NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598840 |
2myf   |
25449 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myf
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 1253
_Distance_constraint_stats_list.Viol_count 17309
_Distance_constraint_stats_list.Viol_total 197799.281
_Distance_constraint_stats_list.Viol_max 4.581
_Distance_constraint_stats_list.Viol_rms 0.5209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3947
_Distance_constraint_stats_list.Viol_average_violations_only 0.5714
_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 2 SER 0.961 0.205 17 0 "[ . 1 . 2]"
1 3 HIS 2.766 0.242 20 0 "[ . 1 . 2]"
1 4 MET 36.771 3.160 19 20 [*-****************+*]
1 5 SER 62.695 3.160 19 20 [******-***********+*]
1 6 ASP 93.708 4.579 3 20 [**+**************-**]
1 7 ASN 223.606 4.581 15 20 [**************+**-**]
1 8 ASN 34.255 1.329 6 18 "[*****+******-***** 2]"
1 9 ALA 193.850 2.792 11 20 [**********+**-******]
1 10 THR 162.983 1.887 14 20 [*************+***-**]
1 11 ASP 157.723 2.320 14 20 [************-+******]
1 12 ILE 321.597 2.177 2 20 [*+***********-******]
1 13 LEU 418.886 2.288 11 20 [**********+**-******]
1 14 PHE 251.543 1.937 7 20 [-*****+*************]
1 15 VAL 265.579 2.564 6 20 [*****+*******-******]
1 16 GLY 142.876 2.321 5 20 [****+********-******]
1 17 GLY 89.082 1.596 2 20 [*+*****************-]
1 18 ILE 361.762 4.098 17 20 [***************-+***]
1 19 ASP 118.118 2.090 19 20 [**********-*******+*]
1 20 GLU 104.526 1.648 10 20 [*********+-*********]
1 21 THR 110.792 1.877 13 20 [******-*****+*******]
1 22 ILE 236.142 2.041 7 20 [******+***-*********]
1 23 ASP 70.740 1.091 8 20 [*******+***********-]
1 24 GLU 175.070 1.655 4 20 [***+******-*********]
1 25 LYS 271.747 3.137 20 20 [*-*****************+]
1 26 SER 196.606 2.388 17 20 [************-***+***]
1 27 LEU 258.914 1.882 4 20 [***+****************]
1 28 TYR 335.127 2.586 2 20 [*+***********-******]
1 29 ASP 134.263 1.596 14 20 [*******-*****+******]
1 30 ILE 264.300 1.709 8 20 [*******+*****-******]
1 31 PHE 217.995 1.401 9 20 [********+***********]
1 32 SER 164.763 2.040 16 20 [****-**********+****]
1 33 SER 56.021 1.227 15 20 [******-*******+*****]
1 34 PHE 77.743 1.565 12 20 [***********+********]
1 35 GLY 71.222 1.573 8 20 [-******+************]
1 36 ASP 110.070 1.420 12 20 [***********+*****-**]
1 37 ILE 520.054 2.040 16 20 [****-**********+****]
1 38 ARG 292.038 1.746 7 20 [******+********-****]
1 39 ASN 195.390 1.571 13 20 [*******-****+*******]
1 40 ILE 375.298 2.586 2 20 [*+****************-*]
1 41 GLU 248.404 2.316 12 20 [*********-*+********]
1 42 VAL 200.771 2.154 16 20 [**********-****+****]
1 43 PRO 190.923 2.154 16 20 [**-************+****]
1 44 LEU 316.909 2.271 17 20 [**-*************+***]
1 45 ASN 251.577 2.010 2 20 [*+***************-**]
1 46 MET 118.552 1.941 14 20 [************-+******]
1 47 THR 88.353 1.869 1 20 [+*****-*************]
1 48 THR 98.213 2.010 2 20 [*+*****-************]
1 49 LYS 149.558 1.528 1 20 [+******-************]
1 50 LYS 203.330 2.256 16 20 [********-******+****]
1 51 ASN 372.602 2.435 17 20 [***************-+***]
1 52 ARG 138.190 2.229 11 20 [*******-**+*********]
1 53 GLY 71.246 1.218 7 20 [******+*************]
1 54 PHE 260.546 2.085 2 20 [-+******************]
1 55 ALA 195.636 1.596 2 20 [-+******************]
1 56 PHE 291.602 2.316 12 20 [***********+*-******]
1 57 VAL 436.584 2.564 6 20 [*****+************-*]
1 58 GLU 272.289 1.778 17 20 [*******-********+***]
1 59 TYR 570.039 2.329 12 20 [***********+-*******]
1 60 VAL 350.414 2.137 20 20 [*********-*********+]
1 61 GLU 297.533 2.329 12 20 [*****-*****+********]
1 62 VAL 254.128 1.921 15 20 [**************+**-**]
1 63 ASP 142.253 1.614 13 20 [************+****-**]
1 64 ASP 167.534 2.469 13 20 [******-*****+*******]
1 65 ALA 317.334 2.469 13 20 [**********-*+*******]
1 66 LYS 213.124 1.673 5 20 [****+-**************]
1 67 HIS 112.188 1.370 18 20 [***********-*****+**]
1 68 ALA 141.965 1.976 17 20 [***********-****+***]
1 69 LEU 356.347 2.288 11 20 [**********+****-****]
1 70 TYR 108.446 1.657 3 20 [*-+*****************]
1 71 ASN 78.025 1.123 20 20 [*******************+]
1 72 MET 131.138 1.255 18 20 [****************-+**]
1 73 ASN 131.133 2.105 7 20 [******+*****-*******]
1 74 ASN 62.117 2.105 7 20 [******+**********-**]
1 75 PHE 95.821 1.384 4 20 [***+*****-**********]
1 76 GLU 261.173 4.098 17 20 [*************-**+***]
1 77 LEU 161.117 2.111 4 20 [***+-***************]
1 78 ASN 108.826 1.805 3 20 [**+*-***************]
1 79 GLY 77.577 1.938 1 20 [+*******-***********]
1 80 LYS 176.661 2.437 13 20 [********-***+*******]
1 81 ARG 158.729 2.608 1 20 [+*******-***********]
1 82 ILE 238.813 2.608 1 20 [+****-**************]
1 83 HIS 118.411 1.459 17 20 [*****-**********+***]
1 84 VAL 258.822 1.777 6 20 [*****+**********-***]
1 85 ASN 259.065 4.581 15 20 [***********-**+*****]
1 86 TYR 368.942 3.046 2 20 [*+******************]
1 87 SER 218.275 2.177 2 20 [*+******************]
1 88 LYS 128.436 1.952 9 20 [********+***********]
1 89 THR 70.721 1.945 20 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 2 SER HA 1 3 HIS HB2 5.290 4.760 5.820 4.862 4.555 5.366 0.205 17 0 "[ . 1 . 2]" 1
2 1 2 SER QB 1 3 HIS HB2 3.800 3.420 4.180 3.797 3.404 4.242 0.062 14 0 "[ . 1 . 2]" 1
3 1 3 HIS HB2 1 83 HIS HD2 4.620 4.160 5.080 4.710 3.972 5.322 0.242 20 0 "[ . 1 . 2]" 1
4 1 3 HIS HB3 1 83 HIS HD2 4.780 4.300 5.260 5.017 4.095 5.430 0.205 20 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 4 MET HG2 3.700 3.330 4.070 3.282 2.388 3.774 0.942 13 2 "[ - . 1 + . 2]" 1
6 1 4 MET QB 1 5 SER H 5.470 4.920 6.020 3.285 1.760 4.108 3.160 19 20 [*-****************+*] 1
7 1 5 SER H 1 6 ASP H 4.480 4.030 4.930 4.041 3.612 4.444 0.418 4 0 "[ . 1 . 2]" 1
8 1 5 SER HA 1 6 ASP HB3 4.960 4.460 5.460 4.881 4.517 5.258 . 0 0 "[ . 1 . 2]" 1
9 1 5 SER QB 1 6 ASP H 5.380 4.840 5.920 3.453 1.926 4.115 2.914 4 20 [***+**-*************] 1
10 1 6 ASP H 1 7 ASN H 3.510 3.160 3.860 3.258 1.640 4.096 1.520 4 1 "[ +. 1 . 2]" 1
11 1 6 ASP H 1 85 ASN QB 4.410 3.970 4.850 6.618 2.656 9.429 4.579 3 17 "[**+**-******* **** 2]" 1
12 1 6 ASP HA 1 7 ASN H 3.570 3.210 3.930 2.943 2.114 3.748 1.096 20 8 "[* * . ** 1 - .** +]" 1
13 1 6 ASP HA 1 7 ASN QD 5.500 4.950 6.050 4.530 3.752 5.584 1.198 13 10 "[ ** . ** ** + .**- 2]" 1
14 1 6 ASP HB2 1 7 ASN H 4.440 4.000 4.880 4.134 3.543 4.776 0.457 18 0 "[ . 1 . 2]" 1
15 1 7 ASN H 1 7 ASN QB 3.990 3.590 4.390 3.319 2.862 3.509 0.728 4 2 "[ +. 1 -. 2]" 1
16 1 7 ASN H 1 9 ALA H 5.060 4.550 5.570 4.903 4.291 5.529 0.259 15 0 "[ . 1 . 2]" 1
17 1 7 ASN H 1 85 ASN QB 4.090 3.680 4.500 7.096 4.906 9.066 4.566 7 19 [******+******-*****2] 1
18 1 7 ASN H 1 85 ASN QD 5.500 4.950 6.050 7.236 3.594 10.312 4.262 11 14 "[ ** .** **+** **-* *]" 1
19 1 7 ASN QB 1 9 ALA H 3.320 2.990 3.650 3.085 2.750 3.727 0.240 10 0 "[ . 1 . 2]" 1
20 1 7 ASN QD 1 9 ALA H 4.600 4.140 5.060 3.841 2.751 4.740 1.389 17 6 "[ **. * 1 .*+ -]" 1
21 1 7 ASN QD 1 85 ASN QB 4.270 4.140 4.700 5.707 3.766 9.281 4.581 15 12 "[ ***. ** 1 ***+ ** -]" 1
22 1 7 ASN QD 1 86 TYR H 5.370 4.950 5.910 4.590 2.343 7.820 2.607 19 11 "[* *** *** **- +2]" 1
23 1 7 ASN QD 1 86 TYR QB 5.490 4.940 6.040 3.257 1.907 5.389 3.033 6 17 "[**-**+ ****** .*****]" 1
24 1 7 ASN QD 1 86 TYR QD 5.500 4.950 6.050 3.966 1.904 6.547 3.046 2 10 "[ + *** *1 * *- **2]" 1
25 1 8 ASN H 1 8 ASN QB 3.820 3.440 4.200 2.443 2.111 3.015 1.329 6 18 "[*****+******-***** 2]" 1
26 1 8 ASN H 1 9 ALA H 3.520 3.170 3.870 2.985 2.695 3.211 0.475 19 0 "[ . 1 . 2]" 1
27 1 8 ASN H 1 9 ALA MB 5.500 4.950 6.050 4.830 4.505 5.144 0.445 7 0 "[ . 1 . 2]" 1
28 1 8 ASN HA 1 8 ASN QB 2.970 2.670 3.270 2.419 2.207 2.541 0.463 19 0 "[ . 1 . 2]" 1
29 1 8 ASN HA 1 9 ALA MB 4.740 4.270 5.210 4.377 3.975 4.845 0.295 18 0 "[ . 1 . 2]" 1
30 1 9 ALA H 1 9 ALA MB 3.360 3.020 3.700 2.683 2.230 3.118 0.790 11 9 "[* * . -* *+ .** *]" 1
31 1 9 ALA H 1 69 LEU QD 5.500 4.950 6.050 4.456 3.449 6.831 1.501 16 13 "[*-* . **** **.+***2]" 1
32 1 9 ALA HA 1 10 THR H 3.300 2.970 3.630 2.252 2.114 2.378 0.856 11 20 [-*********+*********] 1
33 1 9 ALA HA 1 10 THR MG 4.550 4.090 5.010 3.999 3.782 4.100 0.308 20 0 "[ . 1 . 2]" 1
34 1 9 ALA HA 1 86 TYR QB 4.750 4.280 5.220 3.225 2.570 4.886 1.710 19 17 "[********** * **-**+2]" 1
35 1 9 ALA HA 1 86 TYR QD 4.620 4.160 5.080 2.535 2.057 4.234 2.103 16 17 "[****-***** * **+***2]" 1
36 1 9 ALA HA 1 86 TYR QE 3.980 3.580 4.380 3.601 3.100 5.596 1.216 13 3 "[ . 1* + . -]" 1
37 1 9 ALA MB 1 10 THR H 3.750 3.370 4.130 3.483 3.128 3.653 0.242 20 0 "[ . 1 . 2]" 1
38 1 9 ALA MB 1 12 ILE HB 4.670 4.200 5.140 4.016 2.341 4.763 1.859 20 2 "[ . 1- . +]" 1
39 1 9 ALA MB 1 66 LYS HA 5.400 4.860 5.940 4.326 3.406 6.557 1.454 15 17 "[********** * -+ ****]" 1
40 1 9 ALA MB 1 66 LYS QE 4.780 4.300 5.260 4.583 4.143 5.377 0.157 17 0 "[ . 1 . 2]" 1
41 1 9 ALA MB 1 66 LYS QG 3.950 3.550 4.350 4.212 3.491 5.122 0.772 20 3 "[ . 1- * . +]" 1
42 1 9 ALA MB 1 86 TYR QD 5.090 4.580 5.600 2.276 1.788 2.595 2.792 11 20 [-*********+*********] 1
43 1 9 ALA MB 1 86 TYR QE 4.390 3.950 4.830 3.959 3.485 4.220 0.465 11 0 "[ . 1 . 2]" 1
44 1 10 THR H 1 10 THR MG 3.980 3.580 4.380 2.131 2.072 2.204 1.508 20 20 [*-*****************+] 1
45 1 10 THR H 1 11 ASP H 4.640 4.180 5.100 4.523 4.452 4.641 . 0 0 "[ . 1 . 2]" 1
46 1 10 THR H 1 12 ILE H 5.420 4.880 5.960 4.423 4.009 4.751 0.871 16 5 "[ . * 1 **+ - 2]" 1
47 1 10 THR H 1 12 ILE MG 5.500 4.950 6.050 6.058 5.661 6.385 0.335 18 0 "[ . 1 . 2]" 1
48 1 10 THR H 1 66 LYS QG 5.500 4.950 6.050 5.841 5.163 6.096 0.046 16 0 "[ . 1 . 2]" 1
49 1 10 THR H 1 86 TYR QD 4.440 4.000 4.880 3.971 3.677 5.070 0.323 2 0 "[ . 1 . 2]" 1
50 1 10 THR H 1 87 SER H 5.460 4.910 6.010 6.268 5.777 6.442 0.432 6 0 "[ . 1 . 2]" 1
51 1 10 THR HA 1 10 THR MG 3.570 3.210 3.930 3.244 3.203 3.266 0.007 13 0 "[ . 1 . 2]" 1
52 1 10 THR HA 1 11 ASP H 3.170 2.850 3.490 2.256 2.155 2.505 0.695 10 17 "[****-****+ * ******2]" 1
53 1 10 THR HA 1 12 ILE H 4.340 3.910 4.770 4.001 3.804 4.180 0.106 13 0 "[ . 1 . 2]" 1
54 1 10 THR HA 1 62 VAL QG 4.570 4.110 4.830 3.933 3.769 4.167 0.341 15 0 "[ . 1 . 2]" 1
55 1 10 THR HA 1 65 ALA MB 5.090 4.580 5.600 3.469 2.693 4.359 1.887 14 17 "[****-***** * +*****2]" 1
56 1 10 THR HA 1 66 LYS H 4.200 3.780 4.620 4.910 4.704 5.677 1.057 20 3 "[ . 1- * . +]" 1
57 1 10 THR HB 1 62 VAL QG 5.200 4.680 5.720 3.460 3.246 3.717 1.434 3 20 [**+******-**********] 1
58 1 10 THR HB 1 66 LYS QG 4.950 4.460 5.440 5.326 4.681 5.588 0.148 3 0 "[ . 1 . 2]" 1
59 1 10 THR MG 1 11 ASP H 4.490 4.040 4.940 4.087 3.866 4.176 0.174 11 0 "[ . 1 . 2]" 1
60 1 10 THR MG 1 12 ILE H 4.200 3.780 4.620 4.610 4.306 4.797 0.177 11 0 "[ . 1 . 2]" 1
61 1 10 THR MG 1 12 ILE HB 4.670 4.200 5.140 4.944 4.654 5.275 0.135 20 0 "[ . 1 . 2]" 1
62 1 10 THR MG 1 12 ILE MD 3.790 3.410 4.170 3.667 3.331 4.156 0.079 20 0 "[ . 1 . 2]" 1
63 1 10 THR MG 1 62 VAL QG 3.870 3.480 4.260 3.841 3.460 4.107 0.020 11 0 "[ . 1 . 2]" 1
64 1 10 THR MG 1 86 TYR QD 4.280 3.850 4.710 5.071 4.667 6.174 1.464 11 3 "[ . 1+ * . -]" 1
65 1 10 THR MG 1 86 TYR QE 5.270 4.740 5.800 4.072 3.356 6.283 1.384 2 16 "[*+*****-** * ** ***2]" 1
66 1 11 ASP H 1 12 ILE H 3.580 3.220 3.940 3.048 2.855 3.140 0.365 11 0 "[ . 1 . 2]" 1
67 1 11 ASP H 1 12 ILE HG12 5.500 4.950 6.050 6.451 6.370 6.547 0.497 6 0 "[ . 1 . 2]" 1
68 1 11 ASP H 1 59 TYR QB 4.870 4.380 5.360 4.590 4.353 4.850 0.027 19 0 "[ . 1 . 2]" 1
69 1 11 ASP H 1 62 VAL HB 5.400 4.860 5.940 3.448 3.277 3.572 1.583 13 20 [************+****-**] 1
70 1 11 ASP H 1 62 VAL QG . 4.530 4.650 4.027 3.894 4.135 0.636 13 11 "[* ** **1* +*-** 2]" 1
71 1 11 ASP H 1 65 ALA MB 5.120 4.610 5.630 2.729 2.290 3.151 2.320 14 20 [************-+******] 1
72 1 11 ASP HA 1 12 ILE HA 4.450 4.010 4.890 4.602 4.498 4.669 . 0 0 "[ . 1 . 2]" 1
73 1 11 ASP HA 1 62 VAL HA 3.520 3.170 3.870 3.909 3.723 4.017 0.147 18 0 "[ . 1 . 2]" 1
74 1 11 ASP HA 1 62 VAL QG . 4.660 4.720 4.526 4.304 4.616 0.356 11 0 "[ . 1 . 2]" 1
75 1 11 ASP HA 1 65 ALA H 5.430 4.890 5.970 5.624 5.040 5.907 . 0 0 "[ . 1 . 2]" 1
76 1 11 ASP HA 1 65 ALA MB 3.590 3.230 3.950 3.125 3.035 3.237 0.195 5 0 "[ . 1 . 2]" 1
77 1 11 ASP QB 1 12 ILE H 5.500 4.950 6.050 4.154 4.119 4.182 0.831 18 20 [*****************+*-] 1
78 1 11 ASP QB 1 12 ILE MD 5.380 4.840 5.920 4.525 4.220 4.783 0.620 14 3 "[ . -1 +* 2]" 1
79 1 11 ASP QB 1 12 ILE HG12 5.460 4.910 6.010 5.049 4.574 5.330 0.336 14 0 "[ . 1 . 2]" 1
80 1 11 ASP QB 1 59 TYR H 5.500 4.950 6.050 4.362 3.932 4.605 1.018 5 18 "[****+** ****-***** *]" 1
81 1 11 ASP QB 1 62 VAL H 5.500 4.950 6.050 5.013 4.770 5.210 0.180 14 0 "[ . 1 . 2]" 1
82 1 11 ASP QB 1 62 VAL HA 4.270 3.840 4.630 3.750 3.420 4.173 0.420 14 0 "[ . 1 . 2]" 1
83 1 11 ASP QB 1 65 ALA MB 5.500 4.950 5.540 4.221 4.133 4.274 0.817 5 20 [*-**+***************] 1
84 1 12 ILE H 1 12 ILE HB 3.780 3.400 4.160 3.004 2.805 3.078 0.595 16 2 "[ . 1 - .+ 2]" 1
85 1 12 ILE H 1 12 ILE MD 4.330 3.900 4.760 4.077 3.731 4.306 0.169 20 0 "[ . 1 . 2]" 1
86 1 12 ILE H 1 12 ILE HG12 4.410 3.970 4.850 4.259 4.084 4.398 . 0 0 "[ . 1 . 2]" 1
87 1 12 ILE H 1 12 ILE MG 4.140 3.730 4.550 4.009 3.934 4.048 . 0 0 "[ . 1 . 2]" 1
88 1 12 ILE H 1 13 LEU H 5.040 4.540 5.540 4.184 4.121 4.268 0.419 9 0 "[ . 1 . 2]" 1
89 1 12 ILE H 1 13 LEU HA 5.500 4.950 6.050 4.722 4.645 4.862 0.305 13 0 "[ . 1 . 2]" 1
90 1 12 ILE H 1 58 GLU QG 5.500 4.950 6.050 5.634 5.233 6.159 0.109 2 0 "[ . 1 . 2]" 1
91 1 12 ILE H 1 59 TYR QB 5.500 4.950 6.050 4.941 4.729 5.353 0.221 1 0 "[ . 1 . 2]" 1
92 1 12 ILE H 1 65 ALA MB 5.460 4.910 6.010 3.931 3.335 4.486 1.575 17 19 "[*************** +-**]" 1
93 1 12 ILE H 1 87 SER H 5.500 4.950 6.050 5.665 5.135 6.151 0.101 15 0 "[ . 1 . 2]" 1
94 1 12 ILE HA 1 12 ILE MD 4.160 3.740 4.580 3.958 3.930 4.012 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE HA 1 12 ILE HG12 3.280 2.950 3.610 2.747 2.641 2.864 0.309 16 0 "[ . 1 . 2]" 1
96 1 12 ILE HA 1 12 ILE MG 3.880 3.490 4.270 2.448 2.376 2.612 1.114 12 20 [***********+-*******] 1
97 1 12 ILE HA 1 13 LEU HA 4.390 3.950 4.830 4.437 4.379 4.560 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE HA 1 13 LEU QD 4.030 3.630 4.430 3.820 3.648 4.050 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE HA 1 58 GLU HA 3.330 3.000 3.660 3.164 2.996 3.368 0.004 19 0 "[ . 1 . 2]" 1
100 1 12 ILE HA 1 58 GLU QG 5.340 4.810 5.610 3.816 3.453 4.200 1.357 5 20 [*-**+***************] 1
101 1 12 ILE HA 1 59 TYR H 5.500 4.950 6.050 4.149 3.814 4.613 1.136 14 18 "[** *.******-*+******]" 1
102 1 12 ILE HB 1 12 ILE MD 3.860 3.470 4.250 2.440 2.364 2.548 1.106 9 20 [********+******-****] 1
103 1 12 ILE HB 1 13 LEU H 4.910 4.420 5.400 4.374 4.252 4.512 0.168 19 0 "[ . 1 . 2]" 1
104 1 12 ILE HB 1 13 LEU QD 3.960 3.560 4.360 4.449 4.335 4.645 0.285 16 0 "[ . 1 . 2]" 1
105 1 12 ILE HB 1 87 SER H 5.500 4.950 6.050 3.480 2.773 4.789 2.177 2 18 "[*+********** -* ****]" 1
106 1 12 ILE HB 1 87 SER QB 4.080 3.670 4.490 3.905 3.512 4.397 0.158 13 0 "[ . 1 . 2]" 1
107 1 12 ILE MD 1 12 ILE MG 3.270 2.940 3.600 2.465 2.213 2.585 0.727 16 5 "[ *. * 1 .+-* 2]" 1
108 1 12 ILE MD 1 13 LEU H 5.410 4.870 5.950 5.503 5.417 5.675 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE MD 1 58 GLU QG 5.000 4.500 5.220 4.578 4.249 4.775 0.251 13 0 "[ . 1 . 2]" 1
110 1 12 ILE MD 1 87 SER QB 4.660 4.190 5.130 4.317 4.081 4.700 0.109 17 0 "[ . 1 . 2]" 1
111 1 12 ILE MD 1 89 THR HA 5.230 4.710 5.750 4.683 4.329 5.373 0.381 20 0 "[ . 1 . 2]" 1
112 1 12 ILE HG12 1 58 GLU HA 5.310 4.780 5.840 4.755 4.488 5.004 0.292 14 0 "[ . 1 . 2]" 1
113 1 12 ILE HG12 1 58 GLU QG 4.020 3.620 4.420 3.590 3.188 3.834 0.432 14 0 "[ . 1 . 2]" 1
114 1 12 ILE HG12 1 59 TYR H 5.160 4.640 5.680 5.809 5.311 6.008 0.328 19 0 "[ . 1 . 2]" 1
115 1 12 ILE HG13 1 13 LEU H 5.380 4.840 5.920 4.973 4.854 5.145 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE HG13 1 58 GLU HA 4.630 4.170 5.090 5.160 4.941 5.362 0.272 8 0 "[ . 1 . 2]" 1
117 1 12 ILE HG13 1 59 TYR H 5.500 4.950 6.050 5.527 5.164 5.828 . 0 0 "[ . 1 . 2]" 1
118 1 12 ILE HG13 1 87 SER QB 5.040 4.540 5.540 5.721 5.555 5.843 0.303 15 0 "[ . 1 . 2]" 1
119 1 12 ILE HG13 1 89 THR MG 3.330 3.000 3.660 3.906 3.742 4.176 0.516 4 1 "[ +. 1 . 2]" 1
120 1 12 ILE MG 1 13 LEU H 3.940 3.550 4.330 2.887 2.585 3.139 0.965 11 15 "[******** *+* -. ***2]" 1
121 1 12 ILE MG 1 14 PHE QB 4.280 3.850 4.710 4.279 3.694 4.754 0.156 6 0 "[ . 1 . 2]" 1
122 1 12 ILE MG 1 56 PHE HA 4.950 4.460 5.440 5.350 5.071 5.647 0.207 13 0 "[ . 1 . 2]" 1
123 1 12 ILE MG 1 56 PHE QB 5.060 4.550 5.570 4.576 4.386 5.104 0.164 8 0 "[ . 1 . 2]" 1
124 1 12 ILE MG 1 56 PHE QD 4.170 3.750 4.590 4.516 3.763 5.016 0.426 7 0 "[ . 1 . 2]" 1
125 1 12 ILE MG 1 56 PHE QE 5.500 4.950 6.050 5.447 4.561 6.070 0.389 13 0 "[ . 1 . 2]" 1
126 1 12 ILE MG 1 57 VAL H 5.050 4.540 5.560 4.536 4.254 4.847 0.286 11 0 "[ . 1 . 2]" 1
127 1 12 ILE MG 1 58 GLU HA 4.530 4.080 4.980 4.483 4.148 4.721 . 0 0 "[ . 1 . 2]" 1
128 1 12 ILE MG 1 58 GLU QG 5.340 4.810 5.870 4.227 3.334 4.382 1.476 14 13 "[ * * ***** +** **-]" 1
129 1 12 ILE MG 1 59 TYR H 5.500 4.950 6.050 5.804 5.436 6.101 0.051 3 0 "[ . 1 . 2]" 1
130 1 12 ILE MG 1 87 SER H 4.240 3.820 4.660 2.978 2.110 4.149 1.710 17 12 "[******* * * - + *2]" 1
131 1 12 ILE MG 1 87 SER QB 3.680 3.310 4.050 2.015 1.862 2.279 1.448 7 20 [******+*****-*******] 1
132 1 12 ILE MG 1 89 THR H 5.500 4.950 6.050 4.877 3.005 5.827 1.945 20 1 "[ . 1 . +]" 1
133 1 12 ILE MG 1 89 THR HB 5.170 4.650 5.690 4.708 2.964 5.266 1.686 16 1 "[ . 1 .+ 2]" 1
134 1 12 ILE MG 1 89 THR MG 2.780 2.500 3.060 2.548 2.133 3.271 0.367 20 0 "[ . 1 . 2]" 1
135 1 13 LEU H 1 13 LEU QD 4.300 3.870 4.730 3.380 3.132 3.473 0.738 20 6 "[ * *1 **.- +]" 1
136 1 13 LEU H 1 13 LEU HG 4.380 3.940 4.820 4.415 4.030 4.623 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU H 1 56 PHE HA 5.290 4.760 5.820 5.536 5.357 5.849 0.029 6 0 "[ . 1 . 2]" 1
138 1 13 LEU H 1 57 VAL H 4.390 3.950 4.830 3.586 3.497 3.816 0.453 8 0 "[ . 1 . 2]" 1
139 1 13 LEU H 1 57 VAL HB 4.730 4.260 5.200 4.425 3.888 4.777 0.372 14 0 "[ . 1 . 2]" 1
140 1 13 LEU H 1 57 VAL QG 5.280 4.950 5.810 4.335 4.221 4.411 0.729 11 20 [**********+*-*******] 1
141 1 13 LEU H 1 58 GLU HA 3.950 3.550 4.350 3.421 3.261 3.684 0.289 13 0 "[ . 1 . 2]" 1
142 1 13 LEU H 1 58 GLU QG 5.470 4.920 6.020 4.991 4.592 5.267 0.328 5 0 "[ . 1 . 2]" 1
143 1 13 LEU H 1 65 ALA MB 5.420 4.880 5.960 5.950 5.696 6.140 0.180 18 0 "[ . 1 . 2]" 1
144 1 13 LEU HA 1 13 LEU QD 3.780 3.400 4.160 2.155 2.023 2.303 1.377 5 20 [****+********-******] 1
145 1 13 LEU HA 1 14 PHE H 3.360 3.020 3.700 2.431 2.276 2.563 0.744 15 12 "[** *-** * * +* **2]" 1
146 1 13 LEU HA 1 14 PHE QB 4.950 4.460 5.440 4.253 4.155 4.354 0.305 8 0 "[ . 1 . 2]" 1
147 1 13 LEU HA 1 84 VAL QG 4.590 4.130 5.050 4.497 4.011 4.941 0.119 6 0 "[ . 1 . 2]" 1
148 1 13 LEU HA 1 85 ASN H 4.890 4.400 5.380 5.192 4.853 5.593 0.213 6 0 "[ . 1 . 2]" 1
149 1 13 LEU HA 1 86 TYR HA 4.140 3.730 4.550 3.650 3.444 4.542 0.286 5 0 "[ . 1 . 2]" 1
150 1 13 LEU HA 1 87 SER H 4.320 3.890 4.750 4.918 4.234 5.123 0.373 15 0 "[ . 1 . 2]" 1
151 1 13 LEU QB 1 15 VAL H 5.470 4.920 6.020 5.015 4.513 5.582 0.407 11 0 "[ . 1 . 2]" 1
152 1 13 LEU QB 1 15 VAL QG 4.260 3.830 4.690 3.438 3.309 3.611 0.521 19 1 "[ . 1 . +2]" 1
153 1 13 LEU QB 1 57 VAL H 4.600 4.140 5.060 4.107 3.826 4.614 0.314 16 0 "[ . 1 . 2]" 1
154 1 13 LEU QB 1 57 VAL HB 4.130 3.720 4.350 2.971 2.629 3.115 1.091 14 20 [***-*********+******] 1
155 1 13 LEU QD 1 14 PHE H 5.500 4.950 6.050 3.717 3.210 4.146 1.740 8 20 [*******+**-*********] 1
156 1 13 LEU QD 1 57 VAL HB 5.040 4.540 5.540 4.411 4.269 4.574 0.271 16 0 "[ . 1 . 2]" 1
157 1 13 LEU QD 1 59 TYR HA 3.650 3.280 4.020 5.856 5.648 6.115 2.095 15 20 [**************+****-] 1
158 1 13 LEU QD 1 59 TYR QD 5.500 4.950 6.050 4.113 3.700 4.437 1.250 11 20 [**-*******+*********] 1
159 1 13 LEU QD 1 59 TYR QE 3.710 3.340 4.080 4.126 3.488 4.325 0.245 18 0 "[ . 1 . 2]" 1
160 1 13 LEU QD 1 65 ALA MB 4.020 3.870 4.420 2.509 2.104 2.885 1.766 6 20 [*****+***********-**] 1
161 1 13 LEU QD 1 68 ALA MB 4.790 4.780 5.270 3.328 2.804 3.739 1.976 17 20 [**************-*+***] 1
162 1 13 LEU QD 1 69 LEU H 4.910 4.420 5.400 2.898 2.485 3.301 1.935 17 20 [***-************+***] 1
163 1 13 LEU QD 1 69 LEU HA 5.340 4.810 5.870 3.146 2.930 3.342 1.880 18 20 [*******-*********+**] 1
164 1 13 LEU QD 1 69 LEU QD . 4.220 4.470 2.178 1.932 2.358 2.288 11 20 [**********+******-**] 1
165 1 13 LEU QD 1 69 LEU HG 3.950 3.550 4.350 3.825 3.637 3.952 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU QD 1 70 TYR H 5.500 4.950 6.050 4.873 4.623 5.083 0.327 11 0 "[ . 1 . 2]" 1
167 1 13 LEU QD 1 86 TYR H 5.500 4.950 6.050 5.440 5.051 5.656 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU QD 1 86 TYR HA 4.210 3.790 4.630 3.834 3.647 4.028 0.143 20 0 "[ . 1 . 2]" 1
169 1 13 LEU QD 1 86 TYR QD 4.110 3.700 4.520 4.006 3.551 4.551 0.149 15 0 "[ . 1 . 2]" 1
170 1 13 LEU QD 1 87 SER H 5.080 4.570 5.590 5.058 4.254 5.250 0.316 13 0 "[ . 1 . 2]" 1
171 1 13 LEU HG 1 31 PHE QD 4.740 4.270 5.210 5.264 4.957 5.426 0.216 9 0 "[ . 1 . 2]" 1
172 1 13 LEU HG 1 31 PHE QE 4.500 4.050 4.950 5.148 4.956 5.310 0.360 14 0 "[ . 1 . 2]" 1
173 1 13 LEU HG 1 59 TYR QD 5.100 4.590 5.610 3.746 3.382 4.295 1.208 13 19 "[** **-******+*******]" 1
174 1 13 LEU HG 1 59 TYR QE 4.270 3.840 4.700 4.326 4.105 4.523 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HG 1 65 ALA HA 4.000 3.600 4.400 3.967 3.616 4.356 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HG 1 65 ALA MB 4.330 3.900 4.760 3.709 3.565 4.143 0.335 4 0 "[ . 1 . 2]" 1
177 1 13 LEU HG 1 68 ALA MB 3.890 3.500 4.280 4.395 4.252 4.531 0.251 11 0 "[ . 1 . 2]" 1
178 1 13 LEU HG 1 69 LEU H 4.220 3.800 4.640 4.885 4.781 4.946 0.306 20 0 "[ . 1 . 2]" 1
179 1 14 PHE H 1 14 PHE QB 3.660 3.290 4.030 2.125 1.966 2.351 1.324 4 20 [***+*-**************] 1
180 1 14 PHE H 1 14 PHE QD 5.440 4.900 5.980 4.047 3.343 4.240 1.557 4 20 [***+**-*************] 1
181 1 14 PHE H 1 15 VAL H 5.060 4.550 5.570 4.527 4.333 4.605 0.217 6 0 "[ . 1 . 2]" 1
182 1 14 PHE H 1 15 VAL QG 5.500 4.950 6.050 4.932 4.695 5.134 0.255 6 0 "[ . 1 . 2]" 1
183 1 14 PHE H 1 84 VAL QG 5.500 4.950 6.050 4.477 3.370 4.630 1.580 6 3 "[ .+ * 1 . - 2]" 1
184 1 14 PHE H 1 85 ASN H 4.220 3.800 4.640 3.716 3.568 4.246 0.232 7 0 "[ . 1 . 2]" 1
185 1 14 PHE H 1 86 TYR HA 5.140 4.630 5.650 3.458 3.004 4.508 1.626 5 17 "[****+***** * **-***2]" 1
186 1 14 PHE H 1 87 SER H 4.820 4.340 5.300 4.562 4.081 5.109 0.259 13 0 "[ . 1 . 2]" 1
187 1 14 PHE H 1 87 SER QB 4.660 4.190 5.130 4.040 2.830 4.489 1.360 20 3 "[ . 1-* . +]" 1
188 1 14 PHE HA 1 14 PHE QD 4.350 3.910 4.790 3.337 2.802 3.746 1.108 13 8 "[ * * - + ** **2]" 1
189 1 14 PHE HA 1 15 VAL HB 5.130 4.620 5.640 4.976 4.516 5.812 0.172 11 0 "[ . 1 . 2]" 1
190 1 14 PHE HA 1 15 VAL QG 4.940 4.450 5.430 4.000 3.837 4.263 0.613 12 8 "[ **. **+- ** 2]" 1
191 1 14 PHE HA 1 56 PHE HA 3.860 3.470 4.250 2.996 2.708 3.236 0.762 11 7 "[- **. *1+* . *]" 1
192 1 14 PHE QB 1 15 VAL H 5.020 4.520 5.520 3.794 3.477 4.151 1.043 13 13 "[- ** ** * +*** ***]" 1
193 1 14 PHE QB 1 56 PHE HA 4.080 3.670 4.490 4.157 3.432 4.756 0.266 18 0 "[ . 1 . 2]" 1
194 1 14 PHE QB 1 56 PHE QE 4.220 3.800 4.640 4.377 3.696 4.955 0.315 6 0 "[ . 1 . 2]" 1
195 1 14 PHE QB 1 84 VAL QG 5.220 4.700 5.740 4.707 4.407 5.131 0.293 13 0 "[ . 1 . 2]" 1
196 1 14 PHE QB 1 85 ASN H 4.610 4.150 5.070 3.005 2.213 3.922 1.937 7 17 "[*** **+****-* *****2]" 1
197 1 14 PHE QB 1 87 SER H 5.200 4.680 5.720 4.616 4.408 5.323 0.272 8 0 "[ . 1 . 2]" 1
198 1 14 PHE QB 1 87 SER HA 4.530 4.080 4.980 4.034 3.220 4.809 0.860 16 3 "[ . * 1 -.+ 2]" 1
199 1 14 PHE QB 1 87 SER QB 3.780 3.400 4.160 3.295 2.046 3.670 1.354 12 3 "[ .* 1 + . -]" 1
200 1 14 PHE QB 1 88 LYS H 5.500 4.950 6.050 5.532 5.015 6.321 0.271 11 0 "[ . 1 . 2]" 1
201 1 14 PHE QD 1 15 VAL QG 5.500 4.950 6.050 4.894 4.647 5.287 0.303 3 0 "[ . 1 . 2]" 1
202 1 14 PHE QD 1 54 PHE HA 5.170 4.650 5.690 4.951 4.440 5.246 0.210 4 0 "[ . 1 . 2]" 1
203 1 14 PHE QD 1 55 ALA H 4.920 4.430 5.410 4.581 4.341 4.979 0.089 4 0 "[ . 1 . 2]" 1
204 1 14 PHE QD 1 84 VAL QG 4.470 4.020 4.920 4.403 3.851 4.949 0.169 1 0 "[ . 1 . 2]" 1
205 1 14 PHE QD 1 87 SER QB 5.340 4.810 5.870 4.500 3.301 5.035 1.509 6 3 "[ .+ 1 * . -]" 1
206 1 14 PHE QE 1 16 GLY H 5.500 4.950 6.050 4.846 3.446 5.922 1.504 17 5 "[**- . *1 . + 2]" 1
207 1 14 PHE QE 1 16 GLY QA 4.570 4.110 5.030 4.070 3.767 4.718 0.343 16 0 "[ . 1 . 2]" 1
208 1 14 PHE QE 1 54 PHE QB 4.450 4.120 4.890 2.942 2.325 3.782 1.795 5 16 "[ -* +** ******** ***]" 1
209 1 14 PHE QE 1 55 ALA H 5.160 4.640 5.680 4.631 4.331 5.273 0.309 12 0 "[ . 1 . 2]" 1
210 1 15 VAL H 1 15 VAL HB 3.750 3.370 4.130 3.009 2.520 3.557 0.850 20 3 "[ .* -1 . +]" 1
211 1 15 VAL H 1 16 GLY H 5.390 4.850 5.930 4.463 4.045 4.639 0.805 1 5 "[+** . 1 -. * 2]" 1
212 1 15 VAL H 1 55 ALA H 4.200 3.780 4.620 3.975 3.470 4.598 0.310 16 0 "[ . 1 . 2]" 1
213 1 15 VAL H 1 55 ALA MB 4.700 4.230 5.170 3.978 3.903 4.121 0.327 20 0 "[ . 1 . 2]" 1
214 1 15 VAL H 1 56 PHE HA 4.390 3.950 4.830 3.762 3.656 4.039 0.294 10 0 "[ . 1 . 2]" 1
215 1 15 VAL H 1 57 VAL H 5.150 4.630 5.670 4.527 4.136 5.022 0.494 12 0 "[ . 1 . 2]" 1
216 1 15 VAL H 1 57 VAL QG 5.500 4.950 6.050 3.891 2.386 5.132 2.564 6 11 "[*-**.+ *1** *. * *]" 1
217 1 15 VAL HA 1 16 GLY H 3.160 2.840 3.480 2.520 2.361 2.655 0.479 12 0 "[ . 1 . 2]" 1
218 1 15 VAL HA 1 16 GLY QA 4.960 4.460 5.460 4.073 3.991 4.139 0.469 5 0 "[ . 1 . 2]" 1
219 1 15 VAL HA 1 55 ALA MB 5.500 4.950 6.050 5.057 4.857 5.233 0.093 16 0 "[ . 1 . 2]" 1
220 1 15 VAL HA 1 84 VAL HA 3.430 3.090 3.770 2.978 2.712 3.300 0.378 10 0 "[ . 1 . 2]" 1
221 1 15 VAL HA 1 84 VAL QG 4.360 3.920 4.700 2.906 2.434 3.266 1.486 19 20 [*************-****+*] 1
222 1 15 VAL HB 1 84 VAL QG 4.300 3.870 4.730 4.584 3.974 4.791 0.061 2 0 "[ . 1 . 2]" 1
223 1 15 VAL QG 1 16 GLY H . 4.400 4.530 2.857 2.079 3.557 2.321 5 20 [**-*+***************] 1
224 1 15 VAL QG 1 16 GLY QA 5.360 4.820 5.900 3.690 3.318 4.189 1.502 20 20 [***-***************+] 1
225 1 15 VAL QG 1 55 ALA H 5.500 4.950 6.050 4.479 3.652 5.161 1.298 13 10 "[ * * * +-** ***]" 1
226 1 15 VAL QG 1 56 PHE HA 5.300 4.770 5.830 4.919 4.486 5.661 0.284 18 0 "[ . 1 . 2]" 1
227 1 15 VAL QG 1 57 VAL H 5.130 4.620 5.640 4.629 4.276 5.463 0.344 18 0 "[ . 1 . 2]" 1
228 1 15 VAL QG 1 57 VAL HB 5.140 4.630 5.650 3.018 2.688 4.104 1.942 5 20 [****+********-******] 1
229 1 15 VAL QG 1 72 MET QB 4.720 4.250 5.190 4.136 3.732 4.599 0.518 14 1 "[ . 1 +. 2]" 1
230 1 15 VAL QG 1 84 VAL HA 4.980 4.580 5.480 3.837 2.891 4.148 1.689 12 16 "[***** *****+ ** *- *]" 1
231 1 15 VAL QG 1 84 VAL QG 3.560 3.480 3.920 2.458 1.790 2.744 1.690 12 20 [***********+-*******] 1
232 1 16 GLY H 1 17 GLY H 5.030 4.530 5.530 4.435 4.352 4.540 0.178 8 0 "[ . 1 . 2]" 1
233 1 16 GLY H 1 18 ILE MG 5.230 4.710 5.750 5.391 4.663 6.058 0.308 6 0 "[ . 1 . 2]" 1
234 1 16 GLY H 1 54 PHE HA 5.250 4.720 5.780 5.188 4.608 5.877 0.112 1 0 "[ . 1 . 2]" 1
235 1 16 GLY H 1 83 HIS H 4.220 3.800 4.640 3.597 2.754 4.288 1.046 7 2 "[ . + 1 - 2]" 1
236 1 16 GLY H 1 83 HIS QB . 4.950 5.350 4.314 3.555 4.697 1.395 14 11 "[****.*- *1 * +. * *]" 1
237 1 16 GLY H 1 84 VAL HA 4.710 4.240 5.050 4.194 4.076 4.503 0.164 15 0 "[ . 1 . 2]" 1
238 1 16 GLY H 1 84 VAL QG 5.200 4.680 5.490 3.923 3.277 4.447 1.403 16 9 "[ - ** * * *+ **2]" 1
239 1 16 GLY QA 1 54 PHE HA 4.300 3.870 4.730 2.949 2.283 3.634 1.587 6 12 "[****.+- *1** *. * *]" 1
240 1 17 GLY H 1 18 ILE MD 5.500 4.950 6.050 5.031 3.762 6.066 1.188 12 3 "[- .* 1 + . 2]" 1
241 1 17 GLY H 1 18 ILE MG 5.500 4.950 6.050 5.544 4.710 6.125 0.240 17 0 "[ . 1 . 2]" 1
242 1 17 GLY H 1 54 PHE HA 4.660 4.190 4.990 4.364 3.975 4.992 0.215 6 0 "[ . 1 . 2]" 1
243 1 17 GLY H 1 55 ALA H 5.500 4.950 6.050 5.240 4.418 6.254 0.532 9 1 "[ . +1 . 2]" 1
244 1 17 GLY H 1 82 ILE MG 5.500 4.950 6.050 4.644 3.801 5.562 1.149 16 4 "[ . 1 * .+ *-2]" 1
245 1 17 GLY QA 1 18 ILE MD 4.660 4.580 5.130 4.663 4.154 5.296 0.426 8 0 "[ . 1 . 2]" 1
246 1 17 GLY QA 1 18 ILE QG 4.570 4.110 5.030 3.541 2.977 4.085 1.133 16 9 "[ * ** * * *+ *-2]" 1
247 1 17 GLY QA 1 54 PHE H 5.500 4.950 6.050 4.428 3.457 5.565 1.493 10 9 "[ * ** + * -* **2]" 1
248 1 17 GLY QA 1 55 ALA MB 4.180 3.760 4.600 5.499 4.651 6.196 1.596 2 13 "[*+**-* *1** ** * *]" 1
249 1 17 GLY QA 1 82 ILE HA 4.170 3.750 4.590 4.074 3.241 5.304 0.714 19 2 "[ . 1 . +-]" 1
250 1 17 GLY QA 1 82 ILE MG 5.160 4.680 5.680 3.991 3.422 4.273 1.258 9 16 "[****.* -+1****.*****]" 1
251 1 17 GLY QA 1 83 HIS H 4.810 4.330 5.290 4.298 3.553 5.629 0.777 17 9 "[***-.* 1* *. + *]" 1
252 1 18 ILE H 1 18 ILE MD 3.820 3.440 4.200 3.476 3.236 3.844 0.204 6 0 "[ . 1 . 2]" 1
253 1 18 ILE H 1 18 ILE QG 3.960 3.560 4.360 2.040 1.752 2.461 1.808 8 20 [*******+**********-*] 1
254 1 18 ILE H 1 18 ILE MG 3.750 3.370 4.130 3.730 3.302 3.966 0.068 17 0 "[ . 1 . 2]" 1
255 1 18 ILE H 1 19 ASP H 5.110 4.600 5.620 4.556 4.493 4.615 0.107 16 0 "[ . 1 . 2]" 1
256 1 18 ILE H 1 22 ILE QG 4.880 4.390 5.370 5.337 4.869 5.731 0.361 8 0 "[ . 1 . 2]" 1
257 1 18 ILE H 1 53 GLY H 5.500 4.950 6.050 5.274 4.883 5.947 0.067 8 0 "[ . 1 . 2]" 1
258 1 18 ILE H 1 82 ILE MG 4.510 4.060 4.960 4.289 4.068 4.540 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE HA 1 18 ILE MD 4.470 4.020 4.920 3.995 3.707 4.156 0.313 8 0 "[ . 1 . 2]" 1
260 1 18 ILE HA 1 18 ILE MG 3.500 3.150 3.850 2.126 2.037 2.312 1.113 7 20 [******+*********-***] 1
261 1 18 ILE HA 1 19 ASP H 3.000 2.700 3.300 2.480 2.313 2.604 0.387 9 0 "[ . 1 . 2]" 1
262 1 18 ILE HA 1 19 ASP HA 4.730 4.260 5.200 4.315 4.229 4.424 0.031 11 0 "[ . 1 . 2]" 1
263 1 18 ILE HA 1 19 ASP QB 4.870 4.380 5.360 4.152 3.980 4.473 0.400 9 0 "[ . 1 . 2]" 1
264 1 18 ILE HA 1 22 ILE QG 4.530 4.080 4.980 4.719 4.071 5.136 0.156 7 0 "[ . 1 . 2]" 1
265 1 18 ILE HA 1 76 GLU QG 5.140 4.630 5.650 8.669 8.053 9.748 4.098 17 20 [****-***********+***] 1
266 1 18 ILE HA 1 80 LYS QD 3.460 3.110 3.810 2.856 2.656 3.302 0.454 20 0 "[ . 1 . 2]" 1
267 1 18 ILE HA 1 80 LYS QE 4.550 4.090 5.010 4.559 2.038 4.936 2.052 9 1 "[ . +1 . 2]" 1
268 1 18 ILE HA 1 82 ILE MD 5.090 4.580 5.600 5.615 5.303 5.868 0.268 13 0 "[ . 1 . 2]" 1
269 1 18 ILE HA 1 82 ILE MG 4.080 3.670 4.490 3.004 2.296 3.400 1.374 8 14 "[****** + ** ** *-*2]" 1
270 1 18 ILE MD 1 18 ILE MG 3.320 2.990 3.650 2.310 1.834 2.722 1.156 17 9 "[** * ** 1* *-+ 2]" 1
271 1 18 ILE MD 1 19 ASP H 5.320 4.790 5.850 4.755 4.459 5.238 0.331 4 0 "[ . 1 . 2]" 1
272 1 18 ILE MD 1 22 ILE MD 4.480 4.030 4.930 2.930 2.168 3.979 1.862 3 13 "[ +*.*- ** ***. ****]" 1
273 1 18 ILE MD 1 51 ASN HA 5.270 4.740 5.800 6.241 5.126 7.079 1.279 11 9 "[** * ** -+ ** 2]" 1
274 1 18 ILE MD 1 51 ASN QB . 4.950 5.350 3.928 3.030 4.630 1.920 20 17 "[****.***** ***.-***+]" 1
275 1 18 ILE MD 1 51 ASN QD 4.890 4.400 5.030 4.170 3.711 4.579 0.689 17 4 "[ - .* 1 . + *]" 1
276 1 18 ILE MD 1 54 PHE H 5.500 4.950 6.050 5.718 5.024 6.152 0.102 19 0 "[ . 1 . 2]" 1
277 1 18 ILE MD 1 55 ALA H 5.420 4.880 5.960 4.728 4.365 4.993 0.515 6 1 "[ .+ 1 . 2]" 1
278 1 18 ILE MD 1 55 ALA MB 4.020 3.620 4.420 2.609 2.302 3.002 1.318 14 20 [*************+-*****] 1
279 1 18 ILE QG 1 22 ILE MD 4.410 3.970 4.850 3.451 2.483 4.053 1.487 17 8 "[** * ** 1 -*+ 2]" 1
280 1 18 ILE QG 1 22 ILE QG 3.070 2.760 3.380 3.640 3.360 3.819 0.439 4 0 "[ . 1 . 2]" 1
281 1 18 ILE QG 1 22 ILE MG 5.040 4.540 5.540 5.017 4.654 5.422 . 0 0 "[ . 1 . 2]" 1
282 1 18 ILE QG 1 51 ASN QB 4.480 4.030 4.930 4.029 3.434 4.780 0.596 5 5 "[- + ** 1 .* 2]" 1
283 1 18 ILE QG 1 51 ASN QD 5.350 4.810 5.890 3.607 2.375 4.262 2.435 17 20 [*****-**********+***] 1
284 1 18 ILE QG 1 55 ALA MB 3.860 3.470 4.250 3.613 3.309 4.062 0.161 14 0 "[ . 1 . 2]" 1
285 1 18 ILE MG 1 19 ASP H 4.250 3.820 4.680 2.298 1.730 3.628 2.090 19 18 "[*-****** ******* *+*]" 1
286 1 18 ILE MG 1 51 ASN QD 5.500 4.950 6.050 4.867 4.490 5.555 0.460 11 0 "[ . 1 . 2]" 1
287 1 18 ILE MG 1 55 ALA MB 4.240 3.820 4.660 5.059 4.117 5.755 1.095 19 7 "[ - * ** * *+2]" 1
288 1 18 ILE MG 1 80 LYS QD 3.340 3.010 3.670 3.861 2.848 4.054 0.384 1 0 "[ . 1 . 2]" 1
289 1 18 ILE MG 1 82 ILE HA 4.680 4.210 5.150 4.552 4.102 4.932 0.108 7 0 "[ . 1 . 2]" 1
290 1 18 ILE MG 1 83 HIS H 5.500 4.950 6.050 6.011 5.374 6.340 0.290 6 0 "[ . 1 . 2]" 1
291 1 19 ASP H 1 19 ASP QB 3.510 3.310 3.860 2.136 2.017 2.361 1.293 7 20 [******+********-****] 1
292 1 19 ASP H 1 20 GLU H 4.680 4.210 5.150 4.688 4.623 4.754 . 0 0 "[ . 1 . 2]" 1
293 1 19 ASP H 1 22 ILE H 5.180 4.660 5.700 5.398 4.870 5.708 0.008 17 0 "[ . 1 . 2]" 1
294 1 19 ASP H 1 22 ILE QG 4.330 3.900 4.760 3.701 3.422 4.033 0.478 2 0 "[ . 1 . 2]" 1
295 1 19 ASP HA 1 20 GLU H 2.870 2.580 3.160 2.497 2.387 2.645 0.193 19 0 "[ . 1 . 2]" 1
296 1 19 ASP HA 1 20 GLU QB 4.570 4.110 5.030 4.351 4.155 4.645 . 0 0 "[ . 1 . 2]" 1
297 1 19 ASP HA 1 22 ILE MD 5.230 4.710 5.750 4.516 3.701 4.816 1.009 9 1 "[ . +1 . 2]" 1
298 1 19 ASP QB 1 20 GLU H . 3.470 3.730 3.143 2.698 3.457 0.772 20 5 "[ . - 1 * .** +]" 1
299 1 19 ASP QB 1 21 THR H 5.410 4.870 5.920 3.922 2.993 4.182 1.877 13 20 [**********-*+*******] 1
300 1 19 ASP QB 1 21 THR MG 5.500 4.950 6.050 4.520 3.645 4.847 1.305 13 3 "[ . 1 + .- *]" 1
301 1 19 ASP QB 1 22 ILE H 5.500 4.950 6.050 5.062 4.695 5.429 0.255 16 0 "[ . 1 . 2]" 1
302 1 19 ASP QB 1 22 ILE MD 4.440 4.280 4.880 4.443 4.024 4.956 0.256 8 0 "[ . 1 . 2]" 1
303 1 19 ASP QB 1 22 ILE QG 4.580 4.120 4.860 4.507 3.831 4.972 0.289 2 0 "[ . 1 . 2]" 1
304 1 19 ASP QB 1 22 ILE MG 4.660 4.190 5.130 4.028 2.916 4.829 1.274 4 2 "[ +. 1- . 2]" 1
305 1 20 GLU H 1 20 GLU QB 3.290 2.960 3.620 2.787 2.603 2.908 0.357 14 0 "[ . 1 . 2]" 1
306 1 20 GLU H 1 20 GLU QG 3.820 3.440 4.000 2.044 1.792 2.874 1.648 10 20 [*********+***-******] 1
307 1 20 GLU H 1 21 THR H 3.530 3.180 3.880 3.031 2.968 3.152 0.212 2 0 "[ . 1 . 2]" 1
308 1 20 GLU H 1 21 THR HB 5.020 4.520 5.520 5.378 5.223 5.549 0.029 4 0 "[ . 1 . 2]" 1
309 1 20 GLU H 1 21 THR MG 5.500 4.950 6.050 4.885 4.739 5.186 0.211 2 0 "[ . 1 . 2]" 1
310 1 20 GLU H 1 22 ILE H 4.990 4.490 5.490 4.849 4.713 4.962 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLU HA 1 20 GLU QB 2.920 2.630 3.210 2.213 2.201 2.227 0.429 15 0 "[ . 1 . 2]" 1
312 1 20 GLU HA 1 20 GLU QG 3.970 3.570 4.370 3.406 3.373 3.439 0.197 16 0 "[ . 1 . 2]" 1
313 1 20 GLU HA 1 21 THR MG 5.000 4.500 5.500 5.557 5.511 5.638 0.138 9 0 "[ . 1 . 2]" 1
314 1 20 GLU HA 1 22 ILE H 4.060 3.650 4.470 3.605 3.389 3.827 0.261 9 0 "[ . 1 . 2]" 1
315 1 20 GLU HA 1 50 LYS HA 4.940 4.450 5.430 4.639 4.240 5.736 0.306 14 0 "[ . 1 . 2]" 1
316 1 20 GLU HA 1 51 ASN H 5.500 4.950 6.050 5.497 5.097 6.133 0.083 14 0 "[ . 1 . 2]" 1
317 1 20 GLU QB 1 21 THR H 5.340 4.810 5.870 4.124 4.051 4.191 0.759 10 20 [*********+***-******] 1
318 1 20 GLU QB 1 21 THR HA 4.960 4.460 5.460 4.487 4.397 4.731 0.063 9 0 "[ . 1 . 2]" 1
319 1 20 GLU QB 1 22 ILE H 5.010 4.510 5.510 5.016 4.736 5.191 . 0 0 "[ . 1 . 2]" 1
320 1 20 GLU QB 1 51 ASN QD 5.500 4.950 6.050 4.582 4.401 4.806 0.549 20 1 "[ . 1 . +]" 1
321 1 20 GLU QG 1 21 THR H 4.500 4.050 4.800 3.559 3.404 3.701 0.646 9 9 "[** *. +1- * ***2]" 1
322 1 20 GLU QG 1 21 THR HB . 4.790 5.220 4.083 3.861 4.315 0.929 14 19 [****.*****-**+******] 1
323 1 20 GLU QG 1 21 THR MG 4.850 4.370 5.330 4.617 4.392 4.800 . 0 0 "[ . 1 . 2]" 1
324 1 21 THR H 1 21 THR HB 4.040 3.640 4.440 3.116 2.880 3.231 0.760 9 7 "[ * . - +* * **2]" 1
325 1 21 THR H 1 21 THR MG 3.400 3.060 3.740 2.696 2.611 2.753 0.449 2 0 "[ . 1 . 2]" 1
326 1 21 THR H 1 22 ILE H 3.360 3.020 3.700 2.648 2.550 2.767 0.470 8 0 "[ . 1 . 2]" 1
327 1 21 THR H 1 22 ILE QG 5.500 4.950 6.050 4.810 3.515 5.590 1.435 17 5 "[ . - * * + *2]" 1
328 1 21 THR HA 1 21 THR MG 3.250 2.920 3.580 3.299 3.266 3.320 . 0 0 "[ . 1 . 2]" 1
329 1 21 THR HA 1 22 ILE HA 4.630 4.170 5.090 4.498 4.428 4.568 . 0 0 "[ . 1 . 2]" 1
330 1 21 THR HA 1 22 ILE MD 5.060 4.550 5.570 4.515 4.378 4.865 0.172 16 0 "[ . 1 . 2]" 1
331 1 21 THR HB 1 22 ILE H 4.480 4.030 4.930 4.748 4.641 4.830 . 0 0 "[ . 1 . 2]" 1
332 1 21 THR MG 1 22 ILE H 4.430 3.990 4.870 3.826 3.756 3.929 0.234 15 0 "[ . 1 . 2]" 1
333 1 21 THR MG 1 22 ILE MD 4.600 4.140 5.060 4.950 4.692 5.208 0.148 17 0 "[ . 1 . 2]" 1
334 1 21 THR MG 1 22 ILE MG 4.140 3.730 4.550 3.590 3.464 3.706 0.266 7 0 "[ . 1 . 2]" 1
335 1 22 ILE H 1 22 ILE HB 4.030 3.630 4.430 3.854 3.720 3.962 . 0 0 "[ . 1 . 2]" 1
336 1 22 ILE H 1 22 ILE MD 4.250 3.820 4.680 2.057 1.779 2.409 2.041 7 20 [******+*********-***] 1
337 1 22 ILE H 1 22 ILE QG 4.450 4.010 4.890 3.179 2.230 3.654 1.780 17 11 "[ * . ** *-**+***]" 1
338 1 22 ILE H 1 22 ILE MG 4.150 3.730 4.570 2.936 2.475 3.364 1.255 11 14 "[* ******-1+* *.* * *]" 1
339 1 22 ILE H 1 23 ASP H 4.710 4.240 5.180 4.571 4.491 4.649 . 0 0 "[ . 1 . 2]" 1
340 1 22 ILE H 1 49 LYS QG 4.930 4.440 5.420 4.112 3.505 4.508 0.935 2 2 "[ + . - 1 . 2]" 1
341 1 22 ILE HA 1 22 ILE MD 3.440 3.100 3.780 3.511 3.403 3.582 . 0 0 "[ . 1 . 2]" 1
342 1 22 ILE HA 1 22 ILE MG 3.460 3.110 3.810 2.459 2.207 2.666 0.903 19 14 "[-* ** ** ******+*]" 1
343 1 22 ILE HA 1 23 ASP H 2.910 2.620 3.200 2.411 2.229 2.523 0.391 4 0 "[ . 1 . 2]" 1
344 1 22 ILE HA 1 27 LEU H 5.480 4.930 6.030 5.859 5.186 6.180 0.150 1 0 "[ . 1 . 2]" 1
345 1 22 ILE HB 1 22 ILE MD 3.860 3.470 4.250 3.005 2.467 3.266 1.003 17 7 "[ - . * * * +**2]" 1
346 1 22 ILE HB 1 27 LEU H 4.310 3.880 4.740 4.367 3.809 4.729 0.071 14 0 "[ . 1 . 2]" 1
347 1 22 ILE MD 1 22 ILE MG 3.260 2.930 3.590 2.959 2.483 3.321 0.447 4 0 "[ . 1 . 2]" 1
348 1 22 ILE MD 1 23 ASP H 4.160 3.740 4.580 3.845 3.676 4.145 0.064 20 0 "[ . 1 . 2]" 1
349 1 22 ILE MD 1 26 SER QB 4.540 4.090 4.990 5.215 5.004 5.562 0.572 9 2 "[ . +1 - . 2]" 1
350 1 22 ILE MD 1 27 LEU HG 5.050 4.540 5.560 4.319 3.794 4.511 0.746 17 1 "[ . 1 . + 2]" 1
351 1 22 ILE MD 1 44 LEU QD 3.070 2.960 3.380 2.588 2.073 2.758 0.887 14 1 "[ . 1 +. 2]" 1
352 1 22 ILE MD 1 44 LEU HG 3.860 3.470 4.250 4.283 4.004 4.467 0.217 16 0 "[ . 1 . 2]" 1
353 1 22 ILE MD 1 49 LYS QG 3.640 3.280 4.000 3.714 3.371 4.223 0.223 4 0 "[ . 1 . 2]" 1
354 1 22 ILE MD 1 78 ASN HD21 5.270 4.740 5.800 5.425 5.048 5.810 0.010 9 0 "[ . 1 . 2]" 1
355 1 22 ILE MD 1 78 ASN HD22 5.140 4.630 5.650 5.946 5.704 6.275 0.625 19 1 "[ . 1 . +2]" 1
356 1 22 ILE QG 1 23 ASP H 4.250 3.820 4.680 3.900 3.545 4.497 0.275 5 0 "[ . 1 . 2]" 1
357 1 22 ILE QG 1 27 LEU QD 3.330 3.000 3.660 2.220 1.799 2.753 1.201 2 17 "[*+*******1****** - *]" 1
358 1 22 ILE MG 1 23 ASP H 3.630 3.270 3.990 3.698 3.249 4.114 0.124 4 0 "[ . 1 . 2]" 1
359 1 22 ILE MG 1 26 SER H 5.460 4.910 6.010 5.852 5.675 6.019 0.009 7 0 "[ . 1 . 2]" 1
360 1 22 ILE MG 1 26 SER HA 5.240 4.720 5.760 5.695 5.565 5.852 0.092 7 0 "[ . 1 . 2]" 1
361 1 22 ILE MG 1 26 SER QB 4.160 3.740 4.320 3.222 3.101 3.381 0.639 10 12 "[*** . +-* ******]" 1
362 1 22 ILE MG 1 27 LEU H 5.030 4.530 5.530 5.105 4.520 5.512 0.010 2 0 "[ . 1 . 2]" 1
363 1 22 ILE MG 1 27 LEU HA 4.970 4.470 5.470 4.962 4.371 5.472 0.099 9 0 "[ . 1 . 2]" 1
364 1 23 ASP H 1 23 ASP QB 3.510 3.160 3.860 2.676 2.456 2.846 0.704 7 8 "[* **+* 1 * * -]" 1
365 1 23 ASP H 1 24 GLU H 4.930 4.440 5.420 4.394 4.323 4.471 0.117 14 0 "[ . 1 . 2]" 1
366 1 23 ASP H 1 25 LYS QE 5.500 4.950 6.050 5.960 5.449 6.309 0.259 19 0 "[ . 1 . 2]" 1
367 1 23 ASP H 1 26 SER H 4.300 3.870 4.730 3.642 3.460 3.952 0.410 4 0 "[ . 1 . 2]" 1
368 1 23 ASP H 1 26 SER QB 3.720 3.350 3.720 2.839 2.563 3.225 0.787 18 11 "[ * . * ** *** -+**]" 1
369 1 23 ASP HA 1 24 GLU H 3.130 2.820 3.440 2.653 2.546 2.789 0.274 13 0 "[ . 1 . 2]" 1
370 1 23 ASP HA 1 42 VAL QG 4.440 4.000 4.880 4.020 3.768 4.312 0.232 14 0 "[ . 1 . 2]" 1
371 1 23 ASP QB 1 24 GLU H 3.300 3.080 3.630 2.740 1.989 2.997 1.091 8 4 "[ . *+ 1 * - 2]" 1
372 1 23 ASP QB 1 24 GLU QB 4.890 4.400 5.380 4.099 3.549 4.546 0.851 7 4 "[ . +* 1 - * 2]" 1
373 1 23 ASP QB 1 25 LYS H . 4.180 4.250 3.330 3.169 3.448 1.011 20 20 [**-****************+] 1
374 1 23 ASP QB 1 25 LYS QE 3.780 3.400 4.160 3.304 2.869 3.827 0.531 8 1 "[ . + 1 . 2]" 1
375 1 23 ASP QB 1 42 VAL QG 5.320 4.790 5.850 5.258 5.002 5.415 . 0 0 "[ . 1 . 2]" 1
376 1 24 GLU H 1 24 GLU QB 3.580 3.230 3.940 2.275 2.183 2.382 1.047 12 20 [***********+*-******] 1
377 1 24 GLU H 1 24 GLU QG 4.140 3.750 4.550 3.904 3.290 4.183 0.460 9 0 "[ . 1 . 2]" 1
378 1 24 GLU H 1 25 LYS H 3.880 3.490 4.270 3.222 3.053 3.326 0.437 14 0 "[ . 1 . 2]" 1
379 1 24 GLU H 1 25 LYS QB 4.930 4.440 5.420 5.627 5.446 5.773 0.353 20 0 "[ . 1 . 2]" 1
380 1 24 GLU H 1 25 LYS QE 4.410 3.970 4.850 4.092 3.709 4.676 0.261 9 0 "[ . 1 . 2]" 1
381 1 24 GLU H 1 26 SER H 5.370 4.830 5.910 4.659 4.539 4.771 0.291 18 0 "[ . 1 . 2]" 1
382 1 24 GLU H 1 42 VAL QG 4.560 4.100 5.020 4.186 4.028 4.406 0.072 10 0 "[ . 1 . 2]" 1
383 1 24 GLU HA 1 24 GLU QG 3.740 3.480 4.110 2.517 2.199 2.971 1.281 4 20 [***+***************-] 1
384 1 24 GLU HA 1 25 LYS HA 4.850 4.370 5.330 4.670 4.572 4.769 . 0 0 "[ . 1 . 2]" 1
385 1 24 GLU HA 1 25 LYS QD 5.100 4.590 5.610 4.977 4.814 5.211 . 0 0 "[ . 1 . 2]" 1
386 1 24 GLU HA 1 27 LEU H 4.280 3.850 4.710 4.144 3.971 4.385 . 0 0 "[ . 1 . 2]" 1
387 1 24 GLU HA 1 27 LEU QB 4.320 3.890 4.750 3.949 3.675 4.346 0.215 8 0 "[ . 1 . 2]" 1
388 1 24 GLU HA 1 27 LEU QD 4.080 3.670 4.490 3.901 3.564 4.404 0.106 13 0 "[ . 1 . 2]" 1
389 1 24 GLU HA 1 28 TYR H 4.510 4.060 4.960 5.113 4.857 5.313 0.353 18 0 "[ . 1 . 2]" 1
390 1 24 GLU HA 1 40 ILE MG 3.630 3.270 3.990 3.251 2.940 3.685 0.330 14 0 "[ . 1 . 2]" 1
391 1 24 GLU HA 1 42 VAL QG 3.750 3.370 4.130 3.186 2.998 3.403 0.372 12 0 "[ . 1 . 2]" 1
392 1 24 GLU QB 1 25 LYS H 3.900 3.510 4.270 2.525 2.150 3.099 1.360 15 19 "[************* +****-]" 1
393 1 24 GLU QB 1 25 LYS QE 3.730 3.360 4.100 3.254 2.693 3.746 0.667 20 1 "[ . 1 . +]" 1
394 1 24 GLU QB 1 40 ILE MG 4.810 4.330 4.960 4.072 3.673 4.465 0.657 18 1 "[ . 1 . + 2]" 1
395 1 24 GLU QB 1 42 VAL QG 4.800 4.320 4.970 4.062 3.811 4.605 0.509 18 2 "[ - . 1 . + 2]" 1
396 1 24 GLU QG 1 25 LYS H 5.000 4.500 5.500 4.174 3.697 4.706 0.803 19 6 "[ - * * 1 * *+2]" 1
397 1 24 GLU QG 1 40 ILE MD 5.180 4.660 5.700 3.841 3.005 5.730 1.655 4 14 "[** +**** ** * *-* *2]" 1
398 1 24 GLU QG 1 40 ILE MG 4.160 3.750 4.580 2.583 2.310 3.319 1.440 6 19 [*-***+*************2] 1
399 1 24 GLU QG 1 41 GLU HA 5.470 4.920 6.020 5.167 4.605 5.752 0.315 14 0 "[ . 1 . 2]" 1
400 1 24 GLU QG 1 42 VAL H 4.970 4.610 5.470 4.407 3.970 4.753 0.640 14 2 "[ -. 1 +. 2]" 1
401 1 24 GLU QG 1 42 VAL QG 4.240 3.940 4.660 3.634 3.286 4.074 0.654 3 5 "[ +*. *1-* . 2]" 1
402 1 25 LYS H 1 25 LYS QB 3.010 2.710 3.310 2.785 2.508 3.001 0.202 17 0 "[ . 1 . 2]" 1
403 1 25 LYS H 1 25 LYS QD 5.340 4.810 5.870 1.836 1.673 2.149 3.137 20 20 [*****-*************+] 1
404 1 25 LYS H 1 25 LYS QE 5.500 4.950 6.050 2.775 2.244 3.278 2.706 5 20 [****+**-************] 1
405 1 25 LYS H 1 25 LYS QG 4.080 3.670 4.490 2.802 2.204 3.424 1.466 15 11 "[ * . **** **+ **-]" 1
406 1 25 LYS H 1 26 SER H 3.260 2.930 3.590 2.755 2.440 2.918 0.490 20 0 "[ . 1 . 2]" 1
407 1 25 LYS H 1 27 LEU H 4.910 4.420 5.400 4.520 4.221 4.675 0.199 9 0 "[ . 1 . 2]" 1
408 1 25 LYS H 1 28 TYR H 5.160 4.640 5.680 5.227 5.102 5.307 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS H 1 40 ILE MG 5.500 4.950 6.050 5.677 5.084 6.110 0.060 2 0 "[ . 1 . 2]" 1
410 1 25 LYS HA 1 25 LYS QG 3.950 3.550 4.350 3.309 2.941 3.594 0.609 20 1 "[ . 1 . +]" 1
411 1 25 LYS HA 1 28 TYR H 4.040 3.640 4.440 3.585 3.496 3.762 0.144 5 0 "[ . 1 . 2]" 1
412 1 25 LYS HA 1 28 TYR QB 3.830 3.450 4.030 2.885 2.431 3.020 1.019 11 14 "[****-* 1+** **** *]" 1
413 1 25 LYS HA 1 28 TYR QD 4.690 4.220 5.160 4.147 3.940 4.464 0.280 2 0 "[ . 1 . 2]" 1
414 1 25 LYS QB 1 26 SER H 3.580 3.220 3.940 3.286 2.998 3.651 0.222 20 0 "[ . 1 . 2]" 1
415 1 25 LYS QB 1 26 SER QB 5.050 4.540 5.560 5.055 4.739 5.359 . 0 0 "[ . 1 . 2]" 1
416 1 25 LYS QD 1 26 SER H 5.190 4.670 5.710 2.692 2.282 3.052 2.388 17 20 [****************+**-] 1
417 1 25 LYS QD 1 26 SER QB 4.660 4.280 5.130 4.472 4.013 4.889 0.267 6 0 "[ . 1 . 2]" 1
418 1 25 LYS QD 1 27 LEU H 5.140 4.630 5.650 5.137 4.651 5.493 . 0 0 "[ . 1 . 2]" 1
419 1 25 LYS QG 1 26 SER H 5.140 4.630 5.650 3.523 2.280 4.360 2.350 17 9 "[* **** 1*- .*+ 2]" 1
420 1 26 SER H 1 26 SER QB 3.600 3.280 3.960 2.843 2.751 2.906 0.529 20 3 "[ . 1 - . * +]" 1
421 1 26 SER H 1 27 LEU H 3.420 3.080 3.760 2.919 2.843 2.990 0.237 7 0 "[ . 1 . 2]" 1
422 1 26 SER H 1 28 TYR H 4.910 4.420 5.400 4.232 4.091 4.344 0.329 11 0 "[ . 1 . 2]" 1
423 1 26 SER H 1 29 ASP H 5.180 4.660 5.700 5.352 5.118 5.536 . 0 0 "[ . 1 . 2]" 1
424 1 26 SER HA 1 26 SER QB 2.860 2.570 3.150 2.176 2.140 2.211 0.430 12 0 "[ . 1 . 2]" 1
425 1 26 SER HA 1 28 TYR H 4.460 4.010 4.910 4.165 4.002 4.351 0.008 11 0 "[ . 1 . 2]" 1
426 1 26 SER HA 1 29 ASP H 4.250 3.820 4.680 3.750 3.656 3.862 0.164 5 0 "[ . 1 . 2]" 1
427 1 26 SER HA 1 29 ASP QB 4.030 3.920 4.430 3.518 3.410 3.697 0.510 8 1 "[ . + 1 . 2]" 1
428 1 26 SER QB 1 27 LEU H 4.260 3.830 4.690 2.951 2.516 3.333 1.314 2 19 "[*+ ********-********]" 1
429 1 26 SER QB 1 27 LEU QD . 4.900 4.980 3.848 3.653 4.009 1.247 10 20 [*-*******+**********] 1
430 1 26 SER QB 1 30 ILE H 5.200 4.680 5.720 5.042 4.840 5.269 . 0 0 "[ . 1 . 2]" 1
431 1 26 SER QB 1 30 ILE MD 4.570 4.110 5.030 2.950 2.631 3.658 1.479 3 19 "[**+**** ******-*****]" 1
432 1 27 LEU H 1 27 LEU QB 3.830 3.630 4.210 2.548 2.412 2.729 1.218 8 20 [*******+**********-*] 1
433 1 27 LEU H 1 27 LEU QD 4.370 4.030 4.810 3.345 3.261 3.429 0.769 13 20 [*****-******+*******] 1
434 1 27 LEU H 1 28 TYR H 3.640 3.280 4.000 2.659 2.348 2.886 0.932 11 12 "[* **.*- *1+* *** *2]" 1
435 1 27 LEU H 1 28 TYR QB 5.500 4.950 6.050 4.467 4.126 4.615 0.824 11 9 "[* *-.* 1+* .** *2]" 1
436 1 27 LEU H 1 29 ASP H 4.830 4.350 5.310 4.820 4.597 4.990 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU H 1 30 ILE H 4.890 4.400 5.380 5.346 5.211 5.507 0.127 15 0 "[ . 1 . 2]" 1
438 1 27 LEU H 1 30 ILE MD 4.720 4.250 5.190 4.333 4.062 5.206 0.188 20 0 "[ . 1 . 2]" 1
439 1 27 LEU H 1 40 ILE MG 5.280 4.750 5.810 5.092 4.537 5.610 0.213 14 0 "[ . 1 . 2]" 1
440 1 27 LEU HA 1 29 ASP H 5.500 4.950 6.050 4.757 4.662 4.837 0.288 12 0 "[ . 1 . 2]" 1
441 1 27 LEU HA 1 30 ILE H 4.370 3.930 4.810 3.693 3.556 3.784 0.374 14 0 "[ . 1 . 2]" 1
442 1 27 LEU HA 1 30 ILE HB 4.150 3.730 4.570 3.699 3.484 3.814 0.246 19 0 "[ . 1 . 2]" 1
443 1 27 LEU HA 1 30 ILE MD 4.150 3.730 4.570 3.002 2.542 3.695 1.188 20 13 "[ * .** ** *****-*+]" 1
444 1 27 LEU HA 1 30 ILE QG 4.630 4.170 5.090 4.588 3.983 4.861 0.187 8 0 "[ . 1 . 2]" 1
445 1 27 LEU HA 1 30 ILE MG 5.090 4.580 5.600 5.101 4.904 5.218 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU HA 1 31 PHE QE 4.350 3.910 4.790 4.855 4.473 5.156 0.366 20 0 "[ . 1 . 2]" 1
447 1 27 LEU QB 1 28 TYR H 4.280 4.080 4.710 3.283 3.207 3.359 0.873 13 20 [**********-*+*******] 1
448 1 27 LEU QB 1 28 TYR HA 4.650 4.180 5.120 4.407 4.283 4.557 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU QB 1 31 PHE QD 4.100 3.690 4.510 4.248 3.730 4.424 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU QB 1 31 PHE QE 4.270 3.840 4.700 4.637 4.047 4.790 0.090 11 0 "[ . 1 . 2]" 1
451 1 27 LEU QB 1 40 ILE MD 4.310 3.880 4.530 3.535 3.167 4.102 0.713 3 5 "[ + . **1 - . * 2]" 1
452 1 27 LEU QB 1 40 ILE MG 4.170 4.150 4.590 3.549 3.002 3.873 1.148 4 8 "[* +* * 1 *. -**]" 1
453 1 27 LEU QB 1 57 VAL QG 4.820 4.340 5.300 3.387 2.708 3.709 1.632 4 20 [***+**********-*****] 1
454 1 27 LEU QD 1 28 TYR H 5.450 4.900 6.000 4.507 4.447 4.577 0.453 20 0 "[ . 1 . 2]" 1
455 1 27 LEU QD 1 30 ILE HB 3.540 3.190 3.890 3.819 3.571 4.051 0.161 13 0 "[ . 1 . 2]" 1
456 1 27 LEU QD 1 30 ILE MD 3.470 3.120 3.820 3.074 2.909 3.471 0.211 14 0 "[ . 1 . 2]" 1
457 1 27 LEU QD 1 31 PHE QE 4.610 4.150 5.070 3.213 2.813 3.725 1.337 19 18 "[************ *-***+2]" 1
458 1 27 LEU QD 1 40 ILE MD 4.760 4.280 5.240 4.405 4.016 4.941 0.264 18 0 "[ . 1 . 2]" 1
459 1 27 LEU QD 1 40 ILE MG 4.000 3.600 4.400 3.875 3.328 4.177 0.272 4 0 "[ . 1 . 2]" 1
460 1 27 LEU QD 1 55 ALA MB 3.920 3.530 4.310 3.409 3.061 3.955 0.469 5 0 "[ . 1 . 2]" 1
461 1 27 LEU QD 1 57 VAL QG 4.890 4.540 5.380 3.481 2.658 3.845 1.882 4 20 [***+**********-*****] 1
462 1 28 TYR H 1 28 TYR QB 3.620 3.260 3.930 2.317 2.202 2.449 1.058 13 20 [*****-******+*******] 1
463 1 28 TYR H 1 29 ASP H 3.640 3.280 4.000 2.998 2.846 3.119 0.434 11 0 "[ . 1 . 2]" 1
464 1 28 TYR H 1 30 ILE H 5.340 4.810 5.870 4.566 4.400 4.673 0.410 11 0 "[ . 1 . 2]" 1
465 1 28 TYR H 1 30 ILE MD 4.100 3.690 4.510 5.129 4.861 6.219 1.709 8 8 "[* *** + 1 * -. * 2]" 1
466 1 28 TYR H 1 37 ILE MD 5.500 4.950 6.050 6.285 6.036 6.455 0.405 17 0 "[ . 1 . 2]" 1
467 1 28 TYR H 1 40 ILE MD 4.800 4.320 5.280 3.757 3.214 4.360 1.106 8 9 "[***** + 1 ** . -2]" 1
468 1 28 TYR HA 1 28 TYR QD 4.070 3.660 4.480 3.265 3.160 3.444 0.500 7 0 "[ . 1 . 2]" 1
469 1 28 TYR HA 1 31 PHE H 4.640 4.180 5.100 4.483 4.167 4.697 0.013 2 0 "[ . 1 . 2]" 1
470 1 28 TYR HA 1 31 PHE QB 5.090 4.580 5.600 4.081 3.691 4.260 0.889 2 8 "[ + * ***1 * * -2]" 1
471 1 28 TYR HA 1 37 ILE MD 4.290 3.860 4.720 4.072 3.903 4.206 . 0 0 "[ . 1 . 2]" 1
472 1 28 TYR HA 1 40 ILE HB 5.050 4.540 5.560 6.502 5.780 7.154 1.594 7 13 "[** ***+*** * * - *2]" 1
473 1 28 TYR HA 1 40 ILE MD 3.540 3.190 3.890 3.104 2.882 3.360 0.308 3 0 "[ . 1 . 2]" 1
474 1 28 TYR HA 1 40 ILE QG 5.330 4.800 5.860 4.757 3.427 5.348 1.373 14 3 "[ . 1 +. - *]" 1
475 1 28 TYR QB 1 29 ASP H 4.160 3.740 4.350 2.266 2.144 2.620 1.596 14 20 [**********-**+******] 1
476 1 28 TYR QB 1 37 ILE MG 5.500 4.950 6.050 3.978 3.479 4.623 1.471 8 19 [*******+*1****-*****] 1
477 1 28 TYR QB 1 40 ILE MD 5.500 4.950 5.520 3.114 2.364 4.226 2.586 2 20 [*+***********-******] 1
478 1 28 TYR QB 1 40 ILE MG 5.090 4.580 5.600 4.502 4.189 5.107 0.391 18 0 "[ . 1 . 2]" 1
479 1 28 TYR QD 1 29 ASP HA 4.080 3.670 4.490 3.147 2.467 3.476 1.203 8 9 "[*** .- + 1** .** 2]" 1
480 1 28 TYR QD 1 37 ILE HB 4.700 4.230 5.170 3.562 3.188 3.963 1.042 14 15 "[*-**** **1* *+.* ***]" 1
481 1 28 TYR QD 1 37 ILE MD 4.470 4.020 4.920 4.966 4.687 5.161 0.241 8 0 "[ . 1 . 2]" 1
482 1 28 TYR QD 1 37 ILE MG 4.570 4.110 5.030 3.548 2.895 4.008 1.215 11 11 "[* **.- * 1+ **.* * *]" 1
483 1 28 TYR QD 1 40 ILE H 5.390 4.850 5.930 6.862 5.997 7.797 1.867 10 11 "[ - .****+** *** 2]" 1
484 1 28 TYR QD 1 40 ILE MD 4.450 4.010 4.890 3.308 2.165 4.552 1.845 13 11 "[***** * -* + * *2]" 1
485 1 28 TYR QE 1 37 ILE HB 3.950 3.550 4.350 3.441 3.133 3.678 0.417 13 0 "[ . 1 . 2]" 1
486 1 28 TYR QE 1 37 ILE MG 4.540 4.090 4.990 3.804 2.972 4.122 1.118 18 3 "[ . 1 * . + -]" 1
487 1 29 ASP H 1 29 ASP QB 3.560 3.230 3.920 2.189 2.113 2.266 1.117 12 20 [***********+******-*] 1
488 1 29 ASP H 1 30 ILE H 3.720 3.350 4.090 3.136 3.075 3.226 0.275 8 0 "[ . 1 . 2]" 1
489 1 29 ASP H 1 30 ILE MD 5.500 4.950 6.050 4.915 4.705 5.846 0.245 2 0 "[ . 1 . 2]" 1
490 1 29 ASP H 1 30 ILE MG 5.500 4.950 6.050 6.438 6.398 6.500 0.450 19 0 "[ . 1 . 2]" 1
491 1 29 ASP H 1 31 PHE H 4.470 4.020 4.920 4.834 4.687 4.997 0.077 8 0 "[ . 1 . 2]" 1
492 1 29 ASP H 1 32 SER H 4.770 4.290 5.250 4.904 4.616 5.090 . 0 0 "[ . 1 . 2]" 1
493 1 29 ASP HA 1 32 SER H 4.740 4.270 5.210 3.226 2.929 3.596 1.341 11 20 [*******-**+*********] 1
494 1 29 ASP QB 1 30 ILE H 4.200 3.780 4.510 3.038 2.411 3.184 1.369 19 20 [*************-****+*] 1
495 1 29 ASP QB 1 30 ILE MD 5.070 4.560 5.580 4.340 3.834 4.836 0.726 19 2 "[ . 1 - +2]" 1
496 1 30 ILE H 1 30 ILE HB 3.410 3.070 3.750 2.843 2.797 2.910 0.273 16 0 "[ . 1 . 2]" 1
497 1 30 ILE H 1 30 ILE MD 4.830 4.350 5.310 2.985 2.708 3.904 1.642 2 19 "[*+***** ***-********]" 1
498 1 30 ILE H 1 30 ILE QG 4.190 3.770 4.610 2.439 2.305 2.674 1.465 19 20 [*************-****+*] 1
499 1 30 ILE H 1 30 ILE MG 3.980 3.580 4.380 3.867 3.831 3.901 . 0 0 "[ . 1 . 2]" 1
500 1 30 ILE H 1 31 PHE H 3.580 3.220 3.940 2.930 2.842 3.121 0.378 8 0 "[ . 1 . 2]" 1
501 1 30 ILE HA 1 30 ILE MD 4.650 4.180 5.120 3.999 3.930 4.064 0.250 2 0 "[ . 1 . 2]" 1
502 1 30 ILE HA 1 30 ILE QG 3.950 3.550 4.350 2.591 2.548 2.630 1.002 2 20 [*+*****-************] 1
503 1 30 ILE HA 1 30 ILE MG 3.710 3.340 4.080 2.374 2.315 2.432 1.025 7 20 [******+-************] 1
504 1 30 ILE HA 1 32 SER H 4.410 3.970 4.850 3.968 3.875 4.081 0.095 14 0 "[ . 1 . 2]" 1
505 1 30 ILE HB 1 30 ILE MD 3.170 2.850 3.490 2.407 2.366 2.505 0.484 15 0 "[ . 1 . 2]" 1
506 1 30 ILE HB 1 31 PHE H 3.730 3.360 4.100 3.094 3.050 3.154 0.310 17 0 "[ . 1 . 2]" 1
507 1 30 ILE HB 1 31 PHE QE 4.330 3.900 4.760 4.175 4.052 4.284 . 0 0 "[ . 1 . 2]" 1
508 1 30 ILE HB 1 32 SER H 5.500 4.950 6.050 5.281 5.206 5.343 . 0 0 "[ . 1 . 2]" 1
509 1 30 ILE MD 1 30 ILE MG 3.410 3.070 3.750 2.694 2.125 2.832 0.945 8 2 "[ . + 1 - . 2]" 1
510 1 30 ILE MD 1 31 PHE H 4.840 4.360 5.320 4.557 4.385 5.017 . 0 0 "[ . 1 . 2]" 1
511 1 30 ILE MD 1 31 PHE QD 4.010 3.610 4.410 4.467 4.298 4.654 0.244 8 0 "[ . 1 . 2]" 1
512 1 30 ILE MD 1 31 PHE QE 4.550 4.090 5.010 4.928 4.753 5.048 0.038 1 0 "[ . 1 . 2]" 1
513 1 30 ILE QG 1 31 PHE H 5.440 4.900 5.980 4.537 4.426 4.612 0.474 8 0 "[ . 1 . 2]" 1
514 1 30 ILE QG 1 31 PHE QE 5.420 4.880 5.960 6.053 5.938 6.136 0.176 11 0 "[ . 1 . 2]" 1
515 1 30 ILE MG 1 31 PHE H 4.340 3.910 4.770 3.819 3.778 3.863 0.132 8 0 "[ . 1 . 2]" 1
516 1 30 ILE MG 1 31 PHE HA 4.880 4.390 5.370 3.933 3.840 3.991 0.550 14 3 "[ . -1 +. * 2]" 1
517 1 30 ILE MG 1 31 PHE QB 5.090 4.580 5.600 4.916 4.857 4.962 . 0 0 "[ . 1 . 2]" 1
518 1 30 ILE MG 1 31 PHE QD 4.180 3.760 4.600 3.650 3.576 3.720 0.184 1 0 "[ . 1 . 2]" 1
519 1 30 ILE MG 1 31 PHE QE 4.530 4.080 4.980 4.227 4.130 4.351 . 0 0 "[ . 1 . 2]" 1
520 1 30 ILE MG 1 32 SER H 5.500 4.950 6.050 5.040 4.947 5.156 0.003 17 0 "[ . 1 . 2]" 1
521 1 30 ILE MG 1 57 VAL QG 5.380 4.840 5.920 6.638 6.473 6.850 0.930 2 20 [*+*************-****] 1
522 1 31 PHE H 1 31 PHE QB 3.920 3.530 4.310 2.207 2.129 2.275 1.401 9 20 [********+*********-*] 1
523 1 31 PHE H 1 32 SER H 3.590 3.230 3.950 2.804 2.747 2.839 0.483 15 0 "[ . 1 . 2]" 1
524 1 31 PHE H 1 33 SER H 4.880 4.390 5.370 4.623 4.552 4.724 . 0 0 "[ . 1 . 2]" 1
525 1 31 PHE H 1 37 ILE MD 5.500 4.950 6.050 5.077 4.924 5.182 0.026 9 0 "[ . 1 . 2]" 1
526 1 31 PHE HA 1 59 TYR QE 5.500 4.950 6.050 4.832 4.672 5.022 0.278 9 0 "[ . 1 . 2]" 1
527 1 31 PHE QB 1 32 SER H . 4.550 4.610 3.471 3.418 3.513 1.132 15 20 [********-*****+*****] 1
528 1 31 PHE QB 1 37 ILE MD 4.250 3.820 4.530 2.934 2.556 3.031 1.264 9 20 [***-****+***********] 1
529 1 31 PHE QB 1 59 TYR QE 4.230 3.810 4.650 2.768 2.588 3.048 1.222 14 20 [********-****+******] 1
530 1 31 PHE QD 1 37 ILE MD 4.860 4.370 5.350 4.124 3.710 4.225 0.660 9 1 "[ . +1 . 2]" 1
531 1 31 PHE QD 1 57 VAL QG 4.980 4.480 5.480 3.559 3.395 3.840 1.085 20 20 [*****-*************+] 1
532 1 31 PHE QD 1 72 MET QG 5.480 4.930 6.030 4.123 3.675 4.993 1.255 18 16 "[* * .-** ********+**]" 1
533 1 31 PHE QE 1 37 ILE MD 5.130 4.620 5.640 5.634 5.331 5.724 0.084 5 0 "[ . 1 . 2]" 1
534 1 31 PHE QE 1 57 VAL QG 4.530 4.300 4.980 3.885 3.676 4.073 0.624 20 5 "[ . *1 *.- * +]" 1
535 1 31 PHE QE 1 59 TYR QE 4.520 4.070 4.970 4.217 3.927 4.562 0.143 9 0 "[ . 1 . 2]" 1
536 1 32 SER H 1 32 SER QB 4.000 3.600 4.400 2.931 2.105 3.017 1.495 15 20 [******-*******+*****] 1
537 1 32 SER H 1 33 SER H 3.530 3.180 3.880 2.543 2.398 2.759 0.782 9 16 "[******-*+1 ** .*****]" 1
538 1 32 SER H 1 33 SER HB3 4.170 3.750 4.590 4.775 4.698 4.876 0.286 14 0 "[ . 1 . 2]" 1
539 1 32 SER H 1 34 PHE H 4.870 4.380 5.360 5.021 4.841 5.232 . 0 0 "[ . 1 . 2]" 1
540 1 32 SER H 1 35 GLY H 5.500 4.950 6.050 4.982 4.833 5.085 0.117 1 0 "[ . 1 . 2]" 1
541 1 32 SER H 1 37 ILE MD 4.340 3.910 4.770 4.944 4.846 5.020 0.250 4 0 "[ . 1 . 2]" 1
542 1 32 SER HA 1 34 PHE H 4.500 4.050 4.950 4.371 4.171 4.725 . 0 0 "[ . 1 . 2]" 1
543 1 32 SER HA 1 35 GLY H 3.730 3.360 4.100 3.005 2.803 3.157 0.557 1 1 "[+ . 1 . 2]" 1
544 1 32 SER HA 1 37 ILE H 5.500 4.950 6.050 5.293 5.035 5.493 . 0 0 "[ . 1 . 2]" 1
545 1 32 SER HA 1 37 ILE MD 3.710 3.340 4.080 3.735 3.628 3.817 . 0 0 "[ . 1 . 2]" 1
546 1 32 SER HA 1 37 ILE QG 4.460 4.010 4.630 3.503 3.433 3.584 0.577 20 11 "[ * - **1****.* * +]" 1
547 1 32 SER HA 1 59 TYR QE 5.200 4.680 5.720 5.215 5.067 5.524 . 0 0 "[ . 1 . 2]" 1
548 1 32 SER QB 1 33 SER H 5.500 4.950 6.050 3.920 3.723 3.998 1.227 15 20 [*************-+*****] 1
549 1 32 SER QB 1 37 ILE MD 4.740 4.270 5.200 4.098 4.015 4.383 0.255 7 0 "[ . 1 . 2]" 1
550 1 32 SER QB 1 37 ILE QG 5.040 4.850 5.540 2.937 2.810 3.401 2.040 16 20 [*********-*****+****] 1
551 1 33 SER H 1 33 SER HB2 3.570 3.210 3.930 3.597 3.571 3.619 . 0 0 "[ . 1 . 2]" 1
552 1 33 SER H 1 33 SER HB3 3.510 3.160 3.860 2.780 2.734 2.827 0.426 14 0 "[ . 1 . 2]" 1
553 1 33 SER H 1 34 PHE H 3.500 3.150 3.850 2.855 2.742 2.911 0.408 10 0 "[ . 1 . 2]" 1
554 1 33 SER H 1 34 PHE HA 5.440 4.900 5.980 5.321 5.193 5.381 . 0 0 "[ . 1 . 2]" 1
555 1 33 SER H 1 37 ILE MD 5.500 4.950 6.050 6.070 5.942 6.165 0.115 6 0 "[ . 1 . 2]" 1
556 1 33 SER HB2 1 34 PHE H 4.230 3.810 4.650 3.572 3.499 3.652 0.311 17 0 "[ . 1 . 2]" 1
557 1 33 SER HB3 1 34 PHE H 4.100 3.690 4.510 4.138 4.051 4.211 . 0 0 "[ . 1 . 2]" 1
558 1 34 PHE H 1 34 PHE QB 4.100 3.690 4.510 2.187 2.125 2.235 1.565 12 20 [**-********+********] 1
559 1 34 PHE H 1 35 GLY H 3.160 2.840 3.480 2.495 2.432 2.546 0.408 19 0 "[ . 1 . 2]" 1
560 1 34 PHE H 1 68 ALA MB 5.500 4.950 6.050 5.287 5.197 5.493 . 0 0 "[ . 1 . 2]" 1
561 1 34 PHE QB 1 35 GLY QA 3.910 3.520 4.300 3.501 3.440 3.587 0.080 5 0 "[ . 1 . 2]" 1
562 1 34 PHE QB 1 59 TYR QD 5.060 4.550 5.570 5.485 5.380 5.791 0.221 6 0 "[ . 1 . 2]" 1
563 1 34 PHE QB 1 59 TYR QE 4.740 4.440 5.210 3.539 3.372 3.845 1.068 9 20 [*****-**+***********] 1
564 1 34 PHE QB 1 68 ALA MB 4.410 3.970 4.550 3.408 3.294 3.512 0.676 4 18 "[***+*******- ******]" 1
565 1 35 GLY H 1 36 ASP H 4.250 3.820 4.680 4.174 4.032 4.283 . 0 0 "[ . 1 . 2]" 1
566 1 35 GLY H 1 36 ASP HA 4.650 4.180 5.120 5.010 4.898 5.086 . 0 0 "[ . 1 . 2]" 1
567 1 35 GLY H 1 37 ILE MD 5.500 4.950 6.050 4.831 4.738 4.984 0.212 14 0 "[ . 1 . 2]" 1
568 1 35 GLY QA 1 36 ASP H 3.400 3.060 3.740 2.195 2.150 2.261 0.910 2 20 [*+**************-***] 1
569 1 35 GLY QA 1 36 ASP HA 5.110 4.600 5.620 4.137 4.109 4.173 0.491 15 0 "[ . 1 . 2]" 1
570 1 35 GLY QA 1 36 ASP QB 4.910 4.420 5.400 4.357 4.189 4.497 0.231 2 0 "[ . 1 . 2]" 1
571 1 35 GLY QA 1 59 TYR QD 5.080 4.570 5.590 3.274 2.997 3.595 1.573 8 20 [*****-*+************] 1
572 1 35 GLY QA 1 60 VAL QG 4.790 4.310 5.270 4.642 4.530 4.719 . 0 0 "[ . 1 . 2]" 1
573 1 36 ASP H 1 36 ASP QB 3.510 3.160 3.860 2.639 2.432 2.756 0.728 16 8 "[ * . ** 1 * *+ - *]" 1
574 1 36 ASP H 1 37 ILE H 4.610 4.150 5.070 4.791 4.748 4.840 . 0 0 "[ . 1 . 2]" 1
575 1 36 ASP H 1 59 TYR QD 5.430 4.890 5.970 5.515 5.200 5.804 . 0 0 "[ . 1 . 2]" 1
576 1 36 ASP H 1 60 VAL H 5.290 4.760 5.820 4.890 4.748 5.026 0.012 9 0 "[ . 1 . 2]" 1
577 1 36 ASP H 1 60 VAL QG 5.500 4.950 6.050 4.332 4.223 4.379 0.727 17 20 [***************-+***] 1
578 1 36 ASP H 1 61 GLU QG 5.500 4.950 6.050 5.176 4.422 6.020 0.528 7 1 "[ . + 1 . 2]" 1
579 1 36 ASP HA 1 37 ILE H 2.750 2.470 3.030 2.639 2.561 2.738 . 0 0 "[ . 1 . 2]" 1
580 1 36 ASP HA 1 37 ILE HB 4.690 4.220 5.160 4.270 4.174 4.425 0.046 16 0 "[ . 1 . 2]" 1
581 1 36 ASP HA 1 37 ILE MD 4.560 4.100 5.020 3.938 3.874 4.022 0.226 10 0 "[ . 1 . 2]" 1
582 1 36 ASP HA 1 37 ILE QG 3.940 3.550 4.330 3.306 3.211 3.438 0.339 3 0 "[ . 1 . 2]" 1
583 1 36 ASP QB 1 37 ILE H 4.020 3.620 4.420 2.313 2.200 2.430 1.420 12 20 [***********+*-******] 1
584 1 36 ASP QB 1 60 VAL H 5.460 4.910 6.010 4.817 4.729 4.910 0.181 6 0 "[ . 1 . 2]" 1
585 1 36 ASP QB 1 60 VAL HB 3.820 3.440 4.200 3.421 3.326 3.501 0.114 6 0 "[ . 1 . 2]" 1
586 1 36 ASP QB 1 60 VAL QG . 4.010 4.100 3.064 2.965 3.223 1.045 12 20 [********-**+********] 1
587 1 37 ILE H 1 37 ILE HB 3.270 2.940 3.600 2.626 2.555 2.692 0.385 8 0 "[ . 1 . 2]" 1
588 1 37 ILE H 1 37 ILE MD 4.330 3.900 4.760 3.929 3.862 3.984 0.038 9 0 "[ . 1 . 2]" 1
589 1 37 ILE H 1 37 ILE QG 4.030 3.910 4.430 3.319 3.179 3.386 0.731 9 20 [********+********-**] 1
590 1 37 ILE H 1 37 ILE MG 4.310 3.880 4.740 3.835 3.776 3.893 0.104 8 0 "[ . 1 . 2]" 1
591 1 37 ILE H 1 38 ARG H 5.160 4.640 5.680 4.660 4.614 4.745 0.026 7 0 "[ . 1 . 2]" 1
592 1 37 ILE H 1 60 VAL H 5.500 4.950 6.050 5.288 4.957 5.610 . 0 0 "[ . 1 . 2]" 1
593 1 37 ILE H 1 60 VAL QG 5.500 4.950 6.050 3.977 3.648 4.321 1.302 17 20 [********-*******+***] 1
594 1 37 ILE HA 1 37 ILE MD 4.320 3.890 4.750 1.944 1.881 2.038 2.009 4 20 [***+**********-*****] 1
595 1 37 ILE HA 1 37 ILE QG 4.060 3.810 4.470 3.084 3.053 3.103 0.757 3 20 [**+***************-*] 1
596 1 37 ILE HA 1 37 ILE MG 3.910 3.520 4.300 2.708 2.631 2.794 0.889 2 20 [*+***************-**] 1
597 1 37 ILE HA 1 38 ARG H 3.240 2.920 3.560 2.413 2.351 2.519 0.569 1 10 "[+ ****** 1 .* *-2]" 1
598 1 37 ILE HA 1 39 ASN H 4.230 3.810 4.650 4.714 4.619 4.798 0.148 1 0 "[ . 1 . 2]" 1
599 1 37 ILE HA 1 57 VAL QG 5.500 4.950 6.050 4.771 4.626 5.030 0.324 7 0 "[ . 1 . 2]" 1
600 1 37 ILE HA 1 59 TYR HA 3.340 3.010 3.670 2.937 2.828 3.103 0.182 12 0 "[ . 1 . 2]" 1
601 1 37 ILE HA 1 59 TYR QD 4.760 4.280 5.240 4.708 4.384 4.924 . 0 0 "[ . 1 . 2]" 1
602 1 37 ILE HA 1 60 VAL QG 5.160 4.640 5.680 3.723 3.529 3.903 1.111 17 20 [*******-********+***] 1
603 1 37 ILE HB 1 37 ILE MD 3.860 3.470 4.250 3.251 3.231 3.271 0.239 1 0 "[ . 1 . 2]" 1
604 1 37 ILE HB 1 38 ARG H 4.930 4.440 5.420 4.333 4.223 4.407 0.217 10 0 "[ . 1 . 2]" 1
605 1 37 ILE MD 1 37 ILE MG 3.600 3.240 3.960 2.386 2.286 2.486 0.954 1 20 [+********-**********] 1
606 1 37 ILE MD 1 38 ARG H 5.050 4.540 5.560 3.388 3.255 3.561 1.285 16 20 [*-*************+****] 1
607 1 37 ILE MD 1 39 ASN H 5.500 4.950 6.050 4.804 4.702 4.916 0.248 8 0 "[ . 1 . 2]" 1
608 1 37 ILE MD 1 40 ILE MD 3.990 3.590 4.390 3.737 3.391 4.439 0.199 14 0 "[ . 1 . 2]" 1
609 1 37 ILE MD 1 40 ILE QG 4.820 4.340 5.300 4.530 4.238 4.974 0.102 6 0 "[ . 1 . 2]" 1
610 1 37 ILE MD 1 57 VAL QG 4.360 3.920 4.800 2.393 2.269 2.536 1.651 5 20 [****+********-******] 1
611 1 37 ILE MD 1 59 TYR QE 4.450 4.010 4.890 3.155 2.891 3.486 1.119 3 20 [**+***********-*****] 1
612 1 37 ILE MD 1 60 VAL QG 5.500 4.950 6.050 4.700 4.620 4.782 0.330 14 0 "[ . 1 . 2]" 1
613 1 37 ILE QG 1 38 ARG H 5.190 4.670 5.710 4.710 4.629 4.795 0.041 10 0 "[ . 1 . 2]" 1
614 1 37 ILE QG 1 57 VAL QG 3.240 2.920 3.560 3.434 3.266 3.539 . 0 0 "[ . 1 . 2]" 1
615 1 37 ILE QG 1 59 TYR HA 4.970 4.470 5.470 4.678 4.500 4.845 . 0 0 "[ . 1 . 2]" 1
616 1 37 ILE QG 1 59 TYR QD 5.500 4.950 6.050 4.819 4.423 5.160 0.527 3 1 "[ + . 1 . 2]" 1
617 1 37 ILE QG 1 59 TYR QE 5.070 4.790 5.580 4.880 4.599 5.245 0.191 3 0 "[ . 1 . 2]" 1
618 1 37 ILE MG 1 38 ARG H 3.880 3.490 4.270 2.637 2.444 2.791 1.046 10 20 [**-******+**********] 1
619 1 37 ILE MG 1 38 ARG HA 5.500 4.950 6.050 4.032 3.894 4.180 1.056 8 20 [**-****+************] 1
620 1 37 ILE MG 1 39 ASN H 3.630 3.270 3.990 2.498 2.246 2.857 1.024 17 17 "[ * ** -*********+***]" 1
621 1 37 ILE MG 1 39 ASN HA 4.800 4.320 5.280 3.981 3.851 4.116 0.469 12 0 "[ . 1 . 2]" 1
622 1 37 ILE MG 1 39 ASN QB 5.460 4.910 6.010 4.671 4.538 4.891 0.372 17 0 "[ . 1 . 2]" 1
623 1 37 ILE MG 1 40 ILE H 4.910 4.420 5.400 4.905 4.393 5.207 0.027 2 0 "[ . 1 . 2]" 1
624 1 37 ILE MG 1 40 ILE HA 4.310 3.880 4.740 4.370 4.187 4.747 0.007 16 0 "[ . 1 . 2]" 1
625 1 37 ILE MG 1 40 ILE HB 4.350 3.910 4.790 4.296 3.679 4.748 0.231 3 0 "[ . 1 . 2]" 1
626 1 37 ILE MG 1 40 ILE QG 3.750 3.370 4.130 2.412 2.071 3.137 1.299 14 17 "[**-******* *+* ****]" 1
627 1 37 ILE MG 1 57 VAL HA 5.260 4.730 5.790 4.468 4.331 4.650 0.399 19 0 "[ . 1 . 2]" 1
628 1 37 ILE MG 1 57 VAL QG 3.590 3.230 3.950 3.111 2.890 3.293 0.340 5 0 "[ . 1 . 2]" 1
629 1 37 ILE MG 1 58 GLU H 4.470 4.020 4.920 3.905 3.698 4.091 0.322 14 0 "[ . 1 . 2]" 1
630 1 37 ILE MG 1 59 TYR HA 4.670 4.200 5.140 4.066 3.925 4.225 0.275 5 0 "[ . 1 . 2]" 1
631 1 37 ILE MG 1 60 VAL QG 4.600 4.140 5.060 4.926 4.693 5.038 . 0 0 "[ . 1 . 2]" 1
632 1 38 ARG H 1 38 ARG QB 4.080 3.720 4.490 2.268 2.199 2.331 1.521 19 20 [*****-************+*] 1
633 1 38 ARG H 1 38 ARG QG 4.500 4.050 4.950 3.887 3.774 3.960 0.276 10 0 "[ . 1 . 2]" 1
634 1 38 ARG H 1 39 ASN H 3.500 3.150 3.850 2.886 2.780 2.985 0.370 10 0 "[ . 1 . 2]" 1
635 1 38 ARG H 1 39 ASN HA 5.480 4.930 6.030 5.430 5.341 5.515 . 0 0 "[ . 1 . 2]" 1
636 1 38 ARG H 1 58 GLU H 5.500 4.950 6.050 4.810 4.718 4.888 0.232 19 0 "[ . 1 . 2]" 1
637 1 38 ARG H 1 58 GLU QG 5.500 4.950 6.050 5.074 4.736 5.435 0.214 9 0 "[ . 1 . 2]" 1
638 1 38 ARG H 1 59 TYR H 5.490 4.940 6.040 4.787 4.623 5.183 0.317 12 0 "[ . 1 . 2]" 1
639 1 38 ARG H 1 59 TYR HA 3.760 3.380 4.140 3.435 3.284 3.696 0.096 3 0 "[ . 1 . 2]" 1
640 1 38 ARG H 1 60 VAL H 4.790 4.310 5.270 4.392 4.114 4.777 0.196 19 0 "[ . 1 . 2]" 1
641 1 38 ARG H 1 60 VAL HA 5.030 4.530 5.530 4.831 4.492 5.079 0.038 17 0 "[ . 1 . 2]" 1
642 1 38 ARG H 1 60 VAL QG . 4.950 4.980 3.782 3.689 3.834 1.261 2 20 [*+****************-*] 1
643 1 38 ARG HA 1 38 ARG QD 4.210 3.790 4.630 3.790 2.044 4.146 1.746 7 2 "[ . + - . 2]" 1
644 1 38 ARG HA 1 38 ARG QG 3.210 2.890 3.530 2.356 2.236 2.844 0.654 12 18 "[****** **1*+*****-**]" 1
645 1 38 ARG HA 1 60 VAL QG 4.050 3.640 4.460 3.600 3.436 3.827 0.204 7 0 "[ . 1 . 2]" 1
646 1 38 ARG QB 1 39 ASN H 4.200 3.790 4.620 2.935 2.705 3.149 1.085 3 20 [**+**********-******] 1
647 1 38 ARG QB 1 39 ASN QB 4.510 4.060 4.960 2.872 2.736 3.076 1.324 17 20 [-***************+***] 1
648 1 38 ARG QB 1 58 GLU QB 4.130 3.730 4.540 2.219 2.037 2.448 1.693 17 20 [****-***********+***] 1
649 1 38 ARG QB 1 58 GLU QG 4.350 3.910 4.790 3.289 2.968 3.812 0.942 19 14 "[* *. -****** ** *+*]" 1
650 1 38 ARG QB 1 60 VAL QG 4.480 4.030 4.930 3.836 3.639 4.088 0.391 9 0 "[ . 1 . 2]" 1
651 1 38 ARG QD 1 39 ASN H 4.920 4.430 5.410 5.281 4.604 5.599 0.189 17 0 "[ . 1 . 2]" 1
652 1 38 ARG QD 1 58 GLU QB 5.360 4.820 5.900 3.543 3.115 4.646 1.705 18 18 "[**-*** **1*******+**]" 1
653 1 38 ARG QD 1 60 VAL HA 4.500 4.050 4.950 3.698 2.698 5.138 1.352 19 9 "[ **. 1** - **+*]" 1
654 1 38 ARG QG 1 39 ASN H 5.220 4.700 5.740 4.650 4.485 4.827 0.215 3 0 "[ . 1 . 2]" 1
655 1 38 ARG QG 1 39 ASN QB 4.700 4.230 5.170 3.910 3.724 4.346 0.506 16 1 "[ . 1 .+ 2]" 1
656 1 38 ARG QG 1 60 VAL HA 4.810 4.330 5.290 4.117 3.189 4.545 1.141 10 2 "[ . - + . 2]" 1
657 1 39 ASN H 1 39 ASN QB 4.010 3.610 4.410 3.022 2.947 3.090 0.663 3 20 [**+**********-******] 1
658 1 39 ASN H 1 58 GLU H 4.190 3.770 4.610 3.777 3.585 4.078 0.185 1 0 "[ . 1 . 2]" 1
659 1 39 ASN H 1 58 GLU QB 4.320 3.920 4.750 3.145 2.719 3.296 1.201 1 20 [+************-******] 1
660 1 39 ASN H 1 58 GLU QG 4.980 4.950 5.480 4.978 4.762 5.249 0.188 1 0 "[ . 1 . 2]" 1
661 1 39 ASN H 1 59 TYR HA 5.500 4.950 6.050 5.764 5.571 6.010 . 0 0 "[ . 1 . 2]" 1
662 1 39 ASN H 1 60 VAL H 5.500 4.950 6.050 7.236 6.899 7.621 1.571 13 20 [*********-**+*******] 1
663 1 39 ASN HA 1 40 ILE H 3.550 3.200 3.900 2.664 2.466 2.782 0.734 4 7 "[***+* - 1 . *2]" 1
664 1 39 ASN QB 1 58 GLU H 4.930 4.440 5.420 4.460 4.279 4.665 0.161 5 0 "[ . 1 . 2]" 1
665 1 39 ASN QB 1 58 GLU QB . 4.210 4.400 3.194 3.112 3.286 1.098 5 20 [*-**+***************] 1
666 1 39 ASN QB 1 58 GLU QG 4.770 4.290 5.250 4.009 3.635 4.443 0.655 14 3 "[ . - 1 +.* 2]" 1
667 1 39 ASN QD 1 40 ILE H 4.800 4.320 5.280 3.715 3.499 4.145 0.821 11 17 "[ ***-** **+******* *]" 1
668 1 39 ASN QD 1 58 GLU QB 5.500 4.950 6.050 4.584 4.468 4.706 0.482 14 0 "[ . 1 . 2]" 1
669 1 40 ILE H 1 40 ILE HB 3.560 3.200 3.920 2.965 2.860 3.076 0.340 3 0 "[ . 1 . 2]" 1
670 1 40 ILE H 1 40 ILE MD 5.210 4.690 5.730 4.492 4.167 4.933 0.523 4 2 "[ - +. 1 . 2]" 1
671 1 40 ILE H 1 40 ILE QG 4.430 3.990 4.870 3.312 2.513 3.988 1.477 2 10 "[*+ ** ** 1 * * - *2]" 1
672 1 40 ILE H 1 40 ILE MG 4.200 3.780 4.620 3.925 3.595 4.099 0.185 16 0 "[ . 1 . 2]" 1
673 1 40 ILE H 1 41 GLU H 4.570 4.110 5.030 4.226 4.076 4.408 0.034 14 0 "[ . 1 . 2]" 1
674 1 40 ILE HA 1 40 ILE MD 4.040 3.640 4.440 3.442 2.390 3.811 1.250 18 3 "[ . 1 -. + *]" 1
675 1 40 ILE HA 1 40 ILE MG 3.630 3.270 3.990 2.697 2.271 3.063 0.999 2 10 "[*+ ** ** 1 *-* *2]" 1
676 1 40 ILE HA 1 57 VAL HA 3.270 2.940 3.600 3.362 3.039 3.614 0.014 17 0 "[ . 1 . 2]" 1
677 1 40 ILE HA 1 57 VAL QG 4.550 4.280 5.010 4.019 3.779 4.329 0.501 19 1 "[ . 1 . +2]" 1
678 1 40 ILE HB 1 41 GLU H 4.440 4.000 4.880 4.379 4.009 4.585 . 0 0 "[ . 1 . 2]" 1
679 1 40 ILE HB 1 57 VAL QG 5.500 4.950 6.050 5.070 4.643 5.507 0.307 11 0 "[ . 1 . 2]" 1
680 1 40 ILE MD 1 57 VAL HA 4.310 3.880 4.740 3.987 2.326 4.921 1.554 20 3 "[ . 1 -. * +]" 1
681 1 40 ILE MD 1 57 VAL QG 3.710 3.460 4.080 2.810 2.030 3.504 1.430 18 12 "[ * .* **-** *.**+ *]" 1
682 1 40 ILE QG 1 40 ILE MG 3.350 3.010 3.690 2.504 2.172 2.695 0.838 11 8 "[ * . *+* *.* - *]" 1
683 1 40 ILE QG 1 41 GLU H 4.480 4.030 4.930 4.254 3.478 4.683 0.552 16 1 "[ . 1 .+ 2]" 1
684 1 40 ILE QG 1 57 VAL HA 4.280 3.850 4.710 3.831 2.494 4.636 1.356 11 5 "[ * . -+* .* 2]" 1
685 1 40 ILE QG 1 57 VAL QG . 4.550 4.960 3.383 2.249 4.006 2.301 12 20 [***-*******+********] 1
686 1 40 ILE MG 1 41 GLU H 3.690 3.320 4.060 3.085 2.944 3.306 0.376 19 0 "[ . 1 . 2]" 1
687 1 40 ILE MG 1 41 GLU QB 5.410 4.870 5.950 4.667 4.541 4.804 0.329 10 0 "[ . 1 . 2]" 1
688 1 40 ILE MG 1 42 VAL H 4.430 3.990 4.870 3.459 2.860 3.820 1.130 11 8 "[ * .* *+** .*- 2]" 1
689 1 40 ILE MG 1 56 PHE H 5.500 4.950 6.050 5.179 4.897 5.440 0.053 2 0 "[ . 1 . 2]" 1
690 1 40 ILE MG 1 57 VAL HA 4.530 4.080 4.980 4.002 2.950 4.690 1.130 2 4 "[ + *. - 1 . *2]" 1
691 1 40 ILE MG 1 57 VAL QG . 4.250 4.680 3.182 2.229 3.848 2.021 2 19 "[*+-************ ****]" 1
692 1 41 GLU H 1 41 GLU QB 3.980 3.580 4.370 2.635 2.456 2.751 1.124 6 20 [*****+-*************] 1
693 1 41 GLU H 1 41 GLU QG 4.490 4.040 4.940 4.287 4.147 4.375 . 0 0 "[ . 1 . 2]" 1
694 1 41 GLU H 1 42 VAL H 3.860 3.470 4.250 4.118 3.869 4.343 0.093 14 0 "[ . 1 . 2]" 1
695 1 41 GLU H 1 42 VAL QG 5.050 4.540 5.560 3.938 3.501 4.449 1.039 18 12 "[* ** ***1 -* *+**]" 1
696 1 41 GLU H 1 55 ALA MB 4.410 3.970 4.850 4.903 4.703 5.018 0.168 13 0 "[ . 1 . 2]" 1
697 1 41 GLU H 1 56 PHE H 3.780 3.400 4.160 3.891 3.454 4.050 . 0 0 "[ . 1 . 2]" 1
698 1 41 GLU H 1 56 PHE HA 4.700 4.230 5.170 5.203 4.761 5.390 0.220 1 0 "[ . 1 . 2]" 1
699 1 41 GLU H 1 56 PHE QB 5.500 4.950 6.050 3.201 2.634 3.578 2.316 12 20 [-**********+********] 1
700 1 41 GLU H 1 57 VAL QG 4.320 3.890 4.750 4.417 4.210 4.619 . 0 0 "[ . 1 . 2]" 1
701 1 41 GLU HA 1 41 GLU QG 4.020 3.740 4.420 2.564 2.256 2.746 1.484 13 20 [************+*-*****] 1
702 1 41 GLU HA 1 42 VAL H 3.510 3.160 3.860 2.197 2.098 2.305 1.062 8 20 [*****-*+************] 1
703 1 41 GLU HA 1 43 PRO QD 4.370 3.930 4.810 4.334 4.113 4.828 0.018 20 0 "[ . 1 . 2]" 1
704 1 41 GLU QB 1 42 VAL H 4.810 4.640 5.290 4.053 4.005 4.114 0.635 8 20 [*******+**-*********] 1
705 1 41 GLU QB 1 56 PHE H 4.500 4.180 4.950 3.385 2.654 3.750 1.526 14 18 "[****.****-***+* ****]" 1
706 1 41 GLU QB 1 56 PHE QD 4.710 4.280 5.180 2.646 2.408 3.058 1.872 16 20 [********-******+****] 1
707 1 41 GLU QB 1 56 PHE QE 4.860 4.370 5.350 4.454 4.212 4.595 0.158 16 0 "[ . 1 . 2]" 1
708 1 41 GLU QG 1 42 VAL H . 4.150 4.400 3.591 3.351 3.927 0.799 7 12 "[**-** +* 1 * ****]" 1
709 1 41 GLU QG 1 43 PRO QD 4.690 4.670 5.160 2.810 2.572 3.126 2.098 1 20 [+***********-*******] 1
710 1 41 GLU QG 1 56 PHE H 5.300 4.770 5.830 4.641 4.374 5.069 0.396 20 0 "[ . 1 . 2]" 1
711 1 41 GLU QG 1 56 PHE QD 4.840 4.360 5.320 3.745 2.792 4.093 1.568 16 9 "[ . ** 1* -**+ * *]" 1
712 1 42 VAL H 1 42 VAL QG 3.880 3.490 4.270 2.884 2.321 3.158 1.169 16 7 "[ *-. *** .+ *]" 1
713 1 42 VAL H 1 43 PRO QD 5.480 4.930 6.030 3.622 3.331 4.168 1.599 9 20 [********+******-****] 1
714 1 42 VAL H 1 55 ALA MB 5.500 4.950 6.050 4.943 4.737 5.161 0.213 10 0 "[ . 1 . 2]" 1
715 1 42 VAL QG 1 43 PRO QD 5.090 4.860 5.600 3.333 2.706 3.462 2.154 16 20 [**************-+****] 1
716 1 42 VAL QG 1 44 LEU HG 4.850 4.370 5.330 4.254 4.156 4.314 0.214 6 0 "[ . 1 . 2]" 1
717 1 42 VAL QG 1 54 PHE H 5.310 4.780 5.840 5.423 4.886 5.754 . 0 0 "[ . 1 . 2]" 1
718 1 42 VAL QG 1 55 ALA H 5.500 4.950 6.050 4.935 4.668 5.310 0.282 19 0 "[ . 1 . 2]" 1
719 1 42 VAL QG 1 55 ALA HA 3.980 3.580 4.380 3.544 3.316 3.760 0.264 19 0 "[ . 1 . 2]" 1
720 1 42 VAL QG 1 55 ALA MB 3.530 3.180 3.880 2.042 1.804 2.834 1.376 19 19 "[*********-***** **+*]" 1
721 1 42 VAL QG 1 56 PHE H 5.320 4.790 5.850 3.952 3.427 4.535 1.363 19 15 "[** ******1 *-* **+*]" 1
722 1 43 PRO HA 1 44 LEU H 2.790 2.510 3.070 2.288 2.251 2.340 0.259 12 0 "[ . 1 . 2]" 1
723 1 43 PRO HA 1 44 LEU QB 4.580 4.120 5.040 4.157 3.911 4.678 0.209 6 0 "[ . 1 . 2]" 1
724 1 43 PRO HA 1 44 LEU QD 5.290 4.820 5.820 4.336 4.220 4.508 0.600 19 11 "[* -**** * . **+*]" 1
725 1 43 PRO HB3 1 44 LEU H 4.250 3.820 4.680 3.905 3.719 4.208 0.101 17 0 "[ . 1 . 2]" 1
726 1 43 PRO HB3 1 54 PHE QE 4.880 4.390 5.370 5.568 5.455 5.759 0.389 16 0 "[ . 1 . 2]" 1
727 1 43 PRO QD 1 54 PHE QE 5.460 4.950 6.010 4.288 4.180 4.416 0.770 12 20 [*******-***+********] 1
728 1 43 PRO QD 1 55 ALA HA 4.220 3.800 4.640 3.438 3.291 3.827 0.509 20 1 "[ . 1 . +]" 1
729 1 43 PRO QD 1 55 ALA MB 5.450 4.900 5.530 3.907 3.576 4.327 1.324 2 20 [*+*************-****] 1
730 1 43 PRO QD 1 56 PHE H 5.330 4.800 5.860 4.305 4.139 4.814 0.661 6 12 "[ * **+***1 * - ***]" 1
731 1 43 PRO QD 1 56 PHE QD 5.500 4.950 6.050 4.857 4.189 5.343 0.761 20 3 "[ . 1- * . +]" 1
732 1 43 PRO QG 1 44 LEU H 4.970 4.470 5.470 4.625 4.419 4.903 0.051 11 0 "[ . 1 . 2]" 1
733 1 43 PRO QG 1 44 LEU QD 5.330 4.800 5.860 4.454 4.054 4.817 0.746 14 6 "[ - . * 1* *+.* 2]" 1
734 1 43 PRO QG 1 51 ASN HA 4.450 4.010 4.890 3.919 3.795 4.112 0.215 17 0 "[ . 1 . 2]" 1
735 1 43 PRO QG 1 54 PHE QD 5.150 4.630 5.670 4.419 4.282 4.562 0.348 15 0 "[ . 1 . 2]" 1
736 1 43 PRO QG 1 54 PHE QE 4.190 3.770 4.610 3.559 3.458 3.672 0.312 11 0 "[ . 1 . 2]" 1
737 1 43 PRO QG 1 55 ALA HA 5.500 4.950 6.050 4.728 4.567 5.451 0.383 5 0 "[ . 1 . 2]" 1
738 1 43 PRO QG 1 56 PHE QE 5.490 4.940 6.040 5.939 5.280 6.164 0.124 1 0 "[ . 1 . 2]" 1
739 1 44 LEU H 1 44 LEU QB 3.690 3.690 4.060 2.755 2.496 2.824 1.194 9 20 [*******-+***********] 1
740 1 44 LEU H 1 44 LEU QD . 4.460 4.680 3.711 3.387 3.870 1.073 9 20 [********+****-******] 1
741 1 44 LEU H 1 45 ASN H 4.940 4.450 5.430 4.372 4.117 4.456 0.333 4 0 "[ . 1 . 2]" 1
742 1 44 LEU HA 1 45 ASN H 3.280 2.950 3.610 2.478 2.273 2.594 0.677 19 4 "[ -. * *1 . +2]" 1
743 1 44 LEU HA 1 51 ASN HA 3.360 3.020 3.700 3.191 2.874 3.785 0.146 19 0 "[ . 1 . 2]" 1
744 1 44 LEU HA 1 51 ASN QB 4.840 4.360 5.320 4.126 3.451 4.445 0.909 17 2 "[ . -1 . + 2]" 1
745 1 44 LEU QB 1 45 ASN H . 4.200 4.440 3.353 3.103 3.729 1.097 1 19 "[+** ************-***]" 1
746 1 44 LEU QB 1 49 LYS HA . 4.120 4.410 3.563 3.379 3.776 0.741 9 13 "[****. *-+1*** . * **]" 1
747 1 44 LEU QB 1 49 LYS HB3 5.500 4.950 6.050 5.677 5.393 5.826 . 0 0 "[ . 1 . 2]" 1
748 1 44 LEU QB 1 49 LYS QG 3.760 3.380 4.140 3.639 3.207 4.058 0.173 10 0 "[ . 1 . 2]" 1
749 1 44 LEU QB 1 50 LYS H 5.310 4.780 5.840 4.961 4.307 5.908 0.473 6 0 "[ . 1 . 2]" 1
750 1 44 LEU QD 1 45 ASN H 4.950 4.950 5.440 3.428 2.996 3.800 1.954 3 20 [**+-****************] 1
751 1 44 LEU QD 1 49 LYS H 5.500 4.950 6.050 5.328 5.208 5.481 . 0 0 "[ . 1 . 2]" 1
752 1 44 LEU QD 1 49 LYS HA . 4.460 4.710 3.611 3.424 3.758 1.036 4 20 [***+*********-******] 1
753 1 44 LEU QD 1 49 LYS HB2 4.840 4.360 5.320 4.587 4.333 4.837 0.027 13 0 "[ . 1 . 2]" 1
754 1 44 LEU QD 1 49 LYS QE 5.410 4.870 5.950 4.070 3.531 4.409 1.339 13 19 "[*** ********+*****-*]" 1
755 1 44 LEU QD 1 50 LYS H 5.350 4.950 5.890 3.870 2.926 4.669 2.024 6 13 "[ ***+* ** * * **-*]" 1
756 1 44 LEU QD 1 50 LYS HA 4.540 4.090 4.990 3.861 3.327 4.393 0.763 20 3 "[ - . 1 * . +]" 1
757 1 44 LEU QD 1 50 LYS QD 3.780 3.400 4.160 4.665 4.301 5.114 0.954 7 9 "[ **+ -* * ***2]" 1
758 1 44 LEU QD 1 51 ASN H 5.420 4.880 5.460 3.658 3.450 4.018 1.430 12 20 [***-*******+********] 1
759 1 44 LEU QD 1 51 ASN QB 4.420 4.230 4.860 2.289 1.981 2.571 2.249 2 20 [*+******-***********] 1
760 1 44 LEU QD 1 51 ASN QD 5.500 4.950 6.050 3.174 2.679 3.486 2.271 17 20 [**-*************+***] 1
761 1 44 LEU QD 1 52 ARG H 5.500 4.950 6.050 4.980 4.704 5.460 0.246 11 0 "[ . 1 . 2]" 1
762 1 45 ASN H 1 45 ASN QB 3.630 3.280 3.990 2.521 2.219 2.656 1.061 4 20 [***+**********-*****] 1
763 1 45 ASN H 1 46 MET H 4.980 4.480 5.480 4.564 4.467 4.682 0.013 16 0 "[ . 1 . 2]" 1
764 1 45 ASN H 1 48 THR H 5.500 4.950 6.050 5.117 4.878 5.864 0.072 8 0 "[ . 1 . 2]" 1
765 1 45 ASN H 1 50 LYS H 4.000 3.600 4.400 2.481 1.685 3.531 1.915 15 12 "[ * *** ** * + **-*]" 1
766 1 45 ASN H 1 50 LYS QD 4.490 4.040 4.940 4.527 2.964 5.321 1.076 4 3 "[ +. 1 *-. 2]" 1
767 1 45 ASN HA 1 46 MET H 3.520 3.170 3.870 2.338 2.266 2.402 0.904 4 20 [*-*+****************] 1
768 1 45 ASN HA 1 46 MET QB 4.740 4.270 5.210 4.314 4.118 4.782 0.152 9 0 "[ . 1 . 2]" 1
769 1 45 ASN HA 1 47 THR H 4.480 4.030 4.930 4.222 4.042 4.405 . 0 0 "[ . 1 . 2]" 1
770 1 45 ASN QB 1 46 MET H 5.390 4.850 5.930 3.831 3.582 3.989 1.268 11 20 [****-*****+*********] 1
771 1 45 ASN QB 1 47 THR H 5.500 4.950 6.050 3.553 3.081 4.205 1.869 1 20 [+*****-*************] 1
772 1 45 ASN QB 1 48 THR H 5.090 4.950 5.600 3.532 2.940 4.424 2.010 2 20 [*+****-*************] 1
773 1 45 ASN QB 1 48 THR MG 4.950 4.460 5.440 4.158 3.807 5.975 0.653 8 3 "[ .*-+ 1 . 2]" 1
774 1 45 ASN QB 1 49 LYS H 5.280 4.750 5.810 3.833 3.222 4.254 1.528 1 19 "[+***** **********-**]" 1
775 1 45 ASN QB 1 49 LYS HA 4.850 4.370 5.330 4.056 3.786 4.379 0.584 1 2 "[+ .- 1 . 2]" 1
776 1 45 ASN QB 1 50 LYS H 3.870 3.780 4.260 2.910 1.995 3.473 1.785 9 10 "[ * *** +* * . - **]" 1
777 1 45 ASN HD21 1 47 THR HB 5.160 4.640 5.680 5.042 4.451 5.720 0.189 15 0 "[ . 1 . 2]" 1
778 1 45 ASN HD21 1 48 THR MG 4.820 4.340 5.300 5.007 4.392 5.443 0.143 7 0 "[ . 1 . 2]" 1
779 1 45 ASN HD22 1 47 THR HB 4.800 4.320 5.280 4.484 4.058 4.827 0.262 7 0 "[ . 1 . 2]" 1
780 1 45 ASN HD22 1 48 THR MG 5.000 4.500 5.500 5.426 4.945 5.722 0.222 11 0 "[ . 1 . 2]" 1
781 1 46 MET H 1 46 MET QB 3.780 3.400 4.160 2.272 2.129 2.987 1.271 17 19 "[************* **+*-*]" 1
782 1 46 MET H 1 46 MET QG 4.470 4.070 4.920 3.442 2.129 4.074 1.941 14 10 "[ ***. * *-+* **]" 1
783 1 46 MET H 1 47 THR H 3.680 3.310 4.050 3.049 2.939 3.187 0.371 2 0 "[ . 1 . 2]" 1
784 1 46 MET H 1 48 THR H 4.860 4.370 5.350 5.279 5.139 5.429 0.079 5 0 "[ . 1 . 2]" 1
785 1 46 MET H 1 49 LYS H 5.500 4.950 6.050 5.066 4.982 5.273 . 0 0 "[ . 1 . 2]" 1
786 1 46 MET HA 1 46 MET QB 2.960 2.660 3.260 2.519 2.208 2.590 0.452 14 0 "[ . 1 . 2]" 1
787 1 46 MET HA 1 46 MET QG 4.070 3.660 4.470 2.369 2.132 3.368 1.528 10 19 "[*********+*** ***-**]" 1
788 1 46 MET HA 1 48 THR H 4.930 4.440 5.420 4.876 4.541 5.238 . 0 0 "[ . 1 . 2]" 1
789 1 46 MET HA 1 49 LYS H 4.070 3.660 4.480 3.806 3.512 4.135 0.148 18 0 "[ . 1 . 2]" 1
790 1 46 MET HA 1 49 LYS HA 4.450 4.010 4.890 4.304 3.907 4.736 0.103 20 0 "[ . 1 . 2]" 1
791 1 46 MET HA 1 49 LYS QD 5.320 4.790 5.850 4.768 4.611 5.268 0.179 19 0 "[ . 1 . 2]" 1
792 1 46 MET QB 1 47 THR H 4.430 3.990 4.870 3.627 3.564 3.933 0.426 8 0 "[ . 1 . 2]" 1
793 1 46 MET QB 1 47 THR HA 4.650 4.180 5.120 4.198 4.093 4.622 0.087 7 0 "[ . 1 . 2]" 1
794 1 46 MET QB 1 48 THR H 5.500 4.950 6.050 5.742 5.570 5.884 . 0 0 "[ . 1 . 2]" 1
795 1 46 MET QG 1 47 THR H 5.300 4.770 5.830 4.805 3.354 5.010 1.416 14 1 "[ . 1 +. 2]" 1
796 1 47 THR H 1 47 THR HB 3.350 3.010 3.690 2.674 2.593 2.784 0.417 4 0 "[ . 1 . 2]" 1
797 1 47 THR H 1 47 THR MG 4.180 3.760 4.600 3.935 3.901 3.960 . 0 0 "[ . 1 . 2]" 1
798 1 47 THR H 1 48 THR H 3.160 2.840 3.480 2.655 2.534 2.741 0.306 11 0 "[ . 1 . 2]" 1
799 1 47 THR H 1 48 THR MG 5.090 4.580 5.600 4.505 4.364 4.873 0.216 9 0 "[ . 1 . 2]" 1
800 1 47 THR H 1 49 LYS H 3.670 3.300 4.040 3.553 3.327 3.784 . 0 0 "[ . 1 . 2]" 1
801 1 47 THR HA 1 47 THR MG 3.350 3.010 3.690 2.571 2.509 2.611 0.501 7 1 "[ . + 1 . 2]" 1
802 1 47 THR HA 1 48 THR MG 4.850 4.370 5.330 4.789 4.514 5.084 . 0 0 "[ . 1 . 2]" 1
803 1 47 THR HB 1 48 THR H 3.460 3.110 3.810 2.848 2.693 2.920 0.417 7 0 "[ . 1 . 2]" 1
804 1 47 THR HB 1 48 THR MG 3.920 3.530 4.310 3.299 3.163 3.432 0.367 15 0 "[ . 1 . 2]" 1
805 1 47 THR HB 1 49 LYS H 4.740 4.270 5.210 5.009 4.834 5.141 . 0 0 "[ . 1 . 2]" 1
806 1 47 THR HB 1 50 LYS QG 4.780 4.300 5.260 5.338 4.953 5.572 0.312 15 0 "[ . 1 . 2]" 1
807 1 47 THR MG 1 48 THR H 4.330 3.900 4.760 3.537 3.410 3.663 0.490 9 0 "[ . 1 . 2]" 1
808 1 47 THR MG 1 48 THR HA 4.430 3.990 4.870 4.059 3.944 4.178 0.046 13 0 "[ . 1 . 2]" 1
809 1 47 THR MG 1 48 THR MG 2.450 2.200 2.700 2.874 2.728 3.145 0.445 11 0 "[ . 1 . 2]" 1
810 1 47 THR MG 1 49 LYS H 5.060 4.550 5.570 5.290 5.109 5.381 . 0 0 "[ . 1 . 2]" 1
811 1 48 THR H 1 48 THR HB 3.830 3.450 4.210 3.601 3.377 3.915 0.073 11 0 "[ . 1 . 2]" 1
812 1 48 THR H 1 48 THR MG 3.420 3.080 3.760 2.539 2.312 2.926 0.768 9 13 "[ * ** -+* * **** **]" 1
813 1 48 THR H 1 49 LYS H 3.000 2.700 3.300 2.383 2.278 2.458 0.422 4 0 "[ . 1 . 2]" 1
814 1 48 THR H 1 49 LYS HA 5.370 4.830 5.910 4.418 4.087 4.495 0.743 4 1 "[ +. 1 . 2]" 1
815 1 48 THR HA 1 48 THR MG 3.280 2.950 3.610 3.134 2.475 3.307 0.475 7 0 "[ . 1 . 2]" 1
816 1 48 THR HA 1 50 LYS QG 4.750 4.280 5.220 4.782 4.273 5.249 0.029 11 0 "[ . 1 . 2]" 1
817 1 48 THR HB 1 49 LYS H 4.880 4.390 5.370 4.744 4.439 4.836 . 0 0 "[ . 1 . 2]" 1
818 1 48 THR HB 1 50 LYS QG 4.540 4.090 4.990 4.379 3.966 4.845 0.124 7 0 "[ . 1 . 2]" 1
819 1 48 THR MG 1 49 LYS H 4.620 4.160 5.080 4.004 3.851 4.467 0.309 16 0 "[ . 1 . 2]" 1
820 1 48 THR MG 1 50 LYS QD 3.830 3.450 4.210 3.604 3.137 4.454 0.313 20 0 "[ . 1 . 2]" 1
821 1 49 LYS H 1 49 LYS QD 4.500 4.050 4.950 4.482 4.091 4.800 . 0 0 "[ . 1 . 2]" 1
822 1 49 LYS H 1 49 LYS QG 4.600 4.140 5.060 4.354 4.176 4.536 . 0 0 "[ . 1 . 2]" 1
823 1 49 LYS H 1 50 LYS H 3.530 3.180 3.880 3.203 2.924 3.662 0.256 1 0 "[ . 1 . 2]" 1
824 1 49 LYS H 1 50 LYS QD 5.050 4.540 5.560 4.784 4.484 5.618 0.058 11 0 "[ . 1 . 2]" 1
825 1 49 LYS HA 1 49 LYS QD 4.120 3.710 4.530 3.001 2.283 3.503 1.427 3 10 "[**+ . - *1** *. **]" 1
826 1 49 LYS HA 1 49 LYS QG 3.910 3.520 4.300 2.697 2.334 3.040 1.186 10 18 "[**-******+* *******2]" 1
827 1 49 LYS HA 1 50 LYS H 3.550 3.200 3.900 2.599 2.222 3.032 0.978 6 11 "[ **+* ** * **-*]" 1
828 1 49 LYS HA 1 50 LYS HA 4.470 4.020 4.920 4.580 4.425 4.787 . 0 0 "[ . 1 . 2]" 1
829 1 49 LYS HA 1 50 LYS QD 4.150 3.730 4.570 4.661 4.317 5.265 0.695 11 1 "[ . 1+ . 2]" 1
830 1 49 LYS HB3 1 49 LYS QE 3.690 3.320 4.060 3.252 2.905 3.647 0.415 15 0 "[ . 1 . 2]" 1
831 1 49 LYS HB3 1 50 LYS H 5.110 4.600 5.620 4.431 4.189 4.586 0.411 1 0 "[ . 1 . 2]" 1
832 1 49 LYS QD 1 50 LYS H 5.130 4.620 5.640 5.149 4.580 5.871 0.231 13 0 "[ . 1 . 2]" 1
833 1 50 LYS H 1 50 LYS QD 4.210 3.790 4.630 3.457 2.418 3.791 1.372 4 3 "[ +. 1 *.- 2]" 1
834 1 50 LYS H 1 50 LYS QG 4.460 4.010 4.910 2.784 1.754 3.640 2.256 16 14 "[****- **1****.+ **]" 1
835 1 50 LYS H 1 51 ASN H 4.560 4.100 5.020 4.507 4.179 4.719 . 0 0 "[ . 1 . 2]" 1
836 1 50 LYS HA 1 50 LYS QD 3.670 3.300 4.040 2.883 2.007 4.144 1.293 12 12 "[ * *** ** + * -***]" 1
837 1 50 LYS HA 1 50 LYS QG 4.150 3.730 4.570 3.339 3.143 3.534 0.587 3 4 "[ + . -1 * . *]" 1
838 1 50 LYS HA 1 51 ASN H 3.540 3.190 3.890 2.297 2.216 2.415 0.974 5 20 [***-+***************] 1
839 1 50 LYS QB 1 50 LYS QD 3.160 2.840 3.480 2.795 2.413 2.961 0.427 11 0 "[ . 1 . 2]" 1
840 1 50 LYS QB 1 51 ASN H 3.780 3.400 4.160 3.102 2.955 3.256 0.445 3 0 "[ . 1 . 2]" 1
841 1 50 LYS QB 1 52 ARG QG 3.940 3.550 4.330 4.201 3.921 4.395 0.065 15 0 "[ . 1 . 2]" 1
842 1 50 LYS QD 1 51 ASN H 4.620 4.160 5.080 4.198 3.858 4.591 0.302 19 0 "[ . 1 . 2]" 1
843 1 50 LYS QD 1 52 ARG H 5.500 4.950 6.050 4.777 2.721 5.390 2.229 11 4 "[-* . 1+ .* 2]" 1
844 1 50 LYS QG 1 51 ASN H 5.350 4.810 5.890 4.766 4.644 4.875 0.166 3 0 "[ . 1 . 2]" 1
845 1 51 ASN H 1 51 ASN QB 3.890 3.500 4.280 2.941 2.799 3.030 0.701 20 16 "[* *-*** ***** * ***+]" 1
846 1 51 ASN H 1 51 ASN QD 4.740 4.270 5.210 2.347 1.970 2.638 2.300 20 20 [*******-***********+] 1
847 1 51 ASN H 1 52 ARG H 4.540 4.090 4.990 2.399 2.176 2.569 1.914 14 20 [******-******+******] 1
848 1 51 ASN H 1 52 ARG QG 5.500 4.950 6.050 4.687 4.556 4.880 0.394 4 0 "[ . 1 . 2]" 1
849 1 51 ASN H 1 53 GLY H 4.910 4.420 5.400 4.302 4.225 4.418 0.195 8 0 "[ . 1 . 2]" 1
850 1 51 ASN HA 1 52 ARG QG 4.260 3.830 4.620 3.565 3.480 3.710 0.350 5 0 "[ . 1 . 2]" 1
851 1 51 ASN QB 1 52 ARG H . 4.440 4.660 3.920 3.833 3.976 0.607 13 14 "[* **.* -** *+*.* ***]" 1
852 1 51 ASN QB 1 53 GLY H 5.040 4.800 5.540 4.343 4.235 4.571 0.565 13 10 "[ **. - ** *+ . ***]" 1
853 1 51 ASN QB 1 54 PHE H 5.500 4.950 6.050 3.377 3.164 3.624 1.786 10 20 [*********+*****-****] 1
854 1 51 ASN QD 1 53 GLY H 5.500 4.950 6.050 4.154 3.828 4.431 1.122 13 20 [************+***-***] 1
855 1 51 ASN QD 1 54 PHE H 4.660 4.190 5.130 4.959 4.829 5.028 . 0 0 "[ . 1 . 2]" 1
856 1 52 ARG H 1 52 ARG HD3 4.750 4.280 5.220 4.818 4.652 5.053 . 0 0 "[ . 1 . 2]" 1
857 1 52 ARG H 1 53 GLY H 3.820 3.440 4.200 3.200 2.990 3.291 0.450 8 0 "[ . 1 . 2]" 1
858 1 52 ARG H 1 54 PHE H 4.760 4.280 5.240 4.906 4.709 5.102 . 0 0 "[ . 1 . 2]" 1
859 1 52 ARG HA 1 52 ARG HD2 5.380 4.840 5.920 4.936 4.786 5.160 0.054 20 0 "[ . 1 . 2]" 1
860 1 52 ARG HA 1 52 ARG HD3 5.350 4.810 5.890 4.585 4.415 4.746 0.395 10 0 "[ . 1 . 2]" 1
861 1 52 ARG HA 1 52 ARG QG 3.940 3.550 4.330 3.334 3.275 3.374 0.275 17 0 "[ . 1 . 2]" 1
862 1 52 ARG HA 1 54 PHE H 5.240 4.720 5.760 4.763 4.674 4.867 0.046 11 0 "[ . 1 . 2]" 1
863 1 52 ARG HB2 1 52 ARG HD3 3.820 3.440 4.200 3.317 3.174 3.398 0.266 10 0 "[ . 1 . 2]" 1
864 1 52 ARG HB2 1 54 PHE QE 4.520 4.070 4.970 4.081 3.928 4.420 0.142 19 0 "[ . 1 . 2]" 1
865 1 52 ARG HB3 1 53 GLY H 5.320 4.790 5.850 4.659 4.606 4.715 0.184 10 0 "[ . 1 . 2]" 1
866 1 52 ARG HB3 1 54 PHE QE 4.780 4.300 5.260 5.483 5.414 5.608 0.348 14 0 "[ . 1 . 2]" 1
867 1 52 ARG HD2 1 54 PHE QE 4.740 4.270 5.210 4.078 3.910 4.179 0.360 16 0 "[ . 1 . 2]" 1
868 1 52 ARG HD3 1 54 PHE QE 4.900 4.410 5.390 5.457 5.182 5.602 0.212 9 0 "[ . 1 . 2]" 1
869 1 52 ARG QG 1 53 GLY H 5.310 4.780 5.840 4.642 4.561 4.725 0.219 15 0 "[ . 1 . 2]" 1
870 1 52 ARG QG 1 54 PHE H 5.500 4.950 6.050 4.701 4.523 4.969 0.427 15 0 "[ . 1 . 2]" 1
871 1 52 ARG QG 1 54 PHE QE 5.480 4.930 6.030 3.043 2.845 3.357 2.085 2 20 [*+*************-****] 1
872 1 53 GLY H 1 54 PHE H 3.630 3.270 3.990 3.063 3.018 3.123 0.252 6 0 "[ . 1 . 2]" 1
873 1 53 GLY QA 1 54 PHE QB 4.710 4.240 5.180 3.480 3.355 3.606 0.885 20 20 [***-***************+] 1
874 1 53 GLY QA 1 54 PHE QD 5.300 4.770 5.830 4.060 3.552 4.715 1.218 7 12 "[ * **+ *- ** * ***]" 1
875 1 54 PHE H 1 54 PHE QD 4.290 3.860 4.720 3.432 3.240 3.559 0.620 13 2 "[ . 1 + . -2]" 1
876 1 54 PHE H 1 55 ALA H 4.540 4.090 4.990 4.204 4.086 4.301 0.004 15 0 "[ . 1 . 2]" 1
877 1 54 PHE H 1 55 ALA MB 5.500 4.950 6.050 4.556 4.326 4.756 0.624 2 2 "[-+ . 1 . 2]" 1
878 1 54 PHE HA 1 54 PHE QD 4.490 4.040 4.940 3.825 3.690 3.858 0.350 8 0 "[ . 1 . 2]" 1
879 1 54 PHE HA 1 55 ALA H 3.360 3.020 3.700 2.393 2.306 2.456 0.714 16 20 [***************+***-] 1
880 1 54 PHE HA 1 55 ALA MB 5.120 4.610 5.630 4.310 4.239 4.366 0.371 8 0 "[ . 1 . 2]" 1
881 1 54 PHE QB 1 55 ALA H 4.310 4.110 4.740 3.593 3.503 3.748 0.607 8 15 "[-******+ * ** * * **]" 1
882 1 54 PHE QD 1 55 ALA H 5.210 4.690 5.730 4.290 3.730 4.438 0.960 8 2 "[- . + 1 . 2]" 1
883 1 54 PHE QD 1 55 ALA HA 4.560 4.100 5.020 4.027 3.945 4.293 0.155 15 0 "[ . 1 . 2]" 1
884 1 54 PHE QE 1 55 ALA HA 4.950 4.460 5.440 4.961 4.681 5.162 . 0 0 "[ . 1 . 2]" 1
885 1 55 ALA HA 1 56 PHE QD 4.460 4.010 4.910 4.217 3.257 4.653 0.753 9 2 "[ . +1 - . 2]" 1
886 1 55 ALA HA 1 56 PHE QE 4.670 4.200 5.140 5.257 5.041 5.417 0.277 15 0 "[ . 1 . 2]" 1
887 1 55 ALA MB 1 56 PHE H 3.480 3.130 3.830 2.881 2.791 2.979 0.339 8 0 "[ . 1 . 2]" 1
888 1 55 ALA MB 1 56 PHE HA 4.570 4.110 5.030 4.213 4.090 4.333 0.020 19 0 "[ . 1 . 2]" 1
889 1 55 ALA MB 1 57 VAL QG 4.030 3.630 4.430 3.458 3.344 3.575 0.286 13 0 "[ . 1 . 2]" 1
890 1 56 PHE H 1 56 PHE QD 4.920 4.430 5.410 3.087 2.461 3.487 1.969 9 20 [********+********-**] 1
891 1 56 PHE H 1 56 PHE QE 5.500 4.950 6.050 4.779 4.658 4.902 0.292 20 0 "[ . 1 . 2]" 1
892 1 56 PHE H 1 57 VAL H 5.180 4.660 5.700 4.723 4.682 4.769 . 0 0 "[ . 1 . 2]" 1
893 1 56 PHE H 1 57 VAL QG 5.500 4.950 6.050 4.573 4.493 4.612 0.457 16 0 "[ . 1 . 2]" 1
894 1 56 PHE HA 1 56 PHE QD 4.310 3.880 4.740 2.650 2.214 3.236 1.666 18 20 [***********-*****+**] 1
895 1 56 PHE HA 1 56 PHE QE 5.260 4.730 5.790 4.644 4.477 4.827 0.253 18 0 "[ . 1 . 2]" 1
896 1 56 PHE HA 1 57 VAL H 3.110 2.800 3.420 2.451 2.366 2.557 0.434 19 0 "[ . 1 . 2]" 1
897 1 56 PHE HA 1 57 VAL HB 5.020 4.520 5.520 4.812 4.614 5.151 . 0 0 "[ . 1 . 2]" 1
898 1 56 PHE HA 1 57 VAL QG 4.890 4.400 5.380 4.065 3.876 4.177 0.524 17 2 "[ . 1 -. + 2]" 1
899 1 56 PHE QB 1 57 VAL H 4.860 4.370 5.350 2.948 2.850 3.016 1.520 17 20 [*-**************+***] 1
900 1 56 PHE QD 1 57 VAL H 5.500 4.950 6.050 4.169 3.994 4.488 0.956 13 19 "[*-****** ***+*******]" 1
901 1 56 PHE QD 1 87 SER QB 4.580 4.120 5.040 4.070 3.811 4.549 0.309 1 0 "[ . 1 . 2]" 1
902 1 56 PHE QE 1 87 SER QB 4.520 4.070 4.970 4.139 3.886 4.805 0.184 14 0 "[ . 1 . 2]" 1
903 1 57 VAL H 1 57 VAL HB 3.830 3.450 4.210 3.061 2.976 3.245 0.474 19 0 "[ . 1 . 2]" 1
904 1 57 VAL H 1 58 GLU H 4.710 4.240 5.180 4.068 3.952 4.164 0.288 20 0 "[ . 1 . 2]" 1
905 1 57 VAL HA 1 58 GLU H 3.070 2.760 3.380 2.415 2.331 2.493 0.429 8 0 "[ . 1 . 2]" 1
906 1 57 VAL HB 1 58 GLU H 5.240 4.720 5.760 4.651 4.503 4.708 0.217 6 0 "[ . 1 . 2]" 1
907 1 57 VAL HB 1 59 TYR QE 5.080 4.570 5.590 5.788 5.613 6.426 0.836 12 1 "[ . 1 + . 2]" 1
908 1 57 VAL QG 1 59 TYR QD 5.340 4.810 5.870 2.889 2.692 3.283 2.118 16 20 [***************+***-] 1
909 1 58 GLU H 1 58 GLU QB 4.110 3.700 4.520 2.026 1.922 2.098 1.778 17 20 [*****-**********+***] 1
910 1 58 GLU H 1 58 GLU QG 4.870 4.380 4.880 3.817 3.450 3.942 0.930 17 12 "[ ******* 1 ***+ -2]" 1
911 1 58 GLU H 1 59 TYR H 5.250 4.720 5.780 4.696 4.629 4.754 0.091 8 0 "[ . 1 . 2]" 1
912 1 58 GLU HA 1 58 GLU QG 3.780 3.400 4.160 2.647 2.145 2.924 1.255 5 18 "[* **+*- ************]" 1
913 1 58 GLU HA 1 59 TYR H 3.260 2.930 3.590 2.391 2.319 2.512 0.611 10 16 "[-***.****+****** *]" 1
914 1 58 GLU QG 1 59 TYR H 4.870 4.690 5.360 3.542 2.972 4.177 1.718 6 20 [*****+**********-***] 1
915 1 59 TYR H 1 59 TYR QB 4.070 3.660 4.480 2.294 2.146 2.513 1.514 7 20 [****-*+*************] 1
916 1 59 TYR H 1 59 TYR QD 4.780 4.300 5.260 3.726 3.191 4.139 1.109 19 9 "[** *. ** 1 -** +2]" 1
917 1 59 TYR H 1 60 VAL H 5.390 4.850 5.930 4.769 4.685 4.830 0.165 5 0 "[ . 1 . 2]" 1
918 1 59 TYR H 1 65 ALA MB 4.810 4.330 5.290 4.724 4.453 5.477 0.187 6 0 "[ . 1 . 2]" 1
919 1 59 TYR HA 1 59 TYR QD 4.290 3.860 4.720 2.748 2.454 2.946 1.406 17 20 [************-***+***] 1
920 1 59 TYR HA 1 60 VAL H 3.480 3.130 3.830 2.644 2.439 2.734 0.691 19 6 "[* . * *- * +2]" 1
921 1 59 TYR HA 1 60 VAL QG 4.330 3.900 4.760 4.486 4.319 4.568 . 0 0 "[ . 1 . 2]" 1
922 1 59 TYR HA 1 61 GLU H 5.500 4.950 6.050 4.803 4.562 5.240 0.388 16 0 "[ . 1 . 2]" 1
923 1 59 TYR QB 1 60 VAL H 4.620 4.160 5.080 2.764 2.633 3.118 1.527 1 20 [+************-******] 1
924 1 59 TYR QB 1 61 GLU H 4.510 4.280 4.960 2.785 2.340 3.312 1.940 3 20 [**+**-**************] 1
925 1 59 TYR QB 1 64 ASP H 5.500 4.950 6.050 6.495 5.927 6.917 0.867 13 10 "[ * .*-**1**+ .* * 2]" 1
926 1 59 TYR QB 1 65 ALA H 4.530 4.080 4.980 4.141 3.885 4.479 0.195 17 0 "[ . 1 . 2]" 1
927 1 59 TYR QB 1 65 ALA MB 4.820 4.340 5.240 2.857 2.524 3.573 1.816 11 20 [**********+**-******] 1
928 1 59 TYR QB 1 66 LYS H 5.500 4.950 6.050 6.028 5.661 6.756 0.706 6 2 "[ - .+ 1 . 2]" 1
929 1 59 TYR QD 1 60 VAL H 5.500 4.950 6.050 3.261 2.813 3.807 2.137 20 20 [******************-+] 1
930 1 59 TYR QD 1 61 GLU H 5.010 4.510 5.510 2.663 2.181 3.106 2.329 12 20 [***********+****-***] 1
931 1 59 TYR QD 1 64 ASP QB 5.130 4.620 5.640 3.181 2.466 3.519 2.154 19 20 [**********-*******+*] 1
932 1 59 TYR QD 1 65 ALA HA 4.250 3.820 4.680 3.665 3.529 3.806 0.291 11 0 "[ . 1 . 2]" 1
933 1 59 TYR QD 1 65 ALA MB 4.000 3.600 4.400 3.525 3.246 4.129 0.354 20 0 "[ . 1 . 2]" 1
934 1 59 TYR QD 1 68 ALA MB 4.500 4.050 4.950 4.618 4.463 4.925 . 0 0 "[ . 1 . 2]" 1
935 1 59 TYR QE 1 65 ALA HA 4.290 3.860 4.720 3.828 3.718 4.292 0.142 2 0 "[ . 1 . 2]" 1
936 1 59 TYR QE 1 65 ALA MB 5.270 4.740 5.800 4.525 4.309 5.117 0.431 5 0 "[ . 1 . 2]" 1
937 1 59 TYR QE 1 68 ALA MB 4.000 3.600 4.400 3.390 3.256 3.570 0.344 3 0 "[ . 1 . 2]" 1
938 1 60 VAL H 1 60 VAL HB 3.670 3.300 4.040 2.480 2.362 2.532 0.938 19 20 [*-****************+*] 1
939 1 60 VAL H 1 60 VAL QG . 3.870 3.960 3.014 2.950 3.078 0.920 15 20 [**************+****-] 1
940 1 60 VAL H 1 61 GLU H 4.080 3.670 4.490 2.845 2.592 3.258 1.078 13 16 "[*********-**+ .* * *]" 1
941 1 60 VAL HA 1 60 VAL QG 3.410 3.070 3.720 2.207 2.152 2.250 0.918 5 20 [****+******-********] 1
942 1 60 VAL HB 1 61 GLU H 3.900 3.510 4.290 3.508 3.339 3.809 0.171 10 0 "[ . 1 . 2]" 1
943 1 60 VAL QG 1 61 GLU H 4.620 4.160 4.930 3.250 2.899 3.581 1.261 19 20 [**-***************+*] 1
944 1 60 VAL QG 1 61 GLU HA 4.760 4.280 5.240 3.300 3.119 3.487 1.161 20 20 [*-*****************+] 1
945 1 60 VAL QG 1 61 GLU QB 4.980 4.480 5.480 3.133 2.580 3.536 1.900 4 20 [***+*****-**********] 1
946 1 61 GLU H 1 61 GLU QB 4.160 3.740 4.580 2.986 2.471 3.290 1.269 19 17 "[*- ************* +*]" 1
947 1 61 GLU H 1 61 GLU QG 4.210 3.940 4.630 2.790 2.199 3.438 1.741 9 20 [*****-**+***********] 1
948 1 61 GLU H 1 62 VAL H 5.030 4.530 5.530 4.530 4.442 4.648 0.088 3 0 "[ . 1 . 2]" 1
949 1 61 GLU H 1 64 ASP H 5.470 4.920 6.020 5.621 5.163 6.078 0.058 16 0 "[ . 1 . 2]" 1
950 1 61 GLU HA 1 61 GLU QG 4.040 3.670 4.440 3.401 3.101 3.656 0.569 14 7 "[* .* - +* * *2]" 1
951 1 61 GLU HA 1 62 VAL H 3.070 2.760 3.380 2.395 2.345 2.463 0.415 4 0 "[ . 1 . 2]" 1
952 1 61 GLU HA 1 62 VAL HA 4.940 4.450 5.430 4.292 4.214 4.365 0.236 10 0 "[ . 1 . 2]" 1
953 1 61 GLU HA 1 62 VAL HB 4.590 4.130 5.050 5.386 5.247 5.474 0.424 11 0 "[ . 1 . 2]" 1
954 1 61 GLU HA 1 62 VAL QG 4.640 4.180 5.100 3.488 3.246 3.666 0.934 10 20 [********-+**********] 1
955 1 61 GLU HA 1 63 ASP H 5.300 4.770 5.830 4.715 4.516 5.108 0.254 3 0 "[ . 1 . 2]" 1
956 1 61 GLU HA 1 64 ASP H 5.500 4.950 6.050 5.596 5.301 5.754 . 0 0 "[ . 1 . 2]" 1
957 1 61 GLU HA 1 64 ASP QB 4.900 4.410 5.390 5.247 5.084 5.429 0.039 5 0 "[ . 1 . 2]" 1
958 1 61 GLU QB 1 62 VAL H . 4.370 4.390 3.053 2.449 3.347 1.921 15 20 [**************+-****] 1
959 1 61 GLU QB 1 63 ASP H 4.550 4.090 4.600 3.505 3.202 3.591 0.888 14 19 "[************-+*** **]" 1
960 1 61 GLU QB 1 64 ASP H 4.330 3.910 4.760 3.390 3.207 3.597 0.703 6 10 "[** .+- ** ** * *2]" 1
961 1 61 GLU QG 1 62 VAL H 4.950 4.630 5.440 4.573 4.196 4.882 0.434 15 0 "[ . 1 . 2]" 1
962 1 61 GLU QG 1 63 ASP H 4.920 4.430 5.410 4.967 4.455 5.301 . 0 0 "[ . 1 . 2]" 1
963 1 61 GLU QG 1 64 ASP H 5.180 4.660 5.690 4.090 2.946 4.962 1.714 3 13 "[ *+** **-1*** .* * *]" 1
964 1 62 VAL H 1 62 VAL HB 3.270 2.940 3.600 3.497 3.403 3.600 . 0 0 "[ . 1 . 2]" 1
965 1 62 VAL H 1 62 VAL QG . 3.580 3.690 2.047 1.959 2.144 1.621 4 20 [***+*-**************] 1
966 1 62 VAL H 1 63 ASP H 3.600 3.240 3.960 2.957 2.859 3.021 0.381 1 0 "[ . 1 . 2]" 1
967 1 62 VAL H 1 63 ASP QB 5.500 4.950 6.050 4.962 4.791 5.266 0.159 19 0 "[ . 1 . 2]" 1
968 1 62 VAL H 1 64 ASP H 4.840 4.360 5.320 4.948 4.541 5.203 . 0 0 "[ . 1 . 2]" 1
969 1 62 VAL H 1 65 ALA H 5.500 4.950 6.050 5.192 5.002 5.339 . 0 0 "[ . 1 . 2]" 1
970 1 62 VAL HA 1 64 ASP H 5.500 4.950 6.050 4.990 4.738 5.265 0.212 17 0 "[ . 1 . 2]" 1
971 1 62 VAL HA 1 65 ALA H 4.080 3.670 4.490 3.691 3.566 3.808 0.104 14 0 "[ . 1 . 2]" 1
972 1 62 VAL HA 1 65 ALA MB 3.640 3.280 4.000 2.812 2.414 3.092 0.866 13 8 "[ . **1**+ .* - *]" 1
973 1 62 VAL HA 1 66 LYS QD 4.990 4.490 5.490 4.896 4.497 5.631 0.141 11 0 "[ . 1 . 2]" 1
974 1 62 VAL HB 1 63 ASP H 3.610 3.250 3.970 4.517 4.307 4.652 0.682 13 16 "[***-* ***1**+*.* ***]" 1
975 1 62 VAL QG 1 63 ASP H 4.330 3.900 4.390 2.944 2.589 3.100 1.311 17 20 [************-***+***] 1
976 1 62 VAL QG 1 63 ASP HA . 4.910 4.930 3.566 3.523 3.668 1.387 2 20 [*+****************-*] 1
977 1 62 VAL QG 1 63 ASP QB 4.820 4.340 5.300 3.974 3.586 4.417 0.754 15 6 "[ . * 1** +* - 2]" 1
978 1 62 VAL QG 1 66 LYS QD 3.650 3.280 4.020 3.517 3.219 3.883 0.061 13 0 "[ . 1 . 2]" 1
979 1 62 VAL QG 1 66 LYS QE 4.590 4.130 5.050 3.853 2.842 4.777 1.288 13 7 "[* . * -1**+ . *]" 1
980 1 63 ASP H 1 63 ASP QB 3.300 2.970 3.540 2.485 2.373 2.732 0.597 3 15 "[**+ . ***1**-*** ***]" 1
981 1 63 ASP H 1 64 ASP H 3.530 3.180 3.880 2.986 2.894 3.078 0.286 2 0 "[ . 1 . 2]" 1
982 1 63 ASP H 1 65 ALA H 5.370 4.830 5.910 4.492 4.261 4.713 0.569 16 2 "[ . 1- .+ 2]" 1
983 1 63 ASP H 1 66 LYS H 5.250 4.720 5.780 5.507 5.138 5.849 0.069 6 0 "[ . 1 . 2]" 1
984 1 63 ASP HA 1 65 ALA H 5.500 4.950 6.050 4.730 4.610 4.883 0.340 14 0 "[ . 1 . 2]" 1
985 1 63 ASP HA 1 66 LYS H 4.080 3.670 4.490 4.010 3.666 4.320 0.004 15 0 "[ . 1 . 2]" 1
986 1 63 ASP HA 1 66 LYS QB 3.810 3.430 4.190 3.577 3.091 4.216 0.339 8 0 "[ . 1 . 2]" 1
987 1 63 ASP HA 1 66 LYS QD 3.450 3.110 3.790 3.389 2.890 3.827 0.220 17 0 "[ . 1 . 2]" 1
988 1 63 ASP QB 1 64 ASP H 4.280 3.850 4.690 2.343 2.236 2.485 1.614 13 20 [*****-******+*******] 1
989 1 63 ASP QB 1 65 ALA H 5.470 4.920 6.020 5.014 4.943 5.074 . 0 0 "[ . 1 . 2]" 1
990 1 64 ASP H 1 64 ASP QB 3.670 3.370 4.040 2.682 2.261 2.794 1.109 3 20 [**+***********-*****] 1
991 1 64 ASP H 1 65 ALA MB 5.500 4.950 6.050 4.727 4.608 4.811 0.342 20 0 "[ . 1 . 2]" 1
992 1 64 ASP H 1 66 LYS H 5.250 4.720 5.780 5.006 4.886 5.159 . 0 0 "[ . 1 . 2]" 1
993 1 64 ASP H 1 67 HIS H 5.500 4.950 6.050 5.252 4.950 5.563 . 0 0 "[ . 1 . 2]" 1
994 1 64 ASP HA 1 67 HIS H 4.150 3.730 4.570 3.613 3.545 3.789 0.185 20 0 "[ . 1 . 2]" 1
995 1 64 ASP HA 1 67 HIS QB 3.940 3.550 4.330 3.265 3.086 3.434 0.464 8 0 "[ . 1 . 2]" 1
996 1 64 ASP HA 1 68 ALA MB 5.120 4.610 5.630 4.914 4.602 5.326 0.008 11 0 "[ . 1 . 2]" 1
997 1 64 ASP QB 1 65 ALA H 5.500 4.950 6.050 2.722 2.481 2.973 2.469 13 20 [***-********+*******] 1
998 1 65 ALA H 1 65 ALA MB 3.500 3.150 3.850 2.286 2.216 2.347 0.934 11 20 [**********+*****-***] 1
999 1 65 ALA H 1 66 LYS H 3.700 3.330 4.070 3.272 3.177 3.396 0.153 5 0 "[ . 1 . 2]" 1
1000 1 65 ALA H 1 67 HIS H 4.690 4.220 5.160 4.802 4.589 5.034 . 0 0 "[ . 1 . 2]" 1
1001 1 65 ALA HA 1 67 HIS H 5.210 4.690 5.730 4.955 4.656 5.289 0.034 20 0 "[ . 1 . 2]" 1
1002 1 65 ALA HA 1 68 ALA H 4.300 3.870 4.730 3.976 3.753 4.279 0.117 18 0 "[ . 1 . 2]" 1
1003 1 65 ALA HA 1 68 ALA MB 3.630 3.270 3.990 3.332 3.145 3.741 0.125 13 0 "[ . 1 . 2]" 1
1004 1 65 ALA HA 1 69 LEU H 5.150 4.630 5.670 4.447 4.316 4.615 0.314 1 0 "[ . 1 . 2]" 1
1005 1 65 ALA MB 1 66 LYS H 3.800 3.420 4.180 2.065 1.952 2.275 1.468 5 20 [**-*+***************] 1
1006 1 65 ALA MB 1 66 LYS HA 5.320 4.790 5.850 3.777 3.671 3.870 1.119 14 20 [*************+***-**] 1
1007 1 65 ALA MB 1 67 HIS H 5.500 4.950 6.050 4.676 4.531 4.781 0.419 20 0 "[ . 1 . 2]" 1
1008 1 66 LYS H 1 66 LYS QB 3.560 3.200 3.920 2.515 2.098 3.055 1.102 5 16 "[****+-**** * *.* ***]" 1
1009 1 66 LYS H 1 66 LYS QD 4.020 3.620 4.420 2.870 2.056 4.004 1.564 14 12 "[* * .** ** * +.-***2]" 1
1010 1 66 LYS H 1 67 HIS H 3.680 3.310 4.050 3.235 3.125 3.335 0.185 3 0 "[ . 1 . 2]" 1
1011 1 66 LYS H 1 68 ALA H 4.750 4.280 5.220 4.629 4.510 4.770 . 0 0 "[ . 1 . 2]" 1
1012 1 66 LYS HA 1 66 LYS QD 3.630 3.270 3.990 3.390 2.891 4.221 0.379 16 0 "[ . 1 . 2]" 1
1013 1 66 LYS HA 1 66 LYS QE 4.960 4.460 5.460 4.482 4.260 4.823 0.200 19 0 "[ . 1 . 2]" 1
1014 1 66 LYS HA 1 66 LYS QG 4.200 3.780 4.620 2.390 2.107 3.158 1.673 5 20 [****+*********-*****] 1
1015 1 66 LYS HA 1 69 LEU H 4.790 4.310 5.270 4.111 4.003 4.196 0.307 6 0 "[ . 1 . 2]" 1
1016 1 66 LYS HA 1 69 LEU QB 5.000 4.500 5.500 4.201 4.057 4.294 0.443 15 0 "[ . 1 . 2]" 1
1017 1 66 LYS HA 1 69 LEU QD . 4.950 5.420 3.847 3.500 4.080 1.450 11 20 [*-********+*********] 1
1018 1 66 LYS QB 1 66 LYS QD 2.940 2.650 3.230 2.324 2.161 2.485 0.489 8 0 "[ . 1 . 2]" 1
1019 1 66 LYS QB 1 67 HIS H 4.050 3.640 4.460 2.679 2.468 3.353 1.172 10 18 [*********+****.*-**2] 1
1020 1 66 LYS QB 1 67 HIS HD2 5.500 4.950 6.050 5.005 3.722 5.757 1.228 18 3 "[* . -1 . + 2]" 1
1021 1 66 LYS QB 1 68 ALA H 5.440 4.900 5.980 4.947 4.812 5.397 0.088 10 0 "[ . 1 . 2]" 1
1022 1 66 LYS QD 1 67 HIS H 5.020 4.520 5.520 4.726 4.316 5.359 0.204 14 0 "[ . 1 . 2]" 1
1023 1 67 HIS H 1 67 HIS QB 3.550 3.200 3.810 2.388 2.176 2.721 1.024 12 18 "[******-****+ ******]" 1
1024 1 67 HIS H 1 67 HIS HD2 4.930 4.440 5.420 4.264 3.070 5.031 1.370 18 3 "[* . -1 . + 2]" 1
1025 1 67 HIS H 1 68 ALA H 3.550 3.200 3.900 2.955 2.803 3.030 0.397 15 0 "[ . 1 . 2]" 1
1026 1 67 HIS H 1 68 ALA MB 4.750 4.280 5.220 4.768 4.544 4.917 . 0 0 "[ . 1 . 2]" 1
1027 1 67 HIS H 1 69 LEU H 5.210 4.690 5.730 4.920 4.736 5.108 . 0 0 "[ . 1 . 2]" 1
1028 1 67 HIS HA 1 67 HIS HD2 3.740 3.370 4.110 4.025 3.255 4.449 0.339 17 0 "[ . 1 . 2]" 1
1029 1 67 HIS HA 1 68 ALA MB 4.980 4.480 5.480 5.162 5.137 5.193 . 0 0 "[ . 1 . 2]" 1
1030 1 67 HIS HA 1 70 TYR H 4.610 4.150 5.070 3.904 3.810 4.013 0.340 8 0 "[ . 1 . 2]" 1
1031 1 67 HIS HA 1 70 TYR QB 4.140 3.730 4.550 3.396 3.199 3.715 0.531 13 4 "[*- . *1 + . 2]" 1
1032 1 67 HIS QB 1 68 ALA H 3.910 3.520 4.250 3.092 3.038 3.191 0.482 2 0 "[ . 1 . 2]" 1
1033 1 67 HIS QB 1 68 ALA HA . 4.720 4.870 4.066 3.976 4.181 0.744 15 20 [*******-******+*****] 1
1034 1 67 HIS QB 1 68 ALA MB 5.430 4.890 5.960 4.309 4.239 4.386 0.651 18 20 [***********-*****+**] 1
1035 1 68 ALA H 1 68 ALA MB 3.320 2.990 3.650 2.368 2.308 2.469 0.682 20 20 [*****-*************+] 1
1036 1 68 ALA H 1 69 LEU H 3.810 3.430 4.190 3.119 3.054 3.167 0.376 6 0 "[ . 1 . 2]" 1
1037 1 68 ALA H 1 70 TYR H 5.400 4.860 5.940 4.765 4.653 4.889 0.207 1 0 "[ . 1 . 2]" 1
1038 1 68 ALA HA 1 71 ASN H 4.170 3.750 4.590 3.630 3.463 3.706 0.287 18 0 "[ . 1 . 2]" 1
1039 1 68 ALA HA 1 71 ASN QB 4.280 3.850 4.710 3.096 2.966 3.478 0.884 9 19 "[********+******** *-]" 1
1040 1 68 ALA HA 1 71 ASN HD21 5.500 4.950 6.050 4.959 4.806 5.244 0.144 6 0 "[ . 1 . 2]" 1
1041 1 68 ALA MB 1 69 LEU H 3.730 3.360 4.100 2.700 2.448 2.968 0.912 13 16 "[** *- ******+**** *]" 1
1042 1 68 ALA MB 1 69 LEU HA 4.060 3.650 4.470 3.855 3.786 3.971 . 0 0 "[ . 1 . 2]" 1
1043 1 68 ALA MB 1 69 LEU QB 4.630 4.170 4.640 4.032 3.861 4.241 0.309 13 0 "[ . 1 . 2]" 1
1044 1 68 ALA MB 1 69 LEU QD 5.390 4.850 5.930 5.033 4.867 5.215 . 0 0 "[ . 1 . 2]" 1
1045 1 68 ALA MB 1 70 TYR H 5.500 4.950 6.050 4.939 4.844 5.097 0.106 20 0 "[ . 1 . 2]" 1
1046 1 69 LEU H 1 69 LEU QB 3.890 3.500 4.230 2.298 2.241 2.339 1.259 8 20 [*****-*+************] 1
1047 1 69 LEU H 1 69 LEU QD 4.770 4.290 5.060 3.852 3.752 3.912 0.538 11 4 "[ . 1+ * .- *]" 1
1048 1 69 LEU H 1 69 LEU HG 4.840 4.360 5.320 3.984 3.908 4.108 0.452 13 0 "[ . 1 . 2]" 1
1049 1 69 LEU H 1 70 TYR H 3.720 3.350 4.090 3.144 3.046 3.232 0.304 18 0 "[ . 1 . 2]" 1
1050 1 69 LEU H 1 71 ASN H 4.880 4.390 5.370 4.526 4.257 4.704 0.133 3 0 "[ . 1 . 2]" 1
1051 1 69 LEU HA 1 84 VAL HB 4.880 4.390 5.370 4.593 4.291 4.875 0.099 12 0 "[ . 1 . 2]" 1
1052 1 69 LEU HA 1 84 VAL QG . 3.910 4.060 2.724 2.328 3.026 1.582 18 20 [*****-***********+**] 1
1053 1 69 LEU QB 1 70 TYR H 4.610 4.270 5.070 3.692 3.655 3.751 0.615 18 20 [**************-**+**] 1
1054 1 69 LEU QB 1 71 ASN H 5.500 4.950 6.050 5.404 5.025 5.643 . 0 0 "[ . 1 . 2]" 1
1055 1 69 LEU QD 1 70 TYR HA 4.140 3.730 4.550 3.484 3.375 3.697 0.355 15 0 "[ . 1 . 2]" 1
1056 1 69 LEU QD 1 70 TYR QD 4.710 4.240 5.180 4.378 4.076 4.653 0.164 20 0 "[ . 1 . 2]" 1
1057 1 69 LEU QD 1 70 TYR QE 5.500 4.950 6.050 5.359 3.910 5.910 1.040 6 3 "[ -*.+ 1 . 2]" 1
1058 1 69 LEU QD 1 84 VAL HB 4.710 4.240 5.180 3.074 2.463 3.473 1.777 6 20 [*****+******-*******] 1
1059 1 69 LEU QD 1 85 ASN H 5.500 4.950 6.050 3.736 3.371 3.974 1.579 13 20 [*-**********+*******] 1
1060 1 69 LEU QD 1 85 ASN QB . 4.950 5.100 4.045 3.810 4.276 1.140 16 20 [*-*************+****] 1
1061 1 69 LEU QD 1 85 ASN QD 5.500 4.950 6.050 4.466 3.163 5.033 1.787 4 7 "[** +* * 1 -. * 2]" 1
1062 1 69 LEU QD 1 86 TYR H 4.210 3.790 4.630 3.690 3.069 4.103 0.721 13 1 "[ . 1 + . 2]" 1
1063 1 69 LEU QD 1 86 TYR QD 4.960 4.460 5.460 4.165 2.518 4.692 1.942 13 3 "[ . 1- + . *]" 1
1064 1 69 LEU HG 1 70 TYR HA 4.520 4.070 4.970 4.096 3.892 4.271 0.178 12 0 "[ . 1 . 2]" 1
1065 1 70 TYR H 1 70 TYR QB 3.550 3.200 3.900 2.196 2.087 2.668 1.113 14 20 [**-**********+******] 1
1066 1 70 TYR H 1 70 TYR QD 4.340 3.910 4.770 3.681 2.253 4.110 1.657 3 3 "[ +-.* 1 . 2]" 1
1067 1 70 TYR H 1 71 ASN H 3.730 3.360 4.100 2.946 2.823 3.038 0.537 6 2 "[ -.+ 1 . 2]" 1
1068 1 70 TYR H 1 72 MET H 5.030 4.530 5.530 4.241 4.118 4.381 0.412 13 0 "[ . 1 . 2]" 1
1069 1 70 TYR HA 1 70 TYR QD 3.610 3.250 3.970 2.950 2.489 3.056 0.761 1 1 "[+ . 1 . 2]" 1
1070 1 70 TYR HA 1 70 TYR QE 4.860 4.370 5.350 4.507 4.358 4.683 0.012 20 0 "[ . 1 . 2]" 1
1071 1 70 TYR QB 1 71 ASN H 3.960 3.560 4.360 2.746 2.447 3.348 1.113 13 17 "[*- * ******+*******]" 1
1072 1 70 TYR QB 1 72 MET H 5.500 4.950 6.050 4.660 4.563 4.815 0.387 14 0 "[ . 1 . 2]" 1
1073 1 71 ASN H 1 71 ASN QB 3.720 3.350 3.990 2.381 2.227 2.572 1.123 20 20 [***-***************+] 1
1074 1 71 ASN H 1 72 MET H 3.600 3.240 3.960 2.939 2.401 3.065 0.839 4 1 "[ +. 1 . 2]" 1
1075 1 71 ASN H 1 72 MET QG 4.490 4.040 4.940 4.428 4.016 4.905 0.024 3 0 "[ . 1 . 2]" 1
1076 1 71 ASN QB 1 72 MET H 4.480 4.030 4.830 3.647 3.495 3.758 0.535 13 1 "[ . 1 + . 2]" 1
1077 1 71 ASN HD21 1 72 MET HA 4.030 3.630 4.430 3.798 3.692 4.277 . 0 0 "[ . 1 . 2]" 1
1078 1 71 ASN HD22 1 72 MET HA 4.460 4.010 4.910 4.911 3.995 5.096 0.186 19 0 "[ . 1 . 2]" 1
1079 1 72 MET H 1 72 MET QG 4.130 3.720 4.540 3.299 2.536 3.572 1.184 20 3 "[ . 1 - . * +]" 1
1080 1 72 MET H 1 73 ASN H 3.580 3.220 3.940 2.297 2.075 2.868 1.145 1 17 "[+***-******* **** *2]" 1
1081 1 72 MET H 1 84 VAL QG 5.310 4.780 5.840 3.960 3.628 4.240 1.152 13 20 [***********-+*******] 1
1082 1 72 MET HA 1 74 ASN H 5.050 4.540 5.560 4.368 4.202 4.517 0.338 20 0 "[ . 1 . 2]" 1
1083 1 72 MET HA 1 74 ASN HD22 5.500 4.950 6.050 5.467 4.976 6.094 0.044 18 0 "[ . 1 . 2]" 1
1084 1 72 MET QB 1 73 ASN H 4.730 4.260 5.200 3.463 3.299 3.726 0.961 15 20 [************-*+*****] 1
1085 1 72 MET QB 1 74 ASN H 4.840 4.360 5.320 5.390 5.303 5.510 0.190 13 0 "[ . 1 . 2]" 1
1086 1 72 MET QB 1 75 PHE H 4.320 3.890 4.750 4.809 4.645 4.913 0.163 6 0 "[ . 1 . 2]" 1
1087 1 72 MET QB 1 75 PHE QB 4.720 4.250 5.190 3.814 3.673 3.949 0.577 18 3 "[ -* 1 . + 2]" 1
1088 1 72 MET QG 1 84 VAL QG 4.130 3.720 4.540 3.186 2.947 3.472 0.773 2 12 "[*+* .* **1****. - *]" 1
1089 1 73 ASN H 1 73 ASN QB 3.450 3.110 3.790 2.693 2.222 2.927 0.888 15 5 "[ . * 1 -+ * *2]" 1
1090 1 73 ASN H 1 74 ASN H 4.680 4.210 5.150 2.753 2.526 3.005 1.684 13 20 [**********-*+*******] 1
1091 1 73 ASN H 1 74 ASN HD21 4.770 4.290 5.250 4.277 4.167 4.593 0.123 10 0 "[ . 1 . 2]" 1
1092 1 73 ASN H 1 74 ASN HD22 5.500 4.950 6.050 4.886 4.798 5.049 0.152 18 0 "[ . 1 . 2]" 1
1093 1 73 ASN H 1 84 VAL H 5.500 4.950 6.050 6.278 6.156 6.401 0.351 7 0 "[ . 1 . 2]" 1
1094 1 73 ASN H 1 84 VAL QG 4.740 4.270 5.210 3.973 3.680 4.321 0.590 19 2 "[ . 1 - +2]" 1
1095 1 73 ASN HA 1 83 HIS HA 4.060 3.650 4.470 4.811 4.487 5.013 0.543 11 1 "[ . 1+ . 2]" 1
1096 1 73 ASN HA 1 84 VAL H 4.820 4.340 5.300 4.144 3.709 4.340 0.631 10 2 "[ . + - . 2]" 1
1097 1 73 ASN HA 1 84 VAL QG 3.580 3.220 3.940 3.193 2.994 3.545 0.226 12 0 "[ . 1 . 2]" 1
1098 1 73 ASN QB 1 83 HIS HA 4.980 4.480 5.480 5.462 4.932 5.786 0.306 15 0 "[ . 1 . 2]" 1
1099 1 73 ASN QB 1 84 VAL H 5.500 4.950 6.050 4.602 4.025 4.878 0.925 16 4 "[ . - * .+ * 2]" 1
1100 1 73 ASN QB 1 84 VAL QG 4.980 4.480 5.480 4.076 3.772 4.373 0.708 16 7 "[ . * * - *+ **2]" 1
1101 1 73 ASN QD 1 74 ASN H 5.500 4.950 6.050 4.081 2.845 5.045 2.105 7 17 "[******+****** .* -**]" 1
1102 1 74 ASN H 1 75 PHE H 3.610 3.250 3.970 2.839 2.401 2.984 0.849 10 3 "[ . +- .* 2]" 1
1103 1 74 ASN H 1 84 VAL QG 5.500 4.950 6.050 5.471 5.263 5.750 . 0 0 "[ . 1 . 2]" 1
1104 1 75 PHE H 1 75 PHE QB 3.640 3.440 4.000 2.313 2.192 2.497 1.248 15 20 [*******-******+*****] 1
1105 1 75 PHE H 1 81 ARG QD 4.650 4.180 5.120 4.683 4.099 5.288 0.168 20 0 "[ . 1 . 2]" 1
1106 1 75 PHE H 1 82 ILE H 5.350 4.810 5.890 5.592 5.188 5.946 0.056 15 0 "[ . 1 . 2]" 1
1107 1 75 PHE H 1 82 ILE MD 5.500 4.950 6.050 4.597 3.784 4.851 1.166 4 4 "[ +* - 1 *. 2]" 1
1108 1 75 PHE H 1 82 ILE QG 5.210 4.690 5.730 4.707 4.332 5.807 0.358 18 0 "[ . 1 . 2]" 1
1109 1 75 PHE H 1 84 VAL QG 4.840 4.360 5.320 4.896 4.685 5.108 . 0 0 "[ . 1 . 2]" 1
1110 1 75 PHE HA 1 76 GLU H 2.920 2.630 3.210 2.322 2.253 2.475 0.377 8 0 "[ . 1 . 2]" 1
1111 1 75 PHE QB 1 76 GLU H . 4.950 5.090 3.845 3.566 4.038 1.384 4 20 [***+***************-] 1
1112 1 75 PHE QB 1 82 ILE MD . 4.090 4.410 3.597 3.392 3.777 0.698 4 8 "[ *+** **- *. 2]" 1
1113 1 75 PHE QB 1 84 VAL QG 5.010 4.510 5.510 4.529 4.355 4.807 0.155 8 0 "[ . 1 . 2]" 1
1114 1 75 PHE QE 1 76 GLU H 5.500 4.950 6.050 4.700 4.013 5.003 0.937 14 3 "[ *- 1 +. 2]" 1
1115 1 75 PHE QE 1 84 VAL QG 5.500 4.950 6.050 5.561 5.217 6.060 0.010 20 0 "[ . 1 . 2]" 1
1116 1 76 GLU H 1 76 GLU QB 3.560 3.200 3.920 2.610 1.927 2.783 1.273 8 12 "[* **.* +*1* *-.* * *]" 1
1117 1 76 GLU H 1 76 GLU QG 3.900 3.510 4.170 3.167 2.779 3.370 0.731 1 1 "[+ . 1 . 2]" 1
1118 1 76 GLU H 1 77 LEU H 4.810 4.330 5.290 4.547 4.346 4.695 . 0 0 "[ . 1 . 2]" 1
1119 1 76 GLU H 1 81 ARG QD 5.500 4.950 6.050 5.631 5.138 6.200 0.150 1 0 "[ . 1 . 2]" 1
1120 1 76 GLU H 1 82 ILE H 5.500 4.950 6.050 6.266 6.190 6.348 0.298 17 0 "[ . 1 . 2]" 1
1121 1 76 GLU HA 1 76 GLU QG 3.920 3.530 4.200 3.389 3.107 3.580 0.423 8 0 "[ . 1 . 2]" 1
1122 1 76 GLU HA 1 77 LEU H 2.990 2.690 3.290 2.368 2.271 2.472 0.419 19 0 "[ . 1 . 2]" 1
1123 1 76 GLU HA 1 77 LEU QB 4.830 4.350 5.310 4.178 4.024 4.332 0.326 2 0 "[ . 1 . 2]" 1
1124 1 76 GLU HA 1 80 LYS H 4.500 4.050 4.950 4.484 4.021 4.878 0.029 6 0 "[ . 1 . 2]" 1
1125 1 76 GLU HA 1 81 ARG HA 3.120 2.810 3.430 3.173 2.905 3.453 0.023 17 0 "[ . 1 . 2]" 1
1126 1 76 GLU HA 1 81 ARG QD 4.470 4.020 4.920 4.009 3.726 4.517 0.294 2 0 "[ . 1 . 2]" 1
1127 1 76 GLU HA 1 81 ARG QG 4.660 4.190 5.130 5.085 4.353 5.370 0.240 20 0 "[ . 1 . 2]" 1
1128 1 76 GLU HA 1 82 ILE H 4.390 3.950 4.830 3.805 3.643 3.962 0.307 15 0 "[ . 1 . 2]" 1
1129 1 76 GLU HA 1 82 ILE MD 5.500 4.950 6.050 4.546 3.043 5.000 1.907 5 4 "[ *+ * 1 -. 2]" 1
1130 1 76 GLU HA 1 82 ILE MG 5.180 4.660 5.700 4.995 3.976 5.469 0.684 4 1 "[ +. 1 . 2]" 1
1131 1 76 GLU QB 1 77 LEU H 4.640 4.360 5.100 3.186 2.714 3.794 1.646 2 20 [*+*****-************] 1
1132 1 76 GLU QB 1 78 ASN H 5.500 4.950 6.050 5.448 4.830 5.905 0.120 7 0 "[ . 1 . 2]" 1
1133 1 76 GLU QB 1 79 GLY H 4.970 4.950 5.470 4.445 4.167 4.788 0.783 11 10 "[** . * -*+* * * *]" 1
1134 1 76 GLU QB 1 81 ARG HA 3.740 3.370 4.110 3.468 3.057 3.976 0.313 19 0 "[ . 1 . 2]" 1
1135 1 76 GLU QG 1 77 LEU H 4.280 3.890 4.710 3.649 3.500 3.809 0.390 8 0 "[ . 1 . 2]" 1
1136 1 76 GLU QG 1 77 LEU HA 4.650 4.220 5.120 4.051 3.756 4.396 0.464 9 0 "[ . 1 . 2]" 1
1137 1 76 GLU QG 1 78 ASN H 5.500 4.950 6.050 4.052 3.600 4.346 1.350 8 20 [-******+************] 1
1138 1 76 GLU QG 1 79 GLY H 4.430 3.990 4.770 3.121 2.427 3.718 1.563 8 13 "[*-**** + 1 **.* ***]" 1
1139 1 76 GLU QG 1 79 GLY QA 4.600 4.140 5.060 3.136 2.202 4.309 1.938 1 13 "[+***** * 1 **.* **-]" 1
1140 1 76 GLU QG 1 80 LYS H 4.730 4.260 5.200 3.478 2.646 4.428 1.614 16 11 "[- **** * 1 **.+ **2]" 1
1141 1 77 LEU H 1 77 LEU QB 3.910 3.720 4.300 2.462 2.268 2.816 1.452 19 20 [********-*********+*] 1
1142 1 77 LEU H 1 77 LEU QD 5.310 4.780 5.840 3.851 3.366 4.089 1.414 8 20 [*******+-***********] 1
1143 1 77 LEU H 1 78 ASN H 4.780 4.300 5.260 4.289 4.049 4.433 0.251 7 0 "[ . 1 . 2]" 1
1144 1 77 LEU H 1 79 GLY H 4.100 3.690 4.510 4.689 4.542 4.846 0.336 4 0 "[ . 1 . 2]" 1
1145 1 77 LEU H 1 80 LYS H 3.830 3.450 4.210 3.119 2.970 3.223 0.480 2 0 "[ . 1 . 2]" 1
1146 1 77 LEU H 1 82 ILE MG 5.500 4.950 6.050 4.243 2.839 4.902 2.111 4 9 "[***+** * 1 *. -]" 1
1147 1 77 LEU HA 1 78 ASN H 3.160 2.840 3.480 2.384 2.225 2.480 0.615 18 3 "[ -* 1 . + 2]" 1
1148 1 77 LEU HA 1 78 ASN HB2 5.010 4.510 5.510 4.756 4.588 4.964 . 0 0 "[ . 1 . 2]" 1
1149 1 77 LEU QB 1 78 ASN H 5.080 4.570 5.500 3.896 3.535 4.046 1.035 18 20 [**-**************+**] 1
1150 1 77 LEU QB 1 80 LYS QG 4.650 4.210 5.120 4.422 4.018 4.675 0.192 6 0 "[ . 1 . 2]" 1
1151 1 77 LEU QB 1 82 ILE QG 3.520 3.170 3.870 3.632 3.103 4.047 0.177 17 0 "[ . 1 . 2]" 1
1152 1 77 LEU QD 1 78 ASN H 5.170 4.650 5.690 3.721 2.845 4.240 1.805 3 19 "[-*+**** ************]" 1
1153 1 77 LEU QD 1 78 ASN HB3 5.500 4.950 6.050 5.209 3.992 5.813 0.958 3 1 "[ + . 1 . 2]" 1
1154 1 77 LEU QD 1 78 ASN HD21 5.160 4.640 5.680 4.685 2.970 5.261 1.670 3 1 "[ + . 1 . 2]" 1
1155 1 77 LEU QD 1 78 ASN HD22 5.010 4.510 5.510 4.368 3.004 4.892 1.506 3 2 "[ + . - . 2]" 1
1156 1 78 ASN H 1 78 ASN HA 2.930 2.640 3.220 2.320 2.298 2.343 0.342 15 0 "[ . 1 . 2]" 1
1157 1 78 ASN H 1 78 ASN HB2 4.100 3.690 4.510 3.607 3.506 3.780 0.184 9 0 "[ . 1 . 2]" 1
1158 1 78 ASN H 1 78 ASN HB3 4.080 3.670 4.490 4.134 4.049 4.191 . 0 0 "[ . 1 . 2]" 1
1159 1 78 ASN H 1 78 ASN HD21 5.500 4.950 6.050 5.365 4.935 5.613 0.015 19 0 "[ . 1 . 2]" 1
1160 1 78 ASN H 1 78 ASN HD22 5.500 4.950 6.050 5.298 4.929 5.523 0.021 3 0 "[ . 1 . 2]" 1
1161 1 78 ASN H 1 79 GLY H 3.730 3.360 4.100 3.047 2.885 3.162 0.475 16 0 "[ . 1 . 2]" 1
1162 1 78 ASN H 1 80 LYS H 4.930 4.440 5.420 4.411 4.307 4.570 0.133 13 0 "[ . 1 . 2]" 1
1163 1 78 ASN HA 1 78 ASN HD22 5.330 4.800 5.860 4.773 4.675 4.929 0.125 9 0 "[ . 1 . 2]" 1
1164 1 78 ASN HA 1 79 GLY H 3.270 2.940 3.600 2.693 2.578 2.911 0.362 3 0 "[ . 1 . 2]" 1
1165 1 78 ASN HA 1 79 GLY QA 4.780 4.300 5.260 4.037 3.959 4.093 0.341 7 0 "[ . 1 . 2]" 1
1166 1 78 ASN HA 1 80 LYS H 4.800 4.320 5.280 4.706 4.528 4.971 . 0 0 "[ . 1 . 2]" 1
1167 1 78 ASN HB2 1 78 ASN HD22 3.770 3.390 4.150 3.674 3.492 3.843 . 0 0 "[ . 1 . 2]" 1
1168 1 78 ASN HB2 1 79 GLY H 5.190 4.670 5.710 4.520 4.403 4.605 0.267 17 0 "[ . 1 . 2]" 1
1169 1 78 ASN HB2 1 80 LYS H 5.390 4.850 5.930 4.595 4.126 4.793 0.724 1 2 "[+- . 1 . 2]" 1
1170 1 78 ASN HB3 1 79 GLY H 4.720 4.250 5.190 4.462 4.379 4.558 . 0 0 "[ . 1 . 2]" 1
1171 1 78 ASN HB3 1 80 LYS H 5.300 4.770 5.830 5.297 4.894 5.631 . 0 0 "[ . 1 . 2]" 1
1172 1 79 GLY H 1 80 LYS H 3.580 3.220 3.940 2.914 2.810 2.985 0.410 9 0 "[ . 1 . 2]" 1
1173 1 79 GLY H 1 80 LYS QB 5.180 4.660 5.700 4.796 4.517 5.019 0.143 17 0 "[ . 1 . 2]" 1
1174 1 80 LYS H 1 80 LYS QB 3.720 3.370 4.090 2.677 2.435 2.831 0.935 2 20 [*+******-***********] 1
1175 1 80 LYS H 1 80 LYS QE 5.180 4.660 5.700 5.188 4.445 5.879 0.215 9 0 "[ . 1 . 2]" 1
1176 1 80 LYS H 1 80 LYS QG 3.800 3.420 4.180 4.097 3.881 4.250 0.070 8 0 "[ . 1 . 2]" 1
1177 1 80 LYS H 1 81 ARG H 4.490 4.040 4.940 4.413 4.038 4.532 0.002 8 0 "[ . 1 . 2]" 1
1178 1 80 LYS HA 1 80 LYS QD 3.700 3.330 4.070 4.041 3.016 4.384 0.314 19 0 "[ . 1 . 2]" 1
1179 1 80 LYS HA 1 80 LYS QG 3.660 3.290 4.030 2.746 2.538 3.099 0.752 13 13 "[*-**. ** ***+** *]" 1
1180 1 80 LYS HA 1 81 ARG H 2.930 2.640 3.220 2.404 2.302 2.465 0.338 8 0 "[ . 1 . 2]" 1
1181 1 80 LYS QB 1 80 LYS QD 2.740 2.470 3.010 2.301 2.070 2.600 0.400 12 0 "[ . 1 . 2]" 1
1182 1 80 LYS QB 1 80 LYS QE 4.690 4.220 5.160 2.443 1.984 3.591 2.236 6 20 [*****+******-*******] 1
1183 1 80 LYS QB 1 81 ARG H 4.120 3.710 4.530 3.509 3.208 3.884 0.502 9 1 "[ . +1 . 2]" 1
1184 1 80 LYS QD 1 80 LYS QG 2.400 2.160 2.640 2.021 2.000 2.059 0.160 2 0 "[ . 1 . 2]" 1
1185 1 80 LYS QD 1 81 ARG H 4.620 4.160 5.080 4.068 2.526 4.487 1.634 19 1 "[ . 1 . +2]" 1
1186 1 80 LYS QE 1 80 LYS QG 3.320 2.990 3.650 2.534 2.168 2.932 0.822 1 9 "[+ *. -* 1* * * ** 2]" 1
1187 1 80 LYS QG 1 81 ARG H 4.640 4.180 5.100 2.350 1.743 4.278 2.437 13 18 "[******* ****+***-* *]" 1
1188 1 80 LYS QG 1 82 ILE MG 3.610 3.250 3.970 3.675 3.100 4.252 0.282 19 0 "[ . 1 . 2]" 1
1189 1 81 ARG H 1 81 ARG QB 3.490 3.270 3.840 2.427 2.076 2.544 1.194 8 20 [*******+*******-****] 1
1190 1 81 ARG H 1 81 ARG QD 5.140 4.630 5.650 4.633 4.371 4.836 0.259 8 0 "[ . 1 . 2]" 1
1191 1 81 ARG HA 1 81 ARG QG 3.850 3.470 4.230 2.866 2.644 3.167 0.826 1 15 "[+-****** ** *.****2]" 1
1192 1 81 ARG HA 1 82 ILE H 3.080 2.770 3.390 2.389 2.332 2.483 0.438 11 0 "[ . 1 . 2]" 1
1193 1 81 ARG HA 1 82 ILE HA 4.330 3.900 4.760 4.530 4.445 4.581 . 0 0 "[ . 1 . 2]" 1
1194 1 81 ARG HA 1 82 ILE MD 5.500 4.950 6.050 5.173 3.614 5.710 1.336 5 4 "[ -+ * 1 *. 2]" 1
1195 1 81 ARG HA 1 82 ILE MG 4.770 4.290 5.250 4.501 4.124 4.844 0.166 4 0 "[ . 1 . 2]" 1
1196 1 81 ARG QB 1 81 ARG QD 3.400 3.060 3.740 2.551 2.177 2.706 0.883 20 9 "[*** * * *- *. +]" 1
1197 1 81 ARG QB 1 81 ARG QG 2.400 2.160 2.640 1.985 1.920 2.022 0.240 15 0 "[ . 1 . 2]" 1
1198 1 81 ARG QB 1 82 ILE H 4.380 4.210 4.820 3.791 3.645 3.927 0.565 4 2 "[ - +. 1 . 2]" 1
1199 1 81 ARG QD 1 82 ILE H 5.500 4.950 6.050 2.917 2.342 3.671 2.608 1 20 [+******************-] 1
1200 1 82 ILE H 1 82 ILE HB 4.110 3.700 4.520 3.717 3.575 3.993 0.125 11 0 "[ . 1 . 2]" 1
1201 1 82 ILE H 1 82 ILE MD 4.260 3.830 4.690 3.497 2.067 3.995 1.763 5 4 "[ -+ * 1 *. 2]" 1
1202 1 82 ILE H 1 82 ILE QG 4.160 3.740 4.580 2.410 2.026 3.525 1.714 11 16 "[*-* .** **+** ******]" 1
1203 1 82 ILE H 1 82 ILE MG 3.800 3.420 4.180 3.226 2.944 3.371 0.476 8 0 "[ . 1 . 2]" 1
1204 1 82 ILE HA 1 82 ILE MD 4.410 3.970 4.850 4.135 3.767 4.273 0.203 5 0 "[ . 1 . 2]" 1
1205 1 82 ILE HA 1 82 ILE QG 3.550 3.200 3.900 3.425 3.318 3.697 . 0 0 "[ . 1 . 2]" 1
1206 1 82 ILE HA 1 82 ILE MG 3.470 3.120 3.820 2.378 2.201 2.729 0.919 9 17 "[*** -** +**** ******]" 1
1207 1 82 ILE HB 1 82 ILE MD 3.620 3.260 3.980 2.556 2.295 3.276 0.965 19 16 "[*** .** **-** ****+*]" 1
1208 1 82 ILE HB 1 83 HIS H 3.600 3.240 3.960 3.220 3.046 3.344 0.194 4 0 "[ . 1 . 2]" 1
1209 1 82 ILE MD 1 83 HIS H 4.420 3.980 4.860 5.010 4.595 5.176 0.316 18 0 "[ . 1 . 2]" 1
1210 1 82 ILE MD 1 83 HIS HA 4.960 4.460 5.460 5.417 4.480 5.649 0.189 19 0 "[ . 1 . 2]" 1
1211 1 82 ILE QG 1 83 HIS H 5.500 4.950 6.050 4.434 3.637 4.583 1.313 4 5 "[ +*- * 1 *. 2]" 1
1212 1 82 ILE MG 1 83 HIS H 3.890 3.500 4.280 3.711 3.366 4.290 0.134 9 0 "[ . 1 . 2]" 1
1213 1 83 HIS H 1 83 HIS QB 3.930 3.540 4.200 2.511 2.334 2.946 1.206 13 20 [**********-*+*******] 1
1214 1 83 HIS H 1 83 HIS HD2 4.520 4.070 4.970 4.543 4.002 5.155 0.185 3 0 "[ . 1 . 2]" 1
1215 1 83 HIS HA 1 84 VAL H 2.920 2.630 3.210 2.326 2.250 2.450 0.380 8 0 "[ . 1 . 2]" 1
1216 1 83 HIS HA 1 84 VAL HB 4.850 4.370 5.330 4.705 4.378 5.084 . 0 0 "[ . 1 . 2]" 1
1217 1 83 HIS QB 1 83 HIS HD2 3.930 3.540 4.320 3.025 2.611 3.327 0.929 15 9 "[ ** ** 1- * + **2]" 1
1218 1 83 HIS QB 1 84 VAL H 4.950 4.590 5.440 3.508 3.131 3.942 1.459 17 20 [******-*********+***] 1
1219 1 83 HIS HD2 1 84 VAL H 5.480 4.930 6.030 4.701 3.666 5.326 1.264 3 2 "[ + . 1 -. 2]" 1
1220 1 84 VAL H 1 84 VAL HB 3.840 3.460 4.220 2.698 2.395 3.004 1.065 10 17 "[*** *****+ ****-***]" 1
1221 1 84 VAL H 1 85 ASN H 5.220 4.700 5.740 4.468 4.343 4.606 0.357 16 0 "[ . 1 . 2]" 1
1222 1 84 VAL HA 1 85 ASN H 3.100 2.790 3.410 2.392 2.344 2.467 0.446 6 0 "[ . 1 . 2]" 1
1223 1 84 VAL HA 1 85 ASN HA 5.240 4.720 5.760 4.598 4.559 4.629 0.161 5 0 "[ . 1 . 2]" 1
1224 1 84 VAL HB 1 85 ASN H 4.870 4.380 5.360 4.480 4.292 4.626 0.088 4 0 "[ . 1 . 2]" 1
1225 1 84 VAL QG 1 85 ASN HA 4.300 3.870 4.730 3.832 3.675 4.021 0.195 15 0 "[ . 1 . 2]" 1
1226 1 85 ASN H 1 86 TYR H 5.140 4.630 5.650 4.509 4.442 4.575 0.188 16 0 "[ . 1 . 2]" 1
1227 1 85 ASN QB 1 86 TYR H 3.650 3.340 4.020 2.545 1.939 3.056 1.401 17 11 "[ * .* *1**-*.*+* *]" 1
1228 1 86 TYR H 1 86 TYR QB 4.070 3.660 4.270 2.321 2.097 2.462 1.563 13 20 [************+****-**] 1
1229 1 86 TYR H 1 86 TYR QD 4.200 3.780 4.620 3.999 2.686 4.288 1.094 20 2 "[ . 1 - . +]" 1
1230 1 86 TYR H 1 87 SER H 4.960 4.460 5.460 4.784 4.661 4.842 . 0 0 "[ . 1 . 2]" 1
1231 1 86 TYR HA 1 86 TYR QD 3.540 3.190 3.890 2.961 2.845 3.119 0.345 19 0 "[ . 1 . 2]" 1
1232 1 86 TYR HA 1 87 SER H 3.550 3.200 3.900 2.706 2.399 2.792 0.801 13 8 "[*-* . ** + .** 2]" 1
1233 1 86 TYR QB 1 87 SER H 4.530 4.320 4.980 3.420 2.548 3.648 1.772 20 20 [************-******+] 1
1234 1 86 TYR QD 1 87 SER H 5.110 4.600 5.620 2.859 2.476 4.185 2.124 8 19 "[*******+**** ******-]" 1
1235 1 87 SER H 1 87 SER QB 3.780 3.400 4.160 2.722 2.294 3.013 1.106 9 13 "[* *-***+1 ***** * 2]" 1
1236 1 87 SER H 1 88 LYS H 4.700 4.230 5.170 4.416 4.207 4.592 0.023 18 0 "[ . 1 . 2]" 1
1237 1 87 SER HA 1 88 LYS H 3.090 2.780 3.400 2.609 2.287 2.987 0.493 13 0 "[ . 1 . 2]" 1
1238 1 87 SER QB 1 88 LYS H 4.150 3.730 4.570 2.377 1.778 3.494 1.952 9 15 "[***** **+*- *.****2]" 1
1239 1 88 LYS H 1 88 LYS QB 3.890 3.500 4.170 2.609 2.102 3.064 1.398 13 17 "[***********-+ ** **]" 1
1240 1 88 LYS H 1 88 LYS QD 4.950 4.460 5.440 4.524 4.132 5.199 0.328 5 0 "[ . 1 . 2]" 1
1241 1 88 LYS H 1 88 LYS QG 4.300 3.870 4.730 3.498 2.232 4.362 1.638 18 7 "[ - *1** *. *+ 2]" 1
1242 1 88 LYS HA 1 88 LYS QD 4.520 4.070 4.970 3.683 2.269 4.302 1.801 1 5 "[+ * * *1- . 2]" 1
1243 1 88 LYS HA 1 88 LYS QG 3.880 3.490 4.270 2.703 2.211 3.388 1.279 19 15 "[****.*** ** * **- +*]" 1
1244 1 88 LYS HA 1 89 THR H 2.960 2.660 3.260 2.403 2.268 2.535 0.392 18 0 "[ . 1 . 2]" 1
1245 1 88 LYS QB 1 89 THR H 4.330 3.900 4.540 3.495 2.872 4.125 1.028 11 10 "[ * ** -1+* *. * **]" 1
1246 1 88 LYS QB 1 89 THR MG 5.160 4.640 5.680 4.884 4.520 5.177 0.120 9 0 "[ . 1 . 2]" 1
1247 1 88 LYS QD 1 89 THR H 5.110 4.600 5.620 4.675 2.737 5.434 1.863 1 1 "[+ . 1 . 2]" 1
1248 1 88 LYS QE 1 88 LYS QG 3.490 3.140 3.840 2.486 2.111 2.751 1.029 7 15 "[* * * + -****** ****]" 1
1249 1 88 LYS QG 1 89 THR H 4.740 4.270 5.210 3.817 2.395 4.965 1.875 1 7 "[+** .** 1 .- *2]" 1
1250 1 89 THR H 1 89 THR HB 3.850 3.470 4.230 3.689 3.456 3.817 0.014 16 0 "[ . 1 . 2]" 1
1251 1 89 THR H 1 89 THR MG 4.130 3.720 4.540 3.139 2.571 3.554 1.149 4 9 "[ +. * 1* * **-* *]" 1
1252 1 89 THR HA 1 89 THR HB 2.810 2.530 3.090 2.553 2.357 2.689 0.173 8 0 "[ . 1 . 2]" 1
1253 1 89 THR HA 1 89 THR MG 3.580 3.220 3.940 2.685 2.281 3.318 0.939 1 13 "[+* *** ** *-** **]" 1
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