NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484535 |
2ifs   |
15020 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ifs
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 647
_Distance_constraint_stats_list.Viol_count 5123
_Distance_constraint_stats_list.Viol_total 808414.375
_Distance_constraint_stats_list.Viol_max 43.584
_Distance_constraint_stats_list.Viol_rms 6.7111
_Distance_constraint_stats_list.Viol_average_all_restraints 3.1237
_Distance_constraint_stats_list.Viol_average_violations_only 7.8900
_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 6 PHE 865.564 17.215 9 20 [-*******+***********]
1 7 TYR 415.365 22.192 9 20 [*******-+***********]
1 8 PHE 1665.966 25.549 16 20 [-**************+****]
1 9 HIS 2.982 0.282 18 0 "[ . 1 . 2]"
1 10 PRO 0.429 0.282 18 0 "[ . 1 . 2]"
1 11 ILE 1304.533 38.073 8 20 [***-***+************]
1 12 SER 5.090 0.160 18 0 "[ . 1 . 2]"
1 13 ASP 0.429 0.077 14 0 "[ . 1 . 2]"
1 14 LEU 2292.413 18.714 3 20 [**+********-********]
1 15 PRO 998.846 15.056 8 20 [****-**+************]
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 4270.388 39.587 3 20 [**+*****-***********]
1 18 GLU 617.007 41.047 5 20 [***-+***************]
1 19 PRO 0.007 0.007 10 0 "[ . 1 . 2]"
1 20 TYR 3761.570 20.100 4 20 [***+***********-****]
1 21 VAL 1.322 0.227 18 0 "[ . 1 . 2]"
1 22 GLN 153.965 10.178 3 20 [**+**********-******]
1 23 THR 0.864 0.123 18 0 "[ . 1 . 2]"
1 24 THR 0.797 0.081 5 0 "[ . 1 . 2]"
1 25 LYS 0.432 0.068 15 0 "[ . 1 . 2]"
1 26 SER 1276.311 14.879 17 20 [**************-*+***]
1 27 TYR 899.476 14.220 2 20 [*+**********-*******]
1 28 PRO 685.768 17.349 5 20 [****+*****-*********]
1 29 SER 300.823 15.830 15 20 [***-**********+*****]
1 30 LYS 0.350 0.075 19 0 "[ . 1 . 2]"
1 31 LEU 2.300 0.181 1 0 "[ . 1 . 2]"
1 32 ALA 290.385 15.817 5 20 [**-*+***************]
1 33 ARG 1.494 0.181 1 0 "[ . 1 . 2]"
1 68 TYR 1030.133 37.523 5 20 [****+****-**********]
1 69 ALA 869.678 40.561 15 20 [**************+****-]
1 70 ALA 2131.680 43.584 15 20 [**************+**-**]
1 71 ASP 291.629 12.523 2 20 [*+***************-**]
1 72 ARG 14.694 2.009 16 10 "[ - ** * 1 ****+ *2]"
1 73 ASN 616.978 41.047 5 20 [***-+***************]
1 74 CYS 22.666 2.009 16 15 "[** ** * ******-+ **]"
1 75 MET 1387.385 39.587 3 20 [**+***************-*]
1 76 TRP 2540.668 38.073 8 20 [*******+**********-*]
1 77 SER 958.406 34.548 3 20 [**+****************-]
1 78 LYS 247.629 19.838 2 20 [*+*****-************]
1 79 LYS 18.250 1.076 14 15 "[* ***** *1***+* * *-]"
1 80 CYS 551.964 28.158 5 20 [****+**************-]
1 81 SER 1461.680 33.290 3 20 [**+**************-**]
1 82 GLY 0.081 0.081 5 0 "[ . 1 . 2]"
1 83 VAL 1079.381 32.142 3 20 [**+******-**********]
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 CYS 2480.323 28.810 8 20 [*******+**********-*]
1 86 LEU 1286.176 22.953 15 20 [**************+-****]
1 87 VAL 935.388 20.214 13 20 [********-***+*******]
1 88 LYS 666.620 17.219 20 20 [******-************+]
1 89 ASP 812.317 15.143 20 20 [*-*****************+]
1 90 ASN 275.208 7.086 14 20 [********-****+******]
1 91 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 165.423 2.820 13 20 [*********-**+*******]
1 93 ARG 561.010 15.817 5 20 [****+****-**********]
1 94 SER 946.146 17.349 5 20 [****+***-***********]
1 95 TYR 662.705 17.219 20 20 [****************-**+]
1 96 PHE 1058.194 20.214 13 20 [**-*********+*******]
1 97 LEU 1625.395 21.934 15 20 [***-**********+*****]
1 98 ARG 1526.725 27.762 20 20 [**************-****+]
1 99 ILE 1144.746 28.599 8 20 [***-***+************]
1 100 PHE 1833.127 32.142 3 20 [**+*****************]
1 101 ASP 44.348 1.667 18 19 "[***** **********-+**]"
1 102 ILE 579.918 33.290 3 20 [**+******-**********]
1 103 LYS 9.882 0.702 20 8 "[ * . * * * ***+]"
1 104 ASP 6.921 0.702 20 8 "[ * . * * - ***+]"
1 105 GLY 2.358 0.503 20 1 "[ . 1 . +]"
1 106 LYS 11.482 1.404 18 11 "[** ** * ** -+**]"
1 107 LEU 148.070 2.955 12 20 [***-*******+********]
1 108 LEU 629.324 28.158 5 20 [****+*******-*******]
1 109 TRP 505.239 7.715 9 20 [-*******+***********]
1 110 GLU 186.689 4.435 18 20 [**************-**+**]
1 111 GLN 485.619 12.691 2 20 [*+*-****************]
1 112 GLU 493.630 14.220 2 20 [*+**********-*******]
1 113 LEU 105.183 3.520 2 20 [*+-*****************]
1 114 TYR 443.161 14.879 17 20 [************-***+***]
1 115 ASN 1370.956 14.236 8 20 [*******+**-*********]
1 116 ASN 152.621 10.178 3 20 [**+**********-******]
1 117 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASN 338.221 9.490 10 20 [*********+***-******]
1 121 SER 676.708 13.964 16 20 [**-************+****]
1 122 PRO 94.431 6.212 13 20 [**-*********+*******]
1 123 ARG 830.867 9.170 4 20 [***+**-*************]
1 125 TYR 1178.715 18.714 3 20 [**+***************-*]
1 126 PHE 3623.334 18.542 4 20 [**-+****************]
1 127 HIS 1165.631 13.316 18 20 [******-**********+**]
1 128 THR 1044.290 13.964 16 20 [*********-*****+****]
1 129 PHE 143.892 6.626 5 20 [****+*-*************]
1 130 ALA 537.090 14.298 13 20 [************+**-****]
1 131 GLY 568.684 15.655 3 20 [**+*****************]
1 132 ASP 0.203 0.114 4 0 "[ . 1 . 2]"
1 133 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 CYS 1418.679 20.100 4 20 [**-+****************]
1 135 GLN 660.967 18.371 12 20 [***********+***-****]
1 136 VAL 1494.005 43.584 15 20 [**************+*-***]
1 137 ALA 1404.013 40.561 15 20 [*****-********+*****]
1 138 LEU 1994.766 22.455 5 20 [****+*-*************]
1 139 ASN 625.994 7.721 11 20 [**-*******+*********]
1 140 PHE 348.606 6.213 5 20 [****+***-***********]
1 141 ALA 1320.942 22.192 9 20 [********+********-**]
1 142 ASN 675.610 15.541 9 20 [********+***********]
1 143 GLU 156.906 4.719 14 20 [*************+-*****]
1 144 GLU 113.954 3.102 5 20 [****+**********-****]
1 145 GLU 357.056 7.615 5 20 [**-*+***************]
1 146 ALA 737.342 7.952 7 20 [**-***+*************]
1 147 LYS 405.777 5.051 2 20 [*+*************-****]
1 148 LYS 358.700 5.881 12 20 [*-*********+********]
1 149 PHE 1447.293 15.005 18 20 [**********-******+**]
1 150 ARG 762.335 7.952 7 20 [******+***-*********]
1 151 LYS 297.721 5.881 12 20 [**********-+********]
1 152 ALA 245.326 6.489 7 20 [******+**-**********]
1 153 VAL 315.371 6.472 11 20 [**********+-********]
1 154 THR 182.075 7.586 7 20 [******+-************]
1 155 ASP 445.480 6.489 7 20 [******+**********-**]
1 156 LEU 233.045 5.191 10 20 [*********+*******-**]
1 157 LEU 145.175 4.254 18 20 [*****************+**]
1 158 GLY 171.360 5.900 17 20 [*-**************+***]
1 159 ARG 102.726 5.191 10 20 [*****-***+**********]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 PHE H 1 7 TYR H . . 4.630 4.366 4.102 4.588 . 0 0 "[ . 1 . 2]" 1
2 1 6 PHE QB 1 141 ALA HA . . 6.880 22.423 21.120 24.095 17.215 9 20 [********+-**********] 1
3 1 6 PHE QD 1 7 TYR H . . 8.050 4.158 3.655 4.523 . 0 0 "[ . 1 . 2]" 1
4 1 6 PHE QD 1 142 ASN QB . . 9.000 22.774 21.763 24.264 15.264 9 20 [*****-**+***********] 1
5 1 6 PHE QE 1 142 ASN QB . . 9.000 22.961 21.098 24.541 15.541 9 20 [-*******+***********] 1
6 1 7 TYR H 1 8 PHE H . . 4.810 4.233 3.989 4.396 . 0 0 "[ . 1 . 2]" 1
7 1 7 TYR H 1 141 ALA HA . . 4.600 25.286 23.578 26.792 22.192 9 20 [*******-+***********] 1
8 1 7 TYR HA 1 8 PHE H . . 3.230 2.045 1.906 2.189 . 0 0 "[ . 1 . 2]" 1
9 1 7 TYR QB 1 8 PHE H . . 3.910 3.113 2.450 3.774 . 0 0 "[ . 1 . 2]" 1
10 1 7 TYR HB2 1 8 PHE H . . 4.200 4.073 2.950 4.276 0.076 11 0 "[ . 1 . 2]" 1
11 1 7 TYR HB3 1 8 PHE H . . 4.200 3.321 2.481 4.223 0.023 6 0 "[ . 1 . 2]" 1
12 1 7 TYR QD 1 8 PHE H . . 7.200 3.365 2.707 4.103 . 0 0 "[ . 1 . 2]" 1
13 1 7 TYR QD 1 9 HIS HD2 . . 7.640 3.704 2.396 4.806 . 0 0 "[ . 1 . 2]" 1
14 1 7 TYR QD 1 9 HIS HE1 . . 7.850 6.210 3.755 7.914 0.064 11 0 "[ . 1 . 2]" 1
15 1 7 TYR QE 1 8 PHE H . . 8.130 5.228 4.473 6.291 . 0 0 "[ . 1 . 2]" 1
16 1 7 TYR QE 1 9 HIS HA . . 6.940 6.615 5.426 7.048 0.108 1 0 "[ . 1 . 2]" 1
17 1 7 TYR QE 1 9 HIS HD2 . . 7.230 3.876 2.836 6.146 . 0 0 "[ . 1 . 2]" 1
18 1 7 TYR QE 1 9 HIS HE1 . . 7.270 6.299 3.142 7.369 0.099 18 0 "[ . 1 . 2]" 1
19 1 8 PHE H 1 8 PHE HB2 . . 3.800 2.610 2.392 2.844 . 0 0 "[ . 1 . 2]" 1
20 1 8 PHE H 1 8 PHE HB3 . . 3.800 3.730 3.588 3.846 0.046 3 0 "[ . 1 . 2]" 1
21 1 8 PHE H 1 9 HIS H . . 5.060 2.002 1.769 2.518 . 0 0 "[ . 1 . 2]" 1
22 1 8 PHE HA 1 8 PHE QE . . 5.710 4.695 4.592 4.828 . 0 0 "[ . 1 . 2]" 1
23 1 8 PHE QB 1 14 LEU QD . . 6.040 4.275 3.790 4.701 . 0 0 "[ . 1 . 2]" 1
24 1 8 PHE HB2 1 9 HIS H . . 5.750 2.428 1.991 3.227 . 0 0 "[ . 1 . 2]" 1
25 1 8 PHE HB2 1 14 LEU QD . . 7.030 5.328 4.837 5.714 . 0 0 "[ . 1 . 2]" 1
26 1 8 PHE HB3 1 9 HIS H . . 5.750 3.520 2.922 4.167 . 0 0 "[ . 1 . 2]" 1
27 1 8 PHE HB3 1 14 LEU QD . . 7.030 4.506 3.932 5.001 . 0 0 "[ . 1 . 2]" 1
28 1 8 PHE QD 1 9 HIS H . . 8.120 3.853 3.575 4.235 . 0 0 "[ . 1 . 2]" 1
29 1 8 PHE QD 1 81 SER QB . . 9.000 31.572 27.350 34.549 25.549 16 20 [***************+*-**] 1
30 1 8 PHE QD 1 141 ALA H . . 8.120 17.125 16.163 17.997 9.877 19 20 [*****************-+*] 1
31 1 8 PHE QD 1 141 ALA HA . . 8.120 18.698 17.821 19.686 11.566 9 20 [-*******+***********] 1
32 1 8 PHE QE 1 81 SER QB . . 9.000 30.512 26.434 33.829 24.829 16 20 [***************+*-**] 1
33 1 8 PHE QE 1 139 ASN H . . 8.120 14.708 14.116 15.841 7.721 11 20 [-*********+*********] 1
34 1 8 PHE QE 1 139 ASN QB . . 9.000 11.779 11.243 12.881 3.881 11 20 [-*********+*********] 1
35 1 8 PHE QE 1 141 ALA HA . . 8.120 18.355 17.336 19.251 11.131 16 20 [-**************+****] 1
36 1 9 HIS H 1 9 HIS HD2 . . 3.700 3.677 2.102 3.980 0.280 10 0 "[ . 1 . 2]" 1
37 1 9 HIS H 1 14 LEU QD . . 8.600 4.990 4.552 5.460 . 0 0 "[ . 1 . 2]" 1
38 1 9 HIS HB2 1 14 LEU QD . . 7.030 5.409 4.655 6.011 . 0 0 "[ . 1 . 2]" 1
39 1 9 HIS HB3 1 14 LEU QD . . 7.030 5.432 4.568 5.904 . 0 0 "[ . 1 . 2]" 1
40 1 9 HIS HD2 1 10 PRO HA . . 4.200 4.079 3.615 4.482 0.282 18 0 "[ . 1 . 2]" 1
41 1 10 PRO HA 1 12 SER H . . 4.630 3.879 3.546 4.305 . 0 0 "[ . 1 . 2]" 1
42 1 11 ILE H 1 11 ILE HB . . 2.940 2.458 2.308 2.605 . 0 0 "[ . 1 . 2]" 1
43 1 11 ILE H 1 11 ILE MD . . 5.620 4.360 4.062 4.464 . 0 0 "[ . 1 . 2]" 1
44 1 11 ILE H 1 11 ILE HG12 . . 4.700 4.511 4.361 4.705 0.005 11 0 "[ . 1 . 2]" 1
45 1 11 ILE H 1 11 ILE QG . . 4.530 4.022 3.964 4.090 . 0 0 "[ . 1 . 2]" 1
46 1 11 ILE H 1 11 ILE HG13 . . 4.700 4.529 4.400 4.680 . 0 0 "[ . 1 . 2]" 1
47 1 11 ILE H 1 11 ILE MG . . 4.290 2.131 2.008 2.265 . 0 0 "[ . 1 . 2]" 1
48 1 11 ILE H 1 12 SER H . . 3.660 2.499 2.385 2.649 . 0 0 "[ . 1 . 2]" 1
49 1 11 ILE H 1 14 LEU QD . . 7.910 4.042 3.673 4.423 . 0 0 "[ . 1 . 2]" 1
50 1 11 ILE HA 1 11 ILE QG . . 3.810 2.509 2.345 3.021 . 0 0 "[ . 1 . 2]" 1
51 1 11 ILE HA 1 13 ASP H . . 4.130 3.778 3.624 3.980 . 0 0 "[ . 1 . 2]" 1
52 1 11 ILE HA 1 14 LEU H . . 3.950 3.296 3.030 3.486 . 0 0 "[ . 1 . 2]" 1
53 1 11 ILE HA 1 14 LEU HB2 . . 4.490 2.863 2.350 3.260 . 0 0 "[ . 1 . 2]" 1
54 1 11 ILE HA 1 14 LEU QB . . 4.310 2.819 2.332 3.186 . 0 0 "[ . 1 . 2]" 1
55 1 11 ILE HA 1 14 LEU HB3 . . 4.490 4.267 3.905 4.561 0.071 15 0 "[ . 1 . 2]" 1
56 1 11 ILE HA 1 14 LEU QD . . 4.780 2.008 1.806 2.285 . 0 0 "[ . 1 . 2]" 1
57 1 11 ILE HA 1 14 LEU HG . . 4.810 2.858 2.093 4.706 . 0 0 "[ . 1 . 2]" 1
58 1 11 ILE HB 1 12 SER H . . 3.770 3.890 3.847 3.930 0.160 18 0 "[ . 1 . 2]" 1
59 1 11 ILE HB 1 14 LEU QD . . 6.240 3.524 3.218 4.046 . 0 0 "[ . 1 . 2]" 1
60 1 11 ILE MD 1 12 SER H . . 7.030 4.403 3.660 4.857 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE MD 1 14 LEU H . . 7.030 4.852 3.569 5.992 . 0 0 "[ . 1 . 2]" 1
62 1 11 ILE MD 1 14 LEU QD . . 8.800 3.439 1.910 4.738 . 0 0 "[ . 1 . 2]" 1
63 1 11 ILE MD 1 76 TRP H . . 7.030 38.303 32.148 43.868 36.838 3 20 [**+-****************] 1
64 1 11 ILE QG 1 13 ASP H . . 6.020 5.215 4.865 5.722 . 0 0 "[ . 1 . 2]" 1
65 1 11 ILE QG 1 14 LEU H . . 6.880 4.463 4.033 4.893 . 0 0 "[ . 1 . 2]" 1
66 1 11 ILE QG 1 14 LEU QD . . 6.420 2.711 1.965 3.827 . 0 0 "[ . 1 . 2]" 1
67 1 11 ILE HG12 1 12 SER H . . 6.000 4.554 4.028 5.079 . 0 0 "[ . 1 . 2]" 1
68 1 11 ILE HG12 1 14 LEU QD . . 8.760 3.392 2.220 4.558 . 0 0 "[ . 1 . 2]" 1
69 1 11 ILE HG13 1 12 SER H . . 6.000 4.896 3.933 5.368 . 0 0 "[ . 1 . 2]" 1
70 1 11 ILE HG13 1 14 LEU QD . . 8.760 3.297 1.985 4.966 . 0 0 "[ . 1 . 2]" 1
71 1 11 ILE MG 1 12 SER H . . 4.510 2.327 2.238 2.441 . 0 0 "[ . 1 . 2]" 1
72 1 11 ILE MG 1 13 ASP H . . 7.030 4.457 4.324 4.554 . 0 0 "[ . 1 . 2]" 1
73 1 11 ILE MG 1 14 LEU H . . 6.560 4.855 4.683 4.989 . 0 0 "[ . 1 . 2]" 1
74 1 11 ILE MG 1 14 LEU QD . . 9.340 4.187 3.926 4.536 . 0 0 "[ . 1 . 2]" 1
75 1 11 ILE MG 1 76 TRP H . . 7.030 40.857 34.722 45.103 38.073 8 20 [***-***+************] 1
76 1 12 SER H 1 12 SER HB2 . . 3.550 2.614 2.429 3.559 0.009 14 0 "[ . 1 . 2]" 1
77 1 12 SER H 1 12 SER QB . . 3.350 2.473 2.392 2.622 . 0 0 "[ . 1 . 2]" 1
78 1 12 SER H 1 12 SER HB3 . . 3.550 3.456 2.610 3.597 0.047 18 0 "[ . 1 . 2]" 1
79 1 12 SER H 1 14 LEU H . . 4.310 4.045 3.915 4.214 . 0 0 "[ . 1 . 2]" 1
80 1 12 SER H 1 14 LEU QD . . 8.600 4.534 3.978 4.922 . 0 0 "[ . 1 . 2]" 1
81 1 12 SER HA 1 12 SER HB2 . . 2.830 2.916 2.512 2.966 0.136 13 0 "[ . 1 . 2]" 1
82 1 12 SER HA 1 12 SER HB3 . . 2.830 2.405 2.328 2.462 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER HA 1 14 LEU H . . 4.270 4.047 3.704 4.314 0.044 17 0 "[ . 1 . 2]" 1
84 1 12 SER QB 1 13 ASP H . . 4.040 2.915 2.572 3.611 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER HB2 1 13 ASP H . . 4.200 3.004 2.611 3.910 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER HB3 1 13 ASP H . . 4.200 4.028 3.861 4.243 0.043 14 0 "[ . 1 . 2]" 1
87 1 13 ASP H 1 13 ASP HB2 . . 3.520 2.634 2.276 2.842 . 0 0 "[ . 1 . 2]" 1
88 1 13 ASP H 1 13 ASP QB . . 3.330 2.314 2.226 2.385 . 0 0 "[ . 1 . 2]" 1
89 1 13 ASP H 1 13 ASP HB3 . . 3.520 2.775 2.350 3.597 0.077 14 0 "[ . 1 . 2]" 1
90 1 13 ASP H 1 14 LEU H . . 3.160 2.238 2.021 2.421 . 0 0 "[ . 1 . 2]" 1
91 1 13 ASP H 1 14 LEU QD . . 6.590 3.744 2.938 4.248 . 0 0 "[ . 1 . 2]" 1
92 1 13 ASP HB2 1 14 LEU H . . 4.130 3.906 3.431 4.154 0.024 9 0 "[ . 1 . 2]" 1
93 1 13 ASP HB3 1 14 LEU H . . 4.130 3.247 2.725 4.156 0.026 13 0 "[ . 1 . 2]" 1
94 1 14 LEU H 1 14 LEU HB2 . . 3.840 2.474 2.306 2.572 . 0 0 "[ . 1 . 2]" 1
95 1 14 LEU H 1 14 LEU QB . . 3.590 2.431 2.278 2.516 . 0 0 "[ . 1 . 2]" 1
96 1 14 LEU H 1 14 LEU HB3 . . 3.840 3.589 3.539 3.648 . 0 0 "[ . 1 . 2]" 1
97 1 14 LEU H 1 14 LEU QD . . 5.030 2.759 1.940 3.245 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU H 1 14 LEU HG . . 4.090 2.827 2.065 4.100 0.010 12 0 "[ . 1 . 2]" 1
99 1 14 LEU H 1 15 PRO QD . . 6.880 4.368 4.259 4.442 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU HA 1 15 PRO QG . . 5.230 3.919 3.687 4.119 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU HA 1 125 TYR QE . . 7.700 24.544 22.257 26.414 18.714 3 20 [**+***************-*] 1
102 1 14 LEU HA 1 126 PHE QD . . 8.120 23.647 22.750 24.744 16.624 4 20 [***+-***************] 1
103 1 14 LEU HA 1 126 PHE QE . . 8.120 25.071 22.857 26.662 18.542 4 20 [***+-***************] 1
104 1 14 LEU QB 1 15 PRO QD . . 5.110 2.518 2.097 2.944 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU QB 1 126 PHE QE . . 9.000 21.221 19.203 22.455 13.455 4 20 [***+-***************] 1
106 1 14 LEU HB2 1 15 PRO QD . . 5.390 3.800 3.491 4.066 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU HB3 1 15 PRO QD . . 5.390 2.558 2.113 3.021 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU QD 1 15 PRO QD . . 5.480 2.998 2.498 3.608 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU QD 1 125 TYR QD . . 9.660 16.641 15.553 17.453 7.793 4 20 [***+**************-*] 1
110 1 14 LEU QD 1 125 TYR QE . . 7.960 17.643 16.093 18.440 10.480 4 20 [***+**************-*] 1
111 1 14 LEU QD 1 126 PHE QB . . 9.480 15.724 15.059 16.572 7.092 4 20 [***+*******-********] 1
112 1 14 LEU QD 1 126 PHE QD . . 8.480 16.324 15.476 17.643 9.163 4 20 [***+-***************] 1
113 1 14 LEU QD 1 126 PHE QE . . 7.500 17.389 15.415 19.129 11.629 4 20 [***+-***************] 1
114 1 14 LEU QD 1 126 PHE HZ . . 7.770 20.189 17.382 22.306 14.536 4 20 [***+-***************] 1
115 1 15 PRO HA 1 16 PRO HD2 . . 3.770 2.527 2.095 2.815 . 0 0 "[ . 1 . 2]" 1
116 1 15 PRO HA 1 16 PRO HD3 . . 3.770 2.077 1.900 2.526 . 0 0 "[ . 1 . 2]" 1
117 1 15 PRO QD 1 126 PHE QD . . 9.000 20.283 19.362 21.162 12.162 4 20 [***+-***************] 1
118 1 15 PRO QD 1 126 PHE QE . . 8.120 21.544 19.553 22.833 14.713 4 20 [***+-***************] 1
119 1 15 PRO QG 1 126 PHE QD . . 8.120 20.122 19.069 21.734 13.614 8 20 [*******+***-********] 1
120 1 15 PRO QG 1 126 PHE QE . . 8.120 21.353 19.678 23.176 15.056 8 20 [*******+-***********] 1
121 1 16 PRO HA 1 17 PRO QD . . 3.290 2.065 1.890 2.198 . 0 0 "[ . 1 . 2]" 1
122 1 16 PRO QB 1 17 PRO QD . . 4.410 2.471 2.279 2.717 . 0 0 "[ . 1 . 2]" 1
123 1 16 PRO HB2 1 17 PRO QD . . 4.960 3.090 2.539 3.542 . 0 0 "[ . 1 . 2]" 1
124 1 16 PRO HB3 1 17 PRO QD . . 4.960 2.677 2.347 3.116 . 0 0 "[ . 1 . 2]" 1
125 1 17 PRO HA 1 18 GLU H . . 3.050 2.312 2.081 2.525 . 0 0 "[ . 1 . 2]" 1
126 1 17 PRO QB 1 70 ALA HA . . 6.880 35.730 27.130 44.555 37.675 3 20 [**+*****-***********] 1
127 1 17 PRO HB2 1 18 GLU H . . 3.910 2.722 2.200 3.666 . 0 0 "[ . 1 . 2]" 1
128 1 17 PRO HB3 1 18 GLU H . . 3.910 3.400 2.976 3.927 0.017 17 0 "[ . 1 . 2]" 1
129 1 17 PRO QD 1 76 TRP H . . 6.000 37.993 30.993 43.606 37.606 3 20 [**+-****************] 1
130 1 17 PRO QG 1 70 ALA HA . . 6.880 37.221 28.642 45.979 39.099 3 20 [**+*****-***********] 1
131 1 17 PRO QG 1 75 MET H . . 6.880 37.680 29.819 44.876 37.996 5 20 [***-+***************] 1
132 1 17 PRO QG 1 75 MET HA . . 5.170 37.072 29.251 44.757 39.587 3 20 [**+-****************] 1
133 1 17 PRO QG 1 76 TRP H . . 6.880 36.743 30.048 42.439 35.559 3 20 [**+-****************] 1
134 1 17 PRO QG 1 77 SER H . . 6.880 36.650 30.652 41.428 34.548 3 20 [**+-****************] 1
135 1 18 GLU H 1 18 GLU HB2 . . 3.950 2.976 2.533 3.950 . 0 0 "[ . 1 . 2]" 1
136 1 18 GLU H 1 18 GLU HB3 . . 3.950 3.519 2.492 3.850 . 0 0 "[ . 1 . 2]" 1
137 1 18 GLU H 1 19 PRO HD2 . . 6.000 5.090 4.699 5.256 . 0 0 "[ . 1 . 2]" 1
138 1 18 GLU H 1 19 PRO HD3 . . 6.000 4.615 4.224 4.883 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLU HA 1 19 PRO HD2 . . 3.480 2.755 2.052 3.140 . 0 0 "[ . 1 . 2]" 1
140 1 18 GLU HA 1 19 PRO QD . . 3.280 2.012 1.891 2.183 . 0 0 "[ . 1 . 2]" 1
141 1 18 GLU HA 1 19 PRO HD3 . . 3.480 2.117 1.926 2.581 . 0 0 "[ . 1 . 2]" 1
142 1 18 GLU HA 1 73 ASN QB . . 5.460 36.309 24.448 46.507 41.047 5 20 [***-+***************] 1
143 1 18 GLU QB 1 19 PRO QD . . 5.040 2.535 2.087 3.670 . 0 0 "[ . 1 . 2]" 1
144 1 18 GLU HB2 1 19 PRO HD2 . . 6.130 3.663 2.205 4.498 . 0 0 "[ . 1 . 2]" 1
145 1 18 GLU HB2 1 19 PRO HD3 . . 6.130 4.225 3.003 4.907 . 0 0 "[ . 1 . 2]" 1
146 1 18 GLU HB3 1 19 PRO HD2 . . 6.130 3.051 2.149 4.713 . 0 0 "[ . 1 . 2]" 1
147 1 18 GLU HB3 1 19 PRO HD3 . . 6.130 3.719 2.983 5.024 . 0 0 "[ . 1 . 2]" 1
148 1 18 GLU QG 1 19 PRO HD2 . . 6.880 3.780 1.941 4.449 . 0 0 "[ . 1 . 2]" 1
149 1 18 GLU QG 1 19 PRO HD3 . . 6.880 4.079 3.406 5.129 . 0 0 "[ . 1 . 2]" 1
150 1 19 PRO HA 1 20 TYR H . . 2.940 2.196 2.118 2.322 . 0 0 "[ . 1 . 2]" 1
151 1 19 PRO QB 1 20 TYR H . . 3.800 3.292 2.884 3.464 . 0 0 "[ . 1 . 2]" 1
152 1 19 PRO HB2 1 20 TYR H . . 4.020 3.735 3.009 3.931 . 0 0 "[ . 1 . 2]" 1
153 1 19 PRO HB3 1 20 TYR H . . 4.020 3.692 3.436 4.027 0.007 10 0 "[ . 1 . 2]" 1
154 1 20 TYR H 1 20 TYR HB2 . . 3.700 3.092 2.391 3.704 0.004 2 0 "[ . 1 . 2]" 1
155 1 20 TYR H 1 20 TYR QB . . 3.480 2.529 2.192 2.885 . 0 0 "[ . 1 . 2]" 1
156 1 20 TYR H 1 20 TYR HB3 . . 3.700 2.855 2.416 3.646 . 0 0 "[ . 1 . 2]" 1
157 1 20 TYR H 1 21 VAL H . . 4.600 4.470 4.336 4.609 0.009 15 0 "[ . 1 . 2]" 1
158 1 20 TYR HA 1 21 VAL H . . 3.080 2.154 1.949 2.295 . 0 0 "[ . 1 . 2]" 1
159 1 20 TYR QD 1 21 VAL H . . 6.840 3.879 3.466 4.723 . 0 0 "[ . 1 . 2]" 1
160 1 20 TYR QD 1 22 GLN H . . 6.950 3.669 2.317 5.710 . 0 0 "[ . 1 . 2]" 1
161 1 20 TYR QD 1 22 GLN QG . . 9.020 3.973 2.001 7.025 . 0 0 "[ . 1 . 2]" 1
162 1 20 TYR QD 1 130 ALA HA . . 6.410 19.888 18.682 20.708 14.298 13 20 [************+**-****] 1
163 1 20 TYR QD 1 131 GLY H . . 8.140 21.109 19.665 22.050 13.910 13 20 [************+**-****] 1
164 1 20 TYR QD 1 134 CYS H . . 8.140 24.762 23.083 26.147 18.007 12 20 [***********+***-****] 1
165 1 20 TYR QD 1 134 CYS HA . . 8.140 26.755 24.749 28.114 19.974 12 20 [***********+***-****] 1
166 1 20 TYR QD 1 135 GLN H . . 6.560 24.046 22.383 24.931 18.371 12 20 [***********+***-****] 1
167 1 20 TYR QD 1 136 VAL H . . 8.140 24.077 22.413 24.799 16.659 13 20 [************+**-****] 1
168 1 20 TYR QE 1 21 VAL H . . 8.130 5.635 4.694 6.685 . 0 0 "[ . 1 . 2]" 1
169 1 20 TYR QE 1 22 GLN HA . . 7.340 5.603 3.847 7.351 0.011 13 0 "[ . 1 . 2]" 1
170 1 20 TYR QE 1 22 GLN QG . . 9.010 4.259 2.186 8.230 . 0 0 "[ . 1 . 2]" 1
171 1 20 TYR QE 1 23 THR H . . 8.130 6.205 4.511 8.227 0.097 10 0 "[ . 1 . 2]" 1
172 1 20 TYR QE 1 130 ALA HA . . 5.970 19.347 18.393 20.226 14.256 3 20 [**+************-****] 1
173 1 20 TYR QE 1 131 GLY H . . 6.300 20.623 19.537 21.955 15.655 3 20 [**+************-****] 1
174 1 20 TYR QE 1 134 CYS H . . 8.130 24.382 23.233 25.978 17.848 4 20 [***+***********-****] 1
175 1 20 TYR QE 1 134 CYS HA . . 8.130 26.302 24.820 28.230 20.100 4 20 [***+**********-*****] 1
176 1 20 TYR QE 1 135 GLN H . . 8.130 23.572 22.371 25.163 17.033 4 20 [***+***********-****] 1
177 1 20 TYR QE 1 136 VAL H . . 8.130 23.527 22.373 24.833 16.703 4 20 [***+***********-****] 1
178 1 21 VAL H 1 21 VAL HB . . 3.410 2.932 2.497 3.578 0.168 18 0 "[ . 1 . 2]" 1
179 1 21 VAL H 1 22 GLN H . . 4.340 3.518 2.029 4.407 0.067 15 0 "[ . 1 . 2]" 1
180 1 21 VAL HA 1 22 GLN H . . 3.120 2.470 2.017 3.347 0.227 18 0 "[ . 1 . 2]" 1
181 1 21 VAL HB 1 22 GLN H . . 4.560 4.042 1.872 4.500 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL QG 1 22 GLN H . . 6.860 3.047 1.627 3.748 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL QG 1 22 GLN QG . . 8.820 4.586 3.035 5.616 . 0 0 "[ . 1 . 2]" 1
184 1 22 GLN H 1 22 GLN HB2 . . 3.800 2.847 2.480 3.620 . 0 0 "[ . 1 . 2]" 1
185 1 22 GLN H 1 22 GLN QB . . 3.520 2.504 2.186 2.707 . 0 0 "[ . 1 . 2]" 1
186 1 22 GLN H 1 22 GLN HB3 . . 3.800 3.107 2.336 3.820 0.020 14 0 "[ . 1 . 2]" 1
187 1 22 GLN H 1 23 THR H . . 4.670 4.381 4.118 4.646 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLN HA 1 23 THR H . . 2.870 2.193 1.903 2.334 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLN HB2 1 23 THR H . . 3.950 3.911 3.090 4.067 0.117 18 0 "[ . 1 . 2]" 1
190 1 22 GLN HB3 1 23 THR H . . 3.950 3.416 2.645 4.073 0.123 18 0 "[ . 1 . 2]" 1
191 1 22 GLN QE 1 116 ASN QB . . 6.880 14.511 12.076 17.058 10.178 3 20 [**+**********-******] 1
192 1 22 GLN QG 1 23 THR H . . 6.480 3.409 2.373 4.608 . 0 0 "[ . 1 . 2]" 1
193 1 23 THR HA 1 23 THR HB . . 3.050 2.713 2.408 3.051 0.001 9 0 "[ . 1 . 2]" 1
194 1 24 THR HA 1 24 THR HB . . 2.940 2.802 2.450 3.021 0.081 5 0 "[ . 1 . 2]" 1
195 1 24 THR HA 1 25 LYS H . . 3.260 2.142 2.043 2.250 . 0 0 "[ . 1 . 2]" 1
196 1 24 THR HB 1 25 LYS H . . 4.340 4.005 3.103 4.279 . 0 0 "[ . 1 . 2]" 1
197 1 24 THR MG 1 25 LYS H . . 5.520 3.207 2.509 3.956 . 0 0 "[ . 1 . 2]" 1
198 1 25 LYS H 1 25 LYS HD2 . . 6.000 3.498 1.722 5.000 . 0 0 "[ . 1 . 2]" 1
199 1 25 LYS H 1 25 LYS QD . . 5.640 3.193 1.704 4.294 . 0 0 "[ . 1 . 2]" 1
200 1 25 LYS H 1 25 LYS HD3 . . 6.000 3.956 2.562 5.217 . 0 0 "[ . 1 . 2]" 1
201 1 25 LYS HA 1 25 LYS HD2 . . 5.710 3.998 2.771 4.863 . 0 0 "[ . 1 . 2]" 1
202 1 25 LYS HA 1 25 LYS HD3 . . 5.710 4.142 2.068 5.119 . 0 0 "[ . 1 . 2]" 1
203 1 25 LYS HA 1 26 SER H . . 3.160 2.254 1.917 2.452 . 0 0 "[ . 1 . 2]" 1
204 1 25 LYS QB 1 26 SER H . . 3.910 2.666 2.223 3.228 . 0 0 "[ . 1 . 2]" 1
205 1 25 LYS QB 1 27 TYR QD . . 7.580 4.852 3.817 5.466 . 0 0 "[ . 1 . 2]" 1
206 1 25 LYS QB 1 27 TYR QE . . 6.290 4.553 2.801 5.561 . 0 0 "[ . 1 . 2]" 1
207 1 25 LYS HB2 1 26 SER H . . 4.130 3.589 2.416 4.152 0.022 18 0 "[ . 1 . 2]" 1
208 1 25 LYS HB2 1 27 TYR QE . . 6.550 4.962 3.180 6.000 . 0 0 "[ . 1 . 2]" 1
209 1 25 LYS HB3 1 26 SER H . . 4.130 2.906 2.250 4.061 . 0 0 "[ . 1 . 2]" 1
210 1 25 LYS HB3 1 27 TYR QE . . 6.550 5.576 3.010 6.609 0.059 5 0 "[ . 1 . 2]" 1
211 1 25 LYS QD 1 27 TYR QE . . 7.930 5.322 3.316 7.053 . 0 0 "[ . 1 . 2]" 1
212 1 25 LYS HD2 1 26 SER H . . 6.000 5.280 3.996 6.068 0.068 15 0 "[ . 1 . 2]" 1
213 1 25 LYS HD3 1 26 SER H . . 6.000 5.292 3.736 6.037 0.037 19 0 "[ . 1 . 2]" 1
214 1 25 LYS QG 1 27 TYR QE . . 7.500 5.540 3.053 7.000 . 0 0 "[ . 1 . 2]" 1
215 1 25 LYS HG2 1 26 SER H . . 5.640 4.586 3.919 5.126 . 0 0 "[ . 1 . 2]" 1
216 1 25 LYS HG3 1 26 SER H . . 5.640 4.632 3.684 5.289 . 0 0 "[ . 1 . 2]" 1
217 1 26 SER H 1 27 TYR QE . . 7.050 6.134 5.075 6.838 . 0 0 "[ . 1 . 2]" 1
218 1 26 SER H 1 114 TYR QB . . 6.000 19.487 17.882 20.879 14.879 17 20 [**************-*+***] 1
219 1 26 SER H 1 115 ASN QB . . 6.880 19.735 18.100 21.089 14.209 17 20 [**************-*+***] 1
220 1 26 SER HA 1 27 TYR H . . 3.260 2.211 2.092 2.346 . 0 0 "[ . 1 . 2]" 1
221 1 26 SER QB 1 31 LEU MD1 . . 7.900 3.946 1.946 6.457 . 0 0 "[ . 1 . 2]" 1
222 1 26 SER QB 1 31 LEU QD . . 6.960 3.294 1.880 5.147 . 0 0 "[ . 1 . 2]" 1
223 1 26 SER QB 1 31 LEU MD2 . . 7.900 4.214 2.380 6.370 . 0 0 "[ . 1 . 2]" 1
224 1 26 SER QB 1 115 ASN H . . 6.880 19.671 18.209 20.497 13.617 4 20 [***+**********-*****] 1
225 1 26 SER QB 1 115 ASN HA . . 6.880 20.196 18.340 21.116 14.236 8 20 [*******+******-*****] 1
226 1 26 SER QB 1 115 ASN QB . . 6.890 18.245 16.990 18.948 12.058 5 20 [****+*********-*****] 1
227 1 27 TYR H 1 27 TYR HB2 . . 4.160 2.432 2.329 2.616 . 0 0 "[ . 1 . 2]" 1
228 1 27 TYR H 1 27 TYR HB3 . . 4.160 3.625 3.554 3.695 . 0 0 "[ . 1 . 2]" 1
229 1 27 TYR H 1 27 TYR QE . . 7.270 4.558 4.234 4.820 . 0 0 "[ . 1 . 2]" 1
230 1 27 TYR QB 1 30 LYS H . . 4.060 2.563 2.034 3.023 . 0 0 "[ . 1 . 2]" 1
231 1 27 TYR QB 1 30 LYS QG . . 4.180 2.476 1.784 3.597 . 0 0 "[ . 1 . 2]" 1
232 1 27 TYR HB2 1 30 LYS H . . 4.240 3.038 2.095 3.886 . 0 0 "[ . 1 . 2]" 1
233 1 27 TYR HB2 1 30 LYS QB . . 6.620 2.802 1.794 4.973 . 0 0 "[ . 1 . 2]" 1
234 1 27 TYR HB2 1 30 LYS QD . . 6.880 3.278 2.304 5.218 . 0 0 "[ . 1 . 2]" 1
235 1 27 TYR HB2 1 30 LYS HG2 . . 5.140 3.204 1.857 5.155 0.015 2 0 "[ . 1 . 2]" 1
236 1 27 TYR HB2 1 30 LYS HG3 . . 5.140 3.352 1.907 4.748 . 0 0 "[ . 1 . 2]" 1
237 1 27 TYR HB3 1 30 LYS H . . 4.240 2.918 2.054 3.468 . 0 0 "[ . 1 . 2]" 1
238 1 27 TYR HB3 1 30 LYS QB . . 6.620 3.636 2.118 5.041 . 0 0 "[ . 1 . 2]" 1
239 1 27 TYR HB3 1 30 LYS QD . . 6.880 4.183 2.424 5.285 . 0 0 "[ . 1 . 2]" 1
240 1 27 TYR HB3 1 30 LYS HG2 . . 5.140 3.900 2.605 5.189 0.049 16 0 "[ . 1 . 2]" 1
241 1 27 TYR HB3 1 30 LYS HG3 . . 5.140 4.110 2.445 5.156 0.016 8 0 "[ . 1 . 2]" 1
242 1 27 TYR QD 1 30 LYS H . . 8.140 4.506 3.570 5.131 . 0 0 "[ . 1 . 2]" 1
243 1 27 TYR QD 1 112 GLU H . . 7.850 20.863 19.548 22.070 14.220 2 20 [*+**********-*******] 1
244 1 27 TYR QE 1 111 GLN QB . . 7.390 18.994 18.110 20.081 12.691 2 20 [*+**********-*******] 1
245 1 27 TYR QE 1 112 GLU H . . 8.130 19.798 18.582 21.041 12.911 2 20 [*+**********-*******] 1
246 1 27 TYR QE 1 114 TYR HA . . 7.050 15.721 14.709 16.975 9.925 2 20 [*+**********-*******] 1
247 1 28 PRO HA 1 31 LEU H . . 4.090 3.727 3.168 4.103 0.013 9 0 "[ . 1 . 2]" 1
248 1 28 PRO HA 1 31 LEU QB . . 4.180 2.932 1.902 3.846 . 0 0 "[ . 1 . 2]" 1
249 1 28 PRO HA 1 31 LEU QD . . 6.260 3.413 2.349 5.003 . 0 0 "[ . 1 . 2]" 1
250 1 28 PRO QB 1 30 LYS H . . 5.440 4.884 4.480 5.430 . 0 0 "[ . 1 . 2]" 1
251 1 28 PRO QB 1 94 SER HA . . 6.270 22.326 21.533 23.619 17.349 5 20 [**-*+***************] 1
252 1 28 PRO QD 1 115 ASN H . . 6.000 14.847 13.985 15.574 9.574 19 20 [**********-*******+*] 1
253 1 28 PRO QG 1 115 ASN H . . 5.730 15.114 13.749 16.366 10.636 5 20 [****+********-******] 1
254 1 29 SER H 1 30 LYS H . . 3.950 2.594 2.353 2.887 . 0 0 "[ . 1 . 2]" 1
255 1 29 SER H 1 31 LEU H . . 4.960 3.982 3.669 4.351 . 0 0 "[ . 1 . 2]" 1
256 1 29 SER H 1 32 ALA MB . . 7.030 5.504 4.736 6.532 . 0 0 "[ . 1 . 2]" 1
257 1 29 SER HA 1 32 ALA MB . . 5.800 3.835 2.894 4.880 . 0 0 "[ . 1 . 2]" 1
258 1 29 SER QB 1 94 SER H . . 6.880 21.921 20.689 22.710 15.830 15 20 [***-**********+*****] 1
259 1 30 LYS H 1 30 LYS HG2 . . 4.420 2.965 1.978 4.439 0.019 9 0 "[ . 1 . 2]" 1
260 1 30 LYS H 1 30 LYS HG3 . . 4.420 3.353 2.183 4.478 0.058 9 0 "[ . 1 . 2]" 1
261 1 30 LYS H 1 31 LEU H . . 3.300 2.534 2.330 2.782 . 0 0 "[ . 1 . 2]" 1
262 1 30 LYS HA 1 30 LYS HG2 . . 4.160 3.186 2.495 4.235 0.075 19 0 "[ . 1 . 2]" 1
263 1 30 LYS HA 1 30 LYS HG3 . . 4.160 3.546 2.631 3.913 . 0 0 "[ . 1 . 2]" 1
264 1 31 LEU H 1 31 LEU HB2 . . 3.340 2.368 2.186 2.605 . 0 0 "[ . 1 . 2]" 1
265 1 31 LEU H 1 31 LEU QB . . 2.990 2.201 2.111 2.334 . 0 0 "[ . 1 . 2]" 1
266 1 31 LEU H 1 31 LEU HB3 . . 3.340 2.803 2.396 3.484 0.144 6 0 "[ . 1 . 2]" 1
267 1 31 LEU H 1 31 LEU MD1 . . 5.120 3.881 2.339 4.265 . 0 0 "[ . 1 . 2]" 1
268 1 31 LEU H 1 31 LEU QD . . 4.740 3.366 2.153 3.765 . 0 0 "[ . 1 . 2]" 1
269 1 31 LEU H 1 31 LEU MD2 . . 5.120 3.881 2.171 4.274 . 0 0 "[ . 1 . 2]" 1
270 1 31 LEU H 1 32 ALA H . . 3.300 2.397 1.902 2.714 . 0 0 "[ . 1 . 2]" 1
271 1 31 LEU H 1 33 ARG H . . 4.600 4.110 3.630 4.781 0.181 1 0 "[ . 1 . 2]" 1
272 1 31 LEU HA 1 31 LEU MD1 . . 3.900 3.038 2.061 3.875 . 0 0 "[ . 1 . 2]" 1
273 1 31 LEU HA 1 31 LEU QD . . 3.390 2.382 2.009 2.943 . 0 0 "[ . 1 . 2]" 1
274 1 31 LEU HA 1 31 LEU MD2 . . 3.900 2.985 2.059 3.886 . 0 0 "[ . 1 . 2]" 1
275 1 31 LEU QB 1 32 ALA H . . 3.440 2.490 2.292 2.945 . 0 0 "[ . 1 . 2]" 1
276 1 31 LEU HB2 1 32 ALA H . . 3.620 3.379 2.477 3.721 0.101 4 0 "[ . 1 . 2]" 1
277 1 31 LEU HB3 1 32 ALA H . . 3.620 2.808 2.316 3.722 0.102 15 0 "[ . 1 . 2]" 1
278 1 31 LEU QD 1 32 ALA H . . 7.340 3.613 3.174 4.092 . 0 0 "[ . 1 . 2]" 1
279 1 32 ALA H 1 32 ALA HA . . 2.800 2.578 2.207 2.891 0.091 19 0 "[ . 1 . 2]" 1
280 1 32 ALA HA 1 33 ARG H . . 3.230 3.192 2.592 3.373 0.143 14 0 "[ . 1 . 2]" 1
281 1 32 ALA MB 1 93 ARG QB . . 6.070 20.458 18.881 21.887 15.817 5 20 [**-*+***************] 1
282 1 68 TYR H 1 137 ALA H . . 4.200 36.710 28.953 41.723 37.523 5 20 [****+****-**********] 1
283 1 68 TYR H 1 138 LEU QD . . 8.130 27.127 21.755 30.585 22.455 5 20 [****+****-**********] 1
284 1 69 ALA H 1 70 ALA H . . 4.740 3.686 2.343 4.547 . 0 0 "[ . 1 . 2]" 1
285 1 69 ALA H 1 78 LYS HA . . 4.450 14.906 8.194 24.288 19.838 2 20 [*+*****************-] 1
286 1 69 ALA H 1 137 ALA H . . 4.990 38.018 29.772 45.551 40.561 15 20 [*********-****+*****] 1
287 1 70 ALA H 1 71 ASP H . . 4.340 3.330 2.150 4.533 0.193 8 0 "[ . 1 . 2]" 1
288 1 70 ALA H 1 136 VAL HA . . 4.160 41.707 35.374 47.744 43.584 15 20 [**************+****-] 1
289 1 70 ALA HA 1 71 ASP H . . 3.440 2.726 2.107 3.580 0.140 1 0 "[ . 1 . 2]" 1
290 1 70 ALA HA 1 77 SER H . . 4.090 13.885 3.908 18.996 14.906 2 19 "[*+******** ******-**]" 1
291 1 71 ASP H 1 75 MET H . . 3.980 10.172 4.680 12.855 8.875 3 20 [**+**************-**] 1
292 1 71 ASP H 1 77 SER H . . 4.420 12.744 3.980 16.943 12.523 2 19 "[*+******** ********-]" 1
293 1 72 ARG HA 1 74 CYS H . . 4.700 5.222 3.057 6.709 2.009 16 10 "[ - ** * 1 ****+ *2]" 1
294 1 72 ARG QG 1 73 ASN H . . 6.880 4.542 3.058 4.988 . 0 0 "[ . 1 . 2]" 1
295 1 74 CYS H 1 75 MET H . . 3.700 3.937 2.147 4.455 0.755 7 11 "[** *. + **** - **]" 1
296 1 75 MET H 1 76 TRP H . . 4.920 3.778 2.126 4.559 . 0 0 "[ . 1 . 2]" 1
297 1 75 MET HA 1 76 TRP H . . 3.050 2.494 2.065 3.553 0.503 19 1 "[ . 1 . +2]" 1
298 1 76 TRP H 1 77 SER H . . 4.600 3.314 2.066 4.288 . 0 0 "[ . 1 . 2]" 1
299 1 78 LYS H 1 78 LYS HB2 . . 4.200 3.071 2.451 4.042 . 0 0 "[ . 1 . 2]" 1
300 1 78 LYS H 1 78 LYS HB3 . . 4.200 3.370 2.472 4.046 . 0 0 "[ . 1 . 2]" 1
301 1 78 LYS HA 1 79 LYS H . . 3.160 2.463 2.075 3.567 0.407 10 0 "[ . 1 . 2]" 1
302 1 78 LYS HA 1 80 CYS H . . 3.910 5.485 3.595 7.028 3.118 5 18 "[****+**-*1***** ****]" 1
303 1 78 LYS HB2 1 79 LYS H . . 4.130 4.125 2.466 4.558 0.428 16 0 "[ . 1 . 2]" 1
304 1 78 LYS HB3 1 79 LYS H . . 4.130 3.820 2.600 4.490 0.360 9 0 "[ . 1 . 2]" 1
305 1 79 LYS H 1 80 CYS H . . 3.440 3.962 2.778 4.516 1.076 14 15 "[* ***** *1***+* * *-]" 1
306 1 80 CYS QB 1 81 SER H . . 4.180 3.244 1.989 4.019 . 0 0 "[ . 1 . 2]" 1
307 1 80 CYS QB 1 108 LEU QB . . 6.880 32.309 29.423 35.038 28.158 5 20 [****+***-***********] 1
308 1 81 SER HA 1 82 GLY H . . 3.480 2.379 2.056 3.561 0.081 5 0 "[ . 1 . 2]" 1
309 1 81 SER QB 1 82 GLY H . . 4.070 3.354 1.978 4.057 . 0 0 "[ . 1 . 2]" 1
310 1 81 SER QB 1 102 ILE H . . 6.630 35.626 28.087 39.920 33.290 3 20 [**+******-**********] 1
311 1 83 VAL H 1 100 PHE H . . 4.340 33.815 27.081 36.482 32.142 3 20 [**+******-**********] 1
312 1 83 VAL H 1 100 PHE QB . . 6.880 31.374 25.624 34.126 27.246 3 20 [**+******-**********] 1
313 1 83 VAL HA 1 84 ALA H . . 3.340 2.339 2.029 3.332 . 0 0 "[ . 1 . 2]" 1
314 1 84 ALA H 1 85 CYS H . . 4.810 3.664 2.331 4.507 . 0 0 "[ . 1 . 2]" 1
315 1 85 CYS H 1 98 ARG H . . 4.090 29.539 26.405 31.852 27.762 20 20 [*********-*********+] 1
316 1 85 CYS H 1 99 ILE H . . 5.460 31.998 28.169 34.059 28.599 8 20 [*******+*-**********] 1
317 1 85 CYS H 1 99 ILE HA . . 4.490 30.639 26.502 32.704 28.214 8 20 [*******+*-**********] 1
318 1 85 CYS H 1 100 PHE H . . 5.240 32.041 27.712 34.050 28.810 8 20 [*******+*-**********] 1
319 1 85 CYS HA 1 86 LEU H . . 3.230 2.970 2.032 3.605 0.375 9 0 "[ . 1 . 2]" 1
320 1 85 CYS QB 1 86 LEU H . . 4.630 2.633 1.794 4.005 . 0 0 "[ . 1 . 2]" 1
321 1 85 CYS QB 1 87 VAL H . . 6.230 5.315 2.771 6.318 0.088 18 0 "[ . 1 . 2]" 1
322 1 85 CYS QB 1 98 ARG H . . 6.880 25.810 23.072 28.005 21.125 18 20 [*****************+-*] 1
323 1 85 CYS HB2 1 86 LEU H . . 5.030 3.207 2.010 4.531 . 0 0 "[ . 1 . 2]" 1
324 1 85 CYS HB3 1 86 LEU H . . 5.030 3.183 1.806 4.590 . 0 0 "[ . 1 . 2]" 1
325 1 86 LEU H 1 87 VAL H . . 4.490 4.009 2.194 4.603 0.113 7 0 "[ . 1 . 2]" 1
326 1 86 LEU H 1 97 LEU QD . . 8.600 18.545 17.140 19.960 11.360 4 20 [***+***********-****] 1
327 1 86 LEU HA 1 87 VAL H . . 3.120 2.658 2.058 3.566 0.446 15 0 "[ . 1 . 2]" 1
328 1 86 LEU HA 1 97 LEU HA . . 4.020 25.058 23.649 25.954 21.934 15 20 [*************-+*****] 1
329 1 86 LEU HA 1 97 LEU QD . . 6.690 17.667 16.716 18.362 11.672 4 20 [***+*********-******] 1
330 1 86 LEU HA 1 98 ARG H . . 4.420 26.527 25.082 27.373 22.953 15 20 [*************-+*****] 1
331 1 86 LEU QB 1 87 VAL H . . 4.640 2.547 1.698 3.945 . 0 0 "[ . 1 . 2]" 1
332 1 86 LEU HB2 1 87 VAL H . . 4.810 3.266 1.839 4.445 . 0 0 "[ . 1 . 2]" 1
333 1 86 LEU HB3 1 87 VAL H . . 4.810 3.019 1.712 4.412 . 0 0 "[ . 1 . 2]" 1
334 1 87 VAL H 1 96 PHE H . . 4.270 23.538 22.282 24.484 20.214 13 20 [************+-******] 1
335 1 87 VAL H 1 97 LEU HA . . 4.060 22.773 21.668 23.551 19.491 4 20 [***+*********-******] 1
336 1 87 VAL H 1 97 LEU QD . . 7.370 16.057 15.334 16.755 9.385 4 20 [***+****-***********] 1
337 1 87 VAL HA 1 88 LYS H . . 3.120 2.156 2.071 2.271 . 0 0 "[ . 1 . 2]" 1
338 1 88 LYS H 1 89 ASP H . . 4.490 4.411 4.239 4.502 0.012 2 0 "[ . 1 . 2]" 1
339 1 88 LYS HA 1 89 ASP H . . 3.410 2.147 1.992 2.232 . 0 0 "[ . 1 . 2]" 1
340 1 88 LYS HA 1 95 TYR HA . . 3.730 20.418 19.838 20.949 17.219 20 20 [******-************+] 1
341 1 88 LYS HA 1 96 PHE H . . 4.880 21.523 20.706 21.930 17.050 20 20 [******-************+] 1
342 1 89 ASP H 1 90 ASN H . . 4.810 4.430 4.364 4.514 . 0 0 "[ . 1 . 2]" 1
343 1 89 ASP H 1 94 SER H . . 3.950 15.413 14.777 15.947 11.997 13 20 [*-**********+*******] 1
344 1 89 ASP H 1 95 TYR HA . . 4.090 18.611 17.983 19.233 15.143 20 20 [******-************+] 1
345 1 89 ASP H 1 96 PHE H . . 5.210 19.841 18.994 20.330 15.120 20 20 [******-************+] 1
346 1 89 ASP HA 1 90 ASN H . . 3.410 2.132 2.100 2.210 . 0 0 "[ . 1 . 2]" 1
347 1 90 ASN H 1 90 ASN HB2 . . 4.060 2.633 2.369 2.979 . 0 0 "[ . 1 . 2]" 1
348 1 90 ASN H 1 90 ASN HB3 . . 4.060 2.958 2.379 3.727 . 0 0 "[ . 1 . 2]" 1
349 1 90 ASN H 1 92 GLN H . . 4.880 6.391 6.281 6.617 1.737 5 20 [****+***-***********] 1
350 1 90 ASN HA 1 93 ARG H . . 4.740 10.194 9.994 10.470 5.730 14 20 [***-*********+******] 1
351 1 90 ASN HA 1 93 ARG HA . . 4.740 11.535 11.134 11.826 7.086 14 20 [*************+****-*] 1
352 1 91 PRO QB 1 92 GLN H . . 4.200 2.958 2.387 3.590 . 0 0 "[ . 1 . 2]" 1
353 1 91 PRO HB2 1 92 GLN H . . 4.380 3.860 2.756 4.129 . 0 0 "[ . 1 . 2]" 1
354 1 91 PRO HB3 1 92 GLN H . . 4.380 3.158 2.419 3.945 . 0 0 "[ . 1 . 2]" 1
355 1 92 GLN H 1 92 GLN HB2 . . 3.660 3.556 2.764 3.916 0.256 9 0 "[ . 1 . 2]" 1
356 1 92 GLN H 1 92 GLN QB . . 3.500 3.043 2.703 3.252 . 0 0 "[ . 1 . 2]" 1
357 1 92 GLN H 1 92 GLN HB3 . . 3.660 3.475 3.107 3.895 0.235 3 0 "[ . 1 . 2]" 1
358 1 92 GLN H 1 93 ARG H . . 3.590 4.263 4.109 4.402 0.812 17 20 [*********-******+***] 1
359 1 92 GLN H 1 94 SER H . . 4.490 7.109 6.890 7.310 2.820 13 20 [*-**********+*******] 1
360 1 92 GLN QB 1 93 ARG H . . 4.220 2.924 2.600 3.105 . 0 0 "[ . 1 . 2]" 1
361 1 92 GLN QB 1 94 SER H . . 4.400 5.787 5.397 6.075 1.675 13 20 [*-**********+*******] 1
362 1 92 GLN QB 1 95 TYR H . . 5.510 7.436 6.957 7.892 2.382 15 20 [**************+*-***] 1
363 1 93 ARG H 1 94 SER H . . 3.590 4.331 4.222 4.444 0.854 13 20 [********-***+*******] 1
364 1 94 SER H 1 95 TYR H . . 4.920 4.463 4.326 4.555 . 0 0 "[ . 1 . 2]" 1
365 1 94 SER HA 1 95 TYR H . . 3.440 2.164 2.045 2.223 . 0 0 "[ . 1 . 2]" 1
366 1 95 TYR H 1 96 PHE H . . 4.560 4.358 4.331 4.391 . 0 0 "[ . 1 . 2]" 1
367 1 95 TYR HA 1 96 PHE H . . 3.260 2.393 2.277 2.478 . 0 0 "[ . 1 . 2]" 1
368 1 96 PHE HA 1 97 LEU H . . 3.370 2.240 2.143 2.323 . 0 0 "[ . 1 . 2]" 1
369 1 96 PHE HA 1 113 LEU H . . 4.130 6.497 6.049 7.213 3.083 2 20 [*+-*****************] 1
370 1 96 PHE QB 1 97 LEU H . . 4.310 3.009 2.529 3.741 . 0 0 "[ . 1 . 2]" 1
371 1 96 PHE HB2 1 97 LEU H . . 4.450 3.768 2.641 4.469 0.019 4 0 "[ . 1 . 2]" 1
372 1 96 PHE HB3 1 97 LEU H . . 4.450 3.358 2.574 4.160 . 0 0 "[ . 1 . 2]" 1
373 1 97 LEU H 1 97 LEU QB . . 3.680 2.331 2.267 2.391 . 0 0 "[ . 1 . 2]" 1
374 1 97 LEU H 1 97 LEU HG . . 5.240 4.717 4.315 4.801 . 0 0 "[ . 1 . 2]" 1
375 1 97 LEU H 1 111 GLN H . . 4.380 4.711 4.559 4.792 0.412 5 0 "[ . 1 . 2]" 1
376 1 97 LEU H 1 113 LEU H . . 4.670 7.562 7.267 8.190 3.520 2 20 [*+-*****************] 1
377 1 97 LEU HA 1 98 ARG H . . 3.190 2.052 1.982 2.116 . 0 0 "[ . 1 . 2]" 1
378 1 97 LEU QB 1 109 TRP HZ3 . . 4.900 8.040 7.170 8.785 3.885 2 20 [*+****-*************] 1
379 1 97 LEU QB 1 110 GLU HA . . 6.880 4.664 4.377 4.875 . 0 0 "[ . 1 . 2]" 1
380 1 97 LEU QB 1 111 GLN H . . 6.000 5.087 4.752 5.359 . 0 0 "[ . 1 . 2]" 1
381 1 97 LEU QD 1 98 ARG H . . 6.100 2.244 2.092 2.604 . 0 0 "[ . 1 . 2]" 1
382 1 97 LEU QD 1 109 TRP HZ3 . . 7.050 5.567 4.509 6.642 . 0 0 "[ . 1 . 2]" 1
383 1 97 LEU QD 1 110 GLU HA . . 8.090 5.334 4.724 5.616 . 0 0 "[ . 1 . 2]" 1
384 1 97 LEU QD 1 111 GLN H . . 8.380 6.171 5.636 6.427 . 0 0 "[ . 1 . 2]" 1
385 1 97 LEU MD1 1 98 ARG H . . 7.030 2.693 2.401 2.980 . 0 0 "[ . 1 . 2]" 1
386 1 97 LEU MD2 1 98 ARG H . . 7.030 2.515 2.137 4.696 . 0 0 "[ . 1 . 2]" 1
387 1 97 LEU HG 1 109 TRP HZ3 . . 4.380 8.432 6.531 10.069 5.689 2 20 [*+**********-*******] 1
388 1 97 LEU HG 1 111 GLN H . . 6.000 7.494 6.973 7.840 1.840 18 20 [***-*************+**] 1
389 1 98 ARG H 1 99 ILE H . . 4.920 4.343 4.293 4.399 . 0 0 "[ . 1 . 2]" 1
390 1 98 ARG HA 1 99 ILE H . . 3.370 2.144 2.082 2.244 . 0 0 "[ . 1 . 2]" 1
391 1 98 ARG HA 1 109 TRP H . . 4.630 2.959 2.660 3.274 . 0 0 "[ . 1 . 2]" 1
392 1 98 ARG HA 1 109 TRP HZ3 . . 5.890 7.510 6.011 8.828 2.938 10 19 "[******* *+*****-****]" 1
393 1 98 ARG HA 1 110 GLU HA . . 3.550 7.403 7.192 7.546 3.996 1 20 [+******************-] 1
394 1 98 ARG HA 1 110 GLU QB . . 6.880 6.764 6.364 7.413 0.533 12 2 "[ . 1 + - 2]" 1
395 1 98 ARG HA 1 111 GLN H . . 4.270 8.512 8.262 8.810 4.540 5 20 [****+*********-*****] 1
396 1 99 ILE H 1 100 PHE H . . 4.960 4.391 4.281 4.466 . 0 0 "[ . 1 . 2]" 1
397 1 99 ILE H 1 107 LEU HG . . 5.320 5.482 4.773 5.990 0.670 20 7 "[ -.* **1 * .* +]" 1
398 1 99 ILE H 1 108 LEU H . . 5.060 4.778 4.576 5.185 0.125 1 0 "[ . 1 . 2]" 1
399 1 99 ILE H 1 109 TRP H . . 3.980 3.875 3.464 4.211 0.231 1 0 "[ . 1 . 2]" 1
400 1 99 ILE H 1 109 TRP HB2 . . 6.000 4.383 3.194 5.202 . 0 0 "[ . 1 . 2]" 1
401 1 99 ILE H 1 109 TRP HB3 . . 6.000 5.579 4.255 6.402 0.402 18 0 "[ . 1 . 2]" 1
402 1 99 ILE H 1 109 TRP HE3 . . 5.390 4.555 3.680 5.719 0.329 1 0 "[ . 1 . 2]" 1
403 1 99 ILE H 1 110 GLU HA . . 4.420 8.525 8.144 8.855 4.435 18 20 [*****************+-*] 1
404 1 99 ILE HA 1 100 PHE H . . 3.410 2.239 2.167 2.316 . 0 0 "[ . 1 . 2]" 1
405 1 100 PHE H 1 101 ASP H . . 4.810 4.350 4.245 4.395 . 0 0 "[ . 1 . 2]" 1
406 1 100 PHE HA 1 101 ASP H . . 3.410 2.022 1.954 2.080 . 0 0 "[ . 1 . 2]" 1
407 1 100 PHE HA 1 107 LEU HA . . 3.660 6.118 5.797 6.577 2.917 12 20 [***********+******-*] 1
408 1 100 PHE HA 1 107 LEU QB . . 6.020 4.615 4.219 5.259 . 0 0 "[ . 1 . 2]" 1
409 1 100 PHE HA 1 108 LEU H . . 4.740 7.645 7.289 7.933 3.193 12 20 [***********+******-*] 1
410 1 100 PHE HA 1 108 LEU QB . . 6.840 8.451 8.086 9.045 2.205 1 20 [+*-*****************] 1
411 1 100 PHE HA 1 109 TRP H . . 4.630 8.543 8.035 8.968 4.338 12 20 [***********+******-*] 1
412 1 101 ASP H 1 101 ASP QB . . 3.540 2.300 2.193 2.558 . 0 0 "[ . 1 . 2]" 1
413 1 101 ASP H 1 106 LYS H . . 4.810 4.742 4.464 4.909 0.099 18 0 "[ . 1 . 2]" 1
414 1 101 ASP H 1 106 LYS QB . . 6.880 5.296 4.874 5.644 . 0 0 "[ . 1 . 2]" 1
415 1 101 ASP H 1 107 LEU HA . . 4.880 5.898 5.274 6.398 1.518 4 19 "[***+* **-***********]" 1
416 1 101 ASP QB 1 102 ILE H . . 4.470 3.213 2.533 3.513 . 0 0 "[ . 1 . 2]" 1
417 1 101 ASP QB 1 103 LYS H . . 5.840 5.043 4.378 5.963 0.123 11 0 "[ . 1 . 2]" 1
418 1 101 ASP QB 1 106 LYS H . . 4.410 4.952 4.118 5.814 1.404 18 11 "[** ** * ** -+**]" 1
419 1 101 ASP QB 1 108 LEU QB . . 7.760 8.310 7.058 9.427 1.667 18 10 "[** *. * - * *+**]" 1
420 1 103 LYS H 1 103 LYS QB . . 2.980 2.872 2.545 3.091 0.111 7 0 "[ . 1 . 2]" 1
421 1 103 LYS H 1 104 ASP H . . 3.880 2.176 1.868 2.534 . 0 0 "[ . 1 . 2]" 1
422 1 103 LYS H 1 105 GLY H . . 4.450 4.445 3.765 4.953 0.503 20 1 "[ . 1 . +]" 1
423 1 103 LYS HA 1 103 LYS QB . . 2.760 2.229 2.153 2.388 . 0 0 "[ . 1 . 2]" 1
424 1 103 LYS QB 1 104 ASP H . . 3.390 3.676 2.862 4.092 0.702 20 8 "[ * . * * - ***+]" 1
425 1 106 LYS H 1 106 LYS HB2 . . 4.200 2.469 2.416 2.572 . 0 0 "[ . 1 . 2]" 1
426 1 106 LYS H 1 106 LYS QB . . 3.590 2.432 2.383 2.528 . 0 0 "[ . 1 . 2]" 1
427 1 106 LYS H 1 106 LYS HB3 . . 4.200 3.663 3.622 3.717 . 0 0 "[ . 1 . 2]" 1
428 1 106 LYS H 1 107 LEU H . . 4.670 4.435 4.356 4.579 . 0 0 "[ . 1 . 2]" 1
429 1 107 LEU H 1 107 LEU HB2 . . 3.590 2.826 2.489 3.123 . 0 0 "[ . 1 . 2]" 1
430 1 107 LEU H 1 107 LEU QB . . 3.390 2.450 2.331 2.612 . 0 0 "[ . 1 . 2]" 1
431 1 107 LEU H 1 107 LEU HB3 . . 3.590 2.956 2.456 3.769 0.179 13 0 "[ . 1 . 2]" 1
432 1 107 LEU H 1 108 LEU H . . 4.700 4.247 4.148 4.395 . 0 0 "[ . 1 . 2]" 1
433 1 107 LEU HA 1 108 LEU H . . 3.340 2.159 2.067 2.208 . 0 0 "[ . 1 . 2]" 1
434 1 107 LEU HA 1 109 TRP H . . 4.090 5.758 5.653 5.929 1.839 13 20 [****-*******+*******] 1
435 1 107 LEU QB 1 108 LEU H . . 4.510 3.620 2.914 3.883 . 0 0 "[ . 1 . 2]" 1
436 1 107 LEU HB2 1 108 LEU H . . 4.670 4.284 3.984 4.404 . 0 0 "[ . 1 . 2]" 1
437 1 107 LEU HB3 1 108 LEU H . . 4.670 3.944 2.995 4.337 . 0 0 "[ . 1 . 2]" 1
438 1 107 LEU HG 1 108 LEU H . . 5.680 4.293 3.429 5.456 . 0 0 "[ . 1 . 2]" 1
439 1 107 LEU HG 1 109 TRP H . . 4.780 6.732 5.221 7.735 2.955 12 19 "[********** +******-*]" 1
440 1 108 LEU H 1 109 TRP H . . 3.480 4.376 4.331 4.440 0.960 9 20 [****-***+***********] 1
441 1 108 LEU QB 1 109 TRP H . . 4.790 3.621 2.821 3.735 . 0 0 "[ . 1 . 2]" 1
442 1 109 TRP H 1 109 TRP HB2 . . 4.090 2.634 2.324 2.999 . 0 0 "[ . 1 . 2]" 1
443 1 109 TRP H 1 109 TRP HB3 . . 4.090 3.361 2.509 3.792 . 0 0 "[ . 1 . 2]" 1
444 1 109 TRP H 1 110 GLU H . . 4.380 2.198 1.906 2.314 . 0 0 "[ . 1 . 2]" 1
445 1 109 TRP HA 1 110 GLU H . . 2.940 3.519 3.422 3.567 0.627 7 19 "[-*****+***** *******]" 1
446 1 109 TRP QB 1 109 TRP HZ3 . . 5.930 4.358 2.897 5.096 . 0 0 "[ . 1 . 2]" 1
447 1 109 TRP QB 1 110 GLU H . . 4.300 2.658 2.364 2.986 . 0 0 "[ . 1 . 2]" 1
448 1 109 TRP HB2 1 110 GLU H . . 4.560 3.120 2.410 4.089 . 0 0 "[ . 1 . 2]" 1
449 1 109 TRP HB3 1 110 GLU H . . 4.560 3.279 2.392 3.878 . 0 0 "[ . 1 . 2]" 1
450 1 109 TRP HE3 1 110 GLU H . . 6.000 6.555 5.203 7.828 1.828 1 13 "[+**** **** - ** * 2]" 1
451 1 109 TRP HZ2 1 111 GLN QB . . 5.300 11.909 10.377 13.015 7.715 9 20 [********+**********-] 1
452 1 110 GLU HA 1 111 GLN H . . 3.260 2.317 2.234 2.446 . 0 0 "[ . 1 . 2]" 1
453 1 111 GLN HA 1 112 GLU H . . 3.370 2.303 2.242 2.381 . 0 0 "[ . 1 . 2]" 1
454 1 112 GLU H 1 113 LEU H . . 5.030 3.973 3.862 4.236 . 0 0 "[ . 1 . 2]" 1
455 1 113 LEU H 1 114 TYR H . . 4.700 4.318 4.221 4.426 . 0 0 "[ . 1 . 2]" 1
456 1 113 LEU HA 1 114 TYR H . . 3.190 2.221 2.123 2.269 . 0 0 "[ . 1 . 2]" 1
457 1 114 TYR H 1 115 ASN H . . 4.490 4.412 4.345 4.461 . 0 0 "[ . 1 . 2]" 1
458 1 114 TYR HA 1 115 ASN H . . 3.480 2.177 2.095 2.228 . 0 0 "[ . 1 . 2]" 1
459 1 114 TYR QB 1 115 ASN H . . 3.760 3.410 3.330 3.548 . 0 0 "[ . 1 . 2]" 1
460 1 117 PHE HA 1 118 VAL H . . 2.980 2.164 2.096 2.252 . 0 0 "[ . 1 . 2]" 1
461 1 118 VAL H 1 119 TYR H . . 4.780 4.260 4.114 4.408 . 0 0 "[ . 1 . 2]" 1
462 1 118 VAL HA 1 119 TYR H . . 2.800 2.144 2.018 2.237 . 0 0 "[ . 1 . 2]" 1
463 1 119 TYR H 1 119 TYR HB2 . . 3.840 2.717 2.417 3.083 . 0 0 "[ . 1 . 2]" 1
464 1 119 TYR H 1 119 TYR QB . . 3.580 2.360 2.253 2.520 . 0 0 "[ . 1 . 2]" 1
465 1 119 TYR H 1 119 TYR HB3 . . 3.840 2.716 2.426 3.657 . 0 0 "[ . 1 . 2]" 1
466 1 119 TYR HA 1 120 ASN H . . 3.480 2.078 1.999 2.158 . 0 0 "[ . 1 . 2]" 1
467 1 120 ASN H 1 120 ASN QB . . 3.800 2.347 2.225 2.525 . 0 0 "[ . 1 . 2]" 1
468 1 120 ASN H 1 120 ASN HD21 . . 5.390 4.354 2.388 4.836 . 0 0 "[ . 1 . 2]" 1
469 1 120 ASN H 1 120 ASN QD . . 5.230 4.148 2.352 4.622 . 0 0 "[ . 1 . 2]" 1
470 1 120 ASN H 1 120 ASN HD22 . . 5.390 5.287 3.541 5.887 0.497 11 0 "[ . 1 . 2]" 1
471 1 120 ASN H 1 128 THR H . . 4.060 12.822 11.898 13.550 9.490 10 20 [*********+***-******] 1
472 1 120 ASN QB 1 128 THR H . . 5.640 13.525 12.502 14.429 8.789 18 20 [*************-***+**] 1
473 1 121 SER HA 1 123 ARG H . . 4.160 3.960 3.767 4.171 0.011 13 0 "[ . 1 . 2]" 1
474 1 121 SER HA 1 127 HIS HA . . 3.520 16.292 14.625 16.836 13.316 18 20 [**-**************+**] 1
475 1 121 SER HA 1 128 THR H . . 4.020 17.300 15.425 17.984 13.964 16 20 [**-************+****] 1
476 1 121 SER QB 1 128 THR H . . 6.880 14.663 12.261 15.844 8.964 19 20 [**-***************+*] 1
477 1 122 PRO HB2 1 126 PHE QD . . 8.120 5.502 4.058 7.423 . 0 0 "[ . 1 . 2]" 1
478 1 122 PRO HB3 1 126 PHE QD . . 8.120 5.313 4.128 6.846 . 0 0 "[ . 1 . 2]" 1
479 1 122 PRO QG 1 128 THR H . . 6.880 11.602 9.134 13.092 6.212 13 20 [**-*********+*******] 1
480 1 122 PRO HG2 1 126 PHE QD . . 8.120 5.059 2.212 6.448 . 0 0 "[ . 1 . 2]" 1
481 1 122 PRO HG3 1 126 PHE QD . . 8.120 5.942 3.731 7.814 . 0 0 "[ . 1 . 2]" 1
482 1 123 ARG H 1 123 ARG QD . . 5.680 4.406 2.318 5.187 . 0 0 "[ . 1 . 2]" 1
483 1 123 ARG H 1 125 TYR H . . 4.560 7.020 6.843 7.180 2.620 4 20 [**-+****************] 1
484 1 123 ARG H 1 126 PHE H . . 3.700 8.768 8.161 9.168 5.468 11 20 [**-*******+*********] 1
485 1 123 ARG H 1 126 PHE QB . . 5.150 8.514 6.201 9.212 4.062 11 20 [**-*******+*********] 1
486 1 123 ARG H 1 127 HIS HA . . 4.630 13.294 12.182 13.800 9.170 4 20 [**-+****************] 1
487 1 123 ARG HA 1 123 ARG QD . . 3.710 3.805 2.094 4.565 0.855 16 3 "[ . - 1 *.+ 2]" 1
488 1 123 ARG HA 1 125 TYR H . . 4.880 6.667 6.460 6.859 1.979 3 20 [**+*******-*********] 1
489 1 123 ARG HA 1 125 TYR QD . . 7.170 6.578 5.352 7.927 0.757 3 1 "[ + . 1 . 2]" 1
490 1 123 ARG QB 1 125 TYR H . . 5.330 6.536 6.257 6.990 1.660 14 20 [***********-*+******] 1
491 1 123 ARG QB 1 125 TYR QD . . 8.330 6.634 5.811 7.844 . 0 0 "[ . 1 . 2]" 1
492 1 123 ARG QB 1 125 TYR QE . . 9.010 6.168 4.998 7.986 . 0 0 "[ . 1 . 2]" 1
493 1 123 ARG QB 1 126 PHE H . . 4.820 9.276 8.982 9.659 4.839 11 20 [**********+******-**] 1
494 1 123 ARG QB 1 126 PHE QB . . 7.760 9.247 7.425 9.828 2.068 4 18 "[** +**** -**********]" 1
495 1 123 ARG QD 1 125 TYR QE . . 7.490 7.771 5.895 9.249 1.759 3 10 "[ *+*. ***1 * -. **]" 1
496 1 123 ARG QD 1 126 PHE H . . 6.000 11.197 10.289 11.793 5.793 5 20 [****+******-********] 1
497 1 123 ARG QG 1 125 TYR H . . 6.880 7.617 6.323 8.326 1.446 4 15 "[ **+**** * ** - ****]" 1
498 1 123 ARG QG 1 125 TYR QE . . 9.010 7.070 4.034 9.315 0.305 3 0 "[ . 1 . 2]" 1
499 1 123 ARG QG 1 126 PHE H . . 6.880 10.016 9.323 10.740 3.860 4 20 [***+***********-****] 1
500 1 123 ARG QG 1 126 PHE QB . . 6.880 9.845 8.055 10.892 4.012 4 20 [**-+****************] 1
501 1 125 TYR H 1 126 PHE H . . 3.340 4.337 4.192 4.477 1.137 4 20 [***+**********-*****] 1
502 1 125 TYR QB 1 140 PHE H . . 6.000 11.325 10.656 12.213 6.213 5 20 [****+*************-*] 1
503 1 125 TYR QD 1 126 PHE H . . 8.140 4.237 3.687 4.659 . 0 0 "[ . 1 . 2]" 1
504 1 125 TYR QD 1 139 ASN HA . . 8.140 14.707 13.985 15.574 7.434 9 20 [********+*********-*] 1
505 1 125 TYR QD 1 140 PHE H . . 8.140 13.068 12.477 14.047 5.907 9 20 [********+*********-*] 1
506 1 125 TYR QE 1 126 PHE QB . . 7.060 7.784 7.116 8.219 1.159 4 15 "[** +.** *****.***-*]" 1
507 1 126 PHE H 1 127 HIS H . . 4.560 4.273 4.173 4.352 . 0 0 "[ . 1 . 2]" 1
508 1 126 PHE HA 1 127 HIS H . . 3.230 2.175 2.056 2.321 . 0 0 "[ . 1 . 2]" 1
509 1 126 PHE HA 1 138 LEU H . . 4.990 12.477 11.529 13.116 8.126 9 20 [********+***-*******] 1
510 1 126 PHE HA 1 139 ASN HA . . 3.770 10.380 9.763 11.310 7.540 9 20 [******-*+***********] 1
511 1 126 PHE HA 1 140 PHE H . . 4.560 8.456 7.793 9.447 4.887 9 20 [******-*+***********] 1
512 1 126 PHE QB 1 127 HIS H . . 4.490 3.082 2.614 3.674 . 0 0 "[ . 1 . 2]" 1
513 1 126 PHE QD 1 127 HIS H . . 8.120 3.893 3.322 4.214 . 0 0 "[ . 1 . 2]" 1
514 1 126 PHE QD 1 128 THR H . . 8.120 5.927 3.881 6.929 . 0 0 "[ . 1 . 2]" 1
515 1 126 PHE QD 1 138 LEU QD . . 10.250 9.867 8.785 11.338 1.088 4 2 "[ +. 1 .- 2]" 1
516 1 126 PHE QD 1 139 ASN H . . 8.120 8.821 7.851 10.198 2.078 4 12 "[-* +.* * 1 ** .*****]" 1
517 1 126 PHE QD 1 139 ASN HA . . 7.690 8.737 7.970 9.964 2.274 4 18 "[***+** ****** **-***]" 1
518 1 126 PHE QD 1 139 ASN QB . . 7.550 8.579 7.437 9.601 2.051 4 16 "[**-+.***** ** .*****]" 1
519 1 126 PHE QE 1 139 ASN HA . . 7.830 9.448 6.827 11.591 3.761 4 16 "[** +.*** 1***-******]" 1
520 1 127 HIS H 1 138 LEU HA . . 4.810 11.955 11.438 12.386 7.576 12 20 [******-****+********] 1
521 1 127 HIS H 1 138 LEU QB . . 6.000 11.824 11.023 12.296 6.296 10 20 [*********+*-********] 1
522 1 127 HIS H 1 138 LEU HG . . 6.000 13.160 12.000 14.664 8.664 4 20 [***+**************-*] 1
523 1 127 HIS H 1 139 ASN HA . . 4.670 8.843 8.469 9.374 4.704 10 20 [******-**+**********] 1
524 1 127 HIS H 1 140 PHE H . . 5.170 7.103 6.710 7.573 2.403 9 20 [******-*+***********] 1
525 1 127 HIS HA 1 128 THR H . . 3.440 2.143 2.069 2.194 . 0 0 "[ . 1 . 2]" 1
526 1 127 HIS QB 1 128 THR H . . 5.180 3.532 2.866 3.810 . 0 0 "[ . 1 . 2]" 1
527 1 127 HIS QB 1 138 LEU H . . 6.880 9.828 8.942 10.237 3.357 11 20 [**********+*****-***] 1
528 1 127 HIS QB 1 138 LEU QB . . 7.760 10.683 9.899 11.316 3.556 15 20 [***********-**+*****] 1
529 1 127 HIS QB 1 138 LEU HG . . 6.880 11.620 10.323 13.371 6.491 18 20 [****************-+**] 1
530 1 128 THR H 1 138 LEU H . . 4.630 8.648 8.103 9.016 4.386 7 20 [******+*****-*******] 1
531 1 128 THR HA 1 129 PHE H . . 3.260 2.068 1.947 2.194 . 0 0 "[ . 1 . 2]" 1
532 1 128 THR HA 1 137 ALA HA . . 3.230 6.569 5.885 7.308 4.078 5 20 [****+****-**********] 1
533 1 128 THR HA 1 138 LEU H . . 3.800 6.227 5.686 6.495 2.695 2 20 [*+*******-**********] 1
534 1 129 PHE H 1 130 ALA H . . 4.920 4.253 4.187 4.310 . 0 0 "[ . 1 . 2]" 1
535 1 129 PHE H 1 136 VAL H . . 4.020 9.767 9.022 10.646 6.626 5 20 [****+***********-***] 1
536 1 129 PHE H 1 137 ALA HA . . 3.910 5.161 4.692 5.699 1.789 5 20 [****+-**************] 1
537 1 129 PHE H 1 138 LEU H . . 4.520 4.661 4.168 5.067 0.547 7 1 "[ . + 1 . 2]" 1
538 1 129 PHE HA 1 130 ALA H . . 3.550 2.135 2.091 2.189 . 0 0 "[ . 1 . 2]" 1
539 1 130 ALA H 1 131 GLY H . . 4.490 4.284 4.224 4.418 . 0 0 "[ . 1 . 2]" 1
540 1 130 ALA HA 1 131 GLY H . . 3.590 2.105 1.906 2.459 . 0 0 "[ . 1 . 2]" 1
541 1 131 GLY H 1 134 CYS H . . 4.130 5.272 4.692 6.101 1.971 5 20 [**-*+***************] 1
542 1 132 ASP H 1 133 THR H . . 4.600 2.498 2.231 2.697 . 0 0 "[ . 1 . 2]" 1
543 1 132 ASP H 1 134 CYS H . . 4.630 4.264 3.981 4.744 0.114 4 0 "[ . 1 . 2]" 1
544 1 133 THR H 1 134 CYS H . . 3.520 2.323 2.086 2.915 . 0 0 "[ . 1 . 2]" 1
545 1 134 CYS H 1 135 GLN H . . 4.880 2.604 1.983 3.133 . 0 0 "[ . 1 . 2]" 1
546 1 134 CYS HA 1 135 GLN H . . 3.410 3.531 3.478 3.573 0.163 1 0 "[ . 1 . 2]" 1
547 1 134 CYS QB 1 135 GLN H . . 4.860 2.290 1.969 2.726 . 0 0 "[ . 1 . 2]" 1
548 1 136 VAL H 1 137 ALA H . . 4.270 2.600 2.362 2.889 . 0 0 "[ . 1 . 2]" 1
549 1 136 VAL HA 1 137 ALA H . . 3.340 3.381 3.149 3.542 0.202 10 0 "[ . 1 . 2]" 1
550 1 137 ALA HA 1 138 LEU H . . 3.590 2.133 2.079 2.255 . 0 0 "[ . 1 . 2]" 1
551 1 138 LEU H 1 138 LEU HG . . 4.920 3.282 2.268 4.126 . 0 0 "[ . 1 . 2]" 1
552 1 138 LEU H 1 139 ASN H . . 4.990 2.096 1.716 2.363 . 0 0 "[ . 1 . 2]" 1
553 1 138 LEU QB 1 139 ASN H . . 4.560 3.895 3.218 4.136 . 0 0 "[ . 1 . 2]" 1
554 1 138 LEU QB 1 149 PHE QE . . 7.690 16.063 14.511 17.060 9.370 8 20 [*******+***********-] 1
555 1 138 LEU QD 1 139 ASN H . . 7.840 3.429 2.738 4.433 . 0 0 "[ . 1 . 2]" 1
556 1 138 LEU QD 1 149 PHE QD . . 10.250 14.285 12.691 15.329 5.079 18 20 [*-***************+**] 1
557 1 138 LEU HG 1 139 ASN H . . 5.890 4.437 3.830 5.427 . 0 0 "[ . 1 . 2]" 1
558 1 138 LEU HG 1 149 PHE QD . . 6.250 19.035 17.432 21.255 15.005 18 20 [*-***************+**] 1
559 1 138 LEU HG 1 149 PHE QE . . 6.790 17.327 16.014 19.547 12.757 18 20 [*-***************+**] 1
560 1 139 ASN H 1 140 PHE H . . 5.210 4.043 3.918 4.202 . 0 0 "[ . 1 . 2]" 1
561 1 139 ASN HA 1 140 PHE H . . 3.440 2.185 2.131 2.242 . 0 0 "[ . 1 . 2]" 1
562 1 140 PHE HA 1 141 ALA H . . 3.370 2.244 2.157 2.363 . 0 0 "[ . 1 . 2]" 1
563 1 140 PHE HA 1 142 ASN H . . 5.140 6.111 5.763 6.348 1.208 3 20 [**+****-************] 1
564 1 140 PHE QB 1 142 ASN H . . 4.970 5.273 4.333 6.074 1.104 12 6 "[ . -* +* .** 2]" 1
565 1 140 PHE HB2 1 141 ALA H . . 5.320 3.100 2.528 4.190 . 0 0 "[ . 1 . 2]" 1
566 1 140 PHE HB3 1 141 ALA H . . 5.320 3.746 2.659 4.174 . 0 0 "[ . 1 . 2]" 1
567 1 141 ALA H 1 142 ASN H . . 4.490 4.196 3.899 4.319 . 0 0 "[ . 1 . 2]" 1
568 1 142 ASN H 1 143 GLU H . . 5.530 4.484 4.411 4.560 . 0 0 "[ . 1 . 2]" 1
569 1 142 ASN HA 1 144 GLU H . . 4.700 6.267 5.726 6.520 1.820 17 20 [*-**************+***] 1
570 1 142 ASN QB 1 145 GLU H . . 4.420 7.549 6.119 8.526 4.106 5 20 [****+*******-*******] 1
571 1 143 GLU H 1 144 GLU H . . 4.450 4.503 4.344 4.598 0.148 20 0 "[ . 1 . 2]" 1
572 1 143 GLU HA 1 145 GLU H . . 4.850 6.187 3.931 6.501 1.651 6 19 "[* ***+********-*****]" 1
573 1 143 GLU HA 1 146 ALA H . . 3.840 7.419 6.637 8.559 4.719 14 20 [*********-***+******] 1
574 1 143 GLU HA 1 147 LYS H . . 4.270 7.091 5.741 8.045 3.775 6 20 [*-***+**************] 1
575 1 144 GLU H 1 144 GLU QB . . 3.050 2.588 2.369 3.114 0.064 3 0 "[ . 1 . 2]" 1
576 1 144 GLU H 1 145 GLU H . . 2.690 4.386 3.044 4.539 1.849 8 19 "[* **-**+************]" 1
577 1 144 GLU HA 1 147 LYS H . . 3.770 5.719 4.781 6.872 3.102 5 20 [****+*********-*****] 1
578 1 144 GLU HA 1 147 LYS QB . . 4.280 4.672 3.935 5.700 1.420 3 8 "[* +** * * .- *2]" 1
579 1 145 GLU H 1 145 GLU HB2 . . 3.520 2.673 2.290 3.784 0.264 1 0 "[ . 1 . 2]" 1
580 1 145 GLU H 1 145 GLU QB . . 3.330 2.404 2.161 2.987 . 0 0 "[ . 1 . 2]" 1
581 1 145 GLU H 1 145 GLU HB3 . . 3.520 2.880 2.456 3.649 0.129 3 0 "[ . 1 . 2]" 1
582 1 145 GLU HA 1 148 LYS H . . 3.370 8.360 7.630 9.109 5.739 11 20 [**-*******+*********] 1
583 1 145 GLU HA 1 149 PHE H . . 4.520 10.838 9.313 12.135 7.615 5 20 [*-**+***************] 1
584 1 145 GLU QB 1 146 ALA H . . 3.680 2.967 2.061 3.874 0.194 1 0 "[ . 1 . 2]" 1
585 1 145 GLU HB2 1 146 ALA H . . 3.910 3.823 2.101 4.504 0.594 10 3 "[ - . + . * 2]" 1
586 1 145 GLU HB3 1 146 ALA H . . 3.910 3.275 2.161 4.452 0.542 1 1 "[+ . 1 . 2]" 1
587 1 146 ALA H 1 147 LYS H . . 3.520 2.965 1.758 4.006 0.486 5 0 "[ . 1 . 2]" 1
588 1 146 ALA H 1 148 LYS H . . 4.520 6.403 5.673 6.978 2.458 17 20 [**-*************+***] 1
589 1 146 ALA H 1 149 PHE H . . 5.030 9.800 8.245 10.685 5.655 4 20 [**-+****************] 1
590 1 146 ALA HA 1 148 LYS H . . 3.950 5.660 5.372 5.927 1.977 2 20 [*+************-*****] 1
591 1 146 ALA HA 1 149 PHE H . . 3.880 8.464 7.973 9.045 5.165 7 20 [******+***-*********] 1
592 1 146 ALA HA 1 149 PHE QD . . 8.120 10.101 8.873 10.776 2.656 7 20 [******+***-*********] 1
593 1 146 ALA HA 1 149 PHE QE . . 7.040 11.936 10.709 12.779 5.739 2 20 [*+********-*********] 1
594 1 146 ALA HA 1 150 ARG H . . 4.200 11.592 11.121 12.152 7.952 7 20 [******+*******-*****] 1
595 1 146 ALA HA 1 150 ARG QB . . 5.980 11.658 10.782 12.224 6.244 7 20 [******+**********-**] 1
596 1 147 LYS H 1 148 LYS H . . 3.370 4.404 4.235 4.544 1.174 2 20 [*+*******-**********] 1
597 1 147 LYS H 1 149 PHE H . . 4.740 7.129 6.550 7.548 2.808 19 20 [**********-*******+*] 1
598 1 147 LYS H 1 150 ARG H . . 5.170 9.762 9.198 10.221 5.051 2 20 [*+-*****************] 1
599 1 147 LYS HA 1 150 ARG H . . 3.980 7.790 7.171 8.393 4.413 11 20 [**-*******+*********] 1
600 1 147 LYS HA 1 150 ARG QB . . 4.970 8.141 7.432 8.783 3.813 11 20 [**-*******+*********] 1
601 1 148 LYS H 1 149 PHE H . . 3.550 4.480 4.348 4.607 1.057 13 20 [*-**********+*******] 1
602 1 148 LYS H 1 150 ARG H . . 4.420 6.307 5.843 6.968 2.548 11 20 [*****-****+*********] 1
603 1 148 LYS HA 1 151 LYS QB . . 3.730 9.231 8.487 9.611 5.881 12 20 [***********+*-******] 1
604 1 149 PHE H 1 150 ARG H . . 3.620 4.591 4.468 4.676 1.056 7 20 [******+************-] 1
605 1 149 PHE H 1 151 LYS H . . 4.520 6.703 6.247 7.234 2.714 9 20 [********+*****-*****] 1
606 1 149 PHE HA 1 151 LYS H . . 4.520 6.068 5.793 6.344 1.824 9 20 [********+*****-*****] 1
607 1 149 PHE HA 1 153 VAL H . . 4.520 10.585 10.137 10.992 6.472 11 20 [*****-****+*********] 1
608 1 149 PHE QD 1 150 ARG H . . 7.730 2.958 2.611 3.489 . 0 0 "[ . 1 . 2]" 1
609 1 149 PHE QE 1 150 ARG H . . 8.120 4.103 3.823 4.523 . 0 0 "[ . 1 . 2]" 1
610 1 150 ARG H 1 151 LYS H . . 3.770 4.287 4.112 4.471 0.701 2 12 "[ +********- *. *]" 1
611 1 150 ARG HA 1 151 LYS H . . 3.590 2.154 2.046 2.239 . 0 0 "[ . 1 . 2]" 1
612 1 150 ARG HA 1 153 VAL H . . 3.660 7.524 7.098 7.916 4.256 20 20 [*******-***********+] 1
613 1 150 ARG HA 1 154 THR H . . 4.160 10.395 8.066 11.746 7.586 7 20 [******+****-********] 1
614 1 151 LYS H 1 151 LYS QB . . 3.120 2.860 2.515 3.123 0.003 1 0 "[ . 1 . 2]" 1
615 1 151 LYS HA 1 154 THR H . . 4.380 6.670 4.214 7.709 3.329 7 19 "[******+**** *****-**]" 1
616 1 151 LYS HA 1 155 ASP H . . 4.160 6.999 6.138 7.715 3.555 5 20 [**-*+***************] 1
617 1 152 ALA HA 1 155 ASP H . . 4.090 7.798 7.261 8.154 4.064 5 20 [**-*+***************] 1
618 1 152 ALA HA 1 155 ASP QB . . 3.630 9.339 7.788 10.119 6.489 7 20 [******+*********-***] 1
619 1 152 ALA HA 1 156 LEU H . . 4.310 7.160 6.929 7.315 3.005 20 20 [*********-*********+] 1
620 1 153 VAL H 1 154 THR H . . 3.620 4.008 2.108 4.451 0.831 7 16 "[ ***.*+-*** ***** **]" 1
621 1 153 VAL H 1 155 ASP H . . 4.490 4.523 3.833 4.740 0.250 5 0 "[ . 1 . 2]" 1
622 1 153 VAL H 1 155 ASP QB . . 5.550 6.334 4.828 7.052 1.502 7 14 "[* -* +**** **** * *]" 1
623 1 153 VAL HA 1 156 LEU H . . 4.310 4.468 2.899 5.720 1.410 18 4 "[ . 1*- . *+ 2]" 1
624 1 153 VAL HA 1 156 LEU QB . . 4.020 4.914 4.230 5.944 1.924 17 16 "[ * -.* *********+***]" 1
625 1 153 VAL HA 1 157 LEU H . . 4.700 7.829 5.800 8.954 4.254 18 20 [-****************+**] 1
626 1 154 THR H 1 155 ASP H . . 3.520 2.474 1.727 3.568 0.048 12 0 "[ . 1 . 2]" 1
627 1 154 THR H 1 156 LEU H . . 5.100 3.790 1.895 4.592 . 0 0 "[ . 1 . 2]" 1
628 1 155 ASP H 1 155 ASP QB . . 3.230 2.824 2.272 3.473 0.243 1 0 "[ . 1 . 2]" 1
629 1 155 ASP H 1 156 LEU H . . 3.620 2.221 1.523 2.511 . 0 0 "[ . 1 . 2]" 1
630 1 155 ASP H 1 157 LEU H . . 4.490 6.351 5.637 6.642 2.152 2 20 [*+-*****************] 1
631 1 155 ASP HA 1 157 LEU H . . 4.520 6.006 5.784 6.323 1.803 6 20 [*****+****-*********] 1
632 1 155 ASP HA 1 158 GLY H . . 3.980 9.336 8.769 9.880 5.900 17 20 [*********-******+***] 1
633 1 155 ASP QB 1 156 LEU H . . 3.300 3.427 2.145 3.998 0.698 14 6 "[ . * 1* *+.* - 2]" 1
634 1 156 LEU H 1 156 LEU QB . . 3.370 2.534 2.279 2.724 . 0 0 "[ . 1 . 2]" 1
635 1 156 LEU H 1 157 LEU H . . 3.590 4.255 4.090 4.463 0.873 6 20 [*****+***********-**] 1
636 1 156 LEU H 1 158 GLY H . . 5.240 6.914 6.557 7.260 2.020 19 20 [***-**************+*] 1
637 1 156 LEU HA 1 157 LEU H . . 3.620 2.182 2.115 2.261 . 0 0 "[ . 1 . 2]" 1
638 1 156 LEU HA 1 159 ARG QB . . 4.540 8.777 8.012 9.731 5.191 10 20 [******-**+**********] 1
639 1 156 LEU QB 1 157 LEU H . . 3.700 3.782 3.641 3.871 0.171 19 0 "[ . 1 . 2]" 1
640 1 156 LEU QB 1 158 GLY H . . 5.510 6.149 5.943 6.408 0.898 7 17 "[*-* **+******** * **]" 1
641 1 157 LEU H 1 157 LEU HB2 . . 3.700 2.577 2.463 2.685 . 0 0 "[ . 1 . 2]" 1
642 1 157 LEU H 1 157 LEU QB . . 3.410 2.533 2.427 2.632 . 0 0 "[ . 1 . 2]" 1
643 1 157 LEU H 1 157 LEU HB3 . . 3.700 3.723 3.644 3.790 0.090 11 0 "[ . 1 . 2]" 1
644 1 157 LEU QB 1 158 GLY H . . 3.890 2.693 2.597 2.840 . 0 0 "[ . 1 . 2]" 1
645 1 157 LEU HB2 1 158 GLY H . . 4.200 3.860 3.773 3.958 . 0 0 "[ . 1 . 2]" 1
646 1 157 LEU HB3 1 158 GLY H . . 4.200 2.749 2.640 2.911 . 0 0 "[ . 1 . 2]" 1
647 1 158 GLY H 1 159 ARG H . . 3.440 4.339 4.227 4.485 1.045 12 20 [*****-*****+********] 1
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