H 2.600 . 3.400 3.266 1.926 4.108 0.708 1 3 "[+ -. 1 . *2]" 1
6 1 11 PHE QD 1 101 TYR QE 3.290 . 4.780 3.588 2.379 4.812 0.032 4 0 "[ . 1 . 2]" 1
7 1 11 PHE QE 1 12 GLN H 3.220 . 4.640 4.524 3.811 5.352 0.712 1 1 "[+ . 1 . 2]" 1
8 1 11 PHE QE 1 84 PHE QD 3.120 . 4.440 3.087 2.148 3.669 . 0 0 "[ . 1 . 2]" 1
9 1 11 PHE QE 1 84 PHE QE 3.460 . 5.120 3.910 3.194 4.333 . 0 0 "[ . 1 . 2]" 1
10 1 11 PHE QE 1 101 TYR QD 3.380 . 4.960 3.758 3.155 4.116 . 0 0 "[ . 1 . 2]" 1
11 1 11 PHE QE 1 101 TYR QE 3.240 . 4.680 2.973 1.897 3.658 . 0 0 "[ . 1 . 2]" 1
12 1 12 GLN H 1 13 ILE H 3.090 . 4.380 4.118 3.650 4.321 . 0 0 "[ . 1 . 2]" 1
13 1 12 GLN H 1 85 SER H 2.990 . 4.180 3.257 2.331 4.287 0.107 6 0 "[ . 1 . 2]" 1
14 1 13 ILE H 1 14 GLN H 3.260 . 4.720 4.445 4.294 4.536 . 0 0 "[ . 1 . 2]" 1
15 1 13 ILE MD 1 16 ILE MD 2.800 . 3.800 2.123 1.868 2.539 . 0 0 "[ . 1 . 2]" 1
16 1 13 ILE MD 1 109 TYR QE 3.460 . 5.120 4.268 3.514 4.925 . 0 0 "[ . 1 . 2]" 1
17 1 14 GLN H 1 15 ARG H 2.240 . 2.680 2.286 2.030 2.470 . 0 0 "[ . 1 . 2]" 1
18 1 14 GLN H 1 83 ILE H 3.210 . 4.620 4.784 4.422 5.165 0.545 8 1 "[ . + 1 . 2]" 1
19 1 14 GLN H 1 84 PHE H 3.270 . 4.740 4.727 4.432 5.343 0.603 16 1 "[ . 1 .+ 2]" 1
20 1 14 GLN H 1 84 PHE QD 3.510 . 5.220 4.010 3.100 5.256 0.036 1 0 "[ . 1 . 2]" 1
21 1 14 GLN H 1 85 SER H 2.600 . 3.400 3.818 3.241 4.511 1.111 5 8 "[ *+ * - ** **2]" 1
22 1 15 ARG H 1 16 ILE H 3.110 . 4.420 4.029 3.843 4.223 . 0 0 "[ . 1 . 2]" 1
23 1 15 ARG H 1 83 ILE H 2.460 . 3.120 3.517 3.312 3.741 0.621 8 4 "[ *. + 1 .-* 2]" 1
24 1 16 ILE H 1 17 TYR H 3.230 . 4.660 4.406 4.319 4.514 . 0 0 "[ . 1 . 2]" 1
25 1 16 ILE H 1 83 ILE H 3.520 . 5.240 4.974 4.762 5.154 . 0 0 "[ . 1 . 2]" 1
26 1 16 ILE MD 1 109 TYR QD 2.670 . 3.540 3.265 2.899 3.649 0.109 17 0 "[ . 1 . 2]" 1
27 1 16 ILE MD 1 109 TYR QE 2.440 . 3.080 2.751 2.191 3.106 0.026 2 0 "[ . 1 . 2]" 1
28 1 17 TYR H 1 18 THR H 3.190 . 4.580 4.319 4.237 4.374 . 0 0 "[ . 1 . 2]" 1
29 1 17 TYR H 1 81 GLY H 2.930 . 4.060 3.904 3.693 4.089 0.029 15 0 "[ . 1 . 2]" 1
30 1 17 TYR QD 1 18 THR H 2.950 . 4.100 3.714 3.129 4.245 0.145 16 0 "[ . 1 . 2]" 1
31 1 17 TYR QD 2 28 ALA MB 3.500 . 5.200 2.896 2.310 3.496 . 0 0 "[ . 1 . 2]" 1
32 1 17 TYR QE 1 83 ILE MD 3.160 . 4.520 2.655 2.320 3.268 . 0 0 "[ . 1 . 2]" 1
33 1 17 TYR QE 2 28 ALA MB 3.220 . 4.640 1.823 1.654 2.104 0.146 8 0 "[ . 1 . 2]" 1
34 1 18 THR H 1 19 LYS H 3.250 . 4.700 4.397 4.266 4.547 . 0 0 "[ . 1 . 2]" 1
35 1 18 THR H 1 81 GLY H 3.350 . 4.900 4.855 4.569 4.995 0.095 8 0 "[ . 1 . 2]" 1
36 1 18 THR H 2 121 GLY H 3.110 . 4.420 4.306 4.010 4.845 0.425 9 0 "[ . 1 . 2]" 1
37 1 18 THR H 2 122 THR H 3.230 . 4.660 4.670 4.347 5.034 0.374 9 0 "[ . 1 . 2]" 1
38 1 19 LYS H 1 20 ASP H 2.050 . 2.310 2.289 2.076 2.523 0.213 1 0 "[ . 1 . 2]" 1
39 1 19 LYS H 1 59 VAL MG1 3.510 . 5.220 4.124 3.753 4.473 . 0 0 "[ . 1 . 2]" 1
40 1 19 LYS H 1 79 GLN H 3.220 . 4.640 4.874 4.551 5.105 0.465 7 0 "[ . 1 . 2]" 1
41 1 19 LYS H 1 81 GLY H 2.440 . 3.080 2.664 2.275 3.098 0.018 16 0 "[ . 1 . 2]" 1
42 1 20 ASP H 1 21 ILE H 3.180 . 4.560 4.256 4.158 4.353 . 0 0 "[ . 1 . 2]" 1
43 1 20 ASP H 1 79 GLN H 2.650 . 3.500 3.466 3.009 3.670 0.170 4 0 "[ . 1 . 2]" 1
44 1 20 ASP H 1 81 GLY H 3.460 . 5.120 4.694 4.390 5.111 . 0 0 "[ . 1 . 2]" 1
45 1 21 ILE H 1 22 SER H 2.960 . 4.120 4.291 4.204 4.416 0.296 1 0 "[ . 1 . 2]" 1
46 1 21 ILE H 1 79 GLN H 3.510 . 5.220 4.692 4.493 4.931 . 0 0 "[ . 1 . 2]" 1
47 1 21 ILE H 2 23 PHE H 2.920 . 4.040 2.854 2.592 3.183 . 0 0 "[ . 1 . 2]" 1
48 1 21 ILE H 2 23 PHE QD 3.520 . 5.240 3.724 2.903 4.390 . 0 0 "[ . 1 . 2]" 1
49 1 21 ILE MD 1 78 VAL QG 3.500 . 5.200 3.172 2.781 3.497 . 0 0 "[ . 1 . 2]" 1
50 1 21 ILE MD 2 23 PHE QD 3.390 . 4.980 3.015 2.656 3.442 . 0 0 "[ . 1 . 2]" 1
51 1 21 ILE MD 2 117 MET ME 2.960 . 4.120 3.044 1.872 4.194 0.074 4 0 "[ . 1 . 2]" 1
52 1 22 SER H 1 23 PHE H 3.220 . 4.640 4.208 4.116 4.287 . 0 0 "[ . 1 . 2]" 1
53 1 22 SER H 1 77 GLU H 2.840 . 3.880 3.132 2.769 3.410 . 0 0 "[ . 1 . 2]" 1
54 1 22 SER H 1 78 VAL QG 3.370 . 4.940 3.217 2.939 3.765 . 0 0 "[ . 1 . 2]" 1
55 1 22 SER H 1 117 MET ME 3.250 . 4.700 3.802 2.669 7.006 2.306 5 4 "[ * + * 1- . 2]" 1
56 1 23 PHE H 1 24 GLU H 3.230 . 4.660 4.090 3.888 4.274 . 0 0 "[ . 1 . 2]" 1
57 1 23 PHE H 2 21 ILE H 2.310 . 2.820 2.699 2.461 2.934 0.114 5 0 "[ . 1 . 2]" 1
58 1 23 PHE QD 1 24 GLU H 2.400 . 3.000 3.562 3.233 4.136 1.136 16 11 "[*** ** 1**- *+ *]" 1
59 1 23 PHE QD 2 21 ILE H 3.020 . 4.240 3.261 2.693 4.135 . 0 0 "[ . 1 . 2]" 1
60 1 23 PHE QE 1 24 GLU H 2.950 . 4.100 4.693 4.308 5.320 1.220 16 10 "[*** ** 1*- *+ *]" 1
61 1 23 PHE QE 1 25 ALA MB 2.990 . 4.180 2.903 2.640 3.120 . 0 0 "[ . 1 . 2]" 1
62 1 23 PHE QE 1 121 GLY H 3.450 . 5.100 4.355 3.867 4.801 . 0 0 "[ . 1 . 2]" 1
63 1 23 PHE QE 1 123 PHE QD 3.450 . 5.100 3.464 3.137 3.971 . 0 0 "[ . 1 . 2]" 1
64 1 24 GLU H 1 25 ALA H 3.130 . 4.460 4.182 3.921 4.365 . 0 0 "[ . 1 . 2]" 1
65 1 24 GLU H 1 75 LEU H 2.570 . 3.340 2.846 2.405 3.450 0.110 15 0 "[ . 1 . 2]" 1
66 1 24 GLU H 1 76 CYS H 3.510 . 5.220 4.930 4.648 5.241 0.021 9 0 "[ . 1 . 2]" 1
67 1 24 GLU H 1 77 GLU H 3.410 . 5.020 5.368 4.979 5.862 0.842 9 5 "[- * *+1 . *2]" 1
68 1 24 GLU H 2 21 ILE H 3.520 . 5.240 4.866 4.628 5.028 . 0 0 "[ . 1 . 2]" 1
69 1 25 ALA H 1 75 LEU H 3.430 . 5.060 4.923 4.416 5.213 0.153 9 0 "[ . 1 . 2]" 1
70 1 25 ALA MB 1 28 ALA H 3.390 . 4.980 3.062 2.832 3.258 . 0 0 "[ . 1 . 2]" 1
71 1 25 ALA MB 1 28 ALA MB 3.020 . 4.240 1.859 1.547 2.002 0.253 6 0 "[ . 1 . 2]" 1
72 1 25 ALA MB 1 123 PHE QE 3.240 . 4.680 2.316 1.876 2.699 . 0 0 "[ . 1 . 2]" 1
73 1 27 ASN H 1 28 ALA H 2.520 . 3.240 2.621 2.338 2.833 . 0 0 "[ . 1 . 2]" 1
74 1 28 ALA H 1 30 HIS H 2.930 . 4.060 4.299 3.729 7.068 3.008 4 2 "[ +. - . 2]" 1
75 1 28 ALA MB 1 123 PHE QE 3.480 . 5.160 3.049 2.104 3.968 . 0 0 "[ . 1 . 2]" 1
76 1 28 ALA MB 2 17 TYR QD 3.360 . 4.920 2.811 2.126 3.397 . 0 0 "[ . 1 . 2]" 1
77 1 28 ALA MB 2 17 TYR QE 3.080 . 4.360 2.074 1.755 2.843 0.045 13 0 "[ . 1 . 2]" 1
78 1 30 HIS H 1 31 VAL H 2.300 . 2.800 2.435 2.155 2.854 0.054 4 0 "[ . 1 . 2]" 1
79 1 30 HIS H 1 32 PHE H 3.250 . 4.700 4.233 3.568 4.733 0.033 10 0 "[ . 1 . 2]" 1
80 1 31 VAL H 1 32 PHE H 2.370 . 2.940 2.658 2.354 2.943 0.003 16 0 "[ . 1 . 2]" 1
81 1 31 VAL H 1 33 GLN H 3.240 . 4.680 4.304 3.929 4.559 . 0 0 "[ . 1 . 2]" 1
82 1 31 VAL H 1 34 LYS H 3.340 . 4.880 5.004 4.576 6.020 1.140 10 2 "[ -. + . 2]" 1
83 1 31 VAL QG 1 32 PHE H 2.410 . 3.020 2.966 2.370 3.525 0.505 6 1 "[ .+ 1 . 2]" 1
84 1 32 PHE H 1 33 GLN H 2.340 . 2.880 2.589 2.369 2.781 . 0 0 "[ . 1 . 2]" 1
85 1 32 PHE H 1 34 LYS H 3.080 . 4.360 4.045 3.601 4.497 0.137 10 0 "[ . 1 . 2]" 1
86 1 32 PHE QD 1 33 GLN H 3.270 . 4.740 3.989 3.729 4.778 0.038 10 0 "[ . 1 . 2]" 1
87 1 33 GLN H 1 34 LYS H 2.070 . 2.340 2.386 2.217 2.588 0.248 16 0 "[ . 1 . 2]" 1
88 1 34 LYS H 1 35 ASP H 3.340 . 4.880 4.604 4.542 4.675 . 0 0 "[ . 1 . 2]" 1
89 1 35 ASP H 1 36 TRP H 3.310 . 4.820 4.532 4.412 4.633 . 0 0 "[ . 1 . 2]" 1
90 1 35 ASP H 1 37 GLN H 3.440 . 5.080 5.489 4.871 6.232 1.152 4 8 "[ * +* ** * .- * 2]" 1
91 1 35 ASP H 1 68 LEU QD 2.450 . 3.100 3.685 2.124 4.922 1.822 5 11 "[ * *+ -****** . * 2]" 1
92 1 36 TRP H 1 37 GLN H 2.800 . 3.800 3.838 3.536 4.164 0.364 10 0 "[ . 1 . 2]" 1
93 1 36 TRP HE3 1 37 GLN H 3.180 . 4.560 5.677 4.181 6.638 2.078 16 15 "[****-* ** **+****]" 1
94 1 39 GLU H 1 40 VAL H 2.880 . 3.960 4.262 3.968 4.486 0.526 16 3 "[ * . 1 .+ - 2]" 1
95 1 39 GLU H 1 66 ALA MB 2.880 . 3.960 4.271 3.720 4.764 0.804 4 7 "[* -+. * 1 . ***2]" 1
96 1 39 GLU H 1 67 SER H 1.930 . 2.060 2.711 2.303 3.236 1.176 18 15 "[* **** * **** .**+*-]" 1
97 1 39 GLU H 1 68 LEU H 3.370 . 4.940 4.704 3.782 5.596 0.656 3 2 "[ + . - 1 . 2]" 1
98 1 39 GLU H 1 69 GLY H 3.510 . 5.220 4.627 3.727 5.751 0.531 3 1 "[ + . 1 . 2]" 1
99 1 40 VAL H 1 41 LYS H 3.280 . 4.760 4.184 3.999 4.478 . 0 0 "[ . 1 . 2]" 1
100 1 40 VAL H 1 67 SER H 3.480 . 5.160 5.131 4.604 5.496 0.336 11 0 "[ . 1 . 2]" 1
101 1 40 VAL QG 1 41 LYS H 2.690 . 3.580 3.261 2.675 3.753 0.173 11 0 "[ . 1 . 2]" 1
102 1 40 VAL QG 1 42 LEU QD 3.330 . 4.860 3.413 2.145 4.473 . 0 0 "[ . 1 . 2]" 1
103 1 40 VAL QG 1 64 VAL QG 2.930 . 4.060 2.588 1.905 3.571 . 0 0 "[ . 1 . 2]" 1
104 1 40 VAL QG 1 126 LEU QD . . 2.980 2.580 1.635 3.527 0.547 1 1 "[+ . 1 . 2]" 1
105 1 40 VAL QG 1 128 LEU QD 3.140 . 4.480 3.596 2.267 5.268 0.788 6 1 "[ .+ 1 . 2]" 1
106 1 41 LYS H 1 42 LEU H 3.270 . 4.740 4.438 4.298 4.616 . 0 0 "[ . 1 . 2]" 1
107 1 41 LYS H 1 64 VAL QG 2.960 . 4.120 4.583 3.621 5.304 1.184 5 13 "[-***+ * ** ** ***]" 1
108 1 41 LYS H 1 65 THR H 2.270 . 2.740 3.484 3.068 3.874 1.134 10 18 "[- *******+****** ***]" 1
109 1 42 LEU H 1 43 ASP H 3.220 . 4.640 4.300 3.941 4.578 . 0 0 "[ . 1 . 2]" 1
110 1 42 LEU QD 1 128 LEU QD 3.160 . 3.340 2.174 1.598 3.930 0.590 14 1 "[ . 1 +. 2]" 1
111 1 43 ASP H 1 44 LEU H 2.980 . 4.160 4.385 4.248 4.526 0.366 19 0 "[ . 1 . 2]" 1
112 1 43 ASP H 1 44 LEU QD 3.260 . 4.720 4.454 3.411 5.776 1.056 20 3 "[ .* 1 . - +]" 1
113 1 43 ASP H 1 63 THR H 2.780 . 3.760 3.099 2.543 3.946 0.186 15 0 "[ . 1 . 2]" 1
114 1 44 LEU H 1 45 ASP H 3.280 . 4.760 4.333 4.204 4.449 . 0 0 "[ . 1 . 2]" 1
115 1 44 LEU QD 1 45 ASP H 3.520 . 5.240 3.547 1.960 4.497 . 0 0 "[ . 1 . 2]" 1
116 1 45 ASP H 1 46 THR H 3.010 . 4.220 4.329 4.107 4.475 0.255 12 0 "[ . 1 . 2]" 1
117 1 45 ASP H 1 60 LEU MD2 2.880 . 3.960 3.105 2.729 3.540 . 0 0 "[ . 1 . 2]" 1
118 1 45 ASP H 1 61 ARG H 2.790 . 3.780 3.581 3.039 4.236 0.456 13 0 "[ . 1 . 2]" 1
119 1 46 THR H 1 47 ALA H 3.260 . 4.720 4.340 4.209 4.492 . 0 0 "[ . 1 . 2]" 1
120 1 46 THR H 1 61 ARG H 3.510 . 5.220 4.738 4.398 5.078 . 0 0 "[ . 1 . 2]" 1
121 1 47 ALA H 1 48 SER H 3.220 . 4.640 4.251 3.955 4.414 . 0 0 "[ . 1 . 2]" 1
122 1 47 ALA H 1 58 VAL QG 2.840 . 3.880 3.791 3.292 4.736 0.856 10 3 "[ *. + . - 2]" 1
123 1 47 ALA H 1 59 VAL H 2.670 . 3.540 3.190 2.719 3.605 0.065 12 0 "[ . 1 . 2]" 1
124 1 47 ALA H 1 61 ARG H 3.460 . 5.120 4.515 4.037 5.015 . 0 0 "[ . 1 . 2]" 1
125 1 47 ALA MB 1 48 SER H 2.670 . 3.540 2.969 2.543 3.463 . 0 0 "[ . 1 . 2]" 1
126 1 47 ALA MB 1 59 VAL H 2.890 . 3.980 3.536 3.012 4.059 0.079 9 0 "[ . 1 . 2]" 1
127 1 48 SER H 1 49 SER H 3.240 . 4.680 4.500 4.400 4.610 . 0 0 "[ . 1 . 2]" 1
128 1 49 SER H 1 50 GLN H 3.120 . 4.440 4.140 3.913 4.349 . 0 0 "[ . 1 . 2]" 1
129 1 49 SER H 1 57 GLU H 2.800 . 3.800 3.326 2.644 4.085 0.285 20 0 "[ . 1 . 2]" 1
130 1 49 SER H 1 58 VAL QG 3.400 . 5.000 3.884 3.501 4.232 . 0 0 "[ . 1 . 2]" 1
131 1 50 GLN H 1 51 LEU H 3.200 . 4.600 4.412 4.279 4.582 . 0 0 "[ . 1 . 2]" 1
132 1 50 GLN H 1 57 GLU H 3.330 . 4.860 4.832 4.396 5.078 0.218 15 0 "[ . 1 . 2]" 1
133 1 51 LEU H 1 52 ALA H 2.080 . 2.360 2.214 1.959 2.421 0.061 13 0 "[ . 1 . 2]" 1
134 1 51 LEU H 1 55 VAL H 3.380 . 4.960 4.829 4.620 5.184 0.224 3 0 "[ . 1 . 2]" 1
135 1 51 LEU H 1 55 VAL MG1 3.080 . 4.360 3.435 3.028 3.798 . 0 0 "[ . 1 . 2]" 1
136 1 51 LEU H 1 56 TYR H 3.410 . 5.020 4.698 4.291 4.941 . 0 0 "[ . 1 . 2]" 1
137 1 51 LEU H 1 57 GLU H 2.800 . 3.800 3.750 3.069 4.572 0.772 1 2 "[+ -. 1 . 2]" 1
138 1 51 LEU MD1 1 55 VAL MG1 3.010 . 4.220 2.272 1.922 2.605 . 0 0 "[ . 1 . 2]" 1
139 1 51 LEU MD1 1 57 GLU H 3.420 . 5.040 3.869 3.274 4.375 . 0 0 "[ . 1 . 2]" 1
140 1 51 LEU MD1 1 83 ILE MD 2.640 . 3.480 2.462 2.214 2.784 . 0 0 "[ . 1 . 2]" 1
141 1 51 LEU MD2 1 57 GLU H 3.090 . 4.380 3.868 3.171 4.241 . 0 0 "[ . 1 . 2]" 1
142 1 52 ALA H 1 53 ASP H 3.170 . 4.540 4.356 4.321 4.390 . 0 0 "[ . 1 . 2]" 1
143 1 52 ALA H 1 55 VAL H 2.870 . 3.940 3.534 3.274 3.724 . 0 0 "[ . 1 . 2]" 1
144 1 52 ALA H 1 55 VAL MG1 2.930 . 4.060 3.356 2.993 3.706 . 0 0 "[ . 1 . 2]" 1
145 1 52 ALA H 1 55 VAL MG2 3.230 . 4.660 4.043 3.659 4.536 . 0 0 "[ . 1 . 2]" 1
146 1 52 ALA MB 1 53 ASP H 2.310 . 2.820 2.088 1.955 2.274 . 0 0 "[ . 1 . 2]" 1
147 1 52 ALA MB 1 55 VAL MG2 3.160 . 4.520 2.261 2.006 2.972 . 0 0 "[ . 1 . 2]" 1
148 1 53 ASP H 1 54 ASP H 3.280 . 4.760 4.478 4.359 4.572 . 0 0 "[ . 1 . 2]" 1
149 1 53 ASP H 1 55 VAL H 3.430 . 5.060 4.193 3.963 4.622 . 0 0 "[ . 1 . 2]" 1
150 1 53 ASP H 1 55 VAL MG2 3.510 . 5.220 4.059 3.319 4.493 . 0 0 "[ . 1 . 2]" 1
151 1 54 ASP H 1 55 VAL H 2.300 . 2.800 2.758 2.550 2.920 0.120 3 0 "[ . 1 . 2]" 1
152 1 54 ASP H 1 56 TYR QE 3.390 . 4.980 6.027 2.606 8.408 3.428 10 12 "[* *.- * + **** ** *]" 1
153 1 55 VAL H 1 56 TYR H 3.100 . 4.400 4.185 3.933 4.338 . 0 0 "[ . 1 . 2]" 1
154 1 55 VAL H 1 56 TYR QD 3.240 . 4.680 4.656 3.334 5.671 0.991 1 7 "[+ *. * * - * *]" 1
155 1 55 VAL H 1 56 TYR QE 3.070 . 4.340 5.914 3.611 7.794 3.454 1 13 "[+ *-* * * **** ** *]" 1
156 1 55 VAL MG1 1 56 TYR H 2.720 . 3.640 3.044 2.903 3.163 . 0 0 "[ . 1 . 2]" 1
157 1 55 VAL MG2 1 56 TYR H 3.490 . 5.180 4.235 4.107 4.382 . 0 0 "[ . 1 . 2]" 1
158 1 56 TYR H 1 57 GLU H 3.150 . 4.500 4.321 4.097 4.462 . 0 0 "[ . 1 . 2]" 1
159 1 56 TYR H 1 84 PHE H 2.540 . 3.280 3.476 3.038 4.138 0.858 19 2 "[ . - . +2]" 1
160 1 56 TYR H 1 85 SER H 3.450 . 5.100 5.043 4.567 5.363 0.263 7 0 "[ . 1 . 2]" 1
161 1 56 TYR H 1 86 ILE H 3.370 . 4.940 3.872 3.000 4.694 . 0 0 "[ . 1 . 2]" 1
162 1 56 TYR QD 1 57 GLU H 3.480 . 5.160 3.830 2.816 4.728 . 0 0 "[ . 1 . 2]" 1
163 1 56 TYR QD 1 86 ILE H 3.520 . 5.240 3.639 2.585 5.885 0.645 20 1 "[ . 1 . +]" 1
164 1 56 TYR QD 1 86 ILE MD 3.490 . 5.180 4.295 2.145 6.508 1.328 18 2 "[ .- 1 . + 2]" 1
165 1 56 TYR QE 1 86 ILE H 3.380 . 4.960 4.427 1.818 7.927 2.967 20 2 "[- . 1 . +]" 1
166 1 56 TYR QE 1 86 ILE MD 3.400 . 5.000 3.895 2.000 5.646 0.646 11 1 "[ . 1+ . 2]" 1
167 1 57 GLU H 1 58 VAL H 3.180 . 4.560 4.362 4.109 4.533 . 0 0 "[ . 1 . 2]" 1
168 1 57 GLU H 1 84 PHE H 3.460 . 5.120 4.744 4.413 5.011 . 0 0 "[ . 1 . 2]" 1
169 1 58 VAL H 1 59 VAL H 3.210 . 4.620 4.276 4.146 4.459 . 0 0 "[ . 1 . 2]" 1
170 1 58 VAL H 1 82 GLY H 2.680 . 3.560 3.168 2.664 4.084 0.524 18 1 "[ . 1 . + 2]" 1
171 1 58 VAL H 1 83 ILE H 3.380 . 4.960 5.184 4.752 6.013 1.053 16 2 "[ . 1 .+ - 2]" 1
172 1 58 VAL H 1 84 PHE H 2.940 . 4.080 4.395 3.921 4.924 0.844 8 6 "[ *. + 1 *- .** 2]" 1
173 1 58 VAL QG 1 59 VAL H 2.660 . 3.520 2.869 2.489 3.560 0.040 17 0 "[ . 1 . 2]" 1
174 1 58 VAL QG 1 84 PHE H 3.360 . 4.920 4.699 4.129 5.433 0.513 16 1 "[ . 1 .+ 2]" 1
175 1 58 VAL QG 1 84 PHE QD 3.410 . 5.020 2.445 2.010 3.106 . 0 0 "[ . 1 . 2]" 1
176 1 58 VAL QG 1 98 LEU QD 2.610 . 3.100 2.890 2.127 3.729 0.629 20 2 "[ . 1 - +]" 1
177 1 59 VAL H 1 60 LEU H 3.150 . 4.500 4.405 4.264 4.506 0.006 3 0 "[ . 1 . 2]" 1
178 1 59 VAL H 1 82 GLY H 3.390 . 4.980 4.860 4.663 5.289 0.309 16 0 "[ . 1 . 2]" 1
179 1 59 VAL MG1 1 60 LEU H 2.830 . 3.860 2.555 2.261 2.769 . 0 0 "[ . 1 . 2]" 1
180 1 59 VAL MG1 1 81 GLY H 3.430 . 5.060 3.573 3.243 4.046 . 0 0 "[ . 1 . 2]" 1
181 1 59 VAL MG2 1 82 GLY H 3.260 . 4.720 3.612 2.953 4.170 . 0 0 "[ . 1 . 2]" 1
182 1 60 LEU H 1 61 ARG H 3.230 . 4.660 4.203 4.018 4.325 . 0 0 "[ . 1 . 2]" 1
183 1 60 LEU H 1 80 GLN H 3.170 . 4.540 3.561 3.190 4.054 . 0 0 "[ . 1 . 2]" 1
184 1 60 LEU H 1 81 GLY H 3.480 . 5.160 4.575 4.368 4.896 . 0 0 "[ . 1 . 2]" 1
185 1 60 LEU H 1 82 GLY H 3.180 . 4.560 4.915 4.309 5.693 1.133 16 6 "[ * *- *1 * .+ 2]" 1
186 1 60 LEU MD1 1 62 VAL MG2 2.960 . 4.120 2.083 1.831 2.648 . 0 0 "[ . 1 . 2]" 1
187 1 60 LEU MD1 1 110 ALA MB 3.400 . 5.000 2.377 2.056 2.902 . 0 0 "[ . 1 . 2]" 1
188 1 60 LEU MD2 1 61 ARG H 2.440 . 3.080 2.481 2.367 2.597 . 0 0 "[ . 1 . 2]" 1
189 1 60 LEU MD2 1 62 VAL H 3.350 . 4.900 3.482 3.124 4.243 . 0 0 "[ . 1 . 2]" 1
190 1 60 LEU MD2 1 62 VAL MG2 2.500 . 3.200 2.155 1.807 2.703 . 0 0 "[ . 1 . 2]" 1
191 1 61 ARG H 1 62 VAL H 3.160 . 4.520 4.173 4.060 4.444 . 0 0 "[ . 1 . 2]" 1
192 1 61 ARG H 1 62 VAL MG2 3.490 . 5.180 4.342 3.989 4.576 . 0 0 "[ . 1 . 2]" 1
193 1 62 VAL H 1 63 THR H 3.030 . 4.260 4.422 4.266 4.536 0.276 5 0 "[ . 1 . 2]" 1
194 1 62 VAL H 1 78 VAL H 3.000 . 4.200 3.203 2.874 3.519 . 0 0 "[ . 1 . 2]" 1
195 1 62 VAL H 1 80 GLN H 3.110 . 4.420 4.068 3.781 4.556 0.136 8 0 "[ . 1 . 2]" 1
196 1 62 VAL MG1 1 63 THR H 3.000 . 4.200 2.640 2.441 2.926 . 0 0 "[ . 1 . 2]" 1
197 1 62 VAL MG1 1 64 VAL QG 3.080 . 4.360 2.310 2.160 2.601 . 0 0 "[ . 1 . 2]" 1
198 1 62 VAL MG1 1 114 ILE MD 2.620 . 3.440 2.196 1.971 2.350 . 0 0 "[ . 1 . 2]" 1
199 1 62 VAL MG2 1 110 ALA MB 2.950 . 4.100 2.030 1.866 2.247 . 0 0 "[ . 1 . 2]" 1
200 1 62 VAL MG2 1 114 ILE MD 3.310 . 4.820 3.072 2.833 3.336 . 0 0 "[ . 1 . 2]" 1
201 1 63 THR H 1 64 VAL H 3.280 . 4.760 4.250 4.003 4.460 . 0 0 "[ . 1 . 2]" 1
202 1 64 VAL H 1 65 THR H 3.000 . 4.200 4.086 3.843 4.452 0.252 1 0 "[ . 1 . 2]" 1
203 1 64 VAL H 1 75 LEU MD1 2.770 . 3.740 3.191 2.792 3.818 0.078 1 0 "[ . 1 . 2]" 1
204 1 64 VAL H 1 76 CYS H 2.750 . 3.700 3.133 2.841 3.746 0.046 13 0 "[ . 1 . 2]" 1
205 1 64 VAL H 1 77 GLU H 3.490 . 5.180 4.792 4.498 5.089 . 0 0 "[ . 1 . 2]" 1
206 1 64 VAL H 1 78 VAL H 3.420 . 5.040 5.161 4.600 5.606 0.566 15 1 "[ . 1 + 2]" 1
207 1 64 VAL QG 1 65 THR H 2.900 . 4.000 3.082 2.540 3.249 . 0 0 "[ . 1 . 2]" 1
208 1 64 VAL QG 1 76 CYS H 3.430 . 5.060 3.638 3.454 3.844 . 0 0 "[ . 1 . 2]" 1
209 1 64 VAL QG 1 114 ILE MD 3.410 . 5.020 1.953 1.832 2.094 . 0 0 "[ . 1 . 2]" 1
210 1 64 VAL QG 1 126 LEU QD 2.340 . 2.880 2.325 1.696 3.714 0.834 10 2 "[ . - + . 2]" 1
211 1 65 THR H 1 66 ALA H 3.280 . 4.760 4.428 4.275 4.507 . 0 0 "[ . 1 . 2]" 1
212 1 65 THR H 1 75 LEU MD1 3.060 . 4.320 3.945 3.562 4.451 0.131 1 0 "[ . 1 . 2]" 1
213 1 65 THR H 1 76 CYS H 3.460 . 5.120 4.918 4.699 5.047 . 0 0 "[ . 1 . 2]" 1
214 1 66 ALA H 1 67 SER H 2.960 . 4.120 4.094 3.905 4.326 0.206 8 0 "[ . 1 . 2]" 1
215 1 66 ALA H 1 73 ALA H 3.190 . 4.580 4.456 4.196 4.786 0.206 20 0 "[ . 1 . 2]" 1
216 1 66 ALA H 1 74 PHE H 2.680 . 3.560 3.352 3.072 3.676 0.116 9 0 "[ . 1 . 2]" 1
217 1 66 ALA H 1 75 LEU H 3.470 . 5.140 5.149 4.815 5.481 0.341 10 0 "[ . 1 . 2]" 1
218 1 66 ALA H 1 75 LEU MD1 3.420 . 5.040 4.191 3.887 4.581 . 0 0 "[ . 1 . 2]" 1
219 1 66 ALA H 1 76 CYS H 3.380 . 4.960 5.250 4.746 5.734 0.774 11 3 "[ - *+ . 2]" 1
220 1 66 ALA MB 1 67 SER H 3.040 . 4.280 3.348 3.077 3.583 . 0 0 "[ . 1 . 2]" 1
221 1 66 ALA MB 1 73 ALA H 3.470 . 5.140 3.596 3.185 3.864 . 0 0 "[ . 1 . 2]" 1
222 1 66 ALA MB 1 73 ALA MB 3.340 . 4.880 2.217 1.934 2.454 . 0 0 "[ . 1 . 2]" 1
223 1 66 ALA MB 1 74 PHE H 2.940 . 4.080 2.503 2.132 2.680 . 0 0 "[ . 1 . 2]" 1
224 1 66 ALA MB 1 74 PHE QD 2.820 . 3.840 2.972 1.982 3.252 . 0 0 "[ . 1 . 2]" 1
225 1 66 ALA MB 1 74 PHE QE 2.390 . 2.980 2.788 2.024 3.017 0.037 2 0 "[ . 1 . 2]" 1
226 1 66 ALA MB 1 126 LEU QD 3.380 . 4.960 4.227 3.293 5.271 0.311 3 0 "[ . 1 . 2]" 1
227 1 67 SER H 1 68 LEU H 3.200 . 4.600 4.332 4.145 4.493 . 0 0 "[ . 1 . 2]" 1
228 1 67 SER H 1 69 GLY H 3.380 . 4.960 5.474 4.922 6.207 1.247 17 9 "[*** . * ** *. + -]" 1
229 1 67 SER H 1 73 ALA H 3.170 . 4.540 4.477 4.005 4.850 0.310 11 0 "[ . 1 . 2]" 1
230 1 68 LEU H 1 69 GLY H 2.730 . 3.660 3.792 3.321 3.980 0.320 16 0 "[ . 1 . 2]" 1
231 1 68 LEU H 1 71 GLU H 3.200 . 4.600 4.059 3.421 4.642 0.042 16 0 "[ . 1 . 2]" 1
232 1 68 LEU H 1 73 ALA H 2.700 . 3.600 3.465 2.390 3.992 0.392 19 0 "[ . 1 . 2]" 1
233 1 68 LEU H 1 73 ALA MB 2.960 . 4.120 3.946 3.085 4.754 0.634 2 1 "[ + . 1 . 2]" 1
234 1 68 LEU QD 1 73 ALA H 3.180 . 4.560 4.375 2.549 6.184 1.624 9 7 "[-***. +1 ** 2]" 1
235 1 68 LEU QD 1 73 ALA MB 2.650 . 3.500 3.230 1.727 5.114 1.614 9 7 "[****. +1 -* 2]" 1
236 1 69 GLY H 1 70 GLU H 3.020 . 4.240 4.243 3.946 4.535 0.295 17 0 "[ . 1 . 2]" 1
237 1 69 GLY H 1 71 GLU H 3.360 . 4.920 4.767 4.271 5.016 0.096 17 0 "[ . 1 . 2]" 1
238 1 70 GLU H 1 71 GLU H 1.930 . 2.060 2.101 1.747 2.419 0.359 14 0 "[ . 1 . 2]" 1
239 1 71 GLU H 1 72 THR H 3.260 . 4.720 4.358 3.932 4.574 . 0 0 "[ . 1 . 2]" 1
240 1 72 THR H 1 73 ALA H 3.300 . 4.800 4.502 4.332 4.623 . 0 0 "[ . 1 . 2]" 1
241 1 73 ALA H 1 74 PHE H 2.110 . 2.420 2.663 2.364 2.902 0.482 14 0 "[ . 1 . 2]" 1
242 1 73 ALA MB 1 74 PHE H 2.620 . 3.440 2.099 1.897 2.257 . 0 0 "[ . 1 . 2]" 1
243 1 73 ALA MB 1 74 PHE QD 3.220 . 4.640 2.663 2.344 3.313 . 0 0 "[ . 1 . 2]" 1
244 1 73 ALA MB 1 74 PHE QE 3.450 . 5.100 3.504 3.069 3.990 . 0 0 "[ . 1 . 2]" 1
245 1 74 PHE H 1 75 LEU H 3.040 . 4.280 4.330 4.081 4.397 0.117 14 0 "[ . 1 . 2]" 1
246 1 74 PHE QD 1 75 LEU H 3.340 . 4.880 3.467 2.797 4.597 . 0 0 "[ . 1 . 2]" 1
247 1 74 PHE QD 1 123 PHE QD 3.000 . 4.200 3.201 2.427 3.781 . 0 0 "[ . 1 . 2]" 1
248 1 74 PHE QD 1 123 PHE QE 3.170 . 4.540 3.224 2.690 3.842 . 0 0 "[ . 1 . 2]" 1
249 1 74 PHE QE 1 123 PHE QD 3.300 . 4.800 3.563 2.443 4.260 . 0 0 "[ . 1 . 2]" 1
250 1 74 PHE QE 1 126 LEU QD 3.500 . 5.200 3.087 1.623 4.515 0.177 13 0 "[ . 1 . 2]" 1
251 1 75 LEU H 1 76 CYS H 3.150 . 4.500 4.291 3.933 4.460 . 0 0 "[ . 1 . 2]" 1
252 1 75 LEU MD1 1 76 CYS H 2.650 . 3.500 2.050 1.717 2.882 0.083 5 0 "[ . 1 . 2]" 1
253 1 76 CYS H 1 77 GLU H 3.220 . 4.640 4.122 3.757 4.386 . 0 0 "[ . 1 . 2]" 1
254 1 77 GLU H 1 78 VAL H 3.090 . 4.380 4.203 4.060 4.402 0.022 16 0 "[ . 1 . 2]" 1
255 1 77 GLU H 1 78 VAL QG 3.280 . 4.760 3.461 3.305 3.782 . 0 0 "[ . 1 . 2]" 1
256 1 77 GLU H 1 117 MET ME 3.350 . 4.900 3.823 2.118 8.377 3.477 5 4 "[ * + * 1- . 2]" 1
257 1 78 VAL H 1 79 GLN H 3.220 . 4.640 4.064 3.838 4.313 . 0 0 "[ . 1 . 2]" 1
258 1 78 VAL H 1 114 ILE MD 3.370 . 4.940 3.324 2.972 3.791 . 0 0 "[ . 1 . 2]" 1
259 1 78 VAL QG 1 79 GLN H 2.420 . 3.040 2.980 2.634 3.186 0.146 19 0 "[ . 1 . 2]" 1
260 1 78 VAL QG 1 80 GLN H 2.950 . 4.100 2.821 2.521 3.049 . 0 0 "[ . 1 . 2]" 1
261 1 78 VAL QG 1 114 ILE H 3.240 . 4.580 2.999 2.839 3.179 . 0 0 "[ . 1 . 2]" 1
262 1 78 VAL QG 1 114 ILE MD 3.460 . 5.120 3.048 2.657 3.286 . 0 0 "[ . 1 . 2]" 1
263 1 78 VAL QG 1 117 MET ME 2.580 . 3.360 2.920 2.021 5.080 1.720 11 5 "[ * * * 1+ - . 2]" 1
264 1 79 GLN H 1 80 GLN H 2.860 . 3.920 3.938 3.821 4.065 0.145 8 0 "[ . 1 . 2]" 1
265 1 80 GLN H 1 81 GLY H 3.170 . 4.540 4.250 4.090 4.392 . 0 0 "[ . 1 . 2]" 1
266 1 80 GLN H 1 110 ALA MB 3.110 . 4.410 3.449 3.271 3.706 . 0 0 "[ . 1 . 2]" 1
267 1 81 GLY H 1 82 GLY H 3.300 . 4.800 4.547 4.475 4.600 . 0 0 "[ . 1 . 2]" 1
268 1 82 GLY H 1 83 ILE H 3.160 . 4.520 4.120 3.966 4.251 . 0 0 "[ . 1 . 2]" 1
269 1 83 ILE H 1 84 PHE H 3.240 . 4.680 4.474 4.326 4.546 . 0 0 "[ . 1 . 2]" 1
270 1 84 PHE H 1 85 SER H 3.190 . 4.580 4.268 4.124 4.435 . 0 0 "[ . 1 . 2]" 1
271 1 84 PHE QD 1 85 SER H 3.390 . 4.980 4.298 3.784 4.568 . 0 0 "[ . 1 . 2]" 1
272 1 85 SER H 1 86 ILE H 2.920 . 4.040 4.274 3.995 4.539 0.499 15 0 "[ . 1 . 2]" 1
273 1 86 ILE H 1 87 ALA H 3.230 . 4.660 4.423 4.055 4.580 . 0 0 "[ . 1 . 2]" 1
274 1 86 ILE MD 1 87 ALA H 3.410 . 5.020 3.320 1.532 5.431 0.411 2 0 "[ . 1 . 2]" 1
275 1 87 ALA H 1 88 GLY H 3.200 . 4.600 4.292 4.198 4.363 . 0 0 "[ . 1 . 2]" 1
276 1 87 ALA H 1 89 ILE H 3.530 . 5.250 4.272 3.674 4.893 . 0 0 "[ . 1 . 2]" 1
277 1 87 ALA MB 1 88 GLY H 2.430 . 3.060 2.630 2.021 3.177 0.117 17 0 "[ . 1 . 2]" 1
278 1 88 GLY H 1 89 ILE H 2.280 . 2.760 2.725 2.173 3.119 0.359 8 0 "[ . 1 . 2]" 1
279 1 89 ILE H 1 90 GLU H 3.220 . 4.640 4.447 4.339 4.533 . 0 0 "[ . 1 . 2]" 1
280 1 90 GLU H 1 91 GLY H 3.170 . 4.540 4.374 4.226 4.455 . 0 0 "[ . 1 . 2]" 1
281 1 90 GLU H 1 93 GLN H 3.500 . 5.200 5.070 3.780 6.084 0.884 15 4 "[ . * 1 *+ - 2]" 1
282 1 90 GLU H 1 94 MET H 3.290 . 4.780 4.134 3.014 4.886 0.106 10 0 "[ . 1 . 2]" 1
283 1 91 GLY H 1 92 THR H 3.300 . 4.800 4.606 4.456 4.665 . 0 0 "[ . 1 . 2]" 1
284 1 91 GLY H 1 94 MET H 2.880 . 3.960 4.445 4.074 4.886 0.926 14 10 "[ - * * ** +*** *2]" 1
285 1 91 GLY H 1 95 ALA H 3.380 . 4.960 5.140 4.723 5.760 0.800 4 3 "[ +. 1- * 2]" 1
286 1 92 THR H 1 93 GLN H 2.440 . 3.080 2.624 2.479 2.791 . 0 0 "[ . 1 . 2]" 1
287 1 92 THR H 1 94 MET H 3.140 . 4.480 4.533 4.174 5.069 0.589 16 1 "[ . 1 .+ 2]" 1
288 1 93 GLN H 1 94 MET H 2.380 . 2.960 2.737 2.487 3.053 0.093 16 0 "[ . 1 . 2]" 1
289 1 93 GLN H 1 95 ALA H 3.350 . 4.900 3.890 3.572 4.248 . 0 0 "[ . 1 . 2]" 1
290 1 93 GLN H 1 96 HIS H 3.400 . 5.000 4.937 4.410 5.797 0.797 10 3 "[ . + - * 2]" 1
291 1 94 MET H 1 95 ALA H 2.410 . 3.020 2.532 2.362 2.848 . 0 0 "[ . 1 . 2]" 1
292 1 94 MET H 1 96 HIS H 2.940 . 4.080 4.240 3.820 4.764 0.684 10 3 "[ . + * .- 2]" 1
293 1 94 MET H 1 97 CYS H 3.310 . 4.820 4.949 4.420 6.043 1.223 10 2 "[ . + - . 2]" 1
294 1 94 MET ME 1 98 LEU H 3.160 . 4.520 5.454 2.926 8.002 3.482 14 12 "[*** * *-1 *+* ***]" 1
295 1 94 MET ME 1 98 LEU QD 2.750 . 3.700 3.405 1.724 7.356 3.656 14 5 "[ * * 1 -+* 2]" 1
296 1 95 ALA H 1 96 HIS H 2.330 . 2.860 2.735 2.553 2.883 0.023 18 0 "[ . 1 . 2]" 1
297 1 95 ALA H 1 97 CYS H 3.220 . 4.640 4.130 3.781 4.516 . 0 0 "[ . 1 . 2]" 1
298 1 95 ALA H 1 98 LEU H 3.470 . 5.140 5.191 4.729 6.014 0.874 14 3 "[ * 1 - +. 2]" 1
299 1 95 ALA MB 1 96 HIS H 2.720 . 3.640 2.755 2.229 3.092 . 0 0 "[ . 1 . 2]" 1
300 1 96 HIS H 1 97 CYS H 2.250 . 2.700 2.525 2.321 2.729 0.029 20 0 "[ . 1 . 2]" 1
301 1 96 HIS H 1 98 LEU H 3.070 . 4.340 4.384 3.654 4.734 0.394 16 0 "[ . 1 . 2]" 1
302 1 96 HIS H 1 99 GLY H 3.390 . 4.980 4.869 4.170 6.022 1.042 12 1 "[ . 1 + . 2]" 1
303 1 97 CYS H 1 98 LEU H 2.340 . 2.880 2.745 2.411 3.013 0.133 12 0 "[ . 1 . 2]" 1
304 1 97 CYS H 1 99 GLY H 2.920 . 4.040 3.943 3.502 4.596 0.556 12 1 "[ . 1 + . 2]" 1
305 1 97 CYS H 1 100 ALA H 3.390 . 4.980 4.978 4.633 5.936 0.956 12 2 "[ - 1 + . 2]" 1
306 1 97 CYS H 1 101 TYR H 3.480 . 5.160 5.085 4.573 6.211 1.051 12 3 "[ -* 1 + . 2]" 1
307 1 98 LEU H 1 99 GLY H 2.300 . 2.800 2.541 2.136 2.875 0.075 12 0 "[ . 1 . 2]" 1
308 1 98 LEU H 1 100 ALA H 3.030 . 4.260 4.251 3.846 4.953 0.693 12 1 "[ . 1 + . 2]" 1
309 1 98 LEU H 1 102 CYS H 3.330 . 4.860 4.958 4.562 5.660 0.800 12 1 "[ . 1 + . 2]" 1
310 1 99 GLY H 1 100 ALA H 2.050 . 2.300 2.358 2.100 2.542 0.242 1 0 "[ . 1 . 2]" 1
311 1 99 GLY H 1 100 ALA MB 3.340 . 4.880 4.148 3.800 4.640 . 0 0 "[ . 1 . 2]" 1
312 1 99 GLY H 1 101 TYR H 3.240 . 4.680 4.116 3.702 4.810 0.130 10 0 "[ . 1 . 2]" 1
313 1 99 GLY H 1 102 CYS H 3.290 . 4.780 4.743 4.408 5.480 0.700 13 1 "[ . 1 + . 2]" 1
314 1 100 ALA H 1 101 TYR H 2.330 . 2.860 2.266 1.906 2.787 . 0 0 "[ . 1 . 2]" 1
315 1 100 ALA H 1 102 CYS H 2.610 . 3.420 3.617 3.018 4.090 0.670 17 2 "[ - 1 . + 2]" 1
316 1 100 ALA MB 1 101 TYR H 2.280 . 2.760 2.364 2.023 2.859 0.099 4 0 "[ . 1 . 2]" 1
317 1 100 ALA MB 1 133 PHE H 3.300 . 4.800 5.107 2.289 7.570 2.770 10 10 "[** * **+ ** .*- 2]" 1
318 1 100 ALA MB 1 133 PHE QD 3.180 . 4.560 4.373 1.923 8.430 3.870 10 5 "[ * * + * . - 2]" 1
319 1 100 ALA MB 1 134 ASP H 3.030 . 4.260 4.304 1.886 7.549 3.289 1 6 "[+ - * * * .* 2]" 1
320 1 101 TYR H 1 102 CYS H 2.410 . 3.020 2.822 2.592 3.191 0.171 2 0 "[ . 1 . 2]" 1
321 1 101 TYR QD 1 102 CYS H 3.050 . 4.300 3.155 2.562 3.580 . 0 0 "[ . 1 . 2]" 1
322 1 101 TYR QD 1 105 ILE MD 3.410 . 5.020 4.464 2.973 6.990 1.970 18 5 "[ .* 1 * - + *]" 1
323 1 101 TYR QE 1 105 ILE MD 2.840 . 3.880 3.769 2.506 6.459 2.579 18 5 "[ .* 1 * - + *]" 1
324 1 102 CYS H 1 105 ILE H 3.450 . 5.100 4.912 4.743 5.457 0.357 18 0 "[ . 1 . 2]" 1
325 1 109 TYR H 1 110 ALA H 2.160 . 2.520 2.512 2.395 2.647 0.127 20 0 "[ . 1 . 2]" 1
326 1 109 TYR H 1 111 ARG H 3.020 . 4.240 3.922 3.797 4.053 . 0 0 "[ . 1 . 2]" 1
327 1 109 TYR QD 1 110 ALA H 3.460 . 5.120 4.089 3.861 4.352 . 0 0 "[ . 1 . 2]" 1
328 1 110 ALA H 1 111 ARG H 2.170 . 2.540 2.571 2.458 2.669 0.129 10 0 "[ . 1 . 2]" 1
329 1 110 ALA H 1 112 GLU H 3.000 . 4.200 4.131 3.870 4.352 0.152 20 0 "[ . 1 . 2]" 1
330 1 110 ALA H 1 113 CYS H 3.510 . 5.220 4.828 4.579 4.951 . 0 0 "[ . 1 . 2]" 1
331 1 110 ALA MB 1 111 ARG H 2.630 . 3.460 2.505 2.405 2.647 . 0 0 "[ . 1 . 2]" 1
332 1 110 ALA MB 1 114 ILE MD 3.150 . 4.500 2.965 2.637 3.580 . 0 0 "[ . 1 . 2]" 1
333 1 111 ARG H 1 112 GLU H 2.370 . 2.940 2.778 2.594 2.969 0.029 5 0 "[ . 1 . 2]" 1
334 1 111 ARG H 1 113 CYS H 3.120 . 4.440 4.217 3.973 4.372 . 0 0 "[ . 1 . 2]" 1
335 1 111 ARG H 1 114 ILE H 3.510 . 5.220 4.835 4.669 4.988 . 0 0 "[ . 1 . 2]" 1
336 1 112 GLU H 1 113 CYS H 2.280 . 2.760 2.704 2.565 2.825 0.065 16 0 "[ . 1 . 2]" 1
337 1 112 GLU H 1 114 ILE H 3.270 . 4.740 4.258 4.073 4.482 . 0 0 "[ . 1 . 2]" 1
338 1 112 GLU H 1 115 THR H 3.470 . 5.140 4.721 4.511 4.967 . 0 0 "[ . 1 . 2]" 1
339 1 113 CYS H 1 114 ILE H 2.310 . 2.820 2.677 2.463 2.887 0.067 6 0 "[ . 1 . 2]" 1
340 1 113 CYS H 1 115 THR H 3.130 . 4.460 4.138 3.936 4.398 . 0 0 "[ . 1 . 2]" 1
341 1 113 CYS H 1 116 SER H 3.410 . 5.020 4.799 4.593 4.934 . 0 0 "[ . 1 . 2]" 1
342 1 114 ILE H 1 115 THR H 2.440 . 3.080 2.676 2.528 2.856 . 0 0 "[ . 1 . 2]" 1
343 1 114 ILE H 1 116 SER H 3.350 . 4.900 4.135 3.877 4.349 . 0 0 "[ . 1 . 2]" 1
344 1 114 ILE H 1 117 MET H 3.330 . 4.860 4.851 4.655 5.323 0.463 9 0 "[ . 1 . 2]" 1
345 1 115 THR H 1 116 SER H 2.510 . 3.220 2.704 2.585 2.829 . 0 0 "[ . 1 . 2]" 1
346 1 115 THR H 1 117 MET H 3.020 . 4.240 4.235 3.926 4.528 0.288 9 0 "[ . 1 . 2]" 1
347 1 115 THR H 1 118 VAL H 3.370 . 4.940 4.994 4.838 5.332 0.392 13 0 "[ . 1 . 2]" 1
348 1 116 SER H 1 117 MET H 2.360 . 2.920 2.619 2.498 2.730 . 0 0 "[ . 1 . 2]" 1
349 1 116 SER H 1 118 VAL H 3.240 . 4.680 4.236 4.043 4.451 . 0 0 "[ . 1 . 2]" 1
350 1 117 MET H 1 118 VAL H 2.320 . 2.840 2.674 2.567 2.782 . 0 0 "[ . 1 . 2]" 1
351 1 117 MET H 1 119 SER H 3.030 . 4.260 4.118 3.866 4.301 0.041 10 0 "[ . 1 . 2]" 1
352 1 118 VAL H 1 119 SER H 2.360 . 2.920 2.624 2.489 2.752 . 0 0 "[ . 1 . 2]" 1
353 1 118 VAL QG 1 119 SER H 3.250 . 4.700 2.661 2.195 3.309 . 0 0 "[ . 1 . 2]" 1
354 1 118 VAL QG 1 123 PHE H 2.910 . 4.020 4.002 3.519 4.425 0.405 7 0 "[ . 1 . 2]" 1
355 1 118 VAL QG 1 123 PHE QD 3.350 . 4.900 3.648 3.142 4.145 . 0 0 "[ . 1 . 2]" 1
356 1 118 VAL QG 1 125 GLN H 3.100 . 4.400 4.321 3.558 4.932 0.532 7 1 "[ . + 1 . 2]" 1
357 1 118 VAL QG 1 126 LEU H 3.080 . 4.360 2.768 1.760 3.526 0.040 6 0 "[ . 1 . 2]" 1
358 1 119 SER H 1 121 GLY H 3.080 . 4.360 3.858 3.694 4.056 . 0 0 "[ . 1 . 2]" 1
359 1 119 SER H 1 123 PHE H 3.500 . 5.200 5.090 4.787 5.440 0.240 9 0 "[ . 1 . 2]" 1
360 1 121 GLY H 1 122 THR H 2.290 . 2.780 2.675 2.540 2.886 0.106 20 0 "[ . 1 . 2]" 1
361 1 121 GLY H 1 123 PHE H 2.860 . 3.920 3.636 3.506 3.794 . 0 0 "[ . 1 . 2]" 1
362 1 121 GLY H 2 18 THR H 3.270 . 4.740 4.398 4.087 4.871 0.131 10 0 "[ . 1 . 2]" 1
363 1 122 THR H 1 123 PHE H 2.350 . 2.900 2.633 2.456 2.836 . 0 0 "[ . 1 . 2]" 1
364 1 122 THR H 2 18 THR H 3.070 . 4.340 4.166 3.919 4.427 0.087 3 0 "[ . 1 . 2]" 1
365 1 125 GLN H 1 126 LEU H 3.340 . 4.880 4.574 4.469 4.689 . 0 0 "[ . 1 . 2]" 1
366 1 126 LEU H 1 127 ASN H 3.070 . 4.340 4.066 3.811 4.325 . 0 0 "[ . 1 . 2]" 1
367 1 127 ASN H 1 128 LEU H 3.080 . 4.360 4.140 3.886 4.399 0.039 8 0 "[ . 1 . 2]" 1
368 1 128 LEU H 1 129 ALA H 3.310 . 4.820 4.589 4.445 4.676 . 0 0 "[ . 1 . 2]" 1
369 1 128 LEU QD 1 129 ALA H 2.340 . 2.880 2.856 1.855 3.934 1.054 14 7 "[** *. 1 +.- * *]" 1
370 1 128 LEU QD 1 129 ALA MB 3.330 . 4.860 3.773 2.535 4.758 . 0 0 "[ . 1 . 2]" 1
371 1 128 LEU QD 1 131 VAL QG 3.500 . 5.200 3.943 2.028 5.962 0.762 1 1 "[+ . 1 . 2]" 1
372 1 131 VAL QG 1 133 PHE H 3.470 . 5.140 3.644 2.662 4.842 . 0 0 "[ . 1 . 2]" 1
373 1 131 VAL QG 1 133 PHE QD 3.110 . 4.420 3.769 2.397 6.383 1.963 20 4 "[ - . 1 ** +]" 1
374 1 131 VAL QG 1 133 PHE QE 2.740 . 3.680 4.130 2.086 7.904 4.224 20 8 "[ **. -1* *** +]" 1
375 1 133 PHE H 1 134 ASP H 2.110 . 2.420 2.544 2.303 2.773 0.353 20 0 "[ . 1 . 2]" 1
376 1 133 PHE H 1 135 ALA H 2.930 . 4.060 4.429 3.889 4.883 0.823 14 7 "[- *. 1* *+.** 2]" 1
377 1 133 PHE H 1 136 LEU H 3.510 . 5.220 5.327 4.713 5.990 0.770 12 2 "[ - . 1 + . 2]" 1
378 1 133 PHE QD 1 134 ASP H 3.260 . 4.720 4.140 2.564 4.816 0.096 12 0 "[ . 1 . 2]" 1
379 1 134 ASP H 1 135 ALA H 2.250 . 2.700 2.705 2.507 2.903 0.203 7 0 "[ . 1 . 2]" 1
380 1 134 ASP H 1 136 LEU H 3.070 . 4.340 4.209 3.819 4.853 0.513 3 1 "[ + . 1 . 2]" 1
381 1 134 ASP H 1 137 PHE H 3.410 . 5.020 4.942 4.466 5.827 0.807 13 2 "[ - 1 + . 2]" 1
382 1 135 ALA H 1 136 LEU H 2.320 . 2.840 2.691 2.517 2.925 0.085 3 0 "[ . 1 . 2]" 1
383 1 135 ALA H 1 137 PHE H 3.060 . 4.320 4.140 3.803 4.388 0.068 4 0 "[ . 1 . 2]" 1
384 1 135 ALA H 1 138 MET H 3.520 . 5.240 4.904 4.485 6.428 1.188 13 1 "[ . 1 + . 2]" 1
385 1 135 ALA MB 1 136 LEU H 2.700 . 3.600 2.743 2.235 3.133 . 0 0 "[ . 1 . 2]" 1
386 1 136 LEU H 1 137 PHE H 2.190 . 2.580 2.545 2.328 2.723 0.143 1 0 "[ . 1 . 2]" 1
387 1 136 LEU H 1 138 MET H 3.250 . 4.700 4.122 3.746 4.985 0.285 13 0 "[ . 1 . 2]" 1
388 1 136 LEU H 1 139 ASN H 3.370 . 4.940 5.011 4.362 5.574 0.634 5 3 "[ + 1 * .- 2]" 1
389 1 136 LEU QD 1 137 PHE H 2.990 . 4.180 3.412 1.830 4.399 0.219 13 0 "[ . 1 . 2]" 1
390 1 136 LEU QD 1 137 PHE QD 3.160 . 4.520 4.714 2.861 6.416 1.896 15 9 "[- *.* 1 **+ ***2]" 1
391 1 136 LEU QD 1 137 PHE QE 3.260 . 4.720 6.165 3.103 7.959 3.239 15 15 "[** **** **- **+ ***2]" 1
392 1 137 PHE H 1 138 MET H 2.370 . 2.940 2.563 2.285 3.031 0.091 13 0 "[ . 1 . 2]" 1
393 1 137 PHE H 1 139 ASN H 2.920 . 4.040 4.110 3.534 4.436 0.396 16 0 "[ . 1 . 2]" 1
394 1 137 PHE QD 1 138 MET H 3.200 . 4.600 3.912 2.641 4.719 0.119 3 0 "[ . 1 . 2]" 1
395 1 138 MET H 1 139 ASN H 2.360 . 2.920 2.641 2.431 2.909 . 0 0 "[ . 1 . 2]" 1
396 1 138 MET H 1 140 TYR H 3.250 . 4.700 4.178 3.633 4.686 . 0 0 "[ . 1 . 2]" 1
397 1 138 MET H 1 141 LEU H 3.270 . 4.740 4.660 4.369 4.870 0.130 8 0 "[ . 1 . 2]" 1
398 1 138 MET ME 1 141 LEU H 3.520 . 5.240 5.059 3.710 6.009 0.769 18 3 "[- . 1 *. + 2]" 1
399 1 138 MET ME 1 141 LEU MD2 2.550 . 3.300 2.286 1.756 2.771 0.044 8 0 "[ . 1 . 2]" 1
400 1 139 ASN H 1 140 TYR H 2.380 . 2.960 2.714 2.562 3.031 0.071 11 0 "[ . 1 . 2]" 1
401 1 139 ASN H 1 141 LEU H 2.970 . 4.140 4.005 3.760 4.306 0.166 8 0 "[ . 1 . 2]" 1
402 1 140 TYR H 1 141 LEU H 2.060 . 2.320 2.498 2.200 2.760 0.440 5 0 "[ . 1 . 2]" 1
403 1 140 TYR QD 1 141 LEU H 3.100 . 4.400 3.762 3.076 4.074 . 0 0 "[ . 1 . 2]" 1
404 2 9 MET H 2 10 THR H 3.270 . 4.740 4.493 4.326 4.746 0.006 20 0 "[ . 1 . 2]" 1
405 2 9 MET ME 2 10 THR H 2.920 . 4.040 3.232 2.540 3.926 . 0 0 "[ . 1 . 2]" 1
406 2 9 MET ME 2 87 ALA H 2.500 . 3.200 2.749 2.182 4.080 0.880 15 1 "[ . 1 + 2]" 1
407 2 9 MET ME 2 89 ILE H 3.140 . 4.480 3.290 2.481 4.356 . 0 0 "[ . 1 . 2]" 1
408 2 9 MET ME 2 89 ILE MD 2.760 . 3.720 2.491 1.855 3.314 . 0 0 "[ . 1 . 2]" 1
409 2 9 MET ME 2 98 LEU QD 3.310 . 4.820 3.875 2.197 4.958 0.138 2 0 "[ . 1 . 2]" 1
410 2 10 THR H 2 11 PHE H 3.200 . 4.600 4.153 3.740 4.357 . 0 0 "[ . 1 . 2]" 1
411 2 10 THR H 2 87 ALA H 2.520 . 3.240 3.250 2.704 3.854 0.614 14 2 "[ . - 1 +. 2]" 1
412 2 11 PHE H 2 12 GLN H 3.030 . 4.260 4.240 3.908 4.386 0.126 1 0 "[ . 1 . 2]" 1
413 2 11 PHE QD 2 12 GLN H 2.890 . 3.980 3.368 2.468 3.954 . 0 0 "[ . 1 . 2]" 1
414 2 11 PHE QE 2 101 TYR QD 3.340 . 4.880 3.557 2.842 4.206 . 0 0 "[ . 1 . 2]" 1
415 2 11 PHE QE 2 101 TYR QE 3.450 . 5.100 2.857 1.694 4.164 0.106 12 0 "[ . 1 . 2]" 1
416 2 11 PHE QE 2 105 ILE MD 3.280 . 4.760 4.126 2.035 6.126 1.366 19 6 "[* .** 1 *- +2]" 1
417 2 12 GLN H 2 13 ILE H 2.940 . 4.080 4.157 3.777 4.319 0.239 12 0 "[ . 1 . 2]" 1
418 2 12 GLN H 2 85 SER H 2.680 . 3.560 2.901 2.270 3.505 . 0 0 "[ . 1 . 2]" 1
419 2 13 ILE H 2 14 GLN H 3.320 . 4.840 4.403 4.221 4.604 . 0 0 "[ . 1 . 2]" 1
420 2 13 ILE MD 2 105 ILE MD 2.630 . 3.460 2.309 1.567 3.188 0.233 19 0 "[ . 1 . 2]" 1
421 2 14 GLN H 2 15 ARG H 1.980 . 2.160 2.349 2.186 2.489 0.329 2 0 "[ . 1 . 2]" 1
422 2 14 GLN H 2 83 ILE H 2.920 . 4.040 4.665 4.110 5.061 1.021 16 15 "[****.* * *** *-+** *]" 1
423 2 14 GLN H 2 84 PHE H 3.490 . 5.180 4.769 4.481 5.149 . 0 0 "[ . 1 . 2]" 1
424 2 14 GLN H 2 84 PHE QD 3.460 . 5.120 3.305 2.545 4.180 . 0 0 "[ . 1 . 2]" 1
425 2 15 ARG H 2 16 ILE H 3.110 . 4.420 4.263 4.163 4.416 . 0 0 "[ . 1 . 2]" 1
426 2 15 ARG H 2 83 ILE H 2.470 . 3.140 3.216 2.956 3.398 0.258 3 0 "[ . 1 . 2]" 1
427 2 16 ILE H 2 17 TYR H 3.260 . 4.720 4.470 4.442 4.495 . 0 0 "[ . 1 . 2]" 1
428 2 16 ILE MD 2 109 TYR QD 3.160 . 4.520 3.475 3.183 3.854 . 0 0 "[ . 1 . 2]" 1
429 2 16 ILE MD 2 109 TYR QE 2.600 . 3.400 2.543 2.100 2.950 . 0 0 "[ . 1 . 2]" 1
430 2 17 TYR H 2 18 THR H 3.160 . 4.520 4.313 4.202 4.397 . 0 0 "[ . 1 . 2]" 1
431 2 17 TYR H 2 81 GLY H 2.920 . 4.040 3.862 3.642 4.109 0.069 1 0 "[ . 1 . 2]" 1
432 2 17 TYR QD 2 18 THR H 3.190 . 4.580 3.848 3.096 4.357 . 0 0 "[ . 1 . 2]" 1
433 2 17 TYR QE 2 83 ILE H 3.460 . 5.120 2.844 2.135 3.591 . 0 0 "[ . 1 . 2]" 1
434 2 17 TYR QE 2 83 ILE MD 3.360 . 4.920 2.725 2.307 3.303 . 0 0 "[ . 1 . 2]" 1
435 2 18 THR H 2 19 LYS H 3.280 . 4.760 4.497 4.421 4.543 . 0 0 "[ . 1 . 2]" 1
436 2 19 LYS H 2 20 ASP H 2.100 . 2.400 2.211 2.126 2.392 . 0 0 "[ . 1 . 2]" 1
437 2 19 LYS H 2 59 VAL MG1 3.460 . 5.120 4.372 3.965 4.732 . 0 0 "[ . 1 . 2]" 1
438 2 19 LYS H 2 78 VAL MG1 3.440 . 5.080 4.336 4.081 4.600 . 0 0 "[ . 1 . 2]" 1
439 2 19 LYS H 2 79 GLN H 2.870 . 3.940 4.110 3.826 4.336 0.396 4 0 "[ . 1 . 2]" 1
440 2 19 LYS H 2 80 GLN H 3.460 . 5.120 5.012 4.873 5.193 0.073 1 0 "[ . 1 . 2]" 1
441 2 19 LYS H 2 81 GLY H 2.620 . 3.440 3.119 2.828 3.409 . 0 0 "[ . 1 . 2]" 1
442 2 20 ASP H 2 21 ILE H 3.160 . 4.520 4.276 4.197 4.360 . 0 0 "[ . 1 . 2]" 1
443 2 20 ASP H 2 78 VAL MG1 3.290 . 4.780 4.081 3.836 4.413 . 0 0 "[ . 1 . 2]" 1
444 2 20 ASP H 2 79 GLN H 2.430 . 3.060 2.989 2.602 3.228 0.168 20 0 "[ . 1 . 2]" 1
445 2 21 ILE H 2 22 SER H 3.150 . 4.500 4.305 4.203 4.363 . 0 0 "[ . 1 . 2]" 1
446 2 21 ILE MD 2 22 SER H 3.210 . 4.620 3.524 3.352 3.705 . 0 0 "[ . 1 . 2]" 1
447 2 21 ILE MD 2 78 VAL MG1 2.440 . 3.080 1.982 1.702 2.319 0.098 19 0 "[ . 1 . 2]" 1
448 2 21 ILE MD 2 78 VAL MG2 2.460 . 3.120 1.873 1.761 1.968 0.039 14 0 "[ . 1 . 2]" 1
449 2 21 ILE MD 2 79 GLN H 3.300 . 4.800 3.067 2.758 3.526 . 0 0 "[ . 1 . 2]" 1
450 2 22 SER H 2 23 PHE H 3.170 . 4.540 4.159 3.847 4.282 . 0 0 "[ . 1 . 2]" 1
451 2 22 SER H 2 77 GLU H 2.520 . 3.240 3.093 2.716 3.414 0.174 18 0 "[ . 1 . 2]" 1
452 2 22 SER H 2 78 VAL H 3.480 . 5.160 5.056 4.874 5.164 0.004 4 0 "[ . 1 . 2]" 1
453 2 22 SER H 2 78 VAL MG2 3.140 . 4.480 3.836 2.970 4.284 . 0 0 "[ . 1 . 2]" 1
454 2 23 PHE H 2 24 GLU H 2.940 . 4.080 4.018 3.796 4.373 0.293 14 0 "[ . 1 . 2]" 1
455 2 23 PHE QD 2 24 GLU H 2.890 . 3.980 3.692 3.079 3.956 . 0 0 "[ . 1 . 2]" 1
456 2 23 PHE QD 2 75 LEU H 3.490 . 5.180 4.413 4.030 4.995 . 0 0 "[ . 1 . 2]" 1
457 2 23 PHE QE 2 25 ALA MB 3.410 . 5.020 2.726 2.402 3.118 . 0 0 "[ . 1 . 2]" 1
458 2 23 PHE QE 2 75 LEU H 3.510 . 5.220 4.332 3.705 5.063 . 0 0 "[ . 1 . 2]" 1
459 2 23 PHE QE 2 121 GLY H 3.280 . 4.760 3.729 3.005 4.174 . 0 0 "[ . 1 . 2]" 1
460 2 24 GLU H 2 25 ALA H 3.260 . 4.720 4.190 4.029 4.412 . 0 0 "[ . 1 . 2]" 1
461 2 24 GLU H 2 75 LEU H 2.410 . 3.020 2.827 2.322 3.061 0.041 18 0 "[ . 1 . 2]" 1
462 2 24 GLU H 2 75 LEU MD1 3.360 . 4.920 4.423 3.852 5.189 0.269 12 0 "[ . 1 . 2]" 1
463 2 25 ALA MB 2 27 ASN H 3.430 . 5.060 3.799 3.406 4.332 . 0 0 "[ . 1 . 2]" 1
464 2 25 ALA MB 2 28 ALA H 2.970 . 4.140 2.943 2.668 3.316 . 0 0 "[ . 1 . 2]" 1
465 2 25 ALA MB 2 28 ALA MB 2.680 . 3.570 1.814 1.686 2.119 0.114 2 0 "[ . 1 . 2]" 1
466 2 27 ASN H 2 28 ALA H 2.280 . 2.760 2.489 2.347 2.833 0.073 19 0 "[ . 1 . 2]" 1
467 2 28 ALA H 2 30 HIS H 2.980 . 4.160 4.270 4.054 4.637 0.477 15 0 "[ . 1 . 2]" 1
468 2 30 HIS H 2 31 VAL H 2.330 . 2.860 2.472 2.226 2.848 . 0 0 "[ . 1 . 2]" 1
469 2 30 HIS H 2 32 PHE H 3.160 . 4.520 4.289 3.630 4.862 0.342 14 0 "[ . 1 . 2]" 1
470 2 31 VAL H 2 32 PHE H 2.350 . 2.900 2.694 2.459 3.017 0.117 13 0 "[ . 1 . 2]" 1
471 2 31 VAL H 2 33 GLN H 3.320 . 4.840 4.679 4.261 5.030 0.190 10 0 "[ . 1 . 2]" 1
472 2 31 VAL H 2 34 LYS H 3.380 . 4.960 5.316 4.567 5.974 1.014 13 5 "[-* . 1 + * * 2]" 1
473 2 31 VAL QG 2 32 PHE H 2.440 . 3.080 2.871 2.378 3.589 0.509 20 1 "[ . 1 . +]" 1
474 2 31 VAL QG 2 36 TRP H 3.440 . 5.080 5.208 3.414 6.601 1.521 6 8 "[ * *+ * *- * * 2]" 1
475 2 31 VAL QG 2 68 LEU MD1 2.920 . 4.040 2.120 1.776 3.004 0.024 2 0 "[ . 1 . 2]" 1
476 2 32 PHE H 2 33 GLN H 2.400 . 3.000 2.727 2.552 2.878 . 0 0 "[ . 1 . 2]" 1
477 2 32 PHE H 2 34 LYS H 2.980 . 4.160 4.071 3.733 4.554 0.394 2 0 "[ . 1 . 2]" 1
478 2 32 PHE QD 2 33 GLN H 3.030 . 4.260 3.877 2.570 4.475 0.215 13 0 "[ . 1 . 2]" 1
479 2 33 GLN H 2 34 LYS H 2.110 . 2.420 2.488 2.317 2.736 0.316 2 0 "[ . 1 . 2]" 1
480 2 34 LYS H 2 35 ASP H 2.980 . 4.160 4.030 3.619 4.361 0.201 6 0 "[ . 1 . 2]" 1
481 2 35 ASP H 2 36 TRP H 3.070 . 4.340 3.903 3.699 4.168 . 0 0 "[ . 1 . 2]" 1
482 2 35 ASP H 2 36 TRP HE3 2.510 . 3.220 3.178 2.773 3.749 0.529 17 1 "[ . 1 . + 2]" 1
483 2 35 ASP H 2 36 TRP HZ3 2.730 . 3.660 3.638 3.087 4.277 0.617 4 2 "[ +. 1 . - 2]" 1
484 2 36 TRP H 2 37 GLN H 3.180 . 4.560 4.361 4.339 4.395 . 0 0 "[ . 1 . 2]" 1
485 2 36 TRP H 2 68 LEU MD2 2.660 . 3.520 2.901 2.645 3.224 . 0 0 "[ . 1 . 2]" 1
486 2 36 TRP HE1 2 68 LEU MD2 2.620 . 3.440 2.688 2.444 2.985 . 0 0 "[ . 1 . 2]" 1
487 2 36 TRP HE1 2 69 GLY H 2.110 . 2.420 2.593 1.884 3.101 0.681 11 4 "[ . 1+ * .-* 2]" 1
488 2 39 GLU H 2 40 VAL H 3.310 . 4.820 4.443 4.205 4.604 . 0 0 "[ . 1 . 2]" 1
489 2 39 GLU H 2 67 SER H 2.190 . 2.580 3.163 2.733 3.612 1.032 2 13 "[*+ *** 1 *****-* *]" 1
490 2 39 GLU H 2 68 LEU H 3.430 . 5.060 5.148 4.905 6.082 1.022 6 1 "[ .+ 1 . 2]" 1
491 2 39 GLU H 2 68 LEU MD2 3.480 . 5.160 3.831 3.384 4.470 . 0 0 "[ . 1 . 2]" 1
492 2 39 GLU H 2 73 ALA MB 3.490 . 5.180 5.049 4.640 5.771 0.591 6 1 "[ .+ 1 . 2]" 1
493 2 40 VAL H 2 41 LYS H 3.260 . 4.720 4.466 4.275 4.577 . 0 0 "[ . 1 . 2]" 1
494 2 40 VAL QG 2 41 LYS H 2.530 . 3.260 2.716 2.035 3.619 0.359 19 0 "[ . 1 . 2]" 1
495 2 40 VAL QG 2 64 VAL QG 3.420 . 5.040 2.440 1.798 4.152 0.002 1 0 "[ . 1 . 2]" 1
496 2 40 VAL QG 2 126 LEU QD 3.340 . 4.880 2.097 1.554 3.419 0.246 5 0 "[ . 1 . 2]" 1
497 2 40 VAL QG 2 128 LEU QD 3.100 . 4.400 3.894 2.284 5.853 1.453 19 4 "[ . 1 * *.- +2]" 1
498 2 41 LYS H 2 42 LEU H 3.220 . 4.640 4.258 3.871 4.485 . 0 0 "[ . 1 . 2]" 1
499 2 41 LYS H 2 64 VAL QG 3.030 . 4.260 3.576 3.051 4.217 . 0 0 "[ . 1 . 2]" 1
500 2 41 LYS H 2 65 THR H 2.890 . 3.980 3.068 2.664 3.582 . 0 0 "[ . 1 . 2]" 1
501 2 42 LEU H 2 43 ASP H 3.270 . 4.740 4.437 4.253 4.567 . 0 0 "[ . 1 . 2]" 1
502 2 42 LEU QD 2 43 ASP H 3.490 . 5.180 3.116 2.206 4.525 . 0 0 "[ . 1 . 2]" 1
503 2 42 LEU QD 2 44 LEU QD 3.190 . 4.580 2.878 1.865 4.942 0.362 2 0 "[ . 1 . 2]" 1
504 2 43 ASP H 2 44 LEU H 2.960 . 4.120 4.216 3.814 4.439 0.319 5 0 "[ . 1 . 2]" 1
505 2 43 ASP H 2 63 THR H 2.940 . 4.080 3.340 2.638 3.922 . 0 0 "[ . 1 . 2]" 1
506 2 44 LEU H 2 45 ASP H 3.270 . 4.740 4.432 4.183 4.535 . 0 0 "[ . 1 . 2]" 1
507 2 45 ASP H 2 46 THR H 3.180 . 4.560 4.406 4.343 4.459 . 0 0 "[ . 1 . 2]" 1
508 2 45 ASP H 2 61 ARG H 2.860 . 3.920 3.345 2.898 4.209 0.289 11 0 "[ . 1 . 2]" 1
509 2 46 THR H 2 47 ALA H 3.180 . 4.560 4.311 3.951 4.462 . 0 0 "[ . 1 . 2]" 1
510 2 47 ALA H 2 48 SER H 3.020 . 4.240 4.269 3.989 4.448 0.208 1 0 "[ . 1 . 2]" 1
511 2 47 ALA H 2 59 VAL H 2.890 . 3.990 3.757 3.189 4.448 0.458 2 0 "[ . 1 . 2]" 1
512 2 47 ALA H 2 61 ARG H 3.220 . 4.640 4.349 3.832 4.876 0.236 9 0 "[ . 1 . 2]" 1
513 2 47 ALA MB 2 48 SER H 2.930 . 4.060 3.013 2.670 3.315 . 0 0 "[ . 1 . 2]" 1
514 2 48 SER H 2 49 SER H 3.210 . 4.620 4.423 4.400 4.463 . 0 0 "[ . 1 . 2]" 1
515 2 48 SER H 2 59 VAL H 3.350 . 4.900 4.923 4.525 5.241 0.341 2 0 "[ . 1 . 2]" 1
516 2 49 SER H 2 50 GLN H 3.170 . 4.540 4.293 4.115 4.394 . 0 0 "[ . 1 . 2]" 1
517 2 49 SER H 2 57 GLU H 2.470 . 3.150 3.126 2.784 3.525 0.375 12 0 "[ . 1 . 2]" 1
518 2 49 SER H 2 58 VAL H 3.430 . 5.060 5.119 4.773 5.445 0.385 12 0 "[ . 1 . 2]" 1
519 2 49 SER H 2 59 VAL H 3.460 . 5.120 5.118 4.754 5.610 0.490 3 0 "[ . 1 . 2]" 1
520 2 50 GLN H 2 51 LEU H 3.250 . 4.700 4.449 4.215 4.560 . 0 0 "[ . 1 . 2]" 1
521 2 50 GLN H 2 57 GLU H 3.480 . 5.160 4.989 4.784 5.133 . 0 0 "[ . 1 . 2]" 1
522 2 51 LEU H 2 52 ALA H 2.020 . 2.240 2.200 2.106 2.451 0.211 10 0 "[ . 1 . 2]" 1
523 2 51 LEU H 2 55 VAL H 3.250 . 4.700 4.907 4.704 5.199 0.499 10 0 "[ . 1 . 2]" 1
524 2 51 LEU H 2 55 VAL MG1 3.490 . 5.180 3.657 3.162 4.009 . 0 0 "[ . 1 . 2]" 1
525 2 51 LEU H 2 56 TYR H 3.240 . 4.680 4.791 4.524 5.054 0.374 12 0 "[ . 1 . 2]" 1
526 2 51 LEU H 2 56 TYR QD 3.190 . 4.580 3.992 3.045 5.216 0.636 12 1 "[ . 1 + . 2]" 1
527 2 51 LEU H 2 57 GLU H 2.870 . 3.940 3.879 3.342 4.458 0.518 17 1 "[ . 1 . + 2]" 1
528 2 51 LEU MD1 2 55 VAL MG1 3.070 . 4.340 2.254 2.040 2.646 . 0 0 "[ . 1 . 2]" 1
529 2 51 LEU MD1 2 57 GLU H 3.040 . 4.280 3.890 3.355 4.543 0.263 16 0 "[ . 1 . 2]" 1
530 2 51 LEU MD1 2 83 ILE MD 3.100 . 4.400 2.502 2.368 2.663 . 0 0 "[ . 1 . 2]" 1
531 2 51 LEU MD1 2 84 PHE H 3.460 . 5.120 4.062 3.665 4.368 . 0 0 "[ . 1 . 2]" 1
532 2 51 LEU MD2 2 57 GLU H 3.040 . 4.280 3.805 3.167 4.495 0.215 12 0 "[ . 1 . 2]" 1
533 2 52 ALA H 2 53 ASP H 3.180 . 4.560 4.310 4.263 4.387 . 0 0 "[ . 1 . 2]" 1
534 2 52 ALA H 2 55 VAL H 2.650 . 3.500 3.552 3.402 3.920 0.420 2 0 "[ . 1 . 2]" 1
535 2 52 ALA H 2 55 VAL MG1 3.180 . 4.560 3.411 2.914 3.729 . 0 0 "[ . 1 . 2]" 1
536 2 52 ALA H 2 56 TYR H 3.480 . 5.160 5.182 5.023 5.431 0.271 12 0 "[ . 1 . 2]" 1
537 2 52 ALA MB 2 53 ASP H 2.320 . 2.840 1.864 1.730 2.286 0.070 3 0 "[ . 1 . 2]" 1
538 2 52 ALA MB 2 55 VAL H 3.480 . 5.160 3.475 3.220 3.715 . 0 0 "[ . 1 . 2]" 1
539 2 52 ALA MB 2 55 VAL MG1 3.410 . 5.020 3.098 2.842 3.313 . 0 0 "[ . 1 . 2]" 1
540 2 52 ALA MB 2 55 VAL MG2 3.300 . 4.800 2.636 2.064 2.941 . 0 0 "[ . 1 . 2]" 1
541 2 53 ASP H 2 54 ASP H 3.250 . 4.700 4.426 4.283 4.569 . 0 0 "[ . 1 . 2]" 1
542 2 53 ASP H 2 55 VAL H 3.230 . 4.660 4.005 3.815 4.141 . 0 0 "[ . 1 . 2]" 1
543 2 54 ASP H 2 55 VAL H 2.360 . 2.920 2.839 2.707 3.114 0.194 16 0 "[ . 1 . 2]" 1
544 2 54 ASP H 2 56 TYR QE 2.900 . 4.000 3.544 3.195 4.158 0.158 9 0 "[ . 1 . 2]" 1
545 2 54 ASP H 2 87 ALA MB 3.480 . 5.160 4.405 3.472 7.990 2.830 5 1 "[ + 1 . 2]" 1
546 2 55 VAL H 2 56 TYR H 2.830 . 3.860 4.185 4.067 4.294 0.434 17 0 "[ . 1 . 2]" 1
547 2 55 VAL H 2 56 TYR QD 3.030 . 4.260 4.377 3.786 4.768 0.508 9 1 "[ . +1 . 2]" 1
548 2 55 VAL H 2 56 TYR QE 2.880 . 3.960 4.415 3.915 4.793 0.833 9 11 "[ * - +1*** ** ***]" 1
549 2 55 VAL MG1 2 56 TYR H 3.170 . 4.540 3.062 2.842 3.243 . 0 0 "[ . 1 . 2]" 1
550 2 55 VAL MG1 2 84 PHE H 3.350 . 4.900 3.749 3.334 4.289 . 0 0 "[ . 1 . 2]" 1
551 2 56 TYR H 2 57 GLU H 3.260 . 4.720 4.366 4.280 4.425 . 0 0 "[ . 1 . 2]" 1
552 2 56 TYR H 2 84 PHE H 3.180 . 4.560 3.771 3.389 4.179 . 0 0 "[ . 1 . 2]" 1
553 2 56 TYR H 2 86 ILE H 2.670 . 3.540 3.141 2.621 5.108 1.568 5 1 "[ + 1 . 2]" 1
554 2 56 TYR QD 2 57 GLU H 3.400 . 5.000 4.019 3.657 4.335 . 0 0 "[ . 1 . 2]" 1
555 2 56 TYR QD 2 86 ILE H 3.500 . 5.200 3.055 2.169 4.632 . 0 0 "[ . 1 . 2]" 1
556 2 56 TYR QE 2 87 ALA MB 3.120 . 4.440 2.473 1.611 6.937 2.497 5 1 "[ + 1 . 2]" 1
557 2 57 GLU H 2 58 VAL H 3.050 . 4.300 4.116 3.856 4.411 0.111 14 0 "[ . 1 . 2]" 1
558 2 58 VAL H 2 59 VAL H 3.270 . 4.740 4.393 4.275 4.537 . 0 0 "[ . 1 . 2]" 1
559 2 58 VAL H 2 82 GLY H 2.970 . 4.140 3.725 3.262 4.289 0.149 5 0 "[ . 1 . 2]" 1
560 2 58 VAL H 2 84 PHE H 3.180 . 4.560 4.019 3.601 4.346 . 0 0 "[ . 1 . 2]" 1
561 2 58 VAL H 2 84 PHE QD 3.220 . 4.640 3.072 2.328 4.472 . 0 0 "[ . 1 . 2]" 1
562 2 58 VAL H 2 84 PHE QE 2.450 . 3.100 3.587 2.245 5.160 2.060 5 8 "[ ** +* 1 - *.* * 2]" 1
563 2 58 VAL MG1 2 59 VAL H 2.670 . 3.540 3.131 2.530 4.136 0.596 12 1 "[ . 1 + . 2]" 1
564 2 58 VAL MG2 2 59 VAL H 3.490 . 5.180 4.039 3.730 4.239 . 0 0 "[ . 1 . 2]" 1
565 2 58 VAL MG2 2 84 PHE QE 3.320 . 4.830 3.266 2.119 4.827 . 0 0 "[ . 1 . 2]" 1
566 2 58 VAL MG2 2 86 ILE MD 2.600 . 3.400 2.620 1.803 4.336 0.936 4 1 "[ +. 1 . 2]" 1
567 2 59 VAL H 2 60 LEU H 3.260 . 4.720 4.435 4.323 4.529 . 0 0 "[ . 1 . 2]" 1
568 2 59 VAL MG1 2 60 LEU H 2.390 . 2.980 2.409 2.203 2.872 . 0 0 "[ . 1 . 2]" 1
569 2 59 VAL MG1 2 80 GLN H 2.770 . 3.740 3.405 2.989 3.790 0.050 8 0 "[ . 1 . 2]" 1
570 2 59 VAL MG1 2 81 GLY H 2.950 . 4.100 3.418 3.103 3.842 . 0 0 "[ . 1 . 2]" 1
571 2 59 VAL MG2 2 60 LEU H 3.430 . 5.060 4.192 4.067 4.288 . 0 0 "[ . 1 . 2]" 1
572 2 59 VAL MG2 2 81 GLY H 3.430 . 5.060 4.387 4.152 4.741 . 0 0 "[ . 1 . 2]" 1
573 2 59 VAL MG2 2 82 GLY H 3.280 . 4.760 3.220 2.648 3.912 . 0 0 "[ . 1 . 2]" 1
574 2 60 LEU H 2 61 ARG H 3.120 . 4.440 4.133 3.963 4.317 . 0 0 "[ . 1 . 2]" 1
575 2 60 LEU H 2 80 GLN H 2.700 . 3.600 3.916 3.381 4.418 0.818 15 7 "[ -* * * *+* 2]" 1
576 2 60 LEU QD 2 61 ARG H 3.370 . 4.940 3.131 2.438 4.440 . 0 0 "[ . 1 . 2]" 1
577 2 60 LEU QD 2 62 VAL QG 2.830 . 3.860 3.132 2.034 4.500 0.640 13 2 "[ . 1 + - 2]" 1
578 2 61 ARG H 2 62 VAL H 3.240 . 4.680 4.428 4.315 4.528 . 0 0 "[ . 1 . 2]" 1
579 2 62 VAL H 2 63 THR H 3.040 . 4.280 4.124 3.971 4.301 0.021 6 0 "[ . 1 . 2]" 1
580 2 62 VAL H 2 78 VAL H 2.500 . 3.200 3.266 2.894 3.613 0.413 10 0 "[ . 1 . 2]" 1
581 2 62 VAL QG 2 63 THR H 2.970 . 4.140 3.146 2.662 3.284 . 0 0 "[ . 1 . 2]" 1
582 2 62 VAL QG 2 64 VAL QG 2.990 . 4.180 2.305 1.971 2.886 . 0 0 "[ . 1 . 2]" 1
583 2 62 VAL QG 2 110 ALA MB 3.190 . 4.580 2.342 2.058 2.591 . 0 0 "[ . 1 . 2]" 1
584 2 62 VAL QG 2 114 ILE MD 2.800 . 3.800 1.950 1.855 2.058 . 0 0 "[ . 1 . 2]" 1
585 2 62 VAL QG 2 128 LEU QD 3.040 . 4.280 2.244 1.609 2.685 0.191 19 0 "[ . 1 . 2]" 1
586 2 63 THR H 2 64 VAL H 3.290 . 4.780 4.390 4.208 4.537 . 0 0 "[ . 1 . 2]" 1
587 2 64 VAL H 2 65 THR H 2.860 . 3.920 4.212 3.839 4.371 0.451 10 0 "[ . 1 . 2]" 1
588 2 64 VAL H 2 76 CYS H 2.400 . 3.000 3.607 3.113 3.940 0.940 17 13 "[* * ***- * ** **+ *]" 1
589 2 64 VAL H 2 77 GLU H 3.480 . 5.160 4.866 4.563 4.996 . 0 0 "[ . 1 . 2]" 1
590 2 64 VAL QG 2 65 THR H 3.100 . 4.400 2.826 2.503 3.423 . 0 0 "[ . 1 . 2]" 1
591 2 64 VAL QG 2 114 ILE MD 2.880 . 3.960 1.825 1.727 1.973 0.073 2 0 "[ . 1 . 2]" 1
592 2 64 VAL QG 2 128 LEU QD 2.940 . 4.080 2.688 1.857 3.565 . 0 0 "[ . 1 . 2]" 1
593 2 65 THR H 2 66 ALA H 3.280 . 4.760 4.428 4.242 4.557 . 0 0 "[ . 1 . 2]" 1
594 2 65 THR H 2 76 CYS H 3.440 . 5.080 4.988 4.762 5.182 0.102 14 0 "[ . 1 . 2]" 1
595 2 66 ALA H 2 67 SER H 3.250 . 4.700 4.296 4.196 4.437 . 0 0 "[ . 1 . 2]" 1
596 2 66 ALA H 2 73 ALA H 3.210 . 4.620 4.455 4.285 4.774 0.154 9 0 "[ . 1 . 2]" 1
597 2 66 ALA H 2 74 PHE H 2.430 . 3.060 3.528 3.248 3.748 0.688 7 8 "[ * .*+* 1* **.- 2]" 1
598 2 66 ALA H 2 74 PHE QD 3.310 . 4.820 4.636 4.311 4.930 0.110 8 0 "[ . 1 . 2]" 1
599 2 66 ALA H 2 75 LEU H 3.480 . 5.160 5.177 4.889 5.366 0.206 7 0 "[ . 1 . 2]" 1
600 2 66 ALA H 2 75 LEU MD2 2.710 . 3.620 2.644 2.146 2.941 . 0 0 "[ . 1 . 2]" 1
601 2 66 ALA MB 2 67 SER H 2.740 . 3.680 2.927 2.621 3.129 . 0 0 "[ . 1 . 2]" 1
602 2 66 ALA MB 2 73 ALA H 3.260 . 4.720 3.989 3.759 4.334 . 0 0 "[ . 1 . 2]" 1
603 2 66 ALA MB 2 73 ALA MB 2.680 . 3.570 2.652 2.441 3.041 . 0 0 "[ . 1 . 2]" 1
604 2 66 ALA MB 2 74 PHE H 2.570 . 3.340 2.688 2.442 2.970 . 0 0 "[ . 1 . 2]" 1
605 2 66 ALA MB 2 74 PHE QD 2.740 . 3.680 3.003 2.918 3.123 . 0 0 "[ . 1 . 2]" 1
606 2 66 ALA MB 2 74 PHE QE 2.520 . 3.240 2.775 2.730 2.833 . 0 0 "[ . 1 . 2]" 1
607 2 67 SER H 2 68 LEU H 3.170 . 4.540 4.244 4.139 4.355 . 0 0 "[ . 1 . 2]" 1
608 2 67 SER H 2 73 ALA H 3.030 . 4.260 4.109 3.978 4.244 . 0 0 "[ . 1 . 2]" 1
609 2 67 SER H 2 73 ALA MB 3.050 . 4.300 3.590 3.325 3.889 . 0 0 "[ . 1 . 2]" 1
610 2 67 SER H 2 74 PHE H 3.480 . 5.160 4.865 4.698 4.978 . 0 0 "[ . 1 . 2]" 1
611 2 68 LEU H 2 69 GLY H 2.980 . 4.160 4.167 4.002 4.268 0.108 5 0 "[ . 1 . 2]" 1
612 2 68 LEU H 2 71 GLU H 2.750 . 3.700 4.052 3.806 4.574 0.874 11 2 "[ - . 1+ . 2]" 1
613 2 68 LEU H 2 72 THR H 3.490 . 5.180 5.184 4.968 5.482 0.302 19 0 "[ . 1 . 2]" 1
614 2 68 LEU H 2 73 ALA H 2.400 . 3.000 3.038 2.802 3.351 0.351 13 0 "[ . 1 . 2]" 1
615 2 68 LEU H 2 73 ALA MB 2.830 . 3.860 2.376 1.952 2.909 . 0 0 "[ . 1 . 2]" 1
616 2 68 LEU MD1 2 73 ALA MB 2.560 . 3.320 2.292 2.114 2.442 . 0 0 "[ . 1 . 2]" 1
617 2 68 LEU MD1 2 123 PHE QE 3.370 . 4.940 2.408 2.064 2.853 . 0 0 "[ . 1 . 2]" 1
618 2 68 LEU MD2 2 69 GLY H 3.390 . 4.980 3.825 3.339 4.289 . 0 0 "[ . 1 . 2]" 1
619 2 68 LEU MD2 2 73 ALA MB 3.490 . 5.180 3.318 2.856 3.560 . 0 0 "[ . 1 . 2]" 1
620 2 69 GLY H 2 70 GLU H 3.200 . 4.600 4.501 4.306 4.604 0.004 11 0 "[ . 1 . 2]" 1
621 2 69 GLY H 2 71 GLU H 3.260 . 4.720 4.554 4.288 4.900 0.180 11 0 "[ . 1 . 2]" 1
622 2 70 GLU H 2 71 GLU H 2.300 . 2.800 2.546 2.075 3.044 0.244 16 0 "[ . 1 . 2]" 1
623 2 71 GLU H 2 72 THR H 3.190 . 4.580 4.420 4.204 4.497 . 0 0 "[ . 1 . 2]" 1
624 2 72 THR H 2 73 ALA H 3.240 . 4.680 4.498 4.378 4.585 . 0 0 "[ . 1 . 2]" 1
625 2 73 ALA H 2 74 PHE H 2.330 . 2.860 2.507 2.299 2.729 . 0 0 "[ . 1 . 2]" 1
626 2 73 ALA MB 2 74 PHE H 2.480 . 3.160 2.114 1.969 2.518 . 0 0 "[ . 1 . 2]" 1
627 2 73 ALA MB 2 74 PHE QD 3.300 . 4.800 2.528 2.252 2.656 . 0 0 "[ . 1 . 2]" 1
628 2 74 PHE H 2 75 LEU H 3.150 . 4.500 4.317 4.191 4.359 . 0 0 "[ . 1 . 2]" 1
629 2 74 PHE H 2 75 LEU MD2 3.190 . 4.580 4.201 3.970 4.422 . 0 0 "[ . 1 . 2]" 1
630 2 74 PHE QD 2 75 LEU H 3.080 . 4.360 3.350 3.049 3.845 . 0 0 "[ . 1 . 2]" 1
631 2 74 PHE QD 2 123 PHE QD 3.220 . 4.640 3.020 2.762 3.300 . 0 0 "[ . 1 . 2]" 1
632 2 74 PHE QD 2 123 PHE QE 3.240 . 4.680 3.163 2.925 3.457 . 0 0 "[ . 1 . 2]" 1
633 2 74 PHE QE 2 118 VAL MG1 3.320 . 4.830 2.940 2.754 3.445 . 0 0 "[ . 1 . 2]" 1
634 2 74 PHE QE 2 118 VAL MG2 3.340 . 4.880 2.352 2.170 2.666 . 0 0 "[ . 1 . 2]" 1
635 2 75 LEU H 2 76 CYS H 3.250 . 4.700 4.164 4.002 4.401 . 0 0 "[ . 1 . 2]" 1
636 2 75 LEU MD2 2 76 CYS H 3.500 . 5.200 3.992 3.747 4.183 . 0 0 "[ . 1 . 2]" 1
637 2 76 CYS H 2 77 GLU H 3.150 . 4.500 4.416 4.137 4.510 0.010 5 0 "[ . 1 . 2]" 1
638 2 77 GLU H 2 78 VAL H 3.020 . 4.240 4.145 4.032 4.256 0.016 16 0 "[ . 1 . 2]" 1
639 2 77 GLU H 2 78 VAL MG2 3.050 . 4.300 3.438 3.283 3.644 . 0 0 "[ . 1 . 2]" 1
640 2 78 VAL H 2 79 GLN H 3.230 . 4.660 4.369 4.266 4.441 . 0 0 "[ . 1 . 2]" 1
641 2 78 VAL H 2 114 ILE MD 3.470 . 5.140 3.341 3.032 3.512 . 0 0 "[ . 1 . 2]" 1
642 2 78 VAL MG1 2 79 GLN H 2.340 . 2.880 2.335 2.216 2.420 . 0 0 "[ . 1 . 2]" 1
643 2 78 VAL MG1 2 80 GLN H 3.210 . 4.620 3.061 2.655 3.427 . 0 0 "[ . 1 . 2]" 1
644 2 78 VAL MG2 2 79 GLN H 3.380 . 4.960 3.970 3.768 4.174 . 0 0 "[ . 1 . 2]" 1
645 2 78 VAL MG2 2 114 ILE H 3.370 . 4.940 2.799 2.581 3.123 . 0 0 "[ . 1 . 2]" 1
646 2 79 GLN H 2 80 GLN H 2.920 . 4.040 3.987 3.755 4.134 0.094 15 0 "[ . 1 . 2]" 1
647 2 80 GLN H 2 81 GLY H 3.140 . 4.480 4.196 4.036 4.433 . 0 0 "[ . 1 . 2]" 1
648 2 80 GLN H 2 110 ALA MB 3.180 . 4.560 3.368 3.080 3.616 . 0 0 "[ . 1 . 2]" 1
649 2 81 GLY H 2 82 GLY H 3.280 . 4.760 4.534 4.488 4.561 . 0 0 "[ . 1 . 2]" 1
650 2 82 GLY H 2 83 ILE H 3.220 . 4.640 4.140 4.038 4.238 . 0 0 "[ . 1 . 2]" 1
651 2 82 GLY H 2 84 PHE QE 2.830 . 3.860 4.154 3.745 4.384 0.524 13 1 "[ . 1 + . 2]" 1
652 2 83 ILE H 2 84 PHE H 3.180 . 4.560 4.453 4.375 4.497 . 0 0 "[ . 1 . 2]" 1
653 2 84 PHE H 2 85 SER H 3.180 . 4.560 4.332 4.227 4.414 . 0 0 "[ . 1 . 2]" 1
654 2 84 PHE QD 2 85 SER H 3.390 . 4.980 4.259 3.997 4.530 . 0 0 "[ . 1 . 2]" 1
655 2 85 SER H 2 86 ILE H 3.170 . 4.540 4.142 3.908 4.439 . 0 0 "[ . 1 . 2]" 1
656 2 86 ILE H 2 87 ALA H 2.960 . 4.120 4.033 3.727 4.473 0.353 5 0 "[ . 1 . 2]" 1
657 2 86 ILE H 2 87 ALA MB 3.450 . 5.100 4.080 3.727 4.553 . 0 0 "[ . 1 . 2]" 1
658 2 86 ILE MD 2 98 LEU QD . . 2.880 2.486 1.645 4.016 1.136 11 2 "[- . 1+ . 2]" 1
659 2 87 ALA H 2 88 GLY H 3.200 . 4.600 4.405 4.379 4.485 . 0 0 "[ . 1 . 2]" 1
660 2 87 ALA H 2 89 ILE H 3.290 . 4.780 4.721 4.262 5.176 0.396 19 0 "[ . 1 . 2]" 1
661 2 87 ALA MB 2 88 GLY H 2.540 . 3.280 2.275 2.108 2.508 . 0 0 "[ . 1 . 2]" 1
662 2 88 GLY H 2 89 ILE H 2.710 . 3.620 3.115 2.650 3.701 0.081 19 0 "[ . 1 . 2]" 1
663 2 89 ILE H 2 90 GLU H 3.330 . 4.860 4.607 4.543 4.675 . 0 0 "[ . 1 . 2]" 1
664 2 89 ILE MD 2 98 LEU H 3.410 . 5.020 4.580 3.174 6.658 1.638 2 2 "[ + .- 1 . 2]" 1
665 2 89 ILE MD 2 98 LEU QD 3.240 . 4.680 3.768 1.910 5.460 0.780 4 1 "[ +. 1 . 2]" 1
666 2 90 GLU H 2 91 GLY H 3.180 . 4.560 4.353 4.197 4.431 . 0 0 "[ . 1 . 2]" 1
667 2 90 GLU H 2 94 MET H 3.040 . 4.280 3.983 3.107 4.652 0.372 6 0 "[ . 1 . 2]" 1
668 2 91 GLY H 2 92 THR H 3.240 . 4.680 4.516 4.363 4.620 . 0 0 "[ . 1 . 2]" 1
669 2 91 GLY H 2 94 MET H 3.470 . 5.140 4.309 3.815 5.103 . 0 0 "[ . 1 . 2]" 1
670 2 92 THR H 2 93 GLN H 2.000 . 2.200 2.586 2.375 2.733 0.533 9 1 "[ . +1 . 2]" 1
671 2 92 THR H 2 94 MET H 2.910 . 4.020 4.081 3.712 4.342 0.322 4 0 "[ . 1 . 2]" 1
672 2 92 THR H 2 95 ALA H 3.500 . 5.200 4.957 4.524 5.898 0.698 1 1 "[+ . 1 . 2]" 1
673 2 93 GLN H 2 94 MET H 2.380 . 2.960 2.591 2.499 2.762 . 0 0 "[ . 1 . 2]" 1
674 2 93 GLN H 2 95 ALA H 3.120 . 4.440 4.182 3.786 4.944 0.504 1 1 "[+ . 1 . 2]" 1
675 2 94 MET H 2 95 ALA H 2.360 . 2.920 2.622 2.344 3.016 0.096 1 0 "[ . 1 . 2]" 1
676 2 94 MET H 2 96 HIS H 3.120 . 4.440 4.069 3.782 4.428 . 0 0 "[ . 1 . 2]" 1
677 2 94 MET H 2 97 CYS H 3.460 . 5.120 4.847 4.615 5.312 0.192 5 0 "[ . 1 . 2]" 1
678 2 94 MET ME 2 98 LEU QD 2.900 . 4.000 2.326 1.612 3.530 0.188 10 0 "[ . 1 . 2]" 1
679 2 95 ALA H 2 96 HIS H 2.260 . 2.720 2.666 2.468 2.801 0.081 13 0 "[ . 1 . 2]" 1
680 2 95 ALA H 2 97 CYS H 3.120 . 4.440 4.192 3.921 4.507 0.067 11 0 "[ . 1 . 2]" 1
681 2 95 ALA H 2 98 LEU H 3.470 . 5.140 5.206 4.898 5.799 0.659 8 1 "[ . + 1 . 2]" 1
682 2 95 ALA MB 2 96 HIS H 2.700 . 3.600 2.763 2.501 3.028 . 0 0 "[ . 1 . 2]" 1
683 2 96 HIS H 2 97 CYS H 2.240 . 2.680 2.563 2.284 2.783 0.103 4 0 "[ . 1 . 2]" 1
684 2 96 HIS H 2 98 LEU H 3.150 . 4.500 4.574 4.065 4.990 0.490 17 0 "[ . 1 . 2]" 1
685 2 96 HIS H 2 99 GLY H 3.190 . 4.580 4.648 4.240 4.891 0.311 15 0 "[ . 1 . 2]" 1
686 2 97 CYS H 2 98 LEU H 2.360 . 2.920 2.779 2.444 3.000 0.080 13 0 "[ . 1 . 2]" 1
687 2 97 CYS H 2 99 GLY H 2.800 . 3.800 3.720 3.445 4.066 0.266 16 0 "[ . 1 . 2]" 1
688 2 97 CYS H 2 100 ALA H 3.440 . 5.080 4.828 4.379 5.204 0.124 16 0 "[ . 1 . 2]" 1
689 2 97 CYS H 2 101 TYR H 3.460 . 5.120 4.986 4.716 5.298 0.178 2 0 "[ . 1 . 2]" 1
690 2 98 LEU H 2 99 GLY H 2.200 . 2.600 2.467 2.257 2.734 0.134 19 0 "[ . 1 . 2]" 1
691 2 98 LEU H 2 100 ALA H 3.050 . 4.300 4.208 3.887 4.444 0.144 2 0 "[ . 1 . 2]" 1
692 2 98 LEU H 2 101 TYR H 3.460 . 5.120 4.941 4.649 5.164 0.044 18 0 "[ . 1 . 2]" 1
693 2 98 LEU H 2 102 CYS H 3.370 . 4.940 4.954 4.760 5.141 0.201 16 0 "[ . 1 . 2]" 1
694 2 99 GLY H 2 100 ALA H 2.110 . 2.420 2.442 2.222 2.653 0.233 8 0 "[ . 1 . 2]" 1
695 2 99 GLY H 2 100 ALA MB 3.440 . 5.080 4.185 3.891 4.520 . 0 0 "[ . 1 . 2]" 1
696 2 99 GLY H 2 101 TYR H 3.020 . 4.240 4.077 3.813 4.480 0.240 8 0 "[ . 1 . 2]" 1
697 2 99 GLY H 2 102 CYS H 3.140 . 4.480 4.807 4.396 5.177 0.697 20 5 "[ . * 1- .* * +]" 1
698 2 100 ALA H 2 101 TYR H 2.110 . 2.420 2.176 1.798 2.412 0.002 2 0 "[ . 1 . 2]" 1
699 2 100 ALA H 2 102 CYS H 2.380 . 2.960 3.574 2.969 4.171 1.211 12 12 "[ ** . *- **+ *** * *]" 1
700 2 100 ALA MB 2 101 TYR H 2.450 . 3.100 2.404 2.179 2.776 . 0 0 "[ . 1 . 2]" 1
701 2 100 ALA MB 2 133 PHE QE 3.050 . 4.300 4.163 2.131 6.881 2.581 1 6 "[+* . -**1 * . 2]" 1
702 2 101 TYR H 2 102 CYS H 2.320 . 2.840 2.742 2.479 2.971 0.131 18 0 "[ . 1 . 2]" 1
703 2 101 TYR QD 2 102 CYS H 3.170 . 4.540 3.250 2.589 3.764 . 0 0 "[ . 1 . 2]" 1
704 2 109 TYR H 2 110 ALA H 2.460 . 3.120 2.619 2.502 2.777 . 0 0 "[ . 1 . 2]" 1
705 2 109 TYR H 2 111 ARG H 2.980 . 4.160 3.899 3.686 4.163 0.003 14 0 "[ . 1 . 2]" 1
706 2 109 TYR H 2 112 GLU H 3.470 . 5.140 4.767 4.528 5.033 . 0 0 "[ . 1 . 2]" 1
707 2 109 TYR QD 2 110 ALA H 3.240 . 4.680 4.129 3.773 4.480 . 0 0 "[ . 1 . 2]" 1
708 2 110 ALA H 2 111 ARG H 2.240 . 2.680 2.628 2.510 2.719 0.039 1 0 "[ . 1 . 2]" 1
709 2 110 ALA H 2 112 GLU H 3.250 . 4.700 4.435 4.303 4.694 . 0 0 "[ . 1 . 2]" 1
710 2 110 ALA H 2 113 CYS H 3.480 . 5.160 4.864 4.761 5.029 . 0 0 "[ . 1 . 2]" 1
711 2 110 ALA MB 2 111 ARG H 2.700 . 3.600 2.544 2.398 2.788 . 0 0 "[ . 1 . 2]" 1
712 2 111 ARG H 2 112 GLU H 2.410 . 3.020 2.875 2.771 3.023 0.003 17 0 "[ . 1 . 2]" 1
713 2 111 ARG H 2 113 CYS H 3.110 . 4.410 4.069 3.919 4.265 . 0 0 "[ . 1 . 2]" 1
714 2 111 ARG H 2 114 ILE H 3.490 . 5.180 4.822 4.685 5.015 . 0 0 "[ . 1 . 2]" 1
715 2 112 GLU H 2 113 CYS H 2.310 . 2.820 2.587 2.496 2.734 . 0 0 "[ . 1 . 2]" 1
716 2 112 GLU H 2 114 ILE H 3.090 . 4.380 4.244 4.114 4.394 0.014 12 0 "[ . 1 . 2]" 1
717 2 112 GLU H 2 115 THR H 3.420 . 5.040 4.798 4.574 4.988 . 0 0 "[ . 1 . 2]" 1
718 2 113 CYS H 2 114 ILE H 2.360 . 2.920 2.678 2.562 2.932 0.012 4 0 "[ . 1 . 2]" 1
719 2 113 CYS H 2 115 THR H 3.150 . 4.500 4.169 3.872 4.490 . 0 0 "[ . 1 . 2]" 1
720 2 113 CYS H 2 116 SER H 3.490 . 5.180 4.715 4.529 4.946 . 0 0 "[ . 1 . 2]" 1
721 2 114 ILE H 2 115 THR H 2.230 . 2.660 2.668 2.437 2.819 0.159 16 0 "[ . 1 . 2]" 1
722 2 114 ILE H 2 116 SER H 3.110 . 4.420 4.046 3.883 4.345 . 0 0 "[ . 1 . 2]" 1
723 2 114 ILE MD 2 128 LEU QD 3.130 . 4.460 2.417 1.637 3.751 0.163 18 0 "[ . 1 . 2]" 1
724 2 115 THR H 2 116 SER H 2.360 . 2.920 2.707 2.600 2.818 . 0 0 "[ . 1 . 2]" 1
725 2 115 THR H 2 117 MET H 3.190 . 4.580 4.278 3.922 4.588 0.008 7 0 "[ . 1 . 2]" 1
726 2 115 THR H 2 118 VAL H 3.520 . 5.240 4.903 4.750 5.160 . 0 0 "[ . 1 . 2]" 1
727 2 116 SER H 2 117 MET H 2.410 . 3.020 2.650 2.536 2.801 . 0 0 "[ . 1 . 2]" 1
728 2 116 SER H 2 118 VAL H 3.090 . 4.380 4.105 3.924 4.266 . 0 0 "[ . 1 . 2]" 1
729 2 117 MET H 2 118 VAL H 2.360 . 2.920 2.625 2.509 2.821 . 0 0 "[ . 1 . 2]" 1
730 2 117 MET H 2 119 SER H 3.140 . 4.480 4.129 3.866 4.459 . 0 0 "[ . 1 . 2]" 1
731 2 118 VAL H 2 119 SER H 2.280 . 2.760 2.674 2.501 2.831 0.071 15 0 "[ . 1 . 2]" 1
732 2 118 VAL H 2 121 GLY H 3.510 . 5.220 4.859 4.573 5.192 . 0 0 "[ . 1 . 2]" 1
733 2 118 VAL MG1 2 119 SER H 3.280 . 4.760 3.483 3.292 3.726 . 0 0 "[ . 1 . 2]" 1
734 2 118 VAL MG1 2 123 PHE H 3.030 . 4.260 3.424 3.021 3.843 . 0 0 "[ . 1 . 2]" 1
735 2 118 VAL MG1 2 123 PHE QD 3.220 . 4.640 3.613 3.289 3.907 . 0 0 "[ . 1 . 2]" 1
736 2 118 VAL MG1 2 125 GLN H 3.340 . 4.880 4.348 3.252 5.410 0.530 8 1 "[ . + 1 . 2]" 1
737 2 118 VAL MG1 2 126 LEU H 3.180 . 4.560 3.137 1.971 3.852 . 0 0 "[ . 1 . 2]" 1
738 2 118 VAL MG2 2 119 SER H 3.270 . 4.740 3.824 3.748 3.939 . 0 0 "[ . 1 . 2]" 1
739 2 118 VAL MG2 2 126 LEU H 3.170 . 4.540 3.710 2.523 4.722 0.182 8 0 "[ . 1 . 2]" 1
740 2 119 SER H 2 121 GLY H 3.000 . 4.200 4.165 3.938 4.421 0.221 18 0 "[ . 1 . 2]" 1
741 2 119 SER H 2 123 PHE H 3.460 . 5.120 5.077 4.763 5.354 0.234 4 0 "[ . 1 . 2]" 1
742 2 121 GLY H 2 122 THR H 2.330 . 2.860 2.601 2.466 2.725 . 0 0 "[ . 1 . 2]" 1
743 2 121 GLY H 2 123 PHE H 2.760 . 3.720 3.949 3.454 4.408 0.688 1 1 "[+ . 1 . 2]" 1
744 2 122 THR H 2 123 PHE H 2.390 . 2.980 2.688 2.559 2.886 . 0 0 "[ . 1 . 2]" 1
745 2 125 GLN H 2 126 LEU H 3.300 . 4.800 4.592 4.426 4.648 . 0 0 "[ . 1 . 2]" 1
746 2 125 GLN H 3 125 GLN H 3.220 . 4.640 3.614 2.342 5.315 0.675 1 2 "[+ . 1 .- 2]" 1
747 2 126 LEU H 2 127 ASN H 2.750 . 3.700 3.853 3.318 4.325 0.625 12 3 "[ . 1 + . *- 2]" 1
748 2 126 LEU QD 2 127 ASN H 2.970 . 4.140 3.087 2.296 3.713 . 0 0 "[ . 1 . 2]" 1
749 2 127 ASN H 2 128 LEU H 3.270 . 4.740 4.387 4.161 4.539 . 0 0 "[ . 1 . 2]" 1
750 2 128 LEU H 2 129 ALA H 3.200 . 4.600 4.538 4.296 4.662 0.062 9 0 "[ . 1 . 2]" 1
751 2 131 VAL QG 2 133 PHE H 3.090 . 4.200 3.099 2.056 4.006 . 0 0 "[ . 1 . 2]" 1
752 2 131 VAL QG 2 133 PHE QD 3.320 . 4.830 2.996 1.774 4.079 0.026 4 0 "[ . 1 . 2]" 1
753 2 133 PHE H 2 134 ASP H 2.110 . 2.420 2.535 2.245 2.897 0.477 6 0 "[ . 1 . 2]" 1
754 2 133 PHE H 2 135 ALA H 2.980 . 4.160 4.542 3.790 5.292 1.132 10 8 "[** .* *+ **- 2]" 1
755 2 133 PHE QD 2 134 ASP H 2.350 . 2.900 3.938 2.896 4.790 1.890 2 17 "[*+* *********-** * *]" 1
756 2 133 PHE QE 2 134 ASP H 2.900 . 4.000 5.465 3.783 6.690 2.690 2 17 "[*+* -*********** * *]" 1
757 2 134 ASP H 2 135 ALA H 2.320 . 2.840 2.808 2.541 3.198 0.358 1 0 "[ . 1 . 2]" 1
758 2 134 ASP H 2 136 LEU H 3.440 . 5.080 4.241 3.705 4.832 . 0 0 "[ . 1 . 2]" 1
759 2 134 ASP H 2 137 PHE H 3.440 . 5.080 5.216 4.581 5.665 0.585 10 4 "[ * . -+ . * 2]" 1
760 2 135 ALA H 2 136 LEU H 2.490 . 3.180 2.645 2.368 3.040 . 0 0 "[ . 1 . 2]" 1
761 2 135 ALA H 2 137 PHE H 3.020 . 4.240 4.390 3.724 4.856 0.616 3 1 "[ + . 1 . 2]" 1
762 2 135 ALA H 2 138 MET H 3.390 . 4.980 4.815 4.496 5.355 0.375 18 0 "[ . 1 . 2]" 1
763 2 135 ALA MB 2 136 LEU H 2.430 . 3.060 2.732 2.383 3.020 . 0 0 "[ . 1 . 2]" 1
764 2 136 LEU H 2 137 PHE H 2.320 . 2.840 2.731 2.311 2.930 0.090 8 0 "[ . 1 . 2]" 1
765 2 136 LEU H 2 138 MET H 3.240 . 4.680 3.970 3.648 4.418 . 0 0 "[ . 1 . 2]" 1
766 2 136 LEU QD 2 137 PHE H 2.790 . 3.780 3.514 2.833 4.062 0.282 1 0 "[ . 1 . 2]" 1
767 2 136 LEU QD 2 137 PHE QD 3.150 . 4.500 3.623 2.333 4.959 0.459 5 0 "[ . 1 . 2]" 1
768 2 136 LEU QD 2 137 PHE QE 3.450 . 5.100 3.901 2.289 6.101 1.001 15 2 "[ - 1 + 2]" 1
769 2 136 LEU QD 2 140 TYR H 3.500 . 5.200 4.742 3.532 6.478 1.278 14 2 "[- . 1 +. 2]" 1
770 2 137 PHE H 2 138 MET H 2.380 . 2.960 2.567 2.339 2.796 . 0 0 "[ . 1 . 2]" 1
771 2 137 PHE H 2 139 ASN H 3.050 . 4.300 4.163 3.698 4.459 0.159 12 0 "[ . 1 . 2]" 1
772 2 137 PHE H 2 140 TYR H 3.340 . 4.880 5.002 4.429 5.611 0.731 14 2 "[ - . 1 +. 2]" 1
773 2 137 PHE QD 2 138 MET H 3.290 . 4.780 4.441 3.762 4.827 0.047 3 0 "[ . 1 . 2]" 1
774 2 138 MET H 2 139 ASN H 2.350 . 2.900 2.561 2.289 2.735 . 0 0 "[ . 1 . 2]" 1
775 2 138 MET H 2 140 TYR H 3.080 . 4.360 3.981 3.555 4.202 . 0 0 "[ . 1 . 2]" 1
776 2 138 MET H 2 141 LEU H 3.420 . 5.040 5.093 4.562 6.004 0.964 6 3 "[ - .+ * 1 . 2]" 1
777 2 139 ASN H 2 140 TYR H 2.200 . 2.600 2.466 2.326 2.626 0.026 8 0 "[ . 1 . 2]" 1
778 2 139 ASN H 2 141 LEU H 2.990 . 4.180 4.111 3.778 4.734 0.554 2 1 "[ + . 1 . 2]" 1
779 2 140 TYR H 2 141 LEU H 2.240 . 2.680 2.494 2.179 2.737 0.057 6 0 "[ . 1 . 2]" 1
780 2 140 TYR QD 2 141 LEU H 3.250 . 4.700 4.221 3.674 4.717 0.017 1 0 "[ . 1 . 2]" 1
781 2 140 TYR QD 2 141 LEU QD 3.260 . 4.720 3.547 2.133 5.392 0.672 2 3 "[*+ . 1 - . 2]" 1
782 3 9 MET H 3 10 THR H 2.890 . 3.980 3.923 3.640 4.350 0.370 2 0 "[ . 1 . 2]" 1
783 3 9 MET H 3 89 ILE H 2.630 . 3.460 6.057 4.346 7.179 3.719 8 20 [***-***+************] 1
784 3 9 MET ME 3 10 THR H 3.250 . 4.700 5.344 4.330 6.076 1.376 20 12 "[** *.*** 1 ***- * +]" 1
785 3 9 MET ME 3 11 PHE H 2.320 . 2.840 6.247 3.876 8.480 5.640 7 20 [******+********-****] 1
786 3 10 THR H 3 11 PHE H 2.750 . 3.700 4.075 3.775 4.437 0.737 1 3 "[+ . 1 * . - 2]" 1
787 3 10 THR H 3 86 ILE MD 3.250 . 4.700 6.677 4.098 8.484 3.784 11 18 [****.****1+*******-*] 1
788 3 10 THR H 3 87 ALA H 2.450 . 3.100 3.537 2.347 4.233 1.133 18 12 "[ *. **** ****+*-]" 1
789 3 10 THR H 3 89 ILE H 3.390 . 4.980 5.115 3.415 6.394 1.414 20 8 "[* * .* 1 ** -* +]" 1
790 3 11 PHE H 3 12 GLN H 3.250 . 4.700 4.383 4.177 4.540 . 0 0 "[ . 1 . 2]" 1
791 3 11 PHE QD 3 12 GLN H 2.770 . 3.740 3.201 2.136 4.133 0.393 5 0 "[ . 1 . 2]" 1
792 3 11 PHE QE 3 12 GLN H 3.430 . 5.060 4.683 3.653 6.099 1.039 5 5 "[- * + 1 *. *]" 1
793 3 11 PHE QE 3 84 PHE QD 3.260 . 4.720 4.108 2.393 6.010 1.290 1 5 "[+* - 1 * . *]" 1
794 3 12 GLN H 3 13 ILE H 2.880 . 3.960 4.128 3.710 4.351 0.391 10 0 "[ . 1 . 2]" 1
795 3 12 GLN H 3 85 SER H 2.670 . 3.540 3.355 2.906 3.840 0.300 2 0 "[ . 1 . 2]" 1
796 3 12 GLN H 3 86 ILE H 3.510 . 5.220 5.144 4.798 5.409 0.189 13 0 "[ . 1 . 2]" 1
797 3 13 ILE H 3 14 GLN H 3.320 . 4.830 4.449 4.273 4.599 . 0 0 "[ . 1 . 2]" 1
798 3 13 ILE H 3 85 SER H 3.450 . 5.100 5.023 4.721 5.298 0.198 14 0 "[ . 1 . 2]" 1
799 3 13 ILE MD 3 14 GLN H 3.400 . 5.000 4.906 3.773 5.438 0.438 14 0 "[ . 1 . 2]" 1
800 3 13 ILE MD 3 15 ARG H 3.400 . 5.000 6.016 4.618 6.564 1.564 17 17 "[*** **-**1******+* *]" 1
801 3 13 ILE MD 3 16 ILE MD 2.650 . 3.500 4.444 2.611 5.954 2.454 16 13 "[* * *- ****** .+* *]" 1
802 3 13 ILE MD 3 84 PHE QD 3.470 . 5.140 3.750 1.886 5.601 0.461 10 0 "[ . 1 . 2]" 1
803 3 13 ILE MD 3 84 PHE QE 3.050 . 4.300 3.837 1.988 5.744 1.444 10 3 "[ . * + .- 2]" 1
804 3 14 GLN H 3 15 ARG H 2.150 . 2.500 2.425 2.092 2.625 0.125 13 0 "[ . 1 . 2]" 1
805 3 14 GLN H 3 83 ILE H 3.320 . 4.840 4.676 4.238 5.068 0.228 2 0 "[ . 1 . 2]" 1
806 3 14 GLN H 3 85 SER H 3.070 . 4.340 3.997 3.310 4.665 0.325 3 0 "[ . 1 . 2]" 1
807 3 15 ARG H 3 16 ILE H 3.170 . 4.540 4.311 4.172 4.386 . 0 0 "[ . 1 . 2]" 1
808 3 15 ARG H 3 83 ILE H 2.800 . 3.800 3.309 3.047 3.594 . 0 0 "[ . 1 . 2]" 1
809 3 16 ILE H 3 17 TYR H 3.240 . 4.680 4.444 4.281 4.550 . 0 0 "[ . 1 . 2]" 1
810 3 16 ILE H 3 109 TYR QE 3.460 . 5.120 5.533 4.855 6.313 1.193 9 9 "[-* *.** +1 **. * 2]" 1
811 3 16 ILE MD 3 109 TYR QD 3.500 . 5.200 3.610 3.196 4.387 . 0 0 "[ . 1 . 2]" 1
812 3 16 ILE MD 3 109 TYR QE 2.870 . 3.940 2.484 2.135 3.063 . 0 0 "[ . 1 . 2]" 1
813 3 17 TYR H 3 18 THR H 3.190 . 4.580 4.326 4.277 4.381 . 0 0 "[ . 1 . 2]" 1
814 3 17 TYR H 3 81 GLY H 2.920 . 4.040 3.905 3.689 4.164 0.124 12 0 "[ . 1 . 2]" 1
815 3 17 TYR H 3 82 GLY H 3.460 . 5.120 5.076 4.705 5.245 0.125 14 0 "[ . 1 . 2]" 1
816 3 17 TYR QD 3 18 THR H 3.020 . 4.240 3.562 3.099 3.828 . 0 0 "[ . 1 . 2]" 1
817 3 17 TYR QD 4 32 PHE QE 3.340 . 4.880 3.418 3.093 3.667 . 0 0 "[ . 1 . 2]" 1
818 3 17 TYR QE 3 83 ILE H 3.340 . 4.880 3.265 2.819 3.605 . 0 0 "[ . 1 . 2]" 1
819 3 17 TYR QE 3 83 ILE MD 3.180 . 4.560 2.510 2.222 3.068 . 0 0 "[ . 1 . 2]" 1
820 3 17 TYR QE 4 28 ALA MB 3.400 . 5.000 1.930 1.809 2.274 . 0 0 "[ . 1 . 2]" 1
821 3 17 TYR QE 4 32 PHE QE 3.110 . 4.420 2.912 2.662 3.172 . 0 0 "[ . 1 . 2]" 1
822 3 18 THR H 3 19 LYS H 3.300 . 4.800 4.398 4.297 4.519 . 0 0 "[ . 1 . 2]" 1
823 3 18 THR H 3 81 GLY H 3.330 . 4.860 4.802 4.554 5.049 0.189 12 0 "[ . 1 . 2]" 1
824 3 18 THR H 4 121 GLY H 3.400 . 5.000 4.492 4.001 4.843 . 0 0 "[ . 1 . 2]" 1
825 3 18 THR H 4 122 THR H 3.500 . 5.200 4.894 4.562 5.292 0.092 16 0 "[ . 1 . 2]" 1
826 3 19 LYS H 3 20 ASP H 2.050 . 2.300 2.378 2.064 2.509 0.209 15 0 "[ . 1 . 2]" 1
827 3 19 LYS H 3 59 VAL MG1 3.390 . 4.980 4.435 3.799 4.928 . 0 0 "[ . 1 . 2]" 1
828 3 19 LYS H 3 79 GLN H 3.030 . 4.260 5.143 4.774 5.421 1.161 3 20 [**+******-**********] 1
829 3 19 LYS H 3 80 GLN H 3.480 . 5.160 5.048 4.905 5.587 0.427 12 0 "[ . 1 . 2]" 1
830 3 19 LYS H 3 81 GLY H 2.510 . 3.220 2.489 2.127 2.739 . 0 0 "[ . 1 . 2]" 1
831 3 20 ASP H 3 21 ILE H 3.190 . 4.580 4.263 4.054 4.320 . 0 0 "[ . 1 . 2]" 1
832 3 20 ASP H 3 59 VAL MG1 3.440 . 5.080 4.731 4.299 5.114 0.034 4 0 "[ . 1 . 2]" 1
833 3 20 ASP H 3 79 GLN H 2.490 . 3.180 3.474 3.189 3.859 0.679 12 2 "[ . 1 + -. 2]" 1
834 3 21 ILE H 3 22 SER H 3.020 . 4.240 4.311 4.254 4.380 0.140 12 0 "[ . 1 . 2]" 1
835 3 21 ILE H 3 79 GLN H 3.470 . 5.140 4.610 4.425 4.810 . 0 0 "[ . 1 . 2]" 1
836 3 21 ILE H 4 23 PHE H 2.720 . 3.640 2.797 2.458 3.041 . 0 0 "[ . 1 . 2]" 1
837 3 21 ILE H 4 23 PHE QD 3.440 . 5.080 3.328 3.032 3.760 . 0 0 "[ . 1 . 2]" 1
838 3 21 ILE H 4 24 GLU H 3.490 . 5.180 5.007 4.853 5.254 0.074 14 0 "[ . 1 . 2]" 1
839 3 21 ILE MD 3 78 VAL MG1 3.260 . 4.720 3.724 3.562 3.925 . 0 0 "[ . 1 . 2]" 1
840 3 22 SER H 3 23 PHE H 3.240 . 4.680 4.257 4.217 4.346 . 0 0 "[ . 1 . 2]" 1
841 3 22 SER H 3 77 GLU H 2.450 . 3.100 3.326 2.906 3.602 0.502 8 1 "[ . + 1 . 2]" 1
842 3 22 SER H 3 78 VAL H 3.460 . 5.120 4.979 4.809 5.083 . 0 0 "[ . 1 . 2]" 1
843 3 22 SER H 3 78 VAL MG2 3.260 . 4.720 3.017 2.616 3.524 . 0 0 "[ . 1 . 2]" 1
844 3 23 PHE H 3 24 GLU H 3.020 . 4.240 4.032 3.813 4.270 0.030 12 0 "[ . 1 . 2]" 1
845 3 23 PHE H 3 77 GLU H 3.460 . 5.120 4.749 4.532 5.054 . 0 0 "[ . 1 . 2]" 1
846 3 23 PHE H 4 21 ILE H 2.480 . 3.160 2.638 2.391 2.954 . 0 0 "[ . 1 . 2]" 1
847 3 23 PHE QD 3 24 GLU H 2.820 . 3.840 3.629 3.183 3.948 0.108 5 0 "[ . 1 . 2]" 1
848 3 23 PHE QD 4 21 ILE H 3.190 . 4.580 3.946 3.434 4.266 . 0 0 "[ . 1 . 2]" 1
849 3 23 PHE QD 4 21 ILE MD 3.160 . 4.520 3.182 2.696 3.557 . 0 0 "[ . 1 . 2]" 1
850 3 23 PHE QE 3 24 GLU H 3.470 . 5.140 4.628 4.056 5.013 . 0 0 "[ . 1 . 2]" 1
851 3 23 PHE QE 3 25 ALA MB 3.240 . 4.680 2.645 2.250 2.916 . 0 0 "[ . 1 . 2]" 1
852 3 23 PHE QE 3 74 PHE QD 3.250 . 4.700 2.503 2.257 2.881 . 0 0 "[ . 1 . 2]" 1
853 3 24 GLU H 3 25 ALA H 3.230 . 4.660 4.242 4.113 4.449 . 0 0 "[ . 1 . 2]" 1
854 3 24 GLU H 3 75 LEU H 2.670 . 3.540 3.298 2.869 3.659 0.119 19 0 "[ . 1 . 2]" 1
855 3 24 GLU H 4 21 ILE H 3.450 . 5.100 4.946 4.743 5.081 . 0 0 "[ . 1 . 2]" 1
856 3 25 ALA MB 3 28 ALA H 3.340 . 4.880 3.223 3.039 3.418 . 0 0 "[ . 1 . 2]" 1
857 3 25 ALA MB 3 28 ALA MB 3.110 . 4.420 1.922 1.734 2.156 0.066 7 0 "[ . 1 . 2]" 1
858 3 27 ASN H 3 28 ALA H 2.460 . 3.120 2.712 2.445 2.914 . 0 0 "[ . 1 . 2]" 1
859 3 28 ALA H 3 30 HIS H 2.940 . 4.080 4.157 3.971 4.620 0.540 11 1 "[ . 1+ . 2]" 1
860 3 28 ALA H 3 31 VAL H 3.480 . 5.160 4.885 4.652 5.069 . 0 0 "[ . 1 . 2]" 1
861 3 28 ALA MB 4 17 TYR QD 3.510 . 5.220 3.016 2.352 3.586 . 0 0 "[ . 1 . 2]" 1
862 3 28 ALA MB 4 17 TYR QE 3.220 . 4.640 1.858 1.470 2.788 0.330 11 0 "[ . 1 . 2]" 1
863 3 30 HIS H 3 31 VAL H 2.280 . 2.760 2.645 2.549 2.803 0.043 11 0 "[ . 1 . 2]" 1
864 3 30 HIS H 3 32 PHE H 3.180 . 4.560 4.380 3.835 4.742 0.182 9 0 "[ . 1 . 2]" 1
865 3 31 VAL H 3 32 PHE H 2.370 . 2.940 2.677 2.359 2.942 0.002 3 0 "[ . 1 . 2]" 1
866 3 31 VAL H 3 33 GLN H 3.230 . 4.660 4.528 4.056 4.952 0.292 19 0 "[ . 1 . 2]" 1
867 3 31 VAL QG 3 32 PHE H 2.420 . 3.040 2.699 2.244 3.477 0.437 19 0 "[ . 1 . 2]" 1
868 3 31 VAL QG 3 32 PHE QD 3.400 . 5.000 3.690 2.373 5.064 0.064 19 0 "[ . 1 . 2]" 1
869 3 31 VAL QG 3 36 TRP HE3 3.080 . 4.360 3.977 2.610 6.043 1.683 18 3 "[ . -1 * + 2]" 1
870 3 31 VAL QG 3 36 TRP HZ3 . . 2.480 3.220 1.807 6.029 3.549 18 8 "[ -** *1* * + *]" 1
871 3 32 PHE H 3 33 GLN H 2.350 . 2.900 2.700 2.573 2.895 . 0 0 "[ . 1 . 2]" 1
872 3 32 PHE H 3 34 LYS H 3.220 . 4.640 4.352 3.757 4.875 0.235 17 0 "[ . 1 . 2]" 1
873 3 32 PHE QD 3 33 GLN H 3.410 . 5.020 4.293 3.725 4.743 . 0 0 "[ . 1 . 2]" 1
874 3 32 PHE QE 4 83 ILE MD 3.300 . 4.800 4.174 1.850 6.214 1.414 17 9 "[ * * - 1*** * +* 2]" 1
875 3 33 GLN H 3 34 LYS H 2.390 . 2.980 2.729 2.378 3.354 0.374 13 0 "[ . 1 . 2]" 1
876 3 34 LYS H 3 35 ASP H 3.230 . 4.660 4.513 4.435 4.613 . 0 0 "[ . 1 . 2]" 1
877 3 35 ASP H 3 36 TRP H 3.290 . 4.780 4.517 4.384 4.593 . 0 0 "[ . 1 . 2]" 1
878 3 35 ASP H 3 68 LEU QD 2.470 . 3.140 3.398 2.532 5.289 2.149 20 8 "[ - ** 1* * * *+]" 1
879 3 36 TRP H 3 37 GLN H 2.870 . 3.940 3.843 3.589 4.172 0.232 13 0 "[ . 1 . 2]" 1
880 3 36 TRP HE3 3 37 GLN H 3.490 . 5.180 5.365 4.126 6.842 1.662 9 6 "[ .- +1* * * *]" 1
881 3 37 GLN H 3 68 LEU QD 3.340 . 3.660 2.678 1.983 2.988 . 0 0 "[ . 1 . 2]" 1
882 3 39 GLU H 3 40 VAL H 2.900 . 4.000 4.188 3.932 4.420 0.420 5 0 "[ . 1 . 2]" 1
883 3 39 GLU H 3 66 ALA MB 3.270 . 4.740 4.765 4.328 5.343 0.603 6 1 "[ .+ 1 . 2]" 1
884 3 39 GLU H 3 67 SER H 1.980 . 2.160 3.030 2.458 3.454 1.294 4 18 "[-**+**********.* ***]" 1
885 3 39 GLU H 3 68 LEU H 3.240 . 4.680 4.257 3.743 4.964 0.284 12 0 "[ . 1 . 2]" 1
886 3 40 VAL H 3 41 LYS H 3.160 . 4.520 4.359 4.136 4.587 0.067 6 0 "[ . 1 . 2]" 1
887 3 40 VAL MG1 3 41 LYS H 3.030 . 4.260 3.652 2.336 4.357 0.097 18 0 "[ . 1 . 2]" 1
888 3 40 VAL MG1 3 64 VAL QG 3.160 . 4.520 3.165 1.921 4.667 0.147 14 0 "[ . 1 . 2]" 1
889 3 40 VAL MG1 3 126 LEU MD2 3.360 . 4.920 3.123 1.974 4.562 . 0 0 "[ . 1 . 2]" 1
890 3 40 VAL MG2 3 66 ALA MB 3.440 . 5.080 3.571 2.074 5.483 0.403 11 0 "[ . 1 . 2]" 1
891 3 41 LYS H 3 42 LEU H 3.260 . 4.720 4.343 4.040 4.563 . 0 0 "[ . 1 . 2]" 1
892 3 41 LYS H 3 64 VAL QG 3.520 . 5.240 3.853 2.825 4.609 . 0 0 "[ . 1 . 2]" 1
893 3 41 LYS H 3 65 THR H 2.860 . 3.920 3.304 2.969 3.656 . 0 0 "[ . 1 . 2]" 1
894 3 42 LEU H 3 43 ASP H 3.290 . 4.780 4.476 4.234 4.596 . 0 0 "[ . 1 . 2]" 1
895 3 42 LEU QD 3 43 ASP H 2.570 . 3.340 3.280 2.221 4.250 0.910 11 4 "[ . 1+ - . ** 2]" 1
896 3 42 LEU QD 3 62 VAL QG 3.360 . 4.920 3.026 1.925 4.409 . 0 0 "[ . 1 . 2]" 1
897 3 42 LEU QD 3 64 VAL QG 3.390 . 4.980 2.852 1.781 4.299 0.019 16 0 "[ . 1 . 2]" 1
898 3 42 LEU QD 3 128 LEU QD 3.140 . 4.100 2.008 1.558 3.587 0.242 16 0 "[ . 1 . 2]" 1
899 3 42 LEU QD 3 131 VAL QG 3.500 . 5.200 3.554 2.370 5.128 . 0 0 "[ . 1 . 2]" 1
900 3 43 ASP H 3 44 LEU H 2.880 . 3.960 4.226 3.826 4.454 0.494 13 0 "[ . 1 . 2]" 1
901 3 43 ASP H 3 63 THR H 2.890 . 3.990 3.091 2.588 3.467 . 0 0 "[ . 1 . 2]" 1
902 3 44 LEU H 3 45 ASP H 3.220 . 4.640 4.278 3.975 4.561 . 0 0 "[ . 1 . 2]" 1
903 3 44 LEU H 3 63 THR H 3.360 . 4.920 4.979 4.696 5.246 0.326 19 0 "[ . 1 . 2]" 1
904 3 44 LEU QD 3 45 ASP H 3.270 . 4.660 3.230 2.427 4.427 . 0 0 "[ . 1 . 2]" 1
905 3 44 LEU QD 3 60 LEU QD 2.770 . 3.740 2.031 1.614 3.178 0.186 18 0 "[ . 1 . 2]" 1
906 3 44 LEU QD 3 61 ARG H 3.240 . 4.680 4.580 3.420 6.071 1.391 5 7 "[ -+** 1 * * * 2]" 1
907 3 44 LEU QD 3 62 VAL QG 2.800 . 3.800 2.907 2.058 4.597 0.797 13 1 "[ . 1 + . 2]" 1
908 3 44 LEU QD 3 133 PHE QE 3.450 . 4.000 3.109 1.804 7.970 3.970 18 2 "[ . -1 . + 2]" 1
909 3 45 ASP H 3 46 THR H 3.270 . 4.740 4.414 4.264 4.537 . 0 0 "[ . 1 . 2]" 1
910 3 45 ASP H 3 61 ARG H 2.820 . 3.840 3.426 2.778 4.042 0.202 12 0 "[ . 1 . 2]" 1
911 3 45 ASP H 3 62 VAL H 3.480 . 5.160 5.108 4.841 5.648 0.488 13 0 "[ . 1 . 2]" 1
912 3 45 ASP H 3 63 THR H 3.210 . 4.620 4.958 4.379 5.554 0.934 10 5 "[ *- *+ * . 2]" 1
913 3 46 THR H 3 47 ALA H 3.200 . 4.600 4.359 4.168 4.496 . 0 0 "[ . 1 . 2]" 1
914 3 47 ALA H 3 48 SER H 3.130 . 4.460 4.407 4.332 4.490 0.030 20 0 "[ . 1 . 2]" 1
915 3 47 ALA H 3 59 VAL H 3.050 . 4.300 3.571 3.266 3.972 . 0 0 "[ . 1 . 2]" 1
916 3 47 ALA H 3 61 ARG H 3.140 . 4.480 4.430 3.778 5.223 0.743 10 2 "[ . + . - 2]" 1
917 3 47 ALA MB 3 48 SER H 2.820 . 3.840 2.624 2.425 2.761 . 0 0 "[ . 1 . 2]" 1
918 3 48 SER H 3 49 SER H 3.190 . 4.580 4.331 4.254 4.399 . 0 0 "[ . 1 . 2]" 1
919 3 49 SER H 3 50 GLN H 3.180 . 4.560 4.280 4.046 4.420 . 0 0 "[ . 1 . 2]" 1
920 3 49 SER H 3 57 GLU H 2.740 . 3.680 3.006 2.702 3.355 . 0 0 "[ . 1 . 2]" 1
921 3 50 GLN H 3 51 LEU H 3.290 . 4.780 4.465 4.330 4.601 . 0 0 "[ . 1 . 2]" 1
922 3 50 GLN H 3 57 GLU H 3.470 . 5.140 5.033 4.585 5.572 0.432 3 0 "[ . 1 . 2]" 1
923 3 51 LEU H 3 52 ALA H 1.990 . 2.180 2.152 1.915 2.489 0.309 10 0 "[ . 1 . 2]" 1
924 3 51 LEU H 3 55 VAL H 3.220 . 4.640 4.624 4.391 4.851 0.211 14 0 "[ . 1 . 2]" 1
925 3 51 LEU H 3 55 VAL MG1 3.290 . 4.780 3.574 3.152 4.017 . 0 0 "[ . 1 . 2]" 1
926 3 51 LEU H 3 57 GLU H 3.050 . 4.300 4.108 3.463 5.005 0.705 17 1 "[ . 1 . + 2]" 1
927 3 51 LEU MD1 3 55 VAL MG1 2.910 . 4.020 2.179 1.816 2.607 . 0 0 "[ . 1 . 2]" 1
928 3 51 LEU MD1 3 57 GLU H 3.330 . 4.860 3.617 3.007 4.489 . 0 0 "[ . 1 . 2]" 1
929 3 51 LEU MD1 3 83 ILE MD 2.490 . 3.180 1.795 1.690 1.948 0.110 14 0 "[ . 1 . 2]" 1
930 3 52 ALA H 3 53 ASP H 3.170 . 4.540 4.304 4.253 4.336 . 0 0 "[ . 1 . 2]" 1
931 3 52 ALA H 3 55 VAL H 2.760 . 3.720 3.424 3.154 3.566 . 0 0 "[ . 1 . 2]" 1
932 3 52 ALA H 3 55 VAL MG1 2.890 . 3.990 3.436 3.016 3.694 . 0 0 "[ . 1 . 2]" 1
933 3 52 ALA H 3 55 VAL MG2 3.160 . 4.520 4.080 3.757 4.564 0.044 5 0 "[ . 1 . 2]" 1
934 3 52 ALA MB 3 53 ASP H 2.310 . 2.820 1.835 1.767 1.938 0.033 9 0 "[ . 1 . 2]" 1
935 3 52 ALA MB 3 55 VAL MG2 3.040 . 4.280 2.509 2.145 2.814 . 0 0 "[ . 1 . 2]" 1
936 3 53 ASP H 3 54 ASP H 3.270 . 4.740 4.405 4.293 4.508 . 0 0 "[ . 1 . 2]" 1
937 3 53 ASP H 3 55 VAL H 3.360 . 4.920 4.148 3.921 4.403 . 0 0 "[ . 1 . 2]" 1
938 3 53 ASP H 3 55 VAL MG2 3.350 . 4.900 3.978 3.443 4.398 . 0 0 "[ . 1 . 2]" 1
939 3 54 ASP H 3 55 VAL H 2.350 . 2.900 2.770 2.621 2.977 0.077 6 0 "[ . 1 . 2]" 1
940 3 54 ASP H 3 56 TYR QE 3.270 . 4.740 4.471 2.841 8.521 3.781 3 3 "[ -+ . 1 * 2]" 1
941 3 54 ASP H 3 87 ALA MB 3.240 . 4.680 4.924 2.269 7.170 2.490 10 10 "[ * . - *+* **.** *]" 1
942 3 55 VAL H 3 56 TYR H 2.930 . 4.060 4.217 3.918 4.418 0.358 8 0 "[ . 1 . 2]" 1
943 3 55 VAL H 3 56 TYR QD 3.210 . 4.620 4.215 3.326 5.709 1.089 15 2 "[ - . 1 + 2]" 1
944 3 55 VAL H 3 56 TYR QE 3.130 . 4.460 4.825 3.759 7.860 3.400 15 3 "[ -* . 1 + 2]" 1
945 3 55 VAL MG1 3 56 TYR H 3.070 . 4.340 3.033 2.850 3.448 . 0 0 "[ . 1 . 2]" 1
946 3 56 TYR H 3 57 GLU H 3.200 . 4.600 4.343 4.180 4.485 . 0 0 "[ . 1 . 2]" 1
947 3 56 TYR H 3 84 PHE H 3.000 . 4.200 3.764 3.426 4.279 0.079 13 0 "[ . 1 . 2]" 1
948 3 56 TYR H 3 86 ILE H 3.020 . 4.240 3.456 2.885 4.799 0.559 16 1 "[ . 1 .+ 2]" 1
949 3 56 TYR QD 3 57 GLU H 3.460 . 5.120 4.034 3.651 4.521 . 0 0 "[ . 1 . 2]" 1
950 3 56 TYR QE 3 87 ALA MB 3.500 . 5.200 4.792 1.623 9.070 3.870 15 6 "[ * . * *-+* 2]" 1
951 3 57 GLU H 3 58 VAL H 3.170 . 4.540 4.359 4.097 4.539 . 0 0 "[ . 1 . 2]" 1
952 3 58 VAL H 3 59 VAL H 3.260 . 4.720 4.289 4.099 4.431 . 0 0 "[ . 1 . 2]" 1
953 3 58 VAL H 3 82 GLY H 2.850 . 3.900 3.305 2.913 3.593 . 0 0 "[ . 1 . 2]" 1
954 3 58 VAL H 3 84 PHE H 3.010 . 4.220 4.078 3.367 4.575 0.355 9 0 "[ . 1 . 2]" 1
955 3 58 VAL H 3 84 PHE QD 3.470 . 5.140 3.160 2.774 3.749 . 0 0 "[ . 1 . 2]" 1
956 3 58 VAL MG1 3 59 VAL H 2.570 . 3.340 2.999 2.614 3.237 . 0 0 "[ . 1 . 2]" 1
957 3 58 VAL MG2 3 59 VAL H 3.420 . 5.040 4.194 4.004 4.365 . 0 0 "[ . 1 . 2]" 1
958 3 58 VAL MG2 3 98 LEU QD 3.350 . 4.900 2.582 1.947 4.328 . 0 0 "[ . 1 . 2]" 1
959 3 59 VAL H 3 60 LEU H 3.220 . 4.640 4.363 4.176 4.454 . 0 0 "[ . 1 . 2]" 1
960 3 59 VAL MG1 3 60 LEU H 2.450 . 3.100 2.624 2.426 3.089 . 0 0 "[ . 1 . 2]" 1
961 3 59 VAL MG1 3 80 GLN H 2.910 . 4.020 3.486 2.986 4.072 0.052 9 0 "[ . 1 . 2]" 1
962 3 59 VAL MG1 3 81 GLY H 3.280 . 4.760 3.967 3.556 4.990 0.230 9 0 "[ . 1 . 2]" 1
963 3 59 VAL MG2 3 60 LEU H 3.430 . 5.060 4.132 3.991 4.283 . 0 0 "[ . 1 . 2]" 1
964 3 59 VAL MG2 3 82 GLY H 3.180 . 4.560 3.450 2.886 4.212 . 0 0 "[ . 1 . 2]" 1
965 3 60 LEU H 3 61 ARG H 3.140 . 4.480 4.078 3.873 4.321 . 0 0 "[ . 1 . 2]" 1
966 3 60 LEU H 3 80 GLN H 2.480 . 3.160 3.499 2.970 3.938 0.778 20 7 "[** -.** 1 *. +]" 1
967 3 60 LEU H 3 81 GLY H 3.510 . 5.220 5.084 4.637 5.817 0.597 20 1 "[ . 1 . +]" 1
968 3 60 LEU QD 3 61 ARG H 3.010 . 4.220 3.200 2.519 4.490 0.270 18 0 "[ . 1 . 2]" 1
969 3 60 LEU QD 3 133 PHE QE 3.510 . 3.540 4.331 2.040 9.204 5.664 9 8 "[* *. +**- . * *]" 1
970 3 61 ARG H 3 62 VAL H 3.220 . 4.640 4.372 4.218 4.535 . 0 0 "[ . 1 . 2]" 1
971 3 62 VAL H 3 63 THR H 3.090 . 4.380 4.281 3.954 4.510 0.130 16 0 "[ . 1 . 2]" 1
972 3 62 VAL H 3 78 VAL H 2.440 . 3.080 3.218 2.918 3.601 0.521 20 1 "[ . 1 . +]" 1
973 3 62 VAL H 3 80 GLN H 3.340 . 4.880 3.917 3.681 4.259 . 0 0 "[ . 1 . 2]" 1
974 3 62 VAL QG 3 63 THR H 2.940 . 4.080 2.829 2.467 3.325 . 0 0 "[ . 1 . 2]" 1
975 3 62 VAL QG 3 64 VAL QG 3.020 . 4.240 2.634 2.150 2.908 . 0 0 "[ . 1 . 2]" 1
976 3 62 VAL QG 3 110 ALA MB 2.850 . 3.900 2.066 1.771 2.295 0.029 3 0 "[ . 1 . 2]" 1
977 3 62 VAL QG 3 114 ILE MD 2.470 . 3.150 2.011 1.802 2.266 . 0 0 "[ . 1 . 2]" 1
978 3 62 VAL QG 3 128 LEU QD 3.500 . 5.200 2.765 1.923 3.441 . 0 0 "[ . 1 . 2]" 1
979 3 63 THR H 3 64 VAL H 3.270 . 4.740 4.230 4.104 4.415 . 0 0 "[ . 1 . 2]" 1
980 3 64 VAL H 3 65 THR H 3.010 . 4.220 4.223 3.998 4.431 0.211 20 0 "[ . 1 . 2]" 1
981 3 64 VAL H 3 75 LEU MD1 3.270 . 4.740 4.044 3.740 4.430 . 0 0 "[ . 1 . 2]" 1
982 3 64 VAL H 3 75 LEU MD2 2.700 . 3.600 3.849 3.242 4.360 0.760 20 3 "[ . - .* +]" 1
983 3 64 VAL H 3 76 CYS H 2.440 . 3.080 3.270 3.018 3.634 0.554 16 1 "[ . 1 .+ 2]" 1
984 3 64 VAL QG 3 65 THR H 2.920 . 4.040 2.899 2.538 3.071 . 0 0 "[ . 1 . 2]" 1
985 3 64 VAL QG 3 114 ILE MD 3.070 . 4.340 1.920 1.728 2.220 0.072 17 0 "[ . 1 . 2]" 1
986 3 64 VAL QG 3 126 LEU MD2 3.130 . 4.460 2.774 1.855 5.279 0.819 19 1 "[ . 1 . +2]" 1
987 3 64 VAL QG 3 128 LEU QD 3.050 . 4.300 2.311 1.712 3.064 0.088 13 0 "[ . 1 . 2]" 1
988 3 65 THR H 3 66 ALA H 3.260 . 4.720 4.459 4.263 4.540 . 0 0 "[ . 1 . 2]" 1
989 3 65 THR H 3 75 LEU MD2 2.970 . 4.140 3.868 3.737 4.250 0.110 20 0 "[ . 1 . 2]" 1
990 3 66 ALA H 3 67 SER H 3.030 . 4.260 4.012 3.746 4.236 . 0 0 "[ . 1 . 2]" 1
991 3 66 ALA H 3 73 ALA H 3.050 . 4.300 4.589 4.253 5.013 0.713 13 2 "[ . 1 + .- 2]" 1
992 3 66 ALA H 3 73 ALA MB 3.420 . 5.040 4.224 3.983 4.453 . 0 0 "[ . 1 . 2]" 1
993 3 66 ALA H 3 74 PHE H 2.680 . 3.570 3.386 3.138 3.626 0.056 13 0 "[ . 1 . 2]" 1
994 3 66 ALA H 3 75 LEU MD2 3.450 . 5.100 3.633 3.285 3.899 . 0 0 "[ . 1 . 2]" 1
995 3 66 ALA MB 3 67 SER H 2.990 . 4.180 3.424 3.141 3.568 . 0 0 "[ . 1 . 2]" 1
996 3 66 ALA MB 3 73 ALA MB 3.110 . 4.420 2.159 1.909 2.447 . 0 0 "[ . 1 . 2]" 1
997 3 66 ALA MB 3 74 PHE H 3.340 . 4.880 2.423 2.164 2.577 . 0 0 "[ . 1 . 2]" 1
998 3 67 SER H 3 68 LEU H 3.180 . 4.560 4.295 4.150 4.445 . 0 0 "[ . 1 . 2]" 1
999 3 67 SER H 3 69 GLY H 3.510 . 5.220 4.853 4.571 5.233 0.013 11 0 "[ . 1 . 2]" 1
1000 3 67 SER H 3 73 ALA H 3.380 . 4.960 4.422 4.222 4.587 . 0 0 "[ . 1 . 2]" 1
1001 3 68 LEU H 3 69 GLY H 2.600 . 3.400 3.007 2.269 3.489 0.089 10 0 "[ . 1 . 2]" 1
1002 3 68 LEU H 3 70 GLU H 3.460 . 5.120 5.423 4.397 5.777 0.657 14 7 "[** -* * +. *2]" 1
1003 3 68 LEU H 3 71 GLU H 3.280 . 4.760 4.336 3.210 4.746 . 0 0 "[ . 1 . 2]" 1
1004 3 68 LEU H 3 73 ALA H 3.350 . 4.900 3.929 3.436 4.588 . 0 0 "[ . 1 . 2]" 1
1005 3 69 GLY H 3 70 GLU H 2.960 . 4.120 4.208 3.668 4.422 0.302 8 0 "[ . 1 . 2]" 1
1006 3 69 GLY H 3 71 GLU H 3.430 . 5.060 4.453 3.682 4.916 . 0 0 "[ . 1 . 2]" 1
1007 3 70 GLU H 3 71 GLU H 1.910 . 2.020 2.164 2.013 2.245 0.225 3 0 "[ . 1 . 2]" 1
1008 3 71 GLU H 3 72 THR H 3.160 . 4.520 4.288 4.088 4.459 . 0 0 "[ . 1 . 2]" 1
1009 3 72 THR H 3 73 ALA H 3.290 . 4.780 4.491 4.356 4.580 . 0 0 "[ . 1 . 2]" 1
1010 3 73 ALA H 3 74 PHE H 2.390 . 2.980 2.639 2.496 2.807 . 0 0 "[ . 1 . 2]" 1
1011 3 73 ALA MB 3 74 PHE H 2.390 . 2.980 2.182 2.020 2.372 . 0 0 "[ . 1 . 2]" 1
1012 3 73 ALA MB 3 74 PHE QD 3.370 . 4.940 2.541 2.294 2.924 . 0 0 "[ . 1 . 2]" 1
1013 3 74 PHE H 3 75 LEU H 3.070 . 4.340 4.353 4.295 4.385 0.045 5 0 "[ . 1 . 2]" 1
1014 3 74 PHE QD 3 75 LEU H 3.220 . 4.640 2.953 2.684 3.415 . 0 0 "[ . 1 . 2]" 1
1015 3 74 PHE QD 3 123 PHE QE 3.010 . 4.220 3.877 3.303 4.635 0.415 13 0 "[ . 1 . 2]" 1
1016 3 74 PHE QE 3 118 VAL MG1 3.230 . 4.660 3.102 2.321 3.806 . 0 0 "[ . 1 . 2]" 1
1017 3 74 PHE QE 3 118 VAL MG2 3.500 . 5.200 2.827 2.125 4.701 . 0 0 "[ . 1 . 2]" 1
1018 3 74 PHE QE 3 123 PHE QD 3.090 . 4.380 4.105 3.637 4.694 0.314 10 0 "[ . 1 . 2]" 1
1019 3 74 PHE QE 3 123 PHE QE 2.960 . 4.120 5.091 4.165 5.799 1.679 10 16 "[****** *-+* **.** **]" 1
1020 3 75 LEU H 3 76 CYS H 3.240 . 4.680 4.298 4.179 4.398 . 0 0 "[ . 1 . 2]" 1
1021 3 75 LEU MD1 3 76 CYS H 2.560 . 3.320 2.263 2.075 2.722 . 0 0 "[ . 1 . 2]" 1
1022 3 75 LEU MD1 3 77 GLU H 3.200 . 4.600 3.656 3.007 3.995 . 0 0 "[ . 1 . 2]" 1
1023 3 75 LEU MD2 3 76 CYS H 2.450 . 3.100 2.379 2.137 2.805 . 0 0 "[ . 1 . 2]" 1
1024 3 76 CYS H 3 77 GLU H 3.200 . 4.600 4.290 3.966 4.475 . 0 0 "[ . 1 . 2]" 1
1025 3 77 GLU H 3 78 VAL H 3.080 . 4.360 4.194 4.007 4.344 . 0 0 "[ . 1 . 2]" 1
1026 3 77 GLU H 3 78 VAL MG2 3.310 . 4.820 3.576 3.334 3.899 . 0 0 "[ . 1 . 2]" 1
1027 3 78 VAL H 3 79 GLN H 3.200 . 4.600 4.060 3.839 4.382 . 0 0 "[ . 1 . 2]" 1
1028 3 78 VAL MG1 3 79 GLN H 2.560 . 3.320 3.088 2.524 3.278 . 0 0 "[ . 1 . 2]" 1
1029 3 78 VAL MG1 3 80 GLN H 3.210 . 4.620 3.106 2.720 3.580 . 0 0 "[ . 1 . 2]" 1
1030 3 78 VAL MG1 3 110 ALA MB 3.390 . 4.980 2.641 2.109 3.257 . 0 0 "[ . 1 . 2]" 1
1031 3 78 VAL MG2 3 79 GLN H 3.410 . 5.020 4.181 4.020 4.296 . 0 0 "[ . 1 . 2]" 1
1032 3 78 VAL MG2 3 114 ILE H 3.440 . 5.080 3.037 2.725 3.199 . 0 0 "[ . 1 . 2]" 1
1033 3 79 GLN H 3 80 GLN H 3.020 . 4.240 4.079 3.969 4.254 0.014 16 0 "[ . 1 . 2]" 1
1034 3 80 GLN H 3 81 GLY H 3.210 . 4.620 4.402 4.252 4.528 . 0 0 "[ . 1 . 2]" 1
1035 3 80 GLN H 3 110 ALA MB 3.040 . 4.280 3.548 3.298 3.770 . 0 0 "[ . 1 . 2]" 1
1036 3 81 GLY H 3 82 GLY H 3.280 . 4.760 4.546 4.488 4.590 . 0 0 "[ . 1 . 2]" 1
1037 3 82 GLY H 3 83 ILE H 2.910 . 4.020 4.092 3.959 4.229 0.209 1 0 "[ . 1 . 2]" 1
1038 3 82 GLY H 3 83 ILE MD 3.170 . 4.540 3.567 3.054 4.024 . 0 0 "[ . 1 . 2]" 1
1039 3 83 ILE H 3 84 PHE H 3.160 . 4.520 4.422 4.333 4.472 . 0 0 "[ . 1 . 2]" 1
1040 3 83 ILE MD 3 84 PHE H 3.510 . 5.220 3.946 3.675 4.090 . 0 0 "[ . 1 . 2]" 1
1041 3 84 PHE H 3 85 SER H 3.180 . 4.560 4.150 4.060 4.310 . 0 0 "[ . 1 . 2]" 1
1042 3 84 PHE QD 3 85 SER H 3.460 . 5.120 4.500 4.178 4.806 . 0 0 "[ . 1 . 2]" 1
1043 3 85 SER H 3 86 ILE H 3.080 . 4.360 4.360 4.049 4.639 0.279 3 0 "[ . 1 . 2]" 1
1044 3 86 ILE H 3 87 ALA H 3.140 . 4.480 4.164 3.755 4.440 . 0 0 "[ . 1 . 2]" 1
1045 3 86 ILE H 3 87 ALA MB 3.470 . 5.140 4.365 3.888 4.980 . 0 0 "[ . 1 . 2]" 1
1046 3 86 ILE MD 3 87 ALA H 2.650 . 3.500 4.613 2.043 5.465 1.965 11 15 "[**-*.****1+** .** **]" 1
1047 3 86 ILE MD 3 88 GLY H 3.350 . 4.900 5.879 3.619 8.367 3.467 11 12 "[** .** *1+** *-* *]" 1
1048 3 86 ILE MD 3 94 MET ME 2.460 . 3.120 3.981 1.904 6.344 3.224 16 13 "[ * .** *1* *-*+****]" 1
1049 3 87 ALA H 3 88 GLY H 3.090 . 4.380 3.228 1.630 4.389 0.170 4 0 "[ . 1 . 2]" 1
1050 3 87 ALA MB 3 88 GLY H 2.750 . 3.700 2.955 1.875 3.718 0.018 12 0 "[ . 1 . 2]" 1
1051 3 88 GLY H 3 89 ILE H 2.750 . 3.700 3.070 2.201 4.289 0.589 6 2 "[ .+ 1 . -2]" 1
1052 3 88 GLY H 3 94 MET ME 3.300 . 4.800 5.223 1.876 7.844 3.044 9 10 "[-** * * +* *. **2]" 1
1053 3 89 ILE H 3 90 GLU H 3.070 . 4.340 3.751 2.337 4.690 0.350 2 0 "[ . 1 . 2]" 1
1054 3 89 ILE MD 3 90 GLU H 2.210 . 2.620 4.261 2.277 5.705 3.085 11 19 [*****-****+***.*****] 1
1055 3 89 ILE MD 3 91 GLY H 2.170 . 2.540 5.367 3.506 8.079 5.539 7 20 [******+************-] 1
1056 3 90 GLU H 3 91 GLY H 1.900 . 2.000 3.211 1.706 4.640 2.640 13 12 "[ * **** *- +*** *2]" 1
1057 3 90 GLU H 3 94 MET H 3.050 . 4.300 3.823 2.966 5.000 0.700 15 1 "[ . 1 + 2]" 1
1058 3 91 GLY H 3 92 THR H 3.340 . 4.880 4.484 4.241 4.614 . 0 0 "[ . 1 . 2]" 1
1059 3 91 GLY H 3 93 GLN H 3.510 . 5.220 4.851 4.468 5.486 0.266 5 0 "[ . 1 . 2]" 1
1060 3 91 GLY H 3 94 MET H 3.170 . 4.540 4.075 3.347 4.976 0.436 15 0 "[ . 1 . 2]" 1
1061 3 92 THR H 3 93 GLN H 2.340 . 2.880 2.565 2.397 2.903 0.023 17 0 "[ . 1 . 2]" 1
1062 3 92 THR H 3 94 MET H 3.430 . 5.060 4.449 4.088 5.465 0.405 15 0 "[ . 1 . 2]" 1
1063 3 93 GLN H 3 94 MET H 2.450 . 3.100 2.728 2.445 3.222 0.122 15 0 "[ . 1 . 2]" 1
1064 3 93 GLN H 3 95 ALA H 3.030 . 4.260 3.968 3.583 4.794 0.534 14 1 "[ . 1 +. 2]" 1
1065 3 94 MET H 3 95 ALA H 2.360 . 2.920 2.681 2.513 2.998 0.078 14 0 "[ . 1 . 2]" 1
1066 3 94 MET H 3 97 CYS H 3.340 . 4.880 5.090 4.607 5.916 1.036 15 7 "[ * .- * ** +* 2]" 1
1067 3 94 MET ME 3 98 LEU QD 3.360 . 4.920 3.334 1.883 5.180 0.260 2 0 "[ . 1 . 2]" 1
1068 3 95 ALA H 3 96 HIS H 2.530 . 3.260 2.666 2.469 2.846 . 0 0 "[ . 1 . 2]" 1
1069 3 95 ALA H 3 97 CYS H 2.880 . 3.960 4.286 3.695 4.788 0.828 3 7 "[ + .* * ** * -2]" 1
1070 3 95 ALA MB 3 96 HIS H 2.390 . 2.980 2.767 2.377 3.016 0.036 15 0 "[ . 1 . 2]" 1
1071 3 95 ALA MB 3 97 CYS H 3.450 . 5.100 4.700 4.220 5.080 . 0 0 "[ . 1 . 2]" 1
1072 3 96 HIS H 3 97 CYS H 2.200 . 2.600 2.615 2.351 3.045 0.445 15 0 "[ . 1 . 2]" 1
1073 3 96 HIS H 3 98 LEU H 3.390 . 4.980 4.135 3.726 4.641 . 0 0 "[ . 1 . 2]" 1
1074 3 96 HIS H 3 99 GLY H 3.270 . 4.740 4.617 4.137 5.057 0.317 20 0 "[ . 1 . 2]" 1
1075 3 97 CYS H 3 98 LEU H 2.460 . 3.120 2.607 2.378 2.987 . 0 0 "[ . 1 . 2]" 1
1076 3 97 CYS H 3 99 GLY H 2.820 . 3.840 3.991 3.522 4.419 0.579 15 2 "[ . 1 + -]" 1
1077 3 97 CYS H 3 100 ALA H 3.490 . 5.180 4.973 4.615 5.314 0.134 18 0 "[ . 1 . 2]" 1
1078 3 97 CYS H 3 101 TYR H 3.370 . 4.940 5.131 4.677 5.544 0.604 5 4 "[ + - * . *2]" 1
1079 3 98 LEU H 3 99 GLY H 2.010 . 2.220 2.530 2.334 2.803 0.583 15 1 "[ . 1 + 2]" 1
1080 3 98 LEU H 3 100 ALA H 2.980 . 4.160 4.125 3.921 4.565 0.405 9 0 "[ . 1 . 2]" 1
1081 3 98 LEU H 3 101 TYR H 3.350 . 4.900 4.925 4.572 5.342 0.442 9 0 "[ . 1 . 2]" 1
1082 3 98 LEU H 3 102 CYS H 3.340 . 4.880 5.044 4.758 5.423 0.543 10 1 "[ . + . 2]" 1
1083 3 98 LEU QD 3 99 GLY H 3.240 . 4.680 3.540 2.181 4.023 . 0 0 "[ . 1 . 2]" 1
1084 3 99 GLY H 3 100 ALA H 2.230 . 2.660 2.544 2.310 2.722 0.062 18 0 "[ . 1 . 2]" 1
1085 3 99 GLY H 3 100 ALA MB 3.490 . 5.180 4.154 3.839 4.614 . 0 0 "[ . 1 . 2]" 1
1086 3 99 GLY H 3 101 TYR H 3.020 . 4.240 4.364 3.709 4.824 0.584 10 1 "[ . + . 2]" 1
1087 3 99 GLY H 3 102 CYS H 3.230 . 4.660 4.890 4.317 5.300 0.640 10 2 "[ - . + . 2]" 1
1088 3 100 ALA H 3 101 TYR H 2.070 . 2.340 2.281 1.865 2.561 0.221 10 0 "[ . 1 . 2]" 1
1089 3 100 ALA H 3 102 CYS H 2.410 . 3.020 3.426 3.121 3.826 0.806 13 7 "[ * * * * + .- *]" 1
1090 3 100 ALA MB 3 101 TYR H 2.500 . 3.200 2.294 2.015 2.641 . 0 0 "[ . 1 . 2]" 1
1091 3 100 ALA MB 3 134 ASP H 3.180 . 4.560 3.522 2.083 4.837 0.277 4 0 "[ . 1 . 2]" 1
1092 3 101 TYR H 3 102 CYS H 2.310 . 2.820 2.783 2.579 2.957 0.137 18 0 "[ . 1 . 2]" 1
1093 3 101 TYR QD 3 102 CYS H 3.290 . 4.780 3.668 2.894 4.722 . 0 0 "[ . 1 . 2]" 1
1094 3 101 TYR QE 3 105 ILE MD 3.410 . 5.020 3.970 2.797 6.902 1.882 20 3 "[ . * 1 . - +]" 1
1095 3 109 TYR H 3 110 ALA H 2.360 . 2.920 2.644 2.577 2.717 . 0 0 "[ . 1 . 2]" 1
1096 3 109 TYR H 3 111 ARG H 3.110 . 4.410 3.893 3.703 4.024 . 0 0 "[ . 1 . 2]" 1
1097 3 109 TYR QD 3 110 ALA H 3.430 . 5.060 4.076 3.888 4.293 . 0 0 "[ . 1 . 2]" 1
1098 3 110 ALA H 3 111 ARG H 2.170 . 2.540 2.554 2.447 2.623 0.083 17 0 "[ . 1 . 2]" 1
1099 3 110 ALA H 3 112 GLU H 3.120 . 4.440 4.467 4.192 4.686 0.246 4 0 "[ . 1 . 2]" 1
1100 3 110 ALA H 3 113 CYS H 3.480 . 5.160 4.984 4.681 5.145 . 0 0 "[ . 1 . 2]" 1
1101 3 110 ALA MB 3 111 ARG H 2.660 . 3.520 2.606 2.443 2.903 . 0 0 "[ . 1 . 2]" 1
1102 3 111 ARG H 3 112 GLU H 2.400 . 3.000 2.845 2.591 3.000 . 0 0 "[ . 1 . 2]" 1
1103 3 111 ARG H 3 113 CYS H 3.120 . 4.440 4.103 3.882 4.298 . 0 0 "[ . 1 . 2]" 1
1104 3 111 ARG H 3 114 ILE H 3.480 . 5.160 4.846 4.691 4.969 . 0 0 "[ . 1 . 2]" 1
1105 3 112 GLU H 3 113 CYS H 2.320 . 2.840 2.590 2.500 2.663 . 0 0 "[ . 1 . 2]" 1
1106 3 112 GLU H 3 114 ILE H 3.140 . 4.480 4.181 3.987 4.378 . 0 0 "[ . 1 . 2]" 1
1107 3 112 GLU H 3 115 THR H 3.460 . 5.120 4.781 4.492 5.023 . 0 0 "[ . 1 . 2]" 1
1108 3 113 CYS H 3 114 ILE H 2.340 . 2.880 2.669 2.542 2.854 . 0 0 "[ . 1 . 2]" 1
1109 3 113 CYS H 3 115 THR H 3.160 . 4.520 4.175 3.969 4.534 0.014 14 0 "[ . 1 . 2]" 1
1110 3 113 CYS H 3 116 SER H 3.490 . 5.180 4.720 4.613 4.906 . 0 0 "[ . 1 . 2]" 1
1111 3 114 ILE H 3 115 THR H 2.310 . 2.820 2.629 2.444 2.751 . 0 0 "[ . 1 . 2]" 1
1112 3 114 ILE H 3 116 SER H 3.100 . 4.400 3.998 3.867 4.162 . 0 0 "[ . 1 . 2]" 1
1113 3 114 ILE H 3 117 MET H 3.410 . 5.020 4.746 4.619 4.857 . 0 0 "[ . 1 . 2]" 1
1114 3 115 THR H 3 116 SER H 2.380 . 2.960 2.641 2.536 2.747 . 0 0 "[ . 1 . 2]" 1
1115 3 115 THR H 3 117 MET H 3.160 . 4.520 4.183 4.007 4.394 . 0 0 "[ . 1 . 2]" 1
1116 3 115 THR H 3 118 VAL H 3.370 . 4.940 4.849 4.682 5.182 0.242 3 0 "[ . 1 . 2]" 1
1117 3 116 SER H 3 117 MET H 2.290 . 2.780 2.575 2.428 2.692 . 0 0 "[ . 1 . 2]" 1
1118 3 116 SER H 3 118 VAL H 3.000 . 4.200 4.062 3.881 4.269 0.069 5 0 "[ . 1 . 2]" 1
1119 3 116 SER H 3 119 SER H 3.360 . 4.920 4.792 4.583 5.072 0.152 9 0 "[ . 1 . 2]" 1
1120 3 117 MET H 3 118 VAL H 2.290 . 2.780 2.716 2.514 2.907 0.127 20 0 "[ . 1 . 2]" 1
1121 3 117 MET H 3 119 SER H 3.150 . 4.500 4.157 3.818 4.338 . 0 0 "[ . 1 . 2]" 1
1122 3 117 MET ME 4 21 ILE MD 2.420 . 3.040 1.877 1.666 2.002 0.134 20 0 "[ . 1 . 2]" 1
1123 3 118 VAL H 3 119 SER H 2.260 . 2.730 2.630 2.514 2.729 . 0 0 "[ . 1 . 2]" 1
1124 3 118 VAL MG1 3 119 SER H 3.060 . 4.320 3.628 3.307 4.024 . 0 0 "[ . 1 . 2]" 1
1125 3 118 VAL MG1 3 123 PHE H 3.210 . 4.620 3.822 3.098 5.564 0.944 20 4 "[* * . 1 .- +]" 1
1126 3 118 VAL MG1 3 123 PHE QD 2.920 . 4.040 3.465 2.917 4.235 0.195 1 0 "[ . 1 . 2]" 1
1127 3 118 VAL MG2 3 119 SER H 3.280 . 4.760 3.571 2.246 3.971 . 0 0 "[ . 1 . 2]" 1
1128 3 119 SER H 3 121 GLY H 3.090 . 4.380 4.090 3.812 4.299 . 0 0 "[ . 1 . 2]" 1
1129 3 121 GLY H 3 122 THR H 2.360 . 2.920 2.604 2.487 2.760 . 0 0 "[ . 1 . 2]" 1
1130 3 121 GLY H 3 123 PHE H 2.890 . 3.990 3.913 3.497 4.400 0.410 2 0 "[ . 1 . 2]" 1
1131 3 121 GLY H 4 18 THR H 3.240 . 4.680 4.313 4.006 4.734 0.054 7 0 "[ . 1 . 2]" 1
1132 3 122 THR H 3 123 PHE H 2.440 . 3.080 2.678 2.537 2.832 . 0 0 "[ . 1 . 2]" 1
1133 3 122 THR H 4 18 THR H 3.360 . 4.920 4.629 4.342 4.974 0.054 7 0 "[ . 1 . 2]" 1
1134 3 125 GLN H 3 126 LEU H 3.260 . 4.720 4.513 4.272 4.641 . 0 0 "[ . 1 . 2]" 1
1135 3 126 LEU H 3 127 ASN H 2.870 . 3.940 3.923 3.423 4.377 0.437 20 0 "[ . 1 . 2]" 1
1136 3 126 LEU MD1 3 127 ASN H 3.230 . 4.660 3.521 2.258 5.306 0.646 7 1 "[ . + 1 . 2]" 1
1137 3 127 ASN H 3 128 LEU H 3.190 . 4.580 4.404 4.029 4.554 . 0 0 "[ . 1 . 2]" 1
1138 3 128 LEU H 3 129 ALA H 3.280 . 4.760 4.580 4.385 4.643 . 0 0 "[ . 1 . 2]" 1
1139 3 128 LEU QD 3 129 ALA H 2.410 . 3.020 2.551 1.727 3.598 0.578 12 1 "[ . 1 + . 2]" 1
1140 3 128 LEU QD 3 129 ALA MB 3.260 . 4.720 3.666 2.803 4.662 . 0 0 "[ . 1 . 2]" 1
1141 3 128 LEU QD 3 131 VAL QG 2.800 . 3.800 3.642 2.582 5.562 1.762 12 5 "[ - . * 1 + . * *]" 1
1142 3 131 VAL QG 3 133 PHE H 3.290 . 4.780 3.371 2.426 4.145 . 0 0 "[ . 1 . 2]" 1
1143 3 133 PHE H 3 134 ASP H 2.360 . 2.920 2.556 2.245 2.852 . 0 0 "[ . 1 . 2]" 1
1144 3 133 PHE H 3 135 ALA H 3.170 . 4.540 4.337 3.886 5.029 0.489 17 0 "[ . 1 . 2]" 1
1145 3 133 PHE QD 3 134 ASP H 3.420 . 5.040 4.094 3.480 4.739 . 0 0 "[ . 1 . 2]" 1
1146 3 133 PHE QD 3 136 LEU QD 3.220 . 4.640 4.234 2.049 6.221 1.581 1 3 "[+ * . - 1 . 2]" 1
1147 3 133 PHE QE 3 136 LEU QD 3.360 . 4.920 5.285 2.548 7.519 2.599 1 11 "[+-* .*** * ** .** 2]" 1
1148 3 134 ASP H 3 135 ALA H 2.350 . 2.900 2.684 2.427 2.828 . 0 0 "[ . 1 . 2]" 1
1149 3 134 ASP H 3 136 LEU H 3.400 . 5.000 4.264 3.774 4.601 . 0 0 "[ . 1 . 2]" 1
1150 3 135 ALA H 3 136 LEU H 2.460 . 3.120 2.671 2.373 2.833 . 0 0 "[ . 1 . 2]" 1
1151 3 135 ALA H 3 137 PHE H 3.050 . 4.300 4.373 4.030 4.728 0.428 12 0 "[ . 1 . 2]" 1
1152 3 135 ALA MB 3 136 LEU H 2.480 . 3.160 2.756 2.395 3.027 . 0 0 "[ . 1 . 2]" 1
1153 3 136 LEU H 3 137 PHE H 2.360 . 2.920 2.682 2.533 2.855 . 0 0 "[ . 1 . 2]" 1
1154 3 136 LEU H 3 138 MET H 3.170 . 4.540 4.131 3.647 4.927 0.387 4 0 "[ . 1 . 2]" 1
1155 3 137 PHE H 3 138 MET H 2.330 . 2.860 2.571 2.377 3.007 0.147 4 0 "[ . 1 . 2]" 1
1156 3 137 PHE H 3 139 ASN H 3.150 . 4.500 4.182 3.861 4.604 0.104 1 0 "[ . 1 . 2]" 1
1157 3 137 PHE QD 3 138 MET H 3.400 . 5.000 4.102 1.777 4.783 0.023 4 0 "[ . 1 . 2]" 1
1158 3 138 MET H 3 139 ASN H 2.380 . 2.960 2.571 2.348 2.937 . 0 0 "[ . 1 . 2]" 1
1159 3 138 MET H 3 140 TYR H 3.240 . 4.680 4.117 3.604 4.652 . 0 0 "[ . 1 . 2]" 1
1160 3 139 ASN H 3 140 TYR H 2.380 . 2.960 2.728 2.489 3.161 0.201 9 0 "[ . 1 . 2]" 1
1161 3 140 TYR H 3 141 LEU H 3.210 . 4.620 3.701 3.102 4.484 . 0 0 "[ . 1 . 2]" 1
1162 3 140 TYR QD 3 141 LEU H 2.270 . 2.740 2.592 2.197 3.222 0.482 20 0 "[ . 1 . 2]" 1
1163 3 140 TYR QE 3 141 LEU H 3.160 . 4.520 4.299 3.506 5.428 0.908 20 1 "[ . 1 . +]" 1
1164 4 9 MET H 4 10 THR H 3.260 . 4.720 4.535 4.474 4.624 . 0 0 "[ . 1 . 2]" 1
1165 4 9 MET ME 4 10 THR H 3.400 . 5.000 3.941 3.318 4.804 . 0 0 "[ . 1 . 2]" 1
1166 4 9 MET ME 4 86 ILE MD 3.500 . 5.200 3.845 2.395 5.190 . 0 0 "[ . 1 . 2]" 1
1167 4 9 MET ME 4 87 ALA H 2.490 . 3.180 3.281 2.620 4.734 1.554 5 4 "[ + - .* *]" 1
1168 4 9 MET ME 4 89 ILE MD 3.110 . 4.410 2.423 1.704 3.387 0.096 17 0 "[ . 1 . 2]" 1
1169 4 10 THR H 4 11 PHE H 3.210 . 4.620 4.384 4.215 4.558 . 0 0 "[ . 1 . 2]" 1
1170 4 10 THR H 4 87 ALA H 2.810 . 3.820 3.027 2.417 4.021 0.201 19 0 "[ . 1 . 2]" 1
1171 4 11 PHE H 4 12 GLN H 3.120 . 4.440 3.958 3.616 4.203 . 0 0 "[ . 1 . 2]" 1
1172 4 11 PHE QD 4 12 GLN H 2.770 . 3.740 3.843 3.204 4.274 0.534 9 1 "[ . +1 . 2]" 1
1173 4 11 PHE QD 4 85 SER H 3.420 . 5.040 5.194 3.644 5.772 0.732 9 6 "[ - . * +1 * *.* 2]" 1
1174 4 11 PHE QE 4 12 GLN H 3.410 . 5.020 5.017 4.426 5.635 0.615 19 1 "[ . 1 . +2]" 1
1175 4 11 PHE QE 4 84 PHE QD 3.030 . 4.260 3.055 1.951 4.062 . 0 0 "[ . 1 . 2]" 1
1176 4 11 PHE QE 4 85 SER H 3.270 . 4.740 5.318 4.784 6.142 1.402 16 10 "[ * .-* *1 ****+ *2]" 1
1177 4 11 PHE QE 4 101 TYR QD 3.170 . 4.540 3.215 2.413 3.896 . 0 0 "[ . 1 . 2]" 1
1178 4 11 PHE QE 4 101 TYR QE 3.410 . 5.020 2.709 2.000 3.511 . 0 0 "[ . 1 . 2]" 1
1179 4 11 PHE QE 4 102 CYS H 3.480 . 5.160 4.761 4.305 5.356 0.196 6 0 "[ . 1 . 2]" 1
1180 4 12 GLN H 4 13 ILE H 3.120 . 4.440 4.259 3.964 4.472 0.032 19 0 "[ . 1 . 2]" 1
1181 4 12 GLN H 4 85 SER H 2.630 . 3.460 3.354 2.694 3.975 0.515 19 1 "[ . 1 . +2]" 1
1182 4 13 ILE H 4 14 GLN H 3.310 . 4.820 4.401 4.284 4.541 . 0 0 "[ . 1 . 2]" 1
1183 4 13 ILE MD 4 105 ILE MD 3.520 . 5.240 2.547 1.863 3.349 . 0 0 "[ . 1 . 2]" 1
1184 4 14 GLN H 4 15 ARG H 2.100 . 2.400 2.345 2.191 2.551 0.151 13 0 "[ . 1 . 2]" 1
1185 4 14 GLN H 4 83 ILE H 3.150 . 4.500 4.552 3.641 4.849 0.349 18 0 "[ . 1 . 2]" 1
1186 4 14 GLN H 4 84 PHE H 3.500 . 5.200 4.973 4.737 5.212 0.012 20 0 "[ . 1 . 2]" 1
1187 4 14 GLN H 4 84 PHE QD 3.480 . 5.160 4.465 3.530 5.346 0.186 14 0 "[ . 1 . 2]" 1
1188 4 14 GLN H 4 85 SER H 3.350 . 4.900 3.935 3.392 4.836 . 0 0 "[ . 1 . 2]" 1
1189 4 15 ARG H 4 16 ILE H 3.120 . 4.440 4.101 3.922 4.248 . 0 0 "[ . 1 . 2]" 1
1190 4 15 ARG H 4 83 ILE H 2.460 . 3.120 3.293 3.015 3.648 0.528 5 1 "[ + 1 . 2]" 1
1191 4 16 ILE H 4 17 TYR H 3.250 . 4.700 4.381 4.073 4.519 . 0 0 "[ . 1 . 2]" 1
1192 4 16 ILE H 4 83 ILE H 3.470 . 5.140 5.132 4.795 5.562 0.422 11 0 "[ . 1 . 2]" 1
1193 4 16 ILE MD 4 17 TYR H 3.450 . 5.100 4.975 4.065 5.480 0.380 11 0 "[ . 1 . 2]" 1
1194 4 17 TYR H 4 18 THR H 3.130 . 4.460 4.300 4.219 4.374 . 0 0 "[ . 1 . 2]" 1
1195 4 17 TYR H 4 81 GLY H 2.890 . 3.990 3.712 3.351 4.009 0.019 1 0 "[ . 1 . 2]" 1
1196 4 17 TYR H 4 82 GLY H 3.530 . 5.250 5.075 4.815 5.337 0.087 1 0 "[ . 1 . 2]" 1
1197 4 17 TYR QD 4 18 THR H 3.260 . 4.720 3.926 3.223 4.359 . 0 0 "[ . 1 . 2]" 1
1198 4 17 TYR QE 4 83 ILE MD 3.100 . 4.400 2.738 1.935 3.985 . 0 0 "[ . 1 . 2]" 1
1199 4 18 THR H 4 19 LYS H 3.310 . 4.820 4.397 4.263 4.532 . 0 0 "[ . 1 . 2]" 1
1200 4 18 THR H 4 81 GLY H 3.410 . 5.020 4.863 4.696 5.062 0.042 10 0 "[ . 1 . 2]" 1
1201 4 19 LYS H 4 20 ASP H 2.040 . 2.280 2.266 1.967 2.443 0.163 11 0 "[ . 1 . 2]" 1
1202 4 19 LYS H 4 59 VAL MG1 3.380 . 4.960 4.315 3.672 5.260 0.300 14 0 "[ . 1 . 2]" 1
1203 4 19 LYS H 4 79 GLN H 3.050 . 4.300 4.898 4.480 5.211 0.911 1 14 "[+ ***** * * ***** -]" 1
1204 4 19 LYS H 4 81 GLY H 2.570 . 3.340 2.882 2.447 3.270 . 0 0 "[ . 1 . 2]" 1
1205 4 20 ASP H 4 21 ILE H 3.160 . 4.520 4.189 3.906 4.297 . 0 0 "[ . 1 . 2]" 1
1206 4 20 ASP H 4 79 GLN H 2.570 . 3.340 3.513 3.352 3.724 0.384 15 0 "[ . 1 . 2]" 1
1207 4 21 ILE H 4 22 SER H 3.200 . 4.600 4.304 4.233 4.428 . 0 0 "[ . 1 . 2]" 1
1208 4 21 ILE MD 4 78 VAL MG1 3.490 . 5.180 3.488 3.244 3.873 . 0 0 "[ . 1 . 2]" 1
1209 4 22 SER H 4 23 PHE H 3.080 . 4.360 4.153 3.669 4.248 . 0 0 "[ . 1 . 2]" 1
1210 4 22 SER H 4 77 GLU H 2.730 . 3.660 3.209 2.902 3.471 . 0 0 "[ . 1 . 2]" 1
1211 4 22 SER H 4 78 VAL H 3.390 . 4.980 4.963 4.715 5.074 0.094 18 0 "[ . 1 . 2]" 1
1212 4 22 SER H 4 78 VAL MG2 3.060 . 4.320 3.138 2.622 3.527 . 0 0 "[ . 1 . 2]" 1
1213 4 23 PHE H 4 24 GLU H 2.960 . 4.120 4.011 3.819 4.319 0.199 10 0 "[ . 1 . 2]" 1
1214 4 23 PHE QD 4 24 GLU H 2.920 . 4.040 3.796 3.375 4.042 0.002 5 0 "[ . 1 . 2]" 1
1215 4 23 PHE QE 4 74 PHE QD 3.430 . 5.060 2.726 2.422 2.996 . 0 0 "[ . 1 . 2]" 1
1216 4 23 PHE QE 4 121 GLY H 3.410 . 5.020 4.207 3.856 4.577 . 0 0 "[ . 1 . 2]" 1
1217 4 24 GLU H 4 25 ALA H 3.250 . 4.700 4.157 3.993 4.390 . 0 0 "[ . 1 . 2]" 1
1218 4 24 GLU H 4 75 LEU H 2.630 . 3.460 3.083 2.723 3.408 . 0 0 "[ . 1 . 2]" 1
1219 4 24 GLU H 4 75 LEU MD1 3.370 . 4.940 4.723 3.904 5.431 0.491 19 0 "[ . 1 . 2]" 1
1220 4 25 ALA MB 4 28 ALA H 3.150 . 4.500 3.352 3.104 3.672 . 0 0 "[ . 1 . 2]" 1
1221 4 25 ALA MB 4 28 ALA MB 2.650 . 3.500 1.872 1.664 2.110 0.136 20 0 "[ . 1 . 2]" 1
1222 4 27 ASN H 4 28 ALA H 2.490 . 3.180 2.689 2.441 3.022 . 0 0 "[ . 1 . 2]" 1
1223 4 28 ALA H 4 30 HIS H 2.850 . 3.900 4.331 4.063 4.606 0.706 19 6 "[ .* 1 - * **+2]" 1
1224 4 28 ALA H 4 31 VAL H 3.260 . 4.720 4.890 4.758 5.004 0.284 17 0 "[ . 1 . 2]" 1
1225 4 28 ALA MB 4 30 HIS H 3.460 . 5.120 4.302 4.153 4.471 . 0 0 "[ . 1 . 2]" 1
1226 4 28 ALA MB 4 32 PHE QE 3.170 . 4.540 3.313 3.103 3.488 . 0 0 "[ . 1 . 2]" 1
1227 4 30 HIS H 4 31 VAL H 2.140 . 2.480 2.457 2.299 2.618 0.138 3 0 "[ . 1 . 2]" 1
1228 4 30 HIS H 4 32 PHE H 2.790 . 3.780 3.880 3.625 4.116 0.336 19 0 "[ . 1 . 2]" 1
1229 4 31 VAL H 4 32 PHE H 2.180 . 2.560 2.498 2.368 2.637 0.077 14 0 "[ . 1 . 2]" 1
1230 4 31 VAL H 4 33 GLN H 3.210 . 4.620 4.380 4.148 4.648 0.028 9 0 "[ . 1 . 2]" 1
1231 4 31 VAL QG 4 32 PHE H 2.560 . 3.320 2.890 2.682 3.378 0.058 19 0 "[ . 1 . 2]" 1
1232 4 31 VAL QG 4 32 PHE QD 3.400 . 5.000 3.162 2.778 3.565 . 0 0 "[ . 1 . 2]" 1
1233 4 31 VAL QG 4 34 LYS H 3.360 . 4.920 4.121 3.749 4.548 . 0 0 "[ . 1 . 2]" 1
1234 4 31 VAL QG 4 68 LEU H 2.930 . 4.060 3.232 2.769 3.808 . 0 0 "[ . 1 . 2]" 1
1235 4 31 VAL QG 4 68 LEU MD1 2.990 . 3.600 2.088 1.714 2.616 0.086 19 0 "[ . 1 . 2]" 1
1236 4 31 VAL QG 4 73 ALA H 3.400 . 5.000 3.773 3.498 3.985 . 0 0 "[ . 1 . 2]" 1
1237 4 31 VAL QG 4 73 ALA MB 3.290 . 4.780 2.712 2.568 3.038 . 0 0 "[ . 1 . 2]" 1
1238 4 31 VAL QG 4 123 PHE QE 3.050 . 4.300 1.971 1.587 2.285 0.213 19 0 "[ . 1 . 2]" 1
1239 4 32 PHE H 4 33 GLN H 2.380 . 2.960 2.669 2.559 2.774 . 0 0 "[ . 1 . 2]" 1
1240 4 32 PHE H 4 34 LYS H 3.190 . 4.580 4.213 3.945 4.402 . 0 0 "[ . 1 . 2]" 1
1241 4 32 PHE QD 4 33 GLN H 3.370 . 4.940 4.722 4.610 4.852 . 0 0 "[ . 1 . 2]" 1
1242 4 32 PHE QE 4 123 PHE QE 3.510 . 5.220 3.162 3.017 3.394 . 0 0 "[ . 1 . 2]" 1
1243 4 33 GLN H 4 34 LYS H 2.360 . 2.920 2.588 2.432 2.728 . 0 0 "[ . 1 . 2]" 1
1244 4 34 LYS H 4 35 ASP H 3.190 . 4.580 3.981 3.318 4.317 . 0 0 "[ . 1 . 2]" 1
1245 4 35 ASP H 4 36 TRP H 2.910 . 4.020 3.868 3.677 4.036 0.016 9 0 "[ . 1 . 2]" 1
1246 4 35 ASP H 4 36 TRP HE3 2.710 . 3.620 3.411 2.774 4.200 0.580 6 1 "[ .+ 1 . 2]" 1
1247 4 35 ASP H 4 36 TRP HZ3 3.070 . 4.340 3.851 3.325 4.880 0.540 6 1 "[ .+ 1 . 2]" 1
1248 4 36 TRP H 4 37 GLN H 3.170 . 4.540 4.356 4.316 4.385 . 0 0 "[ . 1 . 2]" 1
1249 4 36 TRP H 4 68 LEU MD2 2.710 . 3.620 2.741 2.352 3.247 . 0 0 "[ . 1 . 2]" 1
1250 4 36 TRP HE1 4 68 LEU MD2 2.380 . 2.960 2.633 2.433 2.984 0.024 5 0 "[ . 1 . 2]" 1
1251 4 36 TRP HE1 4 69 GLY H 2.190 . 2.580 2.712 1.957 3.735 1.155 7 3 "[- * + 1 . 2]" 1
1252 4 39 GLU H 4 40 VAL H 3.220 . 4.640 4.452 4.351 4.631 . 0 0 "[ . 1 . 2]" 1
1253 4 39 GLU H 4 67 SER H 2.250 . 2.700 3.248 2.879 3.896 1.196 14 10 "[ -*** *1* +* **2]" 1
1254 4 40 VAL H 4 41 LYS H 3.210 . 4.620 4.241 3.720 4.470 . 0 0 "[ . 1 . 2]" 1
1255 4 40 VAL QG 4 41 LYS H 3.500 . 3.720 2.995 2.425 3.703 . 0 0 "[ . 1 . 2]" 1
1256 4 40 VAL QG 4 42 LEU H 3.400 . 5.000 3.976 3.484 4.894 . 0 0 "[ . 1 . 2]" 1
1257 4 40 VAL QG 4 64 VAL MG1 3.280 . 4.760 1.984 1.652 3.160 0.148 4 0 "[ . 1 . 2]" 1
1258 4 40 VAL QG 4 126 LEU MD1 3.240 . 3.240 1.881 1.644 2.150 0.156 4 0 "[ . 1 . 2]" 1
1259 4 40 VAL QG 4 126 LEU MD2 2.920 . 4.040 2.145 1.848 2.634 . 0 0 "[ . 1 . 2]" 1
1260 4 41 LYS H 4 42 LEU H 3.090 . 4.380 4.307 3.776 4.487 0.107 10 0 "[ . 1 . 2]" 1
1261 4 41 LYS H 4 64 VAL MG1 3.020 . 4.240 4.050 3.311 4.564 0.324 6 0 "[ . 1 . 2]" 1
1262 4 41 LYS H 4 65 THR H 2.520 . 3.240 3.362 2.709 4.380 1.140 14 3 "[ . 1 -+. * 2]" 1
1263 4 42 LEU H 4 43 ASP H 3.230 . 4.660 4.352 4.220 4.516 . 0 0 "[ . 1 . 2]" 1
1264 4 42 LEU QD 4 43 ASP H 3.240 . 4.680 3.260 1.923 4.456 . 0 0 "[ . 1 . 2]" 1
1265 4 42 LEU QD 4 44 LEU H 3.250 . 4.700 5.208 3.615 6.506 1.806 18 10 "[****. ** * .* +-2]" 1
1266 4 42 LEU QD 4 44 LEU QD 3.110 . 4.300 2.858 1.994 4.273 . 0 0 "[ . 1 . 2]" 1
1267 4 42 LEU QD 4 62 VAL QG 3.300 . 4.800 2.787 1.714 4.920 0.120 14 0 "[ . 1 . 2]" 1
1268 4 42 LEU QD 4 128 LEU QD 2.630 . 3.460 2.166 1.670 5.243 1.783 14 1 "[ . 1 +. 2]" 1
1269 4 42 LEU QD 4 129 ALA H 2.650 . 3.500 4.188 2.867 9.277 5.777 14 10 "[ * * -***+* * *]" 1
1270 4 43 ASP H 4 44 LEU H 3.220 . 4.640 4.295 3.551 4.521 . 0 0 "[ . 1 . 2]" 1
1271 4 43 ASP H 4 62 VAL QG 3.280 . 4.760 4.494 3.938 5.243 0.483 12 0 "[ . 1 . 2]" 1
1272 4 43 ASP H 4 63 THR H 2.560 . 3.320 3.549 2.813 4.159 0.839 14 4 "[ - * 1 * +. 2]" 1
1273 4 43 ASP H 4 64 VAL MG2 3.440 . 5.080 4.512 3.735 5.485 0.405 12 0 "[ . 1 . 2]" 1
1274 4 43 ASP H 4 128 LEU QD 3.510 . 5.220 5.387 4.677 6.455 1.235 12 4 "[ - . * 1 +* . 2]" 1
1275 4 44 LEU H 4 45 ASP H 3.260 . 4.720 4.416 4.012 4.550 . 0 0 "[ . 1 . 2]" 1
1276 4 44 LEU QD 4 131 VAL QG 3.030 . 3.570 3.068 1.894 5.333 1.763 14 3 "[ . 1 * +. - 2]" 1
1277 4 44 LEU QD 4 133 PHE QE 2.970 . 4.140 2.963 1.796 6.208 2.068 14 2 "[ - . 1 +. 2]" 1
1278 4 45 ASP H 4 46 THR H 3.120 . 4.440 4.318 4.135 4.437 . 0 0 "[ . 1 . 2]" 1
1279 4 45 ASP H 4 60 LEU MD1 3.440 . 5.080 3.681 3.150 4.222 . 0 0 "[ . 1 . 2]" 1
1280 4 45 ASP H 4 61 ARG H 3.060 . 4.320 3.884 3.489 4.365 0.045 14 0 "[ . 1 . 2]" 1
1281 4 46 THR H 4 47 ALA H 3.270 . 4.740 4.379 4.253 4.505 . 0 0 "[ . 1 . 2]" 1
1282 4 47 ALA H 4 48 SER H 3.090 . 4.380 4.314 4.231 4.372 . 0 0 "[ . 1 . 2]" 1
1283 4 47 ALA H 4 58 VAL QG 3.300 . 4.800 4.123 3.397 5.138 0.338 7 0 "[ . 1 . 2]" 1
1284 4 47 ALA H 4 59 VAL H 3.020 . 4.240 3.562 3.196 3.962 . 0 0 "[ . 1 . 2]" 1
1285 4 47 ALA H 4 61 ARG H 3.530 . 5.250 4.304 3.856 4.878 . 0 0 "[ . 1 . 2]" 1
1286 4 47 ALA MB 4 48 SER H 2.750 . 3.700 2.646 2.214 2.879 . 0 0 "[ . 1 . 2]" 1
1287 4 48 SER H 4 49 SER H 3.180 . 4.560 4.369 4.298 4.402 . 0 0 "[ . 1 . 2]" 1
1288 4 49 SER H 4 50 GLN H 3.050 . 4.300 4.197 3.977 4.329 0.029 20 0 "[ . 1 . 2]" 1
1289 4 49 SER H 4 51 LEU MD2 3.510 . 5.220 4.530 3.943 5.533 0.313 6 0 "[ . 1 . 2]" 1
1290 4 49 SER H 4 57 GLU H 2.800 . 3.800 3.691 3.184 4.179 0.379 15 0 "[ . 1 . 2]" 1
1291 4 50 GLN H 4 51 LEU H 3.280 . 4.760 4.418 4.364 4.497 . 0 0 "[ . 1 . 2]" 1
1292 4 51 LEU H 4 52 ALA H 1.880 . 1.960 2.297 1.962 4.106 2.146 6 1 "[ .+ 1 . 2]" 1
1293 4 51 LEU H 4 52 ALA MB 3.290 . 4.780 3.613 3.085 5.197 0.417 6 0 "[ . 1 . 2]" 1
1294 4 51 LEU H 4 57 GLU H 2.990 . 4.180 3.837 3.297 4.297 0.117 7 0 "[ . 1 . 2]" 1
1295 4 51 LEU MD2 4 57 GLU H 2.710 . 3.620 3.822 1.984 4.272 0.652 4 3 "[- +. * 1 . 2]" 1
1296 4 52 ALA H 4 53 ASP H 3.220 . 4.640 4.281 4.047 4.411 . 0 0 "[ . 1 . 2]" 1
1297 4 52 ALA H 4 55 VAL H 3.190 . 4.580 4.884 3.793 5.972 1.392 6 4 "[* -+ 1 * . 2]" 1
1298 4 52 ALA MB 4 53 ASP H 2.490 . 3.180 2.592 1.942 3.617 0.437 6 0 "[ . 1 . 2]" 1
1299 4 52 ALA MB 4 55 VAL H 3.190 . 4.580 3.340 3.010 5.633 1.053 6 1 "[ .+ 1 . 2]" 1
1300 4 52 ALA MB 4 55 VAL QG 3.300 . 4.800 2.645 2.124 6.112 1.312 6 1 "[ .+ 1 . 2]" 1
1301 4 53 ASP H 4 54 ASP H 3.250 . 4.700 4.363 2.591 4.565 . 0 0 "[ . 1 . 2]" 1
1302 4 53 ASP H 4 55 VAL H 3.090 . 4.380 4.093 2.561 4.682 0.302 14 0 "[ . 1 . 2]" 1
1303 4 54 ASP H 4 55 VAL H 2.250 . 2.700 2.659 2.517 2.900 0.200 6 0 "[ . 1 . 2]" 1
1304 4 55 VAL H 4 56 TYR H 3.140 . 4.480 4.243 3.861 4.383 . 0 0 "[ . 1 . 2]" 1
1305 4 55 VAL H 4 86 ILE H 3.380 . 4.960 4.937 4.567 5.253 0.293 6 0 "[ . 1 . 2]" 1
1306 4 55 VAL QG 4 56 TYR H 2.490 . 3.180 2.580 2.345 3.462 0.282 14 0 "[ . 1 . 2]" 1
1307 4 55 VAL QG 4 84 PHE H 3.260 . 4.720 3.275 2.496 4.740 0.020 14 0 "[ . 1 . 2]" 1
1308 4 55 VAL QG 4 86 ILE H 3.480 . 3.680 3.262 2.754 3.841 0.161 12 0 "[ . 1 . 2]" 1
1309 4 56 TYR H 4 57 GLU H 3.210 . 4.620 4.335 4.129 4.425 . 0 0 "[ . 1 . 2]" 1
1310 4 56 TYR H 4 84 PHE H 3.010 . 4.220 3.507 3.046 4.203 . 0 0 "[ . 1 . 2]" 1
1311 4 56 TYR H 4 86 ILE H 3.260 . 4.720 4.626 3.866 5.178 0.458 6 0 "[ . 1 . 2]" 1
1312 4 56 TYR QD 4 57 GLU H 3.170 . 4.540 3.428 2.408 4.137 . 0 0 "[ . 1 . 2]" 1
1313 4 56 TYR QD 4 58 VAL QG 3.390 . 4.980 3.044 2.137 4.336 . 0 0 "[ . 1 . 2]" 1
1314 4 56 TYR QE 4 58 VAL QG 3.500 . 5.200 3.159 2.075 5.245 0.045 13 0 "[ . 1 . 2]" 1
1315 4 56 TYR QE 4 86 ILE MD 2.840 . 3.880 4.653 1.841 6.716 2.836 19 13 "[****. * -* ***** +2]" 1
1316 4 56 TYR QE 4 98 LEU H 2.920 . 4.040 5.904 3.524 8.352 4.312 13 14 "[***** * * *+*** *-]" 1
1317 4 56 TYR QE 4 98 LEU QD 3.450 . 5.100 3.223 2.145 3.930 . 0 0 "[ . 1 . 2]" 1
1318 4 57 GLU H 4 58 VAL H 3.180 . 4.560 4.354 4.185 4.491 . 0 0 "[ . 1 . 2]" 1
1319 4 58 VAL H 4 59 VAL H 3.280 . 4.760 4.373 4.119 4.465 . 0 0 "[ . 1 . 2]" 1
1320 4 58 VAL H 4 82 GLY H 2.780 . 3.760 3.141 2.807 3.459 . 0 0 "[ . 1 . 2]" 1
1321 4 58 VAL H 4 84 PHE H 3.100 . 4.400 4.378 3.612 5.201 0.801 6 2 "[ .+ 1 .- 2]" 1
1322 4 58 VAL QG 4 59 VAL H 2.410 . 3.020 2.685 2.136 3.398 0.378 7 0 "[ . 1 . 2]" 1
1323 4 58 VAL QG 4 60 LEU H 3.300 . 4.800 3.710 3.313 4.256 . 0 0 "[ . 1 . 2]" 1
1324 4 58 VAL QG 4 98 LEU QD 3.320 . 4.260 2.807 1.569 4.490 0.231 17 0 "[ . 1 . 2]" 1
1325 4 59 VAL H 4 60 LEU H 3.040 . 4.280 4.162 4.023 4.376 0.096 19 0 "[ . 1 . 2]" 1
1326 4 59 VAL MG1 4 60 LEU H 2.950 . 4.100 3.244 2.592 4.162 0.062 6 0 "[ . 1 . 2]" 1
1327 4 59 VAL MG1 4 81 GLY H 3.390 . 4.980 4.001 3.191 5.372 0.392 14 0 "[ . 1 . 2]" 1
1328 4 60 LEU H 4 61 ARG H 3.160 . 4.520 4.269 4.095 4.433 . 0 0 "[ . 1 . 2]" 1
1329 4 60 LEU H 4 80 GLN H 3.110 . 4.420 3.908 3.087 4.240 . 0 0 "[ . 1 . 2]" 1
1330 4 60 LEU H 4 81 GLY H 3.490 . 5.180 4.942 4.601 5.140 . 0 0 "[ . 1 . 2]" 1
1331 4 60 LEU H 4 82 GLY H 3.400 . 5.000 5.175 4.761 5.602 0.602 14 3 "[ . 1 - +. * 2]" 1
1332 4 60 LEU MD1 4 61 ARG H 3.140 . 4.480 2.883 2.326 3.259 . 0 0 "[ . 1 . 2]" 1
1333 4 60 LEU MD1 4 133 PHE QE 3.110 . 4.420 2.979 2.085 4.934 0.514 3 1 "[ + . 1 . 2]" 1
1334 4 60 LEU MD2 4 62 VAL QG 3.080 . 4.360 3.155 2.243 4.309 . 0 0 "[ . 1 . 2]" 1
1335 4 60 LEU MD2 4 133 PHE QE 3.490 . 5.180 3.110 2.033 4.113 . 0 0 "[ . 1 . 2]" 1
1336 4 61 ARG H 4 62 VAL H 3.080 . 4.360 4.186 4.078 4.377 0.017 10 0 "[ . 1 . 2]" 1
1337 4 62 VAL H 4 63 THR H 3.190 . 4.580 4.440 4.182 4.554 . 0 0 "[ . 1 . 2]" 1
1338 4 62 VAL H 4 78 VAL H 2.830 . 3.860 3.371 3.149 3.566 . 0 0 "[ . 1 . 2]" 1
1339 4 62 VAL H 4 80 GLN H 3.090 . 4.380 3.866 3.530 4.487 0.107 19 0 "[ . 1 . 2]" 1
1340 4 62 VAL QG 4 63 THR H 2.860 . 3.920 2.693 2.422 3.239 . 0 0 "[ . 1 . 2]" 1
1341 4 62 VAL QG 4 64 VAL MG2 2.990 . 4.180 2.527 1.999 3.098 . 0 0 "[ . 1 . 2]" 1
1342 4 62 VAL QG 4 80 GLN H 3.510 . 5.220 4.133 3.643 4.516 . 0 0 "[ . 1 . 2]" 1
1343 4 62 VAL QG 4 110 ALA MB 2.940 . 4.080 2.000 1.673 2.189 0.127 9 0 "[ . 1 . 2]" 1
1344 4 62 VAL QG 4 114 ILE MD 2.970 . 4.140 1.978 1.781 2.188 0.019 12 0 "[ . 1 . 2]" 1
1345 4 62 VAL QG 4 128 LEU QD 3.030 . 3.220 2.091 1.786 2.559 0.014 15 0 "[ . 1 . 2]" 1
1346 4 63 THR H 4 64 VAL H 3.280 . 4.760 4.356 4.129 4.479 . 0 0 "[ . 1 . 2]" 1
1347 4 64 VAL H 4 65 THR H 3.060 . 4.320 4.084 3.818 4.492 0.172 14 0 "[ . 1 . 2]" 1
1348 4 64 VAL H 4 76 CYS H 2.840 . 3.880 3.151 2.713 3.666 . 0 0 "[ . 1 . 2]" 1
1349 4 64 VAL H 4 77 GLU H 3.500 . 5.200 4.866 4.564 5.070 . 0 0 "[ . 1 . 2]" 1
1350 4 64 VAL MG1 4 65 THR H 2.820 . 3.840 3.127 2.499 3.469 . 0 0 "[ . 1 . 2]" 1
1351 4 64 VAL MG1 4 76 CYS H 3.310 . 4.820 3.572 2.962 4.039 . 0 0 "[ . 1 . 2]" 1
1352 4 64 VAL MG1 4 126 LEU MD2 2.400 . 3.000 2.038 1.872 2.412 . 0 0 "[ . 1 . 2]" 1
1353 4 64 VAL MG2 4 65 THR H 3.490 . 5.180 4.144 3.735 4.354 . 0 0 "[ . 1 . 2]" 1
1354 4 64 VAL MG2 4 114 ILE MD 2.810 . 3.820 1.889 1.723 2.049 0.077 12 0 "[ . 1 . 2]" 1
1355 4 64 VAL MG2 4 126 LEU MD2 3.350 . 4.900 2.602 2.180 3.141 . 0 0 "[ . 1 . 2]" 1
1356 4 64 VAL MG2 4 128 LEU QD 2.540 . 3.280 2.088 1.840 2.370 . 0 0 "[ . 1 . 2]" 1
1357 4 65 THR H 4 66 ALA H 3.170 . 4.540 4.051 3.820 4.377 . 0 0 "[ . 1 . 2]" 1
1358 4 65 THR H 4 76 CYS H 3.480 . 5.160 5.141 4.928 5.304 0.144 5 0 "[ . 1 . 2]" 1
1359 4 66 ALA H 4 67 SER H 3.240 . 4.680 4.524 4.402 4.591 . 0 0 "[ . 1 . 2]" 1
1360 4 66 ALA H 4 73 ALA H 3.460 . 5.120 4.716 4.448 5.126 0.006 2 0 "[ . 1 . 2]" 1
1361 4 66 ALA H 4 74 PHE H 2.650 . 3.500 3.563 3.271 3.747 0.247 2 0 "[ . 1 . 2]" 1
1362 4 66 ALA H 4 74 PHE QD 3.410 . 5.020 4.449 4.038 4.678 . 0 0 "[ . 1 . 2]" 1
1363 4 66 ALA H 4 75 LEU MD2 3.140 . 4.480 2.829 2.435 3.068 . 0 0 "[ . 1 . 2]" 1
1364 4 66 ALA H 4 76 CYS H 3.080 . 4.360 4.698 4.035 5.644 1.284 14 7 "[ ** 1** +* - 2]" 1
1365 4 66 ALA MB 4 67 SER H 2.840 . 3.880 2.814 2.596 3.051 . 0 0 "[ . 1 . 2]" 1
1366 4 66 ALA MB 4 73 ALA H 3.410 . 5.020 3.810 3.436 4.152 . 0 0 "[ . 1 . 2]" 1
1367 4 66 ALA MB 4 73 ALA MB 2.720 . 3.640 2.400 1.952 2.651 . 0 0 "[ . 1 . 2]" 1
1368 4 66 ALA MB 4 74 PHE H 2.660 . 3.520 2.366 1.836 2.751 . 0 0 "[ . 1 . 2]" 1
1369 4 66 ALA MB 4 74 PHE QD 2.830 . 3.860 3.003 2.912 3.195 . 0 0 "[ . 1 . 2]" 1
1370 4 66 ALA MB 4 74 PHE QE 2.590 . 3.380 2.818 2.762 2.876 . 0 0 "[ . 1 . 2]" 1
1371 4 67 SER H 4 68 LEU H 3.130 . 4.460 4.189 4.079 4.391 . 0 0 "[ . 1 . 2]" 1
1372 4 67 SER H 4 73 ALA H 3.160 . 4.520 4.006 3.793 4.283 . 0 0 "[ . 1 . 2]" 1
1373 4 67 SER H 4 73 ALA MB 3.120 . 4.440 3.364 3.178 3.570 . 0 0 "[ . 1 . 2]" 1
1374 4 68 LEU H 4 69 GLY H 3.150 . 4.500 4.225 4.069 4.426 . 0 0 "[ . 1 . 2]" 1
1375 4 68 LEU H 4 71 GLU H 2.840 . 3.880 4.193 3.951 4.418 0.538 2 1 "[ + . 1 . 2]" 1
1376 4 68 LEU H 4 73 ALA H 2.390 . 2.980 3.016 2.862 3.157 0.177 8 0 "[ . 1 . 2]" 1
1377 4 68 LEU H 4 73 ALA MB 2.750 . 3.700 2.244 2.043 2.510 . 0 0 "[ . 1 . 2]" 1
1378 4 68 LEU MD1 4 73 ALA MB 2.610 . 3.420 2.306 2.111 2.655 . 0 0 "[ . 1 . 2]" 1
1379 4 68 LEU MD2 4 69 GLY H 3.410 . 5.020 3.751 3.312 3.946 . 0 0 "[ . 1 . 2]" 1
1380 4 69 GLY H 4 70 GLU H 3.230 . 4.660 4.494 4.354 4.642 . 0 0 "[ . 1 . 2]" 1
1381 4 69 GLY H 4 71 GLU H 3.340 . 4.880 4.621 4.361 4.848 . 0 0 "[ . 1 . 2]" 1
1382 4 70 GLU H 4 71 GLU H 2.380 . 2.960 2.464 2.062 2.933 . 0 0 "[ . 1 . 2]" 1
1383 4 71 GLU H 4 72 THR H 3.170 . 4.540 4.424 4.327 4.514 . 0 0 "[ . 1 . 2]" 1
1384 4 72 THR H 4 73 ALA H 3.260 . 4.720 4.522 4.436 4.571 . 0 0 "[ . 1 . 2]" 1
1385 4 73 ALA H 4 74 PHE H 2.340 . 2.880 2.610 2.387 2.840 . 0 0 "[ . 1 . 2]" 1
1386 4 73 ALA MB 4 74 PHE H 2.440 . 3.080 2.023 1.879 2.109 . 0 0 "[ . 1 . 2]" 1
1387 4 73 ALA MB 4 74 PHE QD 3.330 . 4.860 2.481 2.399 2.558 . 0 0 "[ . 1 . 2]" 1
1388 4 74 PHE H 4 75 LEU H 3.100 . 4.400 4.327 4.221 4.362 . 0 0 "[ . 1 . 2]" 1
1389 4 74 PHE H 4 75 LEU MD2 3.160 . 4.520 4.118 3.683 4.417 . 0 0 "[ . 1 . 2]" 1
1390 4 74 PHE QD 4 75 LEU H 3.170 . 4.540 3.492 3.283 4.082 . 0 0 "[ . 1 . 2]" 1
1391 4 74 PHE QD 4 123 PHE QD 3.050 . 4.300 3.012 2.768 3.236 . 0 0 "[ . 1 . 2]" 1
1392 4 74 PHE QD 4 123 PHE QE 3.020 . 4.240 3.294 3.089 3.514 . 0 0 "[ . 1 . 2]" 1
1393 4 74 PHE QE 4 118 VAL MG1 3.070 . 4.340 2.951 2.849 3.188 . 0 0 "[ . 1 . 2]" 1
1394 4 74 PHE QE 4 118 VAL MG2 3.160 . 4.520 2.429 2.168 2.594 . 0 0 "[ . 1 . 2]" 1
1395 4 74 PHE QE 4 123 PHE QD 3.300 . 4.800 3.507 3.291 3.719 . 0 0 "[ . 1 . 2]" 1
1396 4 74 PHE QE 4 126 LEU MD2 3.370 . 4.940 2.599 2.121 3.466 . 0 0 "[ . 1 . 2]" 1
1397 4 75 LEU H 4 76 CYS H 3.220 . 4.640 4.312 3.996 4.518 . 0 0 "[ . 1 . 2]" 1
1398 4 76 CYS H 4 77 GLU H 3.200 . 4.600 4.253 3.847 4.494 . 0 0 "[ . 1 . 2]" 1
1399 4 77 GLU H 4 78 VAL H 3.090 . 4.380 4.167 3.978 4.334 . 0 0 "[ . 1 . 2]" 1
1400 4 77 GLU H 4 78 VAL MG2 3.010 . 4.220 3.414 3.283 3.600 . 0 0 "[ . 1 . 2]" 1
1401 4 77 GLU H 4 117 MET ME 2.820 . 3.840 3.466 3.069 3.969 0.129 14 0 "[ . 1 . 2]" 1
1402 4 78 VAL H 4 79 GLN H 3.170 . 4.540 4.129 3.967 4.369 . 0 0 "[ . 1 . 2]" 1
1403 4 78 VAL MG1 4 79 GLN H 2.410 . 3.020 2.939 2.370 3.168 0.148 5 0 "[ . 1 . 2]" 1
1404 4 78 VAL MG1 4 80 GLN H 3.020 . 4.240 2.950 2.685 3.308 . 0 0 "[ . 1 . 2]" 1
1405 4 78 VAL MG2 4 79 GLN H 3.350 . 4.900 4.180 3.901 4.298 . 0 0 "[ . 1 . 2]" 1
1406 4 78 VAL MG2 4 114 ILE H 3.450 . 5.100 3.024 2.721 3.327 . 0 0 "[ . 1 . 2]" 1
1407 4 78 VAL MG2 4 117 MET ME 2.390 . 2.980 2.165 2.006 2.286 . 0 0 "[ . 1 . 2]" 1
1408 4 79 GLN H 4 80 GLN H 2.890 . 3.990 3.942 3.724 4.086 0.096 2 0 "[ . 1 . 2]" 1
1409 4 80 GLN H 4 81 GLY H 3.160 . 4.520 4.327 4.146 4.553 0.033 12 0 "[ . 1 . 2]" 1
1410 4 80 GLN H 4 110 ALA MB 3.270 . 4.740 3.680 3.388 4.165 . 0 0 "[ . 1 . 2]" 1
1411 4 81 GLY H 4 82 GLY H 3.290 . 4.780 4.520 4.424 4.569 . 0 0 "[ . 1 . 2]" 1
1412 4 82 GLY H 4 83 ILE H 3.200 . 4.600 4.269 4.123 4.409 . 0 0 "[ . 1 . 2]" 1
1413 4 82 GLY H 4 84 PHE QE 3.390 . 4.980 3.423 3.046 3.848 . 0 0 "[ . 1 . 2]" 1
1414 4 83 ILE H 4 84 PHE H 3.220 . 4.640 4.335 4.216 4.442 . 0 0 "[ . 1 . 2]" 1
1415 4 84 PHE H 4 85 SER H 3.250 . 4.700 4.364 4.284 4.492 . 0 0 "[ . 1 . 2]" 1
1416 4 84 PHE QD 4 85 SER H 3.290 . 4.780 4.371 4.122 4.589 . 0 0 "[ . 1 . 2]" 1
1417 4 85 SER H 4 86 ILE H 3.190 . 4.580 4.473 4.339 4.598 0.018 1 0 "[ . 1 . 2]" 1
1418 4 86 ILE H 4 87 ALA H 3.030 . 4.260 4.297 3.785 4.411 0.151 7 0 "[ . 1 . 2]" 1
1419 4 86 ILE MD 4 89 ILE MD 2.950 . 4.100 3.032 1.964 4.963 0.863 19 1 "[ . 1 . +2]" 1
1420 4 86 ILE MD 4 95 ALA H 3.460 . 5.120 5.725 4.043 8.132 3.012 14 8 "[ - ** * 1 * +. * *2]" 1
1421 4 87 ALA H 4 88 GLY H 3.240 . 4.680 4.361 4.112 4.461 . 0 0 "[ . 1 . 2]" 1
1422 4 87 ALA H 4 89 ILE H 3.510 . 5.220 4.803 4.253 5.326 0.106 5 0 "[ . 1 . 2]" 1
1423 4 87 ALA H 4 89 ILE MD 3.450 . 5.100 3.306 2.727 4.652 . 0 0 "[ . 1 . 2]" 1
1424 4 87 ALA MB 4 88 GLY H 2.530 . 3.260 2.453 2.180 3.180 . 0 0 "[ . 1 . 2]" 1
1425 4 88 GLY H 4 89 ILE H 2.210 . 2.620 2.409 2.096 2.621 0.001 16 0 "[ . 1 . 2]" 1
1426 4 88 GLY H 4 89 ILE MD 3.140 . 4.480 4.077 3.081 5.324 0.844 15 4 "[ * 1 - + * 2]" 1
1427 4 89 ILE H 4 90 GLU H 3.240 . 4.680 4.436 4.303 4.579 . 0 0 "[ . 1 . 2]" 1
1428 4 89 ILE MD 4 90 GLU H 3.350 . 4.900 4.379 3.814 5.124 0.224 13 0 "[ . 1 . 2]" 1
1429 4 90 GLU H 4 91 GLY H 3.200 . 4.600 4.415 4.357 4.451 . 0 0 "[ . 1 . 2]" 1
1430 4 90 GLU H 4 94 MET H 3.150 . 4.500 4.207 3.732 4.895 0.395 13 0 "[ . 1 . 2]" 1
1431 4 91 GLY H 4 92 THR H 3.320 . 4.840 4.611 4.505 4.644 . 0 0 "[ . 1 . 2]" 1
1432 4 91 GLY H 4 94 MET ME 3.430 . 5.060 3.914 2.061 5.002 . 0 0 "[ . 1 . 2]" 1
1433 4 92 THR H 4 93 GLN H 2.050 . 2.300 2.320 2.220 2.560 0.260 17 0 "[ . 1 . 2]" 1
1434 4 92 THR H 4 94 MET H 3.010 . 4.220 4.008 3.670 4.387 0.167 6 0 "[ . 1 . 2]" 1
1435 4 93 GLN H 4 94 MET H 2.400 . 3.000 2.663 2.462 2.879 . 0 0 "[ . 1 . 2]" 1
1436 4 93 GLN H 4 95 ALA H 3.270 . 4.740 4.713 4.140 5.306 0.566 14 1 "[ . 1 +. 2]" 1
1437 4 93 GLN H 4 96 HIS H 3.280 . 4.760 4.953 4.641 5.557 0.797 14 3 "[ -* 1 +. 2]" 1
1438 4 94 MET H 4 95 ALA H 2.410 . 3.020 2.892 2.622 3.178 0.158 14 0 "[ . 1 . 2]" 1
1439 4 94 MET H 4 96 HIS H 2.920 . 4.040 3.909 3.723 4.280 0.240 5 0 "[ . 1 . 2]" 1
1440 4 94 MET ME 4 95 ALA H 3.190 . 4.580 3.863 2.401 4.594 0.014 13 0 "[ . 1 . 2]" 1
1441 4 94 MET ME 4 95 ALA MB 3.350 . 4.900 2.997 1.947 3.705 . 0 0 "[ . 1 . 2]" 1
1442 4 95 ALA H 4 96 HIS H 2.110 . 2.420 2.385 2.290 2.470 0.050 12 0 "[ . 1 . 2]" 1
1443 4 95 ALA H 4 97 CYS H 3.120 . 4.440 4.315 4.068 4.578 0.138 10 0 "[ . 1 . 2]" 1
1444 4 95 ALA MB 4 96 HIS H 2.800 . 3.800 3.154 2.937 3.254 . 0 0 "[ . 1 . 2]" 1
1445 4 95 ALA MB 4 98 LEU QD 2.900 . 4.000 2.778 2.166 4.848 0.848 9 1 "[ . +1 . 2]" 1
1446 4 96 HIS H 4 97 CYS H 2.340 . 2.880 2.722 2.398 2.901 0.021 10 0 "[ . 1 . 2]" 1
1447 4 96 HIS H 4 98 LEU H 3.080 . 4.360 4.302 3.814 4.549 0.189 13 0 "[ . 1 . 2]" 1
1448 4 97 CYS H 4 98 LEU H 2.290 . 2.780 2.751 2.597 2.906 0.126 18 0 "[ . 1 . 2]" 1
1449 4 97 CYS H 4 99 GLY H 3.250 . 4.700 4.044 3.632 4.723 0.023 17 0 "[ . 1 . 2]" 1
1450 4 97 CYS H 4 100 ALA H 3.480 . 5.160 5.236 4.919 5.509 0.349 2 0 "[ . 1 . 2]" 1
1451 4 98 LEU H 4 99 GLY H 2.270 . 2.740 2.494 2.259 2.769 0.029 17 0 "[ . 1 . 2]" 1
1452 4 98 LEU H 4 100 ALA H 2.890 . 3.990 4.123 3.827 4.350 0.360 2 0 "[ . 1 . 2]" 1
1453 4 98 LEU H 4 102 CYS H 3.490 . 5.180 4.951 4.632 5.206 0.026 17 0 "[ . 1 . 2]" 1
1454 4 98 LEU QD 4 99 GLY H 2.820 . 3.840 3.454 2.404 4.248 0.408 15 0 "[ . 1 . 2]" 1
1455 4 99 GLY H 4 100 ALA H 2.120 . 2.440 2.598 2.383 2.764 0.324 1 0 "[ . 1 . 2]" 1
1456 4 99 GLY H 4 100 ALA MB 3.300 . 4.800 3.995 3.797 4.212 . 0 0 "[ . 1 . 2]" 1
1457 4 99 GLY H 4 101 TYR H 3.430 . 5.060 4.455 4.146 4.996 . 0 0 "[ . 1 . 2]" 1
1458 4 99 GLY H 4 102 CYS H 3.440 . 5.080 4.868 4.547 5.411 0.331 17 0 "[ . 1 . 2]" 1
1459 4 100 ALA H 4 101 TYR H 2.340 . 2.880 2.425 2.169 2.785 . 0 0 "[ . 1 . 2]" 1
1460 4 100 ALA H 4 102 CYS H 2.540 . 3.280 3.190 2.784 3.778 0.498 8 0 "[ . 1 . 2]" 1
1461 4 100 ALA MB 4 101 TYR H 2.280 . 2.760 2.190 2.003 2.481 . 0 0 "[ . 1 . 2]" 1
1462 4 100 ALA MB 4 102 CYS H 3.430 . 5.060 4.366 4.110 4.539 . 0 0 "[ . 1 . 2]" 1
1463 4 101 TYR H 4 102 CYS H 2.210 . 2.620 2.645 2.503 2.793 0.173 12 0 "[ . 1 . 2]" 1
1464 4 101 TYR QD 4 102 CYS H 3.110 . 4.420 3.680 3.254 4.370 . 0 0 "[ . 1 . 2]" 1
1465 4 101 TYR QE 4 105 ILE MD 2.770 . 3.740 2.933 2.651 3.367 . 0 0 "[ . 1 . 2]" 1
1466 4 109 TYR H 4 110 ALA H 2.190 . 2.580 2.415 2.263 2.559 . 0 0 "[ . 1 . 2]" 1
1467 4 109 TYR H 4 111 ARG H 2.980 . 4.160 3.989 3.792 4.232 0.072 5 0 "[ . 1 . 2]" 1
1468 4 109 TYR QD 4 110 ALA H 3.390 . 4.980 4.373 4.052 4.530 . 0 0 "[ . 1 . 2]" 1
1469 4 110 ALA H 4 111 ARG H 2.200 . 2.600 2.609 2.510 2.746 0.146 9 0 "[ . 1 . 2]" 1
1470 4 110 ALA H 4 112 GLU H 3.270 . 4.740 4.092 3.837 4.421 . 0 0 "[ . 1 . 2]" 1
1471 4 110 ALA MB 4 111 ARG H 2.700 . 3.600 2.429 2.248 2.675 . 0 0 "[ . 1 . 2]" 1
1472 4 110 ALA MB 4 114 ILE MD 3.440 . 5.080 3.312 2.879 3.736 . 0 0 "[ . 1 . 2]" 1
1473 4 110 ALA MB 4 128 LEU QD 3.460 . 5.120 3.838 3.162 4.641 . 0 0 "[ . 1 . 2]" 1
1474 4 111 ARG H 4 112 GLU H 2.440 . 3.080 2.722 2.451 2.840 . 0 0 "[ . 1 . 2]" 1
1475 4 111 ARG H 4 113 CYS H 3.050 . 4.300 4.288 4.000 4.551 0.251 14 0 "[ . 1 . 2]" 1
1476 4 111 ARG H 4 128 LEU QD 3.250 . 4.700 3.982 3.391 4.950 0.250 10 0 "[ . 1 . 2]" 1
1477 4 112 GLU H 4 113 CYS H 2.360 . 2.920 2.755 2.622 2.875 . 0 0 "[ . 1 . 2]" 1
1478 4 112 GLU H 4 114 ILE H 3.460 . 5.120 4.297 4.011 4.486 . 0 0 "[ . 1 . 2]" 1
1479 4 112 GLU H 4 115 THR H 3.500 . 5.200 4.709 4.617 4.890 . 0 0 "[ . 1 . 2]" 1
1480 4 113 CYS H 4 114 ILE H 2.410 . 3.020 2.771 2.675 2.848 . 0 0 "[ . 1 . 2]" 1
1481 4 113 CYS H 4 115 THR H 3.100 . 4.400 4.220 4.118 4.376 . 0 0 "[ . 1 . 2]" 1
1482 4 113 CYS H 4 116 SER H 3.330 . 4.860 4.968 4.817 5.116 0.256 5 0 "[ . 1 . 2]" 1
1483 4 114 ILE H 4 115 THR H 2.440 . 3.080 2.787 2.695 2.995 . 0 0 "[ . 1 . 2]" 1
1484 4 114 ILE H 4 116 SER H 3.060 . 4.320 4.348 4.193 4.460 0.140 4 0 "[ . 1 . 2]" 1
1485 4 114 ILE H 4 117 MET H 3.420 . 5.040 4.990 4.879 5.111 0.071 4 0 "[ . 1 . 2]" 1
1486 4 114 ILE H 4 117 MET ME 3.510 . 5.220 3.561 3.272 3.630 . 0 0 "[ . 1 . 2]" 1
1487 4 114 ILE MD 4 128 LEU QD 2.560 . 3.320 1.814 1.593 2.075 0.207 7 0 "[ . 1 . 2]" 1
1488 4 115 THR H 4 116 SER H 2.360 . 2.920 2.746 2.611 2.846 . 0 0 "[ . 1 . 2]" 1
1489 4 115 THR H 4 117 MET H 3.300 . 4.800 4.256 4.098 4.573 . 0 0 "[ . 1 . 2]" 1
1490 4 115 THR H 4 118 VAL H 3.460 . 5.120 4.856 4.706 4.942 . 0 0 "[ . 1 . 2]" 1
1491 4 116 SER H 4 117 MET H 2.290 . 2.780 2.651 2.554 2.778 . 0 0 "[ . 1 . 2]" 1
1492 4 116 SER H 4 118 VAL H 2.990 . 4.180 4.109 3.992 4.321 0.141 20 0 "[ . 1 . 2]" 1
1493 4 116 SER H 4 119 SER H 3.460 . 5.120 4.883 4.758 5.122 0.002 7 0 "[ . 1 . 2]" 1
1494 4 117 MET H 4 118 VAL H 2.360 . 2.920 2.555 2.360 2.684 . 0 0 "[ . 1 . 2]" 1
1495 4 117 MET H 4 119 SER H 3.220 . 4.640 4.162 3.919 4.319 . 0 0 "[ . 1 . 2]" 1
1496 4 117 MET ME 4 118 VAL H 3.490 . 5.180 4.299 4.034 4.442 . 0 0 "[ . 1 . 2]" 1
1497 4 118 VAL H 4 119 SER H 2.400 . 3.000 2.670 2.560 2.789 . 0 0 "[ . 1 . 2]" 1
1498 4 118 VAL MG1 4 119 SER H 3.030 . 4.260 3.372 3.244 3.516 . 0 0 "[ . 1 . 2]" 1
1499 4 118 VAL MG1 4 123 PHE H 3.080 . 4.360 3.577 3.134 3.940 . 0 0 "[ . 1 . 2]" 1
1500 4 118 VAL MG1 4 123 PHE QD 3.170 . 4.540 3.563 3.360 3.790 . 0 0 "[ . 1 . 2]" 1
1501 4 118 VAL MG1 4 126 LEU H 3.410 . 5.020 2.975 2.580 3.453 . 0 0 "[ . 1 . 2]" 1
1502 4 118 VAL MG2 4 119 SER H 3.280 . 4.760 3.881 3.822 3.974 . 0 0 "[ . 1 . 2]" 1
1503 4 118 VAL MG2 4 126 LEU H 3.420 . 5.040 3.683 3.410 4.072 . 0 0 "[ . 1 . 2]" 1
1504 4 118 VAL MG2 4 126 LEU MD2 3.480 . 5.160 2.479 2.106 3.052 . 0 0 "[ . 1 . 2]" 1
1505 4 119 SER H 4 121 GLY H 3.080 . 4.360 3.930 3.705 4.082 . 0 0 "[ . 1 . 2]" 1
1506 4 119 SER H 4 123 PHE H 3.380 . 4.960 5.177 4.806 5.441 0.481 20 0 "[ . 1 . 2]" 1
1507 4 121 GLY H 4 122 THR H 2.300 . 2.800 2.640 2.541 2.753 . 0 0 "[ . 1 . 2]" 1
1508 4 121 GLY H 4 123 PHE H 2.750 . 3.700 3.657 3.404 4.168 0.468 20 0 "[ . 1 . 2]" 1
1509 4 122 THR H 4 123 PHE H 2.260 . 2.730 2.621 2.529 2.700 . 0 0 "[ . 1 . 2]" 1
1510 4 125 GLN H 4 126 LEU H 3.330 . 4.860 4.577 4.495 4.686 . 0 0 "[ . 1 . 2]" 1
1511 4 126 LEU H 4 127 ASN H 3.050 . 4.300 4.113 3.772 4.457 0.157 2 0 "[ . 1 . 2]" 1
1512 4 126 LEU MD1 4 127 ASN H 2.780 . 3.760 2.857 2.404 3.562 . 0 0 "[ . 1 . 2]" 1
1513 4 127 ASN H 4 128 LEU H 3.140 . 4.480 4.166 3.903 4.348 . 0 0 "[ . 1 . 2]" 1
1514 4 128 LEU H 4 129 ALA H 3.340 . 4.880 4.540 4.415 4.644 . 0 0 "[ . 1 . 2]" 1
1515 4 128 LEU QD 4 129 ALA H 3.450 . 5.100 3.795 3.200 4.511 . 0 0 "[ . 1 . 2]" 1
1516 4 131 VAL QG 4 133 PHE H 3.180 . 4.560 3.715 3.261 4.577 0.017 12 0 "[ . 1 . 2]" 1
1517 4 131 VAL QG 4 133 PHE QD 3.030 . 4.260 3.632 3.038 5.379 1.119 12 1 "[ . 1 + . 2]" 1
1518 4 131 VAL QG 4 133 PHE QE 2.790 . 3.780 3.709 2.700 6.863 3.083 12 5 "[* * * 1 + - 2]" 1
1519 4 133 PHE H 4 134 ASP H 2.230 . 2.660 2.616 2.431 2.867 0.207 7 0 "[ . 1 . 2]" 1
1520 4 133 PHE H 4 135 ALA H 3.060 . 4.320 4.550 4.096 5.166 0.846 14 3 "[ - * 1 +. 2]" 1
1521 4 133 PHE H 4 136 LEU H 3.410 . 5.020 5.334 4.755 5.740 0.720 8 5 "[ .* + 1 - . ** 2]" 1
1522 4 133 PHE QD 4 134 ASP H 3.370 . 4.940 4.164 3.312 4.695 . 0 0 "[ . 1 . 2]" 1
1523 4 134 ASP H 4 135 ALA H 2.260 . 2.720 2.857 2.705 3.150 0.430 1 0 "[ . 1 . 2]" 1
1524 4 134 ASP H 4 136 LEU H 3.110 . 4.410 4.260 3.896 4.717 0.307 6 0 "[ . 1 . 2]" 1
1525 4 134 ASP H 4 137 PHE H 3.480 . 5.160 5.040 4.696 5.503 0.343 14 0 "[ . 1 . 2]" 1
1526 4 135 ALA H 4 136 LEU H 2.300 . 2.800 2.673 2.497 2.894 0.094 6 0 "[ . 1 . 2]" 1
1527 4 135 ALA H 4 137 PHE H 3.130 . 4.460 4.304 3.961 4.810 0.350 14 0 "[ . 1 . 2]" 1
1528 4 135 ALA H 4 138 MET H 3.250 . 4.700 4.900 4.605 5.344 0.644 15 2 "[ . 1 -+ 2]" 1
1529 4 135 ALA H 4 138 MET ME 3.220 . 4.640 3.574 3.232 3.998 . 0 0 "[ . 1 . 2]" 1
1530 4 135 ALA MB 4 136 LEU H 2.570 . 3.340 2.714 2.382 2.989 . 0 0 "[ . 1 . 2]" 1
1531 4 135 ALA MB 4 138 MET ME 3.310 . 4.820 3.371 2.834 4.036 . 0 0 "[ . 1 . 2]" 1
1532 4 136 LEU H 4 137 PHE H 2.400 . 3.000 2.596 2.345 2.979 . 0 0 "[ . 1 . 2]" 1
1533 4 136 LEU H 4 138 MET H 3.020 . 4.240 4.084 3.725 4.468 0.228 17 0 "[ . 1 . 2]" 1
1534 4 137 PHE H 4 138 MET H 2.200 . 2.600 2.549 2.187 2.929 0.329 17 0 "[ . 1 . 2]" 1
1535 4 137 PHE H 4 139 ASN H 3.080 . 4.360 4.155 3.648 4.654 0.294 18 0 "[ . 1 . 2]" 1
1536 4 137 PHE QD 4 138 MET H 3.410 . 5.020 4.203 3.529 4.544 . 0 0 "[ . 1 . 2]" 1
1537 4 137 PHE QD 4 141 LEU QD 3.410 . 5.020 4.083 2.516 7.576 2.556 13 2 "[ . 1 + - 2]" 1
1538 4 138 MET H 4 139 ASN H 2.360 . 2.920 2.687 2.502 2.965 0.045 17 0 "[ . 1 . 2]" 1
1539 4 138 MET H 4 140 TYR H 3.260 . 4.720 4.260 3.939 4.891 0.171 11 0 "[ . 1 . 2]" 1
1540 4 138 MET H 4 141 LEU H 3.310 . 4.820 5.040 4.585 5.834 1.014 11 6 "[ - * * 1+ * . * 2]" 1
1541 4 139 ASN H 4 140 TYR H 2.390 . 2.980 2.633 2.379 2.903 . 0 0 "[ . 1 . 2]" 1
1542 4 139 ASN H 4 141 LEU H 3.010 . 4.220 4.157 3.728 4.675 0.455 7 0 "[ . 1 . 2]" 1
1543 4 140 TYR H 4 141 LEU H 2.110 . 2.420 2.547 2.254 2.950 0.530 7 1 "[ . + 1 . 2]" 1
1544 4 140 TYR QD 4 141 LEU H 3.220 . 4.640 4.212 3.631 4.748 0.108 13 0 "[ . 1 . 2]" 1
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