NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579716 |
2mf6   |
18125 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mf6
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 2756
_Distance_constraint_stats_list.Viol_count 20862
_Distance_constraint_stats_list.Viol_total 2465136.500
_Distance_constraint_stats_list.Viol_max 20.957
_Distance_constraint_stats_list.Viol_rms 5.7303
_Distance_constraint_stats_list.Viol_average_all_restraints 3.9754
_Distance_constraint_stats_list.Viol_average_violations_only 7.8776
_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 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 4 ALA 1.898 0.209 3 0 "[ . 1 .]"
1 5 ARG 34.237 2.348 6 15 [*****+*-*******]
1 6 LYS 1217.037 14.855 3 15 [*-+************]
1 7 CYS 82.841 2.964 11 15 [*-********+****]
1 8 SER 211.334 14.024 3 15 [**+*******-****]
1 9 LEU 1030.464 13.275 8 15 [*****-*+*******]
1 10 THR 1234.083 14.225 8 15 [*****-*+*******]
1 11 GLY 730.613 16.185 1 15 [+*************-]
1 12 LYS 1033.202 14.492 3 15 [**+*-**********]
1 13 TRP 179.735 9.483 5 15 [****+******-***]
1 14 THR 125.198 2.982 11 15 [**********+-***]
1 15 ASN 189.211 5.393 8 15 [*******+***-***]
1 16 ASP 1523.533 14.652 8 15 [*******+*******]
1 17 LEU 522.471 15.086 6 15 [***-*+*********]
1 18 GLY 156.014 10.453 10 15 [-********+*****]
1 19 SER 1508.324 17.627 6 15 [*-***+*********]
1 20 ASN 458.193 14.024 3 15 [**+***********-]
1 21 MET 1.914 0.181 9 0 "[ . 1 .]"
1 22 THR 1.914 0.181 9 0 "[ . 1 .]"
1 23 ILE 1183.409 12.624 14 15 [*-***********+*]
1 24 GLY 312.138 8.897 13 15 [**********-*+**]
1 25 ALA 23.086 1.658 3 15 [**+-***********]
1 26 VAL 124.304 3.538 12 15 [***-*******+***]
1 27 ASN 121.351 4.356 8 15 [*****-*+*******]
1 28 SER 526.486 14.891 5 15 [****+*********-]
1 29 ARG 2401.712 12.958 1 15 [+*************-]
1 30 GLY 5.483 0.380 5 0 "[ . 1 .]"
1 31 GLU 365.245 15.798 11 15 [**********+****]
1 32 PHE 1643.418 20.312 13 15 [**********-*+**]
1 33 THR 1512.415 20.552 5 15 [****+*****-****]
1 34 GLY 393.821 15.086 6 15 [*****+***-*****]
1 35 THR 1267.058 14.652 8 15 [******-+*******]
1 36 TYR 952.974 12.725 15 15 [**************+]
1 37 ILE 300.328 7.729 5 15 [****+*********-]
1 38 THR 138.759 4.221 15 15 [**-***********+]
1 39 ALA 0.252 0.054 5 0 "[ . 1 .]"
1 40 VAL 13.652 1.225 11 15 [**********+-***]
1 41 ALA 64.181 2.482 12 15 [********-**+***]
1 42 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 43 ASN 221.461 10.061 4 15 [***+********-**]
1 44 PRO 1126.992 11.024 15 15 [******-*******+]
1 45 GLY 305.578 12.163 7 15 [******+*****-**]
1 46 ASN 999.402 20.552 5 15 [****+********-*]
1 47 ILE 826.550 20.199 5 15 [****+********-*]
1 48 THR 246.581 14.644 5 15 [****+********-*]
1 49 LEU 1918.224 15.798 11 15 [**********+***-]
1 50 SER 1.731 0.176 7 0 "[ . 1 .]"
1 52 LEU 377.611 14.891 5 15 [****+*****-****]
1 53 LEU 1809.116 15.478 3 15 [**+*******-****]
1 54 GLY 148.994 10.232 3 15 [**+***********-]
1 55 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 57 HIS 39.283 1.702 6 15 [*****+********-]
1 59 ARG 143.564 10.447 10 15 [*-*******+*****]
1 60 ALA 171.965 10.232 3 15 [**+********-***]
1 61 SER 1055.133 17.143 11 15 [**********+***-]
1 62 GLN 1911.090 19.465 11 15 [*********-+****]
1 64 THR 297.247 19.959 7 15 [***-**+********]
1 65 PHE 724.619 17.503 10 15 [*******-*+*****]
1 66 GLY 524.313 20.321 12 15 [****-******+***]
1 67 PHE 625.021 16.002 12 15 [-**********+***]
1 68 THR 1184.742 14.125 12 15 [***-*******+***]
1 69 VAL 31.859 2.026 11 15 [*********-+****]
1 70 ASN 888.866 12.163 7 15 [******+-*******]
1 71 TRP 201.532 3.891 9 15 [***-****+******]
1 72 LYS 127.288 8.305 9 15 [*****-**+******]
1 73 PHE 444.663 11.225 14 15 [*******-*****+*]
1 74 SER 658.294 16.002 12 15 [********-**+***]
1 75 GLU 3251.651 20.321 12 15 [********-**+***]
1 76 SER 1421.051 17.503 10 15 [*******-*+*****]
1 77 THR 801.167 19.959 7 15 [-*****+********]
1 78 THR 512.624 17.318 6 15 [****-+*********]
1 79 VAL 1407.168 19.465 11 15 [**********+***-]
1 80 PHE 1580.700 17.143 11 15 [**********+***-]
1 81 THR 1583.718 16.439 5 15 [-***+**********]
1 82 GLY 604.316 16.391 7 15 [***-**+********]
1 83 GLN 1143.530 15.735 7 15 [***-**+********]
1 84 CYS 921.261 13.330 7 15 [******+-*******]
1 85 PHE 0.551 0.136 1 0 "[ . 1 .]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 87 ASP 185.254 6.344 2 15 [*+********-****]
1 88 ARG 904.003 10.540 9 15 [********+*-****]
1 89 ASN 939.623 15.735 7 15 [***-**+********]
1 90 GLY 527.505 16.391 7 15 [-*****+********]
1 91 LYS 3290.844 18.867 1 15 [+*************-]
1 92 GLU 634.338 16.733 6 15 [***-*+*********]
1 93 VAL 2091.623 18.847 8 15 [******-+*******]
1 94 LEU 170.967 11.196 7 15 [******+*******-]
1 95 LYS 3052.970 20.491 3 15 [**+***********-]
1 96 THR 1735.706 18.291 1 15 [+*****-********]
1 97 MET 2149.469 17.488 3 15 [**+***-********]
1 98 TRP 1494.929 14.337 15 15 [**************+]
1 99 LEU 895.005 11.044 6 15 [*****+*******-*]
1 100 LEU 118.329 8.305 9 15 [*******-+******]
1 101 ARG 627.752 8.161 3 15 [**+**********-*]
1 102 SER 12.084 0.911 8 15 [******-+*******]
1 103 SER 99.961 3.238 7 15 [***-**+********]
1 104 VAL 41.457 1.292 6 15 [***-*+*********]
1 105 ASN 114.270 3.238 7 15 [******+*-******]
1 106 ASP 307.979 8.161 3 15 [**+******-*****]
1 107 ILE 254.059 6.466 7 15 [-*****+********]
1 108 GLY 8.946 0.818 12 9 "[** .*** -*+ *.]"
1 109 ASP 62.535 5.153 7 15 [-*****+********]
1 110 ASP 1353.398 13.352 6 15 [****-+*********]
1 111 TRP 517.907 13.946 9 15 [*-******+******]
1 112 LYS 427.965 17.488 3 15 [**+-***********]
1 113 ALA 473.971 16.886 3 15 [**+*****-******]
1 114 THR 1419.037 20.491 3 15 [**+-***********]
1 115 ARG 655.948 15.788 6 15 [*****+*****-***]
1 116 VAL 528.236 13.440 6 15 [*****+*******-*]
1 117 GLY 141.675 9.483 5 15 [****+***-******]
1 118 TYR 3204.002 18.867 1 15 [+*****-********]
1 119 ASN 552.648 14.894 4 15 [*-*+***********]
1 120 ILE 350.871 12.864 14 15 [***********-*+*]
1 121 PHE 960.375 10.679 4 15 [***+*-*********]
1 122 THR 12.323 1.073 8 12 "[*****-*+ ** **.]"
1 123 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 124 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 125 ARG 1.753 0.307 4 0 "[ . 1 .]"
1 126 THR 1.753 0.307 4 0 "[ . 1 .]"
2 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 4 ALA 1.332 0.219 12 0 "[ . 1 .]"
2 5 ARG 35.724 2.339 11 15 [**********+****]
2 6 LYS 1221.014 14.932 3 15 [**+***-********]
2 7 CYS 83.988 3.014 12 15 [******-****+***]
2 8 SER 213.070 14.130 3 15 [**+********-***]
2 9 LEU 1031.389 13.279 8 15 [*******+*****-*]
2 10 THR 1234.442 14.229 8 15 [*******+*****-*]
2 11 GLY 730.349 16.215 1 15 [+*************-]
2 12 LYS 1032.188 14.442 1 15 [+***-**********]
2 13 TRP 179.446 9.462 4 15 [***+***********]
2 14 THR 122.856 2.963 11 15 [**********+-***]
2 15 ASN 188.739 5.383 8 15 [*******+***-***]
2 16 ASP 1523.794 14.672 8 15 [*******+*******]
2 17 LEU 523.023 15.199 6 15 [***-*+*********]
2 18 GLY 155.849 10.438 10 15 [*******-*+*****]
2 19 SER 1509.582 17.556 5 15 [*-**+**********]
2 20 ASN 459.619 14.130 3 15 [**+***********-]
2 21 MET 2.088 0.189 9 0 "[ . 1 .]"
2 22 THR 2.088 0.189 9 0 "[ . 1 .]"
2 23 ILE 1178.966 12.633 14 15 [******-******+*]
2 24 GLY 311.761 8.931 8 15 [*******+**-****]
2 25 ALA 23.252 1.664 3 15 [**+*******-****]
2 26 VAL 124.224 3.497 12 15 [***-*******+***]
2 27 ASN 120.968 4.369 8 15 [*******+*******]
2 28 SER 527.476 14.908 5 15 [****+*********-]
2 29 ARG 2403.580 12.891 1 15 [+*************-]
2 30 GLY 5.350 0.377 14 0 "[ . 1 .]"
2 31 GLU 366.527 15.861 11 15 [**********+****]
2 32 PHE 1643.655 20.202 13 15 [**********-*+**]
2 33 THR 1499.855 20.271 5 15 [****+*****-****]
2 34 GLY 393.147 15.199 6 15 [*****+***-*****]
2 35 THR 1267.496 14.672 8 15 [******-+*******]
2 36 TYR 952.827 12.727 8 15 [*******+******-]
2 37 ILE 298.654 7.728 5 15 [****+*-********]
2 38 THR 138.831 4.241 15 15 [**-***********+]
2 39 ALA 0.282 0.050 7 0 "[ . 1 .]"
2 40 VAL 13.767 1.211 11 15 [******-***+****]
2 41 ALA 64.090 2.446 12 15 [********-**+***]
2 42 ASP 0.000 0.000 . 0 "[ . 1 .]"
2 43 ASN 221.302 10.046 4 15 [***+********-**]
2 44 PRO 1127.028 11.024 15 15 [******-*******+]
2 45 GLY 305.519 12.166 7 15 [******+*****-**]
2 46 ASN 993.175 20.271 5 15 [*-**+**********]
2 47 ILE 823.716 20.202 12 15 [*-*********+***]
2 48 THR 244.068 14.433 14 15 [*************+*]
2 49 LEU 1915.881 15.861 11 15 [**********+***-]
2 50 SER 1.787 0.188 7 0 "[ . 1 .]"
2 52 LEU 374.227 14.908 5 15 [**-*+**********]
2 53 LEU 1808.065 15.485 3 15 [**+************]
2 54 GLY 149.905 10.362 3 15 [**+***********-]
2 55 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 56 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 57 HIS 39.400 1.673 6 15 [*****+********-]
2 59 ARG 143.492 10.436 10 15 [*-*******+*****]
2 60 ALA 172.815 10.362 3 15 [**+***********-]
2 61 SER 1058.177 17.161 4 15 [***+**********-]
2 62 GLN 1911.630 19.475 11 15 [*********-+****]
2 64 THR 297.338 19.969 7 15 [***-**+********]
2 65 PHE 724.816 17.510 13 15 [*******-****+**]
2 66 GLY 524.516 20.317 12 15 [****-******+***]
2 67 PHE 625.681 16.028 12 15 [-**********+***]
2 68 THR 1185.711 14.143 12 15 [***-*******+***]
2 69 VAL 31.894 2.017 11 15 [*********-+****]
2 70 ASN 888.582 12.166 7 15 [******+-*******]
2 71 TRP 201.639 3.902 9 15 [***-****+******]
2 72 LYS 127.221 8.302 9 15 [***-****+******]
2 73 PHE 444.949 11.246 14 15 [*******-*****+*]
2 74 SER 658.738 16.028 12 15 [********-**+***]
2 75 GLU 3251.956 20.317 12 15 [********-**+***]
2 76 SER 1420.821 17.510 13 15 [*******-****+**]
2 77 THR 801.024 19.969 7 15 [****-*+********]
2 78 THR 511.948 17.282 13 15 [*******-****+**]
2 79 VAL 1407.022 19.475 11 15 [**********+***-]
2 80 PHE 1582.817 17.161 4 15 [*-*+***********]
2 81 THR 1585.735 16.444 5 15 [-***+**********]
2 82 GLY 603.806 16.368 6 15 [***-*+*********]
2 83 GLN 1141.879 15.782 15 15 [***-**********+]
2 84 CYS 919.263 13.377 15 15 [**********-***+]
2 85 PHE 0.445 0.128 1 0 "[ . 1 .]"
2 86 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 87 ASP 184.848 6.333 13 15 [************+*-]
2 88 ARG 902.181 10.476 9 15 [********+*****-]
2 89 ASN 938.749 15.782 15 15 [-*************+]
2 90 GLY 526.759 16.368 6 15 [-****+*********]
2 91 LYS 3291.222 18.895 5 15 [****+*********-]
2 92 GLU 633.723 16.730 6 15 [***-*+*********]
2 93 VAL 2088.765 18.808 8 15 [******-+*******]
2 94 LEU 170.384 11.148 7 15 [******+*******-]
2 95 LYS 3051.636 20.455 3 15 [**+***********-]
2 96 THR 1735.509 18.312 1 15 [+*****-********]
2 97 MET 2149.218 17.493 3 15 [**+***-********]
2 98 TRP 1494.962 14.344 15 15 [**************+]
2 99 LEU 895.052 11.044 6 15 [*****+*******-*]
2 100 LEU 118.366 8.302 9 15 [*******-+******]
2 101 ARG 626.850 8.030 7 15 [******+******-*]
2 102 SER 12.132 0.927 8 15 [******-+*******]
2 103 SER 100.016 3.218 7 15 [******+**-*****]
2 104 VAL 40.959 1.291 6 15 [*****+****-****]
2 105 ASN 114.229 3.218 7 15 [******+*-******]
2 106 ASP 306.242 8.030 7 15 [****-*+********]
2 107 ILE 254.089 6.450 7 15 [-*****+********]
2 108 GLY 9.022 0.795 12 10 "[** -.*** **+ *.]"
2 109 ASP 62.316 5.166 7 15 [****-*+********]
2 110 ASP 1353.768 13.338 3 15 [**+********-***]
2 111 TRP 518.040 13.951 9 15 [*-******+******]
2 112 LYS 427.966 17.493 3 15 [**+-***********]
2 113 ALA 473.946 16.891 3 15 [**+*****-******]
2 114 THR 1418.848 20.455 3 15 [**+-***********]
2 115 ARG 655.627 15.793 6 15 [*****+*****-***]
2 116 VAL 527.842 13.443 6 15 [*****+*******-*]
2 117 GLY 141.422 9.462 4 15 [***+****-******]
2 118 TYR 3201.932 18.895 5 15 [****+*-********]
2 119 ASN 552.657 14.892 1 15 [+*********-****]
2 120 ILE 350.902 12.836 4 15 [***+*******-***]
2 121 PHE 960.090 10.699 4 15 [***+*-*********]
2 122 THR 12.218 1.078 8 12 "[*****-*+ ** **.]"
2 123 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 124 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 125 ARG 1.337 0.333 11 0 "[ . 1 .]"
2 126 THR 1.337 0.333 11 0 "[ . 1 .]"
3 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
3 4 ALA 1.141 0.200 9 0 "[ . 1 .]"
3 5 ARG 33.778 2.601 6 15 [****-+*********]
3 6 LYS 1218.942 14.890 3 15 [**+*-**********]
3 7 CYS 82.802 2.980 12 15 [*******-***+***]
3 8 SER 212.622 14.016 9 15 [********+**-***]
3 9 LEU 1031.165 13.268 8 15 [*******+****-**]
3 10 THR 1235.861 14.190 8 15 [*******+****-**]
3 11 GLY 730.538 16.228 1 15 [+*************-]
3 12 LYS 1032.063 14.477 3 15 [**+*****-******]
3 13 TRP 179.607 9.499 5 15 [***-+**********]
3 14 THR 123.718 2.927 11 15 [******-***+****]
3 15 ASN 189.330 5.387 8 15 [******-+*******]
3 16 ASP 1524.242 14.675 8 15 [*******+*******]
3 17 LEU 522.480 15.090 6 15 [***-*+*********]
3 18 GLY 155.936 10.422 10 15 [*******-*+*****]
3 19 SER 1508.282 17.609 6 15 [*-***+*********]
3 20 ASN 459.248 14.016 9 15 [********+*****-]
3 21 MET 1.978 0.176 9 0 "[ . 1 .]"
3 22 THR 1.978 0.176 9 0 "[ . 1 .]"
3 23 ILE 1182.615 12.633 14 15 [*-***********+*]
3 24 GLY 312.666 8.910 6 15 [*****+**-******]
3 25 ALA 23.275 1.661 3 15 [**+-***********]
3 26 VAL 124.026 3.529 12 15 [***-*******+***]
3 27 ASN 121.594 4.379 14 15 [*******-*****+*]
3 28 SER 526.529 14.909 5 15 [****+*********-]
3 29 ARG 2400.487 13.006 1 15 [+*************-]
3 30 GLY 5.462 0.380 2 0 "[ . 1 .]"
3 31 GLU 365.212 15.768 11 15 [**********+****]
3 32 PHE 1643.386 20.307 13 15 [**********-*+**]
3 33 THR 1512.403 20.529 5 15 [****+*****-****]
3 34 GLY 393.944 15.090 6 15 [*****+***-*****]
3 35 THR 1267.816 14.675 8 15 [******-+*******]
3 36 TYR 953.562 12.787 15 15 [*******-******+]
3 37 ILE 299.518 7.731 5 15 [****+**-*******]
3 38 THR 138.771 4.217 15 15 [**-***********+]
3 39 ALA 0.253 0.052 14 0 "[ . 1 .]"
3 40 VAL 13.690 1.232 11 15 [**********+-***]
3 41 ALA 64.114 2.462 12 15 [********-**+***]
3 42 ASP 0.000 0.000 . 0 "[ . 1 .]"
3 43 ASN 221.619 10.065 4 15 [***+********-**]
3 44 PRO 1127.487 11.021 15 15 [******-*******+]
3 45 GLY 305.737 12.156 7 15 [******+*****-**]
3 46 ASN 999.332 20.529 5 15 [****+********-*]
3 47 ILE 826.655 20.203 5 15 [****+********-*]
3 48 THR 246.595 14.640 5 15 [****+********-*]
3 49 LEU 1918.093 15.768 11 15 [**********+***-]
3 50 SER 1.858 0.182 3 0 "[ . 1 .]"
3 52 LEU 377.639 14.909 5 15 [****+*****-****]
3 53 LEU 1808.301 15.419 3 15 [**+*******-****]
3 54 GLY 149.003 10.223 3 15 [**+***********-]
3 55 ILE 0.000 0.000 . 0 "[ . 1 .]"
3 56 GLN 0.000 0.000 . 0 "[ . 1 .]"
3 57 HIS 39.761 1.676 6 15 [*****+********-]
3 59 ARG 143.474 10.429 10 15 [*-*******+*****]
3 60 ALA 171.998 10.223 3 15 [**+***********-]
3 61 SER 1059.856 17.137 4 15 [***+**********-]
3 62 GLN 1915.622 19.411 11 15 [**********+-***]
3 64 THR 297.345 19.962 2 15 [*+**-**********]
3 65 PHE 724.354 17.500 10 15 [*********+****-]
3 66 GLY 524.448 20.334 12 15 [****-******+***]
3 67 PHE 625.105 16.018 12 15 [-**********+***]
3 68 THR 1185.031 14.142 12 15 [***-*******+***]
3 69 VAL 31.865 2.031 11 15 [*********-+****]
3 70 ASN 889.554 12.156 7 15 [******+-*******]
3 71 TRP 201.517 3.900 9 15 [***-****+******]
3 72 LYS 127.260 8.310 9 15 [********+*-****]
3 73 PHE 444.718 11.226 14 15 [*******-*****+*]
3 74 SER 658.420 16.018 12 15 [********-**+***]
3 75 GLU 3251.364 20.334 12 15 [********-**+***]
3 76 SER 1420.134 17.500 10 15 [*********+****-]
3 77 THR 801.223 19.962 2 15 [*+**-**********]
3 78 THR 512.267 17.307 9 15 [****-***+******]
3 79 VAL 1407.986 19.411 11 15 [**********+***-]
3 80 PHE 1584.503 17.137 4 15 [*-*+***********]
3 81 THR 1585.935 16.492 5 15 [-***+**********]
3 82 GLY 604.083 16.357 7 15 [***-**+********]
3 83 GLN 1142.391 15.685 7 15 [***-**+********]
3 84 CYS 920.372 13.263 15 15 [**********-***+]
3 85 PHE 0.422 0.121 1 0 "[ . 1 .]"
3 86 ILE 0.000 0.000 . 0 "[ . 1 .]"
3 87 ASP 185.280 6.344 15 15 [**************+]
3 88 ARG 903.154 10.446 7 15 [******+*******-]
3 89 ASN 938.569 15.685 7 15 [-*****+********]
3 90 GLY 526.589 16.357 7 15 [-*****+********]
3 91 LYS 3297.443 18.841 5 15 [****+***-******]
3 92 GLU 634.058 16.724 6 15 [*****+********-]
3 93 VAL 2091.241 18.832 8 15 [******-+*******]
3 94 LEU 171.131 11.176 7 15 [******+*******-]
3 95 LYS 3053.723 20.957 9 15 [********+*****-]
3 96 THR 1735.500 18.301 1 15 [+*****-********]
3 97 MET 2149.480 17.501 3 15 [**+***-********]
3 98 TRP 1495.755 14.337 15 15 [**************+]
3 99 LEU 896.170 11.058 6 15 [*****+*******-*]
3 100 LEU 118.381 8.310 9 15 [*******-+******]
3 101 ARG 624.795 7.968 7 15 [******+******-*]
3 102 SER 12.057 0.917 8 15 [******-+*******]
3 103 SER 99.794 3.213 7 15 [***-**+********]
3 104 VAL 40.554 1.283 6 15 [*****+**-******]
3 105 ASN 113.865 3.213 7 15 [******+*-******]
3 106 ASP 304.424 7.968 7 15 [**-***+********]
3 107 ILE 253.265 6.482 7 15 [-*****+********]
3 108 GLY 9.310 0.864 12 11 "[** *-*** **+ *.]"
3 109 ASP 61.894 5.149 7 15 [**-***+********]
3 110 ASP 1355.193 13.369 6 15 [****-+*********]
3 111 TRP 518.374 13.954 9 15 [*-******+******]
3 112 LYS 428.225 17.501 3 15 [**+-***********]
3 113 ALA 473.969 16.880 3 15 [**+*****-******]
3 114 THR 1419.928 20.957 9 15 [***-****+******]
3 115 ARG 656.543 15.803 6 15 [*****+*****-***]
3 116 VAL 528.733 13.694 9 15 [********+****-*]
3 117 GLY 141.382 9.499 5 15 [****+****-*****]
3 118 TYR 3204.116 18.841 5 15 [****+*-********]
3 119 ASN 552.772 14.902 1 15 [+-*************]
3 120 ILE 350.997 12.842 14 15 [***********-*+*]
3 121 PHE 961.523 10.687 4 15 [***+*-*********]
3 122 THR 12.181 1.082 8 12 "[*****-*+ ** **.]"
3 123 ARG 0.000 0.000 . 0 "[ . 1 .]"
3 124 LEU 0.000 0.000 . 0 "[ . 1 .]"
3 125 ARG 0.517 0.300 15 0 "[ . 1 .]"
3 126 THR 0.517 0.300 15 0 "[ . 1 .]"
4 3 VAL 0.000 0.000 . 0 "[ . 1 .]"
4 4 ALA 1.767 0.208 9 0 "[ . 1 .]"
4 5 ARG 35.388 2.550 12 15 [***********+**-]
4 6 LYS 1220.866 14.896 3 15 [**+****-*******]
4 7 CYS 82.615 3.001 12 15 [*******-***+***]
4 8 SER 212.945 14.077 10 15 [*********+*-***]
4 9 LEU 1030.831 13.279 8 15 [*******+-******]
4 10 THR 1234.411 14.212 8 15 [*******+-******]
4 11 GLY 729.476 16.181 3 15 [**+***********-]
4 12 LYS 1032.106 14.464 3 15 [**+-***********]
4 13 TRP 179.445 9.501 5 15 [****+******-***]
4 14 THR 124.291 2.987 11 15 [****-*****+****]
4 15 ASN 188.731 5.399 8 15 [****-**+*******]
4 16 ASP 1522.987 14.639 8 15 [*******+*******]
4 17 LEU 522.992 15.172 6 15 [***-*+*********]
4 18 GLY 155.878 10.433 10 15 [*********+*-***]
4 19 SER 1508.948 17.549 5 15 [*-**+**********]
4 20 ASN 459.270 14.077 10 15 [*********+****-]
4 21 MET 1.981 0.177 9 0 "[ . 1 .]"
4 22 THR 1.981 0.177 9 0 "[ . 1 .]"
4 23 ILE 1179.790 12.650 14 15 [******-******+*]
4 24 GLY 312.398 8.945 8 15 [*******+**-****]
4 25 ALA 23.295 1.661 3 15 [**+*******-****]
4 26 VAL 123.816 3.501 12 15 [***-*******+***]
4 27 ASN 121.123 4.386 14 15 [*******-*****+*]
4 28 SER 527.585 14.920 5 15 [****+*********-]
4 29 ARG 2403.224 12.824 1 15 [+*************-]
4 30 GLY 5.374 0.378 14 0 "[ . 1 .]"
4 31 GLU 366.467 15.850 11 15 [**********+****]
4 32 PHE 1643.646 20.206 12 15 [**********-+***]
4 33 THR 1500.186 20.271 5 15 [****+*****-****]
4 34 GLY 393.142 15.172 6 15 [*****+***-*****]
4 35 THR 1267.005 14.639 8 15 [******-+*******]
4 36 TYR 952.599 12.734 15 15 [*******-******+]
4 37 ILE 299.897 7.730 5 15 [****+**-*******]
4 38 THR 140.081 4.428 15 15 [**-***********+]
4 39 ALA 0.257 0.051 5 0 "[ . 1 .]"
4 40 VAL 14.011 1.328 15 15 [******-*******+]
4 41 ALA 64.638 2.449 12 15 [********-**+***]
4 42 ASP 0.000 0.000 . 0 "[ . 1 .]"
4 43 ASN 221.261 10.051 4 15 [***+********-**]
4 44 PRO 1127.555 11.020 15 15 [******-*******+]
4 45 GLY 305.610 12.168 7 15 [******+*****-**]
4 46 ASN 993.201 20.271 5 15 [*-**+**********]
4 47 ILE 823.934 20.206 12 15 [*-*********+***]
4 48 THR 244.162 14.437 14 15 [*************+*]
4 49 LEU 1916.052 15.850 11 15 [**********+***-]
4 50 SER 1.814 0.185 7 0 "[ . 1 .]"
4 52 LEU 374.112 14.920 5 15 [**-*+**********]
4 53 LEU 1806.877 15.519 3 15 [**+************]
4 54 GLY 149.935 10.356 3 15 [**+***********-]
4 55 ILE 0.000 0.000 . 0 "[ . 1 .]"
4 56 GLN 0.000 0.000 . 0 "[ . 1 .]"
4 57 HIS 39.712 1.670 6 15 [*****+********-]
4 59 ARG 143.479 10.446 10 15 [*-*******+*****]
4 60 ALA 172.978 10.356 3 15 [**+***********-]
4 61 SER 1057.437 17.099 11 15 [**********+***-]
4 62 GLN 1911.674 19.448 11 15 [**********+-***]
4 64 THR 297.410 19.977 7 15 [****-*+********]
4 65 PHE 724.922 17.522 13 15 [*******-****+**]
4 66 GLY 524.510 20.319 12 15 [****-******+***]
4 67 PHE 625.619 16.015 12 15 [-**********+***]
4 68 THR 1185.441 14.140 12 15 [***-*******+***]
4 69 VAL 31.850 2.008 11 15 [*********-+****]
4 70 ASN 888.612 12.168 7 15 [******+-*******]
4 71 TRP 201.468 3.893 9 15 [***-****+******]
4 72 LYS 127.157 8.304 9 15 [***-****+******]
4 73 PHE 444.875 11.235 14 15 [*******-*****+*]
4 74 SER 658.701 16.015 12 15 [********-**+***]
4 75 GLU 3252.744 20.319 12 15 [********-**+***]
4 76 SER 1421.514 17.522 13 15 [*******-****+**]
4 77 THR 801.418 19.977 7 15 [****-*+********]
4 78 THR 512.763 17.339 9 15 [*******-+******]
4 79 VAL 1407.851 19.448 11 15 [**********+***-]
4 80 PHE 1583.091 17.099 11 15 [*-********+****]
4 81 THR 1586.801 16.489 5 15 [-***+**********]
4 82 GLY 604.042 16.352 7 15 [***-**+********]
4 83 GLN 1141.649 15.684 15 15 [***-**********+]
4 84 CYS 920.280 13.304 15 15 [**********-***+]
4 85 PHE 0.414 0.126 1 0 "[ . 1 .]"
4 86 ILE 0.000 0.000 . 0 "[ . 1 .]"
4 87 ASP 185.430 6.358 2 15 [*+********-****]
4 88 ARG 902.337 10.483 9 15 [********+*-****]
4 89 ASN 938.708 15.684 15 15 [-*************+]
4 90 GLY 526.535 16.352 7 15 [-*****+********]
4 91 LYS 3295.627 18.927 5 15 [****+***-******]
4 92 GLU 634.430 16.727 7 15 [******+-*******]
4 93 VAL 2092.363 18.844 8 15 [******-+*******]
4 94 LEU 170.984 11.185 7 15 [******+*******-]
4 95 LYS 3055.133 20.952 9 15 [********+*****-]
4 96 THR 1736.446 18.308 1 15 [+*****-********]
4 97 MET 2149.969 17.493 3 15 [**+***-********]
4 98 TRP 1496.039 14.358 15 15 [**************+]
4 99 LEU 896.251 11.056 6 15 [*****+*******-*]
4 100 LEU 118.309 8.304 9 15 [*******-+******]
4 101 ARG 626.709 8.012 7 15 [******+******-*]
4 102 SER 12.062 0.923 8 15 [******-+*******]
4 103 SER 99.805 3.228 7 15 [***-**+********]
4 104 VAL 40.623 1.297 6 15 [***-*+*********]
4 105 ASN 113.839 3.228 7 15 [****-*+********]
4 106 ASP 305.744 8.012 7 15 [****-*+********]
4 107 ILE 253.838 6.452 7 15 [-*****+********]
4 108 GLY 8.968 0.799 12 11 "[** *-*** **+ *.]"
4 109 ASP 62.207 5.161 7 15 [******+*****-**]
4 110 ASP 1355.342 13.361 6 15 [*****+*******-*]
4 111 TRP 518.485 13.950 9 15 [*-******+******]
4 112 LYS 428.105 17.493 3 15 [**+-***********]
4 113 ALA 473.791 16.883 3 15 [**+*****-******]
4 114 THR 1419.820 20.952 9 15 [***-****+******]
4 115 ARG 656.437 15.803 6 15 [*****+*****-***]
4 116 VAL 528.618 13.685 9 15 [********+****-*]
4 117 GLY 141.277 9.501 5 15 [****+***-******]
4 118 TYR 3204.819 18.927 5 15 [****+*-********]
4 119 ASN 552.568 14.840 1 15 [+**********-***]
4 120 ILE 351.036 12.859 4 15 [***+*******-***]
4 121 PHE 959.907 10.740 4 15 [***+*-*********]
4 122 THR 12.242 1.080 8 12 "[*****-*+ ** **.]"
4 123 ARG 0.000 0.000 . 0 "[ . 1 .]"
4 124 LEU 0.000 0.000 . 0 "[ . 1 .]"
4 125 ARG 0.000 0.000 . 0 "[ . 1 .]"
4 126 THR 0.000 0.000 . 0 "[ . 1 .]"
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 3 VAL HA 1 3 VAL HB 2.770 . 3.740 2.722 2.392 3.057 . 0 0 "[ . 1 .]" 1
2 1 3 VAL HA 1 3 VAL QG 3.060 . 4.320 2.216 2.112 2.325 . 0 0 "[ . 1 .]" 1
3 1 3 VAL H 1 3 VAL HB 3.300 . 4.800 3.295 2.545 4.056 . 0 0 "[ . 1 .]" 1
4 1 3 VAL HB 1 4 ALA H 3.440 . 5.080 3.859 2.060 4.607 . 0 0 "[ . 1 .]" 1
5 1 4 ALA HA 1 5 ARG H 2.600 . 3.400 2.853 2.177 3.609 0.209 3 0 "[ . 1 .]" 1
6 1 4 ALA H 1 5 ARG H 3.120 . 4.440 3.902 2.478 4.644 0.204 5 0 "[ . 1 .]" 1
7 1 5 ARG HA 1 5 ARG QB 2.670 . 3.540 2.309 1.941 2.537 . 0 0 "[ . 1 .]" 1
8 1 5 ARG H 1 5 ARG QB 3.180 . 4.560 2.997 2.011 3.512 . 0 0 "[ . 1 .]" 1
9 1 5 ARG HA 1 6 LYS H 2.560 . 3.320 2.595 2.194 3.449 0.129 10 0 "[ . 1 .]" 1
10 1 5 ARG HA 1 6 LYS QD 4.020 . 6.240 6.342 4.251 7.003 0.763 15 3 "[ * . - 1 +]" 1
11 1 5 ARG QB 1 6 LYS H 3.120 . 4.450 3.787 2.763 4.075 . 0 0 "[ . 1 .]" 1
12 1 5 ARG HA 1 7 CYS H 2.950 . 4.100 5.926 5.268 6.448 2.348 6 15 [*****+-********] 1
13 1 6 LYS HA 1 6 LYS QD 3.400 . 5.000 3.758 2.735 3.924 . 0 0 "[ . 1 .]" 1
14 1 6 LYS H 1 6 LYS QD 4.040 . 6.280 4.688 3.054 5.347 . 0 0 "[ . 1 .]" 1
15 1 6 LYS QB 1 7 CYS H 2.600 . 3.400 3.383 2.605 4.019 0.619 7 3 "[ - * + 1 .]" 1
16 1 6 LYS H 1 7 CYS H 2.640 . 3.480 4.148 3.785 4.421 0.941 10 12 "[* -*.* **+*****]" 1
17 1 6 LYS QD 1 7 CYS H 4.310 . 6.820 4.747 3.860 5.440 . 0 0 "[ . 1 .]" 1
18 1 6 LYS QD 1 23 ILE QG 5.490 . 9.180 10.553 9.266 11.534 2.354 4 12 "[*-*+.** ******.]" 1
19 1 6 LYS QB 1 29 ARG HE 4.650 . 7.500 19.230 16.579 20.458 12.958 1 15 [+****-*********] 1
20 1 6 LYS QD 1 29 ARG HE 5.120 . 8.430 18.208 15.694 20.556 12.126 3 15 [**+**-*********] 1
21 1 6 LYS QD 1 53 LEU QB 3.790 . 5.790 19.139 17.469 20.645 14.855 3 15 [**+***********-] 1
22 1 6 LYS QD 1 53 LEU HA 4.140 . 6.490 19.183 17.288 20.807 14.317 3 15 [**+***********-] 1
23 1 6 LYS QD 1 62 GLN QB 4.060 . 6.290 8.504 6.347 9.470 3.180 7 14 "[*** **+*-******]" 1
24 1 6 LYS QD 1 62 GLN QE 4.290 . 6.780 9.080 7.554 11.448 4.668 1 15 [+*******-******] 1
25 1 6 LYS QD 1 62 GLN HA 4.580 . 7.360 7.980 6.484 9.149 1.789 3 10 "[**+ . ** -****.]" 1
26 1 6 LYS QD 1 81 THR HB 4.390 . 6.980 18.785 17.244 20.632 13.652 3 15 [**+***********-] 1
27 1 6 LYS HA 1 91 LYS QD 3.630 . 5.460 13.091 11.576 13.996 8.536 10 15 [-********+*****] 1
28 1 6 LYS QD 1 91 LYS QD 4.460 . 7.120 13.414 11.572 14.961 7.841 10 15 [**-******+*****] 1
29 1 7 CYS HA 1 8 SER H 2.540 . 3.280 2.251 2.072 2.411 . 0 0 "[ . 1 .]" 1
30 1 7 CYS H 1 8 SER H 3.100 . 4.400 4.449 4.387 4.489 0.089 12 0 "[ . 1 .]" 1
31 1 7 CYS HA 1 23 ILE QG 4.250 . 6.710 9.470 9.115 9.674 2.964 11 15 [**********+**-*] 1
32 1 8 SER H 1 9 LEU H 2.950 . 4.100 4.274 4.128 4.399 0.299 15 0 "[ . 1 .]" 1
33 1 8 SER HA 1 9 LEU H 2.880 . 3.960 2.162 2.060 2.273 . 0 0 "[ . 1 .]" 1
34 1 8 SER H 1 20 ASN H 2.850 . 3.900 17.765 17.579 17.924 14.024 3 15 [**+*******-****] 1
35 1 9 LEU HA 1 9 LEU QD 3.330 . 4.860 2.255 2.110 2.640 . 0 0 "[ . 1 .]" 1
36 1 9 LEU HA 1 9 LEU HG 3.060 . 4.320 3.150 2.577 3.384 . 0 0 "[ . 1 .]" 1
37 1 9 LEU H 1 9 LEU QB 3.040 . 4.280 2.563 2.287 2.784 . 0 0 "[ . 1 .]" 1
38 1 9 LEU HA 1 10 THR H 2.530 . 3.260 3.509 3.426 3.575 0.315 2 0 "[ . 1 .]" 1
39 1 9 LEU QB 1 10 THR H 3.140 . 4.480 2.952 2.702 3.244 . 0 0 "[ . 1 .]" 1
40 1 9 LEU H 1 10 THR H 3.340 . 4.880 2.810 2.559 3.144 . 0 0 "[ . 1 .]" 1
41 1 9 LEU QD 1 10 THR H 3.600 . 5.400 4.308 4.193 4.373 . 0 0 "[ . 1 .]" 1
42 1 9 LEU HG 1 10 THR H 2.880 . 3.960 4.558 4.296 4.849 0.889 1 12 "[+***.-***** * *]" 1
43 1 9 LEU HA 1 19 SER HA 2.680 . 3.560 15.346 15.145 15.764 12.204 8 15 [*-*****+*******] 1
44 1 9 LEU QB 1 19 SER HA 3.420 . 5.040 13.739 13.158 14.009 8.969 1 15 [+***-**********] 1
45 1 9 LEU H 1 19 SER HA 3.460 . 5.120 17.961 17.677 18.395 13.275 8 15 [*-*****+*******] 1
46 1 9 LEU QD 1 19 SER HA 3.710 . 5.620 11.322 10.966 11.625 6.005 8 15 [*-*****+*******] 1
47 1 9 LEU HG 1 19 SER HA 3.230 . 4.670 16.913 16.193 17.368 12.698 8 15 [-******+*******] 1
48 1 9 LEU HA 1 20 ASN H 2.900 . 4.000 13.859 13.604 14.129 10.129 3 15 [**+***-********] 1
49 1 9 LEU QB 1 20 ASN H 3.920 . 6.040 12.340 11.781 12.673 6.633 3 15 [**+*-**********] 1
50 1 9 LEU QB 1 121 PHE QD 4.630 . 7.460 7.583 7.036 7.936 0.476 1 0 "[ . 1 .]" 1
51 1 9 LEU QD 1 121 PHE QD 3.650 . 5.500 5.460 5.139 5.779 0.279 9 0 "[ . 1 .]" 1
52 1 10 THR HA 1 11 GLY H 2.590 . 3.380 2.072 1.983 2.279 . 0 0 "[ . 1 .]" 1
53 1 10 THR H 1 11 GLY H 3.230 . 4.670 4.422 4.356 4.445 . 0 0 "[ . 1 .]" 1
54 1 10 THR H 1 19 SER HA 2.830 . 3.870 17.813 17.662 18.095 14.225 8 15 [****-**+*******] 1
55 1 10 THR HA 1 118 TYR QD 4.680 . 7.560 19.805 19.369 20.243 12.683 14 15 [*************+-] 1
56 1 10 THR HA 1 120 ILE HA 2.560 . 3.330 15.938 15.406 16.194 12.864 14 15 [*************+-] 1
57 1 10 THR HA 1 121 PHE HA 3.270 . 4.740 13.664 12.895 13.914 9.174 4 15 [***+**********-] 1
58 1 10 THR HA 1 121 PHE QB 2.610 . 3.420 10.126 9.622 10.339 6.919 4 15 [***+**********-] 1
59 1 10 THR HA 1 121 PHE H 2.710 . 3.610 14.026 13.543 14.289 10.679 4 15 [***+**********-] 1
60 1 10 THR HA 1 121 PHE QD 4.200 . 6.600 10.888 10.274 11.091 4.491 13 15 [************+*-] 1
61 1 10 THR H 1 121 PHE H 3.400 . 5.000 13.367 12.957 13.601 8.601 8 15 [****-**+*******] 1
62 1 10 THR H 1 121 PHE QD 4.420 . 7.040 10.967 10.532 11.231 4.191 3 15 [**+***********-] 1
63 1 11 GLY H 1 12 LYS H 3.110 . 4.420 3.555 1.956 4.151 . 0 0 "[ . 1 .]" 1
64 1 11 GLY H 1 118 TYR HA 3.130 . 4.460 20.449 20.144 20.645 16.185 1 15 [+*********-****] 1
65 1 11 GLY H 1 119 ASN H 2.830 . 3.850 18.586 18.291 18.744 14.894 4 15 [***+******-****] 1
66 1 11 GLY H 1 121 PHE QB 3.250 . 4.710 9.655 9.157 9.961 5.251 4 15 [***+**********-] 1
67 1 11 GLY H 1 121 PHE H 3.080 . 4.360 13.721 13.153 14.097 9.737 4 15 [***+**********-] 1
68 1 11 GLY H 1 121 PHE QD 4.220 . 6.650 10.327 9.758 10.583 3.933 4 15 [***+**********-] 1
69 1 12 LYS HB2 1 13 TRP H 3.030 . 4.260 4.134 3.919 4.305 0.045 2 0 "[ . 1 .]" 1
70 1 12 LYS HB3 1 13 TRP H 3.030 . 4.260 3.427 2.620 3.885 . 0 0 "[ . 1 .]" 1
71 1 12 LYS H 1 13 TRP H 3.190 . 4.580 4.285 4.054 4.379 . 0 0 "[ . 1 .]" 1
72 1 12 LYS QB 1 13 TRP H 3.170 . 4.540 3.250 2.583 3.547 . 0 0 "[ . 1 .]" 1
73 1 12 LYS H 1 16 ASP H 2.940 . 4.080 13.997 13.805 14.361 10.281 10 15 [****-****+*****] 1
74 1 12 LYS H 1 18 GLY H 3.380 . 4.960 15.167 15.086 15.413 10.453 10 15 [-********+*****] 1
75 1 12 LYS HA 1 118 TYR HA 2.830 . 3.860 18.155 17.952 18.352 14.492 3 15 [**+*******-****] 1
76 1 12 LYS HA 1 118 TYR QD 4.290 . 6.790 17.229 16.874 17.465 10.675 14 15 [*************+-] 1
77 1 12 LYS H 1 118 TYR QD 4.160 . 6.520 18.321 17.875 18.676 12.156 12 15 [***********+**-] 1
78 1 12 LYS QB 1 118 TYR HA 3.740 . 5.680 17.896 17.435 18.192 12.512 14 15 [*************+-] 1
79 1 13 TRP H 1 13 TRP QB 3.250 . 4.710 2.751 2.667 2.843 . 0 0 "[ . 1 .]" 1
80 1 13 TRP H 1 14 THR H 2.940 . 4.080 4.433 4.388 4.466 0.386 5 0 "[ . 1 .]" 1
81 1 13 TRP QB 1 14 THR H 3.520 . 5.240 2.446 2.378 2.534 . 0 0 "[ . 1 .]" 1
82 1 13 TRP H 1 15 ASN H 3.300 . 4.800 7.100 6.991 7.275 2.475 13 15 [***********-+**] 1
83 1 13 TRP QB 1 117 GLY H 3.840 . 5.880 15.205 15.011 15.363 9.483 5 15 [****+***-******] 1
84 1 14 THR H 1 14 THR HB 3.090 . 4.380 3.297 3.095 3.479 . 0 0 "[ . 1 .]" 1
85 1 14 THR H 1 15 ASN H 2.660 . 3.520 4.375 4.335 4.409 0.889 13 15 [***********-+**] 1
86 1 14 THR H 1 15 ASN HA 3.670 . 5.550 4.715 4.584 4.769 . 0 0 "[ . 1 .]" 1
87 1 14 THR HB 1 15 ASN H 3.550 . 5.300 3.995 3.858 4.159 . 0 0 "[ . 1 .]" 1
88 1 14 THR H 1 16 ASP H 2.850 . 3.890 6.684 6.558 6.872 2.982 11 15 [****-*****+****] 1
89 1 14 THR HB 1 16 ASP H 3.330 . 4.860 7.541 7.311 7.754 2.894 11 15 [**********+**-*] 1
90 1 14 THR HB 1 37 ILE MG 4.160 . 6.520 8.183 7.843 8.633 2.113 10 15 [*-*******+*****] 1
91 1 15 ASN H 1 16 ASP H 2.590 . 3.380 4.495 4.448 4.582 1.202 11 15 [*******-**+****] 1
92 1 15 ASN H 1 36 TYR QB 3.960 . 6.120 9.422 9.144 9.553 3.433 2 15 [*+******-******] 1
93 1 15 ASN HA 1 36 TYR QB 3.730 . 5.660 10.702 10.322 11.053 5.393 8 15 [***-***+*******] 1
94 1 16 ASP H 1 16 ASP QB 2.810 . 3.810 2.405 1.993 2.558 . 0 0 "[ . 1 .]" 1
95 1 16 ASP HA 1 17 LEU H 2.610 . 3.420 3.513 3.472 3.560 0.140 10 0 "[ . 1 .]" 1
96 1 16 ASP QB 1 17 LEU H 2.960 . 4.130 3.141 2.791 3.686 . 0 0 "[ . 1 .]" 1
97 1 16 ASP H 1 17 LEU H 3.190 . 4.590 2.825 2.577 3.027 . 0 0 "[ . 1 .]" 1
98 1 16 ASP QB 1 17 LEU HA 3.890 . 5.980 4.294 4.074 4.705 . 0 0 "[ . 1 .]" 1
99 1 16 ASP HA 1 35 THR HA 2.730 . 3.650 18.068 17.802 18.302 14.652 8 15 [*******+-******] 1
100 1 16 ASP HA 1 35 THR MG 3.960 . 6.120 16.566 16.372 16.837 10.717 8 15 [*******+***-***] 1
101 1 16 ASP QB 1 35 THR HA 3.040 . 4.280 17.122 16.514 17.406 13.126 11 15 [****-*****+****] 1
102 1 16 ASP H 1 35 THR HA 3.240 . 4.680 16.627 16.363 16.879 12.199 15 15 [***-**********+] 1
103 1 16 ASP HA 1 36 TYR H 2.940 . 4.080 16.622 16.378 16.805 12.725 15 15 [********-*****+] 1
104 1 16 ASP HA 1 36 TYR QB 3.230 . 4.660 13.624 13.363 13.855 9.195 15 15 [*********-****+] 1
105 1 16 ASP H 1 36 TYR QB 3.650 . 5.500 12.187 11.864 12.486 6.986 15 15 [*********-****+] 1
106 1 16 ASP HA 1 37 ILE H 3.580 . 5.370 12.491 12.213 12.688 7.318 8 15 [*******+-******] 1
107 1 17 LEU H 1 17 LEU HB2 2.870 . 3.930 2.439 2.352 2.528 . 0 0 "[ . 1 .]" 1
108 1 17 LEU H 1 17 LEU HB3 2.870 . 3.930 2.448 2.377 2.528 . 0 0 "[ . 1 .]" 1
109 1 17 LEU H 1 17 LEU QB 3.050 . 4.300 2.176 2.107 2.225 . 0 0 "[ . 1 .]" 1
110 1 17 LEU HA 1 18 GLY H 2.480 . 3.160 3.354 3.318 3.385 0.225 15 0 "[ . 1 .]" 1
111 1 17 LEU HB2 1 18 GLY H 3.070 . 4.340 4.143 4.042 4.229 . 0 0 "[ . 1 .]" 1
112 1 17 LEU HB3 1 18 GLY H 3.070 . 4.340 3.210 3.079 3.292 . 0 0 "[ . 1 .]" 1
113 1 17 LEU H 1 18 GLY H 3.170 . 4.550 2.537 2.444 2.638 . 0 0 "[ . 1 .]" 1
114 1 17 LEU H 1 34 GLY H 3.090 . 4.380 19.210 18.906 19.466 15.086 6 15 [*****+**-******] 1
115 1 17 LEU H 1 35 THR HA 2.990 . 4.180 16.273 16.078 16.462 12.282 15 15 [***********-**+] 1
116 1 17 LEU H 1 36 TYR QB 4.050 . 6.300 11.577 11.362 11.848 5.548 15 15 [***-**********+] 1
117 1 17 LEU HA 1 121 PHE QD 4.200 . 6.600 8.945 8.701 9.219 2.619 15 15 [***-**********+] 1
118 1 19 SER HA 1 20 ASN H 2.580 . 3.360 2.209 2.150 2.324 . 0 0 "[ . 1 .]" 1
119 1 19 SER H 1 20 ASN H 3.110 . 4.420 4.630 4.600 4.668 0.248 11 0 "[ . 1 .]" 1
120 1 19 SER H 1 32 PHE H 2.750 . 3.700 21.063 20.596 21.327 17.627 6 15 [*****+****-****] 1
121 1 19 SER H 1 33 THR HA 2.940 . 4.080 18.382 18.074 18.647 14.567 8 15 [*******+**-****] 1
122 1 19 SER H 1 49 LEU QD 4.130 . 6.460 9.926 9.649 10.163 3.703 15 15 [*-************+] 1
123 1 20 ASN HA 1 21 MET H 2.500 . 3.190 2.199 2.068 2.275 . 0 0 "[ . 1 .]" 1
124 1 20 ASN H 1 21 MET H 3.190 . 4.580 4.479 4.437 4.536 . 0 0 "[ . 1 .]" 1
125 1 20 ASN HA 1 49 LEU QD 4.500 . 7.200 7.509 7.151 7.745 0.545 15 1 "[ . 1 +]" 1
126 1 21 MET H 1 22 THR H 3.050 . 4.300 4.428 4.382 4.481 0.181 9 0 "[ . 1 .]" 1
127 1 22 THR H 1 22 THR HB 3.050 . 4.300 2.758 2.677 2.842 . 0 0 "[ . 1 .]" 1
128 1 22 THR HA 1 23 ILE H 2.440 . 3.070 2.170 2.094 2.207 . 0 0 "[ . 1 .]" 1
129 1 22 THR HA 1 23 ILE QG 3.800 . 5.800 3.693 3.564 3.871 . 0 0 "[ . 1 .]" 1
130 1 22 THR HB 1 23 ILE HA 3.600 . 5.400 4.716 4.600 4.852 . 0 0 "[ . 1 .]" 1
131 1 22 THR HB 1 23 ILE H 3.030 . 4.260 4.063 3.956 4.117 . 0 0 "[ . 1 .]" 1
132 1 23 ILE HA 1 23 ILE QG 3.030 . 4.260 2.414 2.370 2.477 . 0 0 "[ . 1 .]" 1
133 1 23 ILE HA 1 23 ILE MG 3.030 . 4.260 2.491 2.399 2.541 . 0 0 "[ . 1 .]" 1
134 1 23 ILE H 1 23 ILE HB 2.850 . 3.900 2.601 2.500 2.684 . 0 0 "[ . 1 .]" 1
135 1 23 ILE H 1 23 ILE QG 3.400 . 5.000 3.074 3.033 3.104 . 0 0 "[ . 1 .]" 1
136 1 23 ILE H 1 23 ILE MG 3.400 . 5.000 3.843 3.791 3.883 . 0 0 "[ . 1 .]" 1
137 1 23 ILE H 1 23 ILE QG 3.550 . 5.300 2.957 2.923 2.983 . 0 0 "[ . 1 .]" 1
138 1 23 ILE HA 1 24 GLY H 2.520 . 3.230 2.099 2.075 2.126 . 0 0 "[ . 1 .]" 1
139 1 23 ILE HB 1 24 GLY H 3.050 . 4.300 4.311 4.273 4.351 0.051 5 0 "[ . 1 .]" 1
140 1 23 ILE H 1 24 GLY H 3.250 . 4.700 4.246 4.212 4.296 . 0 0 "[ . 1 .]" 1
141 1 23 ILE QG 1 26 VAL H 4.530 . 7.260 4.006 3.734 4.459 . 0 0 "[ . 1 .]" 1
142 1 23 ILE QG 1 27 ASN H 3.900 . 6.000 6.011 5.827 6.208 0.208 4 0 "[ . 1 .]" 1
143 1 23 ILE QG 1 28 SER H 4.220 . 6.650 9.299 9.049 9.507 2.857 13 15 [*********-**+**] 1
144 1 23 ILE HA 1 29 ARG HA 2.850 . 3.900 16.384 16.200 16.524 12.624 14 15 [********-****+*] 1
145 1 23 ILE HA 1 29 ARG QB 3.170 . 4.540 13.613 13.293 14.116 9.576 13 15 [**********-*+**] 1
146 1 23 ILE HA 1 29 ARG QD 4.230 . 6.660 14.923 13.731 15.522 8.862 13 15 [**********-*+**] 1
147 1 23 ILE H 1 29 ARG QB 3.560 . 5.320 15.670 15.381 16.129 10.809 13 15 [**********-*+**] 1
148 1 23 ILE QG 1 29 ARG QB 3.800 . 5.800 12.121 11.740 12.568 6.768 13 15 [*********-**+**] 1
149 1 23 ILE QG 1 29 ARG QD 4.700 . 7.600 13.048 12.025 13.574 5.974 7 15 [******+***-****] 1
150 1 23 ILE MG 1 29 ARG QB 3.800 . 5.800 9.698 9.491 10.088 4.288 13 15 [**********-*+**] 1
151 1 23 ILE MG 1 29 ARG QD 4.700 . 7.600 10.913 10.052 11.384 3.784 13 15 [**********-*+**] 1
152 1 23 ILE QG 1 29 ARG HA 3.930 . 6.060 11.097 10.966 11.234 5.174 14 15 [********-****+*] 1
153 1 23 ILE QG 1 29 ARG QB 3.900 . 6.000 9.328 9.127 9.698 3.698 13 15 [**********-*+**] 1
154 1 23 ILE QG 1 29 ARG QD 4.620 . 7.450 10.390 9.572 10.828 3.378 13 15 [**********-*+**] 1
155 1 23 ILE QG 1 53 LEU H 4.290 . 6.780 6.813 6.651 7.032 0.252 9 0 "[ . 1 .]" 1
156 1 23 ILE QG 1 53 LEU QB 4.930 . 8.060 7.078 6.886 7.326 . 0 0 "[ . 1 .]" 1
157 1 23 ILE QG 1 53 LEU HG 4.350 . 6.900 8.431 8.189 8.663 1.763 14 15 [***********-*+*] 1
158 1 24 GLY H 1 27 ASN H 3.120 . 4.450 8.682 8.537 8.806 4.356 8 15 [*******+**-****] 1
159 1 24 GLY H 1 28 SER H 2.850 . 3.890 12.656 12.412 12.787 8.897 13 15 [**********-*+**] 1
160 1 24 GLY H 1 29 ARG QB 3.500 . 5.200 12.996 12.716 13.423 8.223 5 15 [****+*****-****] 1
161 1 25 ALA HA 1 27 ASN H 3.170 . 4.540 6.079 5.980 6.198 1.658 3 15 [**+-***********] 1
162 1 26 VAL HA 1 26 VAL QG 3.170 . 4.540 2.320 2.132 2.490 . 0 0 "[ . 1 .]" 1
163 1 26 VAL H 1 26 VAL HB 2.980 . 4.160 2.835 2.524 3.742 . 0 0 "[ . 1 .]" 1
164 1 26 VAL H 1 26 VAL QG 3.340 . 4.880 2.098 1.903 2.425 . 0 0 "[ . 1 .]" 1
165 1 26 VAL H 1 27 ASN H 2.580 . 3.360 4.531 4.445 4.614 1.254 3 15 [**+-***********] 1
166 1 26 VAL HB 1 27 ASN H 3.360 . 4.920 4.070 3.070 4.276 . 0 0 "[ . 1 .]" 1
167 1 26 VAL QG 1 27 ASN H 3.230 . 4.670 2.659 2.440 3.333 . 0 0 "[ . 1 .]" 1
168 1 26 VAL HA 1 28 SER H 3.370 . 4.940 6.390 6.312 6.493 1.553 13 15 [*********-**+**] 1
169 1 26 VAL H 1 28 SER H 2.920 . 4.040 7.271 7.028 7.578 3.538 12 15 [*-*********+***] 1
170 1 26 VAL HB 1 28 SER H 3.330 . 4.860 7.295 6.172 7.976 3.116 6 15 [*-***+*********] 1
171 1 27 ASN H 1 28 SER H 2.690 . 3.580 4.676 4.635 4.720 1.140 2 15 [*+***-*********] 1
172 1 28 SER HA 1 28 SER HG 3.340 . 4.880 3.661 3.329 4.050 . 0 0 "[ . 1 .]" 1
173 1 28 SER HA 1 29 ARG H 2.500 . 3.200 3.541 3.504 3.618 0.418 12 0 "[ . 1 .]" 1
174 1 28 SER HB2 1 29 ARG H 2.650 . 3.500 3.661 2.961 4.175 0.675 4 6 "[ +.* 1*** -]" 1
175 1 28 SER HB3 1 29 ARG H 3.060 . 4.330 3.883 2.935 4.409 0.079 15 0 "[ . 1 .]" 1
176 1 28 SER HG 1 29 ARG QD 5.150 . 8.500 8.372 6.904 9.237 0.737 14 5 "[**- * 1 +.]" 1
177 1 28 SER HA 1 52 LEU HA 2.990 . 4.180 18.712 18.330 19.071 14.891 5 15 [-***+**********] 1
178 1 29 ARG HA 1 29 ARG QD 3.900 . 6.000 3.891 2.443 4.324 . 0 0 "[ . 1 .]" 1
179 1 29 ARG H 1 29 ARG QB 3.340 . 4.880 2.205 2.073 2.289 . 0 0 "[ . 1 .]" 1
180 1 29 ARG H 1 29 ARG QD 3.920 . 6.040 4.862 4.519 5.131 . 0 0 "[ . 1 .]" 1
181 1 29 ARG HA 1 30 GLY H 2.470 . 3.140 3.506 3.472 3.520 0.380 5 0 "[ . 1 .]" 1
182 1 29 ARG H 1 30 GLY H 3.110 . 4.420 2.453 2.310 2.523 . 0 0 "[ . 1 .]" 1
183 1 29 ARG QB 1 30 GLY H 3.060 . 4.320 2.873 2.657 3.138 . 0 0 "[ . 1 .]" 1
184 1 29 ARG QD 1 30 GLY H 3.980 . 6.160 5.068 4.512 5.479 . 0 0 "[ . 1 .]" 1
185 1 29 ARG QD 1 49 LEU QD 4.970 . 8.140 15.736 14.253 16.558 8.418 9 15 [********+*-****] 1
186 1 29 ARG HE 1 49 LEU QD 4.670 . 7.540 17.588 15.764 19.287 11.747 8 15 [******-+*******] 1
187 1 29 ARG QD 1 52 LEU HA 4.320 . 6.840 14.451 13.292 15.227 8.387 6 15 [*****+*******-*] 1
188 1 29 ARG H 1 53 LEU H 3.620 . 5.450 15.077 14.801 15.211 9.761 5 15 [-***+**********] 1
189 1 29 ARG QD 1 53 LEU QB 4.590 . 7.380 9.936 8.571 11.105 3.725 6 15 [*****+****-****] 1
190 1 29 ARG HE 1 53 LEU HA 4.190 . 6.580 12.240 9.757 14.644 8.064 6 15 [-****+*********] 1
191 1 29 ARG HE 1 53 LEU H 4.150 . 6.500 14.574 12.079 16.879 10.379 6 15 [-****+*********] 1
192 1 29 ARG HE 1 53 LEU QB 4.630 . 7.460 11.462 8.820 14.219 6.759 6 15 [-****+*********] 1
193 1 29 ARG HE 1 53 LEU HG 4.470 . 7.140 11.016 8.543 13.765 6.625 6 15 [-****+*********] 1
194 1 30 GLY H 1 31 GLU H 3.170 . 4.550 2.246 2.134 2.343 . 0 0 "[ . 1 .]" 1
195 1 31 GLU H 1 32 PHE H 3.150 . 4.500 4.563 4.483 4.604 0.104 12 0 "[ . 1 .]" 1
196 1 31 GLU H 1 49 LEU HG 3.170 . 4.540 19.711 19.445 20.338 15.798 11 15 [*********-+****] 1
197 1 31 GLU H 1 49 LEU QD 3.790 . 5.790 14.904 14.244 15.344 9.554 1 15 [+*********-****] 1
198 1 32 PHE HA 1 33 THR H 2.540 . 3.270 2.260 2.117 2.373 . 0 0 "[ . 1 .]" 1
199 1 32 PHE H 1 33 THR H 3.190 . 4.580 4.328 4.221 4.385 . 0 0 "[ . 1 .]" 1
200 1 32 PHE HA 1 46 ASN QD 3.710 . 5.620 24.001 22.505 25.932 20.312 13 15 [*********-**+**] 1
201 1 32 PHE HA 1 47 ILE H 3.650 . 5.500 25.432 24.815 25.699 20.199 5 15 [****+***-******] 1
202 1 32 PHE HA 1 49 LEU HG 3.650 . 5.500 14.667 14.298 15.266 9.766 11 15 [********-*+****] 1
203 1 32 PHE HA 1 49 LEU H 3.000 . 4.200 18.763 17.852 19.084 14.884 6 15 [-****+*********] 1
204 1 32 PHE HA 1 49 LEU QD 3.750 . 5.700 11.039 10.507 11.414 5.714 13 15 [**********-*+**] 1
205 1 32 PHE H 1 49 LEU HG 3.080 . 4.360 15.334 15.083 16.026 11.666 11 15 [*********-+****] 1
206 1 32 PHE H 1 49 LEU H 3.650 . 5.500 19.278 18.386 19.555 14.055 6 15 [-****+*********] 1
207 1 33 THR HA 1 34 GLY H 2.560 . 3.320 2.489 2.320 2.712 . 0 0 "[ . 1 .]" 1
208 1 33 THR H 1 34 GLY H 3.150 . 4.500 4.482 4.377 4.560 0.060 8 0 "[ . 1 .]" 1
209 1 33 THR H 1 46 ASN HA 3.370 . 4.940 24.872 23.916 25.492 20.552 5 15 [****+***-******] 1
210 1 33 THR H 1 46 ASN QD 3.850 . 5.900 22.207 20.590 24.060 18.160 13 15 [*********-**+**] 1
211 1 33 THR H 1 47 ILE H 3.010 . 4.220 23.512 22.829 23.837 19.617 12 15 [********-**+***] 1
212 1 33 THR H 1 48 THR HA 3.190 . 4.580 18.796 18.026 19.224 14.644 5 15 [-***+**********] 1
213 1 33 THR HA 1 49 LEU QD 4.060 . 6.320 8.273 7.582 8.835 2.515 13 15 [**********-*+**] 1
214 1 33 THR H 1 49 LEU H 3.320 . 4.840 16.648 15.753 16.960 12.120 5 15 [-***+**********] 1
215 1 33 THR H 1 49 LEU QD 4.100 . 6.400 9.403 9.069 9.699 3.299 1 15 [+*********-****] 1
216 1 34 GLY H 1 46 ASN QD 4.330 . 6.860 18.270 16.821 20.109 13.249 13 15 [*********-**+**] 1
217 1 35 THR HA 1 35 THR MG 3.260 . 4.720 2.270 2.167 2.366 . 0 0 "[ . 1 .]" 1
218 1 35 THR H 1 35 THR MG 3.370 . 4.940 3.279 3.121 3.509 . 0 0 "[ . 1 .]" 1
219 1 35 THR HB 1 37 ILE H 3.650 . 5.500 5.388 5.107 5.678 0.178 1 0 "[ . 1 .]" 1
220 1 35 THR MG 1 37 ILE HA 4.040 . 6.280 6.766 6.541 7.162 0.882 9 5 "[* * . - +1 *.]" 1
221 1 35 THR MG 1 37 ILE H 3.420 . 5.040 6.518 6.314 6.724 1.684 1 15 [+********-*****] 1
222 1 35 THR MG 1 44 PRO QD 3.560 . 5.330 15.528 15.178 15.937 10.607 15 15 [******-*******+] 1
223 1 35 THR MG 1 44 PRO QG 3.440 . 5.080 15.618 15.153 16.104 11.024 15 15 [******-*******+] 1
224 1 36 TYR H 1 36 TYR QB 3.210 . 4.630 2.284 2.220 2.343 . 0 0 "[ . 1 .]" 1
225 1 36 TYR HA 1 37 ILE QG 3.560 . 5.320 3.988 3.482 4.960 . 0 0 "[ . 1 .]" 1
226 1 36 TYR H 1 37 ILE H 2.890 . 3.980 4.471 4.362 4.524 0.544 8 8 "[ * .**+ 1 -***]" 1
227 1 36 TYR H 1 37 ILE MG 3.810 . 5.830 6.347 6.147 6.472 0.642 3 12 "[ *+***** * ***-]" 1
228 1 36 TYR QB 1 37 ILE H 3.310 . 4.830 3.840 3.760 3.910 . 0 0 "[ . 1 .]" 1
229 1 36 TYR QB 1 37 ILE MG 3.770 . 5.750 5.905 5.814 6.070 0.320 11 0 "[ . 1 .]" 1
230 1 36 TYR HA 1 44 PRO QD 3.440 . 5.080 15.208 14.778 15.595 10.515 15 15 [******-*******+] 1
231 1 36 TYR HA 1 44 PRO QG 3.360 . 4.920 15.347 14.849 15.861 10.941 15 15 [******-*******+] 1
232 1 37 ILE HA 1 37 ILE QG 2.860 . 3.920 2.351 2.262 2.413 . 0 0 "[ . 1 .]" 1
233 1 37 ILE HA 1 37 ILE MG 3.180 . 4.560 2.413 2.234 2.566 . 0 0 "[ . 1 .]" 1
234 1 37 ILE H 1 37 ILE QG 3.380 . 4.960 2.958 2.431 3.617 . 0 0 "[ . 1 .]" 1
235 1 37 ILE H 1 37 ILE MG 3.270 . 4.750 3.833 3.723 3.889 . 0 0 "[ . 1 .]" 1
236 1 37 ILE HA 1 38 THR H 2.460 . 3.120 2.101 2.037 2.206 . 0 0 "[ . 1 .]" 1
237 1 37 ILE HB 1 38 THR H 2.620 . 3.440 4.205 4.006 4.403 0.963 5 15 [**-*+**********] 1
238 1 37 ILE QG 1 38 THR H 3.480 . 5.170 4.076 3.914 4.224 . 0 0 "[ . 1 .]" 1
239 1 37 ILE MG 1 38 THR H 3.350 . 4.900 2.692 2.315 2.841 . 0 0 "[ . 1 .]" 1
240 1 37 ILE MG 1 38 THR HB 4.520 . 7.240 4.362 4.199 4.625 . 0 0 "[ . 1 .]" 1
241 1 37 ILE HA 1 44 PRO QD 3.250 . 4.700 12.021 11.618 12.429 7.729 5 15 [****+*-********] 1
242 1 38 THR H 1 38 THR HB 3.190 . 4.580 2.191 2.047 2.323 . 0 0 "[ . 1 .]" 1
243 1 38 THR HA 1 39 ALA H 2.600 . 3.400 2.199 2.125 2.241 . 0 0 "[ . 1 .]" 1
244 1 38 THR H 1 39 ALA H 3.170 . 4.540 4.526 4.406 4.594 0.054 5 0 "[ . 1 .]" 1
245 1 38 THR HB 1 39 ALA H 3.110 . 4.420 4.276 4.112 4.440 0.020 1 0 "[ . 1 .]" 1
246 1 38 THR HB 1 40 VAL HA 3.730 . 5.660 6.570 6.331 6.885 1.225 11 15 [**********+-***] 1
247 1 38 THR HB 1 40 VAL H 3.310 . 4.820 4.372 3.861 4.651 . 0 0 "[ . 1 .]" 1
248 1 38 THR H 1 41 ALA MB 2.960 . 4.120 6.309 6.088 6.602 2.482 12 15 [-**********+***] 1
249 1 38 THR HB 1 41 ALA HA 3.100 . 4.400 6.136 5.777 6.382 1.982 13 15 [********-***+**] 1
250 1 38 THR HB 1 41 ALA MB 3.810 . 4.800 4.603 4.311 4.955 0.155 11 0 "[ . 1 .]" 1
251 1 38 THR HB 1 44 PRO QD 3.410 . 5.020 8.634 8.137 9.241 4.221 15 15 [******-*******+] 1
252 1 39 ALA H 1 39 ALA MB 2.730 . 3.650 2.267 2.246 2.313 . 0 0 "[ . 1 .]" 1
253 1 39 ALA H 1 40 VAL H 2.900 . 4.000 2.428 2.365 2.531 . 0 0 "[ . 1 .]" 1
254 1 39 ALA MB 1 40 VAL H 3.140 . 4.480 3.158 2.984 3.406 . 0 0 "[ . 1 .]" 1
255 1 40 VAL H 1 40 VAL HB 3.070 . 4.340 3.821 3.782 3.861 . 0 0 "[ . 1 .]" 1
256 1 41 ALA MB 1 42 ASP HA 3.650 . 5.500 4.298 4.235 4.387 . 0 0 "[ . 1 .]" 1
257 1 41 ALA MB 1 43 ASN H 3.270 . 4.740 2.450 2.174 2.689 . 0 0 "[ . 1 .]" 1
258 1 41 ALA HA 1 44 PRO QD 3.030 . 4.260 4.587 4.450 4.742 0.482 3 0 "[ . 1 .]" 1
259 1 41 ALA HA 1 44 PRO QG 3.870 . 5.940 5.840 5.388 5.982 0.042 3 0 "[ . 1 .]" 1
260 1 41 ALA MB 1 44 PRO QD 3.210 . 4.620 2.584 2.404 2.801 . 0 0 "[ . 1 .]" 1
261 1 42 ASP H 1 43 ASN H 2.870 . 3.940 2.407 2.250 2.610 . 0 0 "[ . 1 .]" 1
262 1 43 ASN H 1 43 ASN QB 3.130 . 4.460 2.766 2.404 3.266 . 0 0 "[ . 1 .]" 1
263 1 43 ASN QB 1 70 ASN QB 2.920 . 4.040 13.145 12.563 14.101 10.061 4 15 [***+******-****] 1
264 1 43 ASN QB 1 70 ASN QD 4.310 . 6.820 12.479 11.375 13.316 6.496 14 15 [************-+*] 1
265 1 44 PRO HA 1 44 PRO QG 3.080 . 4.370 3.517 3.503 3.536 . 0 0 "[ . 1 .]" 1
266 1 44 PRO QG 1 45 GLY H 3.210 . 4.630 3.979 2.076 4.535 . 0 0 "[ . 1 .]" 1
267 1 44 PRO HA 1 70 ASN QD 4.130 . 6.460 14.368 13.105 15.388 8.928 12 15 [***********+-**] 1
268 1 44 PRO QD 1 70 ASN QD 5.120 . 8.430 14.605 13.598 15.539 7.109 15 15 [************-*+] 1
269 1 44 PRO QG 1 70 ASN QD 4.490 . 7.180 15.670 14.618 16.608 9.428 12 15 [***********+-**] 1
270 1 45 GLY H 1 70 ASN QB 3.460 . 4.340 15.421 14.753 16.503 12.163 7 15 [*****-+********] 1
271 1 45 GLY H 1 70 ASN QD 3.780 . 5.760 15.051 13.266 16.392 10.632 7 15 [******+*****-**] 1
272 1 46 ASN HA 1 46 ASN QD 3.460 . 5.130 3.151 2.208 4.041 . 0 0 "[ . 1 .]" 1
273 1 46 ASN HA 1 47 ILE HA 3.120 . 4.440 4.859 4.642 5.170 0.730 6 6 "[ ** *+* 1 -.]" 1
274 1 46 ASN HA 1 47 ILE H 2.500 . 3.200 3.060 2.602 3.523 0.323 6 0 "[ . 1 .]" 1
275 1 46 ASN QB 1 47 ILE H 3.600 . 5.400 3.713 2.827 4.000 . 0 0 "[ . 1 .]" 1
276 1 46 ASN QD 1 47 ILE HA 4.160 . 6.520 5.895 4.476 7.110 0.590 8 2 "[ . + 1 - .]" 1
277 1 46 ASN QD 1 47 ILE H 3.860 . 5.920 5.223 4.325 6.101 0.181 12 0 "[ . 1 .]" 1
278 1 47 ILE H 1 47 ILE HB 3.180 . 4.560 2.775 2.555 3.082 . 0 0 "[ . 1 .]" 1
279 1 47 ILE HA 1 48 THR HA 3.270 . 4.750 4.374 4.264 4.537 . 0 0 "[ . 1 .]" 1
280 1 47 ILE HA 1 48 THR HG1 3.180 . 4.560 6.475 5.590 6.618 2.058 9 15 [********+****-*] 1
281 1 47 ILE HA 1 48 THR HG1 3.330 . 4.860 3.379 3.273 3.461 . 0 0 "[ . 1 .]" 1
282 1 47 ILE H 1 48 THR HA 3.650 . 5.500 5.807 5.625 5.982 0.482 5 0 "[ . 1 .]" 1
283 1 47 ILE HB 1 68 THR H 4.010 . 6.220 19.279 18.977 19.631 13.411 8 15 [*******+-******] 1
284 1 48 THR HA 1 49 LEU H 2.480 . 3.150 2.380 2.143 2.522 . 0 0 "[ . 1 .]" 1
285 1 48 THR HA 1 49 LEU QD 4.310 . 6.830 4.962 3.697 5.333 . 0 0 "[ . 1 .]" 1
286 1 49 LEU HA 1 49 LEU QD 3.550 . 5.300 2.616 2.134 3.018 . 0 0 "[ . 1 .]" 1
287 1 49 LEU H 1 49 LEU HG 2.960 . 4.130 4.302 4.105 4.401 0.271 14 0 "[ . 1 .]" 1
288 1 49 LEU H 1 49 LEU QD 3.460 . 5.120 3.417 2.520 3.645 . 0 0 "[ . 1 .]" 1
289 1 49 LEU H 1 50 SER H 3.130 . 4.460 4.509 4.440 4.578 0.118 12 0 "[ . 1 .]" 1
290 1 49 LEU QD 1 50 SER H 4.020 . 5.880 3.296 2.152 3.844 . 0 0 "[ . 1 .]" 1
291 1 49 LEU QD 1 50 SER HA 3.960 . 6.120 4.090 3.279 4.980 . 0 0 "[ . 1 .]" 1
292 1 49 LEU HA 1 67 PHE H 3.020 . 4.240 15.604 15.256 15.867 11.627 8 15 [-******+*******] 1
293 1 50 SER HA 1 50 SER HG 2.830 . 3.850 3.648 2.818 4.026 0.176 7 0 "[ . 1 .]" 1
294 1 50 SER H 1 50 SER HB2 2.990 . 4.180 3.028 2.490 3.773 . 0 0 "[ . 1 .]" 1
295 1 50 SER H 1 50 SER HB3 2.990 . 4.180 3.322 2.686 3.752 . 0 0 "[ . 1 .]" 1
296 1 50 SER H 1 50 SER HG 3.380 . 4.960 3.677 2.670 4.594 . 0 0 "[ . 1 .]" 1
297 1 52 LEU HA 1 52 LEU QD 3.300 . 4.800 3.387 3.299 3.438 . 0 0 "[ . 1 .]" 1
298 1 52 LEU H 1 52 LEU QD 3.430 . 5.060 3.354 3.089 3.496 . 0 0 "[ . 1 .]" 1
299 1 52 LEU HA 1 53 LEU HG 3.320 . 4.840 6.486 6.338 6.640 1.800 5 15 [****+****-*****] 1
300 1 52 LEU H 1 53 LEU HA 3.340 . 4.880 5.141 5.053 5.247 0.367 10 0 "[ . 1 .]" 1
301 1 52 LEU H 1 53 LEU H 3.190 . 4.580 4.435 4.379 4.467 . 0 0 "[ . 1 .]" 1
302 1 52 LEU H 1 53 LEU HG 4.010 . 6.220 7.343 6.780 7.647 1.427 12 15 [**********-+***] 1
303 1 52 LEU QD 1 53 LEU H 4.090 . 6.380 2.960 2.834 3.173 . 0 0 "[ . 1 .]" 1
304 1 53 LEU H 1 53 LEU QB 3.440 . 5.080 2.707 2.652 2.749 . 0 0 "[ . 1 .]" 1
305 1 53 LEU H 1 53 LEU HG 3.330 . 4.860 4.903 4.748 5.003 0.143 14 0 "[ . 1 .]" 1
306 1 53 LEU QB 1 54 GLY H 3.120 . 4.450 3.427 2.684 3.681 . 0 0 "[ . 1 .]" 1
307 1 53 LEU HG 1 54 GLY H 3.920 . 6.040 3.597 2.988 4.260 . 0 0 "[ . 1 .]" 1
308 1 53 LEU HA 1 62 GLN QB 3.260 . 4.720 19.117 18.069 19.475 14.755 9 15 [***-****+******] 1
309 1 53 LEU QB 1 62 GLN HA 3.440 . 5.080 19.430 18.870 19.771 14.691 6 15 [***-*+*********] 1
310 1 53 LEU QB 1 62 GLN QB 3.830 . 5.870 18.729 18.026 19.137 13.267 6 15 [***-*+*********] 1
311 1 53 LEU HG 1 62 GLN QB 4.280 . 6.760 21.242 20.197 22.238 15.478 3 15 [**+-***********] 1
312 1 54 GLY H 1 60 ALA MB 3.650 . 5.500 15.433 15.009 15.732 10.232 3 15 [**+***********-] 1
313 1 55 ILE HA 1 55 ILE QG 3.080 . 4.370 2.206 2.164 2.255 . 0 0 "[ . 1 .]" 1
314 1 56 GLN HA 1 56 GLN QB 2.630 . 3.460 2.166 2.127 2.208 . 0 0 "[ . 1 .]" 1
315 1 56 GLN HA 1 56 GLN QG 2.980 . 4.160 3.382 3.051 3.479 . 0 0 "[ . 1 .]" 1
316 1 57 HIS H 1 57 HIS QB 3.260 . 4.720 2.283 2.181 2.639 . 0 0 "[ . 1 .]" 1
317 1 57 HIS QB 1 59 ARG H 3.280 . 4.760 2.796 2.469 3.056 . 0 0 "[ . 1 .]" 1
318 1 57 HIS QB 1 60 ALA HA 3.190 . 4.590 6.121 5.913 6.292 1.702 6 15 [*****+*****-***] 1
319 1 57 HIS QB 1 60 ALA MB 3.480 . 4.080 3.900 3.617 3.952 . 0 0 "[ . 1 .]" 1
320 1 57 HIS QB 1 61 SER H 3.920 . 6.040 7.127 6.920 7.334 1.294 11 15 [**********+***-] 1
321 1 59 ARG HA 1 59 ARG HG2 2.850 . 3.890 3.315 2.430 3.853 . 0 0 "[ . 1 .]" 1
322 1 59 ARG HA 1 59 ARG HG3 2.850 . 3.890 3.007 2.284 3.813 . 0 0 "[ . 1 .]" 1
323 1 59 ARG HA 1 59 ARG QG 3.030 . 4.260 2.612 2.260 3.318 . 0 0 "[ . 1 .]" 1
324 1 59 ARG H 1 59 ARG HB2 2.810 . 3.830 2.625 2.121 3.657 . 0 0 "[ . 1 .]" 1
325 1 59 ARG H 1 59 ARG HB3 2.810 . 3.830 3.073 2.424 3.672 . 0 0 "[ . 1 .]" 1
326 1 59 ARG H 1 59 ARG QB 3.010 . 4.220 2.347 2.102 2.660 . 0 0 "[ . 1 .]" 1
327 1 59 ARG HA 1 60 ALA HA 3.330 . 4.870 4.721 4.634 4.794 . 0 0 "[ . 1 .]" 1
328 1 59 ARG QG 1 83 GLN H 3.190 . 4.590 14.161 11.701 15.037 10.447 10 15 [*-*******+*****] 1
329 1 60 ALA HA 1 61 SER H 2.560 . 3.330 2.468 2.358 2.626 . 0 0 "[ . 1 .]" 1
330 1 60 ALA MB 1 61 SER H 2.930 . 3.980 2.311 2.154 2.505 . 0 0 "[ . 1 .]" 1
331 1 61 SER HA 1 62 GLN H 2.680 . 3.560 3.551 3.485 3.610 0.050 4 0 "[ . 1 .]" 1
332 1 61 SER HA 1 80 PHE HA 2.880 . 3.960 20.473 19.848 21.103 17.143 11 15 [*******-**+****] 1
333 1 61 SER HA 1 80 PHE H 3.270 . 4.740 20.725 20.035 21.566 16.826 11 15 [*******-**+****] 1
334 1 61 SER HA 1 80 PHE QB 3.770 . 5.740 16.995 16.349 17.785 12.045 11 15 [*******-**+****] 1
335 1 61 SER H 1 80 PHE QB 4.010 . 6.220 17.260 17.032 17.510 11.290 11 15 [*******-**+****] 1
336 1 61 SER HA 1 81 THR H 3.070 . 4.340 18.792 18.185 19.279 14.939 4 15 [***+***-*******] 1
337 1 62 GLN HA 1 79 VAL H 3.410 . 5.020 21.283 20.783 21.659 16.639 11 15 [*********-+****] 1
338 1 62 GLN H 1 79 VAL H 2.830 . 3.850 23.066 22.671 23.315 19.465 11 15 [*********-+****] 1
339 1 62 GLN H 1 80 PHE HA 3.030 . 4.260 18.470 18.283 18.620 14.360 11 15 [**********+-***] 1
340 1 62 GLN QE 1 81 THR HB 4.540 . 7.270 15.070 12.999 16.139 8.869 7 15 [-*****+********] 1
341 1 62 GLN QE 1 91 LYS HA 4.190 . 6.580 9.698 8.503 11.188 4.608 2 15 [*+************-] 1
342 1 62 GLN QE 1 91 LYS QB 4.380 . 6.960 8.749 7.923 10.248 3.288 2 15 [*+************-] 1
343 1 62 GLN QE 1 91 LYS QD 4.640 . 7.480 11.031 10.147 12.309 4.829 2 15 [*+*-***********] 1
344 1 62 GLN QE 1 93 VAL QG 4.290 . 6.780 6.356 5.798 7.768 0.988 2 1 "[ + . 1 .]" 1
345 1 64 THR H 1 77 THR H 2.880 . 3.960 23.776 23.668 23.919 19.959 7 15 [***-**+********] 1
346 1 65 PHE HA 1 66 GLY H 2.590 . 3.380 2.242 2.185 2.342 . 0 0 "[ . 1 .]" 1
347 1 65 PHE H 1 66 GLY H 3.190 . 4.580 4.324 4.256 4.399 . 0 0 "[ . 1 .]" 1
348 1 65 PHE HA 1 76 SER HA 2.960 . 4.120 21.478 21.375 21.623 17.503 10 15 [-********+*****] 1
349 1 65 PHE HA 1 76 SER HG 4.020 . 6.240 22.202 20.364 23.298 17.058 13 15 [*******-****+**] 1
350 1 65 PHE HA 1 77 THR H 3.030 . 4.260 19.248 19.132 19.396 15.136 13 15 [-***********+**] 1
351 1 66 GLY H 1 75 GLU H 2.890 . 3.980 24.116 23.984 24.301 20.321 12 15 [***********+*-*] 1
352 1 66 GLY H 1 76 SER HA 3.220 . 4.640 19.458 19.340 19.613 14.973 11 15 [****-*****+****] 1
353 1 67 PHE H 1 67 PHE QB 2.810 . 3.820 3.302 3.265 3.357 . 0 0 "[ . 1 .]" 1
354 1 67 PHE HA 1 68 THR H 2.400 . 3.000 2.274 2.233 2.355 . 0 0 "[ . 1 .]" 1
355 1 67 PHE QB 1 68 THR H 3.200 . 4.600 2.598 2.455 2.708 . 0 0 "[ . 1 .]" 1
356 1 67 PHE HA 1 74 SER HA 3.010 . 4.220 19.993 19.795 20.222 16.002 12 15 [********-**+***] 1
357 1 67 PHE HA 1 75 GLU H 3.280 . 4.760 19.291 19.122 19.478 14.718 12 15 [********-**+***] 1
358 1 68 THR H 1 69 VAL H 3.210 . 4.620 4.555 4.534 4.577 . 0 0 "[ . 1 .]" 1
359 1 68 THR HB 1 69 VAL H 3.460 . 5.130 3.596 3.500 3.665 . 0 0 "[ . 1 .]" 1
360 1 68 THR HB 1 71 TRP HA 4.000 . 6.200 9.334 9.211 9.499 3.299 15 15 [***-**********+] 1
361 1 68 THR HB 1 71 TRP QB 3.760 . 5.720 9.419 9.243 9.611 3.891 9 15 [******-*+******] 1
362 1 68 THR HB 1 71 TRP H 3.080 . 4.360 7.688 7.493 7.859 3.499 9 15 [***-****+******] 1
363 1 68 THR H 1 73 PHE QB 3.650 . 5.500 16.299 15.973 16.649 11.149 14 15 [********-****+*] 1
364 1 68 THR H 1 73 PHE H 3.190 . 4.580 15.432 15.142 15.805 11.225 14 15 [********-****+*] 1
365 1 68 THR HB 1 73 PHE H 3.620 . 5.440 13.433 13.130 13.930 8.490 14 15 [*******-*****+*] 1
366 1 68 THR H 1 74 SER HA 2.890 . 3.970 17.955 17.782 18.095 14.125 12 15 [********-**+***] 1
367 1 68 THR H 1 75 GLU H 3.440 . 5.080 17.214 17.050 17.428 12.348 13 15 [********-***+**] 1
368 1 69 VAL H 1 70 ASN H 2.890 . 3.970 4.246 4.183 4.304 0.334 14 0 "[ . 1 .]" 1
369 1 69 VAL H 1 71 TRP H 2.940 . 4.080 5.928 5.773 6.106 2.026 11 15 [*********-+****] 1
370 1 70 ASN HA 1 70 ASN QD 3.880 . 5.960 3.165 1.908 4.033 . 0 0 "[ . 1 .]" 1
371 1 70 ASN H 1 70 ASN QB 2.940 . 3.760 2.302 2.177 2.499 . 0 0 "[ . 1 .]" 1
372 1 70 ASN H 1 71 TRP H 2.480 . 3.150 4.423 4.321 4.481 1.331 14 15 [*******-*****+*] 1
373 1 70 ASN QD 1 71 TRP HA 4.270 . 6.740 5.327 4.458 5.943 . 0 0 "[ . 1 .]" 1
374 1 70 ASN QD 1 71 TRP QB 4.060 . 6.320 5.373 4.170 6.271 . 0 0 "[ . 1 .]" 1
375 1 71 TRP H 1 71 TRP QB 2.920 . 4.000 2.527 2.461 2.583 . 0 0 "[ . 1 .]" 1
376 1 71 TRP HA 1 72 LYS QB 3.250 . 4.710 4.279 3.987 4.551 . 0 0 "[ . 1 .]" 1
377 1 71 TRP HA 1 72 LYS HG2 3.650 . 5.500 3.657 3.231 4.137 . 0 0 "[ . 1 .]" 1
378 1 71 TRP HA 1 72 LYS HG3 3.130 . 4.460 4.221 3.472 5.363 0.903 4 1 "[ +. 1 .]" 1
379 1 72 LYS HA 1 72 LYS HG2 2.540 . 3.280 2.795 2.266 3.289 0.009 4 0 "[ . 1 .]" 1
380 1 72 LYS HA 1 72 LYS HG3 2.540 . 3.270 3.712 3.386 3.856 0.586 1 6 "[+ *.-* 1 * *.]" 1
381 1 72 LYS QB 1 100 LEU QB 3.060 . 4.320 12.209 11.869 12.625 8.305 9 15 [*******-+******] 1
382 1 73 PHE H 1 73 PHE QB 2.890 . 3.980 2.648 2.582 2.761 . 0 0 "[ . 1 .]" 1
383 1 73 PHE QB 1 74 SER H 2.890 . 3.970 3.755 3.679 3.847 . 0 0 "[ . 1 .]" 1
384 1 73 PHE H 1 74 SER H 3.170 . 4.540 2.460 2.288 2.570 . 0 0 "[ . 1 .]" 1
385 1 73 PHE QB 1 74 SER HA 3.520 . 5.250 4.971 4.870 5.069 . 0 0 "[ . 1 .]" 1
386 1 74 SER HA 1 75 GLU H 2.590 . 3.380 2.309 2.254 2.369 . 0 0 "[ . 1 .]" 1
387 1 74 SER HA 1 75 GLU QG 3.560 . 5.320 4.140 3.846 4.255 . 0 0 "[ . 1 .]" 1
388 1 74 SER H 1 75 GLU H 3.230 . 4.670 4.151 3.953 4.302 . 0 0 "[ . 1 .]" 1
389 1 74 SER H 1 75 GLU QG 3.910 . 6.020 4.928 4.675 5.130 . 0 0 "[ . 1 .]" 1
390 1 74 SER H 1 98 TRP H 3.120 . 4.450 18.578 18.325 18.787 14.337 15 15 [**-***********+] 1
391 1 75 GLU HA 1 75 GLU QG 3.130 . 4.460 2.207 2.117 2.308 . 0 0 "[ . 1 .]" 1
392 1 75 GLU H 1 75 GLU QG 3.290 . 4.790 2.608 2.258 2.826 . 0 0 "[ . 1 .]" 1
393 1 75 GLU HA 1 76 SER HG 4.050 . 6.300 4.575 3.759 6.565 0.265 15 0 "[ . 1 .]" 1
394 1 75 GLU H 1 76 SER H 3.210 . 4.620 4.466 4.375 4.620 . 0 0 "[ . 1 .]" 1
395 1 75 GLU QG 1 76 SER H 3.120 . 4.450 4.047 3.961 4.214 . 0 0 "[ . 1 .]" 1
396 1 75 GLU QG 1 95 LYS HA 4.060 . 6.320 24.764 24.586 24.965 18.645 1 15 [+*************-] 1
397 1 75 GLU QG 1 95 LYS QZ 3.440 . 5.080 24.094 22.999 24.493 19.413 5 15 [****+*-********] 1
398 1 75 GLU QG 1 96 THR HA 4.160 . 6.520 22.492 22.294 22.677 16.157 10 15 [*********+-****] 1
399 1 75 GLU QG 1 96 THR H 3.360 . 4.920 23.004 22.792 23.211 18.291 1 15 [+*********-****] 1
400 1 75 GLU HA 1 97 MET HA 3.000 . 4.210 20.229 19.999 20.481 16.271 10 15 [***-*****+*****] 1
401 1 75 GLU HA 1 97 MET QB 3.930 . 6.060 18.238 18.058 18.443 12.383 10 15 [******-**+*****] 1
402 1 75 GLU QG 1 97 MET HA 3.080 . 4.360 20.317 20.097 20.575 16.215 10 15 [*********+-****] 1
403 1 75 GLU QG 1 97 MET H 3.710 . 5.630 20.795 20.596 21.090 15.460 10 15 [*********+-****] 1
404 1 75 GLU QG 1 97 MET QB 3.530 . 5.260 18.256 18.069 18.482 13.222 10 15 [*********+-****] 1
405 1 75 GLU HA 1 98 TRP H 3.270 . 4.740 18.308 18.120 18.537 13.797 10 15 [**-******+*****] 1
406 1 75 GLU QG 1 98 TRP H 3.920 . 6.040 18.586 18.381 18.825 12.785 10 15 [*********+-****] 1
407 1 76 SER H 1 76 SER HG 3.730 . 5.660 3.426 2.542 4.924 . 0 0 "[ . 1 .]" 1
408 1 76 SER HA 1 77 THR H 2.690 . 3.570 2.339 2.244 2.384 . 0 0 "[ . 1 .]" 1
409 1 76 SER HG 1 77 THR HA 4.000 . 6.200 5.525 4.864 6.302 0.102 13 0 "[ . 1 .]" 1
410 1 76 SER HG 1 95 LYS HA 4.250 . 6.710 22.104 19.840 23.430 16.720 6 15 [*****+*-*******] 1
411 1 76 SER H 1 96 THR H 3.000 . 4.200 21.263 21.094 21.417 17.217 14 15 [*-***********+*] 1
412 1 76 SER HG 1 96 THR H 3.900 . 6.000 20.082 17.742 21.395 15.395 6 15 [*****+*-*******] 1
413 1 77 THR HA 1 93 VAL HB 3.190 . 4.590 23.169 22.992 23.437 18.847 8 15 [****-**+*******] 1
414 1 78 THR HA 1 78 THR MG 3.330 . 4.860 2.041 1.979 2.240 . 0 0 "[ . 1 .]" 1
415 1 78 THR H 1 78 THR MG 3.410 . 5.020 3.614 3.327 3.687 . 0 0 "[ . 1 .]" 1
416 1 78 THR HA 1 79 VAL H 2.620 . 3.440 2.168 2.086 2.411 . 0 0 "[ . 1 .]" 1
417 1 78 THR HA 1 79 VAL HA 3.550 . 5.300 4.426 4.388 4.507 . 0 0 "[ . 1 .]" 1
418 1 78 THR HB 1 79 VAL H 3.140 . 4.480 3.716 2.203 4.043 . 0 0 "[ . 1 .]" 1
419 1 78 THR H 1 79 VAL H 3.040 . 4.280 4.284 4.208 4.412 0.132 10 0 "[ . 1 .]" 1
420 1 78 THR MG 1 79 VAL H 3.490 . 5.180 2.700 2.529 3.383 . 0 0 "[ . 1 .]" 1
421 1 78 THR H 1 93 VAL HA 3.070 . 4.340 21.302 21.021 21.603 17.263 6 15 [****-+*********] 1
422 1 78 THR H 1 93 VAL HB 3.000 . 4.200 21.387 21.227 21.518 17.318 6 15 [****-+*********] 1
423 1 79 VAL H 1 80 PHE H 3.170 . 4.540 4.504 4.233 4.554 0.014 14 0 "[ . 1 .]" 1
424 1 79 VAL H 1 93 VAL HB 2.900 . 4.000 19.089 18.446 19.324 15.324 7 15 [******+**-*****] 1
425 1 79 VAL H 1 93 VAL QG 3.190 . 4.590 15.034 14.497 15.487 10.897 7 15 [******+*******-] 1
426 1 79 VAL HA 1 93 VAL HA 3.300 . 4.800 18.177 17.927 18.458 13.658 7 15 [******+*******-] 1
427 1 79 VAL HA 1 93 VAL QG 3.830 . 5.870 14.322 13.756 14.715 8.845 7 15 [******+*******-] 1
428 1 79 VAL HA 1 94 LEU H 3.440 . 5.090 16.033 15.813 16.286 11.196 7 15 [******+*******-] 1
429 1 80 PHE H 1 80 PHE QB 2.920 . 4.040 2.504 2.390 2.638 . 0 0 "[ . 1 .]" 1
430 1 80 PHE H 1 92 GLU H 3.130 . 4.460 20.919 20.673 21.193 16.733 6 15 [*****+*-*******] 1
431 1 80 PHE H 1 93 VAL HA 3.020 . 4.240 16.196 15.924 16.446 12.206 7 15 [*-****+********] 1
432 1 80 PHE H 1 93 VAL QG 3.320 . 4.840 12.800 12.278 13.184 8.344 6 15 [*****+********-] 1
433 1 81 THR H 1 81 THR HB 3.120 . 4.450 3.632 3.447 3.759 . 0 0 "[ . 1 .]" 1
434 1 81 THR HA 1 82 GLY H 2.550 . 3.300 2.180 2.119 2.228 . 0 0 "[ . 1 .]" 1
435 1 81 THR HB 1 82 GLY H 3.530 . 5.260 3.656 3.460 3.910 . 0 0 "[ . 1 .]" 1
436 1 81 THR HA 1 91 LYS HA 2.950 . 4.100 20.353 20.184 20.539 16.439 5 15 [***-+**********] 1
437 1 81 THR HA 1 91 LYS QD 3.650 . 5.500 19.860 19.259 20.154 14.654 5 15 [***-+**********] 1
438 1 81 THR H 1 91 LYS QD 4.460 . 7.120 19.734 18.984 20.152 13.032 13 15 [***-********+**] 1
439 1 81 THR HB 1 91 LYS QD 3.970 . 6.140 20.710 20.048 21.059 14.919 13 15 [***-********+**] 1
440 1 81 THR HA 1 92 GLU H 3.150 . 4.500 18.227 17.984 18.428 13.928 10 15 [*********+****-] 1
441 1 82 GLY H 1 83 GLN H 3.190 . 4.580 4.457 4.332 4.506 . 0 0 "[ . 1 .]" 1
442 1 82 GLY H 1 90 GLY H 2.770 . 3.740 20.000 19.897 20.131 16.391 7 15 [****-*+********] 1
443 1 82 GLY H 1 91 LYS QD 4.020 . 6.240 18.165 17.508 18.467 12.227 13 15 [***-********+**] 1
444 1 82 GLY H 1 92 GLU H 2.980 . 4.170 16.272 16.029 16.468 12.298 1 15 [+**-***********] 1
445 1 83 GLN HA 1 83 GLN QG 2.900 . 4.000 2.328 2.179 2.539 . 0 0 "[ . 1 .]" 1
446 1 83 GLN H 1 83 GLN QG 3.470 . 5.140 4.062 3.988 4.212 . 0 0 "[ . 1 .]" 1
447 1 83 GLN HA 1 84 CYS H 2.440 . 3.080 2.121 2.024 2.193 . 0 0 "[ . 1 .]" 1
448 1 83 GLN H 1 84 CYS H 3.090 . 4.380 4.453 4.327 4.553 0.173 13 0 "[ . 1 .]" 1
449 1 83 GLN QG 1 84 CYS HA 3.670 . 5.550 4.311 3.912 5.071 . 0 0 "[ . 1 .]" 1
450 1 83 GLN QG 1 84 CYS H 3.230 . 4.660 2.560 2.202 3.096 . 0 0 "[ . 1 .]" 1
451 1 83 GLN QG 1 87 ASP H 3.250 . 4.710 9.537 8.980 10.092 5.382 12 15 [***-*******+***] 1
452 1 83 GLN HA 1 88 ARG QB 3.460 . 5.120 15.428 14.990 15.660 10.540 9 15 [****-***+******] 1
453 1 83 GLN QG 1 88 ARG H 3.400 . 5.000 11.652 11.243 12.299 7.299 14 15 [**-**********+*] 1
454 1 83 GLN HA 1 89 ASN HA 2.670 . 3.540 19.112 18.844 19.275 15.735 7 15 [******+-*******] 1
455 1 83 GLN QG 1 89 ASN HA 3.370 . 4.940 15.599 15.163 16.122 11.182 5 15 [***-+**********] 1
456 1 83 GLN HA 1 90 GLY H 2.890 . 3.970 15.833 15.604 15.983 12.013 15 15 [*******-******+] 1
457 1 83 GLN QG 1 90 GLY H 3.920 . 6.040 12.746 12.290 13.259 7.219 5 15 [-***+**********] 1
458 1 84 CYS H 1 84 CYS HB2 2.790 . 3.780 2.845 2.211 3.699 . 0 0 "[ . 1 .]" 1
459 1 84 CYS H 1 84 CYS HB3 2.790 . 3.780 2.550 2.343 2.925 . 0 0 "[ . 1 .]" 1
460 1 84 CYS H 1 84 CYS QB 3.000 . 4.200 2.350 2.092 2.810 . 0 0 "[ . 1 .]" 1
461 1 84 CYS HA 1 85 PHE HA 3.130 . 4.460 4.490 4.428 4.596 0.136 1 0 "[ . 1 .]" 1
462 1 84 CYS HA 1 85 PHE QB 3.750 . 5.700 4.800 4.680 4.920 . 0 0 "[ . 1 .]" 1
463 1 84 CYS QB 1 85 PHE H 3.550 . 5.300 3.698 3.210 3.983 . 0 0 "[ . 1 .]" 1
464 1 84 CYS QB 1 85 PHE QD 4.420 . 7.040 5.160 4.921 5.345 . 0 0 "[ . 1 .]" 1
465 1 84 CYS H 1 87 ASP H 3.060 . 4.320 10.485 10.303 10.664 6.344 2 15 [*+*****-*******] 1
466 1 84 CYS HA 1 88 ARG QB 3.610 . 5.420 12.972 12.727 13.228 7.808 13 15 [*****-******+**] 1
467 1 84 CYS H 1 88 ARG QB 2.960 . 4.120 14.392 13.985 14.556 10.436 1 15 [+***-**********] 1
468 1 84 CYS H 1 88 ARG H 2.920 . 4.040 13.747 13.570 13.903 9.863 1 15 [+***-**********] 1
469 1 84 CYS QB 1 88 ARG QB 3.370 . 4.940 12.519 12.264 12.854 7.914 11 15 [*******-**+****] 1
470 1 84 CYS QB 1 88 ARG H 3.420 . 5.040 11.875 11.465 12.121 7.081 11 15 [*******-**+****] 1
471 1 84 CYS H 1 89 ASN HA 3.070 . 4.340 17.535 17.309 17.670 13.330 7 15 [******+-*******] 1
472 1 85 PHE HA 1 85 PHE QD 3.480 . 5.160 3.069 2.845 3.240 . 0 0 "[ . 1 .]" 1
473 1 85 PHE HA 1 86 ILE HA 3.430 . 5.060 4.399 4.305 4.489 . 0 0 "[ . 1 .]" 1
474 1 85 PHE QB 1 86 ILE HA 3.510 . 5.220 3.912 3.848 4.009 . 0 0 "[ . 1 .]" 1
475 1 85 PHE QB 1 86 ILE H 3.250 . 4.710 2.189 2.090 2.301 . 0 0 "[ . 1 .]" 1
476 1 85 PHE QD 1 86 ILE H 3.490 . 5.180 3.922 3.714 4.063 . 0 0 "[ . 1 .]" 1
477 1 85 PHE QB 1 87 ASP H 3.750 . 5.700 4.295 4.182 4.442 . 0 0 "[ . 1 .]" 1
478 1 87 ASP H 1 88 ARG QG 3.550 . 5.300 6.658 5.868 7.532 2.232 10 15 [*********+-****] 1
479 1 88 ARG QB 1 88 ARG HE 3.120 . 4.290 3.494 2.104 4.354 0.064 12 0 "[ . 1 .]" 1
480 1 88 ARG H 1 88 ARG QG 2.980 . 4.160 3.154 2.236 4.100 . 0 0 "[ . 1 .]" 1
481 1 89 ASN H 1 89 ASN QB 3.000 . 4.210 2.183 2.047 2.310 . 0 0 "[ . 1 .]" 1
482 1 89 ASN HA 1 90 GLY H 2.450 . 3.100 3.438 3.361 3.533 0.433 10 0 "[ . 1 .]" 1
483 1 89 ASN HB2 1 90 GLY H 3.110 . 4.420 4.108 3.873 4.300 . 0 0 "[ . 1 .]" 1
484 1 89 ASN HB3 1 90 GLY H 3.110 . 4.420 3.333 2.933 3.630 . 0 0 "[ . 1 .]" 1
485 1 89 ASN H 1 90 GLY H 3.110 . 4.420 2.582 2.329 2.808 . 0 0 "[ . 1 .]" 1
486 1 89 ASN QB 1 90 GLY H 3.270 . 4.750 3.191 2.850 3.413 . 0 0 "[ . 1 .]" 1
487 1 89 ASN QB 1 119 ASN HA 4.010 . 6.220 18.316 18.027 18.938 12.718 7 15 [******+****-***] 1
488 1 89 ASN QB 1 120 ILE H 3.820 . 5.840 16.623 16.307 17.197 11.357 7 15 [******+****-***] 1
489 1 90 GLY H 1 91 LYS QD 4.330 . 6.860 6.025 5.754 6.452 . 0 0 "[ . 1 .]" 1
490 1 91 LYS HA 1 91 LYS QD 3.660 . 5.460 3.599 2.201 4.294 . 0 0 "[ . 1 .]" 1
491 1 91 LYS QB 1 91 LYS QD 3.280 . 4.760 2.478 2.174 2.890 . 0 0 "[ . 1 .]" 1
492 1 91 LYS H 1 91 LYS QD 3.730 . 5.660 4.612 3.947 5.005 . 0 0 "[ . 1 .]" 1
493 1 91 LYS HA 1 92 GLU H 2.620 . 3.440 2.370 2.245 2.577 . 0 0 "[ . 1 .]" 1
494 1 91 LYS H 1 92 GLU H 3.250 . 4.710 4.516 4.375 4.696 . 0 0 "[ . 1 .]" 1
495 1 91 LYS QD 1 92 GLU H 4.160 . 6.450 4.543 3.504 5.261 . 0 0 "[ . 1 .]" 1
496 1 91 LYS QD 1 93 VAL QG 4.300 . 6.800 5.093 4.563 6.089 . 0 0 "[ . 1 .]" 1
497 1 91 LYS QB 1 118 TYR HA 3.230 . 4.660 16.991 16.790 17.129 12.469 6 15 [*-***+*********] 1
498 1 91 LYS QB 1 118 TYR H 2.940 . 4.080 18.544 18.356 18.701 14.621 1 15 [+-*************] 1
499 1 91 LYS QB 1 118 TYR QD 4.320 . 6.840 14.014 13.702 14.298 7.458 14 15 [*****-*******+*] 1
500 1 91 LYS H 1 118 TYR QB 3.070 . 4.340 17.831 17.473 18.317 13.977 1 15 [+**********-***] 1
501 1 91 LYS H 1 118 TYR H 3.000 . 4.200 22.631 22.257 23.067 18.867 1 15 [+**********-***] 1
502 1 91 LYS H 1 118 TYR QD 4.710 . 7.630 17.363 16.769 17.806 10.176 1 15 [+****-*********] 1
503 1 91 LYS QD 1 118 TYR H 4.060 . 6.320 19.887 18.983 20.985 14.665 1 15 [+**-***********] 1
504 1 91 LYS QD 1 118 TYR HA 4.640 . 7.480 18.569 17.750 19.548 12.068 13 15 [***-********+**] 1
505 1 91 LYS QD 1 118 TYR QB 3.840 . 5.880 16.054 15.195 17.094 11.214 1 15 [+**-***********] 1
506 1 91 LYS QD 1 118 TYR QD 5.120 . 8.440 15.262 14.307 16.428 7.988 1 15 [+**-***********] 1
507 1 91 LYS QB 1 119 ASN H 3.480 . 5.170 15.181 15.033 15.302 10.132 6 15 [*-***+*********] 1
508 1 92 GLU HA 1 92 GLU HG2 2.900 . 4.000 3.443 2.412 3.828 . 0 0 "[ . 1 .]" 1
509 1 92 GLU HA 1 92 GLU HG3 2.900 . 4.000 2.668 2.335 3.597 . 0 0 "[ . 1 .]" 1
510 1 92 GLU H 1 92 GLU HB2 2.770 . 3.740 2.400 2.273 2.566 . 0 0 "[ . 1 .]" 1
511 1 92 GLU H 1 92 GLU QG 3.270 . 4.740 3.566 3.051 3.973 . 0 0 "[ . 1 .]" 1
512 1 92 GLU HA 1 93 VAL H 2.580 . 3.360 2.167 2.120 2.252 . 0 0 "[ . 1 .]" 1
513 1 92 GLU HA 1 93 VAL QG 3.300 . 4.800 3.267 3.020 3.464 . 0 0 "[ . 1 .]" 1
514 1 92 GLU HB3 1 93 VAL H 2.990 . 4.180 2.909 2.647 3.364 . 0 0 "[ . 1 .]" 1
515 1 93 VAL HA 1 93 VAL QG 3.130 . 4.460 2.348 2.160 2.421 . 0 0 "[ . 1 .]" 1
516 1 93 VAL H 1 93 VAL QG 3.280 . 4.760 2.392 2.225 2.566 . 0 0 "[ . 1 .]" 1
517 1 93 VAL HA 1 94 LEU HA 3.270 . 4.740 4.512 4.481 4.542 . 0 0 "[ . 1 .]" 1
518 1 93 VAL HA 1 94 LEU HB2 3.320 . 4.840 4.574 4.169 4.739 . 0 0 "[ . 1 .]" 1
519 1 93 VAL HB 1 94 LEU H 2.740 . 3.680 2.770 2.455 3.233 . 0 0 "[ . 1 .]" 1
520 1 93 VAL H 1 94 LEU H 3.210 . 4.620 4.380 4.332 4.416 . 0 0 "[ . 1 .]" 1
521 1 93 VAL QG 1 94 LEU H 3.550 . 5.300 2.778 2.098 3.210 . 0 0 "[ . 1 .]" 1
522 1 93 VAL H 1 118 TYR H 3.190 . 4.590 17.219 16.997 17.379 12.789 3 15 [**+********-***] 1
523 1 93 VAL QG 1 118 TYR H 3.600 . 5.400 11.070 10.347 11.623 6.223 1 15 [+*************-] 1
524 1 93 VAL QG 1 118 TYR QD 4.430 . 7.060 7.632 6.905 8.251 1.191 14 9 "[* * .-* **** +.]" 1
525 1 93 VAL QG 1 118 TYR QE 4.820 . 7.840 8.015 7.107 8.773 0.933 14 8 "[* * . - **** +.]" 1
526 1 94 LEU H 1 94 LEU HB3 2.900 . 4.000 3.711 3.546 3.771 . 0 0 "[ . 1 .]" 1
527 1 94 LEU HA 1 95 LYS HA 3.190 . 4.590 4.499 4.467 4.541 . 0 0 "[ . 1 .]" 1
528 1 94 LEU HA 1 95 LYS QD 3.080 . 4.370 4.311 4.073 4.606 0.236 13 0 "[ . 1 .]" 1
529 1 94 LEU HA 1 95 LYS H 2.530 . 3.260 2.228 2.179 2.313 . 0 0 "[ . 1 .]" 1
530 1 94 LEU HB2 1 95 LYS H 2.850 . 3.900 4.274 4.186 4.445 0.545 15 1 "[ . 1 +]" 1
531 1 94 LEU HB3 1 95 LYS H 2.690 . 3.580 3.560 3.364 3.823 0.243 15 0 "[ . 1 .]" 1
532 1 94 LEU H 1 95 LYS HA 3.540 . 5.290 4.695 4.533 4.812 . 0 0 "[ . 1 .]" 1
533 1 94 LEU H 1 95 LYS H 3.290 . 4.790 4.257 4.121 4.329 . 0 0 "[ . 1 .]" 1
534 1 95 LYS H 1 95 LYS QD 2.780 . 3.760 3.589 3.494 3.794 0.034 13 0 "[ . 1 .]" 1
535 1 95 LYS H 1 95 LYS QE 3.220 . 4.640 5.299 5.199 5.440 0.800 7 15 [******+******-*] 1
536 1 95 LYS QD 1 96 THR H 3.650 . 5.500 4.416 4.256 4.626 . 0 0 "[ . 1 .]" 1
537 1 95 LYS QZ 1 96 THR HA 3.420 . 5.040 8.191 6.134 8.512 3.472 5 15 [****+*-********] 1
538 1 95 LYS QB 1 96 THR H 3.210 . 4.630 3.318 3.124 3.455 . 0 0 "[ . 1 .]" 1
539 1 95 LYS QZ 1 97 MET HA 3.360 . 4.920 9.760 7.378 10.274 5.354 5 15 [****+*-********] 1
540 1 95 LYS QZ 1 97 MET QB 3.280 . 4.760 9.892 7.649 10.318 5.558 5 15 [****+*-********] 1
541 1 95 LYS QZ 1 97 MET H 3.000 . 4.210 9.766 7.588 10.154 5.944 5 15 [****+*-********] 1
542 1 95 LYS QE 1 114 THR HA 3.330 . 4.870 20.968 20.600 21.258 16.388 6 15 [*****+*******-*] 1
543 1 95 LYS QZ 1 114 THR HA 3.370 . 4.940 20.686 18.285 21.132 16.192 5 15 [****+*-********] 1
544 1 95 LYS H 1 114 THR H 2.810 . 3.820 24.117 23.952 24.311 20.491 3 15 [**+********-***] 1
545 1 95 LYS QD 1 115 ARG HA 3.520 . 5.250 18.354 18.148 18.591 13.341 8 15 [*******+***-***] 1
546 1 95 LYS QE 1 115 ARG H 2.740 . 3.680 19.148 18.745 19.468 15.788 6 15 [*****+*******-*] 1
547 1 95 LYS H 1 115 ARG H 3.250 . 4.710 19.826 19.610 19.994 15.284 3 15 [**+********-***] 1
548 1 95 LYS QD 1 116 VAL HB 3.250 . 4.710 15.693 15.428 15.863 11.153 8 15 [*******+***-***] 1
549 1 95 LYS QE 1 116 VAL HB 3.400 . 5.000 15.767 15.368 16.120 11.120 6 15 [*****+*******-*] 1
550 1 95 LYS H 1 116 VAL H 3.190 . 4.590 17.895 17.639 18.030 13.440 6 15 [*****+*****-***] 1
551 1 96 THR HA 1 97 MET HA 3.040 . 4.290 4.426 4.364 4.462 0.172 12 0 "[ . 1 .]" 1
552 1 96 THR H 1 97 MET HA 3.280 . 4.760 4.972 4.893 5.042 0.282 13 0 "[ . 1 .]" 1
553 1 96 THR HA 1 113 ALA HA 3.130 . 4.460 21.166 21.001 21.346 16.886 3 15 [**+*****-******] 1
554 1 96 THR HA 1 114 THR H 2.960 . 4.120 19.419 19.280 19.630 15.510 3 15 [**+-***********] 1
555 1 96 THR H 1 114 THR H 3.650 . 5.500 20.508 20.307 20.745 15.245 3 15 [*-+************] 1
556 1 97 MET H 1 97 MET QB 2.950 . 4.100 2.427 2.296 2.620 . 0 0 "[ . 1 .]" 1
557 1 97 MET H 1 98 TRP H 3.410 . 5.020 4.302 4.251 4.351 . 0 0 "[ . 1 .]" 1
558 1 97 MET H 1 112 LYS H 3.030 . 4.260 21.458 21.258 21.748 17.488 3 15 [*-+************] 1
559 1 97 MET QB 1 112 LYS H 3.870 . 5.940 16.955 16.689 17.287 11.347 14 15 [***-*********+*] 1
560 1 97 MET H 1 113 ALA HA 2.940 . 4.090 18.907 18.724 19.080 14.990 3 15 [**+*****-******] 1
561 1 97 MET H 1 114 THR H 3.440 . 5.090 17.167 17.020 17.404 12.314 3 15 [**+-***********] 1
562 1 98 TRP HA 1 98 TRP HD1 3.250 . 4.710 4.146 4.075 4.188 . 0 0 "[ . 1 .]" 1
563 1 98 TRP H 1 98 TRP HD1 3.640 . 5.480 2.972 2.860 3.070 . 0 0 "[ . 1 .]" 1
564 1 98 TRP H 1 99 LEU H 3.590 . 5.380 4.442 4.386 4.474 . 0 0 "[ . 1 .]" 1
565 1 98 TRP QB 1 99 LEU H 3.510 . 5.220 2.310 2.248 2.371 . 0 0 "[ . 1 .]" 1
566 1 98 TRP HD1 1 99 LEU H 3.350 . 4.910 5.546 5.516 5.572 0.662 9 15 [********+*****-] 1
567 1 98 TRP HA 1 110 ASP HA 3.540 . 5.280 17.053 16.769 17.220 11.940 3 15 [**+*-**********] 1
568 1 98 TRP HA 1 110 ASP QB 3.730 . 5.670 16.266 15.593 16.662 10.992 3 15 [*-+************] 1
569 1 98 TRP HD1 1 110 ASP QB 3.720 . 5.640 18.665 17.994 18.992 13.352 6 15 [*-***+*********] 1
570 1 98 TRP QB 1 111 TRP HA 3.890 . 5.980 15.623 15.451 15.876 9.896 6 15 [*-***+*********] 1
571 1 98 TRP HD1 1 111 TRP HA 3.560 . 5.330 19.076 18.759 19.276 13.946 9 15 [*-******+******] 1
572 1 99 LEU H 1 99 LEU QB 3.140 . 4.480 2.774 2.712 2.815 . 0 0 "[ . 1 .]" 1
573 1 99 LEU HA 1 100 LEU H 2.520 . 3.230 2.075 2.035 2.135 . 0 0 "[ . 1 .]" 1
574 1 99 LEU QB 1 100 LEU H 2.920 . 4.040 3.703 3.657 3.753 . 0 0 "[ . 1 .]" 1
575 1 99 LEU QB 1 101 ARG QG 4.110 . 6.420 6.243 4.612 6.971 0.551 14 1 "[ . 1 +.]" 1
576 1 99 LEU HA 1 110 ASP HA 3.650 . 5.500 13.009 12.736 13.177 7.677 3 15 [**+*-**********] 1
577 1 99 LEU HA 1 110 ASP QB 3.730 . 5.660 12.809 12.150 13.212 7.552 6 15 [*-***+*********] 1
578 1 99 LEU QB 1 110 ASP QB 3.330 . 4.860 11.218 10.624 11.587 6.727 6 15 [*-***+*********] 1
579 1 99 LEU H 1 110 ASP HA 3.020 . 4.250 15.000 14.706 15.139 10.889 6 15 [****-+*********] 1
580 1 99 LEU H 1 110 ASP QB 3.420 . 5.040 14.497 13.834 14.909 9.869 6 15 [*-***+*********] 1
581 1 99 LEU QB 1 110 ASP HA 3.370 . 4.940 11.730 11.488 11.916 6.976 7 15 [****-*+********] 1
582 1 99 LEU H 1 111 TRP HA 3.130 . 4.460 15.280 15.106 15.504 11.044 6 15 [*-***+*********] 1
583 1 100 LEU H 1 100 LEU QB 3.060 . 4.330 2.530 2.474 2.621 . 0 0 "[ . 1 .]" 1
584 1 100 LEU HA 1 101 ARG HA 3.290 . 4.790 4.292 4.232 4.352 . 0 0 "[ . 1 .]" 1
585 1 100 LEU HA 1 101 ARG H 2.600 . 3.410 1.997 1.918 2.067 . 0 0 "[ . 1 .]" 1
586 1 100 LEU HA 1 101 ARG QG 4.380 . 6.960 5.357 3.947 5.726 . 0 0 "[ . 1 .]" 1
587 1 101 ARG HA 1 101 ARG QG 3.380 . 4.960 2.606 2.320 2.936 . 0 0 "[ . 1 .]" 1
588 1 101 ARG H 1 101 ARG QG 3.410 . 5.020 4.116 3.326 4.321 . 0 0 "[ . 1 .]" 1
589 1 101 ARG QG 1 102 SER H 3.730 . 5.670 3.346 2.871 4.269 . 0 0 "[ . 1 .]" 1
590 1 101 ARG HA 1 106 ASP QB 3.390 . 4.980 12.677 12.151 13.141 8.161 3 15 [**+********-***] 1
591 1 101 ARG QG 1 106 ASP QB 3.150 . 4.500 10.943 9.990 12.557 8.057 7 15 [******+****-***] 1
592 1 101 ARG QG 1 106 ASP H 4.430 . 7.060 10.317 9.130 12.254 5.194 7 15 [******+****-***] 1
593 1 101 ARG QG 1 107 ILE HA 3.480 . 5.170 9.469 8.930 10.905 5.735 7 15 [*-****+********] 1
594 1 101 ARG QG 1 107 ILE H 4.250 . 6.710 11.524 10.687 13.176 6.466 7 15 [******+****-***] 1
595 1 101 ARG QG 1 107 ILE HB 4.120 . 6.430 11.116 10.551 12.502 6.072 7 15 [******+*******-] 1
596 1 101 ARG QG 1 109 ASP H 4.120 . 6.450 10.118 9.580 11.603 5.153 7 15 [*-****+********] 1
597 1 101 ARG HA 1 110 ASP QB 3.630 . 5.460 8.069 7.274 8.589 3.129 3 15 [*-+************] 1
598 1 101 ARG QG 1 110 ASP QB 3.520 . 5.240 6.528 5.404 7.878 2.638 7 12 "[* ****+ ***-**.]" 1
599 1 101 ARG QG 1 110 ASP HA 3.820 . 5.840 6.350 5.796 7.648 1.808 7 4 "[ **- + 1 .]" 1
600 1 101 ARG QG 1 110 ASP H 4.100 . 6.400 8.780 8.248 10.076 3.676 7 15 [*-****+********] 1
601 1 102 SER H 1 103 SER H 2.810 . 3.830 4.636 4.549 4.741 0.911 8 15 [******-+*******] 1
602 1 102 SER QB 1 103 SER H 3.190 . 4.580 2.453 1.909 3.195 . 0 0 "[ . 1 .]" 1
603 1 103 SER H 1 103 SER QB 2.340 . 2.880 2.624 2.348 3.083 0.203 9 0 "[ . 1 .]" 1
604 1 103 SER HA 1 104 VAL HA 3.260 . 4.720 4.630 4.528 4.790 0.070 15 0 "[ . 1 .]" 1
605 1 103 SER HA 1 104 VAL HB 3.600 . 5.410 5.582 4.426 6.061 0.651 11 8 "[ * **- **+* .]" 1
606 1 103 SER HA 1 104 VAL H 2.460 . 3.120 2.345 2.165 2.644 . 0 0 "[ . 1 .]" 1
607 1 103 SER HA 1 104 VAL QG 3.460 . 5.130 3.838 3.577 4.435 . 0 0 "[ . 1 .]" 1
608 1 103 SER QB 1 104 VAL QG 4.020 . 5.540 4.740 4.545 5.182 . 0 0 "[ . 1 .]" 1
609 1 103 SER QB 1 104 VAL H 2.610 . 3.420 3.941 3.743 4.097 0.677 2 10 "[ +*-.*** * * **]" 1
610 1 103 SER H 1 104 VAL H 3.230 . 4.670 3.637 3.247 3.827 . 0 0 "[ . 1 .]" 1
611 1 103 SER HA 1 105 ASN H 2.870 . 3.940 6.178 3.174 6.481 2.541 2 14 "[*+******-** ***]" 1
612 1 103 SER QB 1 105 ASN H 2.720 . 3.640 6.277 3.570 6.878 3.238 7 14 "[***-**+**** ***]" 1
613 1 104 VAL HA 1 104 VAL QG 2.890 . 3.970 2.145 1.958 2.233 . 0 0 "[ . 1 .]" 1
614 1 104 VAL H 1 104 VAL HB 2.580 . 3.360 3.369 2.177 3.865 0.505 11 1 "[ . 1+ .]" 1
615 1 104 VAL H 1 104 VAL QG 2.960 . 4.130 2.170 1.814 2.962 . 0 0 "[ . 1 .]" 1
616 1 104 VAL HB 1 105 ASN H 3.020 . 4.240 2.786 1.947 4.313 0.073 15 0 "[ . 1 .]" 1
617 1 104 VAL H 1 105 ASN H 2.840 . 3.880 4.454 2.462 4.742 0.862 14 14 "[********-** *+*]" 1
618 1 104 VAL QG 1 105 ASN H 3.050 . 4.300 2.616 1.768 3.115 0.032 1 0 "[ . 1 .]" 1
619 1 104 VAL QG 1 105 ASN HA 3.770 . 5.750 3.939 3.616 4.532 . 0 0 "[ . 1 .]" 1
620 1 104 VAL H 1 106 ASP H 3.280 . 4.760 5.693 4.755 6.052 1.292 6 13 "[-****+**** ***]" 1
621 1 104 VAL QG 1 106 ASP H 4.050 . 6.300 2.739 1.724 3.632 0.076 1 0 "[ . 1 .]" 1
622 1 105 ASN H 1 106 ASP H 2.670 . 3.530 2.294 1.816 3.477 . 0 0 "[ . 1 .]" 1
623 1 105 ASN H 1 107 ILE H 3.190 . 4.580 6.591 6.175 7.263 2.683 15 15 [********-*****+] 1
624 1 106 ASP H 1 106 ASP QB 2.500 . 3.200 2.472 2.346 2.764 . 0 0 "[ . 1 .]" 1
625 1 106 ASP H 1 107 ILE H 2.580 . 3.360 4.489 4.339 4.557 1.197 8 15 [-******+*******] 1
626 1 106 ASP HA 1 108 GLY H 3.050 . 4.300 3.900 3.778 3.964 . 0 0 "[ . 1 .]" 1
627 1 106 ASP H 1 108 GLY H 3.110 . 4.420 4.987 4.839 5.238 0.818 12 9 "[** .*** -*+ *.]" 1
628 1 106 ASP HA 1 109 ASP H 3.090 . 4.380 4.881 4.715 5.058 0.678 4 6 "[- *+. ** * .]" 1
629 1 107 ILE H 1 107 ILE HB 3.070 . 4.340 2.480 2.370 2.621 . 0 0 "[ . 1 .]" 1
630 1 107 ILE H 1 108 GLY H 2.660 . 3.520 2.610 2.388 2.760 . 0 0 "[ . 1 .]" 1
631 1 107 ILE HB 1 108 GLY H 3.250 . 4.700 4.146 4.032 4.233 . 0 0 "[ . 1 .]" 1
632 1 107 ILE HA 1 110 ASP QB 3.170 . 4.540 3.164 2.886 3.555 . 0 0 "[ . 1 .]" 1
633 1 107 ILE HB 1 110 ASP QB 4.190 . 6.580 5.260 4.956 5.653 . 0 0 "[ . 1 .]" 1
634 1 108 GLY H 1 109 ASP H 2.800 . 3.800 2.777 2.608 2.909 . 0 0 "[ . 1 .]" 1
635 1 108 GLY H 1 110 ASP H 3.140 . 4.480 4.477 4.264 4.577 0.097 10 0 "[ . 1 .]" 1
636 1 109 ASP H 1 109 ASP QB 3.150 . 4.500 2.542 2.488 2.587 . 0 0 "[ . 1 .]" 1
637 1 109 ASP HB2 1 110 ASP H 3.250 . 4.710 3.945 3.792 4.074 . 0 0 "[ . 1 .]" 1
638 1 109 ASP HB3 1 110 ASP H 3.250 . 4.710 4.273 4.172 4.361 . 0 0 "[ . 1 .]" 1
639 1 109 ASP H 1 110 ASP HA 3.380 . 4.960 4.559 4.469 4.699 . 0 0 "[ . 1 .]" 1
640 1 109 ASP H 1 110 ASP H 2.490 . 3.180 2.204 2.129 2.353 . 0 0 "[ . 1 .]" 1
641 1 109 ASP H 1 110 ASP QB 3.290 . 4.780 3.840 3.690 4.124 . 0 0 "[ . 1 .]" 1
642 1 110 ASP H 1 110 ASP QB 2.910 . 4.020 2.164 2.024 2.282 . 0 0 "[ . 1 .]" 1
643 1 110 ASP HA 1 111 TRP HA 3.650 . 5.500 4.992 4.931 5.024 . 0 0 "[ . 1 .]" 1
644 1 110 ASP H 1 111 TRP H 2.750 . 3.690 2.676 2.635 2.704 . 0 0 "[ . 1 .]" 1
645 1 110 ASP QB 1 111 TRP HA 3.940 . 6.080 4.446 4.105 4.936 . 0 0 "[ . 1 .]" 1
646 1 110 ASP QB 1 111 TRP H 3.330 . 4.870 2.992 2.640 3.530 . 0 0 "[ . 1 .]" 1
647 1 111 TRP HA 1 112 LYS H 2.600 . 3.400 3.562 3.517 3.610 0.210 5 0 "[ . 1 .]" 1
648 1 111 TRP HA 1 112 LYS QB 3.500 . 5.200 5.356 5.227 5.455 0.255 10 0 "[ . 1 .]" 1
649 1 112 LYS HA 1 112 LYS QD 3.230 . 4.660 4.365 4.157 4.543 . 0 0 "[ . 1 .]" 1
650 1 112 LYS HA 1 112 LYS QG 2.940 . 4.080 3.374 3.328 3.433 . 0 0 "[ . 1 .]" 1
651 1 112 LYS H 1 112 LYS HB2 2.890 . 3.970 3.686 3.634 3.748 . 0 0 "[ . 1 .]" 1
652 1 112 LYS H 1 112 LYS HB3 2.890 . 3.970 2.799 2.510 3.073 . 0 0 "[ . 1 .]" 1
653 1 113 ALA HA 1 114 THR H 2.520 . 3.240 3.315 3.243 3.372 0.132 1 0 "[ . 1 .]" 1
654 1 113 ALA H 1 114 THR H 3.210 . 4.620 2.704 2.598 2.767 . 0 0 "[ . 1 .]" 1
655 1 114 THR H 1 115 ARG H 3.170 . 4.540 4.489 4.456 4.560 0.020 1 0 "[ . 1 .]" 1
656 1 114 THR HA 1 115 ARG H 2.770 . 3.730 2.152 2.050 2.295 . 0 0 "[ . 1 .]" 1
657 1 114 THR HA 1 115 ARG QD 4.520 . 7.240 4.982 2.731 6.675 . 0 0 "[ . 1 .]" 1
658 1 115 ARG HA 1 115 ARG QD 3.980 . 6.170 3.755 3.472 3.934 . 0 0 "[ . 1 .]" 1
659 1 115 ARG H 1 115 ARG QD 3.750 . 5.710 4.137 2.574 5.221 . 0 0 "[ . 1 .]" 1
660 1 115 ARG H 1 115 ARG HE 4.430 . 7.060 5.382 4.606 6.648 . 0 0 "[ . 1 .]" 1
661 1 115 ARG HA 1 116 VAL H 2.600 . 3.400 2.322 2.135 2.470 . 0 0 "[ . 1 .]" 1
662 1 115 ARG HB2 1 116 VAL H 3.170 . 4.550 4.099 3.466 4.610 0.060 1 0 "[ . 1 .]" 1
663 1 115 ARG HB3 1 116 VAL H 3.170 . 4.550 3.415 2.789 4.470 . 0 0 "[ . 1 .]" 1
664 1 115 ARG H 1 116 VAL H 3.200 . 4.600 4.334 4.168 4.531 . 0 0 "[ . 1 .]" 1
665 1 115 ARG QD 1 116 VAL HA 4.160 . 6.520 6.210 4.987 6.808 0.288 10 0 "[ . 1 .]" 1
666 1 115 ARG QD 1 116 VAL H 4.110 . 6.420 5.056 4.337 5.440 . 0 0 "[ . 1 .]" 1
667 1 116 VAL HA 1 117 GLY H 2.650 . 3.500 2.216 2.162 2.283 . 0 0 "[ . 1 .]" 1
668 1 116 VAL H 1 117 GLY H 3.080 . 4.360 4.480 4.368 4.562 0.202 6 0 "[ . 1 .]" 1
669 1 117 GLY H 1 118 TYR H 3.290 . 4.790 4.430 4.358 4.527 . 0 0 "[ . 1 .]" 1
670 1 118 TYR HA 1 118 TYR QD 4.090 . 6.380 3.744 3.673 3.770 . 0 0 "[ . 1 .]" 1
671 1 118 TYR H 1 118 TYR QD 4.070 . 6.340 2.520 2.345 2.731 . 0 0 "[ . 1 .]" 1
672 1 118 TYR HA 1 119 ASN H 2.570 . 3.340 2.258 2.222 2.319 . 0 0 "[ . 1 .]" 1
673 1 118 TYR QB 1 119 ASN H 3.050 . 4.180 2.726 2.523 2.877 . 0 0 "[ . 1 .]" 1
674 1 119 ASN HA 1 120 ILE HA 3.190 . 4.590 4.508 4.443 4.557 . 0 0 "[ . 1 .]" 1
675 1 119 ASN HA 1 120 ILE H 2.650 . 3.500 2.253 2.128 2.336 . 0 0 "[ . 1 .]" 1
676 1 120 ILE HA 1 121 PHE H 2.520 . 3.230 2.117 2.031 2.184 . 0 0 "[ . 1 .]" 1
677 1 120 ILE H 1 121 PHE H 3.560 . 5.320 4.259 4.117 4.338 . 0 0 "[ . 1 .]" 1
678 1 121 PHE HA 1 121 PHE QB 2.370 . 2.940 2.348 2.250 2.510 . 0 0 "[ . 1 .]" 1
679 1 121 PHE HA 1 121 PHE QD 3.400 . 5.000 3.155 2.518 3.460 . 0 0 "[ . 1 .]" 1
680 1 121 PHE H 1 121 PHE QB 2.420 . 3.030 2.632 2.302 2.836 . 0 0 "[ . 1 .]" 1
681 1 121 PHE H 1 121 PHE QD 4.110 . 6.420 2.759 2.187 3.572 . 0 0 "[ . 1 .]" 1
682 1 121 PHE QD 1 122 THR HB 4.170 . 6.540 7.362 6.591 7.613 1.073 8 12 "[*****-*+ ** **.]" 1
683 1 122 THR HA 1 122 THR HB 2.640 . 3.480 2.500 2.440 2.561 . 0 0 "[ . 1 .]" 1
684 1 122 THR HA 1 122 THR HG1 3.150 . 4.500 2.274 2.196 2.345 . 0 0 "[ . 1 .]" 1
685 1 123 ARG HA 1 123 ARG HG2 3.040 . 4.290 2.628 2.517 2.684 . 0 0 "[ . 1 .]" 1
686 1 124 LEU HA 1 124 LEU HG 3.430 . 5.060 2.421 2.133 3.388 . 0 0 "[ . 1 .]" 1
687 1 125 ARG HA 1 125 ARG QD 3.020 . 4.250 2.914 2.137 3.482 . 0 0 "[ . 1 .]" 1
688 1 125 ARG HA 1 126 THR H 2.540 . 3.270 3.000 2.029 3.577 0.307 4 0 "[ . 1 .]" 1
689 1 125 ARG QB 1 126 THR H 3.570 . 5.340 2.970 1.918 4.066 . 0 0 "[ . 1 .]" 1
690 2 3 VAL HA 2 3 VAL HB 2.770 . 3.740 2.635 2.437 3.059 . 0 0 "[ . 1 .]" 1
691 2 3 VAL HA 2 3 VAL QG 3.060 . 4.320 2.222 2.111 2.300 . 0 0 "[ . 1 .]" 1
692 2 3 VAL H 2 3 VAL HB 3.300 . 4.800 3.493 2.650 3.935 . 0 0 "[ . 1 .]" 1
693 2 3 VAL HB 2 4 ALA H 3.440 . 5.080 3.612 1.949 4.540 . 0 0 "[ . 1 .]" 1
694 2 4 ALA HA 2 5 ARG H 2.600 . 3.400 2.705 2.106 3.619 0.219 12 0 "[ . 1 .]" 1
695 2 4 ALA H 2 5 ARG H 3.120 . 4.440 3.698 1.752 4.631 0.191 2 0 "[ . 1 .]" 1
696 2 5 ARG HA 2 5 ARG QB 2.670 . 3.540 2.306 1.903 2.492 . 0 0 "[ . 1 .]" 1
697 2 5 ARG H 2 5 ARG QB 3.180 . 4.560 2.839 2.158 3.506 . 0 0 "[ . 1 .]" 1
698 2 5 ARG HA 2 6 LYS H 2.560 . 3.320 2.642 2.121 3.482 0.162 10 0 "[ . 1 .]" 1
699 2 5 ARG HA 2 6 LYS QD 4.020 . 6.240 6.382 4.258 7.198 0.958 8 5 "[ * . *+ 1- *]" 1
700 2 5 ARG QB 2 6 LYS H 3.120 . 4.450 3.731 2.737 4.040 . 0 0 "[ . 1 .]" 1
701 2 5 ARG HA 2 7 CYS H 2.950 . 4.100 6.000 5.485 6.439 2.339 11 15 [****-*****+****] 1
702 2 6 LYS HA 2 6 LYS QD 3.400 . 5.000 3.741 2.572 3.921 . 0 0 "[ . 1 .]" 1
703 2 6 LYS H 2 6 LYS QD 4.040 . 6.280 4.675 2.934 5.275 . 0 0 "[ . 1 .]" 1
704 2 6 LYS QB 2 7 CYS H 2.600 . 3.400 3.318 2.549 3.929 0.529 7 3 "[ - +* 1 .]" 1
705 2 6 LYS H 2 7 CYS H 2.640 . 3.480 4.174 3.893 4.408 0.928 10 13 "[****.*-**+*** *]" 1
706 2 6 LYS QD 2 7 CYS H 4.310 . 6.820 4.592 3.664 5.212 . 0 0 "[ . 1 .]" 1
707 2 6 LYS QD 2 23 ILE QG 5.490 . 9.180 10.584 9.253 11.584 2.404 4 12 "[*-*+.** ******.]" 1
708 2 6 LYS QB 2 29 ARG HE 4.650 . 7.500 19.220 16.574 20.391 12.891 1 15 [+****-*********] 1
709 2 6 LYS QD 2 29 ARG HE 5.120 . 8.430 18.187 15.661 20.594 12.164 3 15 [**+**-*********] 1
710 2 6 LYS QD 2 53 LEU QB 3.790 . 5.790 19.158 17.523 20.722 14.932 3 15 [**+***********-] 1
711 2 6 LYS QD 2 53 LEU HA 4.140 . 6.490 19.233 17.405 20.905 14.415 3 15 [**+***********-] 1
712 2 6 LYS QD 2 62 GLN QB 4.060 . 6.290 8.569 6.361 9.541 3.251 7 14 "[*** **+*-******]" 1
713 2 6 LYS QD 2 62 GLN QE 4.290 . 6.780 9.003 7.524 11.492 4.712 1 15 [+*******-******] 1
714 2 6 LYS QD 2 62 GLN HA 4.580 . 7.360 8.009 6.448 9.211 1.851 3 10 "[**+ . ** -****.]" 1
715 2 6 LYS QD 2 81 THR HB 4.390 . 6.980 18.838 17.182 20.604 13.624 3 15 [**+***********-] 1
716 2 6 LYS HA 2 91 LYS QD 3.630 . 5.460 13.153 11.846 14.017 8.557 10 15 [-********+*****] 1
717 2 6 LYS QD 2 91 LYS QD 4.460 . 7.120 13.430 11.459 14.985 7.865 10 15 [**-******+*****] 1
718 2 7 CYS HA 2 8 SER H 2.540 . 3.280 2.249 2.046 2.356 . 0 0 "[ . 1 .]" 1
719 2 7 CYS H 2 8 SER H 3.100 . 4.400 4.424 4.302 4.497 0.097 12 0 "[ . 1 .]" 1
720 2 7 CYS HA 2 23 ILE QG 4.250 . 6.710 9.500 9.233 9.724 3.014 12 15 [***********+*-*] 1
721 2 8 SER H 2 9 LEU H 2.950 . 4.100 4.312 4.078 4.446 0.346 15 0 "[ . 1 .]" 1
722 2 8 SER HA 2 9 LEU H 2.880 . 3.960 2.169 2.046 2.298 . 0 0 "[ . 1 .]" 1
723 2 8 SER H 2 20 ASN H 2.850 . 3.900 17.854 17.663 18.030 14.130 3 15 [**+********-***] 1
724 2 9 LEU HA 2 9 LEU QD 3.330 . 4.860 2.259 2.119 2.685 . 0 0 "[ . 1 .]" 1
725 2 9 LEU HA 2 9 LEU HG 3.060 . 4.320 3.137 2.571 3.403 . 0 0 "[ . 1 .]" 1
726 2 9 LEU H 2 9 LEU QB 3.040 . 4.280 2.553 2.289 2.801 . 0 0 "[ . 1 .]" 1
727 2 9 LEU HA 2 10 THR H 2.530 . 3.260 3.507 3.432 3.558 0.298 2 0 "[ . 1 .]" 1
728 2 9 LEU QB 2 10 THR H 3.140 . 4.480 2.972 2.731 3.257 . 0 0 "[ . 1 .]" 1
729 2 9 LEU H 2 10 THR H 3.340 . 4.880 2.812 2.602 3.108 . 0 0 "[ . 1 .]" 1
730 2 9 LEU QD 2 10 THR H 3.600 . 5.400 4.319 4.215 4.389 . 0 0 "[ . 1 .]" 1
731 2 9 LEU HG 2 10 THR H 2.880 . 3.960 4.578 4.354 4.851 0.891 1 13 "[+***.****** *-*]" 1
732 2 9 LEU HA 2 19 SER HA 2.680 . 3.560 15.358 15.159 15.802 12.242 8 15 [****-**+*******] 1
733 2 9 LEU QB 2 19 SER HA 3.420 . 5.040 13.742 13.169 13.981 8.941 1 15 [+***-**********] 1
734 2 9 LEU H 2 19 SER HA 3.460 . 5.120 17.969 17.695 18.399 13.279 8 15 [****-**+*******] 1
735 2 9 LEU QD 2 19 SER HA 3.710 . 5.620 11.316 11.016 11.624 6.004 8 15 [******-+*******] 1
736 2 9 LEU HG 2 19 SER HA 3.230 . 4.670 16.901 16.227 17.372 12.702 8 15 [-******+*******] 1
737 2 9 LEU HA 2 20 ASN H 2.900 . 4.000 13.869 13.601 14.160 10.160 3 15 [**+***-********] 1
738 2 9 LEU QB 2 20 ASN H 3.920 . 6.040 12.341 11.818 12.684 6.644 3 15 [**+*-**********] 1
739 2 9 LEU QB 2 121 PHE QD 4.630 . 7.460 7.586 7.044 7.922 0.462 3 0 "[ . 1 .]" 1
740 2 9 LEU QD 2 121 PHE QD 3.650 . 5.500 5.451 5.120 5.764 0.264 9 0 "[ . 1 .]" 1
741 2 10 THR HA 2 11 GLY H 2.590 . 3.380 2.067 1.982 2.273 . 0 0 "[ . 1 .]" 1
742 2 10 THR H 2 11 GLY H 3.230 . 4.670 4.422 4.333 4.452 . 0 0 "[ . 1 .]" 1
743 2 10 THR H 2 19 SER HA 2.830 . 3.870 17.825 17.645 18.099 14.229 8 15 [*******+******-] 1
744 2 10 THR HA 2 118 TYR QD 4.680 . 7.560 19.791 19.349 20.218 12.658 14 15 [*************+-] 1
745 2 10 THR HA 2 120 ILE HA 2.560 . 3.330 15.931 15.391 16.166 12.836 4 15 [***+**********-] 1
746 2 10 THR HA 2 121 PHE HA 3.270 . 4.740 13.676 12.919 13.958 9.218 4 15 [***+**********-] 1
747 2 10 THR HA 2 121 PHE QB 2.610 . 3.420 10.126 9.616 10.364 6.944 4 15 [***+**********-] 1
748 2 10 THR HA 2 121 PHE H 2.710 . 3.610 14.018 13.514 14.309 10.699 4 15 [***+**********-] 1
749 2 10 THR HA 2 121 PHE QD 4.200 . 6.600 10.886 10.275 11.108 4.508 4 15 [***+**********-] 1
750 2 10 THR H 2 121 PHE H 3.400 . 5.000 13.370 12.993 13.648 8.648 1 15 [+***-**********] 1
751 2 10 THR H 2 121 PHE QD 4.420 . 7.040 10.979 10.566 11.246 4.206 3 15 [**+***********-] 1
752 2 11 GLY H 2 12 LYS H 3.110 . 4.420 3.567 1.926 4.150 . 0 0 "[ . 1 .]" 1
753 2 11 GLY H 2 118 TYR HA 3.130 . 4.460 20.442 20.070 20.675 16.215 1 15 [+*********-****] 1
754 2 11 GLY H 2 119 ASN H 2.830 . 3.850 18.577 18.208 18.742 14.892 1 15 [+*********-****] 1
755 2 11 GLY H 2 121 PHE QB 3.250 . 4.710 9.656 9.174 9.963 5.253 4 15 [***+******-****] 1
756 2 11 GLY H 2 121 PHE H 3.080 . 4.360 13.718 13.167 14.099 9.739 4 15 [***+**********-] 1
757 2 11 GLY H 2 121 PHE QD 4.220 . 6.650 10.327 9.787 10.583 3.933 4 15 [***+**********-] 1
758 2 12 LYS HB2 2 13 TRP H 3.030 . 4.260 4.114 3.920 4.286 0.026 8 0 "[ . 1 .]" 1
759 2 12 LYS HB3 2 13 TRP H 3.030 . 4.260 3.373 2.602 3.895 . 0 0 "[ . 1 .]" 1
760 2 12 LYS H 2 13 TRP H 3.190 . 4.580 4.296 4.037 4.378 . 0 0 "[ . 1 .]" 1
761 2 12 LYS QB 2 13 TRP H 3.170 . 4.540 3.203 2.566 3.554 . 0 0 "[ . 1 .]" 1
762 2 12 LYS H 2 16 ASP H 2.940 . 4.080 14.001 13.757 14.442 10.362 10 15 [****-****+*****] 1
763 2 12 LYS H 2 18 GLY H 3.380 . 4.960 15.155 15.076 15.398 10.438 10 15 [*******-*+*****] 1
764 2 12 LYS HA 2 118 TYR HA 2.830 . 3.860 18.143 17.933 18.302 14.442 1 15 [+*********-****] 1
765 2 12 LYS HA 2 118 TYR QD 4.290 . 6.790 17.215 16.879 17.443 10.653 14 15 [*************+-] 1
766 2 12 LYS H 2 118 TYR QD 4.160 . 6.520 18.330 17.993 18.689 12.169 1 15 [+*************-] 1
767 2 12 LYS QB 2 118 TYR HA 3.740 . 5.680 17.856 17.399 18.135 12.455 14 15 [*************+-] 1
768 2 13 TRP H 2 13 TRP QB 3.250 . 4.710 2.769 2.614 2.908 . 0 0 "[ . 1 .]" 1
769 2 13 TRP H 2 14 THR H 2.940 . 4.080 4.427 4.391 4.463 0.383 6 0 "[ . 1 .]" 1
770 2 13 TRP QB 2 14 THR H 3.520 . 5.240 2.432 2.343 2.506 . 0 0 "[ . 1 .]" 1
771 2 13 TRP H 2 15 ASN H 3.300 . 4.800 7.105 7.000 7.220 2.420 13 15 [***-********+**] 1
772 2 13 TRP QB 2 117 GLY H 3.840 . 5.880 15.188 15.020 15.342 9.462 4 15 [***+****-******] 1
773 2 14 THR H 2 14 THR HB 3.090 . 4.380 3.352 3.155 3.507 . 0 0 "[ . 1 .]" 1
774 2 14 THR H 2 15 ASN H 2.660 . 3.520 4.366 4.336 4.392 0.872 15 15 [***********-**+] 1
775 2 14 THR H 2 15 ASN HA 3.670 . 5.550 4.703 4.591 4.794 . 0 0 "[ . 1 .]" 1
776 2 14 THR HB 2 15 ASN H 3.550 . 5.300 3.945 3.844 4.068 . 0 0 "[ . 1 .]" 1
777 2 14 THR H 2 16 ASP H 2.850 . 3.890 6.670 6.530 6.853 2.963 11 15 [****-*****+****] 1
778 2 14 THR HB 2 16 ASP H 3.330 . 4.860 7.524 7.355 7.734 2.874 11 15 [********-*+****] 1
779 2 14 THR HB 2 37 ILE MG 4.160 . 6.520 8.074 7.466 8.414 1.894 7 15 [****-*+********] 1
780 2 15 ASN H 2 16 ASP H 2.590 . 3.380 4.495 4.447 4.579 1.199 11 15 [*******-**+****] 1
781 2 15 ASN H 2 36 TYR QB 3.960 . 6.120 9.409 9.115 9.577 3.457 6 15 [*****+**-******] 1
782 2 15 ASN HA 2 36 TYR QB 3.730 . 5.660 10.688 10.317 11.043 5.383 8 15 [***-***+*******] 1
783 2 16 ASP H 2 16 ASP QB 2.810 . 3.810 2.412 2.021 2.576 . 0 0 "[ . 1 .]" 1
784 2 16 ASP HA 2 17 LEU H 2.610 . 3.420 3.509 3.463 3.543 0.123 10 0 "[ . 1 .]" 1
785 2 16 ASP QB 2 17 LEU H 2.960 . 4.130 3.143 2.887 3.671 . 0 0 "[ . 1 .]" 1
786 2 16 ASP H 2 17 LEU H 3.190 . 4.590 2.825 2.589 3.029 . 0 0 "[ . 1 .]" 1
787 2 16 ASP QB 2 17 LEU HA 3.890 . 5.980 4.290 4.069 4.691 . 0 0 "[ . 1 .]" 1
788 2 16 ASP HA 2 35 THR HA 2.730 . 3.650 18.081 17.748 18.322 14.672 8 15 [*******+-******] 1
789 2 16 ASP HA 2 35 THR MG 3.960 . 6.120 16.567 16.345 16.846 10.726 8 15 [*******+-******] 1
790 2 16 ASP QB 2 35 THR HA 3.040 . 4.280 17.136 16.614 17.389 13.109 11 15 [****-*****+****] 1
791 2 16 ASP H 2 35 THR HA 3.240 . 4.680 16.641 16.387 16.881 12.201 15 15 [***-**********+] 1
792 2 16 ASP HA 2 36 TYR H 2.940 . 4.080 16.628 16.319 16.807 12.727 8 15 [*******+-******] 1
793 2 16 ASP HA 2 36 TYR QB 3.230 . 4.660 13.626 13.320 13.862 9.202 15 15 [********-*****+] 1
794 2 16 ASP H 2 36 TYR QB 3.650 . 5.500 12.186 11.848 12.492 6.992 15 15 [*********-****+] 1
795 2 16 ASP HA 2 37 ILE H 3.580 . 5.370 12.493 12.148 12.696 7.326 8 15 [*******+-******] 1
796 2 17 LEU H 2 17 LEU HB2 2.870 . 3.930 2.440 2.329 2.526 . 0 0 "[ . 1 .]" 1
797 2 17 LEU H 2 17 LEU HB3 2.870 . 3.930 2.447 2.365 2.523 . 0 0 "[ . 1 .]" 1
798 2 17 LEU H 2 17 LEU QB 3.050 . 4.300 2.176 2.091 2.220 . 0 0 "[ . 1 .]" 1
799 2 17 LEU HA 2 18 GLY H 2.480 . 3.160 3.355 3.335 3.389 0.229 13 0 "[ . 1 .]" 1
800 2 17 LEU HB2 2 18 GLY H 3.070 . 4.340 4.145 4.048 4.232 . 0 0 "[ . 1 .]" 1
801 2 17 LEU HB3 2 18 GLY H 3.070 . 4.340 3.213 3.074 3.307 . 0 0 "[ . 1 .]" 1
802 2 17 LEU H 2 18 GLY H 3.170 . 4.550 2.535 2.466 2.655 . 0 0 "[ . 1 .]" 1
803 2 17 LEU H 2 34 GLY H 3.090 . 4.380 19.261 18.957 19.579 15.199 6 15 [*****+**-******] 1
804 2 17 LEU H 2 35 THR HA 2.990 . 4.180 16.278 16.088 16.457 12.277 15 15 [***-**********+] 1
805 2 17 LEU H 2 36 TYR QB 4.050 . 6.300 11.574 11.331 11.854 5.554 15 15 [***-**********+] 1
806 2 17 LEU HA 2 121 PHE QD 4.200 . 6.600 8.931 8.659 9.175 2.575 15 15 [***-**********+] 1
807 2 19 SER HA 2 20 ASN H 2.580 . 3.360 2.210 2.146 2.322 . 0 0 "[ . 1 .]" 1
808 2 19 SER H 2 20 ASN H 3.110 . 4.420 4.630 4.600 4.669 0.249 11 0 "[ . 1 .]" 1
809 2 19 SER H 2 32 PHE H 2.750 . 3.700 21.061 20.651 21.256 17.556 5 15 [****+*****-****] 1
810 2 19 SER H 2 33 THR HA 2.940 . 4.080 18.452 18.104 18.670 14.590 8 15 [*******+**-****] 1
811 2 19 SER H 2 49 LEU QD 4.130 . 6.460 9.926 9.651 10.142 3.682 15 15 [*-************+] 1
812 2 20 ASN HA 2 21 MET H 2.500 . 3.190 2.194 2.065 2.272 . 0 0 "[ . 1 .]" 1
813 2 20 ASN H 2 21 MET H 3.190 . 4.580 4.479 4.427 4.531 . 0 0 "[ . 1 .]" 1
814 2 20 ASN HA 2 49 LEU QD 4.500 . 7.200 7.502 7.116 7.741 0.541 15 1 "[ . 1 +]" 1
815 2 21 MET H 2 22 THR H 3.050 . 4.300 4.439 4.391 4.489 0.189 9 0 "[ . 1 .]" 1
816 2 22 THR H 2 22 THR HB 3.050 . 4.300 2.763 2.709 2.849 . 0 0 "[ . 1 .]" 1
817 2 22 THR HA 2 23 ILE H 2.440 . 3.070 2.168 2.078 2.223 . 0 0 "[ . 1 .]" 1
818 2 22 THR HA 2 23 ILE QG 3.800 . 5.800 3.695 3.566 3.850 . 0 0 "[ . 1 .]" 1
819 2 22 THR HB 2 23 ILE HA 3.600 . 5.400 4.700 4.585 4.841 . 0 0 "[ . 1 .]" 1
820 2 22 THR HB 2 23 ILE H 3.030 . 4.260 4.052 3.953 4.120 . 0 0 "[ . 1 .]" 1
821 2 23 ILE HA 2 23 ILE QG 3.030 . 4.260 2.410 2.378 2.463 . 0 0 "[ . 1 .]" 1
822 2 23 ILE HA 2 23 ILE MG 3.030 . 4.260 2.502 2.415 2.547 . 0 0 "[ . 1 .]" 1
823 2 23 ILE H 2 23 ILE HB 2.850 . 3.900 2.600 2.506 2.678 . 0 0 "[ . 1 .]" 1
824 2 23 ILE H 2 23 ILE QG 3.400 . 5.000 3.071 3.027 3.100 . 0 0 "[ . 1 .]" 1
825 2 23 ILE H 2 23 ILE MG 3.400 . 5.000 3.844 3.795 3.890 . 0 0 "[ . 1 .]" 1
826 2 23 ILE H 2 23 ILE QG 3.550 . 5.300 2.955 2.916 2.982 . 0 0 "[ . 1 .]" 1
827 2 23 ILE HA 2 24 GLY H 2.520 . 3.230 2.103 2.069 2.144 . 0 0 "[ . 1 .]" 1
828 2 23 ILE HB 2 24 GLY H 3.050 . 4.300 4.317 4.274 4.347 0.047 11 0 "[ . 1 .]" 1
829 2 23 ILE H 2 24 GLY H 3.250 . 4.700 4.240 4.205 4.289 . 0 0 "[ . 1 .]" 1
830 2 23 ILE QG 2 26 VAL H 4.530 . 7.260 4.028 3.783 4.407 . 0 0 "[ . 1 .]" 1
831 2 23 ILE QG 2 27 ASN H 3.900 . 6.000 5.985 5.827 6.178 0.178 4 0 "[ . 1 .]" 1
832 2 23 ILE QG 2 28 SER H 4.220 . 6.650 9.294 9.043 9.485 2.835 7 15 [******+**-*****] 1
833 2 23 ILE HA 2 29 ARG HA 2.850 . 3.900 16.392 16.177 16.533 12.633 14 15 [********-****+*] 1
834 2 23 ILE HA 2 29 ARG QB 3.170 . 4.540 13.573 13.251 14.016 9.476 5 15 [****+*****-****] 1
835 2 23 ILE HA 2 29 ARG QD 4.230 . 6.660 14.887 13.690 15.374 8.714 5 15 [****+*****-****] 1
836 2 23 ILE H 2 29 ARG QB 3.560 . 5.320 15.627 15.330 16.006 10.686 5 15 [****+*****-****] 1
837 2 23 ILE QG 2 29 ARG QB 3.800 . 5.800 12.093 11.666 12.505 6.705 5 15 [****+****-*****] 1
838 2 23 ILE QG 2 29 ARG QD 4.700 . 7.600 13.022 11.995 13.521 5.921 7 15 [******+***-****] 1
839 2 23 ILE MG 2 29 ARG QB 3.800 . 5.800 9.662 9.449 9.981 4.181 13 15 [********-***+**] 1
840 2 23 ILE MG 2 29 ARG QD 4.700 . 7.600 10.881 10.021 11.312 3.712 3 15 [**+*******-****] 1
841 2 23 ILE QG 2 29 ARG HA 3.930 . 6.060 11.105 10.946 11.238 5.178 4 15 [***+****-******] 1
842 2 23 ILE QG 2 29 ARG QB 3.900 . 6.000 9.296 9.088 9.601 3.601 13 15 [*********-**+**] 1
843 2 23 ILE QG 2 29 ARG QD 4.620 . 7.450 10.362 9.544 10.718 3.268 3 15 [**+*******-****] 1
844 2 23 ILE QG 2 53 LEU H 4.290 . 6.780 6.667 6.486 6.875 0.095 9 0 "[ . 1 .]" 1
845 2 23 ILE QG 2 53 LEU QB 4.930 . 8.060 7.049 6.769 7.302 . 0 0 "[ . 1 .]" 1
846 2 23 ILE QG 2 53 LEU HG 4.350 . 6.900 8.423 7.795 8.775 1.875 15 15 [******-*******+] 1
847 2 24 GLY H 2 27 ASN H 3.120 . 4.450 8.674 8.509 8.819 4.369 8 15 [*******+**-****] 1
848 2 24 GLY H 2 28 SER H 2.850 . 3.890 12.656 12.388 12.821 8.931 8 15 [*******+**-****] 1
849 2 24 GLY H 2 29 ARG QB 3.500 . 5.200 12.974 12.651 13.414 8.214 5 15 [****+*****-****] 1
850 2 25 ALA HA 2 27 ASN H 3.170 . 4.540 6.090 5.982 6.204 1.664 3 15 [**+*******-****] 1
851 2 26 VAL HA 2 26 VAL QG 3.170 . 4.540 2.317 2.126 2.496 . 0 0 "[ . 1 .]" 1
852 2 26 VAL H 2 26 VAL HB 2.980 . 4.160 2.840 2.520 3.763 . 0 0 "[ . 1 .]" 1
853 2 26 VAL H 2 26 VAL QG 3.340 . 4.880 2.105 1.910 2.421 . 0 0 "[ . 1 .]" 1
854 2 26 VAL H 2 27 ASN H 2.580 . 3.360 4.521 4.450 4.603 1.243 3 15 [**+-***********] 1
855 2 26 VAL HB 2 27 ASN H 3.360 . 4.920 4.050 3.053 4.273 . 0 0 "[ . 1 .]" 1
856 2 26 VAL QG 2 27 ASN H 3.230 . 4.670 2.637 2.433 3.333 . 0 0 "[ . 1 .]" 1
857 2 26 VAL HA 2 28 SER H 3.370 . 4.940 6.382 6.324 6.499 1.559 13 15 [*********-**+**] 1
858 2 26 VAL H 2 28 SER H 2.920 . 4.040 7.277 7.062 7.537 3.497 12 15 [*-*********+***] 1
859 2 26 VAL HB 2 28 SER H 3.330 . 4.860 7.302 6.147 7.968 3.108 6 15 [*-***+*********] 1
860 2 27 ASN H 2 28 SER H 2.690 . 3.580 4.671 4.626 4.725 1.145 13 15 [*******-****+**] 1
861 2 28 SER HA 2 28 SER HG 3.340 . 4.880 3.659 3.322 4.050 . 0 0 "[ . 1 .]" 1
862 2 28 SER HA 2 29 ARG H 2.500 . 3.200 3.538 3.489 3.614 0.414 12 0 "[ . 1 .]" 1
863 2 28 SER HB2 2 29 ARG H 2.650 . 3.500 3.671 2.970 4.182 0.682 4 6 "[ +.* 1*** -]" 1
864 2 28 SER HB3 2 29 ARG H 3.060 . 4.330 3.894 2.954 4.402 0.072 15 0 "[ . 1 .]" 1
865 2 28 SER HG 2 29 ARG QD 5.150 . 8.500 8.376 6.926 9.212 0.712 1 5 "[+*- * 1 *.]" 1
866 2 28 SER HA 2 52 LEU HA 2.990 . 4.180 18.778 18.357 19.088 14.908 5 15 [-***+**********] 1
867 2 29 ARG HA 2 29 ARG QD 3.900 . 6.000 3.886 2.461 4.353 . 0 0 "[ . 1 .]" 1
868 2 29 ARG H 2 29 ARG QB 3.340 . 4.880 2.194 2.071 2.276 . 0 0 "[ . 1 .]" 1
869 2 29 ARG H 2 29 ARG QD 3.920 . 6.040 4.856 4.527 5.142 . 0 0 "[ . 1 .]" 1
870 2 29 ARG HA 2 30 GLY H 2.470 . 3.140 3.497 3.464 3.517 0.377 14 0 "[ . 1 .]" 1
871 2 29 ARG H 2 30 GLY H 3.110 . 4.420 2.463 2.335 2.529 . 0 0 "[ . 1 .]" 1
872 2 29 ARG QB 2 30 GLY H 3.060 . 4.320 2.907 2.715 3.173 . 0 0 "[ . 1 .]" 1
873 2 29 ARG QD 2 30 GLY H 3.980 . 6.160 5.104 4.576 5.499 . 0 0 "[ . 1 .]" 1
874 2 29 ARG QD 2 49 LEU QD 4.970 . 8.140 15.727 14.226 16.561 8.421 9 15 [********+*-****] 1
875 2 29 ARG HE 2 49 LEU QD 4.670 . 7.540 17.559 15.728 19.254 11.714 8 15 [******-+*******] 1
876 2 29 ARG QD 2 52 LEU HA 4.320 . 6.840 14.490 13.319 15.282 8.442 6 15 [*****+*******-*] 1
877 2 29 ARG H 2 53 LEU H 3.620 . 5.450 15.080 14.793 15.247 9.797 4 15 [-**+***********] 1
878 2 29 ARG QD 2 53 LEU QB 4.590 . 7.380 10.021 8.636 11.205 3.825 6 15 [*****+****-****] 1
879 2 29 ARG HE 2 53 LEU HA 4.190 . 6.580 12.209 9.752 14.646 8.066 6 15 [-****+*********] 1
880 2 29 ARG HE 2 53 LEU H 4.150 . 6.500 14.598 12.158 16.925 10.425 6 15 [-****+*********] 1
881 2 29 ARG HE 2 53 LEU QB 4.630 . 7.460 11.568 9.101 14.331 6.871 6 15 [-****+*********] 1
882 2 29 ARG HE 2 53 LEU HG 4.470 . 7.140 11.296 8.431 13.835 6.695 6 15 [*****+-********] 1
883 2 30 GLY H 2 31 GLU H 3.170 . 4.550 2.217 2.086 2.293 . 0 0 "[ . 1 .]" 1
884 2 31 GLU H 2 32 PHE H 3.150 . 4.500 4.575 4.517 4.619 0.119 5 0 "[ . 1 .]" 1
885 2 31 GLU H 2 49 LEU HG 3.170 . 4.540 19.753 19.482 20.401 15.861 11 15 [*********-+****] 1
886 2 31 GLU H 2 49 LEU QD 3.790 . 5.790 14.937 14.305 15.394 9.604 1 15 [+*********-****] 1
887 2 32 PHE HA 2 33 THR H 2.540 . 3.270 2.352 2.199 2.414 . 0 0 "[ . 1 .]" 1
888 2 32 PHE H 2 33 THR H 3.190 . 4.580 4.327 4.292 4.385 . 0 0 "[ . 1 .]" 1
889 2 32 PHE HA 2 46 ASN QD 3.710 . 5.620 23.986 22.483 25.822 20.202 13 15 [*********-**+**] 1
890 2 32 PHE HA 2 47 ILE H 3.650 . 5.500 25.427 24.902 25.702 20.202 12 15 [********-**+***] 1
891 2 32 PHE HA 2 49 LEU HG 3.650 . 5.500 14.652 14.351 15.335 9.835 11 15 [********-*+****] 1
892 2 32 PHE HA 2 49 LEU H 3.000 . 4.200 18.750 17.927 19.034 14.834 14 15 [-************+*] 1
893 2 32 PHE HA 2 49 LEU QD 3.750 . 5.700 11.026 10.559 11.429 5.729 1 15 [+*********-****] 1
894 2 32 PHE H 2 49 LEU HG 3.080 . 4.360 15.364 15.124 16.086 11.726 11 15 [*********-+****] 1
895 2 32 PHE H 2 49 LEU H 3.650 . 5.500 19.317 18.457 19.575 14.075 6 15 [-****+*********] 1
896 2 33 THR HA 2 34 GLY H 2.560 . 3.320 2.582 2.349 2.819 . 0 0 "[ . 1 .]" 1
897 2 33 THR H 2 34 GLY H 3.150 . 4.500 4.409 4.345 4.499 . 0 0 "[ . 1 .]" 1
898 2 33 THR H 2 46 ASN HA 3.370 . 4.940 24.698 23.815 25.211 20.271 5 15 [****+***-******] 1
899 2 33 THR H 2 46 ASN QD 3.850 . 5.900 22.062 20.561 23.873 17.973 13 15 [*********-**+**] 1
900 2 33 THR H 2 47 ILE H 3.010 . 4.220 23.330 22.730 23.636 19.416 12 15 [********-**+***] 1
901 2 33 THR H 2 48 THR HA 3.190 . 4.580 18.630 17.905 19.013 14.433 14 15 [-************+*] 1
902 2 33 THR HA 2 49 LEU QD 4.060 . 6.320 8.315 7.610 8.870 2.550 13 15 [**********-*+**] 1
903 2 33 THR H 2 49 LEU H 3.320 . 4.840 16.489 15.635 16.778 11.938 14 15 [-************+*] 1
904 2 33 THR H 2 49 LEU QD 4.100 . 6.400 9.294 8.999 9.615 3.215 1 15 [+*****-********] 1
905 2 34 GLY H 2 46 ASN QD 4.330 . 6.860 18.189 16.814 19.984 13.124 13 15 [*********-**+**] 1
906 2 35 THR HA 2 35 THR MG 3.260 . 4.720 2.271 2.169 2.371 . 0 0 "[ . 1 .]" 1
907 2 35 THR H 2 35 THR MG 3.370 . 4.940 3.254 3.117 3.460 . 0 0 "[ . 1 .]" 1
908 2 35 THR HB 2 37 ILE H 3.650 . 5.500 5.385 5.145 5.658 0.158 9 0 "[ . 1 .]" 1
909 2 35 THR MG 2 37 ILE HA 4.040 . 6.280 6.757 6.533 7.157 0.877 9 5 "[* * . - +1 *.]" 1
910 2 35 THR MG 2 37 ILE H 3.420 . 5.040 6.519 6.329 6.722 1.682 9 15 [****-***+******] 1
911 2 35 THR MG 2 44 PRO QD 3.560 . 5.330 15.524 15.186 15.944 10.614 15 15 [******-*******+] 1
912 2 35 THR MG 2 44 PRO QG 3.440 . 5.080 15.613 15.162 16.104 11.024 15 15 [******-*******+] 1
913 2 36 TYR H 2 36 TYR QB 3.210 . 4.630 2.286 2.224 2.342 . 0 0 "[ . 1 .]" 1
914 2 36 TYR HA 2 37 ILE QG 3.560 . 5.320 3.985 3.422 4.962 . 0 0 "[ . 1 .]" 1
915 2 36 TYR H 2 37 ILE H 2.890 . 3.980 4.472 4.362 4.526 0.546 8 9 "[ * *.**+ 1 ***-]" 1
916 2 36 TYR H 2 37 ILE MG 3.810 . 5.830 6.347 6.142 6.471 0.641 3 11 "[ *+****- * ***.]" 1
917 2 36 TYR QB 2 37 ILE H 3.310 . 4.830 3.836 3.758 3.921 . 0 0 "[ . 1 .]" 1
918 2 36 TYR QB 2 37 ILE MG 3.770 . 5.750 5.910 5.821 6.066 0.316 11 0 "[ . 1 .]" 1
919 2 36 TYR HA 2 44 PRO QD 3.440 . 5.080 15.212 14.785 15.612 10.532 15 15 [******-*******+] 1
920 2 36 TYR HA 2 44 PRO QG 3.360 . 4.920 15.350 14.858 15.871 10.951 15 15 [******-*******+] 1
921 2 37 ILE HA 2 37 ILE QG 2.860 . 3.920 2.352 2.260 2.409 . 0 0 "[ . 1 .]" 1
922 2 37 ILE HA 2 37 ILE MG 3.180 . 4.560 2.417 2.234 2.569 . 0 0 "[ . 1 .]" 1
923 2 37 ILE H 2 37 ILE QG 3.380 . 4.960 2.966 2.407 3.615 . 0 0 "[ . 1 .]" 1
924 2 37 ILE H 2 37 ILE MG 3.270 . 4.750 3.832 3.727 3.887 . 0 0 "[ . 1 .]" 1
925 2 37 ILE HA 2 38 THR H 2.460 . 3.120 2.108 2.041 2.197 . 0 0 "[ . 1 .]" 1
926 2 37 ILE HB 2 38 THR H 2.620 . 3.440 4.205 4.019 4.389 0.949 5 15 [**-*+**********] 1
927 2 37 ILE QG 2 38 THR H 3.480 . 5.170 4.079 3.914 4.246 . 0 0 "[ . 1 .]" 1
928 2 37 ILE MG 2 38 THR H 3.350 . 4.900 2.687 2.335 2.862 . 0 0 "[ . 1 .]" 1
929 2 37 ILE MG 2 38 THR HB 4.520 . 7.240 4.363 4.193 4.621 . 0 0 "[ . 1 .]" 1
930 2 37 ILE HA 2 44 PRO QD 3.250 . 4.700 12.021 11.622 12.428 7.728 5 15 [****+*-********] 1
931 2 38 THR H 2 38 THR HB 3.190 . 4.580 2.189 2.047 2.316 . 0 0 "[ . 1 .]" 1
932 2 38 THR HA 2 39 ALA H 2.600 . 3.400 2.196 2.129 2.238 . 0 0 "[ . 1 .]" 1
933 2 38 THR H 2 39 ALA H 3.170 . 4.540 4.524 4.397 4.590 0.050 7 0 "[ . 1 .]" 1
934 2 38 THR HB 2 39 ALA H 3.110 . 4.420 4.280 4.133 4.466 0.046 2 0 "[ . 1 .]" 1
935 2 38 THR HB 2 40 VAL HA 3.730 . 5.660 6.578 6.348 6.871 1.211 11 15 [******-***+****] 1
936 2 38 THR HB 2 40 VAL H 3.310 . 4.820 4.378 3.893 4.712 . 0 0 "[ . 1 .]" 1
937 2 38 THR H 2 41 ALA MB 2.960 . 4.120 6.303 6.086 6.566 2.446 12 15 [-**********+***] 1
938 2 38 THR HB 2 41 ALA HA 3.100 . 4.400 6.138 5.771 6.383 1.983 13 15 [********-***+**] 1
939 2 38 THR HB 2 41 ALA MB 3.810 . 4.800 4.602 4.302 4.965 0.165 15 0 "[ . 1 .]" 1
940 2 38 THR HB 2 44 PRO QD 3.410 . 5.020 8.634 8.129 9.261 4.241 15 15 [******-*******+] 1
941 2 39 ALA H 2 39 ALA MB 2.730 . 3.650 2.267 2.250 2.315 . 0 0 "[ . 1 .]" 1
942 2 39 ALA H 2 40 VAL H 2.900 . 4.000 2.432 2.366 2.539 . 0 0 "[ . 1 .]" 1
943 2 39 ALA MB 2 40 VAL H 3.140 . 4.480 3.157 3.002 3.405 . 0 0 "[ . 1 .]" 1
944 2 40 VAL H 2 40 VAL HB 3.070 . 4.340 3.822 3.782 3.859 . 0 0 "[ . 1 .]" 1
945 2 41 ALA MB 2 42 ASP HA 3.650 . 5.500 4.297 4.239 4.392 . 0 0 "[ . 1 .]" 1
946 2 41 ALA MB 2 43 ASN H 3.270 . 4.740 2.449 2.172 2.685 . 0 0 "[ . 1 .]" 1
947 2 41 ALA HA 2 44 PRO QD 3.030 . 4.260 4.585 4.441 4.736 0.476 3 0 "[ . 1 .]" 1
948 2 41 ALA HA 2 44 PRO QG 3.870 . 5.940 5.838 5.373 5.979 0.039 3 0 "[ . 1 .]" 1
949 2 41 ALA MB 2 44 PRO QD 3.210 . 4.620 2.585 2.398 2.793 . 0 0 "[ . 1 .]" 1
950 2 42 ASP H 2 43 ASN H 2.870 . 3.940 2.404 2.258 2.607 . 0 0 "[ . 1 .]" 1
951 2 43 ASN H 2 43 ASN QB 3.130 . 4.460 2.768 2.406 3.261 . 0 0 "[ . 1 .]" 1
952 2 43 ASN QB 2 70 ASN QB 2.920 . 4.040 13.132 12.532 14.086 10.046 4 15 [***+******-****] 1
953 2 43 ASN QB 2 70 ASN QD 4.310 . 6.820 12.482 11.362 13.320 6.500 14 15 [************-+*] 1
954 2 44 PRO HA 2 44 PRO QG 3.080 . 4.370 3.517 3.501 3.536 . 0 0 "[ . 1 .]" 1
955 2 44 PRO QG 2 45 GLY H 3.210 . 4.630 3.978 2.077 4.536 . 0 0 "[ . 1 .]" 1
956 2 44 PRO HA 2 70 ASN QD 4.130 . 6.460 14.369 13.073 15.408 8.948 12 15 [***********+-**] 1
957 2 44 PRO QD 2 70 ASN QD 5.120 . 8.430 14.608 13.581 15.601 7.171 15 15 [************-*+] 1
958 2 44 PRO QG 2 70 ASN QD 4.490 . 7.180 15.671 14.595 16.628 9.448 12 15 [***********+-**] 1
959 2 45 GLY H 2 70 ASN QB 3.460 . 4.340 15.415 14.734 16.506 12.166 7 15 [*****-+********] 1
960 2 45 GLY H 2 70 ASN QD 3.780 . 5.760 15.053 13.234 16.440 10.680 7 15 [******+*****-**] 1
961 2 46 ASN HA 2 46 ASN QD 3.460 . 5.130 3.150 2.208 4.039 . 0 0 "[ . 1 .]" 1
962 2 46 ASN HA 2 47 ILE HA 3.120 . 4.440 4.858 4.631 5.168 0.728 6 6 "[ -* *+* 1 *.]" 1
963 2 46 ASN HA 2 47 ILE H 2.500 . 3.200 3.060 2.589 3.521 0.321 6 0 "[ . 1 .]" 1
964 2 46 ASN QB 2 47 ILE H 3.600 . 5.400 3.713 2.827 3.997 . 0 0 "[ . 1 .]" 1
965 2 46 ASN QD 2 47 ILE HA 4.160 . 6.520 5.895 4.481 7.111 0.591 8 2 "[ . + 1 - .]" 1
966 2 46 ASN QD 2 47 ILE H 3.860 . 5.920 5.223 4.326 6.099 0.179 12 0 "[ . 1 .]" 1
967 2 47 ILE H 2 47 ILE HB 3.180 . 4.560 2.776 2.551 3.085 . 0 0 "[ . 1 .]" 1
968 2 47 ILE HA 2 48 THR HA 3.270 . 4.750 4.374 4.264 4.533 . 0 0 "[ . 1 .]" 1
969 2 47 ILE HA 2 48 THR HG1 3.180 . 4.560 6.475 5.605 6.621 2.061 13 15 [************+-*] 1
970 2 47 ILE HA 2 48 THR HG1 3.330 . 4.860 3.379 3.267 3.463 . 0 0 "[ . 1 .]" 1
971 2 47 ILE H 2 48 THR HA 3.650 . 5.500 5.807 5.632 5.981 0.481 5 0 "[ . 1 .]" 1
972 2 47 ILE HB 2 68 THR H 4.010 . 6.220 19.279 18.985 19.647 13.427 8 15 [*******+-******] 1
973 2 48 THR HA 2 49 LEU H 2.480 . 3.150 2.380 2.152 2.520 . 0 0 "[ . 1 .]" 1
974 2 48 THR HA 2 49 LEU QD 4.310 . 6.830 4.964 3.696 5.340 . 0 0 "[ . 1 .]" 1
975 2 49 LEU HA 2 49 LEU QD 3.550 . 5.300 2.619 2.132 3.027 . 0 0 "[ . 1 .]" 1
976 2 49 LEU H 2 49 LEU HG 2.960 . 4.130 4.304 4.105 4.413 0.283 14 0 "[ . 1 .]" 1
977 2 49 LEU H 2 49 LEU QD 3.460 . 5.120 3.419 2.525 3.653 . 0 0 "[ . 1 .]" 1
978 2 49 LEU H 2 50 SER H 3.130 . 4.460 4.509 4.412 4.584 0.124 14 0 "[ . 1 .]" 1
979 2 49 LEU QD 2 50 SER H 4.020 . 5.880 3.297 2.167 3.845 . 0 0 "[ . 1 .]" 1
980 2 49 LEU QD 2 50 SER HA 3.960 . 6.120 4.093 3.277 4.979 . 0 0 "[ . 1 .]" 1
981 2 49 LEU HA 2 67 PHE H 3.020 . 4.240 15.613 15.267 15.878 11.638 8 15 [-******+*******] 1
982 2 50 SER HA 2 50 SER HG 2.830 . 3.850 3.662 2.796 4.038 0.188 7 0 "[ . 1 .]" 1
983 2 50 SER H 2 50 SER HB2 2.990 . 4.180 3.019 2.460 3.753 . 0 0 "[ . 1 .]" 1
984 2 50 SER H 2 50 SER HB3 2.990 . 4.180 3.317 2.672 3.751 . 0 0 "[ . 1 .]" 1
985 2 50 SER H 2 50 SER HG 3.380 . 4.960 3.708 2.700 4.586 . 0 0 "[ . 1 .]" 1
986 2 52 LEU HA 2 52 LEU QD 3.300 . 4.800 3.385 3.318 3.426 . 0 0 "[ . 1 .]" 1
987 2 52 LEU H 2 52 LEU QD 3.430 . 5.060 3.342 3.095 3.498 . 0 0 "[ . 1 .]" 1
988 2 52 LEU HA 2 53 LEU HG 3.320 . 4.840 6.289 6.049 6.508 1.668 4 15 [***+******-****] 1
989 2 52 LEU H 2 53 LEU HA 3.340 . 4.880 5.165 5.051 5.233 0.353 6 0 "[ . 1 .]" 1
990 2 52 LEU H 2 53 LEU H 3.190 . 4.580 4.442 4.384 4.473 . 0 0 "[ . 1 .]" 1
991 2 52 LEU H 2 53 LEU HG 4.010 . 6.220 7.187 6.475 7.597 1.377 13 14 "[**-******* *+**]" 1
992 2 52 LEU QD 2 53 LEU H 4.090 . 6.380 2.834 2.672 3.019 . 0 0 "[ . 1 .]" 1
993 2 53 LEU H 2 53 LEU QB 3.440 . 5.080 2.666 2.577 2.758 . 0 0 "[ . 1 .]" 1
994 2 53 LEU H 2 53 LEU HG 3.330 . 4.860 4.844 4.664 4.980 0.120 12 0 "[ . 1 .]" 1
995 2 53 LEU QB 2 54 GLY H 3.120 . 4.450 3.378 2.584 3.675 . 0 0 "[ . 1 .]" 1
996 2 53 LEU HG 2 54 GLY H 3.920 . 6.040 3.576 2.448 4.318 . 0 0 "[ . 1 .]" 1
997 2 53 LEU HA 2 62 GLN QB 3.260 . 4.720 19.122 18.154 19.511 14.791 9 15 [***-****+******] 1
998 2 53 LEU QB 2 62 GLN HA 3.440 . 5.080 19.349 18.945 19.619 14.539 7 15 [***-**+********] 1
999 2 53 LEU QB 2 62 GLN QB 3.830 . 5.870 18.613 18.018 18.896 13.026 6 15 [***-*+*********] 1
1000 2 53 LEU HG 2 62 GLN QB 4.280 . 6.760 21.235 19.502 22.245 15.485 3 15 [**+-***********] 1
1001 2 54 GLY H 2 60 ALA MB 3.650 . 5.500 15.494 15.063 15.862 10.362 3 15 [**+***********-] 1
1002 2 55 ILE HA 2 55 ILE QG 3.080 . 4.370 2.213 2.185 2.252 . 0 0 "[ . 1 .]" 1
1003 2 56 GLN HA 2 56 GLN QB 2.630 . 3.460 2.168 2.126 2.216 . 0 0 "[ . 1 .]" 1
1004 2 56 GLN HA 2 56 GLN QG 2.980 . 4.160 3.387 3.039 3.490 . 0 0 "[ . 1 .]" 1
1005 2 57 HIS H 2 57 HIS QB 3.260 . 4.720 2.289 2.173 2.678 . 0 0 "[ . 1 .]" 1
1006 2 57 HIS QB 2 59 ARG H 3.280 . 4.760 2.794 2.457 3.055 . 0 0 "[ . 1 .]" 1
1007 2 57 HIS QB 2 60 ALA HA 3.190 . 4.590 6.117 5.853 6.263 1.673 6 15 [*****+********-] 1
1008 2 57 HIS QB 2 60 ALA MB 3.480 . 4.080 3.897 3.569 3.953 . 0 0 "[ . 1 .]" 1
1009 2 57 HIS QB 2 61 SER H 3.920 . 6.040 7.139 6.895 7.389 1.349 11 15 [**********+***-] 1
1010 2 59 ARG HA 2 59 ARG HG2 2.850 . 3.890 3.313 2.421 3.849 . 0 0 "[ . 1 .]" 1
1011 2 59 ARG HA 2 59 ARG HG3 2.850 . 3.890 3.007 2.279 3.809 . 0 0 "[ . 1 .]" 1
1012 2 59 ARG HA 2 59 ARG QG 3.030 . 4.260 2.610 2.255 3.318 . 0 0 "[ . 1 .]" 1
1013 2 59 ARG H 2 59 ARG HB2 2.810 . 3.830 2.623 2.104 3.657 . 0 0 "[ . 1 .]" 1
1014 2 59 ARG H 2 59 ARG HB3 2.810 . 3.830 3.073 2.432 3.670 . 0 0 "[ . 1 .]" 1
1015 2 59 ARG H 2 59 ARG QB 3.010 . 4.220 2.346 2.086 2.667 . 0 0 "[ . 1 .]" 1
1016 2 59 ARG HA 2 60 ALA HA 3.330 . 4.870 4.720 4.646 4.793 . 0 0 "[ . 1 .]" 1
1017 2 59 ARG QG 2 83 GLN H 3.190 . 4.590 14.156 11.690 15.026 10.436 10 15 [*-*******+*****] 1
1018 2 60 ALA HA 2 61 SER H 2.560 . 3.330 2.467 2.387 2.590 . 0 0 "[ . 1 .]" 1
1019 2 60 ALA MB 2 61 SER H 2.930 . 3.980 2.309 2.152 2.490 . 0 0 "[ . 1 .]" 1
1020 2 61 SER HA 2 62 GLN H 2.680 . 3.560 3.554 3.452 3.624 0.064 4 0 "[ . 1 .]" 1
1021 2 61 SER HA 2 80 PHE HA 2.880 . 3.960 20.512 19.721 21.121 17.161 4 15 [**-+***********] 1
1022 2 61 SER HA 2 80 PHE H 3.270 . 4.740 20.767 19.846 21.467 16.727 11 15 [**-*******+****] 1
1023 2 61 SER HA 2 80 PHE QB 3.770 . 5.740 17.034 16.241 17.699 11.959 4 15 [**-+***********] 1
1024 2 61 SER H 2 80 PHE QB 4.010 . 6.220 17.293 17.054 17.535 11.315 4 15 [***+***-*******] 1
1025 2 61 SER HA 2 81 THR H 3.070 . 4.340 18.828 18.102 19.414 15.074 4 15 [**-+***********] 1
1026 2 62 GLN HA 2 79 VAL H 3.410 . 5.020 21.320 20.870 21.611 16.591 11 15 [*********-+****] 1
1027 2 62 GLN H 2 79 VAL H 2.830 . 3.850 23.105 22.761 23.325 19.475 11 15 [*********-+****] 1
1028 2 62 GLN H 2 80 PHE HA 3.030 . 4.260 18.506 18.349 18.677 14.417 2 15 [*+-************] 1
1029 2 62 GLN QE 2 81 THR HB 4.540 . 7.270 15.156 13.121 16.238 8.968 7 15 [-*****+********] 1
1030 2 62 GLN QE 2 91 LYS HA 4.190 . 6.580 9.697 8.541 11.245 4.665 11 15 [**********+-***] 1
1031 2 62 GLN QE 2 91 LYS QB 4.380 . 6.960 8.759 8.004 10.235 3.275 2 15 [*+************-] 1
1032 2 62 GLN QE 2 91 LYS QD 4.640 . 7.480 11.025 9.982 12.242 4.762 2 15 [*+**********-**] 1
1033 2 62 GLN QE 2 93 VAL QG 4.290 . 6.780 6.417 5.810 7.985 1.205 2 1 "[ + . 1 .]" 1
1034 2 64 THR H 2 77 THR H 2.880 . 3.960 23.783 23.663 23.929 19.969 7 15 [***-**+********] 1
1035 2 65 PHE HA 2 66 GLY H 2.590 . 3.380 2.247 2.195 2.339 . 0 0 "[ . 1 .]" 1
1036 2 65 PHE H 2 66 GLY H 3.190 . 4.580 4.330 4.258 4.405 . 0 0 "[ . 1 .]" 1
1037 2 65 PHE HA 2 76 SER HA 2.960 . 4.120 21.485 21.383 21.630 17.510 13 15 [*******-****+**] 1
1038 2 65 PHE HA 2 76 SER HG 4.020 . 6.240 22.202 20.364 23.322 17.082 13 15 [*******-****+**] 1
1039 2 65 PHE HA 2 77 THR H 3.030 . 4.260 19.255 19.128 19.405 15.145 13 15 [****-*******+**] 1
1040 2 66 GLY H 2 75 GLU H 2.890 . 3.980 24.125 24.005 24.297 20.317 12 15 [***********+*-*] 1
1041 2 66 GLY H 2 76 SER HA 3.220 . 4.640 19.463 19.337 19.611 14.971 11 15 [****-*****+****] 1
1042 2 67 PHE H 2 67 PHE QB 2.810 . 3.820 3.301 3.251 3.360 . 0 0 "[ . 1 .]" 1
1043 2 67 PHE HA 2 68 THR H 2.400 . 3.000 2.270 2.227 2.355 . 0 0 "[ . 1 .]" 1
1044 2 67 PHE QB 2 68 THR H 3.200 . 4.600 2.608 2.479 2.711 . 0 0 "[ . 1 .]" 1
1045 2 67 PHE HA 2 74 SER HA 3.010 . 4.220 20.011 19.800 20.247 16.028 12 15 [********-**+***] 1
1046 2 67 PHE HA 2 75 GLU H 3.280 . 4.760 19.308 19.140 19.495 14.735 12 15 [********-**+***] 1
1047 2 68 THR H 2 69 VAL H 3.210 . 4.620 4.555 4.535 4.580 . 0 0 "[ . 1 .]" 1
1048 2 68 THR HB 2 69 VAL H 3.460 . 5.130 3.574 3.492 3.647 . 0 0 "[ . 1 .]" 1
1049 2 68 THR HB 2 71 TRP HA 4.000 . 6.200 9.342 9.212 9.493 3.293 15 15 [***-**********+] 1
1050 2 68 THR HB 2 71 TRP QB 3.760 . 5.720 9.423 9.261 9.622 3.902 9 15 [***-****+******] 1
1051 2 68 THR HB 2 71 TRP H 3.080 . 4.360 7.697 7.495 7.875 3.515 9 15 [***-****+******] 1
1052 2 68 THR H 2 73 PHE QB 3.650 . 5.500 16.307 15.984 16.671 11.171 14 15 [********-****+*] 1
1053 2 68 THR H 2 73 PHE H 3.190 . 4.580 15.442 15.150 15.826 11.246 14 15 [********-****+*] 1
1054 2 68 THR HB 2 73 PHE H 3.620 . 5.440 13.435 13.160 13.915 8.475 14 15 [*******-*****+*] 1
1055 2 68 THR H 2 74 SER HA 2.890 . 3.970 17.967 17.786 18.113 14.143 12 15 [********-**+***] 1
1056 2 68 THR H 2 75 GLU H 3.440 . 5.080 17.226 17.067 17.424 12.344 13 15 [********-***+**] 1
1057 2 69 VAL H 2 70 ASN H 2.890 . 3.970 4.248 4.190 4.314 0.344 14 0 "[ . 1 .]" 1
1058 2 69 VAL H 2 71 TRP H 2.940 . 4.080 5.929 5.784 6.097 2.017 11 15 [*********-+****] 1
1059 2 70 ASN HA 2 70 ASN QD 3.880 . 5.960 3.179 1.916 4.052 . 0 0 "[ . 1 .]" 1
1060 2 70 ASN H 2 70 ASN QB 2.940 . 3.760 2.306 2.181 2.531 . 0 0 "[ . 1 .]" 1
1061 2 70 ASN H 2 71 TRP H 2.480 . 3.150 4.413 4.312 4.471 1.321 14 15 [*******-*****+*] 1
1062 2 70 ASN QD 2 71 TRP HA 4.270 . 6.740 5.335 4.434 6.045 . 0 0 "[ . 1 .]" 1
1063 2 70 ASN QD 2 71 TRP QB 4.060 . 6.320 5.382 4.170 6.302 . 0 0 "[ . 1 .]" 1
1064 2 71 TRP H 2 71 TRP QB 2.920 . 4.000 2.522 2.462 2.576 . 0 0 "[ . 1 .]" 1
1065 2 71 TRP HA 2 72 LYS QB 3.250 . 4.710 4.278 3.986 4.554 . 0 0 "[ . 1 .]" 1
1066 2 71 TRP HA 2 72 LYS HG2 3.650 . 5.500 3.657 3.223 4.153 . 0 0 "[ . 1 .]" 1
1067 2 71 TRP HA 2 72 LYS HG3 3.130 . 4.460 4.219 3.482 5.356 0.896 4 1 "[ +. 1 .]" 1
1068 2 72 LYS HA 2 72 LYS HG2 2.540 . 3.280 2.790 2.262 3.288 0.008 4 0 "[ . 1 .]" 1
1069 2 72 LYS HA 2 72 LYS HG3 2.540 . 3.270 3.711 3.384 3.854 0.584 1 5 "[+ -. * 1 * *.]" 1
1070 2 72 LYS QB 2 100 LEU QB 3.060 . 4.320 12.211 11.881 12.622 8.302 9 15 [*******-+******] 1
1071 2 73 PHE H 2 73 PHE QB 2.890 . 3.980 2.649 2.583 2.755 . 0 0 "[ . 1 .]" 1
1072 2 73 PHE QB 2 74 SER H 2.890 . 3.970 3.755 3.685 3.850 . 0 0 "[ . 1 .]" 1
1073 2 73 PHE H 2 74 SER H 3.170 . 4.540 2.456 2.279 2.569 . 0 0 "[ . 1 .]" 1
1074 2 73 PHE QB 2 74 SER HA 3.520 . 5.250 4.972 4.867 5.071 . 0 0 "[ . 1 .]" 1
1075 2 74 SER HA 2 75 GLU H 2.590 . 3.380 2.313 2.255 2.375 . 0 0 "[ . 1 .]" 1
1076 2 74 SER HA 2 75 GLU QG 3.560 . 5.320 4.148 3.864 4.254 . 0 0 "[ . 1 .]" 1
1077 2 74 SER H 2 75 GLU H 3.230 . 4.670 4.157 3.982 4.304 . 0 0 "[ . 1 .]" 1
1078 2 74 SER H 2 75 GLU QG 3.910 . 6.020 4.935 4.703 5.114 . 0 0 "[ . 1 .]" 1
1079 2 74 SER H 2 98 TRP H 3.120 . 4.450 18.578 18.327 18.794 14.344 15 15 [**-***********+] 1
1080 2 75 GLU HA 2 75 GLU QG 3.130 . 4.460 2.206 2.129 2.317 . 0 0 "[ . 1 .]" 1
1081 2 75 GLU H 2 75 GLU QG 3.290 . 4.790 2.617 2.291 2.824 . 0 0 "[ . 1 .]" 1
1082 2 75 GLU HA 2 76 SER HG 4.050 . 6.300 4.580 3.764 6.587 0.287 15 0 "[ . 1 .]" 1
1083 2 75 GLU H 2 76 SER H 3.210 . 4.620 4.469 4.381 4.636 0.016 11 0 "[ . 1 .]" 1
1084 2 75 GLU QG 2 76 SER H 3.120 . 4.450 4.046 3.938 4.220 . 0 0 "[ . 1 .]" 1
1085 2 75 GLU QG 2 95 LYS HA 4.060 . 6.320 24.765 24.599 24.984 18.664 1 15 [+*********-****] 1
1086 2 75 GLU QG 2 95 LYS QZ 3.440 . 5.080 24.090 22.995 24.480 19.400 5 15 [****+*-********] 1
1087 2 75 GLU QG 2 96 THR HA 4.160 . 6.520 22.494 22.309 22.678 16.158 10 15 [*********+-****] 1
1088 2 75 GLU QG 2 96 THR H 3.360 . 4.920 23.003 22.804 23.232 18.312 1 15 [+*********-****] 1
1089 2 75 GLU HA 2 97 MET HA 3.000 . 4.210 20.227 19.986 20.460 16.250 10 15 [***-*****+*****] 1
1090 2 75 GLU HA 2 97 MET QB 3.930 . 6.060 18.237 18.057 18.431 12.371 10 15 [******-**+*****] 1
1091 2 75 GLU QG 2 97 MET HA 3.080 . 4.360 20.314 20.101 20.553 16.193 10 15 [*********+-****] 1
1092 2 75 GLU QG 2 97 MET H 3.710 . 5.630 20.791 20.595 21.062 15.432 10 15 [*********+-****] 1
1093 2 75 GLU QG 2 97 MET QB 3.530 . 5.260 18.254 18.076 18.466 13.206 10 15 [*********+-****] 1
1094 2 75 GLU HA 2 98 TRP H 3.270 . 4.740 18.305 18.119 18.512 13.772 10 15 [**-******+*****] 1
1095 2 75 GLU QG 2 98 TRP H 3.920 . 6.040 18.582 18.387 18.799 12.759 10 15 [*********+-****] 1
1096 2 76 SER H 2 76 SER HG 3.730 . 5.660 3.427 2.545 4.925 . 0 0 "[ . 1 .]" 1
1097 2 76 SER HA 2 77 THR H 2.690 . 3.570 2.339 2.244 2.383 . 0 0 "[ . 1 .]" 1
1098 2 76 SER HG 2 77 THR HA 4.000 . 6.200 5.521 4.766 6.311 0.111 13 0 "[ . 1 .]" 1
1099 2 76 SER HG 2 95 LYS HA 4.250 . 6.710 22.088 19.835 23.427 16.717 6 15 [*****+*-*******] 1
1100 2 76 SER H 2 96 THR H 3.000 . 4.200 21.260 21.096 21.416 17.216 14 15 [*************+-] 1
1101 2 76 SER HG 2 96 THR H 3.900 . 6.000 20.069 17.732 21.393 15.393 6 15 [*****+*-*******] 1
1102 2 77 THR HA 2 93 VAL HB 3.190 . 4.590 23.146 22.985 23.398 18.808 8 15 [**-****+*******] 1
1103 2 78 THR HA 2 78 THR MG 3.330 . 4.860 2.040 1.978 2.233 . 0 0 "[ . 1 .]" 1
1104 2 78 THR H 2 78 THR MG 3.410 . 5.020 3.613 3.325 3.687 . 0 0 "[ . 1 .]" 1
1105 2 78 THR HA 2 79 VAL H 2.620 . 3.440 2.165 2.093 2.407 . 0 0 "[ . 1 .]" 1
1106 2 78 THR HA 2 79 VAL HA 3.550 . 5.300 4.425 4.386 4.503 . 0 0 "[ . 1 .]" 1
1107 2 78 THR HB 2 79 VAL H 3.140 . 4.480 3.720 2.204 4.042 . 0 0 "[ . 1 .]" 1
1108 2 78 THR H 2 79 VAL H 3.040 . 4.280 4.285 4.212 4.411 0.131 10 0 "[ . 1 .]" 1
1109 2 78 THR MG 2 79 VAL H 3.490 . 5.180 2.708 2.529 3.379 . 0 0 "[ . 1 .]" 1
1110 2 78 THR H 2 93 VAL HA 3.070 . 4.340 21.283 21.025 21.569 17.229 6 15 [*****+*-*******] 1
1111 2 78 THR H 2 93 VAL HB 3.000 . 4.200 21.361 21.252 21.482 17.282 13 15 [**-*********+**] 1
1112 2 79 VAL H 2 80 PHE H 3.170 . 4.540 4.505 4.238 4.557 0.017 14 0 "[ . 1 .]" 1
1113 2 79 VAL H 2 93 VAL HB 2.900 . 4.000 19.071 18.405 19.289 15.289 1 15 [+********-*****] 1
1114 2 79 VAL H 2 93 VAL QG 3.190 . 4.590 15.023 14.475 15.469 10.879 1 15 [+-*************] 1
1115 2 79 VAL HA 2 93 VAL HA 3.300 . 4.800 18.159 17.917 18.428 13.628 7 15 [******+*******-] 1
1116 2 79 VAL HA 2 93 VAL QG 3.830 . 5.870 14.304 13.736 14.696 8.826 6 15 [*****+********-] 1
1117 2 79 VAL HA 2 94 LEU H 3.440 . 5.090 16.011 15.786 16.238 11.148 7 15 [******+*******-] 1
1118 2 80 PHE H 2 80 PHE QB 2.920 . 4.040 2.508 2.389 2.648 . 0 0 "[ . 1 .]" 1
1119 2 80 PHE H 2 92 GLU H 3.130 . 4.460 20.901 20.647 21.190 16.730 6 15 [*****+*-*******] 1
1120 2 80 PHE H 2 93 VAL HA 3.020 . 4.240 16.182 15.906 16.427 12.187 7 15 [*-****+********] 1
1121 2 80 PHE H 2 93 VAL QG 3.320 . 4.840 12.785 12.262 13.174 8.334 6 15 [*-***+*********] 1
1122 2 81 THR H 2 81 THR HB 3.120 . 4.450 3.635 3.445 3.770 . 0 0 "[ . 1 .]" 1
1123 2 81 THR HA 2 82 GLY H 2.550 . 3.300 2.181 2.121 2.230 . 0 0 "[ . 1 .]" 1
1124 2 81 THR HB 2 82 GLY H 3.530 . 5.260 3.659 3.477 3.919 . 0 0 "[ . 1 .]" 1
1125 2 81 THR HA 2 91 LYS HA 2.950 . 4.100 20.348 20.190 20.544 16.444 5 15 [****+********-*] 1
1126 2 81 THR HA 2 91 LYS QD 3.650 . 5.500 19.854 19.292 20.195 14.695 5 15 [**-*+**********] 1
1127 2 81 THR H 2 91 LYS QD 4.460 . 7.120 19.725 19.068 20.189 13.069 13 15 [***-********+**] 1
1128 2 81 THR HB 2 91 LYS QD 3.970 . 6.140 20.701 20.117 21.052 14.912 13 15 [***-********+**] 1
1129 2 81 THR HA 2 92 GLU H 3.150 . 4.500 18.217 18.010 18.389 13.889 10 15 [*******-*+*****] 1
1130 2 82 GLY H 2 83 GLN H 3.190 . 4.580 4.457 4.321 4.508 . 0 0 "[ . 1 .]" 1
1131 2 82 GLY H 2 90 GLY H 2.770 . 3.740 19.987 19.828 20.108 16.368 6 15 [*****+****-****] 1
1132 2 82 GLY H 2 91 LYS QD 4.020 . 6.240 18.156 17.571 18.470 12.230 13 15 [***-********+**] 1
1133 2 82 GLY H 2 92 GLU H 2.980 . 4.170 16.261 16.005 16.484 12.314 1 15 [+**-***********] 1
1134 2 83 GLN HA 2 83 GLN QG 2.900 . 4.000 2.332 2.143 2.543 . 0 0 "[ . 1 .]" 1
1135 2 83 GLN H 2 83 GLN QG 3.470 . 5.140 4.061 3.990 4.199 . 0 0 "[ . 1 .]" 1
1136 2 83 GLN HA 2 84 CYS H 2.440 . 3.080 2.128 2.017 2.184 . 0 0 "[ . 1 .]" 1
1137 2 83 GLN H 2 84 CYS H 3.090 . 4.380 4.452 4.340 4.545 0.165 13 0 "[ . 1 .]" 1
1138 2 83 GLN QG 2 84 CYS HA 3.670 . 5.550 4.307 3.889 5.043 . 0 0 "[ . 1 .]" 1
1139 2 83 GLN QG 2 84 CYS H 3.230 . 4.660 2.590 2.238 3.071 . 0 0 "[ . 1 .]" 1
1140 2 83 GLN QG 2 87 ASP H 3.250 . 4.710 9.529 8.986 10.007 5.297 12 15 [***-*******+***] 1
1141 2 83 GLN HA 2 88 ARG QB 3.460 . 5.120 15.419 15.045 15.596 10.476 9 15 [****-***+******] 1
1142 2 83 GLN QG 2 88 ARG H 3.400 . 5.000 11.630 11.211 12.384 7.384 14 15 [-************+*] 1
1143 2 83 GLN HA 2 89 ASN HA 2.670 . 3.540 19.090 18.837 19.322 15.782 15 15 [*******-******+] 1
1144 2 83 GLN QG 2 89 ASN HA 3.370 . 4.940 15.579 15.142 16.057 11.117 14 15 [-************+*] 1
1145 2 83 GLN HA 2 90 GLY H 2.890 . 3.970 15.822 15.587 16.057 12.087 15 15 [****-*********+] 1
1146 2 83 GLN QG 2 90 GLY H 3.920 . 6.040 12.734 12.220 13.150 7.110 12 15 [-**********+***] 1
1147 2 84 CYS H 2 84 CYS HB2 2.790 . 3.780 2.828 2.000 3.630 . 0 0 "[ . 1 .]" 1
1148 2 84 CYS H 2 84 CYS HB3 2.790 . 3.780 2.630 2.462 2.876 . 0 0 "[ . 1 .]" 1
1149 2 84 CYS H 2 84 CYS QB 3.000 . 4.200 2.375 1.953 2.770 . 0 0 "[ . 1 .]" 1
1150 2 84 CYS HA 2 85 PHE HA 3.130 . 4.460 4.483 4.430 4.588 0.128 1 0 "[ . 1 .]" 1
1151 2 84 CYS HA 2 85 PHE QB 3.750 . 5.700 4.780 4.573 4.935 . 0 0 "[ . 1 .]" 1
1152 2 84 CYS QB 2 85 PHE H 3.550 . 5.300 3.684 3.307 3.968 . 0 0 "[ . 1 .]" 1
1153 2 84 CYS QB 2 85 PHE QD 4.420 . 7.040 5.158 4.957 5.347 . 0 0 "[ . 1 .]" 1
1154 2 84 CYS H 2 87 ASP H 3.060 . 4.320 10.471 10.275 10.653 6.333 13 15 [**********-*+**] 1
1155 2 84 CYS HA 2 88 ARG QB 3.610 . 5.420 12.951 12.636 13.302 7.882 13 15 [*****-******+**] 1
1156 2 84 CYS H 2 88 ARG QB 2.960 . 4.120 14.384 13.981 14.493 10.373 1 15 [+***-**********] 1
1157 2 84 CYS H 2 88 ARG H 2.920 . 4.040 13.728 13.558 13.851 9.811 13 15 [****-*******+**] 1
1158 2 84 CYS QB 2 88 ARG QB 3.370 . 4.940 12.507 12.308 12.719 7.779 11 15 [*******-**+****] 1
1159 2 84 CYS QB 2 88 ARG H 3.420 . 5.040 11.852 11.492 12.013 6.973 10 15 [*******-*+*****] 1
1160 2 84 CYS H 2 89 ASN HA 3.070 . 4.340 17.508 17.301 17.717 13.377 15 15 [**********-***+] 1
1161 2 85 PHE HA 2 85 PHE QD 3.480 . 5.160 3.076 2.881 3.218 . 0 0 "[ . 1 .]" 1
1162 2 85 PHE HA 2 86 ILE HA 3.430 . 5.060 4.396 4.318 4.494 . 0 0 "[ . 1 .]" 1
1163 2 85 PHE QB 2 86 ILE HA 3.510 . 5.220 3.910 3.853 4.011 . 0 0 "[ . 1 .]" 1
1164 2 85 PHE QB 2 86 ILE H 3.250 . 4.710 2.197 2.089 2.346 . 0 0 "[ . 1 .]" 1
1165 2 85 PHE QD 2 86 ILE H 3.490 . 5.180 3.928 3.760 4.057 . 0 0 "[ . 1 .]" 1
1166 2 85 PHE QB 2 87 ASP H 3.750 . 5.700 4.294 4.116 4.417 . 0 0 "[ . 1 .]" 1
1167 2 87 ASP H 2 88 ARG QG 3.550 . 5.300 6.653 5.826 7.516 2.216 10 15 [*********+****-] 1
1168 2 88 ARG QB 2 88 ARG HE 3.120 . 4.290 3.495 2.099 4.328 0.038 12 0 "[ . 1 .]" 1
1169 2 88 ARG H 2 88 ARG QG 2.980 . 4.160 3.156 2.238 4.112 . 0 0 "[ . 1 .]" 1
1170 2 89 ASN H 2 89 ASN QB 3.000 . 4.210 2.176 2.049 2.308 . 0 0 "[ . 1 .]" 1
1171 2 89 ASN HA 2 90 GLY H 2.450 . 3.100 3.423 3.331 3.526 0.426 7 0 "[ . 1 .]" 1
1172 2 89 ASN HB2 2 90 GLY H 3.110 . 4.420 4.124 3.932 4.281 . 0 0 "[ . 1 .]" 1
1173 2 89 ASN HB3 2 90 GLY H 3.110 . 4.420 3.373 2.876 3.692 . 0 0 "[ . 1 .]" 1
1174 2 89 ASN H 2 90 GLY H 3.110 . 4.420 2.600 2.386 2.807 . 0 0 "[ . 1 .]" 1
1175 2 89 ASN QB 2 90 GLY H 3.270 . 4.750 3.221 2.809 3.465 . 0 0 "[ . 1 .]" 1
1176 2 89 ASN QB 2 119 ASN HA 4.010 . 6.220 18.330 18.003 18.722 12.502 7 15 [******+****-***] 1
1177 2 89 ASN QB 2 120 ILE H 3.820 . 5.840 16.633 16.285 16.981 11.141 7 15 [******+****-***] 1
1178 2 90 GLY H 2 91 LYS QD 4.330 . 6.860 6.017 5.727 6.423 . 0 0 "[ . 1 .]" 1
1179 2 91 LYS HA 2 91 LYS QD 3.660 . 5.460 3.576 2.167 4.280 . 0 0 "[ . 1 .]" 1
1180 2 91 LYS QB 2 91 LYS QD 3.280 . 4.760 2.490 2.093 2.891 . 0 0 "[ . 1 .]" 1
1181 2 91 LYS H 2 91 LYS QD 3.730 . 5.660 4.565 4.207 4.945 . 0 0 "[ . 1 .]" 1
1182 2 91 LYS HA 2 92 GLU H 2.620 . 3.440 2.375 2.244 2.603 . 0 0 "[ . 1 .]" 1
1183 2 91 LYS H 2 92 GLU H 3.250 . 4.710 4.521 4.409 4.713 0.003 5 0 "[ . 1 .]" 1
1184 2 91 LYS QD 2 92 GLU H 4.160 . 6.450 4.516 3.580 5.187 . 0 0 "[ . 1 .]" 1
1185 2 91 LYS QD 2 93 VAL QG 4.300 . 6.800 5.100 4.717 6.020 . 0 0 "[ . 1 .]" 1
1186 2 91 LYS QB 2 118 TYR HA 3.230 . 4.660 16.982 16.778 17.113 12.453 1 15 [+**********-***] 1
1187 2 91 LYS QB 2 118 TYR H 2.940 . 4.080 18.536 18.326 18.741 14.661 1 15 [+**********-***] 1
1188 2 91 LYS QB 2 118 TYR QD 4.320 . 6.840 14.004 13.639 14.292 7.452 14 15 [*****-*******+*] 1
1189 2 91 LYS H 2 118 TYR QB 3.070 . 4.340 17.853 17.472 18.257 13.917 5 15 [****+******-***] 1
1190 2 91 LYS H 2 118 TYR H 3.000 . 4.200 22.651 22.264 23.095 18.895 5 15 [****+******-***] 1
1191 2 91 LYS H 2 118 TYR QD 4.710 . 7.630 17.382 16.754 17.688 10.058 5 15 [****+-*********] 1
1192 2 91 LYS QD 2 118 TYR H 4.060 . 6.320 19.876 19.099 20.957 14.637 13 15 [***-********+**] 1
1193 2 91 LYS QD 2 118 TYR HA 4.640 . 7.480 18.557 17.851 19.556 12.076 13 15 [***-********+**] 1
1194 2 91 LYS QD 2 118 TYR QB 3.840 . 5.880 16.041 15.284 17.038 11.158 1 15 [+**-***********] 1
1195 2 91 LYS QD 2 118 TYR QD 5.120 . 8.440 15.247 14.423 16.350 7.910 1 15 [+**-***********] 1
1196 2 91 LYS QB 2 119 ASN H 3.480 . 5.170 15.177 15.019 15.282 10.112 1 15 [+*********-****] 1
1197 2 92 GLU HA 2 92 GLU HG2 2.900 . 4.000 3.426 2.487 3.822 . 0 0 "[ . 1 .]" 1
1198 2 92 GLU HA 2 92 GLU HG3 2.900 . 4.000 2.695 2.476 3.616 . 0 0 "[ . 1 .]" 1
1199 2 92 GLU H 2 92 GLU HB2 2.770 . 3.740 2.422 2.246 2.674 . 0 0 "[ . 1 .]" 1
1200 2 92 GLU H 2 92 GLU QG 3.270 . 4.740 3.582 3.227 4.085 . 0 0 "[ . 1 .]" 1
1201 2 92 GLU HA 2 93 VAL H 2.580 . 3.360 2.175 2.103 2.240 . 0 0 "[ . 1 .]" 1
1202 2 92 GLU HA 2 93 VAL QG 3.300 . 4.800 3.272 3.095 3.481 . 0 0 "[ . 1 .]" 1
1203 2 92 GLU HB3 2 93 VAL H 2.990 . 4.180 2.911 2.621 3.410 . 0 0 "[ . 1 .]" 1
1204 2 93 VAL HA 2 93 VAL QG 3.130 . 4.460 2.350 2.152 2.422 . 0 0 "[ . 1 .]" 1
1205 2 93 VAL H 2 93 VAL QG 3.280 . 4.760 2.394 2.213 2.559 . 0 0 "[ . 1 .]" 1
1206 2 93 VAL HA 2 94 LEU HA 3.270 . 4.740 4.513 4.485 4.540 . 0 0 "[ . 1 .]" 1
1207 2 93 VAL HA 2 94 LEU HB2 3.320 . 4.840 4.606 4.223 4.818 . 0 0 "[ . 1 .]" 1
1208 2 93 VAL HB 2 94 LEU H 2.740 . 3.680 2.777 2.453 3.209 . 0 0 "[ . 1 .]" 1
1209 2 93 VAL H 2 94 LEU H 3.210 . 4.620 4.387 4.330 4.429 . 0 0 "[ . 1 .]" 1
1210 2 93 VAL QG 2 94 LEU H 3.550 . 5.300 2.790 2.090 3.215 . 0 0 "[ . 1 .]" 1
1211 2 93 VAL H 2 118 TYR H 3.190 . 4.590 17.209 16.993 17.366 12.776 3 15 [**+********-***] 1
1212 2 93 VAL QG 2 118 TYR H 3.600 . 5.400 11.055 10.334 11.631 6.231 1 15 [+*************-] 1
1213 2 93 VAL QG 2 118 TYR QD 4.430 . 7.060 7.619 6.892 8.241 1.181 14 9 "[* * .-* **** +.]" 1
1214 2 93 VAL QG 2 118 TYR QE 4.820 . 7.840 7.999 7.074 8.768 0.928 14 8 "[* * . - **** +.]" 1
1215 2 94 LEU H 2 94 LEU HB3 2.900 . 4.000 3.710 3.550 3.785 . 0 0 "[ . 1 .]" 1
1216 2 94 LEU HA 2 95 LYS HA 3.190 . 4.590 4.500 4.461 4.535 . 0 0 "[ . 1 .]" 1
1217 2 94 LEU HA 2 95 LYS QD 3.080 . 4.370 4.317 4.093 4.591 0.221 13 0 "[ . 1 .]" 1
1218 2 94 LEU HA 2 95 LYS H 2.530 . 3.260 2.233 2.187 2.316 . 0 0 "[ . 1 .]" 1
1219 2 94 LEU HB2 2 95 LYS H 2.850 . 3.900 4.265 4.175 4.421 0.521 15 1 "[ . 1 +]" 1
1220 2 94 LEU HB3 2 95 LYS H 2.690 . 3.580 3.553 3.391 3.794 0.214 15 0 "[ . 1 .]" 1
1221 2 94 LEU H 2 95 LYS HA 3.540 . 5.290 4.718 4.550 4.805 . 0 0 "[ . 1 .]" 1
1222 2 94 LEU H 2 95 LYS H 3.290 . 4.790 4.269 4.123 4.343 . 0 0 "[ . 1 .]" 1
1223 2 95 LYS H 2 95 LYS QD 2.780 . 3.760 3.590 3.512 3.784 0.024 13 0 "[ . 1 .]" 1
1224 2 95 LYS H 2 95 LYS QE 3.220 . 4.640 5.308 5.202 5.470 0.830 7 15 [******+******-*] 1
1225 2 95 LYS QD 2 96 THR H 3.650 . 5.500 4.410 4.252 4.639 . 0 0 "[ . 1 .]" 1
1226 2 95 LYS QZ 2 96 THR HA 3.420 . 5.040 8.189 6.110 8.507 3.467 5 15 [****+*-********] 1
1227 2 95 LYS QB 2 96 THR H 3.210 . 4.630 3.330 3.116 3.460 . 0 0 "[ . 1 .]" 1
1228 2 95 LYS QZ 2 97 MET HA 3.360 . 4.920 9.761 7.360 10.269 5.349 5 15 [****+*-********] 1
1229 2 95 LYS QZ 2 97 MET QB 3.280 . 4.760 9.893 7.628 10.319 5.559 5 15 [****+*-********] 1
1230 2 95 LYS QZ 2 97 MET H 3.000 . 4.210 9.765 7.573 10.151 5.941 5 15 [****+*-********] 1
1231 2 95 LYS QE 2 114 THR HA 3.330 . 4.870 20.975 20.582 21.278 16.408 6 15 [*****+*******-*] 1
1232 2 95 LYS QZ 2 114 THR HA 3.370 . 4.940 20.684 18.257 21.126 16.186 5 15 [****+*-********] 1
1233 2 95 LYS H 2 114 THR H 2.810 . 3.820 24.100 23.941 24.275 20.455 3 15 [*-+************] 1
1234 2 95 LYS QD 2 115 ARG HA 3.520 . 5.250 18.344 18.125 18.606 13.356 8 15 [*******+***-***] 1
1235 2 95 LYS QE 2 115 ARG H 2.740 . 3.680 19.155 18.731 19.473 15.793 6 15 [*****+*******-*] 1
1236 2 95 LYS H 2 115 ARG H 3.250 . 4.710 19.808 19.603 19.965 15.255 6 15 [*****+*****-***] 1
1237 2 95 LYS QD 2 116 VAL HB 3.250 . 4.710 15.680 15.411 15.873 11.163 8 15 [*******+***-***] 1
1238 2 95 LYS QE 2 116 VAL HB 3.400 . 5.000 15.772 15.345 16.135 11.135 6 15 [*****+*******-*] 1
1239 2 95 LYS H 2 116 VAL H 3.190 . 4.590 17.875 17.630 18.033 13.443 6 15 [*****+*****-***] 1
1240 2 96 THR HA 2 97 MET HA 3.040 . 4.290 4.427 4.361 4.468 0.178 12 0 "[ . 1 .]" 1
1241 2 96 THR H 2 97 MET HA 3.280 . 4.760 4.974 4.889 5.048 0.288 13 0 "[ . 1 .]" 1
1242 2 96 THR HA 2 113 ALA HA 3.130 . 4.460 21.166 21.010 21.351 16.891 3 15 [**+*****-******] 1
1243 2 96 THR HA 2 114 THR H 2.960 . 4.120 19.419 19.283 19.619 15.499 3 15 [**+-***********] 1
1244 2 96 THR H 2 114 THR H 3.650 . 5.500 20.510 20.316 20.724 15.224 3 15 [*-+************] 1
1245 2 97 MET H 2 97 MET QB 2.950 . 4.100 2.429 2.301 2.621 . 0 0 "[ . 1 .]" 1
1246 2 97 MET H 2 98 TRP H 3.410 . 5.020 4.300 4.245 4.349 . 0 0 "[ . 1 .]" 1
1247 2 97 MET H 2 112 LYS H 3.030 . 4.260 21.457 21.268 21.753 17.493 3 15 [*-+************] 1
1248 2 97 MET QB 2 112 LYS H 3.870 . 5.940 16.954 16.704 17.288 11.348 14 15 [***-*********+*] 1
1249 2 97 MET H 2 113 ALA HA 2.940 . 4.090 18.904 18.732 19.090 15.000 3 15 [**+*****-******] 1
1250 2 97 MET H 2 114 THR H 3.440 . 5.090 17.165 17.026 17.399 12.309 3 15 [**+-***********] 1
1251 2 98 TRP HA 2 98 TRP HD1 3.250 . 4.710 4.144 4.073 4.181 . 0 0 "[ . 1 .]" 1
1252 2 98 TRP H 2 98 TRP HD1 3.640 . 5.480 2.968 2.853 3.065 . 0 0 "[ . 1 .]" 1
1253 2 98 TRP H 2 99 LEU H 3.590 . 5.380 4.440 4.387 4.476 . 0 0 "[ . 1 .]" 1
1254 2 98 TRP QB 2 99 LEU H 3.510 . 5.220 2.308 2.242 2.367 . 0 0 "[ . 1 .]" 1
1255 2 98 TRP HD1 2 99 LEU H 3.350 . 4.910 5.545 5.515 5.574 0.664 9 15 [********+*****-] 1
1256 2 98 TRP HA 2 110 ASP HA 3.540 . 5.280 17.050 16.774 17.211 11.931 3 15 [**+*-**********] 1
1257 2 98 TRP HA 2 110 ASP QB 3.730 . 5.670 16.273 15.607 16.665 10.995 3 15 [*-+************] 1
1258 2 98 TRP HD1 2 110 ASP QB 3.720 . 5.640 18.668 18.013 18.978 13.338 3 15 [*-+************] 1
1259 2 98 TRP QB 2 111 TRP HA 3.890 . 5.980 15.627 15.451 15.869 9.889 6 15 [*-***+*********] 1
1260 2 98 TRP HD1 2 111 TRP HA 3.560 . 5.330 19.076 18.771 19.281 13.951 9 15 [*-******+******] 1
1261 2 99 LEU H 2 99 LEU QB 3.140 . 4.480 2.777 2.712 2.820 . 0 0 "[ . 1 .]" 1
1262 2 99 LEU HA 2 100 LEU H 2.520 . 3.230 2.079 2.037 2.139 . 0 0 "[ . 1 .]" 1
1263 2 99 LEU QB 2 100 LEU H 2.920 . 4.040 3.703 3.653 3.756 . 0 0 "[ . 1 .]" 1
1264 2 99 LEU QB 2 101 ARG QG 4.110 . 6.420 6.242 4.606 6.973 0.553 14 1 "[ . 1 +.]" 1
1265 2 99 LEU HA 2 110 ASP HA 3.650 . 5.500 13.006 12.737 13.170 7.670 3 15 [**+*-**********] 1
1266 2 99 LEU HA 2 110 ASP QB 3.730 . 5.660 12.817 12.175 13.190 7.530 6 15 [*-***+*********] 1
1267 2 99 LEU QB 2 110 ASP QB 3.330 . 4.860 11.224 10.639 11.587 6.727 7 15 [*-****+********] 1
1268 2 99 LEU H 2 110 ASP HA 3.020 . 4.250 14.993 14.703 15.120 10.870 6 15 [****-+*********] 1
1269 2 99 LEU H 2 110 ASP QB 3.420 . 5.040 14.501 13.846 14.890 9.850 6 15 [*-***+*********] 1
1270 2 99 LEU QB 2 110 ASP HA 3.370 . 4.940 11.726 11.492 11.921 6.981 7 15 [****-*+********] 1
1271 2 99 LEU H 2 111 TRP HA 3.130 . 4.460 15.283 15.105 15.504 11.044 6 15 [*-***+*********] 1
1272 2 100 LEU H 2 100 LEU QB 3.060 . 4.330 2.528 2.475 2.620 . 0 0 "[ . 1 .]" 1
1273 2 100 LEU HA 2 101 ARG HA 3.290 . 4.790 4.293 4.233 4.354 . 0 0 "[ . 1 .]" 1
1274 2 100 LEU HA 2 101 ARG H 2.600 . 3.410 1.999 1.928 2.063 . 0 0 "[ . 1 .]" 1
1275 2 100 LEU HA 2 101 ARG QG 4.380 . 6.960 5.357 3.944 5.725 . 0 0 "[ . 1 .]" 1
1276 2 101 ARG HA 2 101 ARG QG 3.380 . 4.960 2.607 2.318 2.937 . 0 0 "[ . 1 .]" 1
1277 2 101 ARG H 2 101 ARG QG 3.410 . 5.020 4.119 3.326 4.323 . 0 0 "[ . 1 .]" 1
1278 2 101 ARG QG 2 102 SER H 3.730 . 5.670 3.355 2.885 4.279 . 0 0 "[ . 1 .]" 1
1279 2 101 ARG HA 2 106 ASP QB 3.390 . 4.980 12.655 12.254 12.916 7.936 3 15 [**+********-***] 1
1280 2 101 ARG QG 2 106 ASP QB 3.150 . 4.500 10.925 10.053 12.530 8.030 7 15 [******+****-***] 1
1281 2 101 ARG QG 2 106 ASP H 4.430 . 7.060 10.283 9.092 12.235 5.175 7 15 [******+****-***] 1
1282 2 101 ARG QG 2 107 ILE HA 3.480 . 5.170 9.467 8.920 10.885 5.715 7 15 [******+*******-] 1
1283 2 101 ARG QG 2 107 ILE H 4.250 . 6.710 11.521 10.674 13.160 6.450 7 15 [******+****-***] 1
1284 2 101 ARG QG 2 107 ILE HB 4.120 . 6.430 11.124 10.545 12.501 6.071 7 15 [******+****-***] 1
1285 2 101 ARG QG 2 109 ASP H 4.120 . 6.450 10.115 9.585 11.616 5.166 7 15 [*-****+********] 1
1286 2 101 ARG HA 2 110 ASP QB 3.630 . 5.460 8.077 7.285 8.593 3.133 3 15 [*-+************] 1
1287 2 101 ARG QG 2 110 ASP QB 3.520 . 5.240 6.535 5.419 7.895 2.655 7 12 "[* ****+ ***-**.]" 1
1288 2 101 ARG QG 2 110 ASP HA 3.820 . 5.840 6.351 5.811 7.668 1.828 7 4 "[ **- + 1 .]" 1
1289 2 101 ARG QG 2 110 ASP H 4.100 . 6.400 8.780 8.255 10.098 3.698 7 15 [*-****+********] 1
1290 2 102 SER H 2 103 SER H 2.810 . 3.830 4.639 4.555 4.757 0.927 8 15 [******-+*******] 1
1291 2 102 SER QB 2 103 SER H 3.190 . 4.580 2.453 1.948 3.195 . 0 0 "[ . 1 .]" 1
1292 2 103 SER H 2 103 SER QB 2.340 . 2.880 2.623 2.359 3.079 0.199 9 0 "[ . 1 .]" 1
1293 2 103 SER HA 2 104 VAL HA 3.260 . 4.720 4.632 4.529 4.797 0.077 15 0 "[ . 1 .]" 1
1294 2 103 SER HA 2 104 VAL HB 3.600 . 5.410 5.588 4.437 6.057 0.647 11 8 "[ * **- **+* .]" 1
1295 2 103 SER HA 2 104 VAL H 2.460 . 3.120 2.347 2.160 2.651 . 0 0 "[ . 1 .]" 1
1296 2 103 SER HA 2 104 VAL QG 3.460 . 5.130 3.843 3.578 4.452 . 0 0 "[ . 1 .]" 1
1297 2 103 SER QB 2 104 VAL QG 4.020 . 5.540 4.741 4.533 5.190 . 0 0 "[ . 1 .]" 1
1298 2 103 SER QB 2 104 VAL H 2.610 . 3.420 3.941 3.737 4.100 0.680 2 8 "[ +* .*** - **]" 1
1299 2 103 SER H 2 104 VAL H 3.230 . 4.670 3.636 3.249 3.837 . 0 0 "[ . 1 .]" 1
1300 2 103 SER HA 2 105 ASN H 2.870 . 3.940 6.180 3.180 6.486 2.546 2 14 "[*+*****-*** ***]" 1
1301 2 103 SER QB 2 105 ASN H 2.720 . 3.640 6.274 3.550 6.858 3.218 7 14 "[***-**+**** ***]" 1
1302 2 104 VAL HA 2 104 VAL QG 2.890 . 3.970 2.145 1.958 2.230 . 0 0 "[ . 1 .]" 1
1303 2 104 VAL H 2 104 VAL HB 2.580 . 3.360 3.375 2.185 3.860 0.500 11 1 "[ . 1+ .]" 1
1304 2 104 VAL H 2 104 VAL QG 2.960 . 4.130 2.173 1.808 2.978 . 0 0 "[ . 1 .]" 1
1305 2 104 VAL HB 2 105 ASN H 3.020 . 4.240 2.784 1.933 4.302 0.062 15 0 "[ . 1 .]" 1
1306 2 104 VAL H 2 105 ASN H 2.840 . 3.880 4.453 2.453 4.732 0.852 14 14 "[********-** *+*]" 1
1307 2 104 VAL QG 2 105 ASN H 3.050 . 4.300 2.616 1.856 3.108 . 0 0 "[ . 1 .]" 1
1308 2 104 VAL QG 2 105 ASN HA 3.770 . 5.750 3.934 3.614 4.536 . 0 0 "[ . 1 .]" 1
1309 2 104 VAL H 2 106 ASP H 3.280 . 4.760 5.660 4.706 6.051 1.291 6 13 "[***-*+**** ***]" 1
1310 2 104 VAL QG 2 106 ASP H 4.050 . 6.300 2.730 1.754 3.606 0.046 1 0 "[ . 1 .]" 1
1311 2 105 ASN H 2 106 ASP H 2.670 . 3.530 2.294 1.807 3.451 0.003 9 0 "[ . 1 .]" 1
1312 2 105 ASN H 2 107 ILE H 3.190 . 4.580 6.593 6.169 7.238 2.658 15 15 [********-*****+] 1
1313 2 106 ASP H 2 106 ASP QB 2.500 . 3.200 2.482 2.318 2.794 . 0 0 "[ . 1 .]" 1
1314 2 106 ASP H 2 107 ILE H 2.580 . 3.360 4.484 4.299 4.562 1.202 8 15 [-******+*******] 1
1315 2 106 ASP HA 2 108 GLY H 3.050 . 4.300 3.892 3.787 3.965 . 0 0 "[ . 1 .]" 1
1316 2 106 ASP H 2 108 GLY H 3.110 . 4.420 4.994 4.814 5.215 0.795 12 10 "[** -.*** **+ *.]" 1
1317 2 106 ASP HA 2 109 ASP H 3.090 . 4.380 4.869 4.717 5.039 0.659 4 6 "[* +- ** * .]" 1
1318 2 107 ILE H 2 107 ILE HB 3.070 . 4.340 2.485 2.379 2.630 . 0 0 "[ . 1 .]" 1
1319 2 107 ILE H 2 108 GLY H 2.660 . 3.520 2.608 2.406 2.785 . 0 0 "[ . 1 .]" 1
1320 2 107 ILE HB 2 108 GLY H 3.250 . 4.700 4.147 4.045 4.235 . 0 0 "[ . 1 .]" 1
1321 2 107 ILE HA 2 110 ASP QB 3.170 . 4.540 3.175 2.971 3.590 . 0 0 "[ . 1 .]" 1
1322 2 107 ILE HB 2 110 ASP QB 4.190 . 6.580 5.275 5.002 5.689 . 0 0 "[ . 1 .]" 1
1323 2 108 GLY H 2 109 ASP H 2.800 . 3.800 2.779 2.618 2.897 . 0 0 "[ . 1 .]" 1
1324 2 108 GLY H 2 110 ASP H 3.140 . 4.480 4.473 4.267 4.578 0.098 5 0 "[ . 1 .]" 1
1325 2 109 ASP H 2 109 ASP QB 3.150 . 4.500 2.540 2.489 2.582 . 0 0 "[ . 1 .]" 1
1326 2 109 ASP HB2 2 110 ASP H 3.250 . 4.710 3.939 3.738 4.069 . 0 0 "[ . 1 .]" 1
1327 2 109 ASP HB3 2 110 ASP H 3.250 . 4.710 4.267 4.165 4.359 . 0 0 "[ . 1 .]" 1
1328 2 109 ASP H 2 110 ASP HA 3.380 . 4.960 4.558 4.473 4.692 . 0 0 "[ . 1 .]" 1
1329 2 109 ASP H 2 110 ASP H 2.490 . 3.180 2.200 2.136 2.353 . 0 0 "[ . 1 .]" 1
1330 2 109 ASP H 2 110 ASP QB 3.290 . 4.780 3.838 3.668 4.133 . 0 0 "[ . 1 .]" 1
1331 2 110 ASP H 2 110 ASP QB 2.910 . 4.020 2.161 2.022 2.299 . 0 0 "[ . 1 .]" 1
1332 2 110 ASP HA 2 111 TRP HA 3.650 . 5.500 4.989 4.928 5.026 . 0 0 "[ . 1 .]" 1
1333 2 110 ASP H 2 111 TRP H 2.750 . 3.690 2.678 2.654 2.713 . 0 0 "[ . 1 .]" 1
1334 2 110 ASP QB 2 111 TRP HA 3.940 . 6.080 4.441 4.097 4.930 . 0 0 "[ . 1 .]" 1
1335 2 110 ASP QB 2 111 TRP H 3.330 . 4.870 2.981 2.641 3.535 . 0 0 "[ . 1 .]" 1
1336 2 111 TRP HA 2 112 LYS H 2.600 . 3.400 3.564 3.521 3.615 0.215 5 0 "[ . 1 .]" 1
1337 2 111 TRP HA 2 112 LYS QB 3.500 . 5.200 5.356 5.232 5.453 0.253 10 0 "[ . 1 .]" 1
1338 2 112 LYS HA 2 112 LYS QD 3.230 . 4.660 4.367 4.166 4.543 . 0 0 "[ . 1 .]" 1
1339 2 112 LYS HA 2 112 LYS QG 2.940 . 4.080 3.374 3.326 3.433 . 0 0 "[ . 1 .]" 1
1340 2 112 LYS H 2 112 LYS HB2 2.890 . 3.970 3.685 3.639 3.745 . 0 0 "[ . 1 .]" 1
1341 2 112 LYS H 2 112 LYS HB3 2.890 . 3.970 2.797 2.516 3.071 . 0 0 "[ . 1 .]" 1
1342 2 113 ALA HA 2 114 THR H 2.520 . 3.240 3.317 3.245 3.364 0.124 11 0 "[ . 1 .]" 1
1343 2 113 ALA H 2 114 THR H 3.210 . 4.620 2.702 2.599 2.762 . 0 0 "[ . 1 .]" 1
1344 2 114 THR H 2 115 ARG H 3.170 . 4.540 4.492 4.456 4.543 0.003 1 0 "[ . 1 .]" 1
1345 2 114 THR HA 2 115 ARG H 2.770 . 3.730 2.151 2.047 2.274 . 0 0 "[ . 1 .]" 1
1346 2 114 THR HA 2 115 ARG QD 4.520 . 7.240 4.983 2.730 6.668 . 0 0 "[ . 1 .]" 1
1347 2 115 ARG HA 2 115 ARG QD 3.980 . 6.170 3.756 3.472 3.931 . 0 0 "[ . 1 .]" 1
1348 2 115 ARG H 2 115 ARG QD 3.750 . 5.710 4.136 2.576 5.220 . 0 0 "[ . 1 .]" 1
1349 2 115 ARG H 2 115 ARG HE 4.430 . 7.060 5.378 4.605 6.658 . 0 0 "[ . 1 .]" 1
1350 2 115 ARG HA 2 116 VAL H 2.600 . 3.400 2.323 2.144 2.473 . 0 0 "[ . 1 .]" 1
1351 2 115 ARG HB2 2 116 VAL H 3.170 . 4.550 4.097 3.453 4.605 0.055 1 0 "[ . 1 .]" 1
1352 2 115 ARG HB3 2 116 VAL H 3.170 . 4.550 3.414 2.776 4.468 . 0 0 "[ . 1 .]" 1
1353 2 115 ARG H 2 116 VAL H 3.200 . 4.600 4.335 4.168 4.527 . 0 0 "[ . 1 .]" 1
1354 2 115 ARG QD 2 116 VAL HA 4.160 . 6.520 6.212 4.981 6.811 0.291 10 0 "[ . 1 .]" 1
1355 2 115 ARG QD 2 116 VAL H 4.110 . 6.420 5.056 4.338 5.439 . 0 0 "[ . 1 .]" 1
1356 2 116 VAL HA 2 117 GLY H 2.650 . 3.500 2.218 2.165 2.285 . 0 0 "[ . 1 .]" 1
1357 2 116 VAL H 2 117 GLY H 3.080 . 4.360 4.481 4.365 4.567 0.207 6 0 "[ . 1 .]" 1
1358 2 117 GLY H 2 118 TYR H 3.290 . 4.790 4.430 4.363 4.529 . 0 0 "[ . 1 .]" 1
1359 2 118 TYR HA 2 118 TYR QD 4.090 . 6.380 3.744 3.670 3.768 . 0 0 "[ . 1 .]" 1
1360 2 118 TYR H 2 118 TYR QD 4.070 . 6.340 2.517 2.346 2.717 . 0 0 "[ . 1 .]" 1
1361 2 118 TYR HA 2 119 ASN H 2.570 . 3.340 2.257 2.217 2.313 . 0 0 "[ . 1 .]" 1
1362 2 118 TYR QB 2 119 ASN H 3.050 . 4.180 2.731 2.533 2.887 . 0 0 "[ . 1 .]" 1
1363 2 119 ASN HA 2 120 ILE HA 3.190 . 4.590 4.504 4.429 4.551 . 0 0 "[ . 1 .]" 1
1364 2 119 ASN HA 2 120 ILE H 2.650 . 3.500 2.247 2.100 2.322 . 0 0 "[ . 1 .]" 1
1365 2 120 ILE HA 2 121 PHE H 2.520 . 3.230 2.122 2.028 2.197 . 0 0 "[ . 1 .]" 1
1366 2 120 ILE H 2 121 PHE H 3.560 . 5.320 4.273 4.142 4.348 . 0 0 "[ . 1 .]" 1
1367 2 121 PHE HA 2 121 PHE QB 2.370 . 2.940 2.346 2.252 2.514 . 0 0 "[ . 1 .]" 1
1368 2 121 PHE HA 2 121 PHE QD 3.400 . 5.000 3.171 2.572 3.456 . 0 0 "[ . 1 .]" 1
1369 2 121 PHE H 2 121 PHE QB 2.420 . 3.030 2.644 2.312 2.846 . 0 0 "[ . 1 .]" 1
1370 2 121 PHE H 2 121 PHE QD 4.110 . 6.420 2.758 2.181 3.569 . 0 0 "[ . 1 .]" 1
1371 2 121 PHE QD 2 122 THR HB 4.170 . 6.540 7.355 6.618 7.618 1.078 8 12 "[*****-*+ ** **.]" 1
1372 2 122 THR HA 2 122 THR HB 2.640 . 3.480 2.507 2.460 2.569 . 0 0 "[ . 1 .]" 1
1373 2 122 THR HA 2 122 THR HG1 3.150 . 4.500 2.273 2.204 2.346 . 0 0 "[ . 1 .]" 1
1374 2 123 ARG HA 2 123 ARG HG2 3.040 . 4.290 2.634 2.532 2.738 . 0 0 "[ . 1 .]" 1
1375 2 124 LEU HA 2 124 LEU HG 3.430 . 5.060 2.274 2.102 2.440 . 0 0 "[ . 1 .]" 1
1376 2 125 ARG HA 2 125 ARG QD 3.020 . 4.250 2.741 2.099 3.404 . 0 0 "[ . 1 .]" 1
1377 2 125 ARG HA 2 126 THR H 2.540 . 3.270 2.696 2.029 3.603 0.333 11 0 "[ . 1 .]" 1
1378 2 125 ARG QB 2 126 THR H 3.570 . 5.340 3.149 1.873 4.142 . 0 0 "[ . 1 .]" 1
1379 3 3 VAL HA 3 3 VAL HB 2.770 . 3.740 2.583 2.432 3.046 . 0 0 "[ . 1 .]" 1
1380 3 3 VAL HA 3 3 VAL QG 3.060 . 4.320 2.246 2.104 2.343 . 0 0 "[ . 1 .]" 1
1381 3 3 VAL H 3 3 VAL HB 3.300 . 4.800 3.349 2.326 3.838 . 0 0 "[ . 1 .]" 1
1382 3 3 VAL HB 3 4 ALA H 3.440 . 5.080 3.838 2.667 4.623 . 0 0 "[ . 1 .]" 1
1383 3 4 ALA HA 3 5 ARG H 2.600 . 3.400 2.862 2.250 3.587 0.187 1 0 "[ . 1 .]" 1
1384 3 4 ALA H 3 5 ARG H 3.120 . 4.440 3.377 1.787 4.640 0.200 9 0 "[ . 1 .]" 1
1385 3 5 ARG HA 3 5 ARG QB 2.670 . 3.540 2.341 1.885 2.545 . 0 0 "[ . 1 .]" 1
1386 3 5 ARG H 3 5 ARG QB 3.180 . 4.560 2.915 2.366 3.546 . 0 0 "[ . 1 .]" 1
1387 3 5 ARG HA 3 6 LYS H 2.560 . 3.320 2.644 2.194 3.550 0.230 10 0 "[ . 1 .]" 1
1388 3 5 ARG HA 3 6 LYS QD 4.020 . 6.240 6.324 4.218 7.125 0.885 15 5 "[ * - ** 1 +]" 1
1389 3 5 ARG QB 3 6 LYS H 3.120 . 4.450 3.721 2.633 4.108 . 0 0 "[ . 1 .]" 1
1390 3 5 ARG HA 3 7 CYS H 2.950 . 4.100 5.947 5.298 6.701 2.601 6 15 [*****+-********] 1
1391 3 6 LYS HA 3 6 LYS QD 3.400 . 5.000 3.737 2.591 3.925 . 0 0 "[ . 1 .]" 1
1392 3 6 LYS H 3 6 LYS QD 4.040 . 6.280 4.674 2.666 5.215 . 0 0 "[ . 1 .]" 1
1393 3 6 LYS QB 3 7 CYS H 2.600 . 3.400 3.318 2.509 3.971 0.571 5 3 "[ + *- 1 .]" 1
1394 3 6 LYS H 3 7 CYS H 2.640 . 3.480 4.148 3.775 4.380 0.900 10 13 "[****.* -*+*****]" 1
1395 3 6 LYS QD 3 7 CYS H 4.310 . 6.820 4.598 3.672 5.276 . 0 0 "[ . 1 .]" 1
1396 3 6 LYS QD 3 23 ILE QG 5.490 . 9.180 10.551 9.200 11.533 2.353 4 12 "[*-*+.** ******.]" 1
1397 3 6 LYS QB 3 29 ARG HE 4.650 . 7.500 19.238 16.571 20.506 13.006 1 15 [+****-*********] 1
1398 3 6 LYS QD 3 29 ARG HE 5.120 . 8.430 18.185 15.594 20.531 12.101 3 15 [**+**-*********] 1
1399 3 6 LYS QD 3 53 LEU QB 3.790 . 5.790 19.132 17.373 20.680 14.890 3 15 [**+***********-] 1
1400 3 6 LYS QD 3 53 LEU HA 4.140 . 6.490 19.176 17.182 20.850 14.360 3 15 [**+***********-] 1
1401 3 6 LYS QD 3 62 GLN QB 4.060 . 6.290 8.557 6.479 9.602 3.312 7 14 "[*** **+*-******]" 1
1402 3 6 LYS QD 3 62 GLN QE 4.290 . 6.780 9.026 7.602 11.440 4.660 1 15 [+*******-******] 1
1403 3 6 LYS QD 3 62 GLN HA 4.580 . 7.360 7.995 6.534 9.223 1.863 3 9 "[**+ . ** 1*-**.]" 1
1404 3 6 LYS QD 3 81 THR HB 4.390 . 6.980 18.801 17.030 20.679 13.699 3 15 [**+***********-] 1
1405 3 6 LYS HA 3 91 LYS QD 3.630 . 5.460 13.161 11.885 13.975 8.515 8 15 [-******+*******] 1
1406 3 6 LYS QD 3 91 LYS QD 4.460 . 7.120 13.494 11.593 15.093 7.973 10 15 [*********+**-**] 1
1407 3 7 CYS HA 3 8 SER H 2.540 . 3.280 2.252 2.111 2.372 . 0 0 "[ . 1 .]" 1
1408 3 7 CYS H 3 8 SER H 3.100 . 4.400 4.429 4.298 4.493 0.093 12 0 "[ . 1 .]" 1
1409 3 7 CYS HA 3 23 ILE QG 4.250 . 6.710 9.492 9.199 9.690 2.980 12 15 [***********+*-*] 1
1410 3 8 SER H 3 9 LEU H 2.950 . 4.100 4.306 4.099 4.448 0.348 15 0 "[ . 1 .]" 1
1411 3 8 SER HA 3 9 LEU H 2.880 . 3.960 2.167 2.069 2.280 . 0 0 "[ . 1 .]" 1
1412 3 8 SER H 3 20 ASN H 2.850 . 3.900 17.829 17.653 17.916 14.016 9 15 [********+**-***] 1
1413 3 9 LEU HA 3 9 LEU QD 3.330 . 4.860 2.267 2.120 2.710 . 0 0 "[ . 1 .]" 1
1414 3 9 LEU HA 3 9 LEU HG 3.060 . 4.320 3.136 2.507 3.383 . 0 0 "[ . 1 .]" 1
1415 3 9 LEU H 3 9 LEU QB 3.040 . 4.280 2.552 2.278 2.781 . 0 0 "[ . 1 .]" 1
1416 3 9 LEU HA 3 10 THR H 2.530 . 3.260 3.509 3.415 3.578 0.318 2 0 "[ . 1 .]" 1
1417 3 9 LEU QB 3 10 THR H 3.140 . 4.480 2.963 2.783 3.247 . 0 0 "[ . 1 .]" 1
1418 3 9 LEU H 3 10 THR H 3.340 . 4.880 2.803 2.613 3.132 . 0 0 "[ . 1 .]" 1
1419 3 9 LEU QD 3 10 THR H 3.600 . 5.400 4.313 4.223 4.386 . 0 0 "[ . 1 .]" 1
1420 3 9 LEU HG 3 10 THR H 2.880 . 3.960 4.570 4.301 4.880 0.920 1 12 "[+***.****** - *]" 1
1421 3 9 LEU HA 3 19 SER HA 2.680 . 3.560 15.352 15.150 15.786 12.226 8 15 [****-**+*******] 1
1422 3 9 LEU QB 3 19 SER HA 3.420 . 5.040 13.741 13.154 13.967 8.927 1 15 [+***-**********] 1
1423 3 9 LEU H 3 19 SER HA 3.460 . 5.120 17.964 17.678 18.388 13.268 8 15 [****-**+*******] 1
1424 3 9 LEU QD 3 19 SER HA 3.710 . 5.620 11.318 11.021 11.630 6.010 8 15 [*-*****+*******] 1
1425 3 9 LEU HG 3 19 SER HA 3.230 . 4.670 16.897 16.098 17.369 12.699 8 15 [-******+*******] 1
1426 3 9 LEU HA 3 20 ASN H 2.900 . 4.000 13.867 13.611 14.122 10.122 3 15 [**+***-********] 1
1427 3 9 LEU QB 3 20 ASN H 3.920 . 6.040 12.344 11.814 12.653 6.613 3 15 [**+*-**********] 1
1428 3 9 LEU QB 3 121 PHE QD 4.630 . 7.460 7.590 7.041 7.958 0.498 1 0 "[ . 1 .]" 1
1429 3 9 LEU QD 3 121 PHE QD 3.650 . 5.500 5.459 5.127 5.799 0.299 9 0 "[ . 1 .]" 1
1430 3 10 THR HA 3 11 GLY H 2.590 . 3.380 2.076 1.994 2.272 . 0 0 "[ . 1 .]" 1
1431 3 10 THR H 3 11 GLY H 3.230 . 4.670 4.424 4.360 4.452 . 0 0 "[ . 1 .]" 1
1432 3 10 THR H 3 19 SER HA 2.830 . 3.870 17.821 17.655 18.060 14.190 8 15 [****-**+*******] 1
1433 3 10 THR HA 3 118 TYR QD 4.680 . 7.560 19.804 19.356 20.236 12.676 14 15 [*************+-] 1
1434 3 10 THR HA 3 120 ILE HA 2.560 . 3.330 15.950 15.392 16.172 12.842 14 15 [*************+-] 1
1435 3 10 THR HA 3 121 PHE HA 3.270 . 4.740 13.693 12.932 13.951 9.211 4 15 [***+**********-] 1
1436 3 10 THR HA 3 121 PHE QB 2.610 . 3.420 10.142 9.614 10.359 6.939 4 15 [***+**********-] 1
1437 3 10 THR HA 3 121 PHE H 2.710 . 3.610 14.032 13.504 14.297 10.687 4 15 [***+**********-] 1
1438 3 10 THR HA 3 121 PHE QD 4.200 . 6.600 10.904 10.285 11.123 4.523 13 15 [************+*-] 1
1439 3 10 THR H 3 121 PHE H 3.400 . 5.000 13.371 12.942 13.687 8.687 1 15 [+***-**********] 1
1440 3 10 THR H 3 121 PHE QD 4.420 . 7.040 10.983 10.566 11.242 4.202 3 15 [**+***********-] 1
1441 3 11 GLY H 3 12 LYS H 3.110 . 4.420 3.568 1.998 4.144 . 0 0 "[ . 1 .]" 1
1442 3 11 GLY H 3 118 TYR HA 3.130 . 4.460 20.441 20.146 20.688 16.228 1 15 [+*********-****] 1
1443 3 11 GLY H 3 119 ASN H 2.830 . 3.850 18.578 18.281 18.752 14.902 1 15 [+*********-****] 1
1444 3 11 GLY H 3 121 PHE QB 3.250 . 4.710 9.661 9.178 9.960 5.250 4 15 [***+**********-] 1
1445 3 11 GLY H 3 121 PHE H 3.080 . 4.360 13.719 13.155 14.090 9.730 4 15 [***+**********-] 1
1446 3 11 GLY H 3 121 PHE QD 4.220 . 6.650 10.334 9.804 10.591 3.941 4 15 [***+**********-] 1
1447 3 12 LYS HB2 3 13 TRP H 3.030 . 4.260 4.128 3.926 4.303 0.043 2 0 "[ . 1 .]" 1
1448 3 12 LYS HB3 3 13 TRP H 3.030 . 4.260 3.364 2.734 3.805 . 0 0 "[ . 1 .]" 1
1449 3 12 LYS H 3 13 TRP H 3.190 . 4.580 4.289 4.057 4.381 . 0 0 "[ . 1 .]" 1
1450 3 12 LYS QB 3 13 TRP H 3.170 . 4.540 3.203 2.690 3.542 . 0 0 "[ . 1 .]" 1
1451 3 12 LYS H 3 16 ASP H 2.940 . 4.080 14.003 13.844 14.467 10.387 10 15 [********-+*****] 1
1452 3 12 LYS H 3 18 GLY H 3.380 . 4.960 15.162 15.045 15.382 10.422 10 15 [*******-*+*****] 1
1453 3 12 LYS HA 3 118 TYR HA 2.830 . 3.860 18.143 17.877 18.337 14.477 3 15 [**+*******-****] 1
1454 3 12 LYS HA 3 118 TYR QD 4.290 . 6.790 17.218 16.876 17.476 10.686 14 15 [*************+-] 1
1455 3 12 LYS H 3 118 TYR QD 4.160 . 6.520 18.316 17.944 18.665 12.145 1 15 [+*************-] 1
1456 3 12 LYS QB 3 118 TYR HA 3.740 . 5.680 17.847 17.427 18.186 12.506 14 15 [*********-***+*] 1
1457 3 13 TRP H 3 13 TRP QB 3.250 . 4.710 2.762 2.658 2.834 . 0 0 "[ . 1 .]" 1
1458 3 13 TRP H 3 14 THR H 2.940 . 4.080 4.429 4.392 4.469 0.389 5 0 "[ . 1 .]" 1
1459 3 13 TRP QB 3 14 THR H 3.520 . 5.240 2.437 2.367 2.495 . 0 0 "[ . 1 .]" 1
1460 3 13 TRP H 3 15 ASN H 3.300 . 4.800 7.113 7.003 7.249 2.449 13 15 [***-********+**] 1
1461 3 13 TRP QB 3 117 GLY H 3.840 . 5.880 15.187 15.038 15.379 9.499 5 15 [****+****-*****] 1
1462 3 14 THR H 3 14 THR HB 3.090 . 4.380 3.322 3.140 3.518 . 0 0 "[ . 1 .]" 1
1463 3 14 THR H 3 15 ASN H 2.660 . 3.520 4.368 4.333 4.399 0.879 13 15 [******-*****+**] 1
1464 3 14 THR H 3 15 ASN HA 3.670 . 5.550 4.710 4.589 4.791 . 0 0 "[ . 1 .]" 1
1465 3 14 THR HB 3 15 ASN H 3.550 . 5.300 3.966 3.857 4.097 . 0 0 "[ . 1 .]" 1
1466 3 14 THR H 3 16 ASP H 2.850 . 3.890 6.680 6.563 6.817 2.927 11 15 [****-*****+****] 1
1467 3 14 THR HB 3 16 ASP H 3.330 . 4.860 7.530 7.377 7.657 2.797 11 15 [**********+**-*] 1
1468 3 14 THR HB 3 37 ILE MG 4.160 . 6.520 8.111 7.432 8.589 2.069 15 15 [****-*********+] 1
1469 3 15 ASN H 3 16 ASP H 2.590 . 3.380 4.495 4.441 4.573 1.193 11 15 [*******-**+****] 1
1470 3 15 ASN H 3 36 TYR QB 3.960 . 6.120 9.421 9.141 9.568 3.448 15 15 [********-*****+] 1
1471 3 15 ASN HA 3 36 TYR QB 3.730 . 5.660 10.705 10.343 11.047 5.387 8 15 [***-***+*******] 1
1472 3 16 ASP H 3 16 ASP QB 2.810 . 3.810 2.406 1.994 2.572 . 0 0 "[ . 1 .]" 1
1473 3 16 ASP HA 3 17 LEU H 2.610 . 3.420 3.509 3.474 3.542 0.122 10 0 "[ . 1 .]" 1
1474 3 16 ASP QB 3 17 LEU H 2.960 . 4.130 3.133 2.840 3.691 . 0 0 "[ . 1 .]" 1
1475 3 16 ASP H 3 17 LEU H 3.190 . 4.590 2.823 2.597 3.022 . 0 0 "[ . 1 .]" 1
1476 3 16 ASP QB 3 17 LEU HA 3.890 . 5.980 4.288 4.068 4.726 . 0 0 "[ . 1 .]" 1
1477 3 16 ASP HA 3 35 THR HA 2.730 . 3.650 18.081 17.778 18.325 14.675 8 15 [*******+-******] 1
1478 3 16 ASP HA 3 35 THR MG 3.960 . 6.120 16.573 16.380 16.851 10.731 8 15 [*******+-******] 1
1479 3 16 ASP QB 3 35 THR HA 3.040 . 4.280 17.124 16.545 17.372 13.092 11 15 [****-*****+****] 1
1480 3 16 ASP H 3 35 THR HA 3.240 . 4.680 16.637 16.375 16.892 12.212 15 15 [***-**********+] 1
1481 3 16 ASP HA 3 36 TYR H 2.940 . 4.080 16.633 16.353 16.867 12.787 15 15 [********-*****+] 1
1482 3 16 ASP HA 3 36 TYR QB 3.230 . 4.660 13.634 13.346 13.905 9.245 15 15 [*********-****+] 1
1483 3 16 ASP H 3 36 TYR QB 3.650 . 5.500 12.195 11.871 12.492 6.992 15 15 [*********-****+] 1
1484 3 16 ASP HA 3 37 ILE H 3.580 . 5.370 12.493 12.180 12.697 7.327 8 15 [*******+-******] 1
1485 3 17 LEU H 3 17 LEU HB2 2.870 . 3.930 2.437 2.330 2.559 . 0 0 "[ . 1 .]" 1
1486 3 17 LEU H 3 17 LEU HB3 2.870 . 3.930 2.447 2.377 2.530 . 0 0 "[ . 1 .]" 1
1487 3 17 LEU H 3 17 LEU QB 3.050 . 4.300 2.175 2.096 2.220 . 0 0 "[ . 1 .]" 1
1488 3 17 LEU HA 3 18 GLY H 2.480 . 3.160 3.353 3.330 3.391 0.231 13 0 "[ . 1 .]" 1
1489 3 17 LEU HB2 3 18 GLY H 3.070 . 4.340 4.141 4.047 4.236 . 0 0 "[ . 1 .]" 1
1490 3 17 LEU HB3 3 18 GLY H 3.070 . 4.340 3.211 3.091 3.300 . 0 0 "[ . 1 .]" 1
1491 3 17 LEU H 3 18 GLY H 3.170 . 4.550 2.534 2.454 2.653 . 0 0 "[ . 1 .]" 1
1492 3 17 LEU H 3 34 GLY H 3.090 . 4.380 19.218 18.906 19.470 15.090 6 15 [*****+**-******] 1
1493 3 17 LEU H 3 35 THR HA 2.990 . 4.180 16.278 16.071 16.476 12.296 15 15 [***-**********+] 1
1494 3 17 LEU H 3 36 TYR QB 4.050 . 6.300 11.580 11.342 11.861 5.561 15 15 [***-**********+] 1
1495 3 17 LEU HA 3 121 PHE QD 4.200 . 6.600 8.933 8.664 9.168 2.568 15 15 [***-**********+] 1
1496 3 19 SER HA 3 20 ASN H 2.580 . 3.360 2.209 2.154 2.321 . 0 0 "[ . 1 .]" 1
1497 3 19 SER H 3 20 ASN H 3.110 . 4.420 4.629 4.597 4.667 0.247 11 0 "[ . 1 .]" 1
1498 3 19 SER H 3 32 PHE H 2.750 . 3.700 21.064 20.600 21.309 17.609 6 15 [*****+****-****] 1
1499 3 19 SER H 3 33 THR HA 2.940 . 4.080 18.381 18.071 18.675 14.595 8 15 [*******+**-****] 1
1500 3 19 SER H 3 49 LEU QD 4.130 . 6.460 9.925 9.648 10.160 3.700 15 15 [*-************+] 1
1501 3 20 ASN HA 3 21 MET H 2.500 . 3.190 2.195 2.069 2.269 . 0 0 "[ . 1 .]" 1
1502 3 20 ASN H 3 21 MET H 3.190 . 4.580 4.480 4.430 4.529 . 0 0 "[ . 1 .]" 1
1503 3 20 ASN HA 3 49 LEU QD 4.500 . 7.200 7.501 7.109 7.730 0.530 15 1 "[ . 1 +]" 1
1504 3 21 MET H 3 22 THR H 3.050 . 4.300 4.432 4.382 4.476 0.176 9 0 "[ . 1 .]" 1
1505 3 22 THR H 3 22 THR HB 3.050 . 4.300 2.756 2.692 2.812 . 0 0 "[ . 1 .]" 1
1506 3 22 THR HA 3 23 ILE H 2.440 . 3.070 2.172 2.098 2.208 . 0 0 "[ . 1 .]" 1
1507 3 22 THR HA 3 23 ILE QG 3.800 . 5.800 3.705 3.580 3.886 . 0 0 "[ . 1 .]" 1
1508 3 22 THR HB 3 23 ILE HA 3.600 . 5.400 4.697 4.580 4.849 . 0 0 "[ . 1 .]" 1
1509 3 22 THR HB 3 23 ILE H 3.030 . 4.260 4.062 3.981 4.112 . 0 0 "[ . 1 .]" 1
1510 3 23 ILE HA 3 23 ILE QG 3.030 . 4.260 2.411 2.369 2.471 . 0 0 "[ . 1 .]" 1
1511 3 23 ILE HA 3 23 ILE MG 3.030 . 4.260 2.492 2.401 2.543 . 0 0 "[ . 1 .]" 1
1512 3 23 ILE H 3 23 ILE HB 2.850 . 3.900 2.596 2.500 2.678 . 0 0 "[ . 1 .]" 1
1513 3 23 ILE H 3 23 ILE QG 3.400 . 5.000 3.072 3.027 3.106 . 0 0 "[ . 1 .]" 1
1514 3 23 ILE H 3 23 ILE MG 3.400 . 5.000 3.842 3.797 3.880 . 0 0 "[ . 1 .]" 1
1515 3 23 ILE H 3 23 ILE QG 3.550 . 5.300 2.955 2.918 2.986 . 0 0 "[ . 1 .]" 1
1516 3 23 ILE HA 3 24 GLY H 2.520 . 3.230 2.096 2.069 2.137 . 0 0 "[ . 1 .]" 1
1517 3 23 ILE HB 3 24 GLY H 3.050 . 4.300 4.314 4.268 4.350 0.050 5 0 "[ . 1 .]" 1
1518 3 23 ILE H 3 24 GLY H 3.250 . 4.700 4.246 4.207 4.305 . 0 0 "[ . 1 .]" 1
1519 3 23 ILE QG 3 26 VAL H 4.530 . 7.260 4.021 3.759 4.448 . 0 0 "[ . 1 .]" 1
1520 3 23 ILE QG 3 27 ASN H 3.900 . 6.000 6.008 5.826 6.216 0.216 4 0 "[ . 1 .]" 1
1521 3 23 ILE QG 3 28 SER H 4.220 . 6.650 9.298 9.051 9.504 2.854 7 15 [******+**-*****] 1
1522 3 23 ILE HA 3 29 ARG HA 2.850 . 3.900 16.376 16.181 16.533 12.633 14 15 [********-****+*] 1
1523 3 23 ILE HA 3 29 ARG QB 3.170 . 4.540 13.609 13.325 14.089 9.549 13 15 [**********-*+**] 1
1524 3 23 ILE HA 3 29 ARG QD 4.230 . 6.660 14.916 13.762 15.486 8.826 13 15 [**********-*+**] 1
1525 3 23 ILE H 3 29 ARG QB 3.560 . 5.320 15.666 15.412 16.101 10.781 13 15 [**********-*+**] 1
1526 3 23 ILE QG 3 29 ARG QB 3.800 . 5.800 12.113 11.720 12.555 6.755 13 15 [*********-**+**] 1
1527 3 23 ILE QG 3 29 ARG QD 4.700 . 7.600 13.038 12.040 13.574 5.974 7 15 [******+***-****] 1
1528 3 23 ILE MG 3 29 ARG QB 3.800 . 5.800 9.695 9.484 10.079 4.279 13 15 [********-***+**] 1
1529 3 23 ILE MG 3 29 ARG QD 4.700 . 7.600 10.908 10.049 11.374 3.774 13 15 [**********-*+**] 1
1530 3 23 ILE QG 3 29 ARG HA 3.930 . 6.060 11.090 10.952 11.243 5.183 14 15 [********-****+*] 1
1531 3 23 ILE QG 3 29 ARG QB 3.900 . 6.000 9.325 9.132 9.688 3.688 13 15 [********-***+**] 1
1532 3 23 ILE QG 3 29 ARG QD 4.620 . 7.450 10.385 9.573 10.817 3.367 13 15 [**********-*+**] 1
1533 3 23 ILE QG 3 53 LEU H 4.290 . 6.780 6.808 6.642 7.016 0.236 9 0 "[ . 1 .]" 1
1534 3 23 ILE QG 3 53 LEU QB 4.930 . 8.060 7.072 6.879 7.314 . 0 0 "[ . 1 .]" 1
1535 3 23 ILE QG 3 53 LEU HG 4.350 . 6.900 8.425 8.171 8.665 1.765 14 15 [***********-*+*] 1
1536 3 24 GLY H 3 27 ASN H 3.120 . 4.450 8.692 8.557 8.829 4.379 14 15 [********-****+*] 1
1537 3 24 GLY H 3 28 SER H 2.850 . 3.890 12.671 12.476 12.800 8.910 6 15 [*****+****-****] 1
1538 3 24 GLY H 3 29 ARG QB 3.500 . 5.200 13.003 12.786 13.432 8.232 5 15 [****+*****-****] 1
1539 3 25 ALA HA 3 27 ASN H 3.170 . 4.540 6.092 5.988 6.201 1.661 3 15 [**+-***********] 1
1540 3 26 VAL HA 3 26 VAL QG 3.170 . 4.540 2.320 2.132 2.489 . 0 0 "[ . 1 .]" 1
1541 3 26 VAL H 3 26 VAL HB 2.980 . 4.160 2.845 2.533 3.746 . 0 0 "[ . 1 .]" 1
1542 3 26 VAL H 3 26 VAL QG 3.340 . 4.880 2.110 1.898 2.427 . 0 0 "[ . 1 .]" 1
1543 3 26 VAL H 3 27 ASN H 2.580 . 3.360 4.527 4.447 4.611 1.251 3 15 [**+-***********] 1
1544 3 26 VAL HB 3 27 ASN H 3.360 . 4.920 4.068 3.074 4.272 . 0 0 "[ . 1 .]" 1
1545 3 26 VAL QG 3 27 ASN H 3.230 . 4.670 2.658 2.447 3.338 . 0 0 "[ . 1 .]" 1
1546 3 26 VAL HA 3 28 SER H 3.370 . 4.940 6.388 6.312 6.496 1.556 13 15 [*********-**+**] 1
1547 3 26 VAL H 3 28 SER H 2.920 . 4.040 7.259 7.029 7.569 3.529 12 15 [*-*********+***] 1
1548 3 26 VAL HB 3 28 SER H 3.330 . 4.860 7.296 6.190 7.965 3.105 6 15 [*-***+*********] 1
1549 3 27 ASN H 3 28 SER H 2.690 . 3.580 4.675 4.636 4.718 1.138 2 15 [*+*****-*******] 1
1550 3 28 SER HA 3 28 SER HG 3.340 . 4.880 3.661 3.328 4.050 . 0 0 "[ . 1 .]" 1
1551 3 28 SER HA 3 29 ARG H 2.500 . 3.200 3.540 3.503 3.612 0.412 12 0 "[ . 1 .]" 1
1552 3 28 SER HB2 3 29 ARG H 2.650 . 3.500 3.663 2.967 4.173 0.673 4 6 "[ +.* 1*** -]" 1
1553 3 28 SER HB3 3 29 ARG H 3.060 . 4.330 3.884 2.936 4.408 0.078 15 0 "[ . 1 .]" 1
1554 3 28 SER HG 3 29 ARG QD 5.150 . 8.500 8.373 6.901 9.225 0.725 14 5 "[**- * 1 +.]" 1
1555 3 28 SER HA 3 52 LEU HA 2.990 . 4.180 18.716 18.327 19.089 14.909 5 15 [-***+**********] 1
1556 3 29 ARG HA 3 29 ARG QD 3.900 . 6.000 3.891 2.446 4.325 . 0 0 "[ . 1 .]" 1
1557 3 29 ARG H 3 29 ARG QB 3.340 . 4.880 2.205 2.073 2.284 . 0 0 "[ . 1 .]" 1
1558 3 29 ARG H 3 29 ARG QD 3.920 . 6.040 4.862 4.519 5.133 . 0 0 "[ . 1 .]" 1
1559 3 29 ARG HA 3 30 GLY H 2.470 . 3.140 3.504 3.471 3.520 0.380 2 0 "[ . 1 .]" 1
1560 3 29 ARG H 3 30 GLY H 3.110 . 4.420 2.453 2.306 2.521 . 0 0 "[ . 1 .]" 1
1561 3 29 ARG QB 3 30 GLY H 3.060 . 4.320 2.881 2.667 3.144 . 0 0 "[ . 1 .]" 1
1562 3 29 ARG QD 3 30 GLY H 3.980 . 6.160 5.074 4.516 5.483 . 0 0 "[ . 1 .]" 1
1563 3 29 ARG QD 3 49 LEU QD 4.970 . 8.140 15.737 14.242 16.567 8.427 9 15 [********+*-****] 1
1564 3 29 ARG HE 3 49 LEU QD 4.670 . 7.540 17.588 15.758 19.278 11.738 8 15 [******-+*******] 1
1565 3 29 ARG QD 3 52 LEU HA 4.320 . 6.840 14.452 13.294 15.212 8.372 6 15 [*****+*******-*] 1
1566 3 29 ARG H 3 53 LEU H 3.620 . 5.450 15.079 14.806 15.235 9.785 5 15 [-***+**********] 1
1567 3 29 ARG QD 3 53 LEU QB 4.590 . 7.380 9.934 8.560 11.096 3.716 6 15 [*****+****-****] 1
1568 3 29 ARG HE 3 53 LEU HA 4.190 . 6.580 12.239 9.763 14.628 8.048 6 15 [-****+*********] 1
1569 3 29 ARG HE 3 53 LEU H 4.150 . 6.500 14.573 12.089 16.867 10.367 6 15 [-****+*********] 1
1570 3 29 ARG HE 3 53 LEU QB 4.630 . 7.460 11.459 8.829 14.211 6.751 6 15 [-****+*********] 1
1571 3 29 ARG HE 3 53 LEU HG 4.470 . 7.140 11.011 8.550 13.752 6.612 6 15 [-****+*********] 1
1572 3 30 GLY H 3 31 GLU H 3.170 . 4.550 2.252 2.136 2.349 . 0 0 "[ . 1 .]" 1
1573 3 31 GLU H 3 32 PHE H 3.150 . 4.500 4.563 4.482 4.604 0.104 12 0 "[ . 1 .]" 1
1574 3 31 GLU H 3 49 LEU HG 3.170 . 4.540 19.709 19.444 20.308 15.768 11 15 [*********-+****] 1
1575 3 31 GLU H 3 49 LEU QD 3.790 . 5.790 14.905 14.242 15.340 9.550 1 15 [+*********-****] 1
1576 3 32 PHE HA 3 33 THR H 2.540 . 3.270 2.260 2.123 2.382 . 0 0 "[ . 1 .]" 1
1577 3 32 PHE H 3 33 THR H 3.190 . 4.580 4.327 4.216 4.384 . 0 0 "[ . 1 .]" 1
1578 3 32 PHE HA 3 46 ASN QD 3.710 . 5.620 24.000 22.507 25.927 20.307 13 15 [*********-**+**] 1
1579 3 32 PHE HA 3 47 ILE H 3.650 . 5.500 25.435 24.816 25.703 20.203 5 15 [****+***-******] 1
1580 3 32 PHE HA 3 49 LEU HG 3.650 . 5.500 14.665 14.308 15.241 9.741 11 15 [********-*+****] 1
1581 3 32 PHE HA 3 49 LEU H 3.000 . 4.200 18.764 17.851 19.100 14.900 6 15 [-****+*********] 1
1582 3 32 PHE HA 3 49 LEU QD 3.750 . 5.700 11.040 10.507 11.416 5.716 13 15 [**********-*+**] 1
1583 3 32 PHE H 3 49 LEU HG 3.080 . 4.360 15.330 15.082 15.981 11.621 11 15 [*********-+****] 1
1584 3 32 PHE H 3 49 LEU H 3.650 . 5.500 19.278 18.389 19.558 14.058 6 15 [-****+*********] 1
1585 3 33 THR HA 3 34 GLY H 2.560 . 3.320 2.485 2.319 2.712 . 0 0 "[ . 1 .]" 1
1586 3 33 THR H 3 34 GLY H 3.150 . 4.500 4.480 4.379 4.560 0.060 8 0 "[ . 1 .]" 1
1587 3 33 THR H 3 46 ASN HA 3.370 . 4.940 24.870 23.909 25.469 20.529 5 15 [****+***-******] 1
1588 3 33 THR H 3 46 ASN QD 3.850 . 5.900 22.206 20.598 24.056 18.156 13 15 [*********-**+**] 1
1589 3 33 THR H 3 47 ILE H 3.010 . 4.220 23.514 22.824 23.843 19.623 12 15 [********-**+***] 1
1590 3 33 THR H 3 48 THR HA 3.190 . 4.580 18.797 18.036 19.220 14.640 5 15 [-***+**********] 1
1591 3 33 THR HA 3 49 LEU QD 4.060 . 6.320 8.274 7.573 8.841 2.521 13 15 [**********-*+**] 1
1592 3 33 THR H 3 49 LEU H 3.320 . 4.840 16.648 15.761 16.953 12.113 5 15 [-***+**********] 1
1593 3 33 THR H 3 49 LEU QD 4.100 . 6.400 9.403 9.060 9.701 3.301 1 15 [+*********-****] 1
1594 3 34 GLY H 3 46 ASN QD 4.330 . 6.860 18.270 16.829 20.111 13.251 13 15 [*********-**+**] 1
1595 3 35 THR HA 3 35 THR MG 3.260 . 4.720 2.271 2.165 2.368 . 0 0 "[ . 1 .]" 1
1596 3 35 THR H 3 35 THR MG 3.370 . 4.940 3.277 3.117 3.469 . 0 0 "[ . 1 .]" 1
1597 3 35 THR HB 3 37 ILE H 3.650 . 5.500 5.399 5.175 5.663 0.163 9 0 "[ . 1 .]" 1
1598 3 35 THR MG 3 37 ILE HA 4.040 . 6.280 6.765 6.549 7.154 0.874 9 6 "[* * . - +1 **]" 1
1599 3 35 THR MG 3 37 ILE H 3.420 . 5.040 6.528 6.364 6.725 1.685 9 15 [****-***+******] 1
1600 3 35 THR MG 3 44 PRO QD 3.560 . 5.330 15.532 15.176 15.931 10.601 15 15 [******-*******+] 1
1601 3 35 THR MG 3 44 PRO QG 3.440 . 5.080 15.621 15.152 16.101 11.021 15 15 [******-*******+] 1
1602 3 36 TYR H 3 36 TYR QB 3.210 . 4.630 2.287 2.218 2.344 . 0 0 "[ . 1 .]" 1
1603 3 36 TYR HA 3 37 ILE QG 3.560 . 5.320 3.988 3.423 4.962 . 0 0 "[ . 1 .]" 1
1604 3 36 TYR H 3 37 ILE H 2.890 . 3.980 4.475 4.359 4.525 0.545 8 9 "[ * *.**+ 1 ***-]" 1
1605 3 36 TYR H 3 37 ILE MG 3.810 . 5.830 6.348 6.144 6.471 0.641 3 12 "[ *+****- * ****]" 1
1606 3 36 TYR QB 3 37 ILE H 3.310 . 4.830 3.834 3.757 3.912 . 0 0 "[ . 1 .]" 1
1607 3 36 TYR QB 3 37 ILE MG 3.770 . 5.750 5.904 5.818 6.065 0.315 11 0 "[ . 1 .]" 1
1608 3 36 TYR HA 3 44 PRO QD 3.440 . 5.080 15.209 14.768 15.590 10.510 15 15 [******-*******+] 1
1609 3 36 TYR HA 3 44 PRO QG 3.360 . 4.920 15.347 14.840 15.858 10.938 15 15 [******-*******+] 1
1610 3 37 ILE HA 3 37 ILE QG 2.860 . 3.920 2.348 2.258 2.411 . 0 0 "[ . 1 .]" 1
1611 3 37 ILE HA 3 37 ILE MG 3.180 . 4.560 2.416 2.230 2.568 . 0 0 "[ . 1 .]" 1
1612 3 37 ILE H 3 37 ILE QG 3.380 . 4.960 2.971 2.398 3.628 . 0 0 "[ . 1 .]" 1
1613 3 37 ILE H 3 37 ILE MG 3.270 . 4.750 3.832 3.724 3.886 . 0 0 "[ . 1 .]" 1
1614 3 37 ILE HA 3 38 THR H 2.460 . 3.120 2.106 2.042 2.208 . 0 0 "[ . 1 .]" 1
1615 3 37 ILE HB 3 38 THR H 2.620 . 3.440 4.209 4.025 4.421 0.981 5 15 [**-*+**********] 1
1616 3 37 ILE QG 3 38 THR H 3.480 . 5.170 4.076 3.907 4.243 . 0 0 "[ . 1 .]" 1
1617 3 37 ILE MG 3 38 THR H 3.350 . 4.900 2.691 2.338 2.852 . 0 0 "[ . 1 .]" 1
1618 3 37 ILE MG 3 38 THR HB 4.520 . 7.240 4.371 4.196 4.638 . 0 0 "[ . 1 .]" 1
1619 3 37 ILE HA 3 44 PRO QD 3.250 . 4.700 12.024 11.608 12.431 7.731 5 15 [****+*-********] 1
1620 3 38 THR H 3 38 THR HB 3.190 . 4.580 2.196 2.061 2.323 . 0 0 "[ . 1 .]" 1
1621 3 38 THR HA 3 39 ALA H 2.600 . 3.400 2.195 2.126 2.236 . 0 0 "[ . 1 .]" 1
1622 3 38 THR H 3 39 ALA H 3.170 . 4.540 4.526 4.399 4.592 0.052 14 0 "[ . 1 .]" 1
1623 3 38 THR HB 3 39 ALA H 3.110 . 4.420 4.272 4.115 4.451 0.031 2 0 "[ . 1 .]" 1
1624 3 38 THR HB 3 40 VAL HA 3.730 . 5.660 6.573 6.344 6.892 1.232 11 15 [**********+-***] 1
1625 3 38 THR HB 3 40 VAL H 3.310 . 4.820 4.373 3.868 4.702 . 0 0 "[ . 1 .]" 1
1626 3 38 THR H 3 41 ALA MB 2.960 . 4.120 6.307 6.098 6.582 2.462 12 15 [***********+*-*] 1
1627 3 38 THR HB 3 41 ALA HA 3.100 . 4.400 6.135 5.788 6.394 1.994 13 15 [********-***+**] 1
1628 3 38 THR HB 3 41 ALA MB 3.810 . 4.800 4.600 4.313 4.962 0.162 11 0 "[ . 1 .]" 1
1629 3 38 THR HB 3 44 PRO QD 3.410 . 5.020 8.631 8.119 9.237 4.217 15 15 [******-*******+] 1
1630 3 39 ALA H 3 39 ALA MB 2.730 . 3.650 2.267 2.251 2.317 . 0 0 "[ . 1 .]" 1
1631 3 39 ALA H 3 40 VAL H 2.900 . 4.000 2.424 2.361 2.521 . 0 0 "[ . 1 .]" 1
1632 3 39 ALA MB 3 40 VAL H 3.140 . 4.480 3.156 2.984 3.395 . 0 0 "[ . 1 .]" 1
1633 3 40 VAL H 3 40 VAL HB 3.070 . 4.340 3.821 3.785 3.860 . 0 0 "[ . 1 .]" 1
1634 3 41 ALA MB 3 42 ASP HA 3.650 . 5.500 4.299 4.238 4.386 . 0 0 "[ . 1 .]" 1
1635 3 41 ALA MB 3 43 ASN H 3.270 . 4.740 2.451 2.182 2.683 . 0 0 "[ . 1 .]" 1
1636 3 41 ALA HA 3 44 PRO QD 3.030 . 4.260 4.586 4.446 4.740 0.480 3 0 "[ . 1 .]" 1
1637 3 41 ALA HA 3 44 PRO QG 3.870 . 5.940 5.838 5.371 5.980 0.040 3 0 "[ . 1 .]" 1
1638 3 41 ALA MB 3 44 PRO QD 3.210 . 4.620 2.584 2.403 2.797 . 0 0 "[ . 1 .]" 1
1639 3 42 ASP H 3 43 ASN H 2.870 . 3.940 2.407 2.252 2.613 . 0 0 "[ . 1 .]" 1
1640 3 43 ASN H 3 43 ASN QB 3.130 . 4.460 2.765 2.414 3.259 . 0 0 "[ . 1 .]" 1
1641 3 43 ASN QB 3 70 ASN QB 2.920 . 4.040 13.145 12.583 14.105 10.065 4 15 [***+******-****] 1
1642 3 43 ASN QB 3 70 ASN QD 4.310 . 6.820 12.490 11.378 13.312 6.492 14 15 [************-+*] 1
1643 3 44 PRO HA 3 44 PRO QG 3.080 . 4.370 3.517 3.501 3.536 . 0 0 "[ . 1 .]" 1
1644 3 44 PRO QG 3 45 GLY H 3.210 . 4.630 3.978 2.075 4.520 . 0 0 "[ . 1 .]" 1
1645 3 44 PRO HA 3 70 ASN QD 4.130 . 6.460 14.376 13.106 15.432 8.972 12 15 [***********+-**] 1
1646 3 44 PRO QD 3 70 ASN QD 5.120 . 8.430 14.615 13.600 15.558 7.128 12 15 [***********+-**] 1
1647 3 44 PRO QG 3 70 ASN QD 4.490 . 7.180 15.678 14.619 16.645 9.465 12 15 [***********+-**] 1
1648 3 45 GLY H 3 70 ASN QB 3.460 . 4.340 15.422 14.732 16.496 12.156 7 15 [*****-+********] 1
1649 3 45 GLY H 3 70 ASN QD 3.780 . 5.760 15.060 13.265 16.396 10.636 7 15 [******+*****-**] 1
1650 3 46 ASN HA 3 46 ASN QD 3.460 . 5.130 3.152 2.210 4.040 . 0 0 "[ . 1 .]" 1
1651 3 46 ASN HA 3 47 ILE HA 3.120 . 4.440 4.858 4.644 5.172 0.732 6 6 "[ ** *+* 1 -.]" 1
1652 3 46 ASN HA 3 47 ILE H 2.500 . 3.200 3.061 2.610 3.522 0.322 6 0 "[ . 1 .]" 1
1653 3 46 ASN QB 3 47 ILE H 3.600 . 5.400 3.714 2.808 3.999 . 0 0 "[ . 1 .]" 1
1654 3 46 ASN QD 3 47 ILE HA 4.160 . 6.520 5.897 4.475 7.109 0.589 8 2 "[ . + 1 - .]" 1
1655 3 46 ASN QD 3 47 ILE H 3.860 . 5.920 5.227 4.329 6.100 0.180 12 0 "[ . 1 .]" 1
1656 3 47 ILE H 3 47 ILE HB 3.180 . 4.560 2.775 2.554 3.085 . 0 0 "[ . 1 .]" 1
1657 3 47 ILE HA 3 48 THR HA 3.270 . 4.750 4.374 4.264 4.539 . 0 0 "[ . 1 .]" 1
1658 3 47 ILE HA 3 48 THR HG1 3.180 . 4.560 6.477 5.607 6.618 2.058 13 15 [************+-*] 1
1659 3 47 ILE HA 3 48 THR HG1 3.330 . 4.860 3.382 3.274 3.465 . 0 0 "[ . 1 .]" 1
1660 3 47 ILE H 3 48 THR HA 3.650 . 5.500 5.806 5.629 5.972 0.472 5 0 "[ . 1 .]" 1
1661 3 47 ILE HB 3 68 THR H 4.010 . 6.220 19.283 18.984 19.640 13.420 8 15 [*******+-******] 1
1662 3 48 THR HA 3 49 LEU H 2.480 . 3.150 2.377 2.144 2.512 . 0 0 "[ . 1 .]" 1
1663 3 48 THR HA 3 49 LEU QD 4.310 . 6.830 4.963 3.704 5.334 . 0 0 "[ . 1 .]" 1
1664 3 49 LEU HA 3 49 LEU QD 3.550 . 5.300 2.623 2.130 3.028 . 0 0 "[ . 1 .]" 1
1665 3 49 LEU H 3 49 LEU HG 2.960 . 4.130 4.303 4.100 4.409 0.279 14 0 "[ . 1 .]" 1
1666 3 49 LEU H 3 49 LEU QD 3.460 . 5.120 3.416 2.523 3.644 . 0 0 "[ . 1 .]" 1
1667 3 49 LEU H 3 50 SER H 3.130 . 4.460 4.513 4.418 4.580 0.120 14 0 "[ . 1 .]" 1
1668 3 49 LEU QD 3 50 SER H 4.020 . 5.880 3.297 2.188 3.845 . 0 0 "[ . 1 .]" 1
1669 3 49 LEU QD 3 50 SER HA 3.960 . 6.120 4.084 3.273 4.979 . 0 0 "[ . 1 .]" 1
1670 3 49 LEU HA 3 67 PHE H 3.020 . 4.240 15.599 15.239 15.875 11.635 8 15 [-******+*******] 1
1671 3 50 SER HA 3 50 SER HG 2.830 . 3.850 3.661 2.804 4.032 0.182 3 0 "[ . 1 .]" 1
1672 3 50 SER H 3 50 SER HB2 2.990 . 4.180 3.028 2.467 3.776 . 0 0 "[ . 1 .]" 1
1673 3 50 SER H 3 50 SER HB3 2.990 . 4.180 3.319 2.649 3.753 . 0 0 "[ . 1 .]" 1
1674 3 50 SER H 3 50 SER HG 3.380 . 4.960 3.709 2.696 4.595 . 0 0 "[ . 1 .]" 1
1675 3 52 LEU HA 3 52 LEU QD 3.300 . 4.800 3.388 3.300 3.441 . 0 0 "[ . 1 .]" 1
1676 3 52 LEU H 3 52 LEU QD 3.430 . 5.060 3.358 3.093 3.495 . 0 0 "[ . 1 .]" 1
1677 3 52 LEU HA 3 53 LEU HG 3.320 . 4.840 6.487 6.334 6.654 1.814 5 15 [****+****-*****] 1
1678 3 52 LEU H 3 53 LEU HA 3.340 . 4.880 5.140 5.059 5.247 0.367 10 0 "[ . 1 .]" 1
1679 3 52 LEU H 3 53 LEU H 3.190 . 4.580 4.434 4.385 4.469 . 0 0 "[ . 1 .]" 1
1680 3 52 LEU H 3 53 LEU HG 4.010 . 6.220 7.341 6.786 7.643 1.423 12 15 [**********-+***] 1
1681 3 52 LEU QD 3 53 LEU H 4.090 . 6.380 2.960 2.835 3.178 . 0 0 "[ . 1 .]" 1
1682 3 53 LEU H 3 53 LEU QB 3.440 . 5.080 2.707 2.654 2.746 . 0 0 "[ . 1 .]" 1
1683 3 53 LEU H 3 53 LEU HG 3.330 . 4.860 4.904 4.748 5.005 0.145 14 0 "[ . 1 .]" 1
1684 3 53 LEU QB 3 54 GLY H 3.120 . 4.450 3.428 2.684 3.687 . 0 0 "[ . 1 .]" 1
1685 3 53 LEU HG 3 54 GLY H 3.920 . 6.040 3.598 2.989 4.260 . 0 0 "[ . 1 .]" 1
1686 3 53 LEU HA 3 62 GLN QB 3.260 . 4.720 19.107 18.092 19.481 14.761 9 15 [***-****+******] 1
1687 3 53 LEU QB 3 62 GLN HA 3.440 . 5.080 19.443 18.982 19.813 14.733 6 15 [***-*+*********] 1
1688 3 53 LEU QB 3 62 GLN QB 3.830 . 5.870 18.720 18.043 19.070 13.200 6 15 [***-*+*********] 1
1689 3 53 LEU HG 3 62 GLN QB 4.280 . 6.760 21.230 20.204 22.179 15.419 3 15 [**+-***********] 1
1690 3 54 GLY H 3 60 ALA MB 3.650 . 5.500 15.434 14.998 15.723 10.223 3 15 [**+***********-] 1
1691 3 55 ILE HA 3 55 ILE QG 3.080 . 4.370 2.206 2.163 2.254 . 0 0 "[ . 1 .]" 1
1692 3 56 GLN HA 3 56 GLN QB 2.630 . 3.460 2.165 2.129 2.200 . 0 0 "[ . 1 .]" 1
1693 3 56 GLN HA 3 56 GLN QG 2.980 . 4.160 3.382 3.082 3.476 . 0 0 "[ . 1 .]" 1
1694 3 57 HIS H 3 57 HIS QB 3.260 . 4.720 2.283 2.172 2.653 . 0 0 "[ . 1 .]" 1
1695 3 57 HIS QB 3 59 ARG H 3.280 . 4.760 2.790 2.449 3.047 . 0 0 "[ . 1 .]" 1
1696 3 57 HIS QB 3 60 ALA HA 3.190 . 4.590 6.123 5.902 6.266 1.676 6 15 [*****+********-] 1
1697 3 57 HIS QB 3 60 ALA MB 3.480 . 4.080 3.901 3.620 3.951 . 0 0 "[ . 1 .]" 1
1698 3 57 HIS QB 3 61 SER H 3.920 . 6.040 7.158 6.937 7.353 1.313 11 15 [**********+***-] 1
1699 3 59 ARG HA 3 59 ARG HG2 2.850 . 3.890 3.314 2.424 3.850 . 0 0 "[ . 1 .]" 1
1700 3 59 ARG HA 3 59 ARG HG3 2.850 . 3.890 3.004 2.273 3.822 . 0 0 "[ . 1 .]" 1
1701 3 59 ARG HA 3 59 ARG QG 3.030 . 4.260 2.609 2.249 3.317 . 0 0 "[ . 1 .]" 1
1702 3 59 ARG H 3 59 ARG HB2 2.810 . 3.830 2.628 2.100 3.668 . 0 0 "[ . 1 .]" 1
1703 3 59 ARG H 3 59 ARG HB3 2.810 . 3.830 3.079 2.437 3.671 . 0 0 "[ . 1 .]" 1
1704 3 59 ARG H 3 59 ARG QB 3.010 . 4.220 2.350 2.082 2.663 . 0 0 "[ . 1 .]" 1
1705 3 59 ARG HA 3 60 ALA HA 3.330 . 4.870 4.717 4.645 4.771 . 0 0 "[ . 1 .]" 1
1706 3 59 ARG QG 3 83 GLN H 3.190 . 4.590 14.155 11.687 15.019 10.429 10 15 [*-*******+*****] 1
1707 3 60 ALA HA 3 61 SER H 2.560 . 3.330 2.465 2.361 2.583 . 0 0 "[ . 1 .]" 1
1708 3 60 ALA MB 3 61 SER H 2.930 . 3.980 2.322 2.158 2.468 . 0 0 "[ . 1 .]" 1
1709 3 61 SER HA 3 62 GLN H 2.680 . 3.560 3.557 3.492 3.630 0.070 4 0 "[ . 1 .]" 1
1710 3 61 SER HA 3 80 PHE HA 2.880 . 3.960 20.533 20.048 21.097 17.137 4 15 [***+***-*******] 1
1711 3 61 SER HA 3 80 PHE H 3.270 . 4.740 20.787 20.252 21.408 16.668 4 15 [***+***-*******] 1
1712 3 61 SER HA 3 80 PHE QB 3.770 . 5.740 17.052 16.533 17.673 11.933 4 15 [***+***-*******] 1
1713 3 61 SER H 3 80 PHE QB 4.010 . 6.220 17.307 17.135 17.521 11.301 4 15 [***+***-*******] 1
1714 3 61 SER HA 3 81 THR H 3.070 . 4.340 18.848 18.368 19.397 15.057 4 15 [***+***-*******] 1
1715 3 62 GLN HA 3 79 VAL H 3.410 . 5.020 21.312 20.892 21.555 16.535 11 15 [*********-+****] 1
1716 3 62 GLN H 3 79 VAL H 2.830 . 3.850 23.097 22.773 23.261 19.411 11 15 [*********-+****] 1
1717 3 62 GLN H 3 80 PHE HA 3.030 . 4.260 18.500 18.386 18.662 14.402 2 15 [*+*********-***] 1
1718 3 62 GLN QE 3 81 THR HB 4.540 . 7.270 15.124 13.142 16.240 8.970 7 15 [-*****+********] 1
1719 3 62 GLN QE 3 91 LYS HA 4.190 . 6.580 9.754 8.538 11.265 4.685 11 15 [********-*+****] 1
1720 3 62 GLN QE 3 91 LYS QB 4.380 . 6.960 8.777 7.924 10.265 3.305 2 15 [*+******-******] 1
1721 3 62 GLN QE 3 91 LYS QD 4.640 . 7.480 11.091 10.146 12.293 4.813 2 15 [*+**********-**] 1
1722 3 62 GLN QE 3 93 VAL QG 4.290 . 6.780 6.423 5.746 7.942 1.162 2 1 "[ + . 1 .]" 1
1723 3 64 THR H 3 77 THR H 2.880 . 3.960 23.783 23.660 23.922 19.962 2 15 [*+**-**********] 1
1724 3 65 PHE HA 3 66 GLY H 2.590 . 3.380 2.240 2.184 2.340 . 0 0 "[ . 1 .]" 1
1725 3 65 PHE H 3 66 GLY H 3.190 . 4.580 4.321 4.253 4.392 . 0 0 "[ . 1 .]" 1
1726 3 65 PHE HA 3 76 SER HA 2.960 . 4.120 21.481 21.378 21.620 17.500 10 15 [****-****+*****] 1
1727 3 65 PHE HA 3 76 SER HG 4.020 . 6.240 22.177 20.325 23.301 17.061 13 15 [************+*-] 1
1728 3 65 PHE HA 3 77 THR H 3.030 . 4.260 19.252 19.121 19.400 15.140 13 15 [****-*******+**] 1
1729 3 66 GLY H 3 75 GLU H 2.890 . 3.980 24.120 24.005 24.314 20.334 12 15 [***********+*-*] 1
1730 3 66 GLY H 3 76 SER HA 3.220 . 4.640 19.463 19.331 19.603 14.963 11 15 [****-*****+****] 1
1731 3 67 PHE H 3 67 PHE QB 2.810 . 3.820 3.301 3.262 3.353 . 0 0 "[ . 1 .]" 1
1732 3 67 PHE HA 3 68 THR H 2.400 . 3.000 2.275 2.238 2.357 . 0 0 "[ . 1 .]" 1
1733 3 67 PHE QB 3 68 THR H 3.200 . 4.600 2.595 2.449 2.703 . 0 0 "[ . 1 .]" 1
1734 3 67 PHE HA 3 74 SER HA 3.010 . 4.220 19.998 19.807 20.238 16.018 12 15 [********-**+***] 1
1735 3 67 PHE HA 3 75 GLU H 3.280 . 4.760 19.297 19.136 19.493 14.733 12 15 [********-**+***] 1
1736 3 68 THR H 3 69 VAL H 3.210 . 4.620 4.556 4.532 4.582 . 0 0 "[ . 1 .]" 1
1737 3 68 THR HB 3 69 VAL H 3.460 . 5.130 3.591 3.495 3.663 . 0 0 "[ . 1 .]" 1
1738 3 68 THR HB 3 71 TRP HA 4.000 . 6.200 9.333 9.202 9.493 3.293 15 15 [***-**********+] 1
1739 3 68 THR HB 3 71 TRP QB 3.760 . 5.720 9.419 9.237 9.620 3.900 9 15 [******-*+******] 1
1740 3 68 THR HB 3 71 TRP H 3.080 . 4.360 7.690 7.483 7.874 3.514 9 15 [***-****+******] 1
1741 3 68 THR H 3 73 PHE QB 3.650 . 5.500 16.300 15.981 16.657 11.157 14 15 [********-****+*] 1
1742 3 68 THR H 3 73 PHE H 3.190 . 4.580 15.434 15.153 15.806 11.226 14 15 [********-****+*] 1
1743 3 68 THR HB 3 73 PHE H 3.620 . 5.440 13.433 13.129 13.921 8.481 14 15 [*******-*****+*] 1
1744 3 68 THR H 3 74 SER HA 2.890 . 3.970 17.960 17.792 18.112 14.142 12 15 [********-**+***] 1
1745 3 68 THR H 3 75 GLU H 3.440 . 5.080 17.220 17.063 17.427 12.347 13 15 [********-***+**] 1
1746 3 69 VAL H 3 70 ASN H 2.890 . 3.970 4.245 4.176 4.298 0.328 14 0 "[ . 1 .]" 1
1747 3 69 VAL H 3 71 TRP H 2.940 . 4.080 5.930 5.775 6.111 2.031 11 15 [*********-+****] 1
1748 3 70 ASN HA 3 70 ASN QD 3.880 . 5.960 3.176 1.917 4.054 . 0 0 "[ . 1 .]" 1
1749 3 70 ASN H 3 70 ASN QB 2.940 . 3.760 2.302 2.174 2.484 . 0 0 "[ . 1 .]" 1
1750 3 70 ASN H 3 71 TRP H 2.480 . 3.150 4.422 4.325 4.484 1.334 14 15 [*******-*****+*] 1
1751 3 70 ASN QD 3 71 TRP HA 4.270 . 6.740 5.335 4.460 6.039 . 0 0 "[ . 1 .]" 1
1752 3 70 ASN QD 3 71 TRP QB 4.060 . 6.320 5.384 4.176 6.316 . 0 0 "[ . 1 .]" 1
1753 3 71 TRP H 3 71 TRP QB 2.920 . 4.000 2.526 2.461 2.585 . 0 0 "[ . 1 .]" 1
1754 3 71 TRP HA 3 72 LYS QB 3.250 . 4.710 4.278 3.986 4.553 . 0 0 "[ . 1 .]" 1
1755 3 71 TRP HA 3 72 LYS HG2 3.650 . 5.500 3.657 3.236 4.148 . 0 0 "[ . 1 .]" 1
1756 3 71 TRP HA 3 72 LYS HG3 3.130 . 4.460 4.218 3.478 5.367 0.907 4 1 "[ +. 1 .]" 1
1757 3 72 LYS HA 3 72 LYS HG2 2.540 . 3.280 2.791 2.257 3.288 0.008 4 0 "[ . 1 .]" 1
1758 3 72 LYS HA 3 72 LYS HG3 2.540 . 3.270 3.710 3.381 3.855 0.585 1 6 "[+ *. * 1-* *.]" 1
1759 3 72 LYS QB 3 100 LEU QB 3.060 . 4.320 12.212 11.869 12.630 8.310 9 15 [*******-+******] 1
1760 3 73 PHE H 3 73 PHE QB 2.890 . 3.980 2.648 2.580 2.759 . 0 0 "[ . 1 .]" 1
1761 3 73 PHE QB 3 74 SER H 2.890 . 3.970 3.755 3.680 3.844 . 0 0 "[ . 1 .]" 1
1762 3 73 PHE H 3 74 SER H 3.170 . 4.540 2.460 2.282 2.572 . 0 0 "[ . 1 .]" 1
1763 3 73 PHE QB 3 74 SER HA 3.520 . 5.250 4.970 4.868 5.069 . 0 0 "[ . 1 .]" 1
1764 3 74 SER HA 3 75 GLU H 2.590 . 3.380 2.313 2.260 2.376 . 0 0 "[ . 1 .]" 1
1765 3 74 SER HA 3 75 GLU QG 3.560 . 5.320 4.139 3.833 4.255 . 0 0 "[ . 1 .]" 1
1766 3 74 SER H 3 75 GLU H 3.230 . 4.670 4.154 3.955 4.309 . 0 0 "[ . 1 .]" 1
1767 3 74 SER H 3 75 GLU QG 3.910 . 6.020 4.921 4.660 5.109 . 0 0 "[ . 1 .]" 1
1768 3 74 SER H 3 98 TRP H 3.120 . 4.450 18.576 18.309 18.787 14.337 15 15 [**-***********+] 1
1769 3 75 GLU HA 3 75 GLU QG 3.130 . 4.460 2.205 2.111 2.320 . 0 0 "[ . 1 .]" 1
1770 3 75 GLU H 3 75 GLU QG 3.290 . 4.790 2.610 2.293 2.817 . 0 0 "[ . 1 .]" 1
1771 3 75 GLU HA 3 76 SER HG 4.050 . 6.300 4.575 3.759 6.550 0.250 15 0 "[ . 1 .]" 1
1772 3 75 GLU H 3 76 SER H 3.210 . 4.620 4.467 4.381 4.622 0.002 11 0 "[ . 1 .]" 1
1773 3 75 GLU QG 3 76 SER H 3.120 . 4.450 4.044 3.944 4.223 . 0 0 "[ . 1 .]" 1
1774 3 75 GLU QG 3 95 LYS HA 4.060 . 6.320 24.763 24.587 24.974 18.654 1 15 [+*********-****] 1
1775 3 75 GLU QG 3 95 LYS QZ 3.440 . 5.080 24.087 22.970 24.495 19.415 5 15 [****+*-********] 1
1776 3 75 GLU QG 3 96 THR HA 4.160 . 6.520 22.489 22.274 22.699 16.179 10 15 [*********+-****] 1
1777 3 75 GLU QG 3 96 THR H 3.360 . 4.920 23.001 22.788 23.221 18.301 1 15 [+*********-****] 1
1778 3 75 GLU HA 3 97 MET HA 3.000 . 4.210 20.228 19.995 20.490 16.280 10 15 [***-*****+*****] 1
1779 3 75 GLU HA 3 97 MET QB 3.930 . 6.060 18.237 18.056 18.448 12.388 10 15 [*********+-****] 1
1780 3 75 GLU QG 3 97 MET HA 3.080 . 4.360 20.314 20.069 20.584 16.224 10 15 [*********+-****] 1
1781 3 75 GLU QG 3 97 MET H 3.710 . 5.630 20.791 20.549 21.094 15.464 10 15 [*********+-****] 1
1782 3 75 GLU QG 3 97 MET QB 3.530 . 5.260 18.254 18.055 18.490 13.230 10 15 [*********+-****] 1
1783 3 75 GLU HA 3 98 TRP H 3.270 . 4.740 18.305 18.104 18.546 13.806 10 15 [**-******+*****] 1
1784 3 75 GLU QG 3 98 TRP H 3.920 . 6.040 18.582 18.355 18.835 12.795 10 15 [*********+-****] 1
1785 3 76 SER H 3 76 SER HG 3.730 . 5.660 3.420 2.547 4.908 . 0 0 "[ . 1 .]" 1
1786 3 76 SER HA 3 77 THR H 2.690 . 3.570 2.337 2.243 2.385 . 0 0 "[ . 1 .]" 1
1787 3 76 SER HG 3 77 THR HA 4.000 . 6.200 5.503 4.494 6.308 0.108 13 0 "[ . 1 .]" 1
1788 3 76 SER HG 3 95 LYS HA 4.250 . 6.710 22.078 19.705 23.428 16.718 6 15 [*****+********-] 1
1789 3 76 SER H 3 96 THR H 3.000 . 4.200 21.265 21.117 21.422 17.222 14 15 [*-***********+*] 1
1790 3 76 SER HG 3 96 THR H 3.900 . 6.000 20.059 17.697 21.398 15.398 6 15 [*****+********-] 1
1791 3 77 THR HA 3 93 VAL HB 3.190 . 4.590 23.159 22.998 23.422 18.832 8 15 [**-****+*******] 1
1792 3 78 THR HA 3 78 THR MG 3.330 . 4.860 2.042 1.980 2.241 . 0 0 "[ . 1 .]" 1
1793 3 78 THR H 3 78 THR MG 3.410 . 5.020 3.611 3.328 3.683 . 0 0 "[ . 1 .]" 1
1794 3 78 THR HA 3 79 VAL H 2.620 . 3.440 2.169 2.089 2.415 . 0 0 "[ . 1 .]" 1
1795 3 78 THR HA 3 79 VAL HA 3.550 . 5.300 4.428 4.387 4.511 . 0 0 "[ . 1 .]" 1
1796 3 78 THR HB 3 79 VAL H 3.140 . 4.480 3.715 2.208 4.046 . 0 0 "[ . 1 .]" 1
1797 3 78 THR H 3 79 VAL H 3.040 . 4.280 4.283 4.204 4.418 0.138 10 0 "[ . 1 .]" 1
1798 3 78 THR MG 3 79 VAL H 3.490 . 5.180 2.706 2.529 3.385 . 0 0 "[ . 1 .]" 1
1799 3 78 THR H 3 93 VAL HA 3.070 . 4.340 21.293 21.039 21.591 17.251 6 15 [****-+*********] 1
1800 3 78 THR H 3 93 VAL HB 3.000 . 4.200 21.372 21.238 21.507 17.307 9 15 [****-***+******] 1
1801 3 79 VAL H 3 80 PHE H 3.170 . 4.540 4.509 4.242 4.557 0.017 14 0 "[ . 1 .]" 1
1802 3 79 VAL H 3 93 VAL HB 2.900 . 4.000 19.082 18.413 19.346 15.346 9 15 [********+-*****] 1
1803 3 79 VAL H 3 93 VAL QG 3.190 . 4.590 15.044 14.449 15.697 11.107 9 15 [*-******+******] 1
1804 3 79 VAL HA 3 93 VAL HA 3.300 . 4.800 18.174 17.927 18.476 13.676 7 15 [******+*******-] 1
1805 3 79 VAL HA 3 93 VAL QG 3.830 . 5.870 14.329 13.736 14.906 9.036 9 15 [********+*****-] 1
1806 3 79 VAL HA 3 94 LEU H 3.440 . 5.090 16.020 15.801 16.266 11.176 7 15 [******+*******-] 1
1807 3 80 PHE H 3 80 PHE QB 2.920 . 4.040 2.506 2.400 2.632 . 0 0 "[ . 1 .]" 1
1808 3 80 PHE H 3 92 GLU H 3.130 . 4.460 20.912 20.649 21.184 16.724 6 15 [*****+*-*******] 1
1809 3 80 PHE H 3 93 VAL HA 3.020 . 4.240 16.192 15.924 16.469 12.229 7 15 [*-****+********] 1
1810 3 80 PHE H 3 93 VAL QG 3.320 . 4.840 12.808 12.246 13.405 8.565 9 15 [*-******+******] 1
1811 3 81 THR H 3 81 THR HB 3.120 . 4.450 3.633 3.442 3.760 . 0 0 "[ . 1 .]" 1
1812 3 81 THR HA 3 82 GLY H 2.550 . 3.300 2.180 2.121 2.232 . 0 0 "[ . 1 .]" 1
1813 3 81 THR HB 3 82 GLY H 3.530 . 5.260 3.653 3.455 3.914 . 0 0 "[ . 1 .]" 1
1814 3 81 THR HA 3 91 LYS HA 2.950 . 4.100 20.367 20.220 20.592 16.492 5 15 [****+********-*] 1
1815 3 81 THR HA 3 91 LYS QD 3.650 . 5.500 19.865 19.278 20.182 14.682 5 15 [***-+**********] 1
1816 3 81 THR H 3 91 LYS QD 4.460 . 7.120 19.737 19.009 20.143 13.023 13 15 [***-********+**] 1
1817 3 81 THR HB 3 91 LYS QD 3.970 . 6.140 20.714 20.082 21.071 14.931 1 15 [+**-***********] 1
1818 3 81 THR HA 3 92 GLU H 3.150 . 4.500 18.222 17.997 18.439 13.939 7 15 [******+*******-] 1
1819 3 82 GLY H 3 83 GLN H 3.190 . 4.580 4.454 4.323 4.506 . 0 0 "[ . 1 .]" 1
1820 3 82 GLY H 3 90 GLY H 2.770 . 3.740 19.986 19.853 20.097 16.357 7 15 [******+***-****] 1
1821 3 82 GLY H 3 91 LYS QD 4.020 . 6.240 18.170 17.536 18.458 12.218 13 15 [***-********+**] 1
1822 3 82 GLY H 3 92 GLU H 2.980 . 4.170 16.267 16.075 16.562 12.392 1 15 [+*************-] 1
1823 3 83 GLN HA 3 83 GLN QG 2.900 . 4.000 2.330 2.123 2.537 . 0 0 "[ . 1 .]" 1
1824 3 83 GLN H 3 83 GLN QG 3.470 . 5.140 4.061 3.995 4.200 . 0 0 "[ . 1 .]" 1
1825 3 83 GLN HA 3 84 CYS H 2.440 . 3.080 2.129 2.021 2.174 . 0 0 "[ . 1 .]" 1
1826 3 83 GLN H 3 84 CYS H 3.090 . 4.380 4.450 4.344 4.540 0.160 13 0 "[ . 1 .]" 1
1827 3 83 GLN QG 3 84 CYS HA 3.670 . 5.550 4.303 3.893 5.019 . 0 0 "[ . 1 .]" 1
1828 3 83 GLN QG 3 84 CYS H 3.230 . 4.660 2.596 2.254 3.047 . 0 0 "[ . 1 .]" 1
1829 3 83 GLN QG 3 87 ASP H 3.250 . 4.710 9.550 8.991 10.173 5.463 5 15 [***-+**********] 1
1830 3 83 GLN HA 3 88 ARG QB 3.460 . 5.120 15.425 15.035 15.566 10.446 7 15 [****-*+********] 1
1831 3 83 GLN QG 3 88 ARG H 3.400 . 5.000 11.650 11.251 12.288 7.288 14 15 [**-**********+*] 1
1832 3 83 GLN HA 3 89 ASN HA 2.670 . 3.540 19.092 18.869 19.225 15.685 7 15 [******+-*******] 1
1833 3 83 GLN QG 3 89 ASN HA 3.370 . 4.940 15.581 15.130 16.109 11.169 5 15 [-***+**********] 1
1834 3 83 GLN HA 3 90 GLY H 2.890 . 3.970 15.818 15.648 15.934 11.964 3 15 [**+****-*******] 1
1835 3 83 GLN QG 3 90 GLY H 3.920 . 6.040 12.726 12.247 13.234 7.194 5 15 [-***+**********] 1
1836 3 84 CYS H 3 84 CYS HB2 2.790 . 3.780 2.834 1.995 3.633 . 0 0 "[ . 1 .]" 1
1837 3 84 CYS H 3 84 CYS HB3 2.790 . 3.780 2.628 2.471 2.878 . 0 0 "[ . 1 .]" 1
1838 3 84 CYS H 3 84 CYS QB 3.000 . 4.200 2.375 1.949 2.774 . 0 0 "[ . 1 .]" 1
1839 3 84 CYS HA 3 85 PHE HA 3.130 . 4.460 4.480 4.427 4.581 0.121 1 0 "[ . 1 .]" 1
1840 3 84 CYS HA 3 85 PHE QB 3.750 . 5.700 4.782 4.599 4.962 . 0 0 "[ . 1 .]" 1
1841 3 84 CYS QB 3 85 PHE H 3.550 . 5.300 3.679 3.228 3.962 . 0 0 "[ . 1 .]" 1
1842 3 84 CYS QB 3 85 PHE QD 4.420 . 7.040 5.153 4.942 5.333 . 0 0 "[ . 1 .]" 1
1843 3 84 CYS H 3 87 ASP H 3.060 . 4.320 10.494 10.271 10.664 6.344 15 15 [**********-***+] 1
1844 3 84 CYS HA 3 88 ARG QB 3.610 . 5.420 12.956 12.638 13.319 7.899 13 15 [*****-******+**] 1
1845 3 84 CYS H 3 88 ARG QB 2.960 . 4.120 14.395 13.989 14.527 10.407 11 15 [****-*****+****] 1
1846 3 84 CYS H 3 88 ARG H 2.920 . 4.040 13.747 13.595 13.910 9.870 7 15 [****-*+********] 1
1847 3 84 CYS QB 3 88 ARG QB 3.370 . 4.940 12.512 12.304 12.786 7.846 11 15 [****-*****+****] 1
1848 3 84 CYS QB 3 88 ARG H 3.420 . 5.040 11.861 11.517 12.037 6.997 11 15 [*******-**+****] 1
1849 3 84 CYS H 3 89 ASN HA 3.070 . 4.340 17.513 17.335 17.603 13.263 15 15 [*******-******+] 1
1850 3 85 PHE HA 3 85 PHE QD 3.480 . 5.160 3.074 2.880 3.229 . 0 0 "[ . 1 .]" 1
1851 3 85 PHE HA 3 86 ILE HA 3.430 . 5.060 4.395 4.313 4.488 . 0 0 "[ . 1 .]" 1
1852 3 85 PHE QB 3 86 ILE HA 3.510 . 5.220 3.911 3.850 3.994 . 0 0 "[ . 1 .]" 1
1853 3 85 PHE QB 3 86 ILE H 3.250 . 4.710 2.176 2.082 2.289 . 0 0 "[ . 1 .]" 1
1854 3 85 PHE QD 3 86 ILE H 3.490 . 5.180 3.912 3.764 4.052 . 0 0 "[ . 1 .]" 1
1855 3 85 PHE QB 3 87 ASP H 3.750 . 5.700 4.324 4.195 4.474 . 0 0 "[ . 1 .]" 1
1856 3 87 ASP H 3 88 ARG QG 3.550 . 5.300 6.639 5.896 7.484 2.184 10 15 [*********+****-] 1
1857 3 88 ARG QB 3 88 ARG HE 3.120 . 4.290 3.492 2.125 4.368 0.078 12 0 "[ . 1 .]" 1
1858 3 88 ARG H 3 88 ARG QG 2.980 . 4.160 3.145 2.202 4.100 . 0 0 "[ . 1 .]" 1
1859 3 89 ASN H 3 89 ASN QB 3.000 . 4.210 2.167 2.059 2.267 . 0 0 "[ . 1 .]" 1
1860 3 89 ASN HA 3 90 GLY H 2.450 . 3.100 3.427 3.344 3.485 0.385 10 0 "[ . 1 .]" 1
1861 3 89 ASN HB2 3 90 GLY H 3.110 . 4.420 4.142 3.940 4.343 . 0 0 "[ . 1 .]" 1
1862 3 89 ASN HB3 3 90 GLY H 3.110 . 4.420 3.385 3.154 3.618 . 0 0 "[ . 1 .]" 1
1863 3 89 ASN H 3 90 GLY H 3.110 . 4.420 2.607 2.412 2.856 . 0 0 "[ . 1 .]" 1
1864 3 89 ASN QB 3 90 GLY H 3.270 . 4.750 3.236 3.068 3.367 . 0 0 "[ . 1 .]" 1
1865 3 89 ASN QB 3 119 ASN HA 4.010 . 6.220 18.319 18.051 18.776 12.556 7 15 [******+****-***] 1
1866 3 89 ASN QB 3 120 ILE H 3.820 . 5.840 16.619 16.326 17.041 11.201 7 15 [******+****-***] 1
1867 3 90 GLY H 3 91 LYS QD 4.330 . 6.860 6.093 5.858 6.444 . 0 0 "[ . 1 .]" 1
1868 3 91 LYS HA 3 91 LYS QD 3.660 . 5.460 3.582 2.227 4.284 . 0 0 "[ . 1 .]" 1
1869 3 91 LYS QB 3 91 LYS QD 3.280 . 4.760 2.497 2.230 2.821 . 0 0 "[ . 1 .]" 1
1870 3 91 LYS H 3 91 LYS QD 3.730 . 5.660 4.587 4.210 4.926 . 0 0 "[ . 1 .]" 1
1871 3 91 LYS HA 3 92 GLU H 2.620 . 3.440 2.382 2.239 2.652 . 0 0 "[ . 1 .]" 1
1872 3 91 LYS H 3 92 GLU H 3.250 . 4.710 4.519 4.365 4.693 . 0 0 "[ . 1 .]" 1
1873 3 91 LYS QD 3 92 GLU H 4.160 . 6.450 4.523 3.580 5.259 . 0 0 "[ . 1 .]" 1
1874 3 91 LYS QD 3 93 VAL QG 4.300 . 6.800 5.109 4.521 5.994 . 0 0 "[ . 1 .]" 1
1875 3 91 LYS QB 3 118 TYR HA 3.230 . 4.660 17.000 16.764 17.167 12.507 1 15 [+-*************] 1
1876 3 91 LYS QB 3 118 TYR H 2.940 . 4.080 18.554 18.326 18.780 14.700 1 15 [+-*************] 1
1877 3 91 LYS QB 3 118 TYR QD 4.320 . 6.840 14.019 13.660 14.283 7.443 14 15 [*****-*******+*] 1
1878 3 91 LYS H 3 118 TYR QB 3.070 . 4.340 17.873 17.480 18.198 13.858 5 15 [****+******-***] 1
1879 3 91 LYS H 3 118 TYR H 3.000 . 4.200 22.670 22.265 23.041 18.841 5 15 [****+******-***] 1
1880 3 91 LYS H 3 118 TYR QD 4.710 . 7.630 17.400 16.764 17.625 9.995 5 15 [****+-*********] 1
1881 3 91 LYS QD 3 118 TYR H 4.060 . 6.320 19.873 19.016 20.853 14.533 1 15 [+**-***********] 1
1882 3 91 LYS QD 3 118 TYR HA 4.640 . 7.480 18.560 17.780 19.447 11.967 13 15 [***-********+**] 1
1883 3 91 LYS QD 3 118 TYR QB 3.840 . 5.880 16.047 15.230 17.001 11.121 1 15 [+**-***********] 1
1884 3 91 LYS QD 3 118 TYR QD 5.120 . 8.440 15.250 14.350 16.295 7.855 1 15 [+**-***********] 1
1885 3 91 LYS QB 3 119 ASN H 3.480 . 5.170 15.195 15.000 15.362 10.192 7 15 [*-****+********] 1
1886 3 92 GLU HA 3 92 GLU HG2 2.900 . 4.000 3.439 2.477 3.822 . 0 0 "[ . 1 .]" 1
1887 3 92 GLU HA 3 92 GLU HG3 2.900 . 4.000 2.687 2.335 3.607 . 0 0 "[ . 1 .]" 1
1888 3 92 GLU H 3 92 GLU HB2 2.770 . 3.740 2.414 2.240 2.708 . 0 0 "[ . 1 .]" 1
1889 3 92 GLU H 3 92 GLU QG 3.270 . 4.740 3.593 3.075 4.109 . 0 0 "[ . 1 .]" 1
1890 3 92 GLU HA 3 93 VAL H 2.580 . 3.360 2.182 2.123 2.263 . 0 0 "[ . 1 .]" 1
1891 3 92 GLU HA 3 93 VAL QG 3.300 . 4.800 3.269 3.118 3.408 . 0 0 "[ . 1 .]" 1
1892 3 92 GLU HB3 3 93 VAL H 2.990 . 4.180 2.928 2.589 3.422 . 0 0 "[ . 1 .]" 1
1893 3 93 VAL HA 3 93 VAL QG 3.130 . 4.460 2.344 2.167 2.418 . 0 0 "[ . 1 .]" 1
1894 3 93 VAL H 3 93 VAL QG 3.280 . 4.760 2.402 2.214 2.594 . 0 0 "[ . 1 .]" 1
1895 3 93 VAL HA 3 94 LEU HA 3.270 . 4.740 4.513 4.482 4.539 . 0 0 "[ . 1 .]" 1
1896 3 93 VAL HA 3 94 LEU HB2 3.320 . 4.840 4.603 4.201 4.840 . 1 0 "[ . 1 .]" 1
1897 3 93 VAL HB 3 94 LEU H 2.740 . 3.680 2.794 2.453 3.193 . 0 0 "[ . 1 .]" 1
1898 3 93 VAL H 3 94 LEU H 3.210 . 4.620 4.392 4.355 4.432 . 0 0 "[ . 1 .]" 1
1899 3 93 VAL QG 3 94 LEU H 3.550 . 5.300 2.804 2.100 3.429 . 0 0 "[ . 1 .]" 1
1900 3 93 VAL H 3 118 TYR H 3.190 . 4.590 17.211 17.005 17.360 12.770 1 15 [+**********-***] 1
1901 3 93 VAL QG 3 118 TYR H 3.600 . 5.400 11.069 10.326 11.646 6.246 9 15 [********+*****-] 1
1902 3 93 VAL QG 3 118 TYR QD 4.430 . 7.060 7.631 6.893 8.315 1.255 9 9 "[* * .-* +*** *.]" 1
1903 3 93 VAL QG 3 118 TYR QE 4.820 . 7.840 8.006 7.068 8.769 0.929 14 8 "[* * . - **** +.]" 1
1904 3 94 LEU H 3 94 LEU HB3 2.900 . 4.000 3.709 3.553 3.785 . 0 0 "[ . 1 .]" 1
1905 3 94 LEU HA 3 95 LYS HA 3.190 . 4.590 4.496 4.442 4.537 . 0 0 "[ . 1 .]" 1
1906 3 94 LEU HA 3 95 LYS QD 3.080 . 4.370 4.313 4.113 4.575 0.205 13 0 "[ . 1 .]" 1
1907 3 94 LEU HA 3 95 LYS H 2.530 . 3.260 2.238 2.181 2.324 . 0 0 "[ . 1 .]" 1
1908 3 94 LEU HB2 3 95 LYS H 2.850 . 3.900 4.271 4.132 4.427 0.527 9 2 "[ . +1 -]" 1
1909 3 94 LEU HB3 3 95 LYS H 2.690 . 3.580 3.593 3.398 4.128 0.548 9 1 "[ . +1 .]" 1
1910 3 94 LEU H 3 95 LYS HA 3.540 . 5.290 4.721 4.582 4.812 . 0 0 "[ . 1 .]" 1
1911 3 94 LEU H 3 95 LYS H 3.290 . 4.790 4.229 3.730 4.337 . 0 0 "[ . 1 .]" 1
1912 3 95 LYS H 3 95 LYS QD 2.780 . 3.760 3.525 2.673 3.773 0.013 13 0 "[ . 1 .]" 1
1913 3 95 LYS H 3 95 LYS QE 3.220 . 4.640 5.247 4.373 5.461 0.821 7 14 "[******+* ****-*]" 1
1914 3 95 LYS QD 3 96 THR H 3.650 . 5.500 4.412 4.254 4.637 . 0 0 "[ . 1 .]" 1
1915 3 95 LYS QZ 3 96 THR HA 3.420 . 5.040 8.184 6.097 8.514 3.474 5 15 [****+*-********] 1
1916 3 95 LYS QB 3 96 THR H 3.210 . 4.630 3.333 3.103 3.468 . 0 0 "[ . 1 .]" 1
1917 3 95 LYS QZ 3 97 MET HA 3.360 . 4.920 9.759 7.344 10.277 5.357 5 15 [****+*-********] 1
1918 3 95 LYS QZ 3 97 MET QB 3.280 . 4.760 9.889 7.619 10.302 5.542 5 15 [****+*-********] 1
1919 3 95 LYS QZ 3 97 MET H 3.000 . 4.210 9.758 7.551 10.150 5.940 5 15 [****+*-********] 1
1920 3 95 LYS QE 3 114 THR HA 3.330 . 4.870 20.976 20.572 21.284 16.414 6 15 [*****+*******-*] 1
1921 3 95 LYS QZ 3 114 THR HA 3.370 . 4.940 20.686 18.260 21.140 16.200 5 15 [****+*-********] 1
1922 3 95 LYS H 3 114 THR H 2.810 . 3.820 24.152 23.954 24.777 20.957 9 15 [*-******+******] 1
1923 3 95 LYS QD 3 115 ARG HA 3.520 . 5.250 18.355 18.130 18.607 13.357 8 15 [*******+***-***] 1
1924 3 95 LYS QE 3 115 ARG H 2.740 . 3.680 19.155 18.718 19.483 15.803 6 15 [*****+*******-*] 1
1925 3 95 LYS H 3 115 ARG H 3.250 . 4.710 19.857 19.618 20.500 15.790 9 15 [********+**-***] 1
1926 3 95 LYS QD 3 116 VAL HB 3.250 . 4.710 15.694 15.418 15.877 11.167 8 15 [*******+***-***] 1
1927 3 95 LYS QE 3 116 VAL HB 3.400 . 5.000 15.777 15.347 16.160 11.160 6 15 [*****+*******-*] 1
1928 3 95 LYS H 3 116 VAL H 3.190 . 4.590 17.918 17.642 18.284 13.694 9 15 [********+**-***] 1
1929 3 96 THR HA 3 97 MET HA 3.040 . 4.290 4.428 4.369 4.464 0.174 12 0 "[ . 1 .]" 1
1930 3 96 THR H 3 97 MET HA 3.280 . 4.760 4.980 4.904 5.044 0.284 13 0 "[ . 1 .]" 1
1931 3 96 THR HA 3 113 ALA HA 3.130 . 4.460 21.165 21.026 21.340 16.880 3 15 [**+******-*****] 1
1932 3 96 THR HA 3 114 THR H 2.960 . 4.120 19.422 19.281 19.622 15.502 3 15 [**+-***********] 1
1933 3 96 THR H 3 114 THR H 3.650 . 5.500 20.518 20.312 20.743 15.243 3 15 [*-+************] 1
1934 3 97 MET H 3 97 MET QB 2.950 . 4.100 2.429 2.297 2.622 . 0 0 "[ . 1 .]" 1
1935 3 97 MET H 3 98 TRP H 3.410 . 5.020 4.302 4.245 4.353 . 0 0 "[ . 1 .]" 1
1936 3 97 MET H 3 112 LYS H 3.030 . 4.260 21.465 21.278 21.761 17.501 3 15 [*-+************] 1
1937 3 97 MET QB 3 112 LYS H 3.870 . 5.940 16.962 16.699 17.284 11.344 14 15 [***-*********+*] 1
1938 3 97 MET H 3 113 ALA HA 2.940 . 4.090 18.905 18.737 19.082 14.992 3 15 [**+*****-******] 1
1939 3 97 MET H 3 114 THR H 3.440 . 5.090 17.170 17.026 17.405 12.315 3 15 [**+-***********] 1
1940 3 98 TRP HA 3 98 TRP HD1 3.250 . 4.710 4.142 4.072 4.183 . 0 0 "[ . 1 .]" 1
1941 3 98 TRP H 3 98 TRP HD1 3.640 . 5.480 2.969 2.847 3.069 . 0 0 "[ . 1 .]" 1
1942 3 98 TRP H 3 99 LEU H 3.590 . 5.380 4.442 4.389 4.473 . 0 0 "[ . 1 .]" 1
1943 3 98 TRP QB 3 99 LEU H 3.510 . 5.220 2.316 2.253 2.384 . 0 0 "[ . 1 .]" 1
1944 3 98 TRP HD1 3 99 LEU H 3.350 . 4.910 5.548 5.518 5.576 0.666 9 15 [********+*****-] 1
1945 3 98 TRP HA 3 110 ASP HA 3.540 . 5.280 17.060 16.803 17.234 11.954 3 15 [**+*-**********] 1
1946 3 98 TRP HA 3 110 ASP QB 3.730 . 5.670 16.286 15.609 16.683 11.013 3 15 [*-+************] 1
1947 3 98 TRP HD1 3 110 ASP QB 3.720 . 5.640 18.681 18.007 19.009 13.369 6 15 [*-***+*********] 1
1948 3 98 TRP QB 3 111 TRP HA 3.890 . 5.980 15.633 15.459 15.888 9.908 6 15 [*-***+*********] 1
1949 3 98 TRP HD1 3 111 TRP HA 3.560 . 5.330 19.086 18.769 19.284 13.954 9 15 [*-******+******] 1
1950 3 99 LEU H 3 99 LEU QB 3.140 . 4.480 2.771 2.706 2.817 . 0 0 "[ . 1 .]" 1
1951 3 99 LEU HA 3 100 LEU H 2.520 . 3.230 2.076 2.036 2.133 . 0 0 "[ . 1 .]" 1
1952 3 99 LEU QB 3 100 LEU H 2.920 . 4.040 3.699 3.658 3.747 . 0 0 "[ . 1 .]" 1
1953 3 99 LEU QB 3 101 ARG QG 4.110 . 6.420 6.242 4.605 6.972 0.552 14 1 "[ . 1 +.]" 1
1954 3 99 LEU HA 3 110 ASP HA 3.650 . 5.500 13.016 12.768 13.193 7.693 3 15 [**+*-**********] 1
1955 3 99 LEU HA 3 110 ASP QB 3.730 . 5.660 12.829 12.165 13.230 7.570 6 15 [*-***+*********] 1
1956 3 99 LEU QB 3 110 ASP QB 3.330 . 4.860 11.236 10.638 11.606 6.746 7 15 [*-****+********] 1
1957 3 99 LEU H 3 110 ASP HA 3.020 . 4.250 15.004 14.734 15.166 10.916 6 15 [****-+*********] 1
1958 3 99 LEU H 3 110 ASP QB 3.420 . 5.040 14.513 13.843 14.924 9.884 6 15 [*-***+*********] 1
1959 3 99 LEU QB 3 110 ASP HA 3.370 . 4.940 11.735 11.519 11.910 6.970 7 15 [****-*+********] 1
1960 3 99 LEU H 3 111 TRP HA 3.130 . 4.460 15.288 15.114 15.518 11.058 6 15 [*-***+*********] 1
1961 3 100 LEU H 3 100 LEU QB 3.060 . 4.330 2.535 2.481 2.626 . 0 0 "[ . 1 .]" 1
1962 3 100 LEU HA 3 101 ARG HA 3.290 . 4.790 4.289 4.231 4.350 . 0 0 "[ . 1 .]" 1
1963 3 100 LEU HA 3 101 ARG H 2.600 . 3.410 1.990 1.906 2.059 . 0 0 "[ . 1 .]" 1
1964 3 100 LEU HA 3 101 ARG QG 4.380 . 6.960 5.355 3.935 5.725 . 0 0 "[ . 1 .]" 1
1965 3 101 ARG HA 3 101 ARG QG 3.380 . 4.960 2.605 2.319 2.942 . 0 0 "[ . 1 .]" 1
1966 3 101 ARG H 3 101 ARG QG 3.410 . 5.020 4.117 3.316 4.325 . 0 0 "[ . 1 .]" 1
1967 3 101 ARG QG 3 102 SER H 3.730 . 5.670 3.342 2.863 4.277 . 0 0 "[ . 1 .]" 1
1968 3 101 ARG HA 3 106 ASP QB 3.390 . 4.980 12.599 12.130 12.923 7.943 3 15 [**+********-***] 1
1969 3 101 ARG QG 3 106 ASP QB 3.150 . 4.500 10.884 9.973 12.468 7.968 7 15 [******+****-***] 1
1970 3 101 ARG QG 3 106 ASP H 4.430 . 7.060 10.280 9.117 12.289 5.229 7 15 [******+****-***] 1
1971 3 101 ARG QG 3 107 ILE HA 3.480 . 5.170 9.456 8.904 10.902 5.732 7 15 [******+*******-] 1
1972 3 101 ARG QG 3 107 ILE H 4.250 . 6.710 11.513 10.659 13.192 6.482 7 15 [******+****-***] 1
1973 3 101 ARG QG 3 107 ILE HB 4.120 . 6.430 11.106 10.479 12.569 6.139 7 15 [******+*******-] 1
1974 3 101 ARG QG 3 109 ASP H 4.120 . 6.450 10.118 9.581 11.599 5.149 7 15 [*-****+********] 1
1975 3 101 ARG HA 3 110 ASP QB 3.630 . 5.460 8.079 7.268 8.596 3.136 3 15 [*-+************] 1
1976 3 101 ARG QG 3 110 ASP QB 3.520 . 5.240 6.534 5.393 7.918 2.678 7 12 "[* ****+ *****-.]" 1
1977 3 101 ARG QG 3 110 ASP HA 3.820 . 5.840 6.348 5.794 7.652 1.812 7 4 "[ **- + 1 .]" 1
1978 3 101 ARG QG 3 110 ASP H 4.100 . 6.400 8.776 8.237 10.090 3.690 7 15 [*-****+********] 1
1979 3 102 SER H 3 103 SER H 2.810 . 3.830 4.634 4.546 4.747 0.917 8 15 [******-+*******] 1
1980 3 102 SER QB 3 103 SER H 3.190 . 4.580 2.455 1.909 3.196 . 0 0 "[ . 1 .]" 1
1981 3 103 SER H 3 103 SER QB 2.340 . 2.880 2.623 2.359 3.078 0.198 9 0 "[ . 1 .]" 1
1982 3 103 SER HA 3 104 VAL HA 3.260 . 4.720 4.632 4.535 4.797 0.077 15 0 "[ . 1 .]" 1
1983 3 103 SER HA 3 104 VAL HB 3.600 . 5.410 5.579 4.423 6.042 0.632 11 8 "[ * **- **+* .]" 1
1984 3 103 SER HA 3 104 VAL H 2.460 . 3.120 2.342 2.167 2.655 . 0 0 "[ . 1 .]" 1
1985 3 103 SER HA 3 104 VAL QG 3.460 . 5.130 3.837 3.598 4.432 . 0 0 "[ . 1 .]" 1
1986 3 103 SER QB 3 104 VAL QG 4.020 . 5.540 4.740 4.537 5.182 . 0 0 "[ . 1 .]" 1
1987 3 103 SER QB 3 104 VAL H 2.610 . 3.420 3.940 3.744 4.097 0.677 2 9 "[ +*-.*** * **]" 1
1988 3 103 SER H 3 104 VAL H 3.230 . 4.670 3.643 3.261 3.841 . 0 0 "[ . 1 .]" 1
1989 3 103 SER HA 3 105 ASN H 2.870 . 3.940 6.176 3.178 6.479 2.539 2 14 "[*+******-** ***]" 1
1990 3 103 SER QB 3 105 ASN H 2.720 . 3.640 6.278 3.573 6.853 3.213 7 14 "[***-**+**** ***]" 1
1991 3 104 VAL HA 3 104 VAL QG 2.890 . 3.970 2.144 1.955 2.235 . 0 0 "[ . 1 .]" 1
1992 3 104 VAL H 3 104 VAL HB 2.580 . 3.360 3.368 2.193 3.855 0.495 11 0 "[ . 1 .]" 1
1993 3 104 VAL H 3 104 VAL QG 2.960 . 4.130 2.169 1.829 2.960 . 0 0 "[ . 1 .]" 1
1994 3 104 VAL HB 3 105 ASN H 3.020 . 4.240 2.784 1.944 4.298 0.058 15 0 "[ . 1 .]" 1
1995 3 104 VAL H 3 105 ASN H 2.840 . 3.880 4.448 2.443 4.725 0.845 14 14 "[********-** *+*]" 1
1996 3 104 VAL QG 3 105 ASN H 3.050 . 4.300 2.604 1.781 3.111 0.019 1 0 "[ . 1 .]" 1
1997 3 104 VAL QG 3 105 ASN HA 3.770 . 5.750 3.933 3.616 4.527 . 0 0 "[ . 1 .]" 1
1998 3 104 VAL H 3 106 ASP H 3.280 . 4.760 5.651 4.727 6.043 1.283 6 13 "[-****+**** ***]" 1
1999 3 104 VAL QG 3 106 ASP H 4.050 . 6.300 2.730 1.763 3.621 0.037 1 0 "[ . 1 .]" 1
2000 3 105 ASN H 3 106 ASP H 2.670 . 3.530 2.279 1.817 3.450 . 0 0 "[ . 1 .]" 1
2001 3 105 ASN H 3 107 ILE H 3.190 . 4.580 6.574 6.168 7.250 2.670 15 15 [********-*****+] 1
2002 3 106 ASP H 3 106 ASP QB 2.500 . 3.200 2.476 2.332 2.795 . 0 0 "[ . 1 .]" 1
2003 3 106 ASP H 3 107 ILE H 2.580 . 3.360 4.486 4.288 4.562 1.202 14 15 [-************+*] 1
2004 3 106 ASP HA 3 108 GLY H 3.050 . 4.300 3.863 3.752 3.954 . 0 0 "[ . 1 .]" 1
2005 3 106 ASP H 3 108 GLY H 3.110 . 4.420 5.012 4.820 5.284 0.864 12 11 "[** *-*** **+ *.]" 1
2006 3 106 ASP HA 3 109 ASP H 3.090 . 4.380 4.838 4.694 5.052 0.672 4 6 "[* -+. ** * .]" 1
2007 3 107 ILE H 3 107 ILE HB 3.070 . 4.340 2.495 2.370 2.631 . 0 0 "[ . 1 .]" 1
2008 3 107 ILE H 3 108 GLY H 2.660 . 3.520 2.588 2.360 2.777 . 0 0 "[ . 1 .]" 1
2009 3 107 ILE HB 3 108 GLY H 3.250 . 4.700 4.142 4.039 4.233 . 0 0 "[ . 1 .]" 1
2010 3 107 ILE HA 3 110 ASP QB 3.170 . 4.540 3.151 2.955 3.509 . 0 0 "[ . 1 .]" 1
2011 3 107 ILE HB 3 110 ASP QB 4.190 . 6.580 5.252 4.996 5.654 . 0 0 "[ . 1 .]" 1
2012 3 108 GLY H 3 109 ASP H 2.800 . 3.800 2.782 2.604 2.903 . 0 0 "[ . 1 .]" 1
2013 3 108 GLY H 3 110 ASP H 3.140 . 4.480 4.472 4.265 4.580 0.100 10 0 "[ . 1 .]" 1
2014 3 109 ASP H 3 109 ASP QB 3.150 . 4.500 2.542 2.487 2.583 . 0 0 "[ . 1 .]" 1
2015 3 109 ASP HB2 3 110 ASP H 3.250 . 4.710 3.948 3.783 4.111 . 0 0 "[ . 1 .]" 1
2016 3 109 ASP HB3 3 110 ASP H 3.250 . 4.710 4.258 4.168 4.374 . 0 0 "[ . 1 .]" 1
2017 3 109 ASP H 3 110 ASP HA 3.380 . 4.960 4.561 4.481 4.676 . 0 0 "[ . 1 .]" 1
2018 3 109 ASP H 3 110 ASP H 2.490 . 3.180 2.201 2.139 2.330 . 0 0 "[ . 1 .]" 1
2019 3 109 ASP H 3 110 ASP QB 3.290 . 4.780 3.835 3.716 4.086 . 0 0 "[ . 1 .]" 1
2020 3 110 ASP H 3 110 ASP QB 2.910 . 4.020 2.157 2.028 2.277 . 0 0 "[ . 1 .]" 1
2021 3 110 ASP HA 3 111 TRP HA 3.650 . 5.500 4.990 4.931 5.023 . 0 0 "[ . 1 .]" 1
2022 3 110 ASP H 3 111 TRP H 2.750 . 3.690 2.683 2.645 2.711 . 0 0 "[ . 1 .]" 1
2023 3 110 ASP QB 3 111 TRP HA 3.940 . 6.080 4.442 4.118 4.948 . 0 0 "[ . 1 .]" 1
2024 3 110 ASP QB 3 111 TRP H 3.330 . 4.870 2.984 2.617 3.538 . 0 0 "[ . 1 .]" 1
2025 3 111 TRP HA 3 112 LYS H 2.600 . 3.400 3.563 3.519 3.602 0.202 12 0 "[ . 1 .]" 1
2026 3 111 TRP HA 3 112 LYS QB 3.500 . 5.200 5.358 5.235 5.463 0.263 10 0 "[ . 1 .]" 1
2027 3 112 LYS HA 3 112 LYS QD 3.230 . 4.660 4.364 4.162 4.540 . 0 0 "[ . 1 .]" 1
2028 3 112 LYS HA 3 112 LYS QG 2.940 . 4.080 3.373 3.320 3.434 . 0 0 "[ . 1 .]" 1
2029 3 112 LYS H 3 112 LYS HB2 2.890 . 3.970 3.684 3.633 3.739 . 0 0 "[ . 1 .]" 1
2030 3 112 LYS H 3 112 LYS HB3 2.890 . 3.970 2.797 2.506 3.067 . 0 0 "[ . 1 .]" 1
2031 3 113 ALA HA 3 114 THR H 2.520 . 3.240 3.318 3.249 3.367 0.127 1 0 "[ . 1 .]" 1
2032 3 113 ALA H 3 114 THR H 3.210 . 4.620 2.703 2.617 2.753 . 0 0 "[ . 1 .]" 1
2033 3 114 THR H 3 115 ARG H 3.170 . 4.540 4.492 4.456 4.558 0.018 1 0 "[ . 1 .]" 1
2034 3 114 THR HA 3 115 ARG H 2.770 . 3.730 2.153 2.051 2.291 . 0 0 "[ . 1 .]" 1
2035 3 114 THR HA 3 115 ARG QD 4.520 . 7.240 4.984 2.745 6.674 . 0 0 "[ . 1 .]" 1
2036 3 115 ARG HA 3 115 ARG QD 3.980 . 6.170 3.756 3.475 3.930 . 0 0 "[ . 1 .]" 1
2037 3 115 ARG H 3 115 ARG QD 3.750 . 5.710 4.138 2.583 5.224 . 0 0 "[ . 1 .]" 1
2038 3 115 ARG H 3 115 ARG HE 4.430 . 7.060 5.390 4.613 6.646 . 0 0 "[ . 1 .]" 1
2039 3 115 ARG HA 3 116 VAL H 2.600 . 3.400 2.323 2.142 2.470 . 0 0 "[ . 1 .]" 1
2040 3 115 ARG HB2 3 116 VAL H 3.170 . 4.550 4.098 3.467 4.610 0.060 1 0 "[ . 1 .]" 1
2041 3 115 ARG HB3 3 116 VAL H 3.170 . 4.550 3.415 2.778 4.482 . 0 0 "[ . 1 .]" 1
2042 3 115 ARG H 3 116 VAL H 3.200 . 4.600 4.332 4.170 4.519 . 0 0 "[ . 1 .]" 1
2043 3 115 ARG QD 3 116 VAL HA 4.160 . 6.520 6.211 4.972 6.810 0.290 10 0 "[ . 1 .]" 1
2044 3 115 ARG QD 3 116 VAL H 4.110 . 6.420 5.058 4.361 5.438 . 0 0 "[ . 1 .]" 1
2045 3 116 VAL HA 3 117 GLY H 2.650 . 3.500 2.215 2.160 2.289 . 0 0 "[ . 1 .]" 1
2046 3 116 VAL H 3 117 GLY H 3.080 . 4.360 4.479 4.366 4.561 0.201 6 0 "[ . 1 .]" 1
2047 3 117 GLY H 3 118 TYR H 3.290 . 4.790 4.433 4.363 4.530 . 0 0 "[ . 1 .]" 1
2048 3 118 TYR HA 3 118 TYR QD 4.090 . 6.380 3.743 3.669 3.771 . 0 0 "[ . 1 .]" 1
2049 3 118 TYR H 3 118 TYR QD 4.070 . 6.340 2.520 2.357 2.696 . 0 0 "[ . 1 .]" 1
2050 3 118 TYR HA 3 119 ASN H 2.570 . 3.340 2.257 2.218 2.313 . 0 0 "[ . 1 .]" 1
2051 3 118 TYR QB 3 119 ASN H 3.050 . 4.180 2.730 2.527 2.892 . 0 0 "[ . 1 .]" 1
2052 3 119 ASN HA 3 120 ILE HA 3.190 . 4.590 4.502 4.432 4.543 . 0 0 "[ . 1 .]" 1
2053 3 119 ASN HA 3 120 ILE H 2.650 . 3.500 2.245 2.107 2.329 . 0 0 "[ . 1 .]" 1
2054 3 120 ILE HA 3 121 PHE H 2.520 . 3.230 2.119 2.030 2.199 . 0 0 "[ . 1 .]" 1
2055 3 120 ILE H 3 121 PHE H 3.560 . 5.320 4.268 4.134 4.354 . 0 0 "[ . 1 .]" 1
2056 3 121 PHE HA 3 121 PHE QB 2.370 . 2.940 2.344 2.253 2.512 . 0 0 "[ . 1 .]" 1
2057 3 121 PHE HA 3 121 PHE QD 3.400 . 5.000 3.166 2.580 3.456 . 0 0 "[ . 1 .]" 1
2058 3 121 PHE H 3 121 PHE QB 2.420 . 3.030 2.640 2.322 2.844 . 0 0 "[ . 1 .]" 1
2059 3 121 PHE H 3 121 PHE QD 4.110 . 6.420 2.752 2.186 3.553 . 0 0 "[ . 1 .]" 1
2060 3 121 PHE QD 3 122 THR HB 4.170 . 6.540 7.352 6.612 7.622 1.082 8 12 "[*****-*+ ** **.]" 1
2061 3 122 THR HA 3 122 THR HB 2.640 . 3.480 2.504 2.438 2.576 . 0 0 "[ . 1 .]" 1
2062 3 122 THR HA 3 122 THR HG1 3.150 . 4.500 2.281 2.210 2.381 . 0 0 "[ . 1 .]" 1
2063 3 123 ARG HA 3 123 ARG HG2 3.040 . 4.290 2.649 2.584 2.719 . 0 0 "[ . 1 .]" 1
2064 3 124 LEU HA 3 124 LEU HG 3.430 . 5.060 2.356 2.136 2.789 . 0 0 "[ . 1 .]" 1
2065 3 125 ARG HA 3 125 ARG QD 3.020 . 4.250 3.156 2.142 3.458 . 0 0 "[ . 1 .]" 1
2066 3 125 ARG HA 3 126 THR H 2.540 . 3.270 2.671 2.087 3.570 0.300 15 0 "[ . 1 .]" 1
2067 3 125 ARG QB 3 126 THR H 3.570 . 5.340 3.367 2.033 4.071 . 0 0 "[ . 1 .]" 1
2068 4 3 VAL HA 4 3 VAL HB 2.770 . 3.740 2.673 2.364 3.049 . 0 0 "[ . 1 .]" 1
2069 4 3 VAL HA 4 3 VAL QG 3.060 . 4.320 2.215 2.118 2.320 . 0 0 "[ . 1 .]" 1
2070 4 3 VAL H 4 3 VAL HB 3.300 . 4.800 3.502 2.529 3.963 . 0 0 "[ . 1 .]" 1
2071 4 3 VAL HB 4 4 ALA H 3.440 . 5.080 3.842 1.844 4.558 . 0 0 "[ . 1 .]" 1
2072 4 4 ALA HA 4 5 ARG H 2.600 . 3.400 2.830 2.118 3.588 0.188 5 0 "[ . 1 .]" 1
2073 4 4 ALA H 4 5 ARG H 3.120 . 4.440 3.747 1.656 4.648 0.208 9 0 "[ . 1 .]" 1
2074 4 5 ARG HA 4 5 ARG QB 2.670 . 3.540 2.230 1.906 2.559 . 0 0 "[ . 1 .]" 1
2075 4 5 ARG H 4 5 ARG QB 3.180 . 4.560 3.070 2.471 3.550 . 0 0 "[ . 1 .]" 1
2076 4 5 ARG HA 4 6 LYS H 2.560 . 3.320 2.694 2.162 3.522 0.202 12 0 "[ . 1 .]" 1
2077 4 5 ARG HA 4 6 LYS QD 4.020 . 6.240 6.396 4.051 7.034 0.794 2 6 "[ + * ** * -]" 1
2078 4 5 ARG QB 4 6 LYS H 3.120 . 4.450 3.805 2.893 4.120 . 0 0 "[ . 1 .]" 1
2079 4 5 ARG HA 4 7 CYS H 2.950 . 4.100 5.946 5.324 6.650 2.550 12 15 [******-****+***] 1
2080 4 6 LYS HA 4 6 LYS QD 3.400 . 5.000 3.738 2.587 3.924 . 0 0 "[ . 1 .]" 1
2081 4 6 LYS H 4 6 LYS QD 4.040 . 6.280 4.709 2.933 5.171 . 0 0 "[ . 1 .]" 1
2082 4 6 LYS QB 4 7 CYS H 2.600 . 3.400 3.344 2.547 3.943 0.543 7 2 "[ . +- 1 .]" 1
2083 4 6 LYS H 4 7 CYS H 2.640 . 3.480 4.137 3.803 4.522 1.042 10 11 "[-***.* **+*** .]" 1
2084 4 6 LYS QD 4 7 CYS H 4.310 . 6.820 4.643 3.586 5.239 . 0 0 "[ . 1 .]" 1
2085 4 6 LYS QD 4 23 ILE QG 5.490 . 9.180 10.590 9.212 11.614 2.434 4 12 "[*-*+.** ******.]" 1
2086 4 6 LYS QB 4 29 ARG HE 4.650 . 7.500 19.196 16.605 20.324 12.824 1 15 [+****-*********] 1
2087 4 6 LYS QD 4 29 ARG HE 5.120 . 8.430 18.155 15.709 20.557 12.127 3 15 [**+**-*********] 1
2088 4 6 LYS QD 4 53 LEU QB 3.790 . 5.790 19.150 17.495 20.686 14.896 3 15 [**+***********-] 1
2089 4 6 LYS QD 4 53 LEU HA 4.140 . 6.490 19.225 17.367 20.859 14.369 3 15 [**+***********-] 1
2090 4 6 LYS QD 4 62 GLN QB 4.060 . 6.290 8.577 6.446 9.634 3.344 7 14 "[*** **+*-******]" 1
2091 4 6 LYS QD 4 62 GLN QE 4.290 . 6.780 8.992 7.630 11.420 4.640 1 15 [+*******-******] 1
2092 4 6 LYS QD 4 62 GLN HA 4.580 . 7.360 8.026 6.559 9.257 1.897 3 9 "[**+ . ** 1*-**.]" 1
2093 4 6 LYS QD 4 81 THR HB 4.390 . 6.980 18.847 17.220 20.634 13.654 3 15 [**+***********-] 1
2094 4 6 LYS HA 4 91 LYS QD 3.630 . 5.460 13.173 11.606 14.111 8.651 10 15 [-********+*****] 1
2095 4 6 LYS QD 4 91 LYS QD 4.460 . 7.120 13.489 11.544 15.203 8.083 10 15 [**-******+*****] 1
2096 4 7 CYS HA 4 8 SER H 2.540 . 3.280 2.241 2.064 2.386 . 0 0 "[ . 1 .]" 1
2097 4 7 CYS H 4 8 SER H 3.100 . 4.400 4.425 4.299 4.494 0.094 12 0 "[ . 1 .]" 1
2098 4 7 CYS HA 4 23 ILE QG 4.250 . 6.710 9.496 9.219 9.711 3.001 12 15 [-**********+***] 1
2099 4 8 SER H 4 9 LEU H 2.950 . 4.100 4.312 4.083 4.466 0.366 15 0 "[ . 1 .]" 1
2100 4 8 SER HA 4 9 LEU H 2.880 . 3.960 2.164 2.053 2.309 . 0 0 "[ . 1 .]" 1
2101 4 8 SER H 4 20 ASN H 2.850 . 3.900 17.843 17.646 17.977 14.077 10 15 [*********+*-***] 1
2102 4 9 LEU HA 4 9 LEU QD 3.330 . 4.860 2.260 2.120 2.663 . 0 0 "[ . 1 .]" 1
2103 4 9 LEU HA 4 9 LEU HG 3.060 . 4.320 3.139 2.558 3.409 . 0 0 "[ . 1 .]" 1
2104 4 9 LEU H 4 9 LEU QB 3.040 . 4.280 2.545 2.269 2.797 . 0 0 "[ . 1 .]" 1
2105 4 9 LEU HA 4 10 THR H 2.530 . 3.260 3.505 3.429 3.545 0.285 2 0 "[ . 1 .]" 1
2106 4 9 LEU QB 4 10 THR H 3.140 . 4.480 2.961 2.747 3.228 . 0 0 "[ . 1 .]" 1
2107 4 9 LEU H 4 10 THR H 3.340 . 4.880 2.799 2.624 3.129 . 0 0 "[ . 1 .]" 1
2108 4 9 LEU QD 4 10 THR H 3.600 . 5.400 4.312 4.220 4.387 . 0 0 "[ . 1 .]" 1
2109 4 9 LEU HG 4 10 THR H 2.880 . 3.960 4.567 4.313 4.868 0.908 1 11 "[+***.***-** *]" 1
2110 4 9 LEU HA 4 19 SER HA 2.680 . 3.560 15.349 15.137 15.808 12.248 8 15 [****-**+*******] 1
2111 4 9 LEU QB 4 19 SER HA 3.420 . 5.040 13.743 13.152 13.954 8.914 1 15 [+***-**********] 1
2112 4 9 LEU H 4 19 SER HA 3.460 . 5.120 17.960 17.683 18.399 13.279 8 15 [****-**+*******] 1
2113 4 9 LEU QD 4 19 SER HA 3.710 . 5.620 11.317 11.021 11.639 6.019 8 15 [******-+*******] 1
2114 4 9 LEU HG 4 19 SER HA 3.230 . 4.670 16.902 16.179 17.378 12.708 8 15 [-******+*******] 1
2115 4 9 LEU HA 4 20 ASN H 2.900 . 4.000 13.857 13.574 14.107 10.107 3 15 [**+***-********] 1
2116 4 9 LEU QB 4 20 ASN H 3.920 . 6.040 12.340 11.807 12.647 6.607 3 15 [**+*-**********] 1
2117 4 9 LEU QB 4 121 PHE QD 4.630 . 7.460 7.589 7.044 7.946 0.486 1 0 "[ . 1 .]" 1
2118 4 9 LEU QD 4 121 PHE QD 3.650 . 5.500 5.454 5.121 5.781 0.281 9 0 "[ . 1 .]" 1
2119 4 10 THR HA 4 11 GLY H 2.590 . 3.380 2.073 1.986 2.262 . 0 0 "[ . 1 .]" 1
2120 4 10 THR H 4 11 GLY H 3.230 . 4.670 4.422 4.347 4.454 . 0 0 "[ . 1 .]" 1
2121 4 10 THR H 4 19 SER HA 2.830 . 3.870 17.815 17.637 18.082 14.212 8 15 [*****-*+*******] 1
2122 4 10 THR HA 4 118 TYR QD 4.680 . 7.560 19.792 19.359 20.220 12.660 14 15 [*************+-] 1
2123 4 10 THR HA 4 120 ILE HA 2.560 . 3.330 15.940 15.418 16.189 12.859 4 15 [***+**********-] 1
2124 4 10 THR HA 4 121 PHE HA 3.270 . 4.740 13.685 12.963 14.010 9.270 4 15 [***+**********-] 1
2125 4 10 THR HA 4 121 PHE QB 2.610 . 3.420 10.133 9.635 10.407 6.987 4 15 [***+**********-] 1
2126 4 10 THR HA 4 121 PHE H 2.710 . 3.610 14.023 13.542 14.350 10.740 4 15 [***+**********-] 1
2127 4 10 THR HA 4 121 PHE QD 4.200 . 6.600 10.890 10.291 11.150 4.550 4 15 [***+**********-] 1
2128 4 10 THR H 4 121 PHE H 3.400 . 5.000 13.362 12.965 13.652 8.652 1 15 [+***-**********] 1
2129 4 10 THR H 4 121 PHE QD 4.420 . 7.040 10.971 10.561 11.227 4.187 3 15 [**+***********-] 1
2130 4 11 GLY H 4 12 LYS H 3.110 . 4.420 3.565 1.933 4.146 . 0 0 "[ . 1 .]" 1
2131 4 11 GLY H 4 118 TYR HA 3.130 . 4.460 20.427 20.124 20.641 16.181 3 15 [**+*******-****] 1
2132 4 11 GLY H 4 119 ASN H 2.830 . 3.850 18.561 18.258 18.690 14.840 1 15 [+*********-****] 1
2133 4 11 GLY H 4 121 PHE QB 3.250 . 4.710 9.649 9.140 9.929 5.219 4 15 [***+**********-] 1
2134 4 11 GLY H 4 121 PHE H 3.080 . 4.360 13.708 13.132 14.055 9.695 4 15 [***+**********-] 1
2135 4 11 GLY H 4 121 PHE QD 4.220 . 6.650 10.317 9.738 10.551 3.901 4 15 [***+**********-] 1
2136 4 12 LYS HB2 4 13 TRP H 3.030 . 4.260 4.139 3.934 4.327 0.067 4 0 "[ . 1 .]" 1
2137 4 12 LYS HB3 4 13 TRP H 3.030 . 4.260 3.413 2.725 3.864 . 0 0 "[ . 1 .]" 1
2138 4 12 LYS H 4 13 TRP H 3.190 . 4.580 4.297 4.080 4.388 . 0 0 "[ . 1 .]" 1
2139 4 12 LYS QB 4 13 TRP H 3.170 . 4.540 3.242 2.684 3.532 . 0 0 "[ . 1 .]" 1
2140 4 12 LYS H 4 16 ASP H 2.940 . 4.080 13.996 13.774 14.488 10.408 10 15 [***-*****+*****] 1
2141 4 12 LYS H 4 18 GLY H 3.380 . 4.960 15.156 15.016 15.393 10.433 10 15 [*********+*-***] 1
2142 4 12 LYS HA 4 118 TYR HA 2.830 . 3.860 18.141 17.926 18.324 14.464 3 15 [**+*******-****] 1
2143 4 12 LYS HA 4 118 TYR QD 4.290 . 6.790 17.216 16.873 17.445 10.655 14 15 [*************+-] 1
2144 4 12 LYS H 4 118 TYR QD 4.160 . 6.520 18.317 17.748 18.669 12.149 10 15 [*********+****-] 1
2145 4 12 LYS QB 4 118 TYR HA 3.740 . 5.680 17.863 17.407 18.136 12.456 14 15 [*********-***+*] 1
2146 4 13 TRP H 4 13 TRP QB 3.250 . 4.710 2.763 2.647 2.844 . 0 0 "[ . 1 .]" 1
2147 4 13 TRP H 4 14 THR H 2.940 . 4.080 4.429 4.393 4.463 0.383 5 0 "[ . 1 .]" 1
2148 4 13 TRP QB 4 14 THR H 3.520 . 5.240 2.430 2.354 2.515 . 0 0 "[ . 1 .]" 1
2149 4 13 TRP H 4 15 ASN H 3.300 . 4.800 7.107 7.014 7.265 2.465 13 15 [***********-+**] 1
2150 4 13 TRP QB 4 117 GLY H 3.840 . 5.880 15.179 15.011 15.381 9.501 5 15 [****+***-******] 1
2151 4 14 THR H 4 14 THR HB 3.090 . 4.380 3.309 3.044 3.490 . 0 0 "[ . 1 .]" 1
2152 4 14 THR H 4 15 ASN H 2.660 . 3.520 4.367 4.331 4.410 0.890 4 15 [***+-**********] 1
2153 4 14 THR H 4 15 ASN HA 3.670 . 5.550 4.705 4.579 4.778 . 0 0 "[ . 1 .]" 1
2154 4 14 THR HB 4 15 ASN H 3.550 . 5.300 3.989 3.829 4.163 . 0 0 "[ . 1 .]" 1
2155 4 14 THR H 4 16 ASP H 2.850 . 3.890 6.678 6.555 6.877 2.987 11 15 [****-*****+****] 1
2156 4 14 THR HB 4 16 ASP H 3.330 . 4.860 7.522 7.293 7.737 2.877 11 15 [********-*+****] 1
2157 4 14 THR HB 4 37 ILE MG 4.160 . 6.520 8.160 7.466 8.709 2.189 4 15 [***+-**********] 1
2158 4 15 ASN H 4 16 ASP H 2.590 . 3.380 4.494 4.434 4.573 1.193 11 15 [*******-**+****] 1
2159 4 15 ASN H 4 36 TYR QB 3.960 . 6.120 9.411 9.106 9.600 3.480 6 15 [*****+**-******] 1
2160 4 15 ASN HA 4 36 TYR QB 3.730 . 5.660 10.684 10.313 11.059 5.399 8 15 [***-***+*******] 1
2161 4 16 ASP H 4 16 ASP QB 2.810 . 3.810 2.400 1.994 2.564 . 0 0 "[ . 1 .]" 1
2162 4 16 ASP HA 4 17 LEU H 2.610 . 3.420 3.509 3.450 3.541 0.121 10 0 "[ . 1 .]" 1
2163 4 16 ASP QB 4 17 LEU H 2.960 . 4.130 3.144 2.869 3.673 . 0 0 "[ . 1 .]" 1
2164 4 16 ASP H 4 17 LEU H 3.190 . 4.590 2.812 2.545 3.012 . 0 0 "[ . 1 .]" 1
2165 4 16 ASP QB 4 17 LEU HA 3.890 . 5.980 4.287 4.056 4.700 . 0 0 "[ . 1 .]" 1
2166 4 16 ASP HA 4 35 THR HA 2.730 . 3.650 18.077 17.775 18.289 14.639 8 15 [*******+-******] 1
2167 4 16 ASP HA 4 35 THR MG 3.960 . 6.120 16.557 16.350 16.816 10.696 8 15 [*******+***-***] 1
2168 4 16 ASP QB 4 35 THR HA 3.040 . 4.280 17.128 16.630 17.377 13.097 11 15 [****-*****+****] 1
2169 4 16 ASP H 4 35 THR HA 3.240 . 4.680 16.632 16.344 16.882 12.202 15 15 [***-**********+] 1
2170 4 16 ASP HA 4 36 TYR H 2.940 . 4.080 16.626 16.346 16.814 12.734 15 15 [********-*****+] 1
2171 4 16 ASP HA 4 36 TYR QB 3.230 . 4.660 13.622 13.345 13.855 9.195 15 15 [********-*****+] 1
2172 4 16 ASP H 4 36 TYR QB 3.650 . 5.500 12.176 11.866 12.471 6.971 14 15 [*********-***+*] 1
2173 4 16 ASP HA 4 37 ILE H 3.580 . 5.370 12.486 12.172 12.676 7.306 8 15 [*******+-******] 1
2174 4 17 LEU H 4 17 LEU HB2 2.870 . 3.930 2.440 2.333 2.543 . 0 0 "[ . 1 .]" 1
2175 4 17 LEU H 4 17 LEU HB3 2.870 . 3.930 2.449 2.379 2.521 . 0 0 "[ . 1 .]" 1
2176 4 17 LEU H 4 17 LEU QB 3.050 . 4.300 2.177 2.098 2.236 . 0 0 "[ . 1 .]" 1
2177 4 17 LEU HA 4 18 GLY H 2.480 . 3.160 3.356 3.332 3.400 0.240 13 0 "[ . 1 .]" 1
2178 4 17 LEU HB2 4 18 GLY H 3.070 . 4.340 4.142 4.047 4.242 . 0 0 "[ . 1 .]" 1
2179 4 17 LEU HB3 4 18 GLY H 3.070 . 4.340 3.210 3.080 3.312 . 0 0 "[ . 1 .]" 1
2180 4 17 LEU H 4 18 GLY H 3.170 . 4.550 2.534 2.454 2.649 . 0 0 "[ . 1 .]" 1
2181 4 17 LEU H 4 34 GLY H 3.090 . 4.380 19.263 18.985 19.552 15.172 6 15 [*****+**-******] 1
2182 4 17 LEU H 4 35 THR HA 2.990 . 4.180 16.278 16.047 16.473 12.293 15 15 [***********-**+] 1
2183 4 17 LEU H 4 36 TYR QB 4.050 . 6.300 11.572 11.320 11.849 5.549 15 15 [***-**********+] 1
2184 4 17 LEU HA 4 121 PHE QD 4.200 . 6.600 8.928 8.646 9.171 2.571 15 15 [***-**********+] 1
2185 4 19 SER HA 4 20 ASN H 2.580 . 3.360 2.212 2.156 2.323 . 0 0 "[ . 1 .]" 1
2186 4 19 SER H 4 20 ASN H 3.110 . 4.420 4.631 4.603 4.670 0.250 11 0 "[ . 1 .]" 1
2187 4 19 SER H 4 32 PHE H 2.750 . 3.700 21.048 20.637 21.249 17.549 5 15 [****+*****-****] 1
2188 4 19 SER H 4 33 THR HA 2.940 . 4.080 18.447 18.117 18.669 14.589 8 15 [*******+**-****] 1
2189 4 19 SER H 4 49 LEU QD 4.130 . 6.460 9.925 9.651 10.167 3.707 15 15 [*-************+] 1
2190 4 20 ASN HA 4 21 MET H 2.500 . 3.190 2.193 2.063 2.272 . 0 0 "[ . 1 .]" 1
2191 4 20 ASN H 4 21 MET H 3.190 . 4.580 4.479 4.423 4.526 . 0 0 "[ . 1 .]" 1
2192 4 20 ASN HA 4 49 LEU QD 4.500 . 7.200 7.502 7.116 7.720 0.520 15 1 "[ . 1 +]" 1
2193 4 21 MET H 4 22 THR H 3.050 . 4.300 4.432 4.385 4.477 0.177 9 0 "[ . 1 .]" 1
2194 4 22 THR H 4 22 THR HB 3.050 . 4.300 2.754 2.672 2.820 . 0 0 "[ . 1 .]" 1
2195 4 22 THR HA 4 23 ILE H 2.440 . 3.070 2.170 2.085 2.217 . 0 0 "[ . 1 .]" 1
2196 4 22 THR HA 4 23 ILE QG 3.800 . 5.800 3.693 3.568 3.863 . 0 0 "[ . 1 .]" 1
2197 4 22 THR HB 4 23 ILE HA 3.600 . 5.400 4.714 4.612 4.839 . 0 0 "[ . 1 .]" 1
2198 4 22 THR HB 4 23 ILE H 3.030 . 4.260 4.059 3.968 4.115 . 0 0 "[ . 1 .]" 1
2199 4 23 ILE HA 4 23 ILE QG 3.030 . 4.260 2.408 2.369 2.461 . 0 0 "[ . 1 .]" 1
2200 4 23 ILE HA 4 23 ILE MG 3.030 . 4.260 2.502 2.420 2.557 . 0 0 "[ . 1 .]" 1
2201 4 23 ILE H 4 23 ILE HB 2.850 . 3.900 2.598 2.504 2.681 . 0 0 "[ . 1 .]" 1
2202 4 23 ILE H 4 23 ILE QG 3.400 . 5.000 3.070 3.028 3.102 . 0 0 "[ . 1 .]" 1
2203 4 23 ILE H 4 23 ILE MG 3.400 . 5.000 3.844 3.793 3.892 . 0 0 "[ . 1 .]" 1
2204 4 23 ILE H 4 23 ILE QG 3.550 . 5.300 2.954 2.917 2.985 . 0 0 "[ . 1 .]" 1
2205 4 23 ILE HA 4 24 GLY H 2.520 . 3.230 2.101 2.060 2.136 . 0 0 "[ . 1 .]" 1
2206 4 23 ILE HB 4 24 GLY H 3.050 . 4.300 4.319 4.274 4.354 0.054 9 0 "[ . 1 .]" 1
2207 4 23 ILE H 4 24 GLY H 3.250 . 4.700 4.241 4.204 4.311 . 0 0 "[ . 1 .]" 1
2208 4 23 ILE QG 4 26 VAL H 4.530 . 7.260 4.049 3.808 4.416 . 0 0 "[ . 1 .]" 1
2209 4 23 ILE QG 4 27 ASN H 3.900 . 6.000 5.987 5.836 6.236 0.236 4 0 "[ . 1 .]" 1
2210 4 23 ILE QG 4 28 SER H 4.220 . 6.650 9.300 9.051 9.528 2.878 4 15 [***+*****-*****] 1
2211 4 23 ILE HA 4 29 ARG HA 2.850 . 3.900 16.400 16.181 16.550 12.650 14 15 [********-****+*] 1
2212 4 23 ILE HA 4 29 ARG QB 3.170 . 4.540 13.580 13.267 13.994 9.454 13 15 [**********-*+**] 1
2213 4 23 ILE HA 4 29 ARG QD 4.230 . 6.660 14.893 13.702 15.351 8.691 13 15 [**********-*+**] 1
2214 4 23 ILE H 4 29 ARG QB 3.560 . 5.320 15.629 15.334 15.994 10.674 13 15 [**********-*+**] 1
2215 4 23 ILE QG 4 29 ARG QB 3.800 . 5.800 12.098 11.673 12.476 6.676 13 15 [*********-**+**] 1
2216 4 23 ILE QG 4 29 ARG QD 4.700 . 7.600 13.027 11.986 13.538 5.938 7 15 [******+***-****] 1
2217 4 23 ILE MG 4 29 ARG QB 3.800 . 5.800 9.663 9.442 9.983 4.183 13 15 [**********-*+**] 1
2218 4 23 ILE MG 4 29 ARG QD 4.700 . 7.600 10.880 10.001 11.313 3.713 3 15 [**+*******-****] 1
2219 4 23 ILE QG 4 29 ARG HA 3.930 . 6.060 11.108 10.947 11.298 5.238 4 15 [***+****-******] 1
2220 4 23 ILE QG 4 29 ARG QB 3.900 . 6.000 9.298 9.084 9.603 3.603 13 15 [**********-*+**] 1
2221 4 23 ILE QG 4 29 ARG QD 4.620 . 7.450 10.363 9.528 10.718 3.268 3 15 [**+*******-****] 1
2222 4 23 ILE QG 4 53 LEU H 4.290 . 6.780 6.667 6.499 6.890 0.110 9 0 "[ . 1 .]" 1
2223 4 23 ILE QG 4 53 LEU QB 4.930 . 8.060 7.047 6.773 7.314 . 0 0 "[ . 1 .]" 1
2224 4 23 ILE QG 4 53 LEU HG 4.350 . 6.900 8.423 7.791 8.773 1.873 15 15 [******-*******+] 1
2225 4 24 GLY H 4 27 ASN H 3.120 . 4.450 8.685 8.534 8.836 4.386 14 15 [**********-**+*] 1
2226 4 24 GLY H 4 28 SER H 2.850 . 3.890 12.676 12.423 12.835 8.945 8 15 [*******+**-****] 1
2227 4 24 GLY H 4 29 ARG QB 3.500 . 5.200 12.984 12.682 13.366 8.166 5 15 [****+*****-****] 1
2228 4 25 ALA HA 4 27 ASN H 3.170 . 4.540 6.093 5.982 6.201 1.661 3 15 [**+*******-****] 1
2229 4 26 VAL HA 4 26 VAL QG 3.170 . 4.540 2.315 2.128 2.497 . 0 0 "[ . 1 .]" 1
2230 4 26 VAL H 4 26 VAL HB 2.980 . 4.160 2.853 2.545 3.777 . 0 0 "[ . 1 .]" 1
2231 4 26 VAL H 4 26 VAL QG 3.340 . 4.880 2.117 1.909 2.430 . 0 0 "[ . 1 .]" 1
2232 4 26 VAL H 4 27 ASN H 2.580 . 3.360 4.513 4.440 4.601 1.241 3 15 [**+-***********] 1
2233 4 26 VAL HB 4 27 ASN H 3.360 . 4.920 4.051 3.058 4.280 . 0 0 "[ . 1 .]" 1
2234 4 26 VAL QG 4 27 ASN H 3.230 . 4.670 2.643 2.448 3.338 . 0 0 "[ . 1 .]" 1
2235 4 26 VAL HA 4 28 SER H 3.370 . 4.940 6.379 6.317 6.499 1.559 13 15 [**********-*+**] 1
2236 4 26 VAL H 4 28 SER H 2.920 . 4.040 7.262 7.057 7.541 3.501 12 15 [*-*********+***] 1
2237 4 26 VAL HB 4 28 SER H 3.330 . 4.860 7.300 6.137 7.971 3.111 6 15 [*-***+*********] 1
2238 4 27 ASN H 4 28 SER H 2.690 . 3.580 4.672 4.626 4.731 1.151 13 15 [*******-****+**] 1
2239 4 28 SER HA 4 28 SER HG 3.340 . 4.880 3.659 3.324 4.051 . 0 0 "[ . 1 .]" 1
2240 4 28 SER HA 4 29 ARG H 2.500 . 3.200 3.538 3.491 3.616 0.416 12 0 "[ . 1 .]" 1
2241 4 28 SER HB2 4 29 ARG H 2.650 . 3.500 3.671 2.972 4.185 0.685 4 6 "[ +.* 1*** -]" 1
2242 4 28 SER HB3 4 29 ARG H 3.060 . 4.330 3.894 2.966 4.417 0.087 15 0 "[ . 1 .]" 1
2243 4 28 SER HG 4 29 ARG QD 5.150 . 8.500 8.373 6.918 9.220 0.720 1 5 "[+*- * 1 *.]" 1
2244 4 28 SER HA 4 52 LEU HA 2.990 . 4.180 18.777 18.355 19.100 14.920 5 15 [-***+**********] 1
2245 4 29 ARG HA 4 29 ARG QD 3.900 . 6.000 3.886 2.460 4.354 . 0 0 "[ . 1 .]" 1
2246 4 29 ARG H 4 29 ARG QB 3.340 . 4.880 2.193 2.069 2.277 . 0 0 "[ . 1 .]" 1
2247 4 29 ARG H 4 29 ARG QD 3.920 . 6.040 4.854 4.526 5.143 . 0 0 "[ . 1 .]" 1
2248 4 29 ARG HA 4 30 GLY H 2.470 . 3.140 3.498 3.464 3.518 0.378 14 0 "[ . 1 .]" 1
2249 4 29 ARG H 4 30 GLY H 3.110 . 4.420 2.464 2.344 2.532 . 0 0 "[ . 1 .]" 1
2250 4 29 ARG QB 4 30 GLY H 3.060 . 4.320 2.904 2.705 3.174 . 0 0 "[ . 1 .]" 1
2251 4 29 ARG QD 4 30 GLY H 3.980 . 6.160 5.102 4.584 5.498 . 0 0 "[ . 1 .]" 1
2252 4 29 ARG QD 4 49 LEU QD 4.970 . 8.140 15.728 14.226 16.569 8.429 9 15 [********+*-****] 1
2253 4 29 ARG HE 4 49 LEU QD 4.670 . 7.540 17.558 15.723 19.251 11.711 8 15 [******-+*******] 1
2254 4 29 ARG QD 4 52 LEU HA 4.320 . 6.840 14.486 13.313 15.272 8.432 6 15 [*****+*******-*] 1
2255 4 29 ARG H 4 53 LEU H 3.620 . 5.450 15.080 14.795 15.238 9.788 4 15 [-**+***********] 1
2256 4 29 ARG QD 4 53 LEU QB 4.590 . 7.380 10.022 8.623 11.198 3.818 6 15 [*****+****-****] 1
2257 4 29 ARG HE 4 53 LEU HA 4.190 . 6.580 12.203 9.753 14.639 8.059 6 15 [-****+*********] 1
2258 4 29 ARG HE 4 53 LEU H 4.150 . 6.500 14.593 12.160 16.915 10.415 6 15 [-****+*********] 1
2259 4 29 ARG HE 4 53 LEU QB 4.630 . 7.460 11.566 9.099 14.324 6.864 6 15 [-****+*********] 1
2260 4 29 ARG HE 4 53 LEU HG 4.470 . 7.140 11.290 8.407 13.833 6.693 6 15 [*****+-********] 1
2261 4 30 GLY H 4 31 GLU H 3.170 . 4.550 2.215 2.087 2.290 . 0 0 "[ . 1 .]" 1
2262 4 31 GLU H 4 32 PHE H 3.150 . 4.500 4.574 4.517 4.617 0.117 5 0 "[ . 1 .]" 1
2263 4 31 GLU H 4 49 LEU HG 3.170 . 4.540 19.751 19.479 20.390 15.850 11 15 [*********-+****] 1
2264 4 31 GLU H 4 49 LEU QD 3.790 . 5.790 14.936 14.300 15.394 9.604 1 15 [+*********-****] 1
2265 4 32 PHE HA 4 33 THR H 2.540 . 3.270 2.352 2.207 2.413 . 0 0 "[ . 1 .]" 1
2266 4 32 PHE H 4 33 THR H 3.190 . 4.580 4.327 4.300 4.387 . 0 0 "[ . 1 .]" 1
2267 4 32 PHE HA 4 46 ASN QD 3.710 . 5.620 23.985 22.479 25.819 20.199 13 15 [*********-**+**] 1
2268 4 32 PHE HA 4 47 ILE H 3.650 . 5.500 25.433 24.903 25.706 20.206 12 15 [********-**+***] 1
2269 4 32 PHE HA 4 49 LEU HG 3.650 . 5.500 14.655 14.358 15.329 9.829 11 15 [********-*+****] 1
2270 4 32 PHE HA 4 49 LEU H 3.000 . 4.200 18.754 17.941 19.032 14.832 5 15 [-***+**********] 1
2271 4 32 PHE HA 4 49 LEU QD 3.750 . 5.700 11.028 10.557 11.426 5.726 1 15 [+*********-****] 1
2272 4 32 PHE H 4 49 LEU HG 3.080 . 4.360 15.363 15.121 16.076 11.716 11 15 [*********-+****] 1
2273 4 32 PHE H 4 49 LEU H 3.650 . 5.500 19.317 18.474 19.575 14.075 6 15 [-****+*********] 1
2274 4 33 THR HA 4 34 GLY H 2.560 . 3.320 2.583 2.362 2.821 . 0 0 "[ . 1 .]" 1
2275 4 33 THR H 4 34 GLY H 3.150 . 4.500 4.408 4.337 4.495 . 0 0 "[ . 1 .]" 1
2276 4 33 THR H 4 46 ASN HA 3.370 . 4.940 24.704 23.816 25.211 20.271 5 15 [****+***-******] 1
2277 4 33 THR H 4 46 ASN QD 3.850 . 5.900 22.061 20.561 23.871 17.971 13 15 [*********-**+**] 1
2278 4 33 THR H 4 47 ILE H 3.010 . 4.220 23.337 22.729 23.655 19.435 12 15 [********-**+***] 1
2279 4 33 THR H 4 48 THR HA 3.190 . 4.580 18.636 17.903 19.017 14.437 14 15 [-************+*] 1
2280 4 33 THR HA 4 49 LEU QD 4.060 . 6.320 8.316 7.616 8.864 2.544 13 15 [**********-*+**] 1
2281 4 33 THR H 4 49 LEU H 3.320 . 4.840 16.493 15.652 16.774 11.934 14 15 [-************+*] 1
2282 4 33 THR H 4 49 LEU QD 4.100 . 6.400 9.298 9.003 9.612 3.212 1 15 [+*****-********] 1
2283 4 34 GLY H 4 46 ASN QD 4.330 . 6.860 18.187 16.808 19.987 13.127 13 15 [*********-**+**] 1
2284 4 35 THR HA 4 35 THR MG 3.260 . 4.720 2.267 2.166 2.363 . 0 0 "[ . 1 .]" 1
2285 4 35 THR H 4 35 THR MG 3.370 . 4.940 3.253 3.109 3.465 . 0 0 "[ . 1 .]" 1
2286 4 35 THR HB 4 37 ILE H 3.650 . 5.500 5.386 5.188 5.649 0.149 9 0 "[ . 1 .]" 1
2287 4 35 THR MG 4 37 ILE HA 4.040 . 6.280 6.754 6.545 7.144 0.864 9 5 "[* * . - +1 *.]" 1
2288 4 35 THR MG 4 37 ILE H 3.420 . 5.040 6.519 6.361 6.718 1.678 9 15 [****-***+******] 1
2289 4 35 THR MG 4 44 PRO QD 3.560 . 5.330 15.527 15.188 15.935 10.605 15 15 [******-*******+] 1
2290 4 35 THR MG 4 44 PRO QG 3.440 . 5.080 15.616 15.162 16.100 11.020 15 15 [******-*******+] 1
2291 4 36 TYR H 4 36 TYR QB 3.210 . 4.630 2.288 2.225 2.345 . 0 0 "[ . 1 .]" 1
2292 4 36 TYR HA 4 37 ILE QG 3.560 . 5.320 3.982 3.410 4.955 . 0 0 "[ . 1 .]" 1
2293 4 36 TYR H 4 37 ILE H 2.890 . 3.980 4.473 4.352 4.522 0.542 8 9 "[ * *.**+ 1 ***-]" 1
2294 4 36 TYR H 4 37 ILE MG 3.810 . 5.830 6.348 6.146 6.474 0.644 3 12 "[ *+****- * ****]" 1
2295 4 36 TYR QB 4 37 ILE H 3.310 . 4.830 3.829 3.755 3.911 . 0 0 "[ . 1 .]" 1
2296 4 36 TYR QB 4 37 ILE MG 3.770 . 5.750 5.908 5.816 6.081 0.331 11 0 "[ . 1 .]" 1
2297 4 36 TYR HA 4 44 PRO QD 3.440 . 5.080 15.214 14.782 15.590 10.510 15 15 [******-*******+] 1
2298 4 36 TYR HA 4 44 PRO QG 3.360 . 4.920 15.352 14.855 15.853 10.933 15 15 [******-*******+] 1
2299 4 37 ILE HA 4 37 ILE QG 2.860 . 3.920 2.350 2.262 2.404 . 0 0 "[ . 1 .]" 1
2300 4 37 ILE HA 4 37 ILE MG 3.180 . 4.560 2.418 2.233 2.569 . 0 0 "[ . 1 .]" 1
2301 4 37 ILE H 4 37 ILE QG 3.380 . 4.960 2.972 2.396 3.622 . 0 0 "[ . 1 .]" 1
2302 4 37 ILE H 4 37 ILE MG 3.270 . 4.750 3.832 3.728 3.880 . 0 0 "[ . 1 .]" 1
2303 4 37 ILE HA 4 38 THR H 2.460 . 3.120 2.114 2.044 2.210 . 0 0 "[ . 1 .]" 1
2304 4 37 ILE HB 4 38 THR H 2.620 . 3.440 4.210 4.016 4.411 0.971 5 15 [**-*+**********] 1
2305 4 37 ILE QG 4 38 THR H 3.480 . 5.170 4.083 3.953 4.246 . 0 0 "[ . 1 .]" 1
2306 4 37 ILE MG 4 38 THR H 3.350 . 4.900 2.690 2.324 2.852 . 0 0 "[ . 1 .]" 1
2307 4 37 ILE MG 4 38 THR HB 4.520 . 7.240 4.376 4.189 4.688 . 0 0 "[ . 1 .]" 1
2308 4 37 ILE HA 4 44 PRO QD 3.250 . 4.700 12.024 11.620 12.430 7.730 5 15 [****+*-********] 1
2309 4 38 THR H 4 38 THR HB 3.190 . 4.580 2.201 2.051 2.372 . 0 0 "[ . 1 .]" 1
2310 4 38 THR HA 4 39 ALA H 2.600 . 3.400 2.199 2.132 2.248 . 0 0 "[ . 1 .]" 1
2311 4 38 THR H 4 39 ALA H 3.170 . 4.540 4.527 4.414 4.591 0.051 5 0 "[ . 1 .]" 1
2312 4 38 THR HB 4 39 ALA H 3.110 . 4.420 4.281 4.136 4.470 0.050 2 0 "[ . 1 .]" 1
2313 4 38 THR HB 4 40 VAL HA 3.730 . 5.660 6.594 6.355 6.988 1.328 15 15 [******-*******+] 1
2314 4 38 THR HB 4 40 VAL H 3.310 . 4.820 4.378 3.882 4.707 . 0 0 "[ . 1 .]" 1
2315 4 38 THR H 4 41 ALA MB 2.960 . 4.120 6.303 6.104 6.569 2.449 12 15 [***********+*-*] 1
2316 4 38 THR HB 4 41 ALA HA 3.100 . 4.400 6.151 5.797 6.391 1.991 13 15 [********-***+**] 1
2317 4 38 THR HB 4 41 ALA MB 3.810 . 4.800 4.627 4.313 5.152 0.352 15 0 "[ . 1 .]" 1
2318 4 38 THR HB 4 44 PRO QD 3.410 . 5.020 8.660 8.125 9.448 4.428 15 15 [******-*******+] 1
2319 4 39 ALA H 4 39 ALA MB 2.730 . 3.650 2.263 2.237 2.311 . 0 0 "[ . 1 .]" 1
2320 4 39 ALA H 4 40 VAL H 2.900 . 4.000 2.433 2.368 2.537 . 0 0 "[ . 1 .]" 1
2321 4 39 ALA MB 4 40 VAL H 3.140 . 4.480 3.166 3.018 3.418 . 0 0 "[ . 1 .]" 1
2322 4 40 VAL H 4 40 VAL HB 3.070 . 4.340 3.823 3.790 3.859 . 0 0 "[ . 1 .]" 1
2323 4 41 ALA MB 4 42 ASP HA 3.650 . 5.500 4.299 4.240 4.385 . 0 0 "[ . 1 .]" 1
2324 4 41 ALA MB 4 43 ASN H 3.270 . 4.740 2.451 2.180 2.686 . 0 0 "[ . 1 .]" 1
2325 4 41 ALA HA 4 44 PRO QD 3.030 . 4.260 4.585 4.444 4.738 0.478 3 0 "[ . 1 .]" 1
2326 4 41 ALA HA 4 44 PRO QG 3.870 . 5.940 5.838 5.364 5.984 0.044 3 0 "[ . 1 .]" 1
2327 4 41 ALA MB 4 44 PRO QD 3.210 . 4.620 2.583 2.402 2.796 . 0 0 "[ . 1 .]" 1
2328 4 42 ASP H 4 43 ASN H 2.870 . 3.940 2.407 2.262 2.613 . 0 0 "[ . 1 .]" 1
2329 4 43 ASN H 4 43 ASN QB 3.130 . 4.460 2.764 2.412 3.273 . 0 0 "[ . 1 .]" 1
2330 4 43 ASN QB 4 70 ASN QB 2.920 . 4.040 13.133 12.543 14.091 10.051 4 15 [***+******-****] 1
2331 4 43 ASN QB 4 70 ASN QD 4.310 . 6.820 12.478 11.356 13.295 6.475 14 15 [************-+*] 1
2332 4 44 PRO HA 4 44 PRO QG 3.080 . 4.370 3.517 3.500 3.536 . 0 0 "[ . 1 .]" 1
2333 4 44 PRO QG 4 45 GLY H 3.210 . 4.630 3.978 2.074 4.531 . 0 0 "[ . 1 .]" 1
2334 4 44 PRO HA 4 70 ASN QD 4.130 . 6.460 14.369 13.069 15.445 8.985 12 15 [***********+-**] 1
2335 4 44 PRO QD 4 70 ASN QD 5.120 . 8.430 14.605 13.577 15.596 7.166 15 15 [************-*+] 1
2336 4 44 PRO QG 4 70 ASN QD 4.490 . 7.180 15.670 14.591 16.653 9.473 12 15 [***********+-**] 1
2337 4 45 GLY H 4 70 ASN QB 3.460 . 4.340 15.419 14.731 16.508 12.168 7 15 [*****-+********] 1
2338 4 45 GLY H 4 70 ASN QD 3.780 . 5.760 15.055 13.228 16.451 10.691 7 15 [******+*****-**] 1
2339 4 46 ASN HA 4 46 ASN QD 3.460 . 5.130 3.150 2.212 4.038 . 0 0 "[ . 1 .]" 1
2340 4 46 ASN HA 4 47 ILE HA 3.120 . 4.440 4.858 4.643 5.168 0.728 6 6 "[ -* *+* 1 *.]" 1
2341 4 46 ASN HA 4 47 ILE H 2.500 . 3.200 3.059 2.608 3.521 0.321 6 0 "[ . 1 .]" 1
2342 4 46 ASN QB 4 47 ILE H 3.600 . 5.400 3.713 2.817 3.999 . 0 0 "[ . 1 .]" 1
2343 4 46 ASN QD 4 47 ILE HA 4.160 . 6.520 5.892 4.473 7.109 0.589 8 2 "[ . + 1 - .]" 1
2344 4 46 ASN QD 4 47 ILE H 3.860 . 5.920 5.222 4.320 6.101 0.181 12 0 "[ . 1 .]" 1
2345 4 47 ILE H 4 47 ILE HB 3.180 . 4.560 2.773 2.549 3.085 . 0 0 "[ . 1 .]" 1
2346 4 47 ILE HA 4 48 THR HA 3.270 . 4.750 4.374 4.263 4.533 . 0 0 "[ . 1 .]" 1
2347 4 47 ILE HA 4 48 THR HG1 3.180 . 4.560 6.476 5.602 6.624 2.064 13 15 [************+-*] 1
2348 4 47 ILE HA 4 48 THR HG1 3.330 . 4.860 3.380 3.272 3.463 . 0 0 "[ . 1 .]" 1
2349 4 47 ILE H 4 48 THR HA 3.650 . 5.500 5.806 5.614 5.977 0.477 5 0 "[ . 1 .]" 1
2350 4 47 ILE HB 4 68 THR H 4.010 . 6.220 19.281 18.991 19.639 13.419 8 15 [*******+-******] 1
2351 4 48 THR HA 4 49 LEU H 2.480 . 3.150 2.378 2.150 2.519 . 0 0 "[ . 1 .]" 1
2352 4 48 THR HA 4 49 LEU QD 4.310 . 6.830 4.965 3.701 5.338 . 0 0 "[ . 1 .]" 1
2353 4 49 LEU HA 4 49 LEU QD 3.550 . 5.300 2.623 2.139 3.028 . 0 0 "[ . 1 .]" 1
2354 4 49 LEU H 4 49 LEU HG 2.960 . 4.130 4.304 4.102 4.409 0.279 14 0 "[ . 1 .]" 1
2355 4 49 LEU H 4 49 LEU QD 3.460 . 5.120 3.417 2.507 3.646 . 0 0 "[ . 1 .]" 1
2356 4 49 LEU H 4 50 SER H 3.130 . 4.460 4.511 4.414 4.581 0.121 14 0 "[ . 1 .]" 1
2357 4 49 LEU QD 4 50 SER H 4.020 . 5.880 3.294 2.163 3.844 . 0 0 "[ . 1 .]" 1
2358 4 49 LEU QD 4 50 SER HA 3.960 . 6.120 4.088 3.275 4.979 . 0 0 "[ . 1 .]" 1
2359 4 49 LEU HA 4 67 PHE H 3.020 . 4.240 15.610 15.253 15.877 11.637 8 15 [-******+*******] 1
2360 4 50 SER HA 4 50 SER HG 2.830 . 3.850 3.660 2.791 4.035 0.185 7 0 "[ . 1 .]" 1
2361 4 50 SER H 4 50 SER HB2 2.990 . 4.180 3.025 2.463 3.773 . 0 0 "[ . 1 .]" 1
2362 4 50 SER H 4 50 SER HB3 2.990 . 4.180 3.321 2.673 3.751 . 0 0 "[ . 1 .]" 1
2363 4 50 SER H 4 50 SER HG 3.380 . 4.960 3.719 2.702 4.589 . 0 0 "[ . 1 .]" 1
2364 4 52 LEU HA 4 52 LEU QD 3.300 . 4.800 3.383 3.317 3.427 . 0 0 "[ . 1 .]" 1
2365 4 52 LEU H 4 52 LEU QD 3.430 . 5.060 3.343 3.092 3.494 . 0 0 "[ . 1 .]" 1
2366 4 52 LEU HA 4 53 LEU HG 3.320 . 4.840 6.284 6.047 6.501 1.661 4 15 [***+******-****] 1
2367 4 52 LEU H 4 53 LEU HA 3.340 . 4.880 5.167 5.049 5.235 0.355 13 0 "[ . 1 .]" 1
2368 4 52 LEU H 4 53 LEU H 3.190 . 4.580 4.445 4.387 4.472 . 0 0 "[ . 1 .]" 1
2369 4 52 LEU H 4 53 LEU HG 4.010 . 6.220 7.187 6.466 7.598 1.378 13 14 "[**-******* *+**]" 1
2370 4 52 LEU QD 4 53 LEU H 4.090 . 6.380 2.832 2.667 3.023 . 0 0 "[ . 1 .]" 1
2371 4 53 LEU H 4 53 LEU QB 3.440 . 5.080 2.664 2.575 2.756 . 0 0 "[ . 1 .]" 1
2372 4 53 LEU H 4 53 LEU HG 3.330 . 4.860 4.842 4.660 4.976 0.116 12 0 "[ . 1 .]" 1
2373 4 53 LEU QB 4 54 GLY H 3.120 . 4.450 3.379 2.576 3.678 . 0 0 "[ . 1 .]" 1
2374 4 53 LEU HG 4 54 GLY H 3.920 . 6.040 3.575 2.472 4.318 . 0 0 "[ . 1 .]" 1
2375 4 53 LEU HA 4 62 GLN QB 3.260 . 4.720 19.113 18.105 19.519 14.799 9 15 [***-****+******] 1
2376 4 53 LEU QB 4 62 GLN HA 3.440 . 5.080 19.331 18.868 19.630 14.550 7 15 [***-**+********] 1
2377 4 53 LEU QB 4 62 GLN QB 3.830 . 5.870 18.607 17.973 18.888 13.018 6 15 [***-*+*********] 1
2378 4 53 LEU HG 4 62 GLN QB 4.280 . 6.760 21.228 19.479 22.279 15.519 3 15 [**+-***********] 1
2379 4 54 GLY H 4 60 ALA MB 3.650 . 5.500 15.496 15.061 15.856 10.356 3 15 [**+***********-] 1
2380 4 55 ILE HA 4 55 ILE QG 3.080 . 4.370 2.212 2.184 2.248 . 0 0 "[ . 1 .]" 1
2381 4 56 GLN HA 4 56 GLN QB 2.630 . 3.460 2.168 2.127 2.221 . 0 0 "[ . 1 .]" 1
2382 4 56 GLN HA 4 56 GLN QG 2.980 . 4.160 3.387 3.033 3.488 . 0 0 "[ . 1 .]" 1
2383 4 57 HIS H 4 57 HIS QB 3.260 . 4.720 2.288 2.171 2.675 . 0 0 "[ . 1 .]" 1
2384 4 57 HIS QB 4 59 ARG H 3.280 . 4.760 2.797 2.443 3.051 . 0 0 "[ . 1 .]" 1
2385 4 57 HIS QB 4 60 ALA HA 3.190 . 4.590 6.126 5.855 6.260 1.670 6 15 [*****+********-] 1
2386 4 57 HIS QB 4 60 ALA MB 3.480 . 4.080 3.897 3.564 3.952 . 0 0 "[ . 1 .]" 1
2387 4 57 HIS QB 4 61 SER H 3.920 . 6.040 7.151 6.900 7.378 1.338 11 15 [**********+***-] 1
2388 4 59 ARG HA 4 59 ARG HG2 2.850 . 3.890 3.315 2.416 3.858 . 0 0 "[ . 1 .]" 1
2389 4 59 ARG HA 4 59 ARG HG3 2.850 . 3.890 3.006 2.265 3.801 . 0 0 "[ . 1 .]" 1
2390 4 59 ARG HA 4 59 ARG QG 3.030 . 4.260 2.611 2.242 3.317 . 0 0 "[ . 1 .]" 1
2391 4 59 ARG H 4 59 ARG HB2 2.810 . 3.830 2.623 2.115 3.669 . 0 0 "[ . 1 .]" 1
2392 4 59 ARG H 4 59 ARG HB3 2.810 . 3.830 3.076 2.429 3.666 . 0 0 "[ . 1 .]" 1
2393 4 59 ARG H 4 59 ARG QB 3.010 . 4.220 2.347 2.096 2.663 . 0 0 "[ . 1 .]" 1
2394 4 59 ARG HA 4 60 ALA HA 3.330 . 4.870 4.723 4.643 4.779 . 0 0 "[ . 1 .]" 1
2395 4 59 ARG QG 4 83 GLN H 3.190 . 4.590 14.155 11.676 15.036 10.446 10 15 [*-*******+*****] 1
2396 4 60 ALA HA 4 61 SER H 2.560 . 3.330 2.468 2.350 2.598 . 0 0 "[ . 1 .]" 1
2397 4 60 ALA MB 4 61 SER H 2.930 . 3.980 2.332 2.102 2.504 . 0 0 "[ . 1 .]" 1
2398 4 61 SER HA 4 62 GLN H 2.680 . 3.560 3.555 3.479 3.627 0.067 4 0 "[ . 1 .]" 1
2399 4 61 SER HA 4 80 PHE HA 2.880 . 3.960 20.496 19.861 21.059 17.099 11 15 [**-*******+****] 1
2400 4 61 SER HA 4 80 PHE H 3.270 . 4.740 20.748 19.998 21.523 16.783 11 15 [**-*******+****] 1
2401 4 61 SER HA 4 80 PHE QB 3.770 . 5.740 17.015 16.373 17.732 11.992 11 15 [**-*******+****] 1
2402 4 61 SER H 4 80 PHE QB 4.010 . 6.220 17.302 17.070 17.526 11.306 11 15 [*******-**+****] 1
2403 4 61 SER HA 4 81 THR H 3.070 . 4.340 18.810 18.233 19.348 15.008 4 15 [**-+***********] 1
2404 4 62 GLN HA 4 79 VAL H 3.410 . 5.020 21.309 20.884 21.611 16.591 11 15 [*********-+****] 1
2405 4 62 GLN H 4 79 VAL H 2.830 . 3.850 23.098 22.763 23.298 19.448 11 15 [*********-+****] 1
2406 4 62 GLN H 4 80 PHE HA 3.030 . 4.260 18.499 18.336 18.676 14.416 2 15 [*+-************] 1
2407 4 62 GLN QE 4 81 THR HB 4.540 . 7.270 15.197 13.199 16.308 9.038 7 15 [-*****+********] 1
2408 4 62 GLN QE 4 91 LYS HA 4.190 . 6.580 9.724 8.642 11.286 4.706 11 15 [********-*+****] 1
2409 4 62 GLN QE 4 91 LYS QB 4.380 . 6.960 8.769 7.892 10.326 3.366 2 15 [*+******-******] 1
2410 4 62 GLN QE 4 91 LYS QD 4.640 . 7.480 11.015 10.089 12.412 4.932 2 15 [*+**********-**] 1
2411 4 62 GLN QE 4 93 VAL QG 4.290 . 6.780 6.442 5.769 7.976 1.196 2 1 "[ + . 1 .]" 1
2412 4 64 THR H 4 77 THR H 2.880 . 3.960 23.787 23.657 23.937 19.977 7 15 [****-*+********] 1
2413 4 65 PHE HA 4 66 GLY H 2.590 . 3.380 2.248 2.199 2.339 . 0 0 "[ . 1 .]" 1
2414 4 65 PHE H 4 66 GLY H 3.190 . 4.580 4.332 4.261 4.409 . 0 0 "[ . 1 .]" 1
2415 4 65 PHE HA 4 76 SER HA 2.960 . 4.120 21.486 21.367 21.642 17.522 13 15 [-***********+**] 1
2416 4 65 PHE HA 4 76 SER HG 4.020 . 6.240 22.207 20.365 23.332 17.092 13 15 [*******-****+**] 1
2417 4 65 PHE HA 4 77 THR H 3.030 . 4.260 19.256 19.118 19.414 15.154 13 15 [****-*******+**] 1
2418 4 66 GLY H 4 75 GLU H 2.890 . 3.980 24.124 24.003 24.299 20.319 12 15 [-**********+***] 1
2419 4 66 GLY H 4 76 SER HA 3.220 . 4.640 19.463 19.328 19.604 14.964 11 15 [****-*****+****] 1
2420 4 67 PHE H 4 67 PHE QB 2.810 . 3.820 3.301 3.254 3.361 . 0 0 "[ . 1 .]" 1
2421 4 67 PHE HA 4 68 THR H 2.400 . 3.000 2.272 2.229 2.346 . 0 0 "[ . 1 .]" 1
2422 4 67 PHE QB 4 68 THR H 3.200 . 4.600 2.604 2.487 2.700 . 0 0 "[ . 1 .]" 1
2423 4 67 PHE HA 4 74 SER HA 3.010 . 4.220 20.009 19.806 20.235 16.015 12 15 [********-**+***] 1
2424 4 67 PHE HA 4 75 GLU H 3.280 . 4.760 19.309 19.139 19.494 14.734 12 15 [********-**+***] 1
2425 4 68 THR H 4 69 VAL H 3.210 . 4.620 4.556 4.534 4.576 . 0 0 "[ . 1 .]" 1
2426 4 68 THR HB 4 69 VAL H 3.460 . 5.130 3.578 3.496 3.638 . 0 0 "[ . 1 .]" 1
2427 4 68 THR HB 4 71 TRP HA 4.000 . 6.200 9.336 9.202 9.483 3.283 15 15 [***-**********+] 1
2428 4 68 THR HB 4 71 TRP QB 3.760 . 5.720 9.420 9.252 9.613 3.893 9 15 [***-****+******] 1
2429 4 68 THR HB 4 71 TRP H 3.080 . 4.360 7.693 7.488 7.868 3.508 9 15 [***-****+******] 1
2430 4 68 THR H 4 73 PHE QB 3.650 . 5.500 16.304 15.980 16.667 11.167 14 15 [********-****+*] 1
2431 4 68 THR H 4 73 PHE H 3.190 . 4.580 15.440 15.155 15.815 11.235 14 15 [********-****+*] 1
2432 4 68 THR HB 4 73 PHE H 3.620 . 5.440 13.434 13.146 13.920 8.480 14 15 [*******-*****+*] 1
2433 4 68 THR H 4 74 SER HA 2.890 . 3.970 17.964 17.794 18.110 14.140 12 15 [********-**+***] 1
2434 4 68 THR H 4 75 GLU H 3.440 . 5.080 17.226 17.067 17.426 12.346 13 15 [********-***+**] 1
2435 4 69 VAL H 4 70 ASN H 2.890 . 3.970 4.246 4.185 4.302 0.332 3 0 "[ . 1 .]" 1
2436 4 69 VAL H 4 71 TRP H 2.940 . 4.080 5.927 5.790 6.088 2.008 11 15 [*********-+****] 1
2437 4 70 ASN HA 4 70 ASN QD 3.880 . 5.960 3.175 1.920 4.055 . 0 0 "[ . 1 .]" 1
2438 4 70 ASN H 4 70 ASN QB 2.940 . 3.760 2.303 2.186 2.517 . 0 0 "[ . 1 .]" 1
2439 4 70 ASN H 4 71 TRP H 2.480 . 3.150 4.415 4.324 4.480 1.330 14 15 [*******-*****+*] 1
2440 4 70 ASN QD 4 71 TRP HA 4.270 . 6.740 5.334 4.431 6.023 . 0 0 "[ . 1 .]" 1
2441 4 70 ASN QD 4 71 TRP QB 4.060 . 6.320 5.378 4.167 6.324 0.004 12 0 "[ . 1 .]" 1
2442 4 71 TRP H 4 71 TRP QB 2.920 . 4.000 2.523 2.454 2.574 . 0 0 "[ . 1 .]" 1
2443 4 71 TRP HA 4 72 LYS QB 3.250 . 4.710 4.278 3.985 4.556 . 0 0 "[ . 1 .]" 1
2444 4 71 TRP HA 4 72 LYS HG2 3.650 . 5.500 3.658 3.235 4.155 . 0 0 "[ . 1 .]" 1
2445 4 71 TRP HA 4 72 LYS HG3 3.130 . 4.460 4.220 3.487 5.350 0.890 4 1 "[ +. 1 .]" 1
2446 4 72 LYS HA 4 72 LYS HG2 2.540 . 3.280 2.791 2.255 3.290 0.010 4 0 "[ . 1 .]" 1
2447 4 72 LYS HA 4 72 LYS HG3 2.540 . 3.270 3.710 3.383 3.855 0.585 1 5 "[+ -. * 1 * *.]" 1
2448 4 72 LYS QB 4 100 LEU QB 3.060 . 4.320 12.207 11.877 12.624 8.304 9 15 [*******-+******] 1
2449 4 73 PHE H 4 73 PHE QB 2.890 . 3.980 2.647 2.583 2.755 . 0 0 "[ . 1 .]" 1
2450 4 73 PHE QB 4 74 SER H 2.890 . 3.970 3.757 3.681 3.844 . 0 0 "[ . 1 .]" 1
2451 4 73 PHE H 4 74 SER H 3.170 . 4.540 2.463 2.283 2.589 . 0 0 "[ . 1 .]" 1
2452 4 73 PHE QB 4 74 SER HA 3.520 . 5.250 4.971 4.872 5.067 . 0 0 "[ . 1 .]" 1
2453 4 74 SER HA 4 75 GLU H 2.590 . 3.380 2.312 2.261 2.376 . 0 0 "[ . 1 .]" 1
2454 4 74 SER HA 4 75 GLU QG 3.560 . 5.320 4.139 3.836 4.251 . 0 0 "[ . 1 .]" 1
2455 4 74 SER H 4 75 GLU H 3.230 . 4.670 4.156 3.995 4.306 . 0 0 "[ . 1 .]" 1
2456 4 74 SER H 4 75 GLU QG 3.910 . 6.020 4.924 4.658 5.120 . 0 0 "[ . 1 .]" 1
2457 4 74 SER H 4 98 TRP H 3.120 . 4.450 18.580 18.329 18.808 14.358 15 15 [**-***********+] 1
2458 4 75 GLU HA 4 75 GLU QG 3.130 . 4.460 2.209 2.109 2.322 . 0 0 "[ . 1 .]" 1
2459 4 75 GLU H 4 75 GLU QG 3.290 . 4.790 2.616 2.278 2.836 . 0 0 "[ . 1 .]" 1
2460 4 75 GLU HA 4 76 SER HG 4.050 . 6.300 4.576 3.761 6.569 0.269 15 0 "[ . 1 .]" 1
2461 4 75 GLU H 4 76 SER H 3.210 . 4.620 4.470 4.387 4.633 0.013 11 0 "[ . 1 .]" 1
2462 4 75 GLU QG 4 76 SER H 3.120 . 4.450 4.048 3.946 4.224 . 0 0 "[ . 1 .]" 1
2463 4 75 GLU QG 4 95 LYS HA 4.060 . 6.320 24.773 24.589 24.984 18.664 1 15 [+*********-****] 1
2464 4 75 GLU QG 4 95 LYS QZ 3.440 . 5.080 24.116 22.995 24.517 19.437 5 15 [****+*-********] 1
2465 4 75 GLU QG 4 96 THR HA 4.160 . 6.520 22.496 22.284 22.692 16.172 10 15 [*********+-****] 1
2466 4 75 GLU QG 4 96 THR H 3.360 . 4.920 23.009 22.793 23.228 18.308 1 15 [+*********-****] 1
2467 4 75 GLU HA 4 97 MET HA 3.000 . 4.210 20.230 20.006 20.472 16.262 10 15 [***-*****+*****] 1
2468 4 75 GLU HA 4 97 MET QB 3.930 . 6.060 18.238 18.060 18.434 12.374 10 15 [******-**+*****] 1
2469 4 75 GLU QG 4 97 MET HA 3.080 . 4.360 20.320 20.076 20.568 16.208 10 15 [*********+-****] 1
2470 4 75 GLU QG 4 97 MET H 3.710 . 5.630 20.785 20.548 21.071 15.441 10 15 [*********+-****] 1
2471 4 75 GLU QG 4 97 MET QB 3.530 . 5.260 18.258 18.057 18.478 13.218 10 15 [*********+-****] 1
2472 4 75 GLU HA 4 98 TRP H 3.270 . 4.740 18.306 18.111 18.523 13.783 10 15 [*********+-****] 1
2473 4 75 GLU QG 4 98 TRP H 3.920 . 6.040 18.586 18.358 18.814 12.774 10 15 [*********+-****] 1
2474 4 76 SER H 4 76 SER HG 3.730 . 5.660 3.429 2.558 4.920 . 0 0 "[ . 1 .]" 1
2475 4 76 SER HA 4 77 THR H 2.690 . 3.570 2.339 2.253 2.388 . 0 0 "[ . 1 .]" 1
2476 4 76 SER HG 4 77 THR HA 4.000 . 6.200 5.526 4.844 6.310 0.110 13 0 "[ . 1 .]" 1
2477 4 76 SER HG 4 95 LYS HA 4.250 . 6.710 22.105 19.829 23.452 16.742 6 15 [*****+*-*******] 1
2478 4 76 SER H 4 96 THR H 3.000 . 4.200 21.270 21.111 21.422 17.222 14 15 [*-***********+*] 1
2479 4 76 SER HG 4 96 THR H 3.900 . 6.000 20.086 17.730 21.409 15.409 6 15 [*****+*-*******] 1
2480 4 77 THR HA 4 93 VAL HB 3.190 . 4.590 23.167 22.974 23.434 18.844 8 15 [*******+***-***] 1
2481 4 78 THR HA 4 78 THR MG 3.330 . 4.860 2.041 1.979 2.239 . 0 0 "[ . 1 .]" 1
2482 4 78 THR H 4 78 THR MG 3.410 . 5.020 3.615 3.328 3.687 . 0 0 "[ . 1 .]" 1
2483 4 78 THR HA 4 79 VAL H 2.620 . 3.440 2.165 2.092 2.415 . 0 0 "[ . 1 .]" 1
2484 4 78 THR HA 4 79 VAL HA 3.550 . 5.300 4.425 4.386 4.511 . 0 0 "[ . 1 .]" 1
2485 4 78 THR HB 4 79 VAL H 3.140 . 4.480 3.710 2.197 4.039 . 0 0 "[ . 1 .]" 1
2486 4 78 THR H 4 79 VAL H 3.040 . 4.280 4.287 4.220 4.413 0.133 10 0 "[ . 1 .]" 1
2487 4 78 THR MG 4 79 VAL H 3.490 . 5.180 2.697 2.527 3.373 . 0 0 "[ . 1 .]" 1
2488 4 78 THR H 4 93 VAL HA 3.070 . 4.340 21.313 21.026 21.578 17.238 6 15 [*****+*-*******] 1
2489 4 78 THR H 4 93 VAL HB 3.000 . 4.200 21.386 21.249 21.539 17.339 9 15 [********+-*****] 1
2490 4 79 VAL H 4 80 PHE H 3.170 . 4.540 4.502 4.240 4.553 0.013 14 0 "[ . 1 .]" 1
2491 4 79 VAL H 4 93 VAL HB 2.900 . 4.000 19.080 18.345 19.369 15.369 9 15 [********+-*****] 1
2492 4 79 VAL H 4 93 VAL QG 3.190 . 4.590 15.040 14.471 15.713 11.123 9 15 [*-******+******] 1
2493 4 79 VAL HA 4 93 VAL HA 3.300 . 4.800 18.176 17.954 18.479 13.679 7 15 [******+*******-] 1
2494 4 79 VAL HA 4 93 VAL QG 3.830 . 5.870 14.324 13.737 14.920 9.050 9 15 [********+*****-] 1
2495 4 79 VAL HA 4 94 LEU H 3.440 . 5.090 16.022 15.814 16.275 11.185 7 15 [******+*******-] 1
2496 4 80 PHE H 4 80 PHE QB 2.920 . 4.040 2.511 2.404 2.643 . 0 0 "[ . 1 .]" 1
2497 4 80 PHE H 4 92 GLU H 3.130 . 4.460 20.921 20.628 21.187 16.727 7 15 [******+-*******] 1
2498 4 80 PHE H 4 93 VAL HA 3.020 . 4.240 16.206 15.956 16.494 12.254 7 15 [*-****+********] 1
2499 4 80 PHE H 4 93 VAL QG 3.320 . 4.840 12.811 12.269 13.423 8.583 9 15 [*-******+******] 1
2500 4 81 THR H 4 81 THR HB 3.120 . 4.450 3.637 3.454 3.765 . 0 0 "[ . 1 .]" 1
2501 4 81 THR HA 4 82 GLY H 2.550 . 3.300 2.180 2.119 2.229 . 0 0 "[ . 1 .]" 1
2502 4 81 THR HB 4 82 GLY H 3.530 . 5.260 3.655 3.467 3.907 . 0 0 "[ . 1 .]" 1
2503 4 81 THR HA 4 91 LYS HA 2.950 . 4.100 20.381 20.222 20.589 16.489 5 15 [****+*******-**] 1
2504 4 81 THR HA 4 91 LYS QD 3.650 . 5.500 19.855 19.339 20.313 14.813 5 15 [**-*+**********] 1
2505 4 81 THR H 4 91 LYS QD 4.460 . 7.120 19.723 19.064 20.093 12.973 5 15 [***-+**********] 1
2506 4 81 THR HB 4 91 LYS QD 3.970 . 6.140 20.696 20.132 20.965 14.825 2 15 [*+*-***********] 1
2507 4 81 THR HA 4 92 GLU H 3.150 . 4.500 18.229 18.001 18.444 13.944 7 15 [******+-*******] 1
2508 4 82 GLY H 4 83 GLN H 3.190 . 4.580 4.459 4.325 4.510 . 0 0 "[ . 1 .]" 1
2509 4 82 GLY H 4 90 GLY H 2.770 . 3.740 19.988 19.828 20.092 16.352 7 15 [******+***-****] 1
2510 4 82 GLY H 4 91 LYS QD 4.020 . 6.240 18.157 17.608 18.487 12.247 5 15 [***-+**********] 1
2511 4 82 GLY H 4 92 GLU H 2.980 . 4.170 16.275 16.080 16.476 12.306 1 15 [+******-*******] 1
2512 4 83 GLN HA 4 83 GLN QG 2.900 . 4.000 2.336 2.149 2.534 . 0 0 "[ . 1 .]" 1
2513 4 83 GLN H 4 83 GLN QG 3.470 . 5.140 4.061 3.999 4.197 . 0 0 "[ . 1 .]" 1
2514 4 83 GLN HA 4 84 CYS H 2.440 . 3.080 2.123 2.016 2.176 . 0 0 "[ . 1 .]" 1
2515 4 83 GLN H 4 84 CYS H 3.090 . 4.380 4.443 4.337 4.531 0.151 13 0 "[ . 1 .]" 1
2516 4 83 GLN QG 4 84 CYS HA 3.670 . 5.550 4.301 3.874 5.020 . 0 0 "[ . 1 .]" 1
2517 4 83 GLN QG 4 84 CYS H 3.230 . 4.660 2.595 2.249 3.055 . 0 0 "[ . 1 .]" 1
2518 4 83 GLN QG 4 87 ASP H 3.250 . 4.710 9.550 9.005 10.125 5.415 5 15 [***-+**********] 1
2519 4 83 GLN HA 4 88 ARG QB 3.460 . 5.120 15.416 15.014 15.603 10.483 9 15 [****-***+******] 1
2520 4 83 GLN QG 4 88 ARG H 3.400 . 5.000 11.627 11.197 12.264 7.264 14 15 [-************+*] 1
2521 4 83 GLN HA 4 89 ASN HA 2.670 . 3.540 19.089 18.844 19.224 15.684 15 15 [*******-******+] 1
2522 4 83 GLN QG 4 89 ASN HA 3.370 . 4.940 15.571 15.142 16.048 11.108 5 15 [-***+**********] 1
2523 4 83 GLN HA 4 90 GLY H 2.890 . 3.970 15.823 15.629 15.950 11.980 3 15 [**+****-*******] 1
2524 4 83 GLN QG 4 90 GLY H 3.920 . 6.040 12.723 12.248 13.249 7.209 5 15 [-***+**********] 1
2525 4 84 CYS H 4 84 CYS HB2 2.790 . 3.780 2.830 2.002 3.631 . 0 0 "[ . 1 .]" 1
2526 4 84 CYS H 4 84 CYS HB3 2.790 . 3.780 2.626 2.480 2.901 . 0 0 "[ . 1 .]" 1
2527 4 84 CYS H 4 84 CYS QB 3.000 . 4.200 2.373 1.954 2.789 . 0 0 "[ . 1 .]" 1
2528 4 84 CYS HA 4 85 PHE HA 3.130 . 4.460 4.478 4.424 4.586 0.126 1 0 "[ . 1 .]" 1
2529 4 84 CYS HA 4 85 PHE QB 3.750 . 5.700 4.778 4.565 4.954 . 0 0 "[ . 1 .]" 1
2530 4 84 CYS QB 4 85 PHE H 3.550 . 5.300 3.678 3.229 3.965 . 0 0 "[ . 1 .]" 1
2531 4 84 CYS QB 4 85 PHE QD 4.420 . 7.040 5.154 4.943 5.335 . 0 0 "[ . 1 .]" 1
2532 4 84 CYS H 4 87 ASP H 3.060 . 4.320 10.507 10.283 10.678 6.358 2 15 [*+********-****] 1
2533 4 84 CYS HA 4 88 ARG QB 3.610 . 5.420 12.950 12.650 13.343 7.923 13 15 [*****-******+**] 1
2534 4 84 CYS H 4 88 ARG QB 2.960 . 4.120 14.390 13.958 14.540 10.420 13 15 [****-*******+**] 1
2535 4 84 CYS H 4 88 ARG H 2.920 . 4.040 13.739 13.569 13.902 9.862 13 15 [****-*******+**] 1
2536 4 84 CYS QB 4 88 ARG QB 3.370 . 4.940 12.513 12.268 12.801 7.861 11 15 [****-*****+****] 1
2537 4 84 CYS QB 4 88 ARG H 3.420 . 5.040 11.863 11.456 12.083 7.043 10 15 [*******-*+*****] 1
2538 4 84 CYS H 4 89 ASN HA 3.070 . 4.340 17.516 17.320 17.644 13.304 15 15 [*******-******+] 1
2539 4 85 PHE HA 4 85 PHE QD 3.480 . 5.160 3.079 2.883 3.239 . 0 0 "[ . 1 .]" 1
2540 4 85 PHE HA 4 86 ILE HA 3.430 . 5.060 4.394 4.321 4.476 . 0 0 "[ . 1 .]" 1
2541 4 85 PHE QB 4 86 ILE HA 3.510 . 5.220 3.908 3.855 3.967 . 0 0 "[ . 1 .]" 1
2542 4 85 PHE QB 4 86 ILE H 3.250 . 4.710 2.175 2.077 2.289 . 0 0 "[ . 1 .]" 1
2543 4 85 PHE QD 4 86 ILE H 3.490 . 5.180 3.914 3.746 4.005 . 0 0 "[ . 1 .]" 1
2544 4 85 PHE QB 4 87 ASP H 3.750 . 5.700 4.325 4.231 4.475 . 0 0 "[ . 1 .]" 1
2545 4 87 ASP H 4 88 ARG QG 3.550 . 5.300 6.635 5.881 7.475 2.175 10 15 [*********+-****] 1
2546 4 88 ARG QB 4 88 ARG HE 3.120 . 4.290 3.491 2.111 4.336 0.046 12 0 "[ . 1 .]" 1
2547 4 88 ARG H 4 88 ARG QG 2.980 . 4.160 3.159 2.194 4.103 . 0 0 "[ . 1 .]" 1
2548 4 89 ASN H 4 89 ASN QB 3.000 . 4.210 2.181 2.071 2.281 . 0 0 "[ . 1 .]" 1
2549 4 89 ASN HA 4 90 GLY H 2.450 . 3.100 3.418 3.342 3.494 0.394 10 0 "[ . 1 .]" 1
2550 4 89 ASN HB2 4 90 GLY H 3.110 . 4.420 4.159 3.886 4.341 . 0 0 "[ . 1 .]" 1
2551 4 89 ASN HB3 4 90 GLY H 3.110 . 4.420 3.415 3.171 3.677 . 0 0 "[ . 1 .]" 1
2552 4 89 ASN H 4 90 GLY H 3.110 . 4.420 2.592 2.315 2.805 . 0 0 "[ . 1 .]" 1
2553 4 89 ASN QB 4 90 GLY H 3.270 . 4.750 3.262 3.078 3.474 . 0 0 "[ . 1 .]" 1
2554 4 89 ASN QB 4 119 ASN HA 4.010 . 6.220 18.335 17.999 18.735 12.515 7 15 [******+****-***] 1
2555 4 89 ASN QB 4 120 ILE H 3.820 . 5.840 16.632 16.280 16.986 11.146 7 15 [******+****-***] 1
2556 4 90 GLY H 4 91 LYS QD 4.330 . 6.860 6.024 5.704 6.452 . 0 0 "[ . 1 .]" 1
2557 4 91 LYS HA 4 91 LYS QD 3.660 . 5.460 3.576 2.123 4.257 . 0 0 "[ . 1 .]" 1
2558 4 91 LYS QB 4 91 LYS QD 3.280 . 4.760 2.461 2.233 2.874 . 0 0 "[ . 1 .]" 1
2559 4 91 LYS H 4 91 LYS QD 3.730 . 5.660 4.487 4.034 4.921 . 0 0 "[ . 1 .]" 1
2560 4 91 LYS HA 4 92 GLU H 2.620 . 3.440 2.389 2.235 2.650 . 0 0 "[ . 1 .]" 1
2561 4 91 LYS H 4 92 GLU H 3.250 . 4.710 4.550 4.405 4.715 0.005 9 0 "[ . 1 .]" 1
2562 4 91 LYS QD 4 92 GLU H 4.160 . 6.450 4.527 3.282 5.283 . 0 0 "[ . 1 .]" 1
2563 4 91 LYS QD 4 93 VAL QG 4.300 . 6.800 5.079 4.582 5.936 . 0 0 "[ . 1 .]" 1
2564 4 91 LYS QB 4 118 TYR HA 3.230 . 4.660 16.986 16.740 17.207 12.547 7 15 [******+****-***] 1
2565 4 91 LYS QB 4 118 TYR H 2.940 . 4.080 18.538 18.253 18.816 14.736 7 15 [******+****-***] 1
2566 4 91 LYS QB 4 118 TYR QD 4.320 . 6.840 14.005 13.646 14.315 7.475 14 15 [*****-*******+*] 1
2567 4 91 LYS H 4 118 TYR QB 3.070 . 4.340 17.915 17.367 18.283 13.943 5 15 [****+******-***] 1
2568 4 91 LYS H 4 118 TYR H 3.000 . 4.200 22.714 22.137 23.127 18.927 5 15 [****+******-***] 1
2569 4 91 LYS H 4 118 TYR QD 4.710 . 7.630 17.433 16.781 17.907 10.277 11 15 [*****-****+****] 1
2570 4 91 LYS QD 4 118 TYR H 4.060 . 6.320 19.871 19.038 20.772 14.452 13 15 [***-********+**] 1
2571 4 91 LYS QD 4 118 TYR HA 4.640 . 7.480 18.553 17.817 19.379 11.899 13 15 [***-********+**] 1
2572 4 91 LYS QD 4 118 TYR QB 3.840 . 5.880 16.033 15.238 16.876 10.996 1 15 [+**-***********] 1
2573 4 91 LYS QD 4 118 TYR QD 5.120 . 8.440 15.239 14.353 16.204 7.764 1 15 [+**-***********] 1
2574 4 91 LYS QB 4 119 ASN H 3.480 . 5.170 15.181 15.009 15.447 10.277 7 15 [******+****-***] 1
2575 4 92 GLU HA 4 92 GLU HG2 2.900 . 4.000 3.430 2.469 3.837 . 0 0 "[ . 1 .]" 1
2576 4 92 GLU HA 4 92 GLU HG3 2.900 . 4.000 2.704 2.366 3.609 . 0 0 "[ . 1 .]" 1
2577 4 92 GLU H 4 92 GLU HB2 2.770 . 3.740 2.446 2.198 2.692 . 0 0 "[ . 1 .]" 1
2578 4 92 GLU H 4 92 GLU QG 3.270 . 4.740 3.579 3.165 4.093 . 0 0 "[ . 1 .]" 1
2579 4 92 GLU HA 4 93 VAL H 2.580 . 3.360 2.191 2.141 2.258 . 0 0 "[ . 1 .]" 1
2580 4 92 GLU HA 4 93 VAL QG 3.300 . 4.800 3.284 3.147 3.396 . 0 0 "[ . 1 .]" 1
2581 4 92 GLU HB3 4 93 VAL H 2.990 . 4.180 2.937 2.726 3.402 . 0 0 "[ . 1 .]" 1
2582 4 93 VAL HA 4 93 VAL QG 3.130 . 4.460 2.348 2.169 2.417 . 0 0 "[ . 1 .]" 1
2583 4 93 VAL H 4 93 VAL QG 3.280 . 4.760 2.398 2.212 2.598 . 0 0 "[ . 1 .]" 1
2584 4 93 VAL HA 4 94 LEU HA 3.270 . 4.740 4.519 4.479 4.546 . 0 0 "[ . 1 .]" 1
2585 4 93 VAL HA 4 94 LEU HB2 3.320 . 4.840 4.607 4.230 4.796 . 0 0 "[ . 1 .]" 1
2586 4 93 VAL HB 4 94 LEU H 2.740 . 3.680 2.782 2.427 3.207 . 0 0 "[ . 1 .]" 1
2587 4 93 VAL H 4 94 LEU H 3.210 . 4.620 4.398 4.337 4.429 . 0 0 "[ . 1 .]" 1
2588 4 93 VAL QG 4 94 LEU H 3.550 . 5.300 2.796 2.096 3.447 . 0 0 "[ . 1 .]" 1
2589 4 93 VAL H 4 118 TYR H 3.190 . 4.590 17.223 17.008 17.375 12.785 3 15 [**+********-***] 1
2590 4 93 VAL QG 4 118 TYR H 3.600 . 5.400 11.074 10.345 11.661 6.261 9 15 [********+*****-] 1
2591 4 93 VAL QG 4 118 TYR QD 4.430 . 7.060 7.633 6.894 8.326 1.266 9 9 "[* * .-* +*** *.]" 1
2592 4 93 VAL QG 4 118 TYR QE 4.820 . 7.840 8.007 7.075 8.785 0.945 14 8 "[* * . - **** +.]" 1
2593 4 94 LEU H 4 94 LEU HB3 2.900 . 4.000 3.713 3.570 3.762 . 0 0 "[ . 1 .]" 1
2594 4 94 LEU HA 4 95 LYS HA 3.190 . 4.590 4.496 4.444 4.532 . 0 0 "[ . 1 .]" 1
2595 4 94 LEU HA 4 95 LYS QD 3.080 . 4.370 4.309 4.106 4.577 0.207 13 0 "[ . 1 .]" 1
2596 4 94 LEU HA 4 95 LYS H 2.530 . 3.260 2.239 2.192 2.310 . 0 0 "[ . 1 .]" 1
2597 4 94 LEU HB2 4 95 LYS H 2.850 . 3.900 4.271 4.151 4.428 0.528 9 2 "[ . +1 -]" 1
2598 4 94 LEU HB3 4 95 LYS H 2.690 . 3.580 3.584 3.379 4.119 0.539 9 1 "[ . +1 .]" 1
2599 4 94 LEU H 4 95 LYS HA 3.540 . 5.290 4.724 4.576 4.834 . 0 0 "[ . 1 .]" 1
2600 4 94 LEU H 4 95 LYS H 3.290 . 4.790 4.237 3.738 4.342 . 0 0 "[ . 1 .]" 1
2601 4 95 LYS H 4 95 LYS QD 2.780 . 3.760 3.530 2.684 3.777 0.017 13 0 "[ . 1 .]" 1
2602 4 95 LYS H 4 95 LYS QE 3.220 . 4.640 5.248 4.374 5.481 0.841 7 14 "[******+* ****-*]" 1
2603 4 95 LYS QD 4 96 THR H 3.650 . 5.500 4.408 4.250 4.635 . 0 0 "[ . 1 .]" 1
2604 4 95 LYS QZ 4 96 THR HA 3.420 . 5.040 8.192 6.099 8.514 3.474 5 15 [****+*-********] 1
2605 4 95 LYS QB 4 96 THR H 3.210 . 4.630 3.338 3.112 3.473 . 0 0 "[ . 1 .]" 1
2606 4 95 LYS QZ 4 97 MET HA 3.360 . 4.920 9.774 7.357 10.283 5.363 5 15 [****+*-********] 1
2607 4 95 LYS QZ 4 97 MET QB 3.280 . 4.760 9.897 7.624 10.311 5.551 5 15 [****+*-********] 1
2608 4 95 LYS QZ 4 97 MET H 3.000 . 4.210 9.775 7.569 10.166 5.956 5 15 [****+*-********] 1
2609 4 95 LYS QE 4 114 THR HA 3.330 . 4.870 20.974 20.585 21.279 16.409 6 15 [*****+******-**] 1
2610 4 95 LYS QZ 4 114 THR HA 3.370 . 4.940 20.704 18.274 21.161 16.221 5 15 [****+*-********] 1
2611 4 95 LYS H 4 114 THR H 2.810 . 3.820 24.143 23.938 24.772 20.952 9 15 [********+**-***] 1
2612 4 95 LYS QD 4 115 ARG HA 3.520 . 5.250 18.355 18.110 18.601 13.351 8 15 [*******+***-***] 1
2613 4 95 LYS QE 4 115 ARG H 2.740 . 3.680 19.154 18.752 19.483 15.803 6 15 [*****+*******-*] 1
2614 4 95 LYS H 4 115 ARG H 3.250 . 4.710 19.850 19.596 20.495 15.785 9 15 [********+**-***] 1
2615 4 95 LYS QD 4 116 VAL HB 3.250 . 4.710 15.694 15.387 15.875 11.165 5 15 [****+******-***] 1
2616 4 95 LYS QE 4 116 VAL HB 3.400 . 5.000 15.775 15.377 16.145 11.145 6 15 [*****+*******-*] 1
2617 4 95 LYS H 4 116 VAL H 3.190 . 4.590 17.911 17.626 18.275 13.685 9 15 [********+**-***] 1
2618 4 96 THR HA 4 97 MET HA 3.040 . 4.290 4.427 4.356 4.465 0.175 9 0 "[ . 1 .]" 1
2619 4 96 THR H 4 97 MET HA 3.280 . 4.760 4.988 4.905 5.044 0.284 13 0 "[ . 1 .]" 1
2620 4 96 THR HA 4 113 ALA HA 3.130 . 4.460 21.166 21.020 21.343 16.883 3 15 [**+******-*****] 1
2621 4 96 THR HA 4 114 THR H 2.960 . 4.120 19.419 19.278 19.619 15.499 3 15 [**+-***********] 1
2622 4 96 THR H 4 114 THR H 3.650 . 5.500 20.522 20.319 20.747 15.247 3 15 [*-+************] 1
2623 4 97 MET H 4 97 MET QB 2.950 . 4.100 2.430 2.302 2.622 . 0 0 "[ . 1 .]" 1
2624 4 97 MET H 4 98 TRP H 3.410 . 5.020 4.296 4.240 4.342 . 0 0 "[ . 1 .]" 1
2625 4 97 MET H 4 112 LYS H 3.030 . 4.260 21.459 21.263 21.753 17.493 3 15 [*-+************] 1
2626 4 97 MET QB 4 112 LYS H 3.870 . 5.940 16.962 16.699 17.292 11.352 14 15 [***-*********+*] 1
2627 4 97 MET H 4 113 ALA HA 2.940 . 4.090 18.898 18.728 19.078 14.988 3 15 [**+*****-******] 1
2628 4 97 MET H 4 114 THR H 3.440 . 5.090 17.161 17.019 17.397 12.307 3 15 [**+-***********] 1
2629 4 98 TRP HA 4 98 TRP HD1 3.250 . 4.710 4.144 4.069 4.189 . 0 0 "[ . 1 .]" 1
2630 4 98 TRP H 4 98 TRP HD1 3.640 . 5.480 2.969 2.861 3.073 . 0 0 "[ . 1 .]" 1
2631 4 98 TRP H 4 99 LEU H 3.590 . 5.380 4.440 4.389 4.478 . 0 0 "[ . 1 .]" 1
2632 4 98 TRP QB 4 99 LEU H 3.510 . 5.220 2.307 2.250 2.372 . 0 0 "[ . 1 .]" 1
2633 4 98 TRP HD1 4 99 LEU H 3.350 . 4.910 5.545 5.516 5.578 0.668 9 15 [********+*****-] 1
2634 4 98 TRP HA 4 110 ASP HA 3.540 . 5.280 17.063 16.813 17.240 11.960 3 15 [**+*-**********] 1
2635 4 98 TRP HA 4 110 ASP QB 3.730 . 5.670 16.288 15.615 16.683 11.013 3 15 [*-+************] 1
2636 4 98 TRP HD1 4 110 ASP QB 3.720 . 5.640 18.683 18.018 19.001 13.361 6 15 [*-***+*********] 1
2637 4 98 TRP QB 4 111 TRP HA 3.890 . 5.980 15.635 15.464 15.885 9.905 6 15 [*-***+*********] 1
2638 4 98 TRP HD1 4 111 TRP HA 3.560 . 5.330 19.090 18.775 19.280 13.950 9 15 [*-******+******] 1
2639 4 99 LEU H 4 99 LEU QB 3.140 . 4.480 2.779 2.714 2.820 . 0 0 "[ . 1 .]" 1
2640 4 99 LEU HA 4 100 LEU H 2.520 . 3.230 2.079 2.038 2.141 . 0 0 "[ . 1 .]" 1
2641 4 99 LEU QB 4 100 LEU H 2.920 . 4.040 3.706 3.663 3.755 . 0 0 "[ . 1 .]" 1
2642 4 99 LEU QB 4 101 ARG QG 4.110 . 6.420 6.243 4.608 6.980 0.560 14 1 "[ . 1 +.]" 1
2643 4 99 LEU HA 4 110 ASP HA 3.650 . 5.500 13.017 12.775 13.194 7.694 3 15 [**+*-**********] 1
2644 4 99 LEU HA 4 110 ASP QB 3.730 . 5.660 12.830 12.184 13.222 7.562 6 15 [*-***+*********] 1
2645 4 99 LEU QB 4 110 ASP QB 3.330 . 4.860 11.237 10.648 11.592 6.732 6 15 [*-***+*********] 1
2646 4 99 LEU H 4 110 ASP HA 3.020 . 4.250 15.004 14.739 15.151 10.901 6 15 [****-+*********] 1
2647 4 99 LEU H 4 110 ASP QB 3.420 . 5.040 14.514 13.853 14.916 9.876 6 15 [*-***+*********] 1
2648 4 99 LEU QB 4 110 ASP HA 3.370 . 4.940 11.736 11.524 11.911 6.971 7 15 [****-*+********] 1
2649 4 99 LEU H 4 111 TRP HA 3.130 . 4.460 15.291 15.116 15.516 11.056 6 15 [*-***+*********] 1
2650 4 100 LEU H 4 100 LEU QB 3.060 . 4.330 2.526 2.466 2.617 . 0 0 "[ . 1 .]" 1
2651 4 100 LEU HA 4 101 ARG HA 3.290 . 4.790 4.296 4.238 4.356 . 0 0 "[ . 1 .]" 1
2652 4 100 LEU HA 4 101 ARG H 2.600 . 3.410 2.001 1.925 2.072 . 0 0 "[ . 1 .]" 1
2653 4 100 LEU HA 4 101 ARG QG 4.380 . 6.960 5.361 3.943 5.726 . 0 0 "[ . 1 .]" 1
2654 4 101 ARG HA 4 101 ARG QG 3.380 . 4.960 2.606 2.318 2.939 . 0 0 "[ . 1 .]" 1
2655 4 101 ARG H 4 101 ARG QG 3.410 . 5.020 4.117 3.331 4.321 . 0 0 "[ . 1 .]" 1
2656 4 101 ARG QG 4 102 SER H 3.730 . 5.670 3.349 2.879 4.280 . 0 0 "[ . 1 .]" 1
2657 4 101 ARG HA 4 106 ASP QB 3.390 . 4.980 12.642 12.193 12.953 7.973 3 15 [**+********-***] 1
2658 4 101 ARG QG 4 106 ASP QB 3.150 . 4.500 10.915 10.015 12.512 8.012 7 15 [******+****-***] 1
2659 4 101 ARG QG 4 106 ASP H 4.430 . 7.060 10.291 9.126 12.247 5.187 7 15 [******+****-***] 1
2660 4 101 ARG QG 4 107 ILE HA 3.480 . 5.170 9.465 8.929 10.898 5.728 7 15 [******+*******-] 1
2661 4 101 ARG QG 4 107 ILE H 4.250 . 6.710 11.522 10.665 13.162 6.452 7 15 [******+****-***] 1
2662 4 101 ARG QG 4 107 ILE HB 4.120 . 6.430 11.128 10.544 12.546 6.116 7 15 [******+****-***] 1
2663 4 101 ARG QG 4 109 ASP H 4.120 . 6.450 10.122 9.599 11.611 5.161 7 15 [*-****+********] 1
2664 4 101 ARG HA 4 110 ASP QB 3.630 . 5.460 8.079 7.301 8.592 3.132 3 15 [*-+************] 1
2665 4 101 ARG QG 4 110 ASP QB 3.520 . 5.240 6.532 5.404 7.898 2.658 7 12 "[* ****+ *****-.]" 1
2666 4 101 ARG QG 4 110 ASP HA 3.820 . 5.840 6.348 5.815 7.659 1.819 7 4 "[ **- + 1 .]" 1
2667 4 101 ARG QG 4 110 ASP H 4.100 . 6.400 8.777 8.268 10.090 3.690 7 15 [*-****+********] 1
2668 4 102 SER H 4 103 SER H 2.810 . 3.830 4.634 4.539 4.753 0.923 8 15 [******-+*******] 1
2669 4 102 SER QB 4 103 SER H 3.190 . 4.580 2.452 1.909 3.199 . 0 0 "[ . 1 .]" 1
2670 4 103 SER H 4 103 SER QB 2.340 . 2.880 2.623 2.359 3.071 0.191 9 0 "[ . 1 .]" 1
2671 4 103 SER HA 4 104 VAL HA 3.260 . 4.720 4.631 4.526 4.799 0.079 15 0 "[ . 1 .]" 1
2672 4 103 SER HA 4 104 VAL HB 3.600 . 5.410 5.575 4.392 6.046 0.636 11 8 "[ * **- **+* .]" 1
2673 4 103 SER HA 4 104 VAL H 2.460 . 3.120 2.342 2.162 2.648 . 0 0 "[ . 1 .]" 1
2674 4 103 SER HA 4 104 VAL QG 3.460 . 5.130 3.838 3.605 4.453 . 0 0 "[ . 1 .]" 1
2675 4 103 SER QB 4 104 VAL QG 4.020 . 5.540 4.740 4.535 5.187 . 0 0 "[ . 1 .]" 1
2676 4 103 SER QB 4 104 VAL H 2.610 . 3.420 3.938 3.754 4.087 0.667 2 9 "[ +*-.*** * **]" 1
2677 4 103 SER H 4 104 VAL H 3.230 . 4.670 3.639 3.267 3.845 . 0 0 "[ . 1 .]" 1
2678 4 103 SER HA 4 105 ASN H 2.870 . 3.940 6.173 3.172 6.482 2.542 6 14 "[*****+*-*** ***]" 1
2679 4 103 SER QB 4 105 ASN H 2.720 . 3.640 6.281 3.562 6.868 3.228 7 14 "[******+**** **-]" 1
2680 4 104 VAL HA 4 104 VAL QG 2.890 . 3.970 2.141 1.953 2.229 . 0 0 "[ . 1 .]" 1
2681 4 104 VAL H 4 104 VAL HB 2.580 . 3.360 3.366 2.181 3.853 0.493 9 0 "[ . 1 .]" 1
2682 4 104 VAL H 4 104 VAL QG 2.960 . 4.130 2.170 1.832 2.934 . 0 0 "[ . 1 .]" 1
2683 4 104 VAL HB 4 105 ASN H 3.020 . 4.240 2.771 1.930 4.314 0.074 15 0 "[ . 1 .]" 1
2684 4 104 VAL H 4 105 ASN H 2.840 . 3.880 4.443 2.453 4.724 0.844 14 13 "[****-*** ** *+*]" 1
2685 4 104 VAL QG 4 105 ASN H 3.050 . 4.300 2.602 1.785 3.087 0.015 1 0 "[ . 1 .]" 1
2686 4 104 VAL QG 4 105 ASN HA 3.770 . 5.750 3.932 3.617 4.521 . 0 0 "[ . 1 .]" 1
2687 4 104 VAL H 4 106 ASP H 3.280 . 4.760 5.661 4.746 6.057 1.297 6 13 "[-****+**** ***]" 1
2688 4 104 VAL QG 4 106 ASP H 4.050 . 6.300 2.729 1.751 3.619 0.049 1 0 "[ . 1 .]" 1
2689 4 105 ASN H 4 106 ASP H 2.670 . 3.530 2.276 1.799 3.475 0.011 9 0 "[ . 1 .]" 1
2690 4 105 ASN H 4 107 ILE H 3.190 . 4.580 6.573 6.153 7.264 2.684 15 15 [********-*****+] 1
2691 4 106 ASP H 4 106 ASP QB 2.500 . 3.200 2.478 2.350 2.801 . 0 0 "[ . 1 .]" 1
2692 4 106 ASP H 4 107 ILE H 2.580 . 3.360 4.484 4.302 4.561 1.201 14 15 [-************+*] 1
2693 4 106 ASP HA 4 108 GLY H 3.050 . 4.300 3.879 3.789 3.954 . 0 0 "[ . 1 .]" 1
2694 4 106 ASP H 4 108 GLY H 3.110 . 4.420 4.991 4.822 5.219 0.799 12 11 "[** *-*** **+ *.]" 1
2695 4 106 ASP HA 4 109 ASP H 3.090 . 4.380 4.855 4.690 5.034 0.654 4 5 "[* +. *1 *- .]" 1
2696 4 107 ILE H 4 107 ILE HB 3.070 . 4.340 2.489 2.369 2.624 . 0 0 "[ . 1 .]" 1
2697 4 107 ILE H 4 108 GLY H 2.660 . 3.520 2.597 2.383 2.781 . 0 0 "[ . 1 .]" 1
2698 4 107 ILE HB 4 108 GLY H 3.250 . 4.700 4.147 4.055 4.234 . 0 0 "[ . 1 .]" 1
2699 4 107 ILE HA 4 110 ASP QB 3.170 . 4.540 3.158 2.948 3.518 . 0 0 "[ . 1 .]" 1
2700 4 107 ILE HB 4 110 ASP QB 4.190 . 6.580 5.270 5.006 5.657 . 0 0 "[ . 1 .]" 1
2701 4 108 GLY H 4 109 ASP H 2.800 . 3.800 2.775 2.596 2.900 . 0 0 "[ . 1 .]" 1
2702 4 108 GLY H 4 110 ASP H 3.140 . 4.480 4.469 4.263 4.577 0.097 10 0 "[ . 1 .]" 1
2703 4 109 ASP H 4 109 ASP QB 3.150 . 4.500 2.540 2.489 2.597 . 0 0 "[ . 1 .]" 1
2704 4 109 ASP HB2 4 110 ASP H 3.250 . 4.710 3.940 3.752 4.096 . 0 0 "[ . 1 .]" 1
2705 4 109 ASP HB3 4 110 ASP H 3.250 . 4.710 4.262 4.163 4.364 . 0 0 "[ . 1 .]" 1
2706 4 109 ASP H 4 110 ASP HA 3.380 . 4.960 4.565 4.489 4.687 . 0 0 "[ . 1 .]" 1
2707 4 109 ASP H 4 110 ASP H 2.490 . 3.180 2.203 2.144 2.339 . 0 0 "[ . 1 .]" 1
2708 4 109 ASP H 4 110 ASP QB 3.290 . 4.780 3.838 3.702 4.098 . 0 0 "[ . 1 .]" 1
2709 4 110 ASP H 4 110 ASP QB 2.910 . 4.020 2.160 2.018 2.279 . 0 0 "[ . 1 .]" 1
2710 4 110 ASP HA 4 111 TRP HA 3.650 . 5.500 4.989 4.928 5.021 . 0 0 "[ . 1 .]" 1
2711 4 110 ASP H 4 111 TRP H 2.750 . 3.690 2.682 2.645 2.712 . 0 0 "[ . 1 .]" 1
2712 4 110 ASP QB 4 111 TRP HA 3.940 . 6.080 4.441 4.101 4.947 . 0 0 "[ . 1 .]" 1
2713 4 110 ASP QB 4 111 TRP H 3.330 . 4.870 2.986 2.629 3.535 . 0 0 "[ . 1 .]" 1
2714 4 111 TRP HA 4 112 LYS H 2.600 . 3.400 3.562 3.516 3.601 0.201 12 0 "[ . 1 .]" 1
2715 4 111 TRP HA 4 112 LYS QB 3.500 . 5.200 5.357 5.238 5.461 0.261 10 0 "[ . 1 .]" 1
2716 4 112 LYS HA 4 112 LYS QD 3.230 . 4.660 4.366 4.162 4.543 . 0 0 "[ . 1 .]" 1
2717 4 112 LYS HA 4 112 LYS QG 2.940 . 4.080 3.373 3.326 3.431 . 0 0 "[ . 1 .]" 1
2718 4 112 LYS H 4 112 LYS HB2 2.890 . 3.970 3.683 3.636 3.739 . 0 0 "[ . 1 .]" 1
2719 4 112 LYS H 4 112 LYS HB3 2.890 . 3.970 2.797 2.510 3.065 . 0 0 "[ . 1 .]" 1
2720 4 113 ALA HA 4 114 THR H 2.520 . 3.240 3.312 3.247 3.369 0.129 1 0 "[ . 1 .]" 1
2721 4 113 ALA H 4 114 THR H 3.210 . 4.620 2.705 2.606 2.764 . 0 0 "[ . 1 .]" 1
2722 4 114 THR H 4 115 ARG H 3.170 . 4.540 4.490 4.455 4.557 0.017 1 0 "[ . 1 .]" 1
2723 4 114 THR HA 4 115 ARG H 2.770 . 3.730 2.153 2.051 2.285 . 0 0 "[ . 1 .]" 1
2724 4 114 THR HA 4 115 ARG QD 4.520 . 7.240 4.986 2.751 6.676 . 0 0 "[ . 1 .]" 1
2725 4 115 ARG HA 4 115 ARG QD 3.980 . 6.170 3.756 3.472 3.930 . 0 0 "[ . 1 .]" 1
2726 4 115 ARG H 4 115 ARG QD 3.750 . 5.710 4.139 2.582 5.223 . 0 0 "[ . 1 .]" 1
2727 4 115 ARG H 4 115 ARG HE 4.430 . 7.060 5.388 4.608 6.652 . 0 0 "[ . 1 .]" 1
2728 4 115 ARG HA 4 116 VAL H 2.600 . 3.400 2.323 2.142 2.475 . 0 0 "[ . 1 .]" 1
2729 4 115 ARG HB2 4 116 VAL H 3.170 . 4.550 4.099 3.459 4.610 0.060 1 0 "[ . 1 .]" 1
2730 4 115 ARG HB3 4 116 VAL H 3.170 . 4.550 3.416 2.779 4.471 . 0 0 "[ . 1 .]" 1
2731 4 115 ARG H 4 116 VAL H 3.200 . 4.600 4.333 4.171 4.518 . 0 0 "[ . 1 .]" 1
2732 4 115 ARG QD 4 116 VAL HA 4.160 . 6.520 6.213 4.962 6.811 0.291 10 0 "[ . 1 .]" 1
2733 4 115 ARG QD 4 116 VAL H 4.110 . 6.420 5.058 4.341 5.447 . 0 0 "[ . 1 .]" 1
2734 4 116 VAL HA 4 117 GLY H 2.650 . 3.500 2.219 2.165 2.291 . 0 0 "[ . 1 .]" 1
2735 4 116 VAL H 4 117 GLY H 3.080 . 4.360 4.479 4.368 4.563 0.203 6 0 "[ . 1 .]" 1
2736 4 117 GLY H 4 118 TYR H 3.290 . 4.790 4.434 4.368 4.534 . 0 0 "[ . 1 .]" 1
2737 4 118 TYR HA 4 118 TYR QD 4.090 . 6.380 3.743 3.666 3.768 . 0 0 "[ . 1 .]" 1
2738 4 118 TYR H 4 118 TYR QD 4.070 . 6.340 2.509 2.353 2.686 . 0 0 "[ . 1 .]" 1
2739 4 118 TYR HA 4 119 ASN H 2.570 . 3.340 2.258 2.219 2.315 . 0 0 "[ . 1 .]" 1
2740 4 118 TYR QB 4 119 ASN H 3.050 . 4.180 2.732 2.524 2.882 . 0 0 "[ . 1 .]" 1
2741 4 119 ASN HA 4 120 ILE HA 3.190 . 4.590 4.506 4.430 4.561 . 0 0 "[ . 1 .]" 1
2742 4 119 ASN HA 4 120 ILE H 2.650 . 3.500 2.248 2.103 2.337 . 0 0 "[ . 1 .]" 1
2743 4 120 ILE HA 4 121 PHE H 2.520 . 3.230 2.122 2.020 2.195 . 0 0 "[ . 1 .]" 1
2744 4 120 ILE H 4 121 PHE H 3.560 . 5.320 4.273 4.143 4.369 . 0 0 "[ . 1 .]" 1
2745 4 121 PHE HA 4 121 PHE QB 2.370 . 2.940 2.344 2.248 2.508 . 0 0 "[ . 1 .]" 1
2746 4 121 PHE HA 4 121 PHE QD 3.400 . 5.000 3.173 2.614 3.462 . 0 0 "[ . 1 .]" 1
2747 4 121 PHE H 4 121 PHE QB 2.420 . 3.030 2.644 2.314 2.851 . 0 0 "[ . 1 .]" 1
2748 4 121 PHE H 4 121 PHE QD 4.110 . 6.420 2.749 2.163 3.579 . 0 0 "[ . 1 .]" 1
2749 4 121 PHE QD 4 122 THR HB 4.170 . 6.540 7.355 6.522 7.620 1.080 8 12 "[*****-*+ ** **.]" 1
2750 4 122 THR HA 4 122 THR HB 2.640 . 3.480 2.500 2.434 2.577 . 0 0 "[ . 1 .]" 1
2751 4 122 THR HA 4 122 THR HG1 3.150 . 4.500 2.282 2.198 2.366 . 0 0 "[ . 1 .]" 1
2752 4 123 ARG HA 4 123 ARG HG2 3.040 . 4.290 2.658 2.608 2.728 . 0 0 "[ . 1 .]" 1
2753 4 124 LEU HA 4 124 LEU HG 3.430 . 5.060 2.396 2.125 3.351 . 0 0 "[ . 1 .]" 1
2754 4 125 ARG HA 4 125 ARG QD 3.020 . 4.250 3.080 2.141 3.507 . 0 0 "[ . 1 .]" 1
2755 4 125 ARG HA 4 126 THR H 2.540 . 3.270 2.453 2.102 3.118 . 0 0 "[ . 1 .]" 1
2756 4 125 ARG QB 4 126 THR H 3.570 . 5.340 3.802 2.610 4.182 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 93
_Distance_constraint_stats_list.Viol_count 1395
_Distance_constraint_stats_list.Viol_total 382102.438
_Distance_constraint_stats_list.Viol_max 45.292
_Distance_constraint_stats_list.Viol_rms 6.2421
_Distance_constraint_stats_list.Viol_average_all_restraints 18.2606
_Distance_constraint_stats_list.Viol_average_violations_only 18.2606
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 37 ILE 422.954 28.550 3 15 [**+***********-]
1 49 LEU 805.977 27.419 8 15 [*******+**-****]
1 50 SER 1032.469 45.292 10 15 [*********+-****]
1 52 LEU 2153.926 27.396 8 15 [*******+*-*****]
1 65 PHE 315.582 21.339 2 15 [*+*******-*****]
1 67 PHE 657.127 23.104 13 15 [*********-**+**]
1 75 GLU 230.562 15.707 6 15 [*****+*****-***]
1 76 SER 512.320 18.846 9 15 [********+*****-]
1 77 THR 249.988 17.853 5 15 [****+*********-]
1 78 THR 1237.552 18.835 9 15 [********+**-***]
1 79 VAL 817.502 15.949 13 15 [**********-*+**]
1 80 PHE 396.380 16.490 4 15 [**-+***********]
1 84 CYS 578.320 24.105 2 15 [*+*********-***]
1 95 LYS 347.941 23.673 3 15 [**+***-********]
1 96 THR 207.631 14.317 10 15 [***-*****+*****]
1 98 TRP 1597.150 17.250 6 15 [*****+*****-***]
1 101 ARG 154.017 10.879 5 15 [**-*+**********]
1 104 VAL 576.567 24.051 2 15 [*+*********-***]
1 106 ASP 423.154 28.602 3 15 [**+***********-]
1 109 ASP 347.867 23.658 3 15 [**+***-********]
2 37 ILE 423.045 28.528 3 15 [*-+************]
2 49 LEU 805.146 27.396 8 15 [*******+***-***]
2 50 SER 377.225 25.503 3 15 [**+*******-****]
2 52 LEU 2156.182 27.414 8 15 [*******+*-*****]
2 65 PHE 315.186 21.294 2 15 [*+*******-*****]
2 67 PHE 656.459 23.085 13 15 [*********-**+**]
2 75 GLU 230.424 15.698 6 15 [*****+*****-***]
2 76 SER 512.210 18.833 9 15 [********+*****-]
2 77 THR 250.442 17.852 5 15 [****+*********-]
2 78 THR 1238.223 18.853 9 15 [********+**-***]
2 79 VAL 817.671 15.956 13 15 [**********-*+**]
2 80 PHE 396.322 16.495 4 15 [**-+***********]
2 84 CYS 576.835 24.049 2 15 [*+*********-***]
2 95 LYS 347.981 23.678 3 15 [**+***-********]
2 96 THR 207.504 14.286 10 15 [***-*****+*****]
2 98 TRP 1596.228 17.261 6 15 [*****+*****-***]
2 101 ARG 154.022 10.891 5 15 [**-*+**********]
2 104 VAL 576.556 24.036 2 15 [*+*********-***]
2 106 ASP 423.040 28.534 5 15 [*-**+**********]
2 109 ASP 347.798 23.654 3 15 [**+***-********]
3 37 ILE 423.154 28.602 3 15 [**+***********-]
3 49 LEU 805.873 27.414 8 15 [*******+**-****]
3 50 SER 377.755 25.553 3 15 [**+*******-****]
3 52 LEU 2154.016 27.396 8 15 [*******+*-*****]
3 65 PHE 315.528 21.344 2 15 [*+*******-*****]
3 67 PHE 657.026 23.109 13 15 [*********-**+**]
3 75 GLU 230.546 15.722 6 15 [*****+*****-***]
3 76 SER 513.094 18.853 9 15 [********+*****-]
3 77 THR 250.102 17.868 5 15 [****+*********-]
3 78 THR 1236.917 18.833 9 15 [********+**-***]
3 79 VAL 817.058 15.933 13 15 [**********-*+**]
3 80 PHE 396.309 16.471 4 15 [**-+***********]
3 84 CYS 576.556 24.036 2 15 [*+*********-***]
3 95 LYS 347.867 23.658 3 15 [**+***-********]
3 96 THR 207.728 14.295 10 15 [***-*****+*****]
3 98 TRP 1597.358 17.259 6 15 [*****+*****-***]
3 101 ARG 153.932 10.868 5 15 [**-*+**********]
3 104 VAL 576.835 24.049 2 15 [*+*********-***]
3 106 ASP 422.954 28.550 3 15 [**+***********-]
3 109 ASP 347.941 23.673 3 15 [**+***-********]
4 29 ARG 654.813 45.292 10 15 [*********+*-***]
4 37 ILE 423.040 28.534 5 15 [*-**+**********]
4 49 LEU 805.094 27.396 8 15 [*******+***-***]
4 50 SER 377.277 25.509 3 15 [**+*******-****]
4 52 LEU 2156.343 27.419 8 15 [*******+*-*****]
4 65 PHE 315.140 21.293 2 15 [*+*******-*****]
4 67 PHE 656.415 23.081 13 15 [*********-**+**]
4 75 GLU 230.423 15.697 6 15 [*****+*****-***]
4 76 SER 512.085 18.835 9 15 [********+*****-]
4 77 THR 250.056 17.862 5 15 [****+*********-]
4 78 THR 1237.818 18.846 9 15 [********+**-***]
4 79 VAL 817.476 15.946 13 15 [**********-*+**]
4 80 PHE 396.330 16.479 4 15 [**-+***********]
4 84 CYS 576.567 24.051 2 15 [*+*********-***]
4 95 LYS 347.798 23.654 3 15 [**+***-********]
4 96 THR 207.844 14.308 10 15 [***-*****+*****]
4 98 TRP 1597.154 17.257 6 15 [*****+*****-***]
4 101 ARG 153.916 10.888 5 15 [**-*+**********]
4 104 VAL 578.320 24.105 2 15 [*+*********-***]
4 106 ASP 423.045 28.528 3 15 [*-+************]
4 109 ASP 347.981 23.678 3 15 [**+***-********]
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 49 LEU HA 4 52 LEU QD 3.510 . 5.220 31.790 31.519 32.194 26.974 8 15 [*******+**-****] 2
2 1 49 LEU H 4 52 LEU QD 3.750 . 5.710 32.872 32.618 33.129 27.419 8 15 [*******+***-***] 2
3 1 50 SER HG 4 29 ARG H 3.430 . 5.060 48.714 48.050 50.352 45.292 10 15 [*********+*-***] 2
4 1 50 SER HA 4 52 LEU QD 3.650 . 5.500 30.677 30.283 31.042 25.542 3 15 [**+*******-****] 2
5 1 52 LEU QD 4 49 LEU HA 3.510 . 5.220 31.759 31.501 32.170 26.950 8 15 [*******+***-***] 2
6 1 52 LEU QD 4 49 LEU H 3.750 . 5.710 32.844 32.587 33.106 27.396 8 15 [*******+***-***] 2
7 1 52 LEU QD 4 50 SER HA 3.650 . 5.500 30.652 30.294 31.009 25.509 3 15 [**+*******-****] 2
8 1 52 LEU QD 4 65 PHE H 3.880 . 5.960 26.969 26.642 27.253 21.293 2 15 [*+*******-*****] 2
9 1 52 LEU QD 4 67 PHE HA 3.420 . 5.040 27.866 27.545 28.121 23.081 13 15 [*********-**+**] 2
10 1 52 LEU QD 4 67 PHE QB 3.270 . 4.750 25.685 25.421 25.881 21.131 2 15 [*+*******-*****] 2
11 1 65 PHE H 4 52 LEU QD 3.880 . 5.960 26.999 26.651 27.299 21.339 2 15 [*+*******-*****] 2
12 1 67 PHE HA 4 52 LEU QD 3.420 . 5.040 27.889 27.545 28.144 23.104 13 15 [*********-**+**] 2
13 1 67 PHE QB 4 52 LEU QD 3.270 . 4.750 25.710 25.422 25.926 21.176 2 15 [*+*******-*****] 2
14 1 75 GLU HA 4 78 THR MG 3.630 . 5.460 20.831 20.418 21.167 15.707 6 15 [*****+*****-***] 2
15 1 76 SER HG 4 77 THR H 3.690 . 5.590 22.260 20.564 23.452 17.862 5 15 [****+*********-] 2
16 1 76 SER HG 4 78 THR HB 3.850 . 5.910 23.394 21.449 24.756 18.846 9 15 [*******-+******] 2
17 1 77 THR H 4 76 SER HG 3.690 . 5.590 22.256 20.586 23.443 17.853 5 15 [****+*********-] 2
18 1 78 THR MG 4 75 GLU HA 3.630 . 5.460 20.822 20.397 21.157 15.697 6 15 [*****+*****-***] 2
19 1 78 THR HB 4 76 SER HG 3.850 . 5.910 23.383 21.419 24.745 18.835 9 15 [*******-+******] 2
20 1 78 THR MG 4 96 THR H 3.690 . 5.580 19.436 19.212 19.888 14.308 10 15 [***-*****+*****] 2
21 1 78 THR HB 4 98 TRP HA 3.170 . 4.540 21.269 20.376 21.797 17.257 6 15 [*****+*-*******] 2
22 1 78 THR MG 4 98 TRP H 3.630 . 5.460 14.597 14.345 14.969 9.509 10 15 [*********+*-***] 2
23 1 78 THR MG 4 98 TRP HD1 3.920 . 6.040 15.986 15.753 16.351 10.311 10 15 [*********+*-***] 2
24 1 79 VAL H 4 98 TRP QB 3.620 . 5.440 17.318 17.094 17.597 12.157 6 15 [*****+****-****] 2
25 1 79 VAL H 4 98 TRP HD1 3.790 . 5.790 18.760 18.456 19.141 13.351 10 15 [-********+*****] 2
26 1 79 VAL HA 4 98 TRP QB 3.760 . 5.720 19.710 19.527 20.008 14.288 6 15 [*****+**-******] 2
27 1 79 VAL HA 4 98 TRP HD1 3.750 . 5.700 21.363 21.090 21.649 15.949 13 15 [-***********+**] 2
28 1 80 PHE H 4 98 TRP HD1 3.810 . 5.830 21.994 21.716 22.320 16.490 4 15 [***+***-*******] 2
29 1 80 PHE QB 4 101 ARG QG 4.400 . 7.000 17.261 16.485 17.888 10.888 5 15 [**-*+**********] 2
30 1 84 CYS HA 4 104 VAL HB 2.930 . 4.060 27.592 27.200 28.165 24.105 2 15 [*+************-] 2
31 1 84 CYS HA 4 104 VAL QG 3.310 . 4.830 19.853 19.465 20.107 15.277 2 15 [*+*********-***] 2
32 1 96 THR H 4 78 THR MG 3.690 . 5.580 19.422 19.189 19.897 14.317 10 15 [***-*****+*****] 2
33 1 98 TRP HA 4 78 THR HB 3.170 . 4.540 21.270 20.385 21.790 17.250 6 15 [*****+*-*******] 2
34 1 98 TRP H 4 78 THR MG 3.630 . 5.460 14.602 14.352 14.983 9.523 10 15 [*********+*-***] 2
35 1 98 TRP HD1 4 78 THR MG 3.920 . 6.040 15.992 15.755 16.371 10.331 10 15 [*********+*-***] 2
36 1 98 TRP QB 4 79 VAL H 3.620 . 5.440 17.317 17.088 17.596 12.156 6 15 [*****+****-****] 2
37 1 98 TRP QB 4 79 VAL HA 3.760 . 5.720 19.706 19.520 20.002 14.282 6 15 [*****+****-****] 2
38 1 98 TRP HD1 4 79 VAL H 3.790 . 5.790 18.762 18.500 19.166 13.376 10 15 [-********+*****] 2
39 1 98 TRP HD1 4 79 VAL HA 3.750 . 5.700 21.363 21.128 21.646 15.946 13 15 [-***********+**] 2
40 1 98 TRP HD1 4 80 PHE H 3.810 . 5.830 21.984 21.707 22.309 16.479 4 15 [***+***-*******] 2
41 1 101 ARG QG 4 80 PHE QB 4.400 . 7.000 17.268 16.487 17.879 10.879 5 15 [**-*+**********] 2
42 1 104 VAL HB 4 84 CYS HA 2.930 . 4.060 27.526 27.088 28.111 24.051 2 15 [*+*********-***] 2
43 1 104 VAL QG 4 84 CYS HA 3.310 . 4.830 19.802 19.381 20.062 15.232 2 15 [*+*********-***] 2
44 2 49 LEU HA 3 52 LEU QD 3.510 . 5.220 31.761 31.500 32.174 26.954 8 15 [*******+***-***] 2
45 2 49 LEU H 3 52 LEU QD 3.750 . 5.710 32.845 32.586 33.106 27.396 8 15 [*******+***-***] 2
46 2 50 SER HA 3 52 LEU QD 3.650 . 5.500 30.648 30.277 31.003 25.503 3 15 [**+*******-****] 2
47 2 52 LEU QD 3 49 LEU HA 3.510 . 5.220 31.786 31.511 32.190 26.970 8 15 [*******+**-****] 2
48 2 52 LEU QD 3 49 LEU H 3.750 . 5.710 32.869 32.624 33.124 27.414 8 15 [*******+***-***] 2
49 2 52 LEU QD 3 50 SER HA 3.650 . 5.500 30.684 30.300 31.053 25.553 3 15 [**+*******-****] 2
50 2 52 LEU QD 3 65 PHE H 3.880 . 5.960 26.995 26.639 27.304 21.344 2 15 [*+*******-*****] 2
51 2 52 LEU QD 3 67 PHE HA 3.420 . 5.040 27.885 27.540 28.149 23.109 13 15 [*********-**+**] 2
52 2 52 LEU QD 3 67 PHE QB 3.270 . 4.750 25.707 25.417 25.929 21.179 2 15 [*+*******-*****] 2
53 2 65 PHE H 3 52 LEU QD 3.880 . 5.960 26.972 26.632 27.254 21.294 2 15 [*+*******-*****] 2
54 2 67 PHE HA 3 52 LEU QD 3.420 . 5.040 27.868 27.544 28.125 23.085 13 15 [*********-**+**] 2
55 2 67 PHE QB 3 52 LEU QD 3.270 . 4.750 25.686 25.415 25.883 21.133 2 15 [*+*******-*****] 2
56 2 75 GLU HA 3 78 THR MG 3.630 . 5.460 20.822 20.404 21.158 15.698 6 15 [*****+*****-***] 2
57 2 76 SER HG 3 77 THR H 3.690 . 5.590 22.263 20.654 23.458 17.868 5 15 [****+*********-] 2
58 2 76 SER HG 3 78 THR HB 3.850 . 5.910 23.384 21.397 24.743 18.833 9 15 [*******-+******] 2
59 2 77 THR H 3 76 SER HG 3.690 . 5.590 22.286 20.885 23.442 17.852 5 15 [****+*********-] 2
60 2 78 THR MG 3 75 GLU HA 3.630 . 5.460 20.830 20.415 21.182 15.722 6 15 [*****+*****-***] 2
61 2 78 THR HB 3 76 SER HG 3.850 . 5.910 23.420 21.436 24.763 18.853 9 15 [*******-+******] 2
62 2 78 THR MG 3 96 THR H 3.690 . 5.580 19.429 19.203 19.875 14.295 10 15 [***-*****+*****] 2
63 2 78 THR HB 3 98 TRP HA 3.170 . 4.540 21.271 20.378 21.799 17.259 6 15 [*****+*-*******] 2
64 2 78 THR MG 3 98 TRP H 3.630 . 5.460 14.600 14.358 14.963 9.503 10 15 [*********+*-***] 2
65 2 78 THR MG 3 98 TRP HD1 3.920 . 6.040 15.988 15.754 16.349 10.309 10 15 [*********+*-***] 2
66 2 79 VAL H 3 98 TRP QB 3.620 . 5.440 17.323 17.087 17.603 12.163 6 15 [*****+****-****] 2
67 2 79 VAL H 3 98 TRP HD1 3.790 . 5.790 18.763 18.478 19.146 13.356 10 15 [-********+*****] 2
68 2 79 VAL HA 3 98 TRP QB 3.760 . 5.720 19.712 19.523 20.007 14.287 6 15 [*****+****-****] 2
69 2 79 VAL HA 3 98 TRP HD1 3.750 . 5.700 21.364 21.098 21.656 15.956 13 15 [-***********+**] 2
70 2 80 PHE H 3 98 TRP HD1 3.810 . 5.830 21.989 21.723 22.325 16.495 4 15 [-**+***********] 2
71 2 80 PHE QB 3 101 ARG QG 4.400 . 7.000 17.262 16.483 17.868 10.868 5 15 [**-*+**********] 2
72 2 84 CYS HA 3 104 VAL HB 2.930 . 4.060 27.535 27.137 28.109 24.049 2 15 [*+*********-***] 2
73 2 84 CYS HA 3 104 VAL QG 3.310 . 4.830 19.811 19.415 20.058 15.228 2 15 [*+*********-***] 2
74 2 96 THR H 3 78 THR MG 3.690 . 5.580 19.414 19.201 19.866 14.286 10 15 [***-*****+*****] 2
75 2 98 TRP HA 3 78 THR HB 3.170 . 4.540 21.262 20.373 21.801 17.261 6 15 [*****+*-*******] 2
76 2 98 TRP H 3 78 THR MG 3.630 . 5.460 14.593 14.341 14.958 9.498 10 15 [*********+*-***] 2
77 2 98 TRP HD1 3 78 THR MG 3.920 . 6.040 15.977 15.736 16.328 10.288 10 15 [*********+*-***] 2
78 2 98 TRP QB 3 79 VAL H 3.620 . 5.440 17.313 17.082 17.591 12.151 6 15 [*****+****-****] 2
79 2 98 TRP QB 3 79 VAL HA 3.760 . 5.720 19.705 19.517 19.999 14.279 6 15 [*****+****-****] 2
80 2 98 TRP HD1 3 79 VAL H 3.790 . 5.790 18.749 18.462 19.101 13.311 10 15 [-********+*****] 2
81 2 98 TRP HD1 3 79 VAL HA 3.750 . 5.700 21.353 21.095 21.633 15.933 13 15 [-***********+**] 2
82 2 98 TRP HD1 3 80 PHE H 3.810 . 5.830 21.983 21.696 22.301 16.471 4 15 [***+***-*******] 2
83 2 101 ARG QG 3 80 PHE QB 4.400 . 7.000 17.268 16.504 17.891 10.891 5 15 [**-*+**********] 2
84 2 104 VAL HB 3 84 CYS HA 2.930 . 4.060 27.525 27.121 28.096 24.036 2 15 [*+*********-***] 2
85 2 104 VAL QG 3 84 CYS HA 3.310 . 4.830 19.802 19.402 20.055 15.225 2 15 [*+*********-***] 2
86 1 37 ILE QG 3 106 ASP HA 4.260 . 6.720 34.917 34.646 35.270 28.550 3 15 [**+***********-] 2
87 1 95 LYS QZ 3 109 ASP H 3.040 . 4.280 27.476 24.200 27.953 23.673 3 15 [**+***-********] 2
88 1 106 ASP HA 3 37 ILE QG 4.260 . 6.720 34.930 34.639 35.322 28.602 3 15 [**+***********-] 2
89 1 109 ASP H 3 95 LYS QZ 3.040 . 4.280 27.471 24.202 27.938 23.658 3 15 [**+***-********] 2
90 2 37 ILE QG 4 106 ASP HA 4.260 . 6.720 34.923 34.638 35.248 28.528 3 15 [*-+************] 2
91 2 95 LYS QZ 4 109 ASP H 3.040 . 4.280 27.479 24.177 27.958 23.678 3 15 [**+***-********] 2
92 2 106 ASP HA 4 37 ILE QG 4.260 . 6.720 34.923 34.639 35.254 28.534 5 15 [*-**+**********] 2
93 2 109 ASP H 4 95 LYS QZ 3.040 . 4.280 27.467 24.191 27.934 23.654 3 15 [**+***-********] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 204
_Distance_constraint_stats_list.Viol_count 3060
_Distance_constraint_stats_list.Viol_total 718125.125
_Distance_constraint_stats_list.Viol_max 20.722
_Distance_constraint_stats_list.Viol_rms 3.8189
_Distance_constraint_stats_list.Viol_average_all_restraints 15.6454
_Distance_constraint_stats_list.Viol_average_violations_only 15.6454
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 11 GLY 903.207 16.693 11 15 [**********+***-]
1 12 LYS 439.903 15.557 3 15 [**+*-**********]
1 16 ASP 439.903 15.557 3 15 [**+*-**********]
1 17 LEU 1002.459 18.345 13 15 [********-***+**]
1 19 SER 999.382 17.842 6 15 [*****+********-]
1 27 ASN 340.361 12.369 7 15 [-*****+********]
1 32 PHE 999.382 17.842 6 15 [*****+********-]
1 33 THR 556.989 19.816 12 15 [-**********+***]
1 34 GLY 1002.459 18.345 13 15 [********-***+**]
1 47 ILE 556.989 19.816 12 15 [-**********+***]
1 48 THR 422.746 14.838 7 15 [******+*-******]
1 53 LEU 340.361 12.369 7 15 [-*****+********]
1 60 ALA 445.449 16.029 4 15 [***+*******-***]
1 62 GLN 1065.943 18.946 11 15 [********-*+****]
1 64 THR 1132.242 19.820 12 15 [*******-***+***]
1 67 PHE 422.746 14.838 7 15 [******+*-******]
1 68 THR 486.906 17.206 15 15 [********-*****+]
1 73 PHE 486.906 17.206 15 15 [********-*****+]
1 77 THR 1132.242 19.820 12 15 [*******-***+***]
1 78 THR 883.702 15.956 10 15 [*********+****-]
1 79 VAL 1065.943 18.946 11 15 [********-*+****]
1 81 THR 445.449 16.029 4 15 [***+*******-***]
1 93 VAL 575.147 19.932 6 15 [*****+*****-***]
1 94 LEU 883.702 15.956 10 15 [*********+****-]
1 95 LYS 1376.322 20.297 1 15 [+************-*]
1 97 MET 988.161 18.086 3 15 [**+-***********]
1 99 LEU 329.276 11.931 6 15 [****-+*********]
1 107 ILE 15.897 1.077 13 8 "[ *** * * +-*]"
1 110 ASP 345.173 11.931 6 15 [*****+*******-*]
1 112 LYS 988.161 18.086 3 15 [**+-***********]
1 114 THR 1152.961 20.297 1 15 [+-*************]
1 115 ARG 223.361 15.175 4 15 [***+*********-*]
1 116 VAL 575.147 19.932 6 15 [*****+*****-***]
1 119 ASN 903.207 16.693 11 15 [**********+***-]
2 11 GLY 901.263 16.659 11 15 [**********+***-]
2 12 LYS 439.847 15.582 15 15 [****-*********+]
2 16 ASP 439.847 15.582 15 15 [****-*********+]
2 17 LEU 1003.751 18.432 13 15 [********-***+**]
2 19 SER 1009.950 17.936 6 15 [*****+****-****]
2 27 ASN 340.137 12.404 7 15 [-*****+********]
2 32 PHE 1009.950 17.936 6 15 [*****+****-****]
2 33 THR 555.175 19.752 12 15 [-**********+***]
2 34 GLY 1003.751 18.432 13 15 [********-***+**]
2 47 ILE 555.175 19.752 12 15 [-**********+***]
2 48 THR 423.011 14.833 7 15 [******+*-******]
2 53 LEU 340.137 12.404 7 15 [-*****+********]
2 60 ALA 446.317 16.038 4 15 [***+*******-***]
2 62 GLN 1067.579 18.955 11 15 [*******-**+****]
2 64 THR 1132.276 19.832 12 15 [*******-***+***]
2 67 PHE 423.011 14.833 7 15 [******+*-******]
2 68 THR 487.240 17.210 15 15 [********-*****+]
2 73 PHE 487.240 17.210 15 15 [********-*****+]
2 77 THR 1132.276 19.832 12 15 [*******-***+***]
2 78 THR 882.941 15.893 10 15 [*********+****-]
2 79 VAL 1067.579 18.955 11 15 [*******-**+****]
2 81 THR 446.317 16.038 4 15 [***+*******-***]
2 93 VAL 574.696 19.888 10 15 [*********+*-***]
2 94 LEU 882.941 15.893 10 15 [*********+****-]
2 95 LYS 1375.585 20.273 1 15 [+************-*]
2 97 MET 988.165 18.094 3 15 [**+-***********]
2 99 LEU 329.233 11.929 3 15 [**+*-**********]
2 107 ILE 16.084 1.111 13 8 "[ -** * * +**]"
2 110 ASP 345.317 11.929 3 15 [**+************]
2 112 LYS 988.165 18.094 3 15 [**+-***********]
2 114 THR 1152.121 20.273 1 15 [+-*************]
2 115 ARG 223.464 15.156 8 15 [*******+*****-*]
2 116 VAL 574.696 19.888 10 15 [*********+*-***]
2 119 ASN 901.263 16.659 11 15 [**********+***-]
3 11 GLY 901.774 16.737 11 15 [**********+***-]
3 12 LYS 440.115 15.561 10 15 [******-**+*****]
3 16 ASP 440.115 15.561 10 15 [******-**+*****]
3 17 LEU 1002.801 18.385 13 15 [********-***+**]
3 19 SER 999.505 17.826 6 15 [*****+********-]
3 27 ASN 340.473 12.360 7 15 [-*****+********]
3 32 PHE 999.505 17.826 6 15 [*****+********-]
3 33 THR 557.011 19.823 12 15 [********-**+***]
3 34 GLY 1002.801 18.385 13 15 [********-***+**]
3 47 ILE 557.011 19.823 12 15 [********-**+***]
3 48 THR 422.723 14.834 7 15 [******+*-******]
3 53 LEU 340.473 12.360 7 15 [-*****+********]
3 60 ALA 446.067 16.011 4 15 [***+*******-***]
3 62 GLN 1067.320 18.893 11 15 [*******-**+****]
3 64 THR 1132.525 19.833 11 15 [*******-**+****]
3 67 PHE 422.723 14.834 7 15 [******+*-******]
3 68 THR 487.008 17.211 15 15 [********-*****+]
3 73 PHE 487.008 17.211 15 15 [********-*****+]
3 77 THR 1132.525 19.833 11 15 [*******-**+****]
3 78 THR 881.846 15.885 10 15 [********-+*****]
3 79 VAL 1067.320 18.893 11 15 [*******-**+****]
3 81 THR 446.067 16.011 4 15 [***+*******-***]
3 93 VAL 574.837 19.921 1 15 [+**********-***]
3 94 LEU 881.846 15.885 10 15 [********-+*****]
3 95 LYS 1376.521 20.722 9 15 [********+****-*]
3 97 MET 988.076 18.106 3 15 [**+-***********]
3 99 LEU 329.453 11.942 3 15 [**+*-**********]
3 107 ILE 15.980 1.062 13 8 "[ *** * - +**]"
3 110 ASP 345.433 11.942 3 15 [**+******-*****]
3 112 LYS 988.076 18.106 3 15 [**+-***********]
3 114 THR 1153.052 20.722 9 15 [*-******+******]
3 115 ARG 223.469 15.158 8 15 [*******+*****-*]
3 116 VAL 574.837 19.921 1 15 [+**********-***]
3 119 ASN 901.774 16.737 11 15 [**********+***-]
4 11 GLY 900.841 16.758 15 15 [**************+]
4 12 LYS 439.928 15.574 10 15 [****-****+*****]
4 16 ASP 439.928 15.574 10 15 [****-****+*****]
4 17 LEU 1003.964 18.447 13 15 [********-***+**]
4 19 SER 1009.456 17.922 6 15 [*****+****-****]
4 27 ASN 340.088 12.393 7 15 [-*****+********]
4 32 PHE 1009.456 17.922 6 15 [*****+****-****]
4 33 THR 555.288 19.755 12 15 [-**********+***]
4 34 GLY 1003.964 18.447 13 15 [********-***+**]
4 47 ILE 555.288 19.755 12 15 [-**********+***]
4 48 THR 422.993 14.837 7 15 [******+*-******]
4 53 LEU 340.088 12.393 7 15 [-*****+********]
4 60 ALA 445.748 16.003 4 15 [***+*******-***]
4 62 GLN 1067.375 18.940 11 15 [****-*****+****]
4 64 THR 1132.586 19.823 12 15 [*******-***+***]
4 67 PHE 422.993 14.837 7 15 [******+*-******]
4 68 THR 487.172 17.216 15 15 [********-*****+]
4 73 PHE 487.172 17.216 15 15 [********-*****+]
4 77 THR 1132.586 19.823 12 15 [*******-***+***]
4 78 THR 882.805 15.903 10 15 [********-+*****]
4 79 VAL 1067.375 18.940 11 15 [****-*****+****]
4 81 THR 445.748 16.003 4 15 [***+*******-***]
4 93 VAL 575.204 19.893 1 15 [+**********-***]
4 94 LEU 882.805 15.903 10 15 [********-+*****]
4 95 LYS 1376.202 20.717 9 15 [********+****-*]
4 97 MET 988.066 18.110 3 15 [**+-***********]
4 99 LEU 329.528 11.935 6 15 [****-+*********]
4 107 ILE 16.447 1.082 13 7 "[ *** * 1 +-*]"
4 110 ASP 345.975 11.935 6 15 [*****+*******-*]
4 112 LYS 988.066 18.110 3 15 [**+-***********]
4 114 THR 1152.682 20.717 9 15 [*-******+******]
4 115 ARG 223.520 15.181 4 15 [***+*********-*]
4 116 VAL 575.204 19.893 1 15 [+**********-***]
4 119 ASN 900.841 16.758 15 15 [**************+]
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 48 THR O 1 67 PHE H 1.900 . 2.000 16.507 16.167 16.838 14.838 7 15 [******+*-******] 3
2 1 48 THR O 1 67 PHE N 2.850 2.700 3.000 16.676 16.335 17.029 14.029 7 15 [******+*-******] 3
3 1 60 ALA O 1 81 THR H 1.900 . 2.000 17.641 17.073 18.029 16.029 4 15 [***+*******-***] 3
4 1 60 ALA O 1 81 THR N 2.850 2.700 3.000 17.055 16.488 17.431 14.431 4 15 [***+*******-***] 3
5 1 11 GLY H 1 119 ASN O 1.900 . 2.000 16.880 16.071 17.250 15.250 4 15 [***+**********-] 3
6 1 11 GLY N 1 119 ASN O 2.850 2.700 3.000 16.988 16.204 17.303 14.303 6 15 [*****+********-] 3
7 1 11 GLY O 1 119 ASN H 1.900 . 2.000 18.152 17.832 18.693 16.693 11 15 [****-*****+****] 3
8 1 11 GLY O 1 119 ASN N 2.850 2.700 3.000 18.194 17.893 18.732 15.732 11 15 [****-*****+****] 3
9 1 12 LYS H 1 16 ASP O 1.900 . 2.000 17.276 17.058 17.557 15.557 3 15 [**+*-**********] 3
10 1 12 LYS N 1 16 ASP O 2.850 2.700 3.000 17.051 16.870 17.246 14.246 13 15 [****-*******+**] 3
11 1 17 LEU H 1 34 GLY O 1.900 . 2.000 18.087 17.764 18.231 16.231 3 15 [**+*****-******] 3
12 1 17 LEU N 1 34 GLY O 2.850 2.700 3.000 18.727 18.370 18.879 15.879 3 15 [**+*****-******] 3
13 1 17 LEU O 1 34 GLY H 1.900 . 2.000 20.049 19.795 20.345 18.345 13 15 [********-***+**] 3
14 1 17 LEU O 1 34 GLY N 2.850 2.700 3.000 19.968 19.743 20.165 17.165 13 15 [********-***+**] 3
15 1 19 SER H 1 32 PHE O 1.900 . 2.000 19.276 18.659 19.842 17.842 6 15 [*****+****-****] 3
16 1 19 SER N 1 32 PHE O 2.850 2.700 3.000 19.101 18.530 19.607 16.607 6 15 [*****+********-] 3
17 1 19 SER O 1 32 PHE H 1.900 . 2.000 19.103 18.624 19.551 17.551 5 15 [****+*****-****] 3
18 1 19 SER O 1 32 PHE N 2.850 2.700 3.000 19.146 18.656 19.602 16.602 5 15 [****+*****-****] 3
19 1 99 LEU H 1 110 ASP O 1.900 . 2.000 13.743 13.502 13.931 11.931 6 15 [****-+*********] 3
20 1 99 LEU N 1 110 ASP O 2.850 2.700 3.000 13.208 12.966 13.401 10.401 3 15 [**+*-**********] 3
21 1 107 ILE O 1 110 ASP H 1.900 . 2.000 2.525 2.205 3.077 1.077 13 8 "[ *** * * +-*]" 3
22 1 107 ILE O 1 110 ASP N 2.850 2.700 3.000 3.535 3.223 4.062 1.062 13 8 "[ *** * * +-*]" 3
23 1 68 THR H 1 73 PHE O 1.900 . 2.000 18.951 18.693 19.206 17.206 15 15 [********-*****+] 3
24 1 68 THR N 1 73 PHE O 2.850 2.700 3.000 18.509 18.272 18.790 15.790 15 15 [********-*****+] 3
25 1 93 VAL H 1 116 VAL O 1.900 . 2.000 21.770 21.514 21.932 19.932 6 15 [*****+*****-***] 3
26 1 93 VAL N 1 116 VAL O 2.850 2.700 3.000 21.573 21.337 21.744 18.744 6 15 [*****+*****-***] 3
27 1 33 THR O 1 47 ILE H 1.900 . 2.000 21.436 20.798 21.816 19.816 12 15 [-**********+***] 3
28 1 33 THR O 1 47 ILE N 2.850 2.700 3.000 20.696 20.043 21.104 18.104 5 15 [-***+**********] 3
29 1 27 ASN O 1 53 LEU H 1.900 . 2.000 14.150 13.877 14.369 12.369 7 15 [-*****+********] 3
30 1 27 ASN O 1 53 LEU N 2.850 2.700 3.000 13.541 13.221 13.806 10.806 5 15 [-***+**********] 3
31 1 95 LYS QE 1 115 ARG O 1.900 . 2.000 16.891 16.459 17.175 15.175 4 15 [***+*********-*] 3
32 1 62 GLN H 1 79 VAL O 1.900 . 2.000 20.751 20.587 20.946 18.946 11 15 [**********+-***] 3
33 1 62 GLN N 1 79 VAL O 2.850 2.700 3.000 20.412 20.226 20.667 17.667 11 15 [**********+-***] 3
34 1 62 GLN O 1 79 VAL H 1.900 . 2.000 20.083 19.770 20.333 18.333 3 15 [**+******-*****] 3
35 1 62 GLN O 1 79 VAL N 2.850 2.700 3.000 19.817 19.628 20.033 17.033 3 15 [**+*****-******] 3
36 1 64 THR H 1 77 THR O 1.900 . 2.000 21.447 21.281 21.613 19.613 2 15 [*+*****-*******] 3
37 1 64 THR N 1 77 THR O 2.850 2.700 3.000 20.995 20.832 21.118 18.118 2 15 [*+*****-*******] 3
38 1 64 THR O 1 77 THR H 1.900 . 2.000 21.678 21.527 21.820 19.820 12 15 [-**********+***] 3
39 1 64 THR O 1 77 THR N 2.850 2.700 3.000 21.362 21.194 21.521 18.521 11 15 [-*********+****] 3
40 1 78 THR H 1 94 LEU O 1.900 . 2.000 17.380 16.987 17.709 15.709 6 15 [*****+*-*******] 3
41 1 78 THR N 1 94 LEU O 2.850 2.700 3.000 17.388 16.999 17.697 14.697 6 15 [*****+*-*******] 3
42 1 78 THR O 1 94 LEU H 1.900 . 2.000 17.057 16.726 17.956 15.956 10 15 [*********+****-] 3
43 1 78 THR O 1 94 LEU N 2.850 2.700 3.000 17.088 16.787 17.956 14.956 10 15 [*********+****-] 3
44 1 95 LYS H 1 114 THR O 1.900 . 2.000 22.067 21.860 22.297 20.297 1 15 [+-*************] 3
45 1 95 LYS N 1 114 THR O 2.850 2.700 3.000 21.773 21.565 21.969 18.969 1 15 [+-*************] 3
46 1 95 LYS O 1 114 THR H 1.900 . 2.000 21.792 21.556 22.018 20.018 3 15 [*-+************] 3
47 1 95 LYS O 1 114 THR N 2.850 2.700 3.000 21.232 21.000 21.454 18.454 3 15 [*-+************] 3
48 1 97 MET H 1 112 LYS O 1.900 . 2.000 18.650 18.382 18.915 16.915 3 15 [**+-***********] 3
49 1 97 MET N 1 112 LYS O 2.850 2.700 3.000 18.375 18.103 18.634 15.634 3 15 [**+-***********] 3
50 1 97 MET O 1 112 LYS H 1.900 . 2.000 19.821 19.507 20.086 18.086 3 15 [**+-***********] 3
51 1 97 MET O 1 112 LYS N 2.850 2.700 3.000 19.031 18.750 19.289 16.289 3 15 [**+-***********] 3
52 2 48 THR O 2 67 PHE H 1.900 . 2.000 16.518 16.196 16.833 14.833 7 15 [******+*-******] 3
53 2 48 THR O 2 67 PHE N 2.850 2.700 3.000 16.683 16.357 17.023 14.023 7 15 [******+*-******] 3
54 2 60 ALA O 2 81 THR H 1.900 . 2.000 17.668 17.161 18.038 16.038 4 15 [***+*******-***] 3
55 2 60 ALA O 2 81 THR N 2.850 2.700 3.000 17.086 16.584 17.449 14.449 4 15 [***+*******-***] 3
56 2 11 GLY H 2 119 ASN O 1.900 . 2.000 16.856 16.017 17.202 15.202 4 15 [***+**********-] 3
57 2 11 GLY N 2 119 ASN O 2.850 2.700 3.000 16.963 16.146 17.288 14.288 6 15 [*****+********-] 3
58 2 11 GLY O 2 119 ASN H 1.900 . 2.000 18.110 17.895 18.659 16.659 11 15 [*****-****+****] 3
59 2 11 GLY O 2 119 ASN N 2.850 2.700 3.000 18.155 17.965 18.702 15.702 11 15 [*****-****+****] 3
60 2 12 LYS H 2 16 ASP O 1.900 . 2.000 17.277 17.051 17.582 15.582 15 15 [****-*********+] 3
61 2 12 LYS N 2 16 ASP O 2.850 2.700 3.000 17.046 16.896 17.223 14.223 13 15 [****-*******+**] 3
62 2 17 LEU H 2 34 GLY O 1.900 . 2.000 18.105 17.778 18.249 16.249 14 15 [********-****+*] 3
63 2 17 LEU N 2 34 GLY O 2.850 2.700 3.000 18.746 18.387 18.887 15.887 3 15 [**+*****-******] 3
64 2 17 LEU O 2 34 GLY H 1.900 . 2.000 20.070 19.857 20.432 18.432 13 15 [********-***+**] 3
65 2 17 LEU O 2 34 GLY N 2.850 2.700 3.000 19.996 19.802 20.240 17.240 13 15 [********-***+**] 3
66 2 19 SER H 2 32 PHE O 1.900 . 2.000 19.645 18.896 19.936 17.936 6 15 [*****+****-****] 3
67 2 19 SER N 2 32 PHE O 2.850 2.700 3.000 19.472 18.772 19.724 16.724 6 15 [*****+****-****] 3
68 2 19 SER O 2 32 PHE H 1.900 . 2.000 19.096 18.691 19.460 17.460 5 15 [****+*****-****] 3
69 2 19 SER O 2 32 PHE N 2.850 2.700 3.000 19.117 18.714 19.490 16.490 5 15 [****+*****-****] 3
70 2 99 LEU H 2 110 ASP O 1.900 . 2.000 13.741 13.508 13.929 11.929 3 15 [**+*-**********] 3
71 2 99 LEU N 2 110 ASP O 2.850 2.700 3.000 13.208 12.975 13.404 10.404 3 15 [**+*-**********] 3
72 2 107 ILE O 2 110 ASP H 1.900 . 2.000 2.532 2.284 3.111 1.111 13 8 "[ -** * * +**]" 3
73 2 107 ILE O 2 110 ASP N 2.850 2.700 3.000 3.541 3.301 4.092 1.092 13 8 "[ -** * * +**]" 3
74 2 68 THR H 2 73 PHE O 1.900 . 2.000 18.963 18.694 19.210 17.210 15 15 [********-*****+] 3
75 2 68 THR N 2 73 PHE O 2.850 2.700 3.000 18.520 18.271 18.789 15.789 15 15 [********-*****+] 3
76 2 93 VAL H 2 116 VAL O 1.900 . 2.000 21.756 21.498 21.888 19.888 10 15 [*********+*-***] 3
77 2 93 VAL N 2 116 VAL O 2.850 2.700 3.000 21.557 21.327 21.705 18.705 6 15 [*****+*****-***] 3
78 2 33 THR O 2 47 ILE H 1.900 . 2.000 21.377 20.775 21.752 19.752 12 15 [-**********+***] 3
79 2 33 THR O 2 47 ILE N 2.850 2.700 3.000 20.635 20.022 21.014 18.014 12 15 [-**********+***] 3
80 2 27 ASN O 2 53 LEU H 1.900 . 2.000 14.130 13.777 14.404 12.404 7 15 [-*****+********] 3
81 2 27 ASN O 2 53 LEU N 2.850 2.700 3.000 13.545 13.163 13.835 10.835 7 15 [-*****+********] 3
82 2 95 LYS QE 2 115 ARG O 1.900 . 2.000 16.898 16.455 17.156 15.156 8 15 [*******+*****-*] 3
83 2 62 GLN H 2 79 VAL O 1.900 . 2.000 20.792 20.669 20.955 18.955 11 15 [**-*******+****] 3
84 2 62 GLN N 2 79 VAL O 2.850 2.700 3.000 20.453 20.296 20.660 17.660 11 15 [**-*******+****] 3
85 2 62 GLN O 2 79 VAL H 1.900 . 2.000 20.099 19.841 20.276 18.276 14 15 [*********-***+*] 3
86 2 62 GLN O 2 79 VAL N 2.850 2.700 3.000 19.828 19.624 19.981 16.981 14 15 [*******-*****+*] 3
87 2 64 THR H 2 77 THR O 1.900 . 2.000 21.446 21.289 21.645 19.645 2 15 [*+*****-*******] 3
88 2 64 THR N 2 77 THR O 2.850 2.700 3.000 20.992 20.827 21.150 18.150 2 15 [*+*****-*******] 3
89 2 64 THR O 2 77 THR H 1.900 . 2.000 21.681 21.532 21.832 19.832 12 15 [***********+*-*] 3
90 2 64 THR O 2 77 THR N 2.850 2.700 3.000 21.365 21.212 21.528 18.528 11 15 [**********+**-*] 3
91 2 78 THR H 2 94 LEU O 1.900 . 2.000 17.387 16.981 17.717 15.717 6 15 [*****+*-*******] 3
92 2 78 THR N 2 94 LEU O 2.850 2.700 3.000 17.392 16.991 17.704 14.704 6 15 [*****+*-*******] 3
93 2 78 THR O 2 94 LEU H 1.900 . 2.000 17.028 16.654 17.893 15.893 10 15 [*********+****-] 3
94 2 78 THR O 2 94 LEU N 2.850 2.700 3.000 17.056 16.709 17.887 14.887 10 15 [*********+****-] 3
95 2 95 LYS H 2 114 THR O 1.900 . 2.000 22.048 21.835 22.273 20.273 1 15 [+-*************] 3
96 2 95 LYS N 2 114 THR O 2.850 2.700 3.000 21.755 21.535 21.941 18.941 1 15 [+-*************] 3
97 2 95 LYS O 2 114 THR H 1.900 . 2.000 21.784 21.550 21.993 19.993 3 15 [*-+************] 3
98 2 95 LYS O 2 114 THR N 2.850 2.700 3.000 21.222 20.991 21.432 18.432 3 15 [*-+************] 3
99 2 97 MET H 2 112 LYS O 1.900 . 2.000 18.644 18.382 18.909 16.909 3 15 [**+-***********] 3
100 2 97 MET N 2 112 LYS O 2.850 2.700 3.000 18.371 18.108 18.624 15.624 3 15 [**+-***********] 3
101 2 97 MET O 2 112 LYS H 1.900 . 2.000 19.828 19.530 20.094 18.094 3 15 [**+-***********] 3
102 2 97 MET O 2 112 LYS N 2.850 2.700 3.000 19.035 18.772 19.297 16.297 3 15 [**+-***********] 3
103 3 48 THR O 3 67 PHE H 1.900 . 2.000 16.506 16.173 16.834 14.834 7 15 [******+*-******] 3
104 3 48 THR O 3 67 PHE N 2.850 2.700 3.000 16.676 16.343 17.026 14.026 7 15 [******+*-******] 3
105 3 60 ALA O 3 81 THR H 1.900 . 2.000 17.661 17.161 18.011 16.011 4 15 [***+*******-***] 3
106 3 60 ALA O 3 81 THR N 2.850 2.700 3.000 17.076 16.576 17.412 14.412 4 15 [***+*******-***] 3
107 3 11 GLY H 3 119 ASN O 1.900 . 2.000 16.846 16.030 17.204 15.204 4 15 [***+**********-] 3
108 3 11 GLY N 3 119 ASN O 2.850 2.700 3.000 16.953 16.145 17.262 14.262 4 15 [***+**********-] 3
109 3 11 GLY O 3 119 ASN H 1.900 . 2.000 18.138 17.841 18.737 16.737 11 15 [****-*****+****] 3
110 3 11 GLY O 3 119 ASN N 2.850 2.700 3.000 18.181 17.903 18.774 15.774 11 15 [****-*****+****] 3
111 3 12 LYS H 3 16 ASP O 1.900 . 2.000 17.283 17.063 17.561 15.561 10 15 [******-**+*****] 3
112 3 12 LYS N 3 16 ASP O 2.850 2.700 3.000 17.058 16.930 17.265 14.265 13 15 [******-*****+**] 3
113 3 17 LEU H 3 34 GLY O 1.900 . 2.000 18.101 17.764 18.244 16.244 15 15 [********-*****+] 3
114 3 17 LEU N 3 34 GLY O 2.850 2.700 3.000 18.742 18.375 18.871 15.871 3 15 [**+*****-******] 3
115 3 17 LEU O 3 34 GLY H 1.900 . 2.000 20.047 19.788 20.385 18.385 13 15 [********-***+**] 3
116 3 17 LEU O 3 34 GLY N 2.850 2.700 3.000 19.964 19.733 20.189 17.189 13 15 [********-***+**] 3
117 3 19 SER H 3 32 PHE O 1.900 . 2.000 19.278 18.682 19.826 17.826 6 15 [*****+****-****] 3
118 3 19 SER N 3 32 PHE O 2.850 2.700 3.000 19.105 18.533 19.603 16.603 6 15 [*****+********-] 3
119 3 19 SER O 3 32 PHE H 1.900 . 2.000 19.104 18.614 19.529 17.529 4 15 [***+******-****] 3
120 3 19 SER O 3 32 PHE N 2.850 2.700 3.000 19.146 18.655 19.571 16.571 5 15 [****+*****-****] 3
121 3 99 LEU H 3 110 ASP O 1.900 . 2.000 13.749 13.527 13.942 11.942 3 15 [**+*-**********] 3
122 3 99 LEU N 3 110 ASP O 2.850 2.700 3.000 13.215 12.995 13.420 10.420 3 15 [**+*-**********] 3
123 3 107 ILE O 3 110 ASP H 1.900 . 2.000 2.528 2.247 3.062 1.062 13 8 "[ *** * - +**]" 3
124 3 107 ILE O 3 110 ASP N 2.850 2.700 3.000 3.537 3.264 4.047 1.047 13 8 "[ *** * - +**]" 3
125 3 68 THR H 3 73 PHE O 1.900 . 2.000 18.955 18.705 19.211 17.211 15 15 [********-*****+] 3
126 3 68 THR N 3 73 PHE O 2.850 2.700 3.000 18.512 18.283 18.791 15.791 15 15 [********-*****+] 3
127 3 93 VAL H 3 116 VAL O 1.900 . 2.000 21.760 21.515 21.921 19.921 1 15 [+**********-***] 3
128 3 93 VAL N 3 116 VAL O 2.850 2.700 3.000 21.562 21.340 21.741 18.741 1 15 [+**********-***] 3
129 3 33 THR O 3 47 ILE H 1.900 . 2.000 21.438 20.810 21.823 19.823 12 15 [-**********+***] 3
130 3 33 THR O 3 47 ILE N 2.850 2.700 3.000 20.696 20.049 21.100 18.100 5 15 [****+***-******] 3
131 3 27 ASN O 3 53 LEU H 1.900 . 2.000 14.154 13.881 14.360 12.360 7 15 [-*****+********] 3
132 3 27 ASN O 3 53 LEU N 2.850 2.700 3.000 13.544 13.223 13.825 10.825 5 15 [-***+**********] 3
133 3 95 LYS QE 3 115 ARG O 1.900 . 2.000 16.898 16.440 17.158 15.158 8 15 [*******+*****-*] 3
134 3 62 GLN H 3 79 VAL O 1.900 . 2.000 20.781 20.679 20.893 18.893 11 15 [**********+-***] 3
135 3 62 GLN N 3 79 VAL O 2.850 2.700 3.000 20.447 20.323 20.605 17.605 11 15 [**********+-***] 3
136 3 62 GLN O 3 79 VAL H 1.900 . 2.000 20.098 19.870 20.269 18.269 3 15 [**+******-*****] 3
137 3 62 GLN O 3 79 VAL N 2.850 2.700 3.000 19.829 19.695 19.967 16.967 3 15 [**+****-*******] 3
138 3 64 THR H 3 77 THR O 1.900 . 2.000 21.454 21.289 21.638 19.638 2 15 [*+*****-*******] 3
139 3 64 THR N 3 77 THR O 2.850 2.700 3.000 21.000 20.835 21.141 18.141 2 15 [*+*****-*******] 3
140 3 64 THR O 3 77 THR H 1.900 . 2.000 21.682 21.515 21.833 19.833 11 15 [**********+**-*] 3
141 3 64 THR O 3 77 THR N 2.850 2.700 3.000 21.365 21.198 21.537 18.537 11 15 [**********+**-*] 3
142 3 78 THR H 3 94 LEU O 1.900 . 2.000 17.337 16.621 17.745 15.745 6 15 [*****+**-******] 3
143 3 78 THR N 3 94 LEU O 2.850 2.700 3.000 17.348 16.644 17.739 14.739 6 15 [*****+**-******] 3
144 3 78 THR O 3 94 LEU H 1.900 . 2.000 17.039 16.691 17.885 15.885 10 15 [*********+****-] 3
145 3 78 THR O 3 94 LEU N 2.850 2.700 3.000 17.066 16.739 17.879 14.879 10 15 [*********+****-] 3
146 3 95 LYS H 3 114 THR O 1.900 . 2.000 22.097 21.856 22.722 20.722 9 15 [*-******+******] 3
147 3 95 LYS N 3 114 THR O 2.850 2.700 3.000 21.761 21.553 21.977 18.977 1 15 [+-*************] 3
148 3 95 LYS O 3 114 THR H 1.900 . 2.000 21.787 21.559 22.004 20.004 3 15 [*-+************] 3
149 3 95 LYS O 3 114 THR N 2.850 2.700 3.000 21.226 21.002 21.439 18.439 3 15 [*-+************] 3
150 3 97 MET H 3 112 LYS O 1.900 . 2.000 18.639 18.376 18.912 16.912 3 15 [**+-***********] 3
151 3 97 MET N 3 112 LYS O 2.850 2.700 3.000 18.364 18.095 18.631 15.631 3 15 [**+-***********] 3
152 3 97 MET O 3 112 LYS H 1.900 . 2.000 19.831 19.536 20.106 18.106 3 15 [**+-***********] 3
153 3 97 MET O 3 112 LYS N 2.850 2.700 3.000 19.038 18.778 19.304 16.304 3 15 [**+-***********] 3
154 4 48 THR O 4 67 PHE H 1.900 . 2.000 16.517 16.181 16.837 14.837 7 15 [******+*-******] 3
155 4 48 THR O 4 67 PHE N 2.850 2.700 3.000 16.683 16.349 17.020 14.020 7 15 [******+*-******] 3
156 4 60 ALA O 4 81 THR H 1.900 . 2.000 17.647 17.204 18.003 16.003 4 15 [***+*******-***] 3
157 4 60 ALA O 4 81 THR N 2.850 2.700 3.000 17.069 16.630 17.411 14.411 4 15 [***+*******-***] 3
158 4 11 GLY H 4 119 ASN O 1.900 . 2.000 16.828 15.964 17.145 15.145 4 15 [***+**********-] 3
159 4 11 GLY N 4 119 ASN O 2.850 2.700 3.000 16.941 16.139 17.275 14.275 6 15 [*****+********-] 3
160 4 11 GLY O 4 119 ASN H 1.900 . 2.000 18.120 17.880 18.758 16.758 15 15 [************-*+] 3
161 4 11 GLY O 4 119 ASN N 2.850 2.700 3.000 18.167 17.948 18.720 15.720 15 15 [****-*********+] 3
162 4 12 LYS H 4 16 ASP O 1.900 . 2.000 17.279 17.097 17.574 15.574 10 15 [******-**+*****] 3
163 4 12 LYS N 4 16 ASP O 2.850 2.700 3.000 17.050 16.925 17.250 14.250 13 15 [****-*******+**] 3
164 4 17 LEU H 4 34 GLY O 1.900 . 2.000 18.106 17.789 18.255 16.255 3 15 [**+*****-******] 3
165 4 17 LEU N 4 34 GLY O 2.850 2.700 3.000 18.746 18.387 18.908 15.908 3 15 [**+*****-******] 3
166 4 17 LEU O 4 34 GLY H 1.900 . 2.000 20.078 19.817 20.447 18.447 13 15 [********-***+**] 3
167 4 17 LEU O 4 34 GLY N 2.850 2.700 3.000 20.001 19.762 20.252 17.252 13 15 [********-***+**] 3
168 4 19 SER H 4 32 PHE O 1.900 . 2.000 19.637 18.899 19.922 17.922 6 15 [*****+****-****] 3
169 4 19 SER N 4 32 PHE O 2.850 2.700 3.000 19.464 18.772 19.711 16.711 5 15 [****+*****-****] 3
170 4 19 SER O 4 32 PHE H 1.900 . 2.000 19.084 18.656 19.471 17.471 5 15 [****+*****-****] 3
171 4 19 SER O 4 32 PHE N 2.850 2.700 3.000 19.112 18.696 19.503 16.503 5 15 [****+*****-****] 3
172 4 99 LEU H 4 110 ASP O 1.900 . 2.000 13.751 13.532 13.935 11.935 6 15 [****-+*********] 3
173 4 99 LEU N 4 110 ASP O 2.850 2.700 3.000 13.218 13.001 13.407 10.407 3 15 [**+*-**********] 3
174 4 107 ILE O 4 110 ASP H 1.900 . 2.000 2.544 2.269 3.082 1.082 13 7 "[ *** * 1 +-*]" 3
175 4 107 ILE O 4 110 ASP N 2.850 2.700 3.000 3.553 3.285 4.067 1.067 13 7 "[ *** * 1 +-*]" 3
176 4 68 THR H 4 73 PHE O 1.900 . 2.000 18.961 18.708 19.216 17.216 15 15 [********-*****+] 3
177 4 68 THR N 4 73 PHE O 2.850 2.700 3.000 18.518 18.282 18.798 15.798 15 15 [********-*****+] 3
178 4 93 VAL H 4 116 VAL O 1.900 . 2.000 21.770 21.525 21.893 19.893 1 15 [+**********-***] 3
179 4 93 VAL N 4 116 VAL O 2.850 2.700 3.000 21.577 21.355 21.741 18.741 1 15 [+**********-***] 3
180 4 33 THR O 4 47 ILE H 1.900 . 2.000 21.381 20.793 21.755 19.755 12 15 [-**********+***] 3
181 4 33 THR O 4 47 ILE N 2.850 2.700 3.000 20.638 20.035 21.015 18.015 12 15 [-**********+***] 3
182 4 27 ASN O 4 53 LEU H 1.900 . 2.000 14.128 13.779 14.393 12.393 7 15 [-*****+********] 3
183 4 27 ASN O 4 53 LEU N 2.850 2.700 3.000 13.544 13.163 13.823 10.823 7 15 [-*****+********] 3
184 4 95 LYS QE 4 115 ARG O 1.900 . 2.000 16.901 16.479 17.181 15.181 4 15 [***+*********-*] 3
185 4 62 GLN H 4 79 VAL O 1.900 . 2.000 20.790 20.656 20.940 18.940 11 15 [**-*******+****] 3
186 4 62 GLN N 4 79 VAL O 2.850 2.700 3.000 20.452 20.288 20.659 17.659 11 15 [**-*******+****] 3
187 4 62 GLN O 4 79 VAL H 1.900 . 2.000 20.092 19.853 20.307 18.307 14 15 [*********-***+*] 3
188 4 62 GLN O 4 79 VAL N 2.850 2.700 3.000 19.824 19.670 20.011 17.011 14 15 [****-********+*] 3
189 4 64 THR H 4 77 THR O 1.900 . 2.000 21.453 21.290 21.644 19.644 2 15 [*+*****-*******] 3
190 4 64 THR N 4 77 THR O 2.850 2.700 3.000 20.997 20.827 21.149 18.149 2 15 [*+*****-*******] 3
191 4 64 THR O 4 77 THR H 1.900 . 2.000 21.686 21.547 21.823 19.823 12 15 [***********+*-*] 3
192 4 64 THR O 4 77 THR N 2.850 2.700 3.000 21.370 21.218 21.521 18.521 11 15 [-*********+****] 3
193 4 78 THR H 4 94 LEU O 1.900 . 2.000 17.360 16.627 17.688 15.688 14 15 [********-****+*] 3
194 4 78 THR N 4 94 LEU O 2.850 2.700 3.000 17.364 16.641 17.694 14.694 14 15 [********-****+*] 3
195 4 78 THR O 4 94 LEU H 1.900 . 2.000 17.053 16.707 17.903 15.903 10 15 [*********+****-] 3
196 4 78 THR O 4 94 LEU N 2.850 2.700 3.000 17.076 16.748 17.894 14.894 10 15 [*********+****-] 3
197 4 95 LYS H 4 114 THR O 1.900 . 2.000 22.091 21.850 22.717 20.717 9 15 [*-******+******] 3
198 4 95 LYS N 4 114 THR O 2.850 2.700 3.000 21.760 21.551 21.951 18.951 1 15 [+-*************] 3
199 4 95 LYS O 4 114 THR H 1.900 . 2.000 21.777 21.548 21.993 19.993 3 15 [*-+************] 3
200 4 95 LYS O 4 114 THR N 2.850 2.700 3.000 21.218 20.995 21.433 18.433 3 15 [*-+************] 3
201 4 97 MET H 4 112 LYS O 1.900 . 2.000 18.634 18.380 18.911 16.911 3 15 [**+-***********] 3
202 4 97 MET N 4 112 LYS O 2.850 2.700 3.000 18.366 18.108 18.634 15.634 3 15 [**+-***********] 3
203 4 97 MET O 4 112 LYS H 1.900 . 2.000 19.832 19.529 20.110 18.110 3 15 [**+-***********] 3
204 4 97 MET O 4 112 LYS N 2.850 2.700 3.000 19.039 18.769 19.312 16.312 3 15 [**+-***********] 3
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