NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
510831 |
2rrm   |
11424 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrm
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 1561
_Distance_constraint_stats_list.Viol_count 3620
_Distance_constraint_stats_list.Viol_total 43332.672
_Distance_constraint_stats_list.Viol_max 3.286
_Distance_constraint_stats_list.Viol_rms 0.2959
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0694
_Distance_constraint_stats_list.Viol_average_violations_only 0.5985
_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 7 HIS 4.847 0.516 15 1 "[ . 1 + 2]"
1 8 ILE 161.842 2.851 8 20 [*******+-***********]
1 9 TRP 61.426 2.290 10 20 [*********+******-***]
1 10 GLU 116.367 2.851 8 20 [*******+-***********]
1 11 GLN 13.915 1.559 14 7 "[ *** * 1 - +. *]"
1 12 HIS 4.021 1.742 14 2 "[ - 1 +. 2]"
1 13 THR 75.840 2.832 12 11 "[ * -*****1 + * * *]"
1 14 VAL 56.165 1.321 15 20 [**********-***+*****]
1 15 THR 114.929 2.734 15 15 "[****. -******+*** 2]"
1 16 LEU 28.133 1.224 1 15 "[+***. *-********* 2]"
1 17 HIS 9.557 1.649 3 6 "[ +*. *1 * - * 2]"
1 18 ARG 6.790 1.103 8 4 "[* . + 1* - . 2]"
1 19 ALA 4.279 1.523 14 2 "[ . 1 +- 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.526 0.127 5 0 "[ . 1 . 2]"
1 23 GLY 3.695 1.523 14 1 "[ . 1 +. 2]"
1 24 PHE 9.881 0.923 19 7 "[ *.*** 1 *- +2]"
1 25 GLY 6.230 0.758 6 4 "[ *+ 1 . - *2]"
1 26 ILE 18.378 1.816 5 6 "[ *+ 1 * -. * *]"
1 27 ALA 5.309 0.915 12 4 "[ * - 1 + . * 2]"
1 28 ILE 204.031 2.374 13 19 "[******-*****+** ****]"
1 29 SER 19.088 0.966 14 14 "[ * **** *- *+* ****]"
1 30 GLY 49.818 2.359 5 18 "[****+****1***** -***]"
1 31 GLY 11.924 2.513 7 8 "[ * ** + 1 * -* *]"
1 32 ARG 86.584 2.304 17 15 "[ *******1*-* * +***]"
1 33 ASP 6.362 1.422 7 4 "[ -. + 1 * . *]"
1 34 ASN 10.099 2.513 7 3 "[ - . + 1 . *]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.138 0.032 1 0 "[ . 1 . 2]"
1 41 GLU 8.119 1.049 13 7 "[- *. *1 +** *2]"
1 42 THR 102.149 3.161 11 18 "[*** *****1+***-*****]"
1 43 SER 19.268 1.736 4 11 "[-* +** *1 **** *2]"
1 44 ILE 219.569 2.890 12 19 "[******** **+**-*****]"
1 45 VAL 53.233 2.018 15 19 "[****-*********+** **]"
1 46 ILE 148.289 3.087 12 20 [-**********+********]
1 47 SER 40.798 2.045 12 17 "[********** +*-** **2]"
1 48 ASP 7.046 2.335 12 2 "[ - 1 + . 2]"
1 49 VAL 89.461 3.010 16 20 [************-**+****]
1 50 LEU 57.113 2.867 11 20 [**********+-********]
1 51 LYS 107.672 3.010 16 20 [***********-***+****]
1 52 GLY 9.957 0.965 7 10 "[ **-.*+* 1 ***. * 2]"
1 53 GLY 0.429 0.137 18 0 "[ . 1 . 2]"
1 54 PRO 4.692 0.695 11 3 "[ . 1+ - *2]"
1 55 ALA 19.315 1.651 14 10 "[ * *** 1* -+** * 2]"
1 56 GLU 46.826 1.749 13 20 [*********-**+*******]
1 57 GLY 15.314 0.843 12 9 "[- * ** *** + . * 2]"
1 58 GLN 23.438 1.749 13 9 "[ - *** *1 +*.* * 2]"
1 59 LEU 34.153 2.096 12 10 "[* * * *-*1*+ *.* 2]"
1 60 GLN 9.416 1.468 11 8 "[ * ** * 1+* *- 2]"
1 61 GLU 105.471 2.307 9 20 [-*******+***********]
1 62 ASN 23.633 0.876 9 15 "[****. **+* * *****-2]"
1 63 ASP 54.647 3.098 14 20 [***-*********+******]
1 64 ARG 66.650 3.098 14 18 "[***-*** *1***+******]"
1 65 VAL 27.441 2.960 5 15 "[*** +** ****-* ***]"
1 66 ALA 1.516 0.360 4 0 "[ . 1 . 2]"
1 67 MET 135.682 3.129 5 20 [-***+***************]
1 68 VAL 28.902 1.160 10 18 "[ ****-***+******** *]"
1 69 ASN 72.114 3.129 5 16 "[ *-*+****** ***** *]"
1 70 GLY 13.468 1.866 5 9 "[ * + -*1* *** * 2]"
1 71 VAL 14.778 1.263 5 11 "[ - *+ **** *** * 2]"
1 72 SER 0.004 0.004 18 0 "[ . 1 . 2]"
1 73 MET 16.962 2.033 4 9 "[ *-+** 1** *. * 2]"
1 74 ASP 15.040 2.521 6 7 "[ * **+ 1 * -. * 2]"
1 75 ASN 47.104 2.453 11 17 "[ ******* 1+***-*****]"
1 76 VAL 78.516 3.161 11 19 [*********1+****-****]
1 77 GLU 109.261 2.890 12 15 "[ **-**** 1*+* ** ***]"
1 78 HIS 28.702 2.397 2 11 "[ + -**** 1****. * 2]"
1 79 ALA 0.968 0.595 3 1 "[ + . 1 . 2]"
1 80 PHE 11.458 1.068 1 9 "[+ ** ***1 - * *]"
1 81 ALA 88.304 2.374 13 19 "[************+** ***-]"
1 82 VAL 29.532 1.974 12 16 "[ ***.**-***+* *** **]"
1 83 GLN 87.927 3.286 3 20 [**+*-***************]
1 84 GLN 125.286 2.937 1 20 [+*************-*****]
1 85 LEU 22.650 1.350 1 16 "[+***** *** * *****-]"
1 86 ARG 170.299 2.962 8 20 [*******+****-*******]
1 87 LYS 239.868 3.286 3 20 [**+***************-*]
1 88 SER 12.227 0.791 8 15 "[ * ** +***** ****-*]"
1 89 GLY 7.552 0.807 15 7 "[ * .* 1* * +- * 2]"
1 90 LYS 44.250 0.891 18 17 "[ * *-***********+**]"
1 91 ASN 62.460 2.734 15 14 "[****. -*1 ***+* ***]"
1 92 ALA 27.093 2.157 15 12 "[* **. **1 ***+*** 2]"
1 93 LYS 63.253 2.832 12 18 "[**-******* +****** *]"
1 94 ILE 113.839 2.351 15 19 "[*******-***** +*****]"
1 95 THR 50.188 2.136 5 18 "[-***+** ***********]"
1 96 ILE 41.503 3.087 12 10 "[ *-* ** 1*+ *** 2]"
1 97 ARG 25.164 2.136 5 11 "[****+ * * - *. * *]"
1 98 ARG 17.733 1.545 14 12 "[**-*.* * ** +* * *]"
1 99 LYS 33.662 2.290 10 15 "[*** * **-+** ** ***]"
1 100 LYS 0.394 0.124 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 67 MET H 1 95 THR HB 4.160 . 4.360 2.501 1.989 4.362 0.002 5 0 "[ . 1 . 2]" 1
2 1 32 ARG HA 1 42 THR HB 5.160 . 5.360 4.793 4.009 5.365 0.005 20 0 "[ . 1 . 2]" 1
3 1 67 MET QB 1 95 THR HB 3.840 . 4.040 2.409 1.907 3.549 . 0 0 "[ . 1 . 2]" 1
4 1 32 ARG QB 1 42 THR HB 5.070 . 5.270 4.348 2.949 4.974 . 0 0 "[ . 1 . 2]" 1
5 1 13 THR HB 1 93 LYS QG 4.850 . 5.050 4.590 3.785 4.923 . 0 0 "[ . 1 . 2]" 1
6 1 94 ILE MG 1 95 THR HB 5.010 . 5.210 4.445 4.139 5.252 0.042 5 0 "[ . 1 . 2]" 1
7 1 15 THR H 1 15 THR HB 3.650 . 3.850 3.033 2.570 3.770 . 0 0 "[ . 1 . 2]" 1
8 1 82 VAL HA 1 86 ARG H 4.580 . 4.780 3.984 3.818 4.233 . 0 0 "[ . 1 . 2]" 1
9 1 82 VAL HA 1 85 LEU H 4.320 . 4.520 3.566 3.449 3.710 . 0 0 "[ . 1 . 2]" 1
10 1 82 VAL HA 1 84 GLN HB2 5.240 . 5.440 5.101 4.841 5.442 0.002 8 0 "[ . 1 . 2]" 1
11 1 82 VAL HA 1 86 ARG QG 5.500 . 5.700 5.299 3.590 6.576 0.876 16 3 "[ . - *+ 2]" 1
12 1 81 ALA MB 1 82 VAL HA 4.560 . 4.760 3.774 3.632 3.854 . 0 0 "[ . 1 . 2]" 1
13 1 82 VAL HA 1 82 VAL MG1 3.300 . 3.500 2.783 2.207 3.209 . 0 0 "[ . 1 . 2]" 1
14 1 82 VAL HA 1 82 VAL MG2 3.300 . 3.500 2.387 2.238 2.471 . 0 0 "[ . 1 . 2]" 1
15 1 82 VAL HA 1 85 LEU QD 3.970 . 4.170 2.072 1.899 2.310 . 0 0 "[ . 1 . 2]" 1
16 1 28 ILE MD 1 82 VAL HA 3.840 . 4.040 3.132 1.950 4.255 0.215 5 0 "[ . 1 . 2]" 1
17 1 29 SER HB3 1 30 GLY H 5.500 . 5.700 3.636 3.394 3.803 . 0 0 "[ . 1 . 2]" 1
18 1 46 ILE MG 1 47 SER QB 5.320 . 5.520 4.285 3.861 5.961 0.441 5 0 "[ . 1 . 2]" 1
19 1 54 PRO HA 1 56 GLU H 4.810 . 5.010 3.920 3.821 4.087 . 0 0 "[ . 1 . 2]" 1
20 1 16 LEU QB 1 54 PRO HA 4.830 . 5.030 4.764 4.429 4.902 . 0 0 "[ . 1 . 2]" 1
21 1 16 LEU QD 1 54 PRO HA 4.820 . 5.020 4.177 3.391 4.641 . 0 0 "[ . 1 . 2]" 1
22 1 88 SER QB 1 92 ALA MB 4.260 . 4.460 2.220 1.987 2.675 . 0 0 "[ . 1 . 2]" 1
23 1 65 VAL HA 1 66 ALA MB 4.430 . 4.630 3.906 3.836 3.964 . 0 0 "[ . 1 . 2]" 1
24 1 65 VAL HA 1 95 THR MG 4.860 . 5.060 5.332 4.623 5.953 0.893 5 8 "[ * + * -*. ***]" 1
25 1 65 VAL HA 1 96 ILE MG 3.580 . 3.780 1.933 1.845 2.181 . 0 0 "[ . 1 . 2]" 1
26 1 42 THR HA 1 42 THR MG 3.290 . 3.490 2.357 2.037 3.219 . 0 0 "[ . 1 . 2]" 1
27 1 78 HIS HA 1 81 ALA MB 4.050 . 4.250 2.700 2.392 2.999 . 0 0 "[ . 1 . 2]" 1
28 1 76 VAL QG 1 78 HIS HA 4.970 . 5.170 4.490 4.347 4.788 . 0 0 "[ . 1 . 2]" 1
29 1 44 ILE MG 1 78 HIS HA 4.700 . 4.900 4.386 3.116 6.232 1.332 2 4 "[ + -* 1 * . 2]" 1
30 1 78 HIS HA 1 81 ALA H 4.620 . 4.820 3.511 3.363 3.659 . 0 0 "[ . 1 . 2]" 1
31 1 26 ILE HB 1 49 VAL HA 5.070 . 5.270 4.407 3.968 5.276 0.006 14 0 "[ . 1 . 2]" 1
32 1 49 VAL HA 1 50 LEU HB3 5.120 . 5.320 4.806 4.718 4.905 . 0 0 "[ . 1 . 2]" 1
33 1 49 VAL HA 1 55 ALA MB 4.900 . 5.100 5.385 4.852 5.802 0.702 15 2 "[ . 1 - + 2]" 1
34 1 26 ILE MG 1 49 VAL HA 4.220 . 4.420 3.464 2.969 3.864 . 0 0 "[ . 1 . 2]" 1
35 1 49 VAL HA 1 50 LEU MD2 4.450 . 4.650 3.475 3.264 3.773 . 0 0 "[ . 1 . 2]" 1
36 1 44 ILE MD 1 78 HIS HA 3.510 . 3.710 3.463 2.252 5.357 1.647 14 4 "[ . 1* *+. - 2]" 1
37 1 68 VAL HA 1 70 GLY H 5.030 . 5.230 3.708 3.617 3.733 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE HA 1 9 TRP H 3.040 . 3.240 2.150 2.137 2.178 . 0 0 "[ . 1 . 2]" 1
39 1 80 PHE HA 1 83 GLN H 4.290 . 4.490 3.790 3.641 3.914 . 0 0 "[ . 1 . 2]" 1
40 1 7 HIS QB 1 8 ILE HA 4.960 . 5.160 4.289 4.029 4.576 . 0 0 "[ . 1 . 2]" 1
41 1 80 PHE HA 1 83 GLN QB 3.950 . 4.150 3.780 3.644 3.910 . 0 0 "[ . 1 . 2]" 1
42 1 80 PHE HA 1 84 GLN QG 5.110 . 5.310 5.129 3.881 6.378 1.068 1 8 "[+ * ***1 - * *]" 1
43 1 8 ILE HA 1 8 ILE MD 3.610 . 3.810 3.119 1.970 4.175 0.365 11 0 "[ . 1 . 2]" 1
44 1 8 ILE HA 1 8 ILE MG 3.240 . 3.440 2.503 2.190 3.207 . 0 0 "[ . 1 . 2]" 1
45 1 68 VAL HA 1 94 ILE MD 5.380 . 5.580 4.618 2.537 5.342 . 0 0 "[ . 1 . 2]" 1
46 1 28 ILE HA 1 46 ILE HA 4.980 . 5.180 2.747 2.377 3.227 . 0 0 "[ . 1 . 2]" 1
47 1 86 ARG HA 1 86 ARG QD 4.400 . 4.600 3.509 2.395 4.258 . 0 0 "[ . 1 . 2]" 1
48 1 32 ARG QD 1 76 VAL HA 4.790 . 4.990 4.193 2.938 6.242 1.252 20 4 "[ .** 1 - . +]" 1
49 1 86 ARG HA 1 86 ARG QG 3.660 . 3.860 2.343 2.016 3.340 . 0 0 "[ . 1 . 2]" 1
50 1 46 ILE HA 1 46 ILE MG 2.980 . 3.180 2.276 2.178 2.412 . 0 0 "[ . 1 . 2]" 1
51 1 24 PHE HA 1 85 LEU QD 5.500 . 5.700 4.377 3.553 5.336 . 0 0 "[ . 1 . 2]" 1
52 1 86 ARG HA 1 92 ALA MB 5.030 . 5.230 4.667 3.940 5.124 . 0 0 "[ . 1 . 2]" 1
53 1 26 ILE MD 1 46 ILE HA 5.500 . 5.700 4.091 3.552 6.206 0.506 14 1 "[ . 1 +. 2]" 1
54 1 28 ILE MD 1 46 ILE HA 5.500 . 5.700 5.727 3.987 6.357 0.657 19 2 "[ - . 1 . +2]" 1
55 1 14 VAL HA 1 15 THR H 3.210 . 3.410 2.262 2.200 2.307 . 0 0 "[ . 1 . 2]" 1
56 1 76 VAL HA 1 77 GLU H 3.500 . 3.700 2.278 2.226 2.346 . 0 0 "[ . 1 . 2]" 1
57 1 55 ALA H 1 56 GLU HA 4.610 . 4.810 4.457 4.364 4.561 . 0 0 "[ . 1 . 2]" 1
58 1 39 SER HA 1 41 GLU H 4.070 . 4.270 3.402 3.182 3.506 . 0 0 "[ . 1 . 2]" 1
59 1 76 VAL HA 1 77 GLU QG 4.120 . 4.320 4.882 3.433 5.837 1.517 16 12 "[ * *-* 1*** *+ ***]" 1
60 1 67 MET QB 1 72 SER HA 5.070 . 5.270 3.197 2.774 3.658 . 0 0 "[ . 1 . 2]" 1
61 1 90 LYS HA 1 90 LYS QD 4.130 . 4.330 3.687 2.584 4.466 0.136 4 0 "[ . 1 . 2]" 1
62 1 90 LYS HA 1 90 LYS QG 3.630 . 3.830 2.362 2.028 3.346 . 0 0 "[ . 1 . 2]" 1
63 1 18 ARG HG2 1 24 PHE HA 3.800 . 4.000 3.221 2.401 4.000 0.000 12 0 "[ . 1 . 2]" 1
64 1 43 SER HA 1 44 ILE H 3.390 . 3.590 2.386 2.176 2.692 . 0 0 "[ . 1 . 2]" 1
65 1 61 GLU HA 1 63 ASP H 4.770 . 4.970 3.986 3.785 4.326 . 0 0 "[ . 1 . 2]" 1
66 1 43 SER HA 1 44 ILE HA 4.450 . 4.650 4.342 4.311 4.428 . 0 0 "[ . 1 . 2]" 1
67 1 32 ARG HA 1 33 ASP HA 4.940 . 5.140 4.621 4.513 4.856 . 0 0 "[ . 1 . 2]" 1
68 1 56 GLU HA 1 57 GLY HA3 4.570 . 4.770 5.077 5.003 5.118 0.348 7 0 "[ . 1 . 2]" 1
69 1 32 ARG HA 1 32 ARG QD 4.940 . 5.140 3.561 1.950 4.476 . 0 0 "[ . 1 . 2]" 1
70 1 83 GLN HA 1 83 GLN QG 3.790 . 3.990 3.350 3.334 3.427 . 0 0 "[ . 1 . 2]" 1
71 1 61 GLU HA 1 61 GLU QG 3.720 . 3.920 2.529 2.029 3.385 . 0 0 "[ . 1 . 2]" 1
72 1 32 ARG HA 1 42 THR MG 3.600 . 3.800 4.260 2.631 5.829 2.029 17 9 "[ * ** *1* * * +- 2]" 1
73 1 49 VAL QG 1 56 GLU HA . . 3.480 3.554 3.113 3.868 0.388 5 0 "[ . 1 . 2]" 1
74 1 46 ILE MD 1 61 GLU HA 4.570 . 4.770 3.972 3.042 5.578 0.808 15 3 "[ . - 1* + 2]" 1
75 1 51 LYS HA 1 52 GLY H 3.110 . 3.310 2.908 2.823 2.952 . 0 0 "[ . 1 . 2]" 1
76 1 83 GLN HA 1 84 GLN HA 5.110 . 5.310 4.759 4.744 4.815 . 0 0 "[ . 1 . 2]" 1
77 1 51 LYS HA 1 56 GLU QG 4.380 . 4.580 4.100 3.933 4.373 . 0 0 "[ . 1 . 2]" 1
78 1 51 LYS HA 1 56 GLU QB 4.290 . 4.490 2.132 1.929 2.410 . 0 0 "[ . 1 . 2]" 1
79 1 47 SER HA 1 61 GLU QB 4.790 . 4.990 5.532 4.076 6.913 1.923 12 12 "[*** * * ** + -.* **2]" 1
80 1 51 LYS HA 1 51 LYS QD 3.600 . 3.800 3.570 2.473 4.245 0.445 3 0 "[ . 1 . 2]" 1
81 1 84 GLN HB3 1 85 LEU HA 4.290 . 4.490 3.935 3.851 4.131 . 0 0 "[ . 1 . 2]" 1
82 1 84 GLN HA 1 87 LYS QD 4.260 . 4.460 4.286 2.896 5.404 0.944 5 3 "[* + 1 - . 2]" 1
83 1 27 ALA MB 1 47 SER HA 5.110 . 5.310 4.807 4.383 5.238 . 0 0 "[ . 1 . 2]" 1
84 1 85 LEU HA 1 85 LEU QD 3.960 . 4.160 3.379 3.145 3.461 . 0 0 "[ . 1 . 2]" 1
85 1 46 ILE MG 1 47 SER HA 4.730 . 4.930 4.400 4.103 5.676 0.746 5 2 "[ + 1 - . 2]" 1
86 1 32 ARG H 1 77 GLU HA 4.600 . 4.800 2.364 2.057 2.767 . 0 0 "[ . 1 . 2]" 1
87 1 18 ARG HA 1 19 ALA H 3.070 . 3.270 2.169 2.137 2.257 . 0 0 "[ . 1 . 2]" 1
88 1 99 LYS HA 1 100 LYS H 3.500 . 3.700 3.547 3.523 3.570 . 0 0 "[ . 1 . 2]" 1
89 1 87 LYS HA 1 87 LYS QD 3.400 . 3.600 3.337 2.032 4.052 0.452 8 0 "[ . 1 . 2]" 1
90 1 18 ARG HA 1 19 ALA MB 4.260 . 4.460 3.916 3.831 3.981 . 0 0 "[ . 1 . 2]" 1
91 1 32 ARG QG 1 77 GLU HA 4.750 . 4.950 3.984 2.788 5.902 0.952 4 5 "[ +. ** 1 * . -]" 1
92 1 99 LYS HA 1 99 LYS HG3 4.030 . 4.230 3.633 3.532 3.894 . 0 0 "[ . 1 . 2]" 1
93 1 18 ARG HA 1 18 ARG HG2 3.870 . 4.070 2.383 2.120 2.685 . 0 0 "[ . 1 . 2]" 1
94 1 7 HIS HA 1 8 ILE H 3.380 . 3.580 2.892 2.342 3.450 . 0 0 "[ . 1 . 2]" 1
95 1 61 GLU HA 1 62 ASN HA 4.940 . 5.140 4.803 4.763 4.847 . 0 0 "[ . 1 . 2]" 1
96 1 61 GLU QG 1 62 ASN HA 4.880 . 5.080 4.817 3.500 5.847 0.767 2 8 "[*+* . * *- **2]" 1
97 1 50 LEU HA 1 50 LEU MD2 3.560 . 3.760 3.661 3.536 3.715 . 0 0 "[ . 1 . 2]" 1
98 1 74 ASP HA 1 75 ASN H 3.160 . 3.360 3.076 2.956 3.381 0.021 9 0 "[ . 1 . 2]" 1
99 1 81 ALA HA 1 84 GLN H 4.330 . 4.530 3.618 3.412 3.777 . 0 0 "[ . 1 . 2]" 1
100 1 81 ALA HA 1 85 LEU H 4.770 . 4.970 4.459 4.204 4.746 . 0 0 "[ . 1 . 2]" 1
101 1 81 ALA HA 1 84 GLN QG 3.640 . 3.840 3.914 3.167 4.620 0.780 1 5 "[+ .** 1 . * -]" 1
102 1 44 ILE QG 1 81 ALA HA 4.930 . 5.130 5.716 4.506 6.781 1.651 19 11 "[****-** 1 * * * +2]" 1
103 1 76 VAL QG 1 81 ALA HA 4.630 . 4.830 3.378 3.125 3.776 . 0 0 "[ . 1 . 2]" 1
104 1 7 HIS HA 1 99 LYS HG3 4.920 . 5.120 5.093 4.684 5.141 0.021 18 0 "[ . 1 . 2]" 1
105 1 28 ILE MD 1 81 ALA HA 4.730 . 4.930 5.140 3.887 6.521 1.591 13 9 "[* * .* * * +** - 2]" 1
106 1 10 GLU HA 1 11 GLN H 2.910 . 3.110 2.285 2.185 2.335 . 0 0 "[ . 1 . 2]" 1
107 1 74 ASP HA 1 76 VAL H 4.930 . 5.130 4.533 4.324 5.098 . 0 0 "[ . 1 . 2]" 1
108 1 79 ALA HA 1 82 VAL H 3.920 . 4.120 3.542 3.361 3.707 . 0 0 "[ . 1 . 2]" 1
109 1 79 ALA HA 1 81 ALA MB 5.170 . 5.370 5.035 4.862 5.258 . 0 0 "[ . 1 . 2]" 1
110 1 74 ASP HA 1 76 VAL QG 5.080 . 5.280 4.447 4.280 4.956 . 0 0 "[ . 1 . 2]" 1
111 1 79 ALA HA 1 82 VAL MG1 4.790 . 4.990 2.952 1.838 4.477 . 0 0 "[ . 1 . 2]" 1
112 1 79 ALA HA 1 82 VAL MG2 4.790 . 4.990 3.578 2.381 4.525 . 0 0 "[ . 1 . 2]" 1
113 1 67 MET ME 1 69 ASN HA 4.680 . 4.880 6.301 4.308 8.008 3.128 5 14 "[ ***+-***1* ***** 2]" 1
114 1 69 ASN HA 1 93 LYS QB 4.980 . 5.180 4.187 4.015 4.520 . 0 0 "[ . 1 . 2]" 1
115 1 75 ASN HA 1 76 VAL H 3.500 . 3.700 2.735 2.450 2.851 . 0 0 "[ . 1 . 2]" 1
116 1 74 ASP HA 1 75 ASN HA 5.050 . 5.250 4.420 4.380 4.504 . 0 0 "[ . 1 . 2]" 1
117 1 32 ARG QB 1 75 ASN HA 5.020 . 5.220 2.225 1.939 2.651 . 0 0 "[ . 1 . 2]" 1
118 1 42 THR MG 1 75 ASN HA 4.400 . 4.600 4.702 3.085 6.452 1.852 11 7 "[ * * 1+ * - ** 2]" 1
119 1 75 ASN HA 1 76 VAL QG 5.040 . 5.240 3.914 3.760 4.083 . 0 0 "[ . 1 . 2]" 1
120 1 65 VAL QG 1 66 ALA HA 5.150 . 5.350 3.759 3.272 4.026 . 0 0 "[ . 1 . 2]" 1
121 1 59 LEU HA 1 63 ASP QB 5.100 . 5.300 2.996 2.626 3.672 . 0 0 "[ . 1 . 2]" 1
122 1 58 GLN HB3 1 59 LEU HA 5.290 . 5.490 4.444 4.242 4.782 . 0 0 "[ . 1 . 2]" 1
123 1 59 LEU HA 1 60 GLN HG2 5.500 . 5.700 4.223 4.061 4.422 . 0 0 "[ . 1 . 2]" 1
124 1 59 LEU HA 1 59 LEU HG 3.790 . 3.990 2.889 2.275 3.416 . 0 0 "[ . 1 . 2]" 1
125 1 32 ARG QG 1 33 ASP HA 5.100 . 5.300 3.951 3.570 4.847 . 0 0 "[ . 1 . 2]" 1
126 1 59 LEU HA 1 96 ILE HG12 4.610 . 4.810 3.627 3.157 4.777 . 0 0 "[ . 1 . 2]" 1
127 1 59 LEU HA 1 59 LEU MD2 4.440 . 4.640 2.524 1.961 3.588 . 0 0 "[ . 1 . 2]" 1
128 1 59 LEU HA 1 59 LEU MD1 4.440 . 4.640 3.812 3.238 4.007 . 0 0 "[ . 1 . 2]" 1
129 1 59 LEU HA 1 96 ILE MG 4.980 . 5.180 3.626 3.080 4.137 . 0 0 "[ . 1 . 2]" 1
130 1 59 LEU HA 1 96 ILE MD 4.960 . 5.160 4.236 2.930 5.094 . 0 0 "[ . 1 . 2]" 1
131 1 46 ILE MD 1 59 LEU HA 4.740 . 4.940 3.802 2.916 5.977 1.037 12 2 "[ - 1 + . 2]" 1
132 1 55 ALA HA 1 59 LEU H 4.860 . 5.060 3.680 3.298 4.007 . 0 0 "[ . 1 . 2]" 1
133 1 55 ALA HA 1 58 GLN HB2 4.380 . 4.580 2.224 2.041 2.599 . 0 0 "[ . 1 . 2]" 1
134 1 55 ALA HA 1 58 GLN HB3 4.220 . 4.420 3.629 2.557 4.244 . 0 0 "[ . 1 . 2]" 1
135 1 26 ILE HG12 1 55 ALA HA 5.030 . 5.230 5.160 4.708 5.238 0.008 15 0 "[ . 1 . 2]" 1
136 1 26 ILE MG 1 55 ALA HA 4.020 . 4.220 3.862 3.554 5.871 1.651 14 1 "[ . 1 +. 2]" 1
137 1 16 LEU QD 1 55 ALA HA 3.200 . 3.400 2.621 2.276 2.910 . 0 0 "[ . 1 . 2]" 1
138 1 92 ALA HA 1 93 LYS H 3.310 . 3.510 2.162 2.151 2.188 . 0 0 "[ . 1 . 2]" 1
139 1 88 SER H 1 92 ALA HA 4.820 . 5.020 4.974 4.792 5.033 0.013 12 0 "[ . 1 . 2]" 1
140 1 92 ALA HA 1 93 LYS QB 4.470 . 4.670 4.286 4.163 4.353 . 0 0 "[ . 1 . 2]" 1
141 1 19 ALA MB 1 54 PRO HD3 4.500 . 4.700 2.547 1.944 3.188 . 0 0 "[ . 1 . 2]" 1
142 1 25 GLY HA3 1 55 ALA MB 4.930 . 5.130 2.479 2.015 3.157 . 0 0 "[ . 1 . 2]" 1
143 1 25 GLY HA3 1 50 LEU MD1 4.430 . 4.630 3.609 3.006 3.901 . 0 0 "[ . 1 . 2]" 1
144 1 25 GLY HA2 1 55 ALA MB 5.020 . 5.220 3.820 3.369 4.438 . 0 0 "[ . 1 . 2]" 1
145 1 25 GLY HA2 1 50 LEU MD1 4.540 . 4.740 2.510 1.989 2.932 . 0 0 "[ . 1 . 2]" 1
146 1 18 ARG HG2 1 23 GLY HA2 4.590 . 4.790 4.067 3.550 4.369 . 0 0 "[ . 1 . 2]" 1
147 1 18 ARG HG2 1 23 GLY HA3 4.590 . 4.790 4.396 3.062 4.796 0.006 5 0 "[ . 1 . 2]" 1
148 1 56 GLU QG 1 57 GLY HA3 4.870 . 5.070 3.495 3.074 3.999 . 0 0 "[ . 1 . 2]" 1
149 1 26 ILE MG 1 59 LEU QB 3.820 . 4.020 2.076 1.828 2.527 . 0 0 "[ . 1 . 2]" 1
150 1 26 ILE MD 1 59 LEU QB 4.750 . 4.950 2.695 1.937 3.362 . 0 0 "[ . 1 . 2]" 1
151 1 59 LEU QB 1 60 GLN H 4.790 . 4.990 3.316 3.056 3.586 . 0 0 "[ . 1 . 2]" 1
152 1 27 ALA H 1 48 ASP HB2 5.500 . 5.700 5.437 5.057 5.685 . 0 0 "[ . 1 . 2]" 1
153 1 31 GLY QA 1 44 ILE MD 4.020 . 4.220 3.413 2.159 4.299 0.079 7 0 "[ . 1 . 2]" 1
154 1 83 GLN HA 1 86 ARG QD 4.400 . 4.600 3.871 2.278 5.337 0.737 3 1 "[ + . 1 . 2]" 1
155 1 61 GLU HA 1 64 ARG QD 5.300 . 5.500 6.509 4.561 7.807 2.307 9 15 "[*-* .** +1** *******]" 1
156 1 84 GLN HA 1 86 ARG QD 5.500 . 5.700 7.260 6.241 7.810 2.110 14 20 [***********-*+******] 1
157 1 86 ARG QB 1 86 ARG QD 3.290 . 3.490 2.137 1.972 2.740 . 0 0 "[ . 1 . 2]" 1
158 1 64 ARG QB 1 64 ARG QD 3.160 . 3.360 2.143 1.937 2.445 . 0 0 "[ . 1 . 2]" 1
159 1 86 ARG QD 1 87 LYS QG 4.660 . 4.860 6.241 4.535 7.644 2.784 17 15 "[* * .****** **-*+ **]" 1
160 1 96 ILE HB 1 97 ARG H 4.060 . 4.260 2.384 2.247 2.662 . 0 0 "[ . 1 . 2]" 1
161 1 86 ARG QD 1 87 LYS HA 5.120 . 5.320 5.287 3.675 6.359 1.039 9 6 "[* . +1 * .** -]" 1
162 1 63 ASP QB 1 96 ILE HB 4.750 . 4.950 2.023 1.913 2.399 . 0 0 "[ . 1 . 2]" 1
163 1 66 ALA MB 1 97 ARG HD2 4.370 . 4.570 2.295 1.832 3.250 . 0 0 "[ . 1 . 2]" 1
164 1 46 ILE MD 1 96 ILE HB 4.920 . 5.120 5.208 3.924 8.207 3.087 12 6 "[ - * * 1*+ * 2]" 1
165 1 28 ILE HB 1 29 SER H 4.480 . 4.680 3.047 2.309 4.189 . 0 0 "[ . 1 . 2]" 1
166 1 84 GLN HA 1 87 LYS QE 4.800 . 5.000 5.377 3.122 6.540 1.540 1 10 "[+** .** *1 *-* *]" 1
167 1 83 GLN QB 1 87 LYS QE 4.740 . 4.940 5.521 3.065 7.358 2.418 16 12 "[*** -* **1 **+ * *]" 1
168 1 84 GLN QG 1 87 LYS QE 4.930 . 5.130 6.211 3.693 7.414 2.284 6 14 "[****.+* -* * **** *]" 1
169 1 87 LYS QB 1 87 LYS QE 4.090 . 4.290 3.288 1.987 3.766 . 0 0 "[ . 1 . 2]" 1
170 1 13 THR MG 1 93 LYS QE 3.490 . 3.690 3.841 2.021 6.522 2.832 12 5 "[ *. ** 1 + . -]" 1
171 1 15 THR MG 1 91 ASN QB . . 3.500 4.056 2.481 5.790 2.290 14 10 "[ **. *-1 **+** * 2]" 1
172 1 28 ILE HB 1 28 ILE MD 3.420 . 3.620 2.485 2.025 3.230 . 0 0 "[ . 1 . 2]" 1
173 1 50 LEU HB3 1 51 LYS H 4.550 . 4.750 4.229 4.157 4.361 . 0 0 "[ . 1 . 2]" 1
174 1 91 ASN QB 1 92 ALA H 4.670 . 4.870 3.951 3.873 4.038 . 0 0 "[ . 1 . 2]" 1
175 1 85 LEU QB 1 86 ARG H 4.400 . 4.600 3.488 3.276 3.530 . 0 0 "[ . 1 . 2]" 1
176 1 84 GLN H 1 85 LEU QB 5.400 . 5.600 5.015 4.942 5.295 . 0 0 "[ . 1 . 2]" 1
177 1 85 LEU QB 1 87 LYS H 5.500 . 5.700 4.882 4.797 4.946 . 0 0 "[ . 1 . 2]" 1
178 1 82 VAL HA 1 85 LEU QB 5.500 . 5.700 4.204 3.959 4.478 . 0 0 "[ . 1 . 2]" 1
179 1 83 GLN QG 1 87 LYS QE 4.630 . 4.660 6.288 4.128 7.946 3.286 3 16 "[**+******1 * ***-* *]" 1
180 1 74 ASP H 1 74 ASP HB3 3.750 . 3.950 3.293 2.699 3.797 . 0 0 "[ . 1 . 2]" 1
181 1 74 ASP H 1 74 ASP HB2 3.750 . 3.950 2.987 2.375 3.818 . 0 0 "[ . 1 . 2]" 1
182 1 63 ASP QB 1 96 ILE MG 4.140 . 4.340 2.805 2.513 3.215 . 0 0 "[ . 1 . 2]" 1
183 1 63 ASP QB 1 96 ILE MD 4.740 . 4.940 2.132 1.893 2.791 . 0 0 "[ . 1 . 2]" 1
184 1 46 ILE MD 1 63 ASP QB . . 4.160 3.909 2.706 6.023 1.863 12 7 "[ * ** - 1*+ * 2]" 1
185 1 77 GLU QG 1 80 PHE QB 4.640 . 4.840 3.402 1.818 4.584 . 0 0 "[ . 1 . 2]" 1
186 1 76 VAL HB 1 80 PHE QB 4.590 . 4.790 2.558 2.062 3.863 . 0 0 "[ . 1 . 2]" 1
187 1 79 ALA MB 1 80 PHE QB 5.070 . 5.270 3.934 3.639 4.202 . 0 0 "[ . 1 . 2]" 1
188 1 76 VAL QG 1 80 PHE QB 4.510 . 4.710 3.072 1.766 3.377 . 0 0 "[ . 1 . 2]" 1
189 1 8 ILE HB 1 9 TRP H 4.410 . 4.610 4.009 3.160 4.376 . 0 0 "[ . 1 . 2]" 1
190 1 8 ILE H 1 8 ILE HB 4.030 . 4.230 2.884 2.459 3.668 . 0 0 "[ . 1 . 2]" 1
191 1 24 PHE HB3 1 26 ILE MD 5.500 . 5.700 4.302 3.434 4.992 . 0 0 "[ . 1 . 2]" 1
192 1 24 PHE HB2 1 26 ILE MD 5.500 . 5.700 4.018 2.500 5.675 . 0 0 "[ . 1 . 2]" 1
193 1 67 MET QB 1 68 VAL H . . 4.050 3.422 3.319 3.515 . 0 0 "[ . 1 . 2]" 1
194 1 67 MET QB 1 73 MET HB2 5.140 . 5.340 4.710 4.360 4.965 . 0 0 "[ . 1 . 2]" 1
195 1 32 ARG QG 1 77 GLU QG 5.150 . 5.350 4.643 2.209 6.805 1.455 8 6 "[ *. *+ 1 -* . *]" 1
196 1 68 VAL QG 1 69 ASN HB2 . . 4.520 2.764 2.291 3.914 . 0 0 "[ . 1 . 2]" 1
197 1 45 VAL HB 1 46 ILE H 4.750 . 4.950 3.234 2.329 3.918 . 0 0 "[ . 1 . 2]" 1
198 1 56 GLU QG 1 57 GLY HA2 5.060 . 5.260 4.243 3.907 4.604 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL HB 1 15 THR H 4.260 . 4.460 3.713 2.662 3.990 . 0 0 "[ . 1 . 2]" 1
200 1 76 VAL HB 1 77 GLU H 3.730 . 3.930 2.755 2.520 3.554 . 0 0 "[ . 1 . 2]" 1
201 1 46 ILE HB 1 48 ASP H 5.490 . 5.690 5.137 3.973 5.591 . 0 0 "[ . 1 . 2]" 1
202 1 76 VAL HB 1 80 PHE H 5.500 . 5.700 4.866 4.457 5.710 0.010 16 0 "[ . 1 . 2]" 1
203 1 11 GLN QG 1 12 HIS HB2 5.400 . 5.600 4.996 4.691 5.227 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL HB 1 96 ILE HG13 5.500 . 5.700 5.299 4.697 5.721 0.021 14 0 "[ . 1 . 2]" 1
205 1 11 GLN QG 1 97 ARG QG 5.500 . 5.700 2.979 1.798 4.318 . 0 0 "[ . 1 . 2]" 1
206 1 44 ILE HB 1 81 ALA MB 5.450 . 5.650 4.173 3.523 4.705 . 0 0 "[ . 1 . 2]" 1
207 1 96 ILE MD 1 98 ARG HB2 4.970 . 5.170 4.888 4.385 6.029 0.859 14 1 "[ . 1 +. 2]" 1
208 1 81 ALA H 1 83 GLN QG 5.360 . 5.560 4.065 3.897 4.283 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU HG 1 58 GLN HB2 5.500 . 5.700 5.521 5.273 5.703 0.003 10 0 "[ . 1 . 2]" 1
210 1 79 ALA MB 1 83 GLN QG 4.960 . 5.160 4.059 3.624 4.298 . 0 0 "[ . 1 . 2]" 1
211 1 69 ASN H 1 93 LYS QB 5.140 . 5.340 4.345 4.118 4.603 . 0 0 "[ . 1 . 2]" 1
212 1 93 LYS QB 1 94 ILE H . . 3.820 3.050 2.994 3.169 . 0 0 "[ . 1 . 2]" 1
213 1 17 HIS H 1 54 PRO QB 4.830 . 5.030 3.352 2.604 3.770 . 0 0 "[ . 1 . 2]" 1
214 1 90 LYS QB 1 91 ASN H 4.660 . 4.860 3.835 3.767 4.030 . 0 0 "[ . 1 . 2]" 1
215 1 12 HIS HB2 1 96 ILE HG13 4.880 . 5.080 4.194 3.608 4.768 . 0 0 "[ . 1 . 2]" 1
216 1 81 ALA MB 1 84 GLN HB2 4.330 . 4.530 4.214 3.938 4.433 . 0 0 "[ . 1 . 2]" 1
217 1 71 VAL QG 1 84 GLN HB2 . . 4.470 3.484 2.869 3.923 . 0 0 "[ . 1 . 2]" 1
218 1 13 THR MG 1 93 LYS QB . . 4.000 4.035 2.876 5.359 1.359 8 10 "[ * -***+*1 * * *]" 1
219 1 15 THR MG 1 93 LYS QB . . 4.680 2.586 1.757 4.139 . 0 0 "[ . 1 . 2]" 1
220 1 12 HIS HB2 1 96 ILE MD 3.870 . 4.070 2.691 2.002 3.930 . 0 0 "[ . 1 . 2]" 1
221 1 12 HIS HB3 1 96 ILE MD 4.510 . 4.710 4.017 3.234 4.817 0.107 14 0 "[ . 1 . 2]" 1
222 1 70 GLY H 1 71 VAL HB 5.290 . 5.490 5.169 4.995 5.525 0.035 3 0 "[ . 1 . 2]" 1
223 1 86 ARG H 1 87 LYS QB 5.110 . 5.310 4.284 4.178 4.478 . 0 0 "[ . 1 . 2]" 1
224 1 71 VAL HB 1 84 GLN HB3 4.800 . 5.000 3.985 3.326 4.498 . 0 0 "[ . 1 . 2]" 1
225 1 71 VAL HB 1 84 GLN HB2 4.950 . 5.150 4.450 3.913 4.995 . 0 0 "[ . 1 . 2]" 1
226 1 87 LYS QB 1 87 LYS QD 2.910 . 3.110 2.116 1.951 2.329 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU QB 1 54 PRO QB 4.430 . 4.630 2.255 1.982 2.437 . 0 0 "[ . 1 . 2]" 1
228 1 81 ALA MB 1 84 GLN QG 4.750 . 4.950 5.037 4.422 5.586 0.636 6 3 "[* .+ 1 . -]" 1
229 1 87 LYS H 1 87 LYS QB 3.710 . 3.910 2.141 2.040 2.277 . 0 0 "[ . 1 . 2]" 1
230 1 67 MET HG2 1 70 GLY HA3 5.500 . 5.700 4.404 4.302 4.571 . 0 0 "[ . 1 . 2]" 1
231 1 67 MET HG2 1 95 THR HB 5.500 . 5.700 4.686 4.240 5.711 0.011 5 0 "[ . 1 . 2]" 1
232 1 11 GLN QB 1 97 ARG HD3 5.160 . 5.360 4.694 4.024 5.472 0.112 4 0 "[ . 1 . 2]" 1
233 1 67 MET HG2 1 95 THR MG 5.090 . 5.290 4.955 3.312 5.651 0.361 20 0 "[ . 1 . 2]" 1
234 1 66 ALA MB 1 67 MET HG3 5.500 . 5.700 5.253 5.011 5.631 . 0 0 "[ . 1 . 2]" 1
235 1 67 MET HG3 1 95 THR MG 5.500 . 5.700 5.545 4.460 6.083 0.383 20 0 "[ . 1 . 2]" 1
236 1 51 LYS H 1 51 LYS QB 3.490 . 3.690 3.076 2.888 3.417 . 0 0 "[ . 1 . 2]" 1
237 1 18 ARG QB 1 90 LYS QB 4.620 . 4.820 3.687 3.081 4.002 . 0 0 "[ . 1 . 2]" 1
238 1 11 GLN QB 1 95 THR MG 4.100 . 4.300 3.650 3.249 5.285 0.985 5 1 "[ + 1 . 2]" 1
239 1 18 ARG H 1 18 ARG QB 3.650 . 3.850 2.417 2.171 2.611 . 0 0 "[ . 1 . 2]" 1
240 1 18 ARG QB 1 90 LYS HA 4.760 . 4.960 2.003 1.925 2.116 . 0 0 "[ . 1 . 2]" 1
241 1 18 ARG QB 1 90 LYS QG 5.080 . 5.280 3.448 2.492 4.648 . 0 0 "[ . 1 . 2]" 1
242 1 86 ARG H 1 86 ARG QB 3.500 . 3.700 2.196 2.068 2.503 . 0 0 "[ . 1 . 2]" 1
243 1 86 ARG QB 1 87 LYS H 4.170 . 4.370 2.953 2.764 3.621 . 0 0 "[ . 1 . 2]" 1
244 1 83 GLN HA 1 86 ARG QB 4.390 . 4.590 2.509 2.064 3.839 . 0 0 "[ . 1 . 2]" 1
245 1 78 HIS QB 1 79 ALA MB 5.100 . 5.300 4.165 3.607 4.581 . 0 0 "[ . 1 . 2]" 1
246 1 7 HIS QB 1 8 ILE MD 5.500 . 5.700 4.939 3.170 6.216 0.516 15 1 "[ . 1 + 2]" 1
247 1 51 LYS QD 1 52 GLY H 4.900 . 5.100 5.566 4.922 6.065 0.965 7 10 "[ **-.*+* 1 ***. * 2]" 1
248 1 61 GLU H 1 61 GLU QB 3.590 . 3.790 2.297 2.044 2.627 . 0 0 "[ . 1 . 2]" 1
249 1 56 GLU H 1 56 GLU QB . . 3.130 2.579 2.491 2.687 . 0 0 "[ . 1 . 2]" 1
250 1 50 LEU HG 1 51 LYS HA 4.920 . 5.120 4.263 4.072 4.398 . 0 0 "[ . 1 . 2]" 1
251 1 56 GLU QB 1 57 GLY HA2 4.810 . 5.010 4.569 4.503 4.721 . 0 0 "[ . 1 . 2]" 1
252 1 86 ARG QD 1 87 LYS QD 5.030 . 5.230 6.919 4.757 8.192 2.962 8 18 "[***-** +********** *]" 1
253 1 83 GLN QG 1 87 LYS QD 5.250 . 5.450 5.746 4.417 7.215 1.765 1 8 "[+-* ** * 1 ** . 2]" 1
254 1 51 LYS QD 1 56 GLU QG 5.150 . 5.350 5.708 4.426 6.963 1.613 3 10 "[ *+*. * -****. * 2]" 1
255 1 51 LYS QD 1 56 GLU QB 4.970 . 5.170 4.223 2.686 5.118 . 0 0 "[ . 1 . 2]" 1
256 1 49 VAL HB 1 50 LEU HG 3.490 . 3.690 3.700 3.683 3.709 0.019 7 0 "[ . 1 . 2]" 1
257 1 46 ILE MG 1 61 GLU QB 5.500 . 5.700 5.058 4.373 5.709 0.009 1 0 "[ . 1 . 2]" 1
258 1 11 GLN QB 1 97 ARG QG 4.380 . 4.580 3.310 1.781 5.207 0.627 4 2 "[ -+. 1 . 2]" 1
259 1 18 ARG HG2 1 19 ALA H 4.730 . 4.930 4.310 3.841 4.783 . 0 0 "[ . 1 . 2]" 1
260 1 83 GLN H 1 83 GLN QB 3.540 . 3.740 2.465 2.415 2.555 . 0 0 "[ . 1 . 2]" 1
261 1 83 GLN QB 1 84 GLN H . . 4.200 3.571 3.448 3.634 . 0 0 "[ . 1 . 2]" 1
262 1 79 ALA MB 1 83 GLN QB 4.670 . 4.870 4.178 3.887 4.503 . 0 0 "[ . 1 . 2]" 1
263 1 17 HIS H 1 54 PRO HG2 5.350 . 5.550 4.755 3.902 5.555 0.005 14 0 "[ . 1 . 2]" 1
264 1 19 ALA H 1 54 PRO HG2 5.500 . 5.700 3.983 2.901 5.199 . 0 0 "[ . 1 . 2]" 1
265 1 8 ILE QG 1 9 TRP H 4.990 . 5.190 4.006 2.261 4.770 . 0 0 "[ . 1 . 2]" 1
266 1 85 LEU H 1 86 ARG QG 4.830 . 5.030 5.610 3.956 6.297 1.267 13 13 "[ -**** ** + ** ***]" 1
267 1 16 LEU QB 1 54 PRO HG2 3.830 . 4.030 3.314 2.541 3.901 . 0 0 "[ . 1 . 2]" 1
268 1 93 LYS QG 1 94 ILE QG 4.890 . 5.090 4.450 4.243 4.836 . 0 0 "[ . 1 . 2]" 1
269 1 85 LEU QD 1 86 ARG QG 5.240 . 5.440 3.209 1.916 4.824 . 0 0 "[ . 1 . 2]" 1
270 1 8 ILE H 1 8 ILE QG 4.370 . 4.570 2.719 1.889 4.076 . 0 0 "[ . 1 . 2]" 1
271 1 59 LEU H 1 59 LEU MD1 4.640 . 4.840 3.466 2.302 3.988 . 0 0 "[ . 1 . 2]" 1
272 1 58 GLN HB2 1 59 LEU HG 4.350 . 4.550 3.604 2.602 4.513 . 0 0 "[ . 1 . 2]" 1
273 1 58 GLN HB2 1 59 LEU MD1 4.620 . 4.820 3.829 1.975 5.095 0.275 13 0 "[ . 1 . 2]" 1
274 1 14 VAL HB 1 59 LEU MD1 5.500 . 5.700 4.867 3.157 5.986 0.286 9 0 "[ . 1 . 2]" 1
275 1 59 LEU MD1 1 96 ILE HB 5.500 . 5.700 6.005 5.575 6.410 0.710 3 6 "[ + * ** 1* .- 2]" 1
276 1 82 VAL HB 1 85 LEU HG 4.750 . 4.950 4.766 4.450 4.970 0.020 9 0 "[ . 1 . 2]" 1
277 1 8 ILE QG 1 10 GLU QB 4.970 . 5.170 6.154 4.021 8.021 2.851 8 13 "[-* *. *+** ** *** *]" 1
278 1 96 ILE H 1 96 ILE HG13 5.060 . 5.260 2.040 1.936 2.223 . 0 0 "[ . 1 . 2]" 1
279 1 96 ILE H 1 96 ILE HG12 4.700 . 4.900 3.632 2.831 3.812 . 0 0 "[ . 1 . 2]" 1
280 1 63 ASP QB 1 96 ILE HG12 5.160 . 5.360 2.823 2.256 4.137 . 0 0 "[ . 1 . 2]" 1
281 1 82 VAL H 1 85 LEU QD . . 4.350 3.894 3.473 4.175 . 0 0 "[ . 1 . 2]" 1
282 1 84 GLN H 1 85 LEU QD . . 4.720 4.158 3.511 4.335 . 0 0 "[ . 1 . 2]" 1
283 1 26 ILE H 1 50 LEU MD1 5.220 . 5.420 5.306 4.780 5.702 0.282 19 0 "[ . 1 . 2]" 1
284 1 88 SER QB 1 90 LYS QG 4.920 . 5.120 5.594 4.464 5.911 0.791 8 15 "[ * ** +***** ****-*]" 1
285 1 50 LEU MD1 1 54 PRO HD2 4.710 . 4.910 3.918 3.154 4.488 . 0 0 "[ . 1 . 2]" 1
286 1 50 LEU MD1 1 54 PRO HD3 5.000 . 5.200 4.579 4.218 4.875 . 0 0 "[ . 1 . 2]" 1
287 1 58 GLN HB2 1 59 LEU MD2 4.620 . 4.820 4.610 3.200 5.674 0.854 14 1 "[ . 1 +. 2]" 1
288 1 50 LEU MD1 1 54 PRO HG2 5.500 . 5.700 5.749 4.878 6.395 0.695 11 3 "[ . 1+ - *2]" 1
289 1 50 LEU MD1 1 56 GLU QG 5.500 . 5.700 5.187 4.715 5.535 . 0 0 "[ . 1 . 2]" 1
290 1 14 VAL HB 1 59 LEU MD2 5.500 . 5.700 4.495 3.604 6.627 0.927 1 1 "[+ . 1 . 2]" 1
291 1 59 LEU MD2 1 96 ILE HB 5.500 . 5.700 3.827 3.416 4.653 . 0 0 "[ . 1 . 2]" 1
292 1 82 VAL HB 1 85 LEU QD 4.580 . 4.780 3.854 3.354 4.417 . 0 0 "[ . 1 . 2]" 1
293 1 50 LEU HB2 1 50 LEU MD1 3.250 . 3.450 1.989 1.928 2.065 . 0 0 "[ . 1 . 2]" 1
294 1 26 ILE HG12 1 55 ALA MB 2.870 . 3.070 2.519 1.969 2.742 . 0 0 "[ . 1 . 2]" 1
295 1 13 THR MG 1 93 LYS QG 4.080 . 4.280 3.674 2.048 4.962 0.682 15 1 "[ . 1 + 2]" 1
296 1 22 PHE QR 1 50 LEU MD1 4.410 . 4.610 2.536 1.897 3.720 . 0 0 "[ . 1 . 2]" 1
297 1 50 LEU HA 1 50 LEU MD1 4.500 . 4.700 4.022 3.977 4.075 . 0 0 "[ . 1 . 2]" 1
298 1 50 LEU MD2 1 54 PRO HD2 5.330 . 5.530 4.716 4.064 5.405 . 0 0 "[ . 1 . 2]" 1
299 1 49 VAL HB 1 50 LEU MD2 4.710 . 4.910 4.249 3.895 4.520 . 0 0 "[ . 1 . 2]" 1
300 1 50 LEU MD2 1 55 ALA MB 4.250 . 4.450 4.490 4.159 5.092 0.642 15 2 "[ . 1- + 2]" 1
301 1 50 LEU MD2 1 51 LYS H 4.050 . 4.250 3.865 3.666 4.060 . 0 0 "[ . 1 . 2]" 1
302 1 42 THR H 1 42 THR MG 4.130 . 4.330 2.842 1.963 3.750 . 0 0 "[ . 1 . 2]" 1
303 1 82 VAL MG2 1 85 LEU H 5.500 . 5.700 4.989 4.543 5.414 . 0 0 "[ . 1 . 2]" 1
304 1 63 ASP HA 1 96 ILE MG 4.820 . 5.020 4.647 4.217 5.486 0.466 2 0 "[ . 1 . 2]" 1
305 1 27 ALA MB 1 47 SER QB 4.580 . 4.780 2.792 1.904 3.679 . 0 0 "[ . 1 . 2]" 1
306 1 32 ARG QD 1 42 THR MG 5.040 . 5.240 5.089 1.821 7.544 2.304 17 8 "[ * * 1* * * +*-2]" 1
307 1 32 ARG QB 1 42 THR MG 3.680 . 3.880 4.263 2.302 5.685 1.805 17 8 "[ * * 1*-* * +* 2]" 1
308 1 16 LEU QD 1 58 GLN QG 4.160 . 4.360 2.805 1.909 3.714 . 0 0 "[ . 1 . 2]" 1
309 1 96 ILE HG12 1 96 ILE MG 3.460 . 3.660 2.169 2.023 2.360 . 0 0 "[ . 1 . 2]" 1
310 1 27 ALA MB 1 48 ASP HB3 4.020 . 4.220 3.874 3.327 4.250 0.030 5 0 "[ . 1 . 2]" 1
311 1 65 VAL QG 1 73 MET QG 3.900 . 4.100 2.505 1.891 3.751 . 0 0 "[ . 1 . 2]" 1
312 1 27 ALA MB 1 48 ASP HB2 3.620 . 3.820 3.330 3.091 3.637 . 0 0 "[ . 1 . 2]" 1
313 1 26 ILE MD 1 27 ALA MB 5.500 . 5.700 4.626 4.101 5.836 0.136 14 0 "[ . 1 . 2]" 1
314 1 27 ALA MB 1 28 ILE MD 5.500 . 5.700 4.799 3.713 6.225 0.525 17 2 "[ . - 1 . + 2]" 1
315 1 12 HIS H 1 95 THR MG 4.600 . 4.800 3.349 2.760 5.500 0.700 5 1 "[ + 1 . 2]" 1
316 1 46 ILE H 1 65 VAL QG 5.500 . 5.700 3.430 2.907 4.028 . 0 0 "[ . 1 . 2]" 1
317 1 65 VAL QG 1 95 THR H . . 4.170 3.394 2.839 4.329 0.159 7 0 "[ . 1 . 2]" 1
318 1 19 ALA H 1 19 ALA MB 3.160 . 3.360 2.385 2.277 2.587 . 0 0 "[ . 1 . 2]" 1
319 1 19 ALA MB 1 22 PHE H 4.550 . 4.750 4.157 3.621 4.555 . 0 0 "[ . 1 . 2]" 1
320 1 19 ALA MB 1 54 PRO HD2 4.180 . 4.380 3.571 2.631 4.292 . 0 0 "[ . 1 . 2]" 1
321 1 15 THR MG 1 93 LYS QE 4.840 . 5.040 4.854 3.652 6.810 1.770 16 3 "[ . * 1 -+ 2]" 1
322 1 19 ALA MB 1 54 PRO QB 4.260 . 4.460 4.113 3.223 4.521 0.061 16 0 "[ . 1 . 2]" 1
323 1 11 GLN QG 1 95 THR MG 3.530 . 3.730 1.990 1.797 3.895 0.165 5 0 "[ . 1 . 2]" 1
324 1 67 MET QB 1 95 THR MG 3.300 . 3.500 3.025 2.200 3.515 0.015 20 0 "[ . 1 . 2]" 1
325 1 13 THR MG 1 93 LYS QD 4.040 . 4.240 4.188 2.801 5.478 1.238 9 5 "[ * *+1 - * 2]" 1
326 1 95 THR MG 1 97 ARG QG 4.890 . 5.090 4.910 3.607 6.204 1.114 3 5 "[ +** 1 *. -]" 1
327 1 65 VAL QG 1 66 ALA MB 4.060 . 4.260 3.951 3.766 4.441 0.181 4 0 "[ . 1 . 2]" 1
328 1 49 VAL QG 1 57 GLY H . . 4.460 4.918 4.571 5.303 0.843 12 9 "[- * ** *** + . * 2]" 1
329 1 82 VAL MG1 1 83 GLN H 4.380 . 4.580 2.685 1.872 3.685 . 0 0 "[ . 1 . 2]" 1
330 1 55 ALA H 1 55 ALA MB 3.360 . 3.560 2.394 2.280 2.463 . 0 0 "[ . 1 . 2]" 1
331 1 82 VAL MG1 1 85 LEU H 5.500 . 5.700 4.963 4.548 5.255 . 0 0 "[ . 1 . 2]" 1
332 1 55 ALA MB 1 58 GLN HB3 4.650 . 4.850 3.867 2.587 4.520 . 0 0 "[ . 1 . 2]" 1
333 1 19 ALA MB 1 54 PRO HG3 4.120 . 4.320 3.071 2.621 3.524 . 0 0 "[ . 1 . 2]" 1
334 1 71 VAL QG 1 84 GLN QG . . 3.090 2.010 1.747 2.882 . 0 0 "[ . 1 . 2]" 1
335 1 13 THR MG 1 67 MET QB 5.100 . 5.300 4.651 3.589 6.380 1.080 4 2 "[ +. 1 . -]" 1
336 1 49 VAL QG 1 55 ALA MB . . 3.750 3.604 3.126 3.883 0.133 12 0 "[ . 1 . 2]" 1
337 1 68 VAL QG 1 94 ILE QG . . 3.740 2.243 1.793 3.500 . 0 0 "[ . 1 . 2]" 1
338 1 26 ILE MG 1 55 ALA MB 2.720 . 2.920 1.824 1.675 3.361 0.441 14 0 "[ . 1 . 2]" 1
339 1 16 LEU QD 1 55 ALA MB 2.860 . 3.060 1.910 1.667 2.338 . 0 0 "[ . 1 . 2]" 1
340 1 26 ILE MD 1 55 ALA MB 4.370 . 4.570 3.575 1.826 3.940 . 0 0 "[ . 1 . 2]" 1
341 1 89 GLY H 1 92 ALA MB 4.310 . 4.510 3.816 3.604 4.040 . 0 0 "[ . 1 . 2]" 1
342 1 66 ALA MB 1 67 MET H 3.420 . 3.620 2.848 2.520 3.402 . 0 0 "[ . 1 . 2]" 1
343 1 88 SER H 1 92 ALA MB 3.870 . 4.070 3.912 3.646 4.300 0.230 6 0 "[ . 1 . 2]" 1
344 1 24 PHE QR 1 92 ALA MB 5.000 . 5.200 3.519 1.768 5.360 0.160 15 0 "[ . 1 . 2]" 1
345 1 66 ALA MB 1 97 ARG HD3 4.540 . 4.740 2.456 1.951 3.277 . 0 0 "[ . 1 . 2]" 1
346 1 66 ALA MB 1 67 MET QB 4.310 . 4.510 3.188 3.074 3.324 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU QB 1 92 ALA MB 3.860 . 4.060 3.342 2.818 3.778 . 0 0 "[ . 1 . 2]" 1
348 1 66 ALA MB 1 97 ARG QG 3.980 . 4.180 3.568 3.204 3.990 . 0 0 "[ . 1 . 2]" 1
349 1 92 ALA MB 1 94 ILE QG 3.890 . 4.090 3.567 3.277 3.841 . 0 0 "[ . 1 . 2]" 1
350 1 81 ALA MB 1 83 GLN H 4.780 . 4.980 4.597 4.385 4.847 . 0 0 "[ . 1 . 2]" 1
351 1 26 ILE MG 1 55 ALA H 5.080 . 5.280 4.361 3.984 6.023 0.743 14 1 "[ . 1 +. 2]" 1
352 1 26 ILE MG 1 50 LEU H 4.850 . 5.050 4.207 3.734 4.746 . 0 0 "[ . 1 . 2]" 1
353 1 28 ILE HB 1 81 ALA MB 4.440 . 4.640 3.907 3.285 4.665 0.025 17 0 "[ . 1 . 2]" 1
354 1 32 ARG QG 1 76 VAL QG 4.570 . 4.770 3.908 3.345 4.929 0.159 8 0 "[ . 1 . 2]" 1
355 1 26 ILE MD 1 26 ILE MG 2.950 . 3.150 2.816 2.385 3.198 0.048 20 0 "[ . 1 . 2]" 1
356 1 81 ALA MB 1 85 LEU HG 5.080 . 5.280 4.770 4.451 5.041 . 0 0 "[ . 1 . 2]" 1
357 1 79 ALA H 1 79 ALA MB 2.830 . 3.030 2.160 2.087 2.240 . 0 0 "[ . 1 . 2]" 1
358 1 46 ILE MG 1 62 ASN H 5.410 . 5.610 6.024 5.429 6.416 0.806 10 9 "[** *. * + * **-2]" 1
359 1 28 ILE MG 1 45 VAL H 4.670 . 4.870 5.101 3.863 6.251 1.381 17 9 "[* * . ***1- * . + *2]" 1
360 1 28 ILE H 1 28 ILE MG 3.990 . 4.190 2.661 1.959 3.788 . 0 0 "[ . 1 . 2]" 1
361 1 79 ALA MB 1 83 GLN H 4.850 . 5.050 4.498 4.348 4.635 . 0 0 "[ . 1 . 2]" 1
362 1 79 ALA MB 1 82 VAL H 4.960 . 5.160 4.693 4.514 4.831 . 0 0 "[ . 1 . 2]" 1
363 1 77 GLU QB 1 79 ALA MB 4.170 . 4.370 3.314 3.079 3.589 . 0 0 "[ . 1 . 2]" 1
364 1 77 GLU QG 1 79 ALA MB 4.460 . 4.660 3.380 2.162 4.968 0.308 3 0 "[ . 1 . 2]" 1
365 1 28 ILE MD 1 28 ILE MG 2.760 . 2.960 2.476 1.731 3.176 0.216 18 0 "[ . 1 . 2]" 1
366 1 46 ILE H 1 46 ILE MG 4.510 . 4.710 3.633 2.248 3.805 . 0 0 "[ . 1 . 2]" 1
367 1 46 ILE MG 1 63 ASP H 5.500 . 5.700 5.995 5.166 6.450 0.750 2 7 "[*+ *. * - ** 2]" 1
368 1 76 VAL QG 1 80 PHE QR 4.230 . 4.430 3.407 2.029 4.281 . 0 0 "[ . 1 . 2]" 1
369 1 46 ILE MG 1 61 GLU HA 4.140 . 4.340 4.734 4.002 5.214 0.874 10 8 "[** *. * + - **2]" 1
370 1 44 ILE MG 1 73 MET QG 5.460 . 5.660 3.725 1.891 4.621 . 0 0 "[ . 1 . 2]" 1
371 1 73 MET QG 1 94 ILE MG 5.500 . 5.700 4.020 3.415 4.911 . 0 0 "[ . 1 . 2]" 1
372 1 76 VAL QG 1 77 GLU QG 4.330 . 4.530 4.827 3.990 5.446 0.916 4 11 "[ * +-* 1*** * ***]" 1
373 1 28 ILE MG 1 44 ILE HB 4.500 . 4.700 4.655 3.634 6.343 1.643 7 3 "[ . + 1 - . * 2]" 1
374 1 28 ILE MG 1 81 ALA MB 3.450 . 3.650 3.157 2.093 4.186 0.536 13 1 "[ . 1 + . 2]" 1
375 1 76 VAL QG 1 81 ALA MB 3.460 . 3.660 2.278 1.929 3.073 . 0 0 "[ . 1 . 2]" 1
376 1 44 ILE MD 1 44 ILE MG 2.540 . 2.740 2.501 1.750 3.234 0.494 13 0 "[ . 1 . 2]" 1
377 1 94 ILE MG 1 96 ILE H 4.940 . 5.140 4.355 4.201 4.613 . 0 0 "[ . 1 . 2]" 1
378 1 65 VAL HA 1 94 ILE MG 4.840 . 5.040 3.727 3.467 3.970 . 0 0 "[ . 1 . 2]" 1
379 1 76 VAL QG 1 84 GLN QG 4.760 . 4.960 4.599 3.848 5.522 0.562 1 1 "[+ . 1 . 2]" 1
380 1 44 ILE MG 1 81 ALA MB 3.280 . 3.480 3.154 2.632 3.735 0.255 12 0 "[ . 1 . 2]" 1
381 1 8 ILE MD 1 8 ILE MG 3.320 . 3.520 2.226 1.670 3.242 . 0 0 "[ . 1 . 2]" 1
382 1 94 ILE MD 1 94 ILE MG 3.170 . 3.370 2.549 1.789 3.179 . 0 0 "[ . 1 . 2]" 1
383 1 96 ILE MD 1 98 ARG HB3 4.460 . 4.660 4.273 3.377 5.255 0.595 15 3 "[ - . * 1 + 2]" 1
384 1 28 ILE MD 1 82 VAL H 4.370 . 4.570 3.605 2.760 4.737 0.167 16 0 "[ . 1 . 2]" 1
385 1 28 ILE MD 1 81 ALA H 5.430 . 5.630 4.962 3.772 6.403 0.773 13 2 "[ . 1 + - 2]" 1
386 1 28 ILE MD 1 44 ILE HB 4.700 . 4.900 5.561 3.518 7.216 2.316 14 9 "[* * .* * * *+* -]" 1
387 1 28 ILE MD 1 82 VAL HB 5.090 . 5.290 3.464 1.996 5.887 0.597 7 1 "[ . + 1 . 2]" 1
388 1 28 ILE MD 1 85 LEU HG 4.530 . 4.730 4.488 3.493 6.080 1.350 1 5 "[+ * -1* . * 2]" 1
389 1 28 ILE MD 1 81 ALA MB 2.930 . 3.130 2.996 1.776 4.496 1.366 13 8 "[* * .* * * +-* 2]" 1
390 1 28 ILE MD 1 44 ILE MG 2.880 . 3.080 3.733 2.060 4.959 1.879 6 13 "[*****+ * * -*** *]" 1
391 1 92 ALA H 1 94 ILE MD 5.180 . 5.380 5.373 4.629 6.377 0.997 1 5 "[+ * . 1 - ** 2]" 1
392 1 94 ILE MD 1 95 THR H 5.500 . 5.700 4.878 3.719 5.238 . 0 0 "[ . 1 . 2]" 1
393 1 8 ILE H 1 8 ILE MD 4.750 . 4.950 3.670 2.356 4.620 . 0 0 "[ . 1 . 2]" 1
394 1 8 ILE MD 1 10 GLU QG 4.940 . 5.140 5.980 3.971 7.569 2.429 2 14 "[ +**.***-1 ***.*** *]" 1
395 1 8 ILE MD 1 10 GLU QB 4.880 . 5.080 6.120 2.758 7.628 2.548 8 14 "[** *. *+** ** ***- *]" 1
396 1 8 ILE HB 1 8 ILE MD 3.460 . 3.660 2.640 2.049 3.231 . 0 0 "[ . 1 . 2]" 1
397 1 94 ILE HB 1 94 ILE MD 3.490 . 3.690 2.402 2.007 3.226 . 0 0 "[ . 1 . 2]" 1
398 1 16 LEU QB 1 94 ILE MD 4.660 . 4.860 3.593 2.783 4.975 0.115 8 0 "[ . 1 . 2]" 1
399 1 59 LEU QB 1 94 ILE MD 4.980 . 5.180 4.309 3.640 5.704 0.524 8 1 "[ . + 1 . 2]" 1
400 1 26 ILE MD 1 46 ILE MD 3.160 . 3.360 3.250 1.764 5.176 1.816 5 6 "[ *+ 1 * *. - *]" 1
401 1 46 ILE MD 1 63 ASP H 5.140 . 5.340 4.628 3.452 6.538 1.198 11 5 "[ * .- * 1+ * 2]" 1
402 1 26 ILE HB 1 46 ILE MD 4.440 . 4.640 3.999 2.282 5.736 1.096 14 1 "[ . 1 +. 2]" 1
403 1 46 ILE MD 1 96 ILE MG 3.420 . 3.620 3.371 2.438 6.410 2.790 12 2 "[ - 1 + . 2]" 1
404 1 44 ILE MD 1 45 VAL H 4.910 . 5.110 4.171 2.915 5.247 0.137 3 0 "[ . 1 . 2]" 1
405 1 44 ILE MD 1 81 ALA H 4.670 . 4.870 4.640 3.537 5.642 0.772 14 2 "[ . 1- +. 2]" 1
406 1 28 ILE HB 1 44 ILE MD 5.500 . 5.700 4.317 1.956 7.008 1.308 14 1 "[ . 1 +. 2]" 1
407 1 44 ILE MD 1 81 ALA MB 3.210 . 3.410 2.712 1.762 3.645 0.235 16 0 "[ . 1 . 2]" 1
408 1 44 ILE MD 1 76 VAL QG 3.500 . 3.700 2.538 1.667 4.286 0.586 6 1 "[ .+ 1 . 2]" 1
409 1 28 ILE MD 1 44 ILE MD 4.810 . 5.010 4.303 1.895 7.014 2.004 14 5 "[ . * *+* -]" 1
410 1 13 THR HA 1 94 ILE H 5.110 . 5.310 4.655 4.259 4.845 . 0 0 "[ . 1 . 2]" 1
411 1 13 THR HA 1 14 VAL H 3.300 . 3.500 2.143 2.134 2.155 . 0 0 "[ . 1 . 2]" 1
412 1 13 THR HA 1 13 THR MG 3.530 . 3.730 2.567 2.028 3.225 . 0 0 "[ . 1 . 2]" 1
413 1 95 THR HA 1 96 ILE H 3.550 . 3.750 2.148 2.135 2.171 . 0 0 "[ . 1 . 2]" 1
414 1 15 THR HA 1 94 ILE H 4.700 . 4.900 3.596 3.419 3.646 . 0 0 "[ . 1 . 2]" 1
415 1 15 THR HA 1 16 LEU H 3.510 . 3.710 2.145 2.138 2.152 . 0 0 "[ . 1 . 2]" 1
416 1 15 THR HA 1 93 LYS HA 4.560 . 4.760 1.945 1.879 2.029 . 0 0 "[ . 1 . 2]" 1
417 1 15 THR HA 1 16 LEU HG 4.730 . 4.930 3.707 3.526 4.094 . 0 0 "[ . 1 . 2]" 1
418 1 95 THR HA 1 95 THR MG 3.480 . 3.680 2.262 2.000 2.606 . 0 0 "[ . 1 . 2]" 1
419 1 13 THR HA 1 96 ILE MD 5.020 . 5.220 5.080 4.385 5.694 0.474 13 0 "[ . 1 . 2]" 1
420 1 95 THR HA 1 96 ILE MG 4.110 . 4.310 4.016 3.812 4.458 0.148 14 0 "[ . 1 . 2]" 1
421 1 15 THR HA 1 16 LEU QD 4.470 . 4.670 4.002 3.046 4.344 . 0 0 "[ . 1 . 2]" 1
422 1 15 THR HA 1 93 LYS QB 4.490 . 4.690 2.367 2.070 2.639 . 0 0 "[ . 1 . 2]" 1
423 1 45 VAL HA 1 65 VAL H 4.430 . 4.630 3.176 2.777 3.384 . 0 0 "[ . 1 . 2]" 1
424 1 45 VAL HA 1 46 ILE H 3.510 . 3.710 2.381 2.311 2.431 . 0 0 "[ . 1 . 2]" 1
425 1 26 ILE HA 1 27 ALA H 3.220 . 3.420 2.444 2.302 2.504 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE HA 1 49 VAL HA 4.750 . 4.950 2.471 2.337 2.705 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE HA 1 27 ALA MB 4.020 . 4.220 3.865 3.784 3.954 . 0 0 "[ . 1 . 2]" 1
428 1 45 VAL HA 1 46 ILE QG 5.070 . 5.270 3.743 3.437 4.141 . 0 0 "[ . 1 . 2]" 1
429 1 26 ILE HA 1 26 ILE MG 3.310 . 3.510 2.182 2.063 2.291 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE HA 1 46 ILE MG 3.930 . 4.130 3.759 3.278 5.292 1.162 12 1 "[ . 1 + . 2]" 1
431 1 45 VAL HA 1 46 ILE MD 4.010 . 4.210 3.685 2.994 5.632 1.422 5 2 "[ + 1 - . 2]" 1
432 1 45 VAL HA 1 65 VAL QG 4.310 . 4.510 2.618 2.093 3.329 . 0 0 "[ . 1 . 2]" 1
433 1 26 ILE HA 1 26 ILE MD 4.340 . 4.540 3.961 3.654 4.148 . 0 0 "[ . 1 . 2]" 1
434 1 28 ILE HA 1 48 ASP H 5.500 . 5.700 5.491 5.123 5.707 0.007 10 0 "[ . 1 . 2]" 1
435 1 27 ALA MB 1 28 ILE HA 5.040 . 5.240 4.371 4.140 4.490 . 0 0 "[ . 1 . 2]" 1
436 1 28 ILE HA 1 46 ILE QG 5.220 . 5.420 4.375 3.561 5.610 0.190 5 0 "[ . 1 . 2]" 1
437 1 28 ILE HA 1 28 ILE MG 3.170 . 3.370 2.413 2.190 3.206 . 0 0 "[ . 1 . 2]" 1
438 1 28 ILE HA 1 28 ILE MD 4.240 . 4.440 3.654 2.030 4.165 . 0 0 "[ . 1 . 2]" 1
439 1 65 VAL HA 1 96 ILE HA 4.100 . 4.300 2.151 1.909 2.379 . 0 0 "[ . 1 . 2]" 1
440 1 96 ILE HA 1 97 ARG QG 5.060 . 5.260 3.758 3.462 4.074 . 0 0 "[ . 1 . 2]" 1
441 1 66 ALA MB 1 96 ILE HA 4.740 . 4.940 3.724 3.415 4.331 . 0 0 "[ . 1 . 2]" 1
442 1 95 THR MG 1 96 ILE HA 4.890 . 5.090 4.241 3.782 5.502 0.412 5 0 "[ . 1 . 2]" 1
443 1 96 ILE HA 1 96 ILE MG 3.260 . 3.460 2.251 2.112 2.324 . 0 0 "[ . 1 . 2]" 1
444 1 65 VAL QG 1 96 ILE HA 5.500 . 5.700 3.385 3.156 3.627 . 0 0 "[ . 1 . 2]" 1
445 1 9 TRP HA 1 10 GLU H 3.220 . 3.420 2.216 2.144 2.293 . 0 0 "[ . 1 . 2]" 1
446 1 67 MET HA 1 68 VAL H 3.310 . 3.510 2.268 2.211 2.322 . 0 0 "[ . 1 . 2]" 1
447 1 67 MET HA 1 73 MET H 4.720 . 4.920 2.509 2.144 2.944 . 0 0 "[ . 1 . 2]" 1
448 1 9 TRP HA 1 99 LYS HA 4.140 . 4.340 3.308 2.419 4.223 . 0 0 "[ . 1 . 2]" 1
449 1 67 MET HA 1 73 MET QG 4.920 . 5.120 2.941 2.142 4.290 . 0 0 "[ . 1 . 2]" 1
450 1 67 MET HA 1 73 MET HB2 3.990 . 4.190 3.118 2.773 3.414 . 0 0 "[ . 1 . 2]" 1
451 1 9 TRP HA 1 10 GLU QB 4.630 . 4.830 4.096 3.930 4.470 . 0 0 "[ . 1 . 2]" 1
452 1 66 ALA MB 1 67 MET HA 4.970 . 5.170 4.252 4.136 4.383 . 0 0 "[ . 1 . 2]" 1
453 1 67 MET HA 1 95 THR MG 5.370 . 5.570 5.356 4.535 5.817 0.247 20 0 "[ . 1 . 2]" 1
454 1 97 ARG HA 1 98 ARG H 3.540 . 3.740 2.219 2.162 2.263 . 0 0 "[ . 1 . 2]" 1
455 1 11 GLN HA 1 12 HIS H 3.120 . 3.320 2.142 2.126 2.166 . 0 0 "[ . 1 . 2]" 1
456 1 12 HIS H 1 97 ARG HA 4.660 . 4.860 3.307 2.986 3.491 . 0 0 "[ . 1 . 2]" 1
457 1 11 GLN HA 1 97 ARG HA 4.670 . 4.870 2.529 2.085 2.759 . 0 0 "[ . 1 . 2]" 1
458 1 11 GLN QG 1 97 ARG HA 5.000 . 5.200 4.013 3.736 4.207 . 0 0 "[ . 1 . 2]" 1
459 1 11 GLN QB 1 97 ARG HA 4.520 . 4.720 4.436 3.929 4.782 0.062 12 0 "[ . 1 . 2]" 1
460 1 95 THR MG 1 97 ARG HA 5.300 . 5.500 5.543 5.131 7.636 2.136 5 1 "[ + 1 . 2]" 1
461 1 11 GLN HA 1 95 THR MG 4.810 . 5.010 4.150 3.685 6.366 1.356 5 1 "[ + 1 . 2]" 1
462 1 96 ILE MD 1 97 ARG HA 4.230 . 4.430 3.153 2.904 4.870 0.440 14 0 "[ . 1 . 2]" 1
463 1 98 ARG HA 1 99 LYS H 3.320 . 3.520 2.290 2.180 2.376 . 0 0 "[ . 1 . 2]" 1
464 1 11 GLN HA 1 96 ILE MD 4.470 . 4.670 4.333 4.006 6.229 1.559 14 1 "[ . 1 +. 2]" 1
465 1 17 HIS HA 1 18 ARG H 3.260 . 3.460 2.148 2.140 2.169 . 0 0 "[ . 1 . 2]" 1
466 1 17 HIS HA 1 91 ASN HA 4.580 . 4.780 2.313 2.002 2.849 . 0 0 "[ . 1 . 2]" 1
467 1 17 HIS HA 1 18 ARG QB 4.490 . 4.690 4.366 4.145 4.527 . 0 0 "[ . 1 . 2]" 1
468 1 44 ILE HB 1 73 MET HA 4.400 . 4.600 4.319 3.402 4.610 0.010 1 0 "[ . 1 . 2]" 1
469 1 44 ILE QG 1 73 MET HA 5.100 . 5.300 4.084 2.849 6.008 0.708 6 4 "[ - **+ 1 . 2]" 1
470 1 73 MET HA 1 76 VAL QG 3.560 . 3.760 2.037 1.834 2.630 . 0 0 "[ . 1 . 2]" 1
471 1 91 ASN HA 1 92 ALA H 3.190 . 3.390 2.419 2.331 2.533 . 0 0 "[ . 1 . 2]" 1
472 1 15 THR MG 1 91 ASN HA 4.390 . 4.590 4.011 2.766 5.386 0.796 15 6 "[ **. - 1 * *+ 2]" 1
473 1 91 ASN HA 1 92 ALA MB 4.430 . 4.630 4.311 4.245 4.385 . 0 0 "[ . 1 . 2]" 1
474 1 19 ALA HA 1 54 PRO HG3 5.500 . 5.700 5.340 4.666 5.703 0.003 17 0 "[ . 1 . 2]" 1
475 1 98 ARG H 1 98 ARG QG 3.960 . 4.160 2.857 2.564 3.564 . 0 0 "[ . 1 . 2]" 1
476 1 7 HIS H 1 8 ILE H 3.080 . 3.280 2.531 1.922 3.048 . 0 0 "[ . 1 . 2]" 1
477 1 7 HIS H 1 8 ILE MG 5.360 . 5.560 4.682 3.029 5.992 0.432 15 0 "[ . 1 . 2]" 1
478 1 7 HIS H 1 99 LYS HD3 5.500 . 5.700 5.128 4.155 5.706 0.006 9 0 "[ . 1 . 2]" 1
479 1 7 HIS H 1 99 LYS HD2 5.500 . 5.700 4.980 3.675 5.704 0.004 14 0 "[ . 1 . 2]" 1
480 1 7 HIS QB 1 8 ILE H 3.880 . 4.080 3.755 3.003 4.025 . 0 0 "[ . 1 . 2]" 1
481 1 8 ILE H 1 8 ILE MG 3.080 . 3.280 3.159 1.944 3.877 0.597 20 10 "[ * *. ***1 -* .** +]" 1
482 1 8 ILE H 1 99 LYS QB 3.960 . 4.160 3.487 2.805 4.399 0.239 18 0 "[ . 1 . 2]" 1
483 1 8 ILE H 1 99 LYS HG2 5.500 . 5.700 5.593 5.132 5.725 0.025 7 0 "[ . 1 . 2]" 1
484 1 9 TRP H 1 10 GLU QG 5.500 . 5.700 5.883 4.348 6.819 1.119 3 11 "[ *+ * * 1- **.* ***]" 1
485 1 9 TRP H 1 99 LYS HG2 5.210 . 5.410 4.701 3.862 5.422 0.012 8 0 "[ . 1 . 2]" 1
486 1 8 ILE MD 1 9 TRP H 3.530 . 3.730 4.285 2.476 5.361 1.631 7 10 "[* *.-+ ** *** *]" 1
487 1 9 TRP HA 1 98 ARG H 5.460 . 5.660 4.291 3.903 4.683 . 0 0 "[ . 1 . 2]" 1
488 1 9 TRP HA 1 99 LYS H 4.320 . 4.520 4.401 4.163 4.549 0.029 4 0 "[ . 1 . 2]" 1
489 1 9 TRP HB2 1 10 GLU H 4.150 . 4.350 3.140 2.662 4.354 0.004 19 0 "[ . 1 . 2]" 1
490 1 9 TRP HB3 1 10 GLU H 4.150 . 4.350 3.807 2.979 4.173 . 0 0 "[ . 1 . 2]" 1
491 1 10 GLU H 1 10 GLU QG 3.910 . 4.110 3.619 1.948 4.207 0.097 7 0 "[ . 1 . 2]" 1
492 1 10 GLU H 1 11 GLN H 4.520 . 4.720 4.483 4.421 4.516 . 0 0 "[ . 1 . 2]" 1
493 1 10 GLU H 1 11 GLN HA 5.500 . 5.700 4.920 4.790 5.001 . 0 0 "[ . 1 . 2]" 1
494 1 10 GLU H 1 97 ARG HA 4.840 . 5.040 4.171 3.828 4.424 . 0 0 "[ . 1 . 2]" 1
495 1 10 GLU H 1 98 ARG H 2.910 . 3.110 2.877 2.463 3.125 0.015 15 0 "[ . 1 . 2]" 1
496 1 10 GLU H 1 98 ARG HA 4.880 . 5.080 4.688 4.466 4.988 . 0 0 "[ . 1 . 2]" 1
497 1 10 GLU H 1 98 ARG HB2 5.400 . 5.600 5.499 4.483 5.638 0.038 10 0 "[ . 1 . 2]" 1
498 1 10 GLU H 1 98 ARG QG 5.410 . 5.610 5.008 3.552 5.973 0.363 3 0 "[ . 1 . 2]" 1
499 1 10 GLU H 1 99 LYS H 4.930 . 5.130 5.078 4.814 5.148 0.018 20 0 "[ . 1 . 2]" 1
500 1 10 GLU H 1 99 LYS HA 4.390 . 4.590 4.079 3.612 4.550 . 0 0 "[ . 1 . 2]" 1
501 1 10 GLU H 1 99 LYS HG2 5.500 . 5.700 4.912 3.887 5.633 . 0 0 "[ . 1 . 2]" 1
502 1 8 ILE MD 1 10 GLU H 4.710 . 4.910 6.589 3.530 7.288 2.378 16 19 [**-*.**********+****] 1
503 1 10 GLU HA 1 98 ARG H 5.380 . 5.580 5.060 4.801 5.313 . 0 0 "[ . 1 . 2]" 1
504 1 10 GLU QB 1 11 GLN H 3.430 . 3.630 3.121 2.626 3.589 . 0 0 "[ . 1 . 2]" 1
505 1 10 GLU QB 1 98 ARG H 4.050 . 4.250 3.876 3.443 4.863 0.613 6 1 "[ .+ 1 . 2]" 1
506 1 10 GLU QG 1 11 GLN H 3.760 . 3.960 3.103 2.014 4.411 0.451 10 0 "[ . 1 . 2]" 1
507 1 11 GLN H 1 12 HIS HA 5.500 . 5.700 5.125 5.072 5.163 . 0 0 "[ . 1 . 2]" 1
508 1 12 HIS H 1 97 ARG H 4.950 . 5.150 4.858 4.714 4.973 . 0 0 "[ . 1 . 2]" 1
509 1 11 GLN H 1 97 ARG HA 5.500 . 5.700 4.761 4.395 4.970 . 0 0 "[ . 1 . 2]" 1
510 1 11 GLN H 1 97 ARG HB2 5.500 . 5.700 5.330 4.707 5.777 0.077 19 0 "[ . 1 . 2]" 1
511 1 11 GLN H 1 97 ARG HB3 5.500 . 5.700 4.258 4.185 4.403 . 0 0 "[ . 1 . 2]" 1
512 1 11 GLN H 1 97 ARG QG 5.310 . 5.510 4.738 3.339 6.218 0.708 4 5 "[ *+. * 1 - . *]" 1
513 1 11 GLN H 1 97 ARG HD2 5.500 . 5.700 5.687 5.423 5.766 0.066 19 0 "[ . 1 . 2]" 1
514 1 11 GLN HA 1 96 ILE H 4.990 . 5.190 4.620 4.243 5.035 . 0 0 "[ . 1 . 2]" 1
515 1 11 GLN HA 1 97 ARG H 4.770 . 4.970 4.489 4.218 4.697 . 0 0 "[ . 1 . 2]" 1
516 1 11 GLN HA 1 98 ARG H 4.270 . 4.470 4.280 3.841 4.479 0.009 12 0 "[ . 1 . 2]" 1
517 1 11 GLN QB 1 12 HIS H 3.880 . 4.080 3.680 3.544 3.739 . 0 0 "[ . 1 . 2]" 1
518 1 11 GLN QG 1 12 HIS H 3.660 . 3.860 2.685 2.287 2.905 . 0 0 "[ . 1 . 2]" 1
519 1 11 GLN QG 1 13 THR H 5.270 . 5.470 4.899 4.553 5.299 . 0 0 "[ . 1 . 2]" 1
520 1 11 GLN QG 1 96 ILE H 4.940 . 4.970 3.714 3.050 4.139 . 0 0 "[ . 1 . 2]" 1
521 1 11 GLN QG 1 97 ARG H 5.500 . 5.540 4.424 4.035 4.728 . 0 0 "[ . 1 . 2]" 1
522 1 12 HIS H 1 13 THR H 4.390 . 4.590 4.373 4.354 4.424 . 0 0 "[ . 1 . 2]" 1
523 1 12 HIS H 1 96 ILE H 3.360 . 3.560 3.109 2.799 3.468 . 0 0 "[ . 1 . 2]" 1
524 1 12 HIS H 1 96 ILE MD 3.010 . 3.210 3.229 2.738 4.952 1.742 14 1 "[ . 1 +. 2]" 1
525 1 12 HIS H 1 98 ARG H 5.090 . 5.290 5.143 4.826 5.304 0.014 15 0 "[ . 1 . 2]" 1
526 1 12 HIS H 1 98 ARG HD2 5.500 . 5.700 5.240 4.092 5.719 0.019 17 0 "[ . 1 . 2]" 1
527 1 12 HIS H 1 98 ARG HD3 5.500 . 5.700 5.163 4.503 5.707 0.007 12 0 "[ . 1 . 2]" 1
528 1 12 HIS HB2 1 13 THR H 4.120 . 4.320 4.110 3.927 4.233 . 0 0 "[ . 1 . 2]" 1
529 1 12 HIS HB3 1 13 THR H 3.850 . 4.050 3.054 3.026 3.088 . 0 0 "[ . 1 . 2]" 1
530 1 12 HIS HB2 1 14 VAL H 5.500 . 5.700 5.691 5.563 5.744 0.044 17 0 "[ . 1 . 2]" 1
531 1 12 HIS HB3 1 14 VAL H 5.500 . 5.700 5.236 4.810 5.709 0.009 15 0 "[ . 1 . 2]" 1
532 1 12 HIS HB2 1 96 ILE H 5.210 . 5.410 4.089 3.712 4.383 . 0 0 "[ . 1 . 2]" 1
533 1 96 ILE H 1 97 ARG HD2 5.500 . 5.700 5.425 4.544 5.714 0.014 11 0 "[ . 1 . 2]" 1
534 1 12 HIS HB3 1 96 ILE H 5.500 . 5.700 5.026 4.675 5.281 . 0 0 "[ . 1 . 2]" 1
535 1 12 HIS HD2 1 13 THR H 5.500 . 5.700 4.692 4.092 5.703 0.003 2 0 "[ . 1 . 2]" 1
536 1 13 THR H 1 13 THR MG 3.930 . 4.130 2.918 1.956 3.887 . 0 0 "[ . 1 . 2]" 1
537 1 13 THR H 1 14 VAL H 4.560 . 4.760 4.344 4.261 4.429 . 0 0 "[ . 1 . 2]" 1
538 1 13 THR H 1 95 THR HA 4.850 . 5.050 4.547 4.251 4.739 . 0 0 "[ . 1 . 2]" 1
539 1 13 THR H 1 95 THR MG 5.390 . 5.590 3.580 2.981 4.423 . 0 0 "[ . 1 . 2]" 1
540 1 13 THR H 1 96 ILE H 5.160 . 5.360 5.092 5.041 5.137 . 0 0 "[ . 1 . 2]" 1
541 1 13 THR HA 1 95 THR H 4.770 . 4.970 4.445 4.193 4.697 . 0 0 "[ . 1 . 2]" 1
542 1 13 THR HA 1 96 ILE H 3.780 . 3.980 3.536 3.281 3.740 . 0 0 "[ . 1 . 2]" 1
543 1 13 THR MG 1 14 VAL H 3.180 . 3.380 3.646 2.780 4.268 0.888 8 11 "[ * -***+*1 * * * *]" 1
544 1 13 THR MG 1 94 ILE H 3.750 . 3.950 5.054 3.629 6.301 2.351 15 11 "[ * *****-1 * + * *]" 1
545 1 13 THR MG 1 95 THR H 4.940 . 5.140 4.619 2.984 6.423 1.283 4 7 "[ * +.** 1 * * -]" 1
546 1 13 THR MG 1 96 ILE H 5.220 . 5.420 4.923 4.117 5.932 0.512 4 1 "[ +. 1 . 2]" 1
547 1 14 VAL H 1 15 THR H 4.530 . 4.730 4.472 4.438 4.515 . 0 0 "[ . 1 . 2]" 1
548 1 14 VAL H 1 15 THR HA 5.500 . 5.700 4.925 4.860 5.011 . 0 0 "[ . 1 . 2]" 1
549 1 14 VAL H 1 93 LYS HA 5.400 . 5.600 4.628 4.478 4.796 . 0 0 "[ . 1 . 2]" 1
550 1 14 VAL H 1 93 LYS QB 4.640 . 4.840 4.006 3.879 4.336 . 0 0 "[ . 1 . 2]" 1
551 1 14 VAL H 1 94 ILE HB 4.710 . 4.910 4.561 4.381 4.681 . 0 0 "[ . 1 . 2]" 1
552 1 14 VAL H 1 93 LYS QG 4.760 . 4.960 4.765 4.588 4.809 . 0 0 "[ . 1 . 2]" 1
553 1 14 VAL H 1 94 ILE H 3.500 . 3.700 3.190 3.043 3.346 . 0 0 "[ . 1 . 2]" 1
554 1 14 VAL H 1 94 ILE HA 5.500 . 5.700 4.941 4.795 5.078 . 0 0 "[ . 1 . 2]" 1
555 1 14 VAL H 1 94 ILE MD 4.750 . 4.950 5.521 4.689 6.271 1.321 15 11 "[***-. **** + ** 2]" 1
556 1 14 VAL H 1 95 THR H 5.410 . 5.610 4.939 4.659 5.107 . 0 0 "[ . 1 . 2]" 1
557 1 14 VAL H 1 95 THR HA 4.030 . 4.230 3.331 3.078 3.547 . 0 0 "[ . 1 . 2]" 1
558 1 14 VAL MG2 1 15 THR H 4.160 . 4.360 3.587 1.945 4.039 . 0 0 "[ . 1 . 2]" 1
559 1 15 THR H 1 16 LEU QD 4.400 . 4.600 4.229 3.609 4.573 . 0 0 "[ . 1 . 2]" 1
560 1 94 ILE MG 1 95 THR H 2.840 . 3.040 2.370 2.187 2.538 . 0 0 "[ . 1 . 2]" 1
561 1 15 THR H 1 16 LEU H 4.620 . 4.820 4.309 4.169 4.389 . 0 0 "[ . 1 . 2]" 1
562 1 15 THR H 1 93 LYS QB . . 4.770 4.023 3.696 4.418 . 0 0 "[ . 1 . 2]" 1
563 1 14 VAL MG1 1 15 THR H 4.160 . 4.360 2.546 1.938 3.687 . 0 0 "[ . 1 . 2]" 1
564 1 15 THR H 1 15 THR MG 4.110 . 4.310 3.143 1.949 3.858 . 0 0 "[ . 1 . 2]" 1
565 1 15 THR H 1 93 LYS HA 4.810 . 5.010 4.480 4.328 4.515 . 0 0 "[ . 1 . 2]" 1
566 1 15 THR H 1 94 ILE H 5.220 . 5.420 5.062 4.879 5.128 . 0 0 "[ . 1 . 2]" 1
567 1 15 THR H 1 16 LEU HA 5.260 . 5.460 4.989 4.784 5.103 . 0 0 "[ . 1 . 2]" 1
568 1 15 THR H 1 94 ILE MD 5.500 . 5.700 6.715 5.511 7.810 2.110 1 11 "[+**-. **** * ** 2]" 1
569 1 15 THR HA 1 17 HIS H 5.500 . 5.700 5.682 5.576 5.707 0.007 12 0 "[ . 1 . 2]" 1
570 1 15 THR HA 1 92 ALA H 5.500 . 5.700 5.023 4.826 5.086 . 0 0 "[ . 1 . 2]" 1
571 1 15 THR HA 1 93 LYS H 5.500 . 5.700 4.030 3.821 4.239 . 0 0 "[ . 1 . 2]" 1
572 1 15 THR MG 1 16 LEU H 3.000 . 3.200 3.548 2.879 4.238 1.038 3 10 "[ +*. *-1 ***** * 2]" 1
573 1 15 THR MG 1 17 HIS H 4.460 . 4.660 4.895 4.119 6.309 1.649 3 5 "[ +*. -1 * . * 2]" 1
574 1 15 THR MG 1 91 ASN H 4.740 . 4.940 6.145 4.885 7.674 2.734 15 10 "[ **. *-1 ***+* * 2]" 1
575 1 15 THR MG 1 92 ALA H 3.810 . 4.010 4.718 3.611 6.167 2.157 15 10 "[ **. *-1 ***+* * 2]" 1
576 1 15 THR MG 1 93 LYS H 4.150 . 4.350 4.290 3.305 6.213 1.863 14 5 "[ . * 1 -+** 2]" 1
577 1 16 LEU H 1 16 LEU HG 3.000 . 3.200 2.451 2.209 2.880 . 0 0 "[ . 1 . 2]" 1
578 1 16 LEU H 1 17 HIS H 4.150 . 4.350 4.304 4.253 4.322 . 0 0 "[ . 1 . 2]" 1
579 1 16 LEU H 1 17 HIS HA 4.940 . 5.140 4.983 4.946 5.033 . 0 0 "[ . 1 . 2]" 1
580 1 16 LEU H 1 91 ASN HA 5.500 . 5.700 4.655 4.450 4.835 . 0 0 "[ . 1 . 2]" 1
581 1 16 LEU H 1 92 ALA H 3.480 . 3.680 3.682 3.618 3.699 0.019 8 0 "[ . 1 . 2]" 1
582 1 16 LEU H 1 92 ALA MB 3.860 . 4.060 3.962 3.750 4.054 . 0 0 "[ . 1 . 2]" 1
583 1 16 LEU H 1 93 LYS H 4.470 . 4.670 4.284 3.966 4.557 . 0 0 "[ . 1 . 2]" 1
584 1 16 LEU H 1 93 LYS HA 4.950 . 5.150 2.480 2.213 2.754 . 0 0 "[ . 1 . 2]" 1
585 1 16 LEU H 1 16 LEU QB 3.370 . 3.570 2.653 2.511 2.733 . 0 0 "[ . 1 . 2]" 1
586 1 16 LEU H 1 94 ILE H 4.630 . 4.830 4.004 3.790 4.125 . 0 0 "[ . 1 . 2]" 1
587 1 16 LEU H 1 94 ILE QG 5.160 . 5.360 4.727 4.098 5.354 . 0 0 "[ . 1 . 2]" 1
588 1 16 LEU H 1 16 LEU QD 3.200 . 3.400 3.016 2.083 3.343 . 0 0 "[ . 1 . 2]" 1
589 1 16 LEU H 1 94 ILE MD 3.810 . 4.010 4.219 3.102 5.234 1.224 1 10 "[+-* . **** * ** 2]" 1
590 1 91 ASN H 1 92 ALA HA 5.500 . 5.700 4.263 4.210 4.329 . 0 0 "[ . 1 . 2]" 1
591 1 16 LEU QB 1 17 HIS H 4.090 . 4.290 3.389 3.355 3.471 . 0 0 "[ . 1 . 2]" 1
592 1 16 LEU QB 1 18 ARG H 5.430 . 5.630 4.952 4.506 5.199 . 0 0 "[ . 1 . 2]" 1
593 1 16 LEU QB 1 55 ALA H 5.500 . 5.700 4.295 4.019 4.464 . 0 0 "[ . 1 . 2]" 1
594 1 93 LYS H 1 93 LYS QB 2.860 . 3.060 2.502 2.441 2.550 . 0 0 "[ . 1 . 2]" 1
595 1 16 LEU HG 1 94 ILE H 4.060 . 4.260 3.849 3.355 4.262 0.002 4 0 "[ . 1 . 2]" 1
596 1 17 HIS H 1 17 HIS HD2 5.500 . 5.700 3.841 2.000 5.513 . 0 0 "[ . 1 . 2]" 1
597 1 17 HIS H 1 91 ASN HA 5.500 . 5.700 4.406 3.919 4.866 . 0 0 "[ . 1 . 2]" 1
598 1 17 HIS H 1 92 ALA H 4.630 . 4.830 4.726 4.532 4.836 0.006 1 0 "[ . 1 . 2]" 1
599 1 17 HIS HA 1 90 LYS H 5.500 . 5.700 5.072 4.767 5.396 . 0 0 "[ . 1 . 2]" 1
600 1 17 HIS HA 1 91 ASN H 5.500 . 5.700 3.547 3.264 3.834 . 0 0 "[ . 1 . 2]" 1
601 1 17 HIS HA 1 92 ALA H 4.500 . 4.700 3.093 2.831 3.304 . 0 0 "[ . 1 . 2]" 1
602 1 17 HIS HB2 1 18 ARG H 4.440 . 4.640 3.957 3.225 4.543 . 0 0 "[ . 1 . 2]" 1
603 1 17 HIS HB3 1 18 ARG H 4.440 . 4.640 3.836 3.330 4.415 . 0 0 "[ . 1 . 2]" 1
604 1 18 ARG H 1 18 ARG HG3 3.270 . 3.470 2.655 2.098 3.382 . 0 0 "[ . 1 . 2]" 1
605 1 18 ARG H 1 18 ARG HG2 3.310 . 3.510 2.915 2.032 3.446 . 0 0 "[ . 1 . 2]" 1
606 1 17 HIS H 1 18 ARG H 4.890 . 5.090 4.473 4.308 4.555 . 0 0 "[ . 1 . 2]" 1
607 1 18 ARG H 1 19 ALA H 5.250 . 5.450 4.551 4.458 4.634 . 0 0 "[ . 1 . 2]" 1
608 1 18 ARG H 1 19 ALA HA 5.500 . 5.700 5.522 5.474 5.612 . 0 0 "[ . 1 . 2]" 1
609 1 18 ARG H 1 24 PHE HA 5.500 . 5.700 5.488 5.156 5.721 0.021 14 0 "[ . 1 . 2]" 1
610 1 18 ARG H 1 90 LYS H 3.840 . 4.040 4.001 3.827 4.056 0.016 6 0 "[ . 1 . 2]" 1
611 1 18 ARG H 1 90 LYS HA 4.490 . 4.690 2.189 1.976 2.523 . 0 0 "[ . 1 . 2]" 1
612 1 18 ARG H 1 90 LYS QB 4.010 . 4.210 4.195 3.793 4.505 0.295 6 0 "[ . 1 . 2]" 1
613 1 18 ARG H 1 91 ASN H 4.250 . 4.450 2.888 2.662 3.147 . 0 0 "[ . 1 . 2]" 1
614 1 18 ARG H 1 91 ASN HA 4.210 . 4.410 3.544 3.083 4.008 . 0 0 "[ . 1 . 2]" 1
615 1 18 ARG H 1 92 ALA H 3.630 . 3.830 3.329 2.970 3.581 . 0 0 "[ . 1 . 2]" 1
616 1 18 ARG H 1 92 ALA MB 4.560 . 4.760 4.139 3.703 4.383 . 0 0 "[ . 1 . 2]" 1
617 1 18 ARG HA 1 91 ASN H 5.250 . 5.450 5.259 4.905 5.451 0.001 1 0 "[ . 1 . 2]" 1
618 1 18 ARG QB 1 19 ALA H 3.570 . 3.770 3.145 2.744 3.407 . 0 0 "[ . 1 . 2]" 1
619 1 18 ARG QB 1 23 GLY H 5.370 . 5.570 4.812 4.151 5.536 . 0 0 "[ . 1 . 2]" 1
620 1 18 ARG QB 1 24 PHE H 5.500 . 5.700 4.748 3.958 6.046 0.346 3 0 "[ . 1 . 2]" 1
621 1 18 ARG QB 1 90 LYS H 5.040 . 5.240 3.527 2.877 4.036 . 0 0 "[ . 1 . 2]" 1
622 1 18 ARG QB 1 91 ASN H 4.600 . 4.800 3.585 2.576 4.143 . 0 0 "[ . 1 . 2]" 1
623 1 18 ARG HG2 1 24 PHE H 4.830 . 5.030 4.432 3.480 5.031 0.001 4 0 "[ . 1 . 2]" 1
624 1 18 ARG HG3 1 88 SER H 5.500 . 5.700 5.391 4.928 5.704 0.004 10 0 "[ . 1 . 2]" 1
625 1 85 LEU QD 1 88 SER H 5.500 . 5.700 4.758 4.454 5.414 . 0 0 "[ . 1 . 2]" 1
626 1 18 ARG HG3 1 89 GLY H 4.380 . 4.580 2.860 2.484 3.357 . 0 0 "[ . 1 . 2]" 1
627 1 18 ARG HG2 1 89 GLY H 4.180 . 4.380 4.216 3.902 4.390 0.010 10 0 "[ . 1 . 2]" 1
628 1 18 ARG HG3 1 91 ASN H 5.300 . 5.500 2.760 2.139 3.225 . 0 0 "[ . 1 . 2]" 1
629 1 18 ARG HG2 1 91 ASN H 5.500 . 5.700 4.052 3.087 4.658 . 0 0 "[ . 1 . 2]" 1
630 1 18 ARG HG2 1 92 ALA H 4.260 . 4.460 3.948 2.988 4.465 0.005 5 0 "[ . 1 . 2]" 1
631 1 87 LYS H 1 87 LYS QE 4.740 . 4.940 5.205 3.064 6.017 1.077 16 10 "[* * . -**1 * **+ *]" 1
632 1 18 ARG HD3 1 91 ASN H 5.500 . 5.700 4.778 4.149 5.708 0.008 11 0 "[ . 1 . 2]" 1
633 1 18 ARG HD2 1 91 ASN H 5.500 . 5.700 4.939 3.951 5.707 0.007 11 0 "[ . 1 . 2]" 1
634 1 19 ALA H 1 24 PHE H 5.140 . 5.340 5.060 4.807 5.342 0.002 13 0 "[ . 1 . 2]" 1
635 1 19 ALA H 1 24 PHE HA 5.500 . 5.700 4.991 4.019 5.646 . 0 0 "[ . 1 . 2]" 1
636 1 19 ALA H 1 90 LYS HA 5.500 . 5.700 5.418 5.127 5.704 0.004 2 0 "[ . 1 . 2]" 1
637 1 19 ALA HA 1 22 PHE H 5.500 . 5.700 5.669 5.569 5.719 0.019 2 0 "[ . 1 . 2]" 1
638 1 19 ALA MB 1 23 GLY H 3.570 . 3.770 3.721 3.031 5.293 1.523 14 1 "[ . 1 +. 2]" 1
639 1 22 PHE H 1 23 GLY H 2.740 . 2.940 2.567 2.153 2.961 0.021 14 0 "[ . 1 . 2]" 1
640 1 22 PHE H 1 23 GLY HA3 4.900 . 5.100 4.621 4.242 5.103 0.003 3 0 "[ . 1 . 2]" 1
641 1 22 PHE H 1 23 GLY HA2 4.900 . 5.100 4.215 3.873 4.733 . 0 0 "[ . 1 . 2]" 1
642 1 22 PHE H 1 50 LEU MD1 4.930 . 5.130 4.851 4.181 5.257 0.127 5 0 "[ . 1 . 2]" 1
643 1 22 PHE HA 1 25 GLY H 5.290 . 5.490 5.050 3.789 5.481 . 0 0 "[ . 1 . 2]" 1
644 1 22 PHE HB2 1 24 PHE H 5.370 . 5.570 5.147 4.313 5.586 0.016 14 0 "[ . 1 . 2]" 1
645 1 22 PHE HB3 1 24 PHE H 5.370 . 5.570 4.439 3.645 5.574 0.004 15 0 "[ . 1 . 2]" 1
646 1 23 GLY H 1 24 PHE H 3.950 . 4.150 3.890 3.164 4.164 0.014 20 0 "[ . 1 . 2]" 1
647 1 23 GLY H 1 50 LEU MD1 5.080 . 5.280 4.511 3.743 5.920 0.640 14 1 "[ . 1 +. 2]" 1
648 1 23 GLY H 1 50 LEU MD2 5.360 . 5.560 4.507 3.783 5.850 0.290 14 0 "[ . 1 . 2]" 1
649 1 24 PHE H 1 25 GLY H 3.260 . 3.460 2.542 2.151 2.718 . 0 0 "[ . 1 . 2]" 1
650 1 24 PHE H 1 25 GLY HA3 5.500 . 5.700 5.123 4.789 5.260 . 0 0 "[ . 1 . 2]" 1
651 1 24 PHE H 1 26 ILE H 4.730 . 4.930 4.430 3.842 4.680 . 0 0 "[ . 1 . 2]" 1
652 1 24 PHE H 1 92 ALA MB 5.500 . 5.700 5.565 4.650 6.363 0.663 8 1 "[ . + 1 . 2]" 1
653 1 24 PHE H 1 50 LEU MD1 5.480 . 5.680 5.993 4.902 6.603 0.923 19 6 "[ *.** 1 *- +2]" 1
654 1 24 PHE HA 1 26 ILE H 5.500 . 5.700 4.199 4.044 4.594 . 0 0 "[ . 1 . 2]" 1
655 1 24 PHE HB2 1 26 ILE H 4.580 . 4.780 2.865 2.172 4.172 . 0 0 "[ . 1 . 2]" 1
656 1 24 PHE HB3 1 26 ILE H 4.580 . 4.780 3.566 2.310 4.479 . 0 0 "[ . 1 . 2]" 1
657 1 25 GLY H 1 26 ILE H 2.910 . 3.110 2.731 2.459 2.862 . 0 0 "[ . 1 . 2]" 1
658 1 25 GLY H 1 26 ILE HA 5.500 . 5.700 4.978 4.733 5.261 . 0 0 "[ . 1 . 2]" 1
659 1 25 GLY H 1 50 LEU HG 5.210 . 5.410 5.120 4.572 5.403 . 0 0 "[ . 1 . 2]" 1
660 1 25 GLY H 1 50 LEU MD1 3.710 . 3.910 4.178 3.465 4.668 0.758 6 4 "[ *+ 1 . - *2]" 1
661 1 25 GLY H 1 50 LEU MD2 3.680 . 3.880 2.914 2.570 3.236 . 0 0 "[ . 1 . 2]" 1
662 1 25 GLY H 1 55 ALA H 5.500 . 5.700 5.168 4.776 5.472 . 0 0 "[ . 1 . 2]" 1
663 1 25 GLY H 1 55 ALA MB 4.710 . 4.910 4.451 4.026 5.073 0.163 15 0 "[ . 1 . 2]" 1
664 1 25 GLY HA2 1 50 LEU H 5.280 . 5.480 4.323 3.856 4.564 . 0 0 "[ . 1 . 2]" 1
665 1 25 GLY HA3 1 50 LEU H 5.320 . 5.520 5.242 4.819 5.524 0.004 15 0 "[ . 1 . 2]" 1
666 1 25 GLY HA2 1 51 LYS H 5.500 . 5.700 5.089 4.439 5.416 . 0 0 "[ . 1 . 2]" 1
667 1 25 GLY HA3 1 51 LYS H 5.500 . 5.700 5.586 4.674 5.708 0.008 2 0 "[ . 1 . 2]" 1
668 1 25 GLY HA2 1 53 GLY H 4.750 . 4.950 4.401 3.776 4.779 . 0 0 "[ . 1 . 2]" 1
669 1 25 GLY HA3 1 53 GLY H 5.260 . 5.460 4.574 3.285 5.016 . 0 0 "[ . 1 . 2]" 1
670 1 25 GLY HA2 1 55 ALA H 5.210 . 5.410 3.837 3.336 4.309 . 0 0 "[ . 1 . 2]" 1
671 1 25 GLY HA3 1 55 ALA H 4.650 . 4.850 2.441 2.066 2.646 . 0 0 "[ . 1 . 2]" 1
672 1 25 GLY HA2 1 56 GLU H 5.500 . 5.700 5.490 5.081 5.716 0.016 14 0 "[ . 1 . 2]" 1
673 1 25 GLY HA3 1 56 GLU H 4.800 . 5.000 4.523 3.970 4.754 . 0 0 "[ . 1 . 2]" 1
674 1 26 ILE H 1 26 ILE MD 3.920 . 4.120 3.593 2.837 3.897 . 0 0 "[ . 1 . 2]" 1
675 1 26 ILE H 1 27 ALA H 4.570 . 4.770 4.444 4.417 4.495 . 0 0 "[ . 1 . 2]" 1
676 1 26 ILE H 1 27 ALA HA 5.500 . 5.700 4.821 4.750 4.941 . 0 0 "[ . 1 . 2]" 1
677 1 26 ILE H 1 49 VAL HA 5.500 . 5.700 5.214 5.042 5.348 . 0 0 "[ . 1 . 2]" 1
678 1 26 ILE H 1 50 LEU H 5.430 . 5.630 5.328 5.072 5.573 . 0 0 "[ . 1 . 2]" 1
679 1 26 ILE H 1 50 LEU HG 5.400 . 5.600 5.290 4.777 5.603 0.003 5 0 "[ . 1 . 2]" 1
680 1 26 ILE H 1 26 ILE MG 3.840 . 4.040 3.242 2.992 3.980 . 0 0 "[ . 1 . 2]" 1
681 1 26 ILE H 1 50 LEU MD2 4.060 . 4.260 3.589 3.327 3.957 . 0 0 "[ . 1 . 2]" 1
682 1 26 ILE H 1 55 ALA H 5.500 . 5.700 5.178 4.742 5.421 . 0 0 "[ . 1 . 2]" 1
683 1 26 ILE H 1 55 ALA MB 3.700 . 3.900 3.256 2.852 3.965 0.065 14 0 "[ . 1 . 2]" 1
684 1 26 ILE HA 1 48 ASP H 5.470 . 5.670 5.402 4.926 5.604 . 0 0 "[ . 1 . 2]" 1
685 1 26 ILE HA 1 49 VAL H 5.500 . 5.700 5.158 5.020 5.280 . 0 0 "[ . 1 . 2]" 1
686 1 26 ILE HA 1 50 LEU H 4.480 . 4.680 3.485 3.156 3.860 . 0 0 "[ . 1 . 2]" 1
687 1 28 ILE H 1 28 ILE MD 3.660 . 3.860 3.011 1.819 4.382 0.522 7 1 "[ . + 1 . 2]" 1
688 1 27 ALA H 1 28 ILE H 4.540 . 4.740 4.300 4.179 4.476 . 0 0 "[ . 1 . 2]" 1
689 1 26 ILE MD 1 27 ALA H 4.470 . 4.670 3.539 2.908 4.753 0.083 14 0 "[ . 1 . 2]" 1
690 1 27 ALA H 1 46 ILE HA 5.000 . 5.200 4.319 3.999 4.582 . 0 0 "[ . 1 . 2]" 1
691 1 27 ALA H 1 27 ALA MB 2.800 . 3.000 2.449 2.302 2.543 . 0 0 "[ . 1 . 2]" 1
692 1 27 ALA H 1 46 ILE MG 3.060 . 3.260 2.567 2.039 4.175 0.915 12 2 "[ - 1 + . 2]" 1
693 1 27 ALA H 1 47 SER H 4.390 . 4.590 4.165 3.909 4.395 . 0 0 "[ . 1 . 2]" 1
694 1 27 ALA H 1 47 SER QB 5.500 . 5.700 4.928 4.105 5.866 0.166 20 0 "[ . 1 . 2]" 1
695 1 27 ALA H 1 48 ASP H 3.330 . 3.530 3.409 3.095 3.537 0.007 20 0 "[ . 1 . 2]" 1
696 1 27 ALA H 1 49 VAL HA 4.690 . 4.890 3.379 3.086 3.839 . 0 0 "[ . 1 . 2]" 1
697 1 27 ALA H 1 50 LEU H 5.500 . 5.700 5.182 4.775 5.675 . 0 0 "[ . 1 . 2]" 1
698 1 26 ILE MG 1 27 ALA H 3.250 . 3.450 3.415 1.875 3.685 0.235 5 0 "[ . 1 . 2]" 1
699 1 27 ALA MB 1 28 ILE H 3.270 . 3.470 3.186 2.813 3.277 . 0 0 "[ . 1 . 2]" 1
700 1 28 ILE H 1 29 SER H 4.800 . 5.000 4.592 4.542 4.627 . 0 0 "[ . 1 . 2]" 1
701 1 28 ILE H 1 46 ILE HA 5.480 . 5.680 4.919 4.724 5.430 . 0 0 "[ . 1 . 2]" 1
702 1 28 ILE H 1 47 SER H 5.010 . 5.210 4.719 4.319 4.969 . 0 0 "[ . 1 . 2]" 1
703 1 28 ILE H 1 48 ASP H 5.500 . 5.700 5.596 5.115 5.708 0.008 8 0 "[ . 1 . 2]" 1
704 1 28 ILE HA 1 45 VAL H 4.980 . 5.180 4.831 4.421 5.186 0.006 16 0 "[ . 1 . 2]" 1
705 1 28 ILE HA 1 46 ILE H 5.500 . 5.700 5.002 4.576 5.700 . 16 0 "[ . 1 . 2]" 1
706 1 28 ILE HA 1 47 SER H 3.800 . 4.000 3.362 2.993 3.888 . 0 0 "[ . 1 . 2]" 1
707 1 28 ILE MG 1 30 GLY H 4.280 . 4.480 6.009 4.298 6.839 2.359 5 15 "[****+* **1*** . -***]" 1
708 1 28 ILE MG 1 81 ALA H 4.390 . 4.590 5.824 4.111 6.964 2.374 13 16 "[******-**1**+ . ****]" 1
709 1 28 ILE MG 1 29 SER H 3.010 . 3.210 3.418 2.098 4.001 0.791 8 8 "[ * . *+ 1- * . ***2]" 1
710 1 28 ILE MG 1 82 VAL H 3.770 . 3.970 4.716 3.520 5.944 1.974 12 11 "[ ***.* **1*+* . *-]" 1
711 1 28 ILE MD 1 29 SER H 3.930 . 4.130 4.198 3.106 5.096 0.966 14 7 "[ * .* * +* *-]" 1
712 1 28 ILE MD 1 45 VAL H 5.190 . 5.390 6.123 4.873 7.408 2.018 15 11 "[*-* .* * * **+ **]" 1
713 1 29 SER H 1 30 GLY H 4.830 . 5.030 4.290 4.193 4.411 . 0 0 "[ . 1 . 2]" 1
714 1 29 SER H 1 44 ILE HA 5.500 . 5.700 4.415 3.853 5.142 . 0 0 "[ . 1 . 2]" 1
715 1 29 SER H 1 45 VAL H 3.440 . 3.640 3.005 2.585 3.374 . 0 0 "[ . 1 . 2]" 1
716 1 29 SER H 1 45 VAL HA 5.500 . 5.700 4.604 4.330 4.986 . 0 0 "[ . 1 . 2]" 1
717 1 29 SER H 1 46 ILE H 5.500 . 5.700 4.919 4.698 5.069 . 0 0 "[ . 1 . 2]" 1
718 1 29 SER H 1 46 ILE HA 5.500 . 5.700 3.557 2.938 3.815 . 0 0 "[ . 1 . 2]" 1
719 1 29 SER H 1 47 SER H 3.790 . 3.990 3.749 3.240 3.995 0.005 13 0 "[ . 1 . 2]" 1
720 1 29 SER H 1 47 SER QB 5.500 . 5.700 4.301 3.781 4.904 . 0 0 "[ . 1 . 2]" 1
721 1 28 ILE HG13 1 29 SER H 5.500 . 5.700 4.296 2.390 5.250 . 0 0 "[ . 1 . 2]" 1
722 1 29 SER H 1 46 ILE QG 5.500 . 5.700 5.236 4.406 6.126 0.426 5 0 "[ . 1 . 2]" 1
723 1 29 SER H 1 81 ALA MB 5.500 . 5.700 5.620 5.203 6.335 0.635 3 1 "[ + . 1 . 2]" 1
724 1 28 ILE HG12 1 29 SER H 5.500 . 5.700 4.564 2.804 5.265 . 0 0 "[ . 1 . 2]" 1
725 1 29 SER H 1 44 ILE MG 3.650 . 3.850 2.827 2.021 4.394 0.544 5 1 "[ + 1 . 2]" 1
726 1 29 SER HB2 1 30 GLY H 5.500 . 5.700 4.368 4.230 4.421 . 0 0 "[ . 1 . 2]" 1
727 1 29 SER HB2 1 46 ILE H 5.500 . 5.700 5.431 4.969 5.706 0.006 20 0 "[ . 1 . 2]" 1
728 1 29 SER HB3 1 46 ILE H 5.500 . 5.700 5.598 4.973 5.708 0.008 13 0 "[ . 1 . 2]" 1
729 1 30 GLY H 1 31 GLY QA 5.500 . 5.700 4.481 4.237 4.600 . 0 0 "[ . 1 . 2]" 1
730 1 30 GLY H 1 44 ILE MG 4.660 . 4.860 4.690 3.528 7.075 2.215 5 5 "[ * *+* 1 - . 2]" 1
731 1 30 GLY H 1 44 ILE MD 5.010 . 5.210 4.778 2.892 6.418 1.208 14 7 "[* - . * 1* +* * 2]" 1
732 1 30 GLY H 1 78 HIS H 5.500 . 5.700 5.549 5.092 5.714 0.014 14 0 "[ . 1 . 2]" 1
733 1 30 GLY H 1 47 SER QB 5.500 . 5.700 5.587 5.040 6.460 0.760 13 1 "[ . 1 + . 2]" 1
734 1 30 GLY H 1 78 HIS HA 5.500 . 5.700 5.014 4.529 5.608 . 0 0 "[ . 1 . 2]" 1
735 1 30 GLY H 1 78 HIS QB 5.500 . 5.700 3.466 2.952 4.226 . 0 0 "[ . 1 . 2]" 1
736 1 31 GLY H 1 32 ARG H 4.240 . 4.440 3.516 2.979 3.943 . 0 0 "[ . 1 . 2]" 1
737 1 31 GLY H 1 32 ARG HA 5.090 . 5.290 4.547 4.311 5.064 . 0 0 "[ . 1 . 2]" 1
738 1 31 GLY H 1 32 ARG QB 5.500 . 5.700 4.821 4.265 5.268 . 0 0 "[ . 1 . 2]" 1
739 1 31 GLY H 1 33 ASP H 5.500 . 5.700 5.437 5.201 5.701 0.001 1 0 "[ . 1 . 2]" 1
740 1 31 GLY H 1 34 ASN QB 5.220 . 5.420 5.031 4.130 7.933 2.513 7 2 "[ . + 1 . -]" 1
741 1 31 GLY H 1 77 GLU HA 5.500 . 5.700 4.465 4.252 4.647 . 0 0 "[ . 1 . 2]" 1
742 1 31 GLY H 1 44 ILE H 5.500 . 5.700 5.342 4.853 5.703 0.003 9 0 "[ . 1 . 2]" 1
743 1 31 GLY H 1 44 ILE QG 5.500 . 5.700 3.612 2.216 5.156 . 0 0 "[ . 1 . 2]" 1
744 1 31 GLY H 1 44 ILE MG 4.500 . 4.700 4.452 3.260 5.919 1.219 2 4 "[ + -* 1 * . 2]" 1
745 1 31 GLY H 1 44 ILE MD 3.510 . 3.710 3.157 1.944 4.453 0.743 7 2 "[ . + 1 - 2]" 1
746 1 31 GLY H 1 76 VAL QG 5.500 . 5.700 4.961 4.286 6.217 0.517 16 1 "[ . 1 .+ 2]" 1
747 1 30 GLY H 1 31 GLY H 4.710 . 4.910 4.320 3.781 4.477 . 0 0 "[ . 1 . 2]" 1
748 1 31 GLY H 1 78 HIS H 5.420 . 5.620 4.474 3.988 4.849 . 0 0 "[ . 1 . 2]" 1
749 1 31 GLY H 1 78 HIS HA 5.440 . 5.640 4.849 4.257 5.474 . 0 0 "[ . 1 . 2]" 1
750 1 31 GLY QA 1 33 ASP H 5.210 . 5.410 3.298 3.110 3.467 . 0 0 "[ . 1 . 2]" 1
751 1 31 GLY QA 1 76 VAL H 5.080 . 5.280 4.561 4.328 4.824 . 0 0 "[ . 1 . 2]" 1
752 1 31 GLY QA 1 77 GLU H . . 5.360 4.266 4.072 4.431 . 0 0 "[ . 1 . 2]" 1
753 1 31 GLY QA 1 78 HIS H . . 4.870 2.131 1.936 2.354 . 0 0 "[ . 1 . 2]" 1
754 1 31 GLY QA 1 79 ALA H 5.440 . 5.640 4.581 4.320 4.825 . 0 0 "[ . 1 . 2]" 1
755 1 32 ARG H 1 32 ARG QG 3.650 . 3.850 2.908 2.165 4.021 0.171 13 0 "[ . 1 . 2]" 1
756 1 32 ARG H 1 32 ARG QD 4.470 . 4.670 4.161 3.874 4.424 . 0 0 "[ . 1 . 2]" 1
757 1 32 ARG H 1 33 ASP H 3.380 . 3.580 2.537 2.507 2.609 . 0 0 "[ . 1 . 2]" 1
758 1 32 ARG H 1 34 ASN QB 5.390 . 5.590 4.989 4.282 6.865 1.275 7 2 "[ . + 1 . -]" 1
759 1 32 ARG H 1 34 ASN H 4.720 . 4.920 4.328 3.849 4.613 . 0 0 "[ . 1 . 2]" 1
760 1 46 ILE MD 1 60 GLN H 3.370 . 3.570 3.411 2.176 5.038 1.468 11 8 "[ * ** * 1+* *- 2]" 1
761 1 32 ARG H 1 75 ASN HA 5.500 . 5.700 4.548 4.197 5.148 . 0 0 "[ . 1 . 2]" 1
762 1 32 ARG H 1 76 VAL H 3.780 . 3.980 3.411 2.906 3.737 . 0 0 "[ . 1 . 2]" 1
763 1 32 ARG H 1 76 VAL HA 4.510 . 4.710 3.984 3.846 4.199 . 0 0 "[ . 1 . 2]" 1
764 1 32 ARG H 1 76 VAL QG 4.620 . 4.820 4.025 3.767 4.404 . 0 0 "[ . 1 . 2]" 1
765 1 32 ARG H 1 77 GLU H 3.870 . 4.070 3.836 3.672 4.108 0.038 7 0 "[ . 1 . 2]" 1
766 1 32 ARG H 1 78 HIS H 4.180 . 4.380 4.159 3.814 4.396 0.016 20 0 "[ . 1 . 2]" 1
767 1 32 ARG HA 1 34 ASN H 5.500 . 5.700 3.778 3.554 4.192 . 0 0 "[ . 1 . 2]" 1
768 1 32 ARG HA 1 76 VAL H 5.210 . 5.410 4.918 4.531 5.322 . 0 0 "[ . 1 . 2]" 1
769 1 32 ARG QB 1 33 ASP H 4.110 . 4.310 3.286 2.574 3.593 . 0 0 "[ . 1 . 2]" 1
770 1 32 ARG QB 1 34 ASN H 5.500 . 5.700 4.810 4.612 5.056 . 0 0 "[ . 1 . 2]" 1
771 1 32 ARG QB 1 75 ASN H 4.550 . 4.750 3.982 3.514 4.404 . 0 0 "[ . 1 . 2]" 1
772 1 32 ARG QB 1 76 VAL H 4.130 . 4.330 2.673 2.324 2.939 . 0 0 "[ . 1 . 2]" 1
773 1 32 ARG QB 1 77 GLU H 4.720 . 4.920 4.388 3.575 4.695 . 0 0 "[ . 1 . 2]" 1
774 1 32 ARG QG 1 33 ASP H 3.680 . 3.880 2.742 1.958 4.475 0.595 4 1 "[ +. 1 . 2]" 1
775 1 32 ARG QG 1 34 ASN H 5.500 . 5.700 4.630 4.262 5.312 . 0 0 "[ . 1 . 2]" 1
776 1 32 ARG QG 1 75 ASN H 5.500 . 5.700 4.698 4.475 5.122 . 0 0 "[ . 1 . 2]" 1
777 1 32 ARG QG 1 76 VAL H 4.300 . 4.500 3.480 2.940 4.484 . 0 0 "[ . 1 . 2]" 1
778 1 32 ARG QG 1 77 GLU H 4.340 . 4.540 3.855 2.669 6.291 1.751 4 6 "[ +. ** 1 -* . *]" 1
779 1 32 ARG QD 1 33 ASP H 5.500 . 5.700 3.762 2.528 5.195 . 0 0 "[ . 1 . 2]" 1
780 1 32 ARG QD 1 34 ASN H 5.500 . 5.700 5.215 4.453 6.303 0.603 3 1 "[ + . 1 . 2]" 1
781 1 32 ARG QD 1 76 VAL H 5.170 . 5.370 4.689 3.990 5.362 . 0 0 "[ . 1 . 2]" 1
782 1 32 ARG QD 1 77 GLU H 4.790 . 4.990 4.955 4.008 7.174 2.184 20 4 "[ .-* 1 * . +]" 1
783 1 33 ASP H 1 34 ASN H 2.950 . 3.150 2.828 2.323 3.078 . 0 0 "[ . 1 . 2]" 1
784 1 33 ASP H 1 34 ASN QB 4.650 . 4.850 4.262 3.926 5.027 0.177 7 0 "[ . 1 . 2]" 1
785 1 33 ASP H 1 76 VAL HA 5.490 . 5.690 4.742 3.965 5.230 . 0 0 "[ . 1 . 2]" 1
786 1 33 ASP H 1 77 GLU H 4.930 . 5.130 3.955 3.162 4.575 . 0 0 "[ . 1 . 2]" 1
787 1 33 ASP H 1 77 GLU HA 4.550 . 4.750 2.561 2.186 2.956 . 0 0 "[ . 1 . 2]" 1
788 1 33 ASP H 1 77 GLU QB 4.280 . 4.480 2.957 2.249 3.790 . 0 0 "[ . 1 . 2]" 1
789 1 33 ASP H 1 77 GLU QG 4.480 . 4.680 3.291 2.042 4.782 0.102 1 0 "[ . 1 . 2]" 1
790 1 33 ASP H 1 78 HIS H 4.490 . 4.690 4.441 4.109 4.698 0.008 16 0 "[ . 1 . 2]" 1
791 1 33 ASP HB2 1 34 ASN H 5.500 . 5.700 4.311 3.138 4.526 . 0 0 "[ . 1 . 2]" 1
792 1 33 ASP HB3 1 34 ASN H 5.500 . 5.700 4.053 2.884 4.513 . 0 0 "[ . 1 . 2]" 1
793 1 33 ASP HB2 1 77 GLU H 5.500 . 5.700 4.121 2.874 5.516 . 0 0 "[ . 1 . 2]" 1
794 1 33 ASP HB3 1 77 GLU H 5.500 . 5.700 5.120 4.013 5.702 0.002 18 0 "[ . 1 . 2]" 1
795 1 34 ASN H 1 77 GLU QB 5.500 . 5.700 4.895 3.347 5.975 0.275 18 0 "[ . 1 . 2]" 1
796 1 40 GLY H 1 41 GLU H 3.440 . 3.640 2.207 1.924 2.468 . 0 0 "[ . 1 . 2]" 1
797 1 40 GLY H 1 41 GLU HB3 5.440 . 5.640 5.469 5.315 5.672 0.032 1 0 "[ . 1 . 2]" 1
798 1 40 GLY H 1 41 GLU HG2 5.500 . 5.700 4.491 3.935 5.526 . 0 0 "[ . 1 . 2]" 1
799 1 40 GLY H 1 41 GLU HG3 5.500 . 5.700 5.331 4.140 5.708 0.008 1 0 "[ . 1 . 2]" 1
800 1 40 GLY H 1 42 THR H 5.390 . 5.590 3.743 3.190 4.240 . 0 0 "[ . 1 . 2]" 1
801 1 40 GLY H 1 42 THR HA 5.500 . 5.700 5.613 5.275 5.713 0.013 16 0 "[ . 1 . 2]" 1
802 1 41 GLU H 1 41 GLU HG2 4.340 . 4.540 2.800 2.263 4.021 . 0 0 "[ . 1 . 2]" 1
803 1 41 GLU H 1 41 GLU HG3 4.340 . 4.540 3.385 2.335 4.262 . 0 0 "[ . 1 . 2]" 1
804 1 41 GLU H 1 42 THR H 4.250 . 4.450 2.261 1.987 2.576 . 0 0 "[ . 1 . 2]" 1
805 1 41 GLU H 1 42 THR MG 5.070 . 5.270 3.432 2.462 4.600 . 0 0 "[ . 1 . 2]" 1
806 1 41 GLU H 1 43 SER H 5.040 . 5.240 4.665 4.288 5.235 . 0 0 "[ . 1 . 2]" 1
807 1 41 GLU HA 1 43 SER H 4.800 . 5.000 3.672 2.999 4.537 . 0 0 "[ . 1 . 2]" 1
808 1 41 GLU HB3 1 42 THR H 5.500 . 5.700 4.202 2.653 4.652 . 0 0 "[ . 1 . 2]" 1
809 1 41 GLU HB2 1 42 THR H 4.600 . 4.800 3.818 2.115 4.483 . 0 0 "[ . 1 . 2]" 1
810 1 41 GLU HB2 1 43 SER H 4.550 . 4.750 3.764 2.405 4.759 0.009 15 0 "[ . 1 . 2]" 1
811 1 41 GLU HG2 1 42 THR H 4.230 . 4.430 3.901 2.401 4.455 0.025 1 0 "[ . 1 . 2]" 1
812 1 41 GLU HG3 1 42 THR H 4.230 . 4.430 3.629 1.954 4.440 0.010 11 0 "[ . 1 . 2]" 1
813 1 42 THR H 1 43 SER H 3.720 . 3.920 2.842 2.532 3.916 . 0 0 "[ . 1 . 2]" 1
814 1 42 THR MG 1 43 SER H 4.270 . 4.470 4.223 3.032 4.468 . 0 0 "[ . 1 . 2]" 1
815 1 42 THR MG 1 75 ASN H 5.180 . 5.380 6.340 4.652 7.833 2.453 11 14 "[ * * ** 1+****-****]" 1
816 1 42 THR MG 1 76 VAL H 4.470 . 4.670 6.303 4.344 7.831 3.161 11 18 "[-** *****1+*********]" 1
817 1 43 SER H 1 44 ILE H 4.550 . 4.750 4.493 4.356 4.626 . 0 0 "[ . 1 . 2]" 1
818 1 43 SER H 1 44 ILE QG 5.500 . 5.700 5.980 4.916 7.436 1.736 4 7 "[ * +** 1 **-. 2]" 1
819 1 43 SER H 1 74 ASP HA 4.960 . 5.160 4.490 3.852 5.055 . 0 0 "[ . 1 . 2]" 1
820 1 44 ILE H 1 44 ILE QG 3.790 . 3.990 2.826 1.991 4.069 0.079 5 0 "[ . 1 . 2]" 1
821 1 44 ILE H 1 44 ILE MG 3.850 . 4.050 3.393 2.109 3.862 . 0 0 "[ . 1 . 2]" 1
822 1 44 ILE H 1 45 VAL H 4.890 . 5.090 4.559 4.238 4.622 . 0 0 "[ . 1 . 2]" 1
823 1 44 ILE H 1 45 VAL HA 5.500 . 5.700 5.333 4.963 5.463 . 0 0 "[ . 1 . 2]" 1
824 1 44 ILE H 1 65 VAL H 5.500 . 5.700 5.492 5.034 5.707 0.007 4 0 "[ . 1 . 2]" 1
825 1 44 ILE H 1 44 ILE MD 3.610 . 3.810 3.296 1.928 4.244 0.434 4 0 "[ . 1 . 2]" 1
826 1 44 ILE H 1 65 VAL QG 3.790 . 3.990 4.119 3.114 4.665 0.675 11 5 "[* . 1+ *-. *2]" 1
827 1 44 ILE H 1 73 MET H 5.500 . 5.700 5.559 5.273 5.704 0.004 13 0 "[ . 1 . 2]" 1
828 1 44 ILE H 1 73 MET HA 5.500 . 5.700 4.427 4.035 4.805 . 0 0 "[ . 1 . 2]" 1
829 1 44 ILE H 1 73 MET HB3 4.110 . 4.310 2.902 2.534 3.346 . 0 0 "[ . 1 . 2]" 1
830 1 44 ILE H 1 73 MET HB2 4.140 . 4.340 4.201 3.517 4.352 0.012 6 0 "[ . 1 . 2]" 1
831 1 44 ILE H 1 73 MET QG 5.500 . 5.700 4.839 4.080 5.402 . 0 0 "[ . 1 . 2]" 1
832 1 44 ILE H 1 74 ASP H 5.500 . 5.700 5.072 4.935 5.148 . 0 0 "[ . 1 . 2]" 1
833 1 44 ILE H 1 74 ASP HA 4.110 . 4.310 3.465 3.086 3.756 . 0 0 "[ . 1 . 2]" 1
834 1 44 ILE H 1 75 ASN H 5.310 . 5.510 5.027 4.678 5.286 . 0 0 "[ . 1 . 2]" 1
835 1 44 ILE H 1 76 VAL H 5.500 . 5.700 5.348 4.792 5.700 . 0 0 "[ . 1 . 2]" 1
836 1 44 ILE H 1 76 VAL QG 4.390 . 4.590 4.520 3.917 5.678 1.088 16 1 "[ . 1 .+ 2]" 1
837 1 44 ILE QG 1 45 VAL H 5.180 . 5.380 3.700 1.961 4.624 . 0 0 "[ . 1 . 2]" 1
838 1 44 ILE MG 1 45 VAL H 2.900 . 3.100 2.598 1.968 3.764 0.664 4 4 "[ * +-* 1 . 2]" 1
839 1 44 ILE QG 1 73 MET H 5.500 . 5.700 6.087 4.820 7.733 2.033 4 9 "[ *-+** 1** *. * 2]" 1
840 1 73 MET H 1 76 VAL QG 4.880 . 5.080 4.064 3.868 4.304 . 0 0 "[ . 1 . 2]" 1
841 1 44 ILE QG 1 74 ASP H 5.180 . 5.380 5.759 4.463 7.901 2.521 6 7 "[ * **+ 1 * -. * 2]" 1
842 1 74 ASP H 1 76 VAL QG 4.290 . 4.490 3.334 3.204 3.506 . 0 0 "[ . 1 . 2]" 1
843 1 44 ILE QG 1 75 ASN H 5.470 . 5.670 5.171 3.863 7.598 1.928 6 5 "[ * *-+ 1 * . 2]" 1
844 1 75 ASN H 1 76 VAL QG . . 4.210 2.505 2.398 2.630 . 0 0 "[ . 1 . 2]" 1
845 1 44 ILE QG 1 76 VAL H 5.500 . 5.700 4.615 3.417 7.133 1.433 6 5 "[ * *-+ 1 * . 2]" 1
846 1 76 VAL H 1 76 VAL QG . . 2.730 2.099 1.943 2.575 . 0 0 "[ . 1 . 2]" 1
847 1 44 ILE QG 1 77 GLU H 5.500 . 5.700 6.561 5.466 8.590 2.890 12 7 "[ * *** * 1 + . -2]" 1
848 1 76 VAL QG 1 77 GLU H . . 3.760 3.242 2.082 3.396 . 0 0 "[ . 1 . 2]" 1
849 1 44 ILE MD 1 75 ASN H 5.150 . 5.350 4.570 2.836 6.597 1.247 6 5 "[ * **+ 1 - . 2]" 1
850 1 44 ILE MD 1 76 VAL H 4.130 . 4.330 3.707 2.120 5.723 1.393 6 4 "[ * *.+ 1 - . 2]" 1
851 1 44 ILE MD 1 77 GLU H 4.900 . 5.100 5.272 4.673 6.447 1.347 6 5 "[ * *-+ 1 * . 2]" 1
852 1 44 ILE MD 1 78 HIS H 4.330 . 4.530 4.594 3.506 5.808 1.278 14 5 "[ . - 1* *+. * 2]" 1
853 1 45 VAL H 1 46 ILE H 4.630 . 4.830 4.449 4.416 4.485 . 0 0 "[ . 1 . 2]" 1
854 1 45 VAL H 1 46 ILE HA 5.500 . 5.700 4.964 4.860 5.113 . 0 0 "[ . 1 . 2]" 1
855 1 45 VAL H 1 47 SER H 5.500 . 5.700 5.653 5.399 5.708 0.008 15 0 "[ . 1 . 2]" 1
856 1 29 SER HA 1 45 VAL H 5.500 . 5.700 4.810 4.523 4.986 . 0 0 "[ . 1 . 2]" 1
857 1 45 VAL H 1 65 VAL H 5.500 . 5.700 5.604 5.243 5.721 0.021 4 0 "[ . 1 . 2]" 1
858 1 45 VAL MG1 1 46 ILE H 3.230 . 3.430 2.962 1.884 3.629 0.199 5 0 "[ . 1 . 2]" 1
859 1 46 ILE MD 1 65 VAL H 4.110 . 4.310 4.309 3.219 7.270 2.960 5 4 "[ + 1** - 2]" 1
860 1 46 ILE H 1 46 ILE QG 3.200 . 3.400 2.355 1.981 2.720 . 0 0 "[ . 1 . 2]" 1
861 1 46 ILE H 1 46 ILE MD 2.880 . 3.080 2.592 1.935 3.754 0.674 5 2 "[ + 1 - . 2]" 1
862 1 46 ILE H 1 47 SER H 4.560 . 4.760 4.448 4.369 4.502 . 0 0 "[ . 1 . 2]" 1
863 1 46 ILE H 1 47 SER HA 5.500 . 5.700 5.308 5.220 5.370 . 0 0 "[ . 1 . 2]" 1
864 1 46 ILE H 1 60 GLN HA 5.300 . 5.500 5.064 4.769 5.502 0.002 9 0 "[ . 1 . 2]" 1
865 1 46 ILE H 1 61 GLU H 4.930 . 5.130 5.084 4.850 5.142 0.012 12 0 "[ . 1 . 2]" 1
866 1 46 ILE H 1 61 GLU HA 5.500 . 5.700 3.446 2.971 3.788 . 0 0 "[ . 1 . 2]" 1
867 1 46 ILE H 1 61 GLU QB 4.920 . 5.120 5.117 4.511 5.621 0.501 18 2 "[- . 1 . + 2]" 1
868 1 46 ILE H 1 64 ARG HA 5.500 . 5.700 4.774 4.336 5.159 . 0 0 "[ . 1 . 2]" 1
869 1 46 ILE H 1 65 VAL H 4.580 . 4.780 4.585 4.242 4.792 0.012 5 0 "[ . 1 . 2]" 1
870 1 45 VAL MG2 1 46 ILE H 3.230 . 3.430 3.141 1.878 3.908 0.478 14 0 "[ . 1 . 2]" 1
871 1 46 ILE HA 1 48 ASP H 4.300 . 4.500 4.331 4.012 4.505 0.005 9 0 "[ . 1 . 2]" 1
872 1 46 ILE MG 1 49 VAL H 4.300 . 4.500 4.486 4.076 6.641 2.141 12 2 "[ - 1 + . 2]" 1
873 1 27 ALA MB 1 47 SER H 3.560 . 3.760 3.280 3.058 3.651 . 0 0 "[ . 1 . 2]" 1
874 1 46 ILE MG 1 47 SER H 3.100 . 3.300 2.909 2.551 4.067 0.767 5 2 "[ + 1 - . 2]" 1
875 1 27 ALA MB 1 48 ASP H 2.780 . 2.980 2.071 1.941 2.432 . 0 0 "[ . 1 . 2]" 1
876 1 46 ILE MG 1 48 ASP H 2.730 . 2.930 3.229 2.661 5.265 2.335 12 2 "[ - 1 + . 2]" 1
877 1 46 ILE QG 1 61 GLU H 5.500 . 5.700 4.674 2.617 5.618 . 0 0 "[ . 1 . 2]" 1
878 1 65 VAL H 1 65 VAL QG 3.220 . 3.420 2.054 1.848 2.333 . 0 0 "[ . 1 . 2]" 1
879 1 46 ILE MG 1 61 GLU H 3.200 . 3.400 4.056 3.425 4.570 1.170 5 14 "[** *+- * **** * ***2]" 1
880 1 47 SER H 1 48 ASP H 2.930 . 3.130 2.727 2.415 2.961 . 0 0 "[ . 1 . 2]" 1
881 1 27 ALA HA 1 47 SER H 5.500 . 5.700 4.993 4.794 5.180 . 0 0 "[ . 1 . 2]" 1
882 1 47 SER H 1 48 ASP HA 5.500 . 5.700 5.034 4.904 5.156 . 0 0 "[ . 1 . 2]" 1
883 1 47 SER H 1 61 GLU QB 5.450 . 5.650 6.753 5.633 7.695 2.045 12 17 "[********** +-*** **2]" 1
884 1 47 SER QB 1 48 ASP H 4.590 . 4.790 2.390 2.063 2.949 . 0 0 "[ . 1 . 2]" 1
885 1 48 ASP H 1 49 VAL H 4.350 . 4.550 4.374 4.294 4.436 . 0 0 "[ . 1 . 2]" 1
886 1 48 ASP H 1 49 VAL HA 4.830 . 5.030 4.706 4.582 4.825 . 0 0 "[ . 1 . 2]" 1
887 1 48 ASP HB3 1 49 VAL H 3.900 . 4.100 2.828 2.667 3.176 . 0 0 "[ . 1 . 2]" 1
888 1 48 ASP HB2 1 49 VAL H 4.090 . 4.290 4.080 3.948 4.180 . 0 0 "[ . 1 . 2]" 1
889 1 48 ASP HB3 1 50 LEU H 5.500 . 5.700 5.481 5.268 5.704 0.004 12 0 "[ . 1 . 2]" 1
890 1 49 VAL H 1 49 VAL QG . . 3.150 2.070 1.931 2.219 . 0 0 "[ . 1 . 2]" 1
891 1 49 VAL H 1 50 LEU H 4.690 . 4.890 4.417 4.334 4.460 . 0 0 "[ . 1 . 2]" 1
892 1 49 VAL H 1 50 LEU HA 5.500 . 5.700 4.985 4.898 5.119 . 0 0 "[ . 1 . 2]" 1
893 1 49 VAL H 1 51 LYS H 5.320 . 5.520 5.159 4.892 5.435 . 0 0 "[ . 1 . 2]" 1
894 1 49 VAL H 1 51 LYS QD 4.780 . 4.980 6.080 3.771 7.990 3.010 16 15 "[*** *** *1*- **+** *]" 1
895 1 49 VAL H 1 51 LYS QE 5.500 . 5.700 6.856 4.663 8.688 2.988 2 16 "[*+* -****** **** * *]" 1
896 1 49 VAL HA 1 51 LYS H 4.120 . 4.320 3.921 3.748 4.116 . 0 0 "[ . 1 . 2]" 1
897 1 16 LEU QD 1 55 ALA H 3.690 . 3.890 3.610 3.362 3.995 0.105 18 0 "[ . 1 . 2]" 1
898 1 49 VAL QG 1 50 LEU H . . 3.480 3.374 3.239 3.468 . 0 0 "[ . 1 . 2]" 1
899 1 16 LEU QD 1 59 LEU H 3.970 . 4.170 4.119 3.930 4.453 0.283 2 0 "[ . 1 . 2]" 1
900 1 49 VAL QG 1 59 LEU H . . 4.160 3.857 3.420 4.336 0.176 12 0 "[ . 1 . 2]" 1
901 1 50 LEU H 1 50 LEU HG 3.060 . 3.260 1.969 1.891 2.064 . 0 0 "[ . 1 . 2]" 1
902 1 50 LEU H 1 50 LEU MD1 3.710 . 3.910 3.625 3.587 3.659 . 0 0 "[ . 1 . 2]" 1
903 1 50 LEU H 1 50 LEU MD2 3.130 . 3.330 2.215 2.003 2.440 . 0 0 "[ . 1 . 2]" 1
904 1 50 LEU H 1 51 LYS H 3.840 . 4.040 2.550 2.353 2.699 . 0 0 "[ . 1 . 2]" 1
905 1 50 LEU H 1 51 LYS HA 5.100 . 5.300 4.811 4.610 4.964 . 0 0 "[ . 1 . 2]" 1
906 1 50 LEU H 1 51 LYS QB 5.420 . 5.620 4.869 4.652 5.164 . 0 0 "[ . 1 . 2]" 1
907 1 50 LEU H 1 50 LEU HB2 3.620 . 3.820 3.557 3.544 3.574 . 0 0 "[ . 1 . 2]" 1
908 1 50 LEU H 1 51 LYS QE 5.500 . 5.700 7.390 6.205 8.567 2.867 11 20 [**********+-********] 1
909 1 50 LEU H 1 52 GLY H 5.270 . 5.470 4.285 4.218 4.363 . 0 0 "[ . 1 . 2]" 1
910 1 50 LEU H 1 53 GLY H 5.250 . 5.450 5.431 5.363 5.464 0.014 20 0 "[ . 1 . 2]" 1
911 1 50 LEU H 1 56 GLU HA 5.500 . 5.700 4.680 4.353 4.812 . 0 0 "[ . 1 . 2]" 1
912 1 50 LEU HA 1 52 GLY H 4.750 . 4.950 4.590 4.463 4.631 . 0 0 "[ . 1 . 2]" 1
913 1 50 LEU HB3 1 52 GLY H 4.540 . 4.740 4.525 4.409 4.642 . 0 0 "[ . 1 . 2]" 1
914 1 50 LEU HB2 1 53 GLY H 4.610 . 4.810 4.797 4.540 4.818 0.008 1 0 "[ . 1 . 2]" 1
915 1 50 LEU HG 1 51 LYS H 3.020 . 3.220 2.338 2.160 2.644 . 0 0 "[ . 1 . 2]" 1
916 1 50 LEU HG 1 52 GLY H 3.490 . 3.690 2.763 2.628 2.962 . 0 0 "[ . 1 . 2]" 1
917 1 50 LEU HG 1 53 GLY H 4.370 . 4.570 3.646 3.540 3.830 . 0 0 "[ . 1 . 2]" 1
918 1 50 LEU MD1 1 53 GLY H 4.880 . 5.080 2.260 1.998 2.401 . 0 0 "[ . 1 . 2]" 1
919 1 50 LEU MD2 1 53 GLY H 4.780 . 4.980 4.546 4.441 4.732 . 0 0 "[ . 1 . 2]" 1
920 1 50 LEU MD1 1 51 LYS H 4.080 . 4.280 3.407 3.258 3.655 . 0 0 "[ . 1 . 2]" 1
921 1 50 LEU MD1 1 52 GLY H 5.500 . 5.700 1.964 1.892 2.076 . 0 0 "[ . 1 . 2]" 1
922 1 50 LEU MD2 1 52 GLY H 5.500 . 5.700 4.152 4.067 4.310 . 0 0 "[ . 1 . 2]" 1
923 1 50 LEU HB2 1 51 LYS H 4.020 . 4.220 3.730 3.648 3.952 . 0 0 "[ . 1 . 2]" 1
924 1 51 LYS H 1 51 LYS QG 4.360 . 4.560 3.600 2.700 4.289 . 0 0 "[ . 1 . 2]" 1
925 1 51 LYS H 1 51 LYS QE 5.480 . 5.680 5.607 4.916 6.321 0.641 11 1 "[ . 1+ . 2]" 1
926 1 51 LYS H 1 52 GLY H 3.760 . 3.960 2.608 2.544 2.885 . 0 0 "[ . 1 . 2]" 1
927 1 51 LYS H 1 53 GLY H 4.310 . 4.510 3.922 3.817 4.335 . 0 0 "[ . 1 . 2]" 1
928 1 51 LYS H 1 56 GLU H 5.100 . 5.300 5.257 5.126 5.312 0.012 3 0 "[ . 1 . 2]" 1
929 1 51 LYS H 1 56 GLU HA 3.950 . 4.150 2.685 2.484 2.798 . 0 0 "[ . 1 . 2]" 1
930 1 49 VAL HB 1 51 LYS H 4.160 . 4.360 2.585 2.421 2.648 . 0 0 "[ . 1 . 2]" 1
931 1 51 LYS H 1 56 GLU QG 5.500 . 5.700 5.512 5.350 5.681 . 0 0 "[ . 1 . 2]" 1
932 1 51 LYS HA 1 53 GLY H 3.940 . 4.140 3.787 3.743 3.824 . 0 0 "[ . 1 . 2]" 1
933 1 51 LYS HA 1 56 GLU H 4.530 . 4.730 4.552 4.455 4.658 . 0 0 "[ . 1 . 2]" 1
934 1 51 LYS QB 1 52 GLY H 3.940 . 4.140 3.808 3.762 4.054 . 0 0 "[ . 1 . 2]" 1
935 1 50 LEU HB2 1 52 GLY H 3.620 . 3.820 3.213 3.025 3.325 . 0 0 "[ . 1 . 2]" 1
936 1 52 GLY H 1 53 GLY H 2.820 . 3.020 1.973 1.955 2.000 . 0 0 "[ . 1 . 2]" 1
937 1 52 GLY H 1 55 ALA H 5.500 . 5.700 5.634 5.394 5.703 0.003 15 0 "[ . 1 . 2]" 1
938 1 52 GLY H 1 56 GLU H 4.580 . 4.780 4.766 4.560 4.791 0.011 4 0 "[ . 1 . 2]" 1
939 1 52 GLY H 1 56 GLU HA 3.670 . 3.870 3.191 2.902 3.382 . 0 0 "[ . 1 . 2]" 1
940 1 52 GLY H 1 56 GLU QB . . 4.060 2.788 2.606 2.948 . 0 0 "[ . 1 . 2]" 1
941 1 53 GLY H 1 55 ALA H 4.050 . 4.250 4.094 3.959 4.203 . 0 0 "[ . 1 . 2]" 1
942 1 53 GLY H 1 55 ALA MB 5.010 . 5.210 5.164 5.009 5.347 0.137 18 0 "[ . 1 . 2]" 1
943 1 53 GLY H 1 56 GLU H 3.500 . 3.700 3.338 3.255 3.409 . 0 0 "[ . 1 . 2]" 1
944 1 53 GLY H 1 56 GLU HA 4.320 . 4.520 3.082 2.823 3.341 . 0 0 "[ . 1 . 2]" 1
945 1 53 GLY H 1 56 GLU QB 3.890 . 4.020 1.972 1.937 2.018 . 0 0 "[ . 1 . 2]" 1
946 1 53 GLY H 1 56 GLU QG 3.920 . 4.120 3.633 3.203 4.020 . 0 0 "[ . 1 . 2]" 1
947 1 55 ALA H 1 56 GLU H 2.530 . 2.730 2.711 2.600 2.737 0.007 2 0 "[ . 1 . 2]" 1
948 1 55 ALA H 1 58 GLN QG 5.330 . 5.530 5.612 4.601 6.654 1.124 5 8 "[ - *+* 1 **.* * 2]" 1
949 1 55 ALA HA 1 57 GLY H 5.180 . 5.380 3.575 3.304 3.812 . 0 0 "[ . 1 . 2]" 1
950 1 55 ALA HA 1 58 GLN H 4.530 . 4.730 3.062 2.767 3.736 . 0 0 "[ . 1 . 2]" 1
951 1 55 ALA MB 1 56 GLU H 3.480 . 3.680 3.629 3.595 3.667 . 0 0 "[ . 1 . 2]" 1
952 1 55 ALA MB 1 57 GLY H 4.700 . 4.900 4.545 4.262 4.771 . 0 0 "[ . 1 . 2]" 1
953 1 55 ALA MB 1 58 GLN H 3.830 . 4.030 3.600 3.299 3.969 . 0 0 "[ . 1 . 2]" 1
954 1 56 GLU H 1 56 GLU QG 3.030 . 3.230 2.023 1.938 2.254 . 0 0 "[ . 1 . 2]" 1
955 1 56 GLU H 1 57 GLY H 3.670 . 3.870 2.752 2.642 2.816 . 0 0 "[ . 1 . 2]" 1
956 1 56 GLU H 1 58 GLN H 4.480 . 4.680 4.119 3.875 4.681 0.001 14 0 "[ . 1 . 2]" 1
957 1 56 GLU H 1 58 GLN QG 4.500 . 4.700 4.915 3.692 6.449 1.749 13 9 "[ - *** *1 +*.* * 2]" 1
958 1 56 GLU H 1 59 LEU H 5.490 . 5.690 5.528 5.291 5.691 0.001 5 0 "[ . 1 . 2]" 1
959 1 56 GLU HA 1 58 GLN H 4.930 . 5.130 4.645 4.528 4.805 . 0 0 "[ . 1 . 2]" 1
960 1 56 GLU QB 1 57 GLY H 3.870 . 4.070 3.352 3.249 3.503 . 0 0 "[ . 1 . 2]" 1
961 1 56 GLU QG 1 57 GLY H 3.170 . 3.370 1.971 1.896 2.103 . 0 0 "[ . 1 . 2]" 1
962 1 56 GLU QG 1 58 GLN H 4.330 . 4.530 4.140 3.827 4.640 0.110 14 0 "[ . 1 . 2]" 1
963 1 57 GLY H 1 58 GLN H 2.940 . 3.140 2.436 2.057 3.073 . 0 0 "[ . 1 . 2]" 1
964 1 57 GLY H 1 58 GLN HA 5.390 . 5.590 4.479 4.296 4.818 . 0 0 "[ . 1 . 2]" 1
965 1 57 GLY H 1 58 GLN QG 5.410 . 5.610 3.947 2.657 5.470 . 0 0 "[ . 1 . 2]" 1
966 1 57 GLY H 1 59 LEU H 4.740 . 4.940 4.455 4.179 4.769 . 0 0 "[ . 1 . 2]" 1
967 1 57 GLY H 1 58 GLN HB2 4.270 . 4.470 3.868 3.420 4.320 . 0 0 "[ . 1 . 2]" 1
968 1 57 GLY HA3 1 59 LEU H 5.500 . 5.700 5.308 5.143 5.610 . 0 0 "[ . 1 . 2]" 1
969 1 57 GLY HA2 1 59 LEU H 5.500 . 5.700 4.199 4.034 4.521 . 0 0 "[ . 1 . 2]" 1
970 1 58 GLN H 1 58 GLN QG 4.400 . 4.600 3.397 2.387 4.097 . 0 0 "[ . 1 . 2]" 1
971 1 58 GLN H 1 59 LEU H 2.440 . 2.640 2.125 1.994 2.393 . 0 0 "[ . 1 . 2]" 1
972 1 58 GLN H 1 59 LEU HA 5.500 . 5.700 4.775 4.508 5.009 . 0 0 "[ . 1 . 2]" 1
973 1 58 GLN H 1 58 GLN HB3 3.750 . 3.950 3.490 2.686 3.862 . 0 0 "[ . 1 . 2]" 1
974 1 58 GLN H 1 58 GLN HB2 3.110 . 3.310 2.442 2.211 2.786 . 0 0 "[ . 1 . 2]" 1
975 1 58 GLN QG 1 59 LEU H 4.400 . 4.600 4.242 3.891 4.523 . 0 0 "[ . 1 . 2]" 1
976 1 55 ALA MB 1 59 LEU H 3.270 . 3.470 3.024 2.739 3.386 . 0 0 "[ . 1 . 2]" 1
977 1 59 LEU H 1 59 LEU HG 3.530 . 3.730 2.956 2.457 3.734 0.004 12 0 "[ . 1 . 2]" 1
978 1 59 LEU H 1 59 LEU MD2 4.640 . 4.840 3.967 3.143 4.498 . 0 0 "[ . 1 . 2]" 1
979 1 59 LEU H 1 60 GLN H 4.420 . 4.620 4.273 4.034 4.402 . 0 0 "[ . 1 . 2]" 1
980 1 59 LEU H 1 60 GLN HA 5.330 . 5.530 5.082 4.933 5.246 . 0 0 "[ . 1 . 2]" 1
981 1 58 GLN HB3 1 59 LEU H 3.620 . 3.820 3.296 2.538 3.824 0.004 11 0 "[ . 1 . 2]" 1
982 1 58 GLN HB2 1 59 LEU H 3.630 . 3.830 2.873 2.477 3.688 . 0 0 "[ . 1 . 2]" 1
983 1 26 ILE MG 1 59 LEU H 3.490 . 3.690 3.093 2.679 4.138 0.448 14 0 "[ . 1 . 2]" 1
984 1 59 LEU HA 1 63 ASP H 5.230 . 5.430 4.875 4.635 5.129 . 0 0 "[ . 1 . 2]" 1
985 1 32 ARG H 1 32 ARG QB 2.930 . 3.130 2.388 2.231 2.513 . 0 0 "[ . 1 . 2]" 1
986 1 15 THR MG 1 94 ILE H 5.220 . 5.420 5.160 4.502 5.951 0.531 16 1 "[ . 1 .+ 2]" 1
987 1 60 GLN H 1 60 GLN HG2 3.310 . 3.510 2.393 2.192 2.556 . 0 0 "[ . 1 . 2]" 1
988 1 32 ARG H 1 77 GLU QB 3.660 . 3.860 4.044 3.597 4.616 0.756 13 3 "[ -. 1 + . *]" 1
989 1 60 GLN H 1 61 GLU H 4.560 . 4.760 4.406 4.391 4.446 . 0 0 "[ . 1 . 2]" 1
990 1 32 ARG H 1 77 GLU QG 4.750 . 4.950 4.352 3.317 5.190 0.240 7 0 "[ . 1 . 2]" 1
991 1 60 GLN H 1 62 ASN H 4.950 . 5.150 4.359 4.223 4.573 . 0 0 "[ . 1 . 2]" 1
992 1 60 GLN H 1 63 ASP H 4.040 . 4.240 3.062 2.857 3.321 . 0 0 "[ . 1 . 2]" 1
993 1 60 GLN H 1 63 ASP QB 3.770 . 3.970 2.403 1.987 2.982 . 0 0 "[ . 1 . 2]" 1
994 1 60 GLN HA 1 63 ASP H 5.500 . 5.700 4.562 4.454 4.773 . 0 0 "[ . 1 . 2]" 1
995 1 60 GLN QB 1 61 GLU H 3.140 . 3.340 2.207 2.188 2.254 . 0 0 "[ . 1 . 2]" 1
996 1 60 GLN HG2 1 61 GLU H 3.740 . 3.940 3.858 3.671 3.943 0.003 17 0 "[ . 1 . 2]" 1
997 1 60 GLN HG3 1 61 GLU H 3.480 . 3.680 3.590 3.454 3.682 0.002 3 0 "[ . 1 . 2]" 1
998 1 60 GLN HG2 1 62 ASN H 5.500 . 5.700 2.665 2.401 2.983 . 0 0 "[ . 1 . 2]" 1
999 1 60 GLN HG3 1 62 ASN H 3.840 . 4.040 2.230 2.027 2.402 . 0 0 "[ . 1 . 2]" 1
1000 1 60 GLN HG2 1 63 ASP H 4.000 . 4.200 2.396 2.159 2.819 . 0 0 "[ . 1 . 2]" 1
1001 1 60 GLN HG3 1 63 ASP H 3.660 . 3.860 3.514 3.152 3.737 . 0 0 "[ . 1 . 2]" 1
1002 1 61 GLU H 1 61 GLU QG 2.930 . 3.130 2.929 1.964 4.049 0.919 11 6 "[ . * 1+-* .** 2]" 1
1003 1 61 GLU H 1 62 ASN H 3.670 . 3.870 2.781 2.736 2.843 . 0 0 "[ . 1 . 2]" 1
1004 1 61 GLU H 1 62 ASN QB 5.500 . 5.700 4.586 4.415 4.960 . 0 0 "[ . 1 . 2]" 1
1005 1 61 GLU H 1 63 ASP H 4.680 . 4.880 4.266 4.219 4.406 . 0 0 "[ . 1 . 2]" 1
1006 1 61 GLU QB 1 62 ASN H 3.560 . 3.760 2.996 2.694 3.525 . 0 0 "[ . 1 . 2]" 1
1007 1 61 GLU QG 1 62 ASN H 3.520 . 3.720 3.751 1.981 4.596 0.876 9 10 "[** . - +* * *** * 2]" 1
1008 1 62 ASN H 1 63 ASP H 2.930 . 3.130 2.608 2.520 2.683 . 0 0 "[ . 1 . 2]" 1
1009 1 62 ASN H 1 63 ASP HA 5.500 . 5.700 5.253 5.184 5.311 . 0 0 "[ . 1 . 2]" 1
1010 1 60 GLN QB 1 62 ASN H 4.970 . 5.170 2.988 2.923 3.054 . 0 0 "[ . 1 . 2]" 1
1011 1 62 ASN QB 1 63 ASP H 5.390 . 5.590 2.842 2.692 2.924 . 0 0 "[ . 1 . 2]" 1
1012 1 63 ASP H 1 64 ARG HA 5.500 . 5.700 4.990 4.863 5.085 . 0 0 "[ . 1 . 2]" 1
1013 1 60 GLN QB 1 63 ASP H 4.020 . 4.220 4.149 4.051 4.417 0.197 2 0 "[ . 1 . 2]" 1
1014 1 63 ASP H 1 64 ARG H 4.140 . 4.340 4.280 3.999 4.370 0.030 2 0 "[ . 1 . 2]" 1
1015 1 63 ASP H 1 64 ARG QD 4.680 . 4.880 6.563 4.645 7.978 3.098 14 17 "[***-.** *1***+******]" 1
1016 1 63 ASP QB 1 64 ARG H . . 4.440 3.377 1.932 3.764 . 0 0 "[ . 1 . 2]" 1
1017 1 63 ASP QB 1 97 ARG H . . 5.110 3.504 3.030 3.914 . 0 0 "[ . 1 . 2]" 1
1018 1 63 ASP QB 1 98 ARG H 5.500 . 5.700 5.140 4.617 5.512 . 0 0 "[ . 1 . 2]" 1
1019 1 64 ARG H 1 64 ARG QD 4.220 . 4.420 3.931 2.394 5.014 0.594 2 1 "[ + . 1 . 2]" 1
1020 1 64 ARG H 1 97 ARG HD3 5.500 . 5.700 4.683 4.180 5.293 . 0 0 "[ . 1 . 2]" 1
1021 1 65 VAL H 1 97 ARG HD3 5.500 . 5.700 5.050 4.732 5.309 . 0 0 "[ . 1 . 2]" 1
1022 1 64 ARG H 1 98 ARG QG 5.390 . 5.590 4.542 2.924 6.057 0.467 17 0 "[ . 1 . 2]" 1
1023 1 64 ARG HA 1 97 ARG H 5.500 . 5.700 4.371 4.233 4.582 . 0 0 "[ . 1 . 2]" 1
1024 1 64 ARG H 1 64 ARG QB 3.290 . 3.490 2.255 2.088 2.724 . 0 0 "[ . 1 . 2]" 1
1025 1 65 VAL H 1 65 VAL HB 3.410 . 3.610 2.740 2.592 3.626 0.016 4 0 "[ . 1 . 2]" 1
1026 1 65 VAL HB 1 66 ALA H 4.490 . 4.690 3.972 3.187 4.189 . 0 0 "[ . 1 . 2]" 1
1027 1 65 VAL H 1 66 ALA H 4.690 . 4.890 4.540 4.496 4.589 . 0 0 "[ . 1 . 2]" 1
1028 1 64 ARG H 1 64 ARG QG 3.280 . 3.480 3.388 1.968 4.012 0.532 5 1 "[ + 1 . 2]" 1
1029 1 65 VAL H 1 96 ILE HA 4.640 . 4.840 4.452 4.263 4.684 . 0 0 "[ . 1 . 2]" 1
1030 1 65 VAL H 1 96 ILE MG 3.470 . 3.670 3.209 2.738 3.686 0.016 17 0 "[ . 1 . 2]" 1
1031 1 64 ARG H 1 97 ARG H 3.600 . 3.800 2.890 2.151 3.218 . 0 0 "[ . 1 . 2]" 1
1032 1 65 VAL HA 1 67 MET H 4.620 . 4.820 3.815 3.591 4.205 . 0 0 "[ . 1 . 2]" 1
1033 1 65 VAL HA 1 95 THR H 5.500 . 5.700 5.062 4.821 5.290 . 0 0 "[ . 1 . 2]" 1
1034 1 65 VAL HA 1 96 ILE H 5.500 . 5.700 4.611 4.406 4.846 . 0 0 "[ . 1 . 2]" 1
1035 1 65 VAL HA 1 97 ARG H 5.090 . 5.290 3.818 3.675 4.033 . 0 0 "[ . 1 . 2]" 1
1036 1 65 VAL QG 1 66 ALA H 2.960 . 3.160 2.497 2.072 3.520 0.360 4 0 "[ . 1 . 2]" 1
1037 1 65 VAL QG 1 67 MET H 3.530 . 3.730 2.765 2.080 4.247 0.517 7 1 "[ . + 1 . 2]" 1
1038 1 65 VAL QG 1 96 ILE H 4.600 . 4.800 4.573 4.310 4.811 0.011 7 0 "[ . 1 . 2]" 1
1039 1 66 ALA H 1 67 MET H 2.670 . 2.870 1.987 1.916 2.132 . 0 0 "[ . 1 . 2]" 1
1040 1 66 ALA H 1 67 MET QB 4.900 . 5.100 4.268 3.828 4.482 . 0 0 "[ . 1 . 2]" 1
1041 1 11 GLN QG 1 66 ALA H 5.290 . 5.490 4.397 3.921 5.055 . 0 0 "[ . 1 . 2]" 1
1042 1 66 ALA H 1 73 MET H 5.500 . 5.700 5.225 5.025 5.493 . 0 0 "[ . 1 . 2]" 1
1043 1 66 ALA H 1 73 MET HB3 5.440 . 5.640 5.229 4.990 5.632 . 0 0 "[ . 1 . 2]" 1
1044 1 66 ALA H 1 73 MET HB2 4.480 . 4.680 4.011 3.768 4.351 . 0 0 "[ . 1 . 2]" 1
1045 1 66 ALA H 1 73 MET QG 5.500 . 5.700 4.882 4.090 5.791 0.091 12 0 "[ . 1 . 2]" 1
1046 1 66 ALA H 1 95 THR H 4.640 . 4.840 4.421 4.203 4.599 . 0 0 "[ . 1 . 2]" 1
1047 1 66 ALA H 1 66 ALA MB 2.530 . 2.730 2.383 2.277 2.556 . 0 0 "[ . 1 . 2]" 1
1048 1 66 ALA H 1 96 ILE H 5.170 . 5.370 4.732 4.519 4.968 . 0 0 "[ . 1 . 2]" 1
1049 1 66 ALA H 1 96 ILE HA 3.430 . 3.630 2.819 2.621 3.177 . 0 0 "[ . 1 . 2]" 1
1050 1 66 ALA H 1 96 ILE MG 3.790 . 3.990 3.472 3.195 3.853 . 0 0 "[ . 1 . 2]" 1
1051 1 66 ALA H 1 95 THR HA 5.500 . 5.700 5.049 4.840 5.228 . 0 0 "[ . 1 . 2]" 1
1052 1 66 ALA H 1 97 ARG QG 5.290 . 5.490 4.918 4.489 5.437 . 0 0 "[ . 1 . 2]" 1
1053 1 66 ALA H 1 97 ARG HD2 5.500 . 5.700 4.106 3.467 4.656 . 0 0 "[ . 1 . 2]" 1
1054 1 66 ALA H 1 97 ARG HD3 5.370 . 5.570 3.599 3.164 4.575 . 0 0 "[ . 1 . 2]" 1
1055 1 66 ALA HA 1 73 MET H 4.150 . 4.350 3.623 3.227 3.944 . 0 0 "[ . 1 . 2]" 1
1056 1 66 ALA HA 1 74 ASP H 5.230 . 5.430 4.817 4.231 5.437 0.007 14 0 "[ . 1 . 2]" 1
1057 1 66 ALA MB 1 73 MET H 4.480 . 4.680 4.170 3.712 4.424 . 0 0 "[ . 1 . 2]" 1
1058 1 66 ALA MB 1 74 ASP H 5.500 . 5.700 5.395 4.505 6.015 0.315 14 0 "[ . 1 . 2]" 1
1059 1 67 MET H 1 67 MET HG2 4.960 . 5.160 4.704 4.536 4.991 . 0 0 "[ . 1 . 2]" 1
1060 1 67 MET H 1 68 VAL H 4.390 . 4.590 4.348 4.244 4.399 . 0 0 "[ . 1 . 2]" 1
1061 1 67 MET H 1 68 VAL HA 5.280 . 5.480 4.791 4.746 4.834 . 0 0 "[ . 1 . 2]" 1
1062 1 67 MET H 1 72 SER HA 5.500 . 5.700 4.954 4.757 5.180 . 0 0 "[ . 1 . 2]" 1
1063 1 67 MET H 1 73 MET H 4.500 . 4.700 4.238 3.985 4.579 . 0 0 "[ . 1 . 2]" 1
1064 1 67 MET H 1 73 MET QG 4.790 . 4.990 4.032 3.158 5.123 0.133 12 0 "[ . 1 . 2]" 1
1065 1 67 MET H 1 94 ILE HA 5.500 . 5.700 5.284 5.057 5.529 . 0 0 "[ . 1 . 2]" 1
1066 1 67 MET H 1 94 ILE MG 4.070 . 4.270 4.044 3.727 4.476 0.206 11 0 "[ . 1 . 2]" 1
1067 1 67 MET H 1 95 THR H 3.630 . 3.830 3.400 3.225 3.571 . 0 0 "[ . 1 . 2]" 1
1068 1 67 MET H 1 95 THR HA 5.500 . 5.700 4.782 4.551 5.097 . 0 0 "[ . 1 . 2]" 1
1069 1 67 MET H 1 95 THR MG 2.680 . 2.880 3.849 3.271 4.483 1.603 18 18 "[-****** ********+**]" 1
1070 1 67 MET H 1 96 ILE H 5.500 . 5.700 5.305 5.099 5.666 . 0 0 "[ . 1 . 2]" 1
1071 1 67 MET H 1 96 ILE HA 4.530 . 4.730 4.371 4.184 4.729 . 0 0 "[ . 1 . 2]" 1
1072 1 67 MET H 1 96 ILE MG 4.660 . 4.860 4.479 4.129 4.994 0.134 14 0 "[ . 1 . 2]" 1
1073 1 67 MET H 1 97 ARG HD2 5.500 . 5.700 5.327 4.889 5.702 0.002 20 0 "[ . 1 . 2]" 1
1074 1 67 MET HA 1 71 VAL H 5.500 . 5.700 4.994 4.447 5.337 . 0 0 "[ . 1 . 2]" 1
1075 1 67 MET HA 1 95 THR H 5.500 . 5.700 4.817 4.692 4.908 . 0 0 "[ . 1 . 2]" 1
1076 1 67 MET QB 1 70 GLY H 4.790 . 4.990 4.229 4.045 4.587 . 0 0 "[ . 1 . 2]" 1
1077 1 67 MET QB 1 73 MET H 4.540 . 4.740 3.901 3.565 4.263 . 0 0 "[ . 1 . 2]" 1
1078 1 67 MET QB 1 95 THR H 4.390 . 4.590 3.647 3.197 4.060 . 0 0 "[ . 1 . 2]" 1
1079 1 67 MET HG3 1 68 VAL H 3.250 . 3.450 2.822 1.993 3.175 . 0 0 "[ . 1 . 2]" 1
1080 1 67 MET HG2 1 68 VAL H 3.550 . 3.750 2.465 2.048 3.295 . 0 0 "[ . 1 . 2]" 1
1081 1 67 MET HG3 1 70 GLY H 4.390 . 4.590 4.257 3.458 4.590 . 6 0 "[ . 1 . 2]" 1
1082 1 67 MET HG2 1 70 GLY H 3.850 . 4.050 2.778 2.426 3.084 . 0 0 "[ . 1 . 2]" 1
1083 1 67 MET HG3 1 71 VAL H 4.320 . 4.520 3.898 2.784 4.521 0.001 6 0 "[ . 1 . 2]" 1
1084 1 67 MET HG2 1 71 VAL H 3.930 . 4.130 3.312 2.528 3.856 . 0 0 "[ . 1 . 2]" 1
1085 1 67 MET HG2 1 72 SER H 5.180 . 5.380 4.763 4.252 5.384 0.004 18 0 "[ . 1 . 2]" 1
1086 1 73 MET H 1 73 MET HB2 3.360 . 3.560 2.442 2.352 2.601 . 0 0 "[ . 1 . 2]" 1
1087 1 73 MET HB2 1 74 ASP H 4.140 . 4.340 4.134 4.037 4.249 . 0 0 "[ . 1 . 2]" 1
1088 1 67 MET HG2 1 95 THR H 5.030 . 5.230 4.911 4.190 5.216 . 0 0 "[ . 1 . 2]" 1
1089 1 68 VAL H 1 68 VAL QG . . 3.100 2.398 1.960 2.925 . 0 0 "[ . 1 . 2]" 1
1090 1 68 VAL H 1 69 ASN H 4.210 . 4.410 4.146 4.113 4.261 . 0 0 "[ . 1 . 2]" 1
1091 1 68 VAL H 1 69 ASN HB3 5.500 . 5.700 5.443 5.197 5.665 . 0 0 "[ . 1 . 2]" 1
1092 1 68 VAL H 1 69 ASN HB2 5.500 . 5.700 5.532 5.345 5.699 . 0 0 "[ . 1 . 2]" 1
1093 1 68 VAL H 1 70 GLY H 3.750 . 3.950 3.684 3.574 3.768 . 0 0 "[ . 1 . 2]" 1
1094 1 68 VAL H 1 70 GLY HA2 4.960 . 5.160 4.981 4.845 5.126 . 0 0 "[ . 1 . 2]" 1
1095 1 68 VAL H 1 70 GLY HA3 5.500 . 5.700 5.638 5.524 5.712 0.012 9 0 "[ . 1 . 2]" 1
1096 1 68 VAL H 1 71 VAL H 3.510 . 3.710 3.121 2.628 3.396 . 0 0 "[ . 1 . 2]" 1
1097 1 68 VAL H 1 71 VAL HA 5.500 . 5.700 4.485 4.330 4.591 . 0 0 "[ . 1 . 2]" 1
1098 1 68 VAL H 1 71 VAL QG . . 3.950 3.619 2.407 4.052 0.102 5 0 "[ . 1 . 2]" 1
1099 1 68 VAL H 1 72 SER H 5.010 . 5.210 4.687 4.567 4.772 . 0 0 "[ . 1 . 2]" 1
1100 1 68 VAL H 1 73 MET H 4.900 . 5.100 4.351 3.938 4.684 . 0 0 "[ . 1 . 2]" 1
1101 1 68 VAL H 1 73 MET QG 3.830 . 4.030 3.048 2.438 4.261 0.231 5 0 "[ . 1 . 2]" 1
1102 1 67 MET ME 1 68 VAL H 3.690 . 3.890 4.489 3.779 4.981 1.091 9 13 "[ * *****+1* ***-* 2]" 1
1103 1 68 VAL H 1 94 ILE HA 5.160 . 5.360 5.034 4.903 5.214 . 0 0 "[ . 1 . 2]" 1
1104 1 68 VAL H 1 95 THR H 4.640 . 4.840 4.601 4.516 4.698 . 0 0 "[ . 1 . 2]" 1
1105 1 68 VAL HA 1 95 THR H 4.950 . 5.150 2.871 2.626 3.066 . 0 0 "[ . 1 . 2]" 1
1106 1 68 VAL QG 1 70 GLY H . . 4.730 4.228 4.037 4.375 . 0 0 "[ . 1 . 2]" 1
1107 1 68 VAL QG 1 71 VAL H . . 4.260 3.729 3.149 4.429 0.169 1 0 "[ . 1 . 2]" 1
1108 1 69 ASN H 1 70 GLY HA2 5.500 . 5.700 5.095 5.017 5.202 . 0 0 "[ . 1 . 2]" 1
1109 1 69 ASN H 1 70 GLY HA3 5.500 . 5.700 5.362 5.309 5.440 . 0 0 "[ . 1 . 2]" 1
1110 1 69 ASN H 1 71 VAL H 4.460 . 4.660 4.262 4.010 4.441 . 0 0 "[ . 1 . 2]" 1
1111 1 69 ASN H 1 70 GLY H 3.110 . 3.310 2.753 2.687 2.861 . 0 0 "[ . 1 . 2]" 1
1112 1 69 ASN H 1 93 LYS H 4.720 . 4.920 4.048 3.854 4.240 . 0 0 "[ . 1 . 2]" 1
1113 1 69 ASN H 1 93 LYS HA 5.500 . 5.700 5.008 4.868 5.154 . 0 0 "[ . 1 . 2]" 1
1114 1 67 MET ME 1 69 ASN H 3.850 . 4.050 5.807 3.746 7.179 3.129 5 15 "[ ***+****-* ***** 2]" 1
1115 1 69 ASN H 1 93 LYS QG 4.360 . 4.560 2.359 2.100 2.650 . 0 0 "[ . 1 . 2]" 1
1116 1 69 ASN H 1 93 LYS QD 3.830 . 4.030 4.127 3.642 4.678 0.648 20 2 "[ - . 1 . +]" 1
1117 1 69 ASN H 1 94 ILE H 5.120 . 5.320 4.831 4.712 4.899 . 0 0 "[ . 1 . 2]" 1
1118 1 69 ASN H 1 94 ILE HA 5.150 . 5.350 3.147 2.847 3.348 . 0 0 "[ . 1 . 2]" 1
1119 1 69 ASN H 1 94 ILE QG 4.510 . 4.710 4.166 3.716 5.078 0.368 11 0 "[ . 1 . 2]" 1
1120 1 69 ASN H 1 95 THR H 4.440 . 4.640 4.272 4.098 4.480 . 0 0 "[ . 1 . 2]" 1
1121 1 69 ASN HA 1 93 LYS H 4.680 . 4.880 3.661 3.415 3.897 . 0 0 "[ . 1 . 2]" 1
1122 1 69 ASN HB3 1 70 GLY H 4.670 . 4.870 4.136 4.118 4.172 . 0 0 "[ . 1 . 2]" 1
1123 1 69 ASN HB2 1 70 GLY H 4.480 . 4.680 4.464 4.391 4.522 . 0 0 "[ . 1 . 2]" 1
1124 1 69 ASN HB3 1 71 VAL H 4.750 . 4.950 3.485 3.310 3.733 . 0 0 "[ . 1 . 2]" 1
1125 1 69 ASN HB2 1 71 VAL H 4.970 . 5.170 4.500 4.243 4.747 . 0 0 "[ . 1 . 2]" 1
1126 1 69 ASN HB2 1 85 LEU H 5.490 . 5.690 5.083 4.190 5.561 . 0 0 "[ . 1 . 2]" 1
1127 1 69 ASN HB3 1 93 LYS H 5.500 . 5.700 5.443 5.148 5.699 . 0 0 "[ . 1 . 2]" 1
1128 1 69 ASN HB2 1 93 LYS H 4.960 . 5.160 4.069 3.792 4.457 . 0 0 "[ . 1 . 2]" 1
1129 1 70 GLY H 1 71 VAL H 3.170 . 3.370 2.715 2.471 2.846 . 0 0 "[ . 1 . 2]" 1
1130 1 70 GLY H 1 71 VAL HA 5.440 . 5.640 5.154 5.083 5.200 . 0 0 "[ . 1 . 2]" 1
1131 1 67 MET ME 1 70 GLY H 3.550 . 3.750 4.004 2.124 5.616 1.866 5 9 "[ * + -*1* *** * 2]" 1
1132 1 70 GLY H 1 93 LYS QD 4.790 . 4.990 4.350 3.685 5.099 0.109 20 0 "[ . 1 . 2]" 1
1133 1 70 GLY H 1 93 LYS QE 5.500 . 5.700 3.589 2.415 4.897 . 0 0 "[ . 1 . 2]" 1
1134 1 71 VAL H 1 71 VAL QG . . 2.760 2.271 2.036 2.535 . 0 0 "[ . 1 . 2]" 1
1135 1 71 VAL H 1 72 SER H 4.660 . 4.860 4.516 4.391 4.606 . 0 0 "[ . 1 . 2]" 1
1136 1 68 VAL HA 1 71 VAL H 5.500 . 5.700 4.591 4.195 4.796 . 0 0 "[ . 1 . 2]" 1
1137 1 69 ASN HA 1 71 VAL H 5.500 . 5.700 4.377 4.312 4.466 . 0 0 "[ . 1 . 2]" 1
1138 1 82 VAL MG1 1 84 GLN H 5.500 . 5.700 4.428 4.016 4.949 . 0 0 "[ . 1 . 2]" 1
1139 1 71 VAL QG 1 73 MET H 5.500 . 5.700 4.782 4.311 4.984 . 0 0 "[ . 1 . 2]" 1
1140 1 72 SER H 1 73 MET H 4.720 . 4.920 4.608 4.575 4.624 . 0 0 "[ . 1 . 2]" 1
1141 1 67 MET HG3 1 72 SER H 3.960 . 4.160 3.492 3.151 3.906 . 0 0 "[ . 1 . 2]" 1
1142 1 72 SER H 1 76 VAL QG 5.420 . 5.620 4.013 3.474 4.487 . 0 0 "[ . 1 . 2]" 1
1143 1 72 SER HA 1 74 ASP H 4.390 . 4.590 3.940 3.764 4.106 . 0 0 "[ . 1 . 2]" 1
1144 1 43 SER HA 1 75 ASN H 4.780 . 4.980 4.303 3.497 4.791 . 0 0 "[ . 1 . 2]" 1
1145 1 73 MET H 1 73 MET QG 3.950 . 4.150 3.229 2.853 4.072 . 0 0 "[ . 1 . 2]" 1
1146 1 73 MET H 1 74 ASP H 2.960 . 3.160 2.627 2.471 2.818 . 0 0 "[ . 1 . 2]" 1
1147 1 73 MET H 1 75 ASN H 5.500 . 5.700 4.716 4.476 4.882 . 0 0 "[ . 1 . 2]" 1
1148 1 73 MET HA 1 75 ASN H 5.500 . 5.700 3.357 3.100 3.472 . 0 0 "[ . 1 . 2]" 1
1149 1 73 MET HA 1 76 VAL H 5.400 . 5.600 4.028 3.688 4.386 . 0 0 "[ . 1 . 2]" 1
1150 1 73 MET HB3 1 74 ASP H 4.630 . 4.830 4.355 4.252 4.432 . 0 0 "[ . 1 . 2]" 1
1151 1 73 MET HB3 1 75 ASN H 5.030 . 5.230 5.066 4.685 5.245 0.015 13 0 "[ . 1 . 2]" 1
1152 1 73 MET HB2 1 75 ASN H 5.500 . 5.700 5.592 5.405 5.701 0.001 18 0 "[ . 1 . 2]" 1
1153 1 73 MET QG 1 74 ASP H 4.720 . 4.920 4.667 4.532 4.942 0.022 1 0 "[ . 1 . 2]" 1
1154 1 74 ASP H 1 75 ASN H 3.670 . 3.870 2.371 2.147 2.541 . 0 0 "[ . 1 . 2]" 1
1155 1 74 ASP H 1 75 ASN HA 5.080 . 5.280 4.894 4.808 5.093 . 0 0 "[ . 1 . 2]" 1
1156 1 74 ASP H 1 76 VAL H 4.740 . 4.940 4.372 4.018 4.758 . 0 0 "[ . 1 . 2]" 1
1157 1 75 ASN H 1 76 VAL H 3.220 . 3.420 2.167 1.964 2.876 . 0 0 "[ . 1 . 2]" 1
1158 1 75 ASN H 1 76 VAL HA 4.720 . 4.920 4.419 4.352 4.618 . 0 0 "[ . 1 . 2]" 1
1159 1 75 ASN HB2 1 76 VAL H 4.670 . 4.870 4.472 4.332 4.659 . 0 0 "[ . 1 . 2]" 1
1160 1 75 ASN HB3 1 76 VAL H 4.670 . 4.870 4.443 4.168 4.663 . 0 0 "[ . 1 . 2]" 1
1161 1 76 VAL H 1 77 GLU H 4.440 . 4.640 4.412 4.338 4.460 . 0 0 "[ . 1 . 2]" 1
1162 1 43 SER HA 1 76 VAL H 5.500 . 5.700 4.904 4.034 5.525 . 0 0 "[ . 1 . 2]" 1
1163 1 76 VAL H 1 77 GLU HA 5.500 . 5.700 4.901 4.748 5.018 . 0 0 "[ . 1 . 2]" 1
1164 1 76 VAL QG 1 82 VAL H 5.360 . 5.560 5.244 4.985 5.626 0.066 9 0 "[ . 1 . 2]" 1
1165 1 76 VAL QG 1 78 HIS H 5.060 . 5.260 5.082 4.931 5.257 . 0 0 "[ . 1 . 2]" 1
1166 1 76 VAL QG 1 80 PHE H 4.640 . 4.840 4.818 3.556 5.066 0.226 19 0 "[ . 1 . 2]" 1
1167 1 76 VAL QG 1 81 ALA H 3.440 . 3.640 3.590 3.013 3.936 0.296 19 0 "[ . 1 . 2]" 1
1168 1 77 GLU H 1 77 GLU QG 2.850 . 3.050 3.112 1.807 3.981 0.931 16 12 "[ * *-* 1*** *+ ***]" 1
1169 1 77 GLU H 1 78 HIS H 4.670 . 4.870 4.620 4.602 4.634 . 0 0 "[ . 1 . 2]" 1
1170 1 77 GLU H 1 79 ALA H 5.500 . 5.700 5.411 5.049 5.704 0.004 11 0 "[ . 1 . 2]" 1
1171 1 77 GLU H 1 80 PHE H 4.030 . 4.230 4.026 3.799 4.180 . 0 0 "[ . 1 . 2]" 1
1172 1 77 GLU H 1 80 PHE HA 5.500 . 5.700 5.521 5.255 5.712 0.012 7 0 "[ . 1 . 2]" 1
1173 1 77 GLU H 1 80 PHE QB 3.870 . 4.070 2.604 2.287 2.900 . 0 0 "[ . 1 . 2]" 1
1174 1 77 GLU H 1 81 ALA H 4.880 . 5.080 4.574 4.117 4.807 . 0 0 "[ . 1 . 2]" 1
1175 1 77 GLU H 1 81 ALA MB 5.290 . 5.490 4.912 4.288 5.224 . 0 0 "[ . 1 . 2]" 1
1176 1 77 GLU HA 1 80 PHE H 4.930 . 5.130 4.579 4.438 4.800 . 0 0 "[ . 1 . 2]" 1
1177 1 77 GLU HA 1 81 ALA H 5.500 . 5.700 5.142 4.907 5.220 . 0 0 "[ . 1 . 2]" 1
1178 1 77 GLU QB 1 78 HIS H 3.600 . 3.800 3.040 2.612 3.499 . 0 0 "[ . 1 . 2]" 1
1179 1 77 GLU QG 1 78 HIS H 4.180 . 4.380 2.857 1.960 4.165 . 0 0 "[ . 1 . 2]" 1
1180 1 77 GLU QG 1 79 ALA H 4.160 . 4.360 3.116 1.977 4.955 0.595 3 1 "[ + . 1 . 2]" 1
1181 1 77 GLU QG 1 80 PHE H 3.570 . 3.770 3.235 1.848 4.386 0.616 4 1 "[ +. 1 . 2]" 1
1182 1 77 GLU QG 1 81 ALA H 4.150 . 4.350 4.814 3.513 5.822 1.472 4 12 "[ **+** 1*** * **-]" 1
1183 1 78 HIS H 1 78 HIS HD2 5.500 . 5.700 4.150 1.987 5.314 . 0 0 "[ . 1 . 2]" 1
1184 1 78 HIS H 1 79 ALA H 3.350 . 3.550 2.851 2.694 3.023 . 0 0 "[ . 1 . 2]" 1
1185 1 78 HIS H 1 79 ALA HA 5.500 . 5.700 5.422 5.306 5.549 . 0 0 "[ . 1 . 2]" 1
1186 1 78 HIS H 1 79 ALA MB 4.740 . 4.940 4.468 4.349 4.587 . 0 0 "[ . 1 . 2]" 1
1187 1 78 HIS H 1 80 PHE H 4.540 . 4.740 4.281 4.025 4.598 . 0 0 "[ . 1 . 2]" 1
1188 1 78 HIS H 1 80 PHE QB 5.450 . 5.650 5.000 4.685 5.284 . 0 0 "[ . 1 . 2]" 1
1189 1 34 ASN H 1 78 HIS H 5.500 . 5.700 5.398 4.531 5.710 0.010 16 0 "[ . 1 . 2]" 1
1190 1 78 HIS H 1 81 ALA H 4.950 . 5.150 4.765 4.665 4.838 . 0 0 "[ . 1 . 2]" 1
1191 1 78 HIS H 1 81 ALA MB 4.820 . 5.020 4.649 4.416 4.913 . 0 0 "[ . 1 . 2]" 1
1192 1 44 ILE MG 1 78 HIS H 5.250 . 5.450 6.086 4.641 7.847 2.397 2 7 "[ + *** - 1 ** . 2]" 1
1193 1 78 HIS QB 1 79 ALA H 3.540 . 3.740 2.957 2.253 3.443 . 0 0 "[ . 1 . 2]" 1
1194 1 78 HIS QB 1 80 PHE H 5.320 . 5.520 4.958 4.529 5.354 . 0 0 "[ . 1 . 2]" 1
1195 1 78 HIS QB 1 81 ALA H 5.000 . 5.200 4.953 4.805 5.093 . 0 0 "[ . 1 . 2]" 1
1196 1 78 HIS QB 1 82 VAL H 5.500 . 5.700 4.902 4.451 5.310 . 0 0 "[ . 1 . 2]" 1
1197 1 78 HIS HD2 1 79 ALA H 5.440 . 5.640 3.705 2.509 5.547 . 0 0 "[ . 1 . 2]" 1
1198 1 79 ALA H 1 80 PHE H 2.920 . 3.120 2.687 2.539 2.874 . 0 0 "[ . 1 . 2]" 1
1199 1 79 ALA H 1 80 PHE HA 5.500 . 5.700 5.290 5.178 5.433 . 0 0 "[ . 1 . 2]" 1
1200 1 79 ALA H 1 81 ALA H 4.090 . 4.290 4.075 3.959 4.224 . 0 0 "[ . 1 . 2]" 1
1201 1 79 ALA H 1 81 ALA MB 4.820 . 5.020 4.828 4.654 5.082 0.062 15 0 "[ . 1 . 2]" 1
1202 1 79 ALA H 1 82 VAL H 5.040 . 5.240 4.725 4.630 4.814 . 0 0 "[ . 1 . 2]" 1
1203 1 77 GLU QB 1 79 ALA H 3.470 . 3.670 3.015 2.715 3.417 . 0 0 "[ . 1 . 2]" 1
1204 1 79 ALA HA 1 83 GLN H 4.230 . 4.430 3.848 3.601 4.032 . 0 0 "[ . 1 . 2]" 1
1205 1 79 ALA MB 1 80 PHE H 2.850 . 3.050 2.567 2.329 2.762 . 0 0 "[ . 1 . 2]" 1
1206 1 79 ALA MB 1 81 ALA H 4.520 . 4.720 4.460 4.312 4.599 . 0 0 "[ . 1 . 2]" 1
1207 1 80 PHE H 1 81 ALA H 2.700 . 2.900 2.611 2.515 2.693 . 0 0 "[ . 1 . 2]" 1
1208 1 80 PHE H 1 81 ALA HA 5.500 . 5.700 5.237 5.162 5.302 . 0 0 "[ . 1 . 2]" 1
1209 1 78 HIS HA 1 80 PHE H 4.670 . 4.870 4.484 4.210 4.729 . 0 0 "[ . 1 . 2]" 1
1210 1 77 GLU QB 1 80 PHE H 3.590 . 3.790 2.707 2.117 3.685 . 0 0 "[ . 1 . 2]" 1
1211 1 80 PHE H 1 83 GLN QG 4.790 . 4.990 4.061 3.893 4.228 . 0 0 "[ . 1 . 2]" 1
1212 1 80 PHE HA 1 82 VAL H 5.500 . 5.700 4.619 4.329 4.943 . 0 0 "[ . 1 . 2]" 1
1213 1 80 PHE QB 1 81 ALA H 3.470 . 3.670 2.744 2.669 2.827 . 0 0 "[ . 1 . 2]" 1
1214 1 80 PHE QB 1 83 GLN H 5.470 . 5.670 5.201 5.050 5.312 . 0 0 "[ . 1 . 2]" 1
1215 1 80 PHE QB 1 84 GLN H 5.500 . 5.700 5.349 4.973 5.814 0.114 1 0 "[ . 1 . 2]" 1
1216 1 81 ALA H 1 83 GLN H 4.160 . 4.360 4.129 3.988 4.344 . 0 0 "[ . 1 . 2]" 1
1217 1 81 ALA H 1 82 VAL H 2.660 . 2.860 2.580 2.498 2.750 . 0 0 "[ . 1 . 2]" 1
1218 1 81 ALA H 1 84 GLN H 4.980 . 5.180 4.797 4.692 4.898 . 0 0 "[ . 1 . 2]" 1
1219 1 81 ALA H 1 84 GLN HB2 5.380 . 5.580 5.012 4.793 5.384 . 0 0 "[ . 1 . 2]" 1
1220 1 81 ALA HA 1 83 GLN H 4.870 . 5.070 4.599 4.374 4.890 . 0 0 "[ . 1 . 2]" 1
1221 1 81 ALA MB 1 82 VAL H 2.810 . 3.010 2.564 2.290 2.778 . 0 0 "[ . 1 . 2]" 1
1222 1 81 ALA MB 1 84 GLN H 4.730 . 4.930 4.603 4.447 4.755 . 0 0 "[ . 1 . 2]" 1
1223 1 81 ALA MB 1 85 LEU H 5.160 . 5.360 4.817 4.604 5.001 . 0 0 "[ . 1 . 2]" 1
1224 1 82 VAL H 1 83 GLN H 2.840 . 3.040 2.687 2.565 2.824 . 0 0 "[ . 1 . 2]" 1
1225 1 78 HIS HA 1 82 VAL H 4.340 . 4.540 3.985 3.730 4.237 . 0 0 "[ . 1 . 2]" 1
1226 1 82 VAL H 1 83 GLN QG 5.170 . 5.370 4.018 3.824 4.280 . 0 0 "[ . 1 . 2]" 1
1227 1 82 VAL H 1 84 GLN HB2 5.320 . 5.520 4.927 4.757 5.106 . 0 0 "[ . 1 . 2]" 1
1228 1 82 VAL H 1 85 LEU HG 5.500 . 5.700 4.649 4.291 4.880 . 0 0 "[ . 1 . 2]" 1
1229 1 82 VAL H 1 82 VAL HB 2.970 . 3.170 2.599 2.485 2.736 . 0 0 "[ . 1 . 2]" 1
1230 1 82 VAL MG2 1 83 GLN H 4.380 . 4.580 3.632 3.475 3.748 . 0 0 "[ . 1 . 2]" 1
1231 1 82 VAL MG2 1 84 GLN H 5.500 . 5.700 4.947 4.761 5.143 . 0 0 "[ . 1 . 2]" 1
1232 1 83 GLN H 1 83 GLN QG 3.100 . 3.300 2.291 2.088 2.406 . 0 0 "[ . 1 . 2]" 1
1233 1 83 GLN H 1 84 GLN HA 5.340 . 5.540 5.230 5.170 5.332 . 0 0 "[ . 1 . 2]" 1
1234 1 83 GLN H 1 84 GLN HB2 4.960 . 5.160 4.507 4.394 4.664 . 0 0 "[ . 1 . 2]" 1
1235 1 83 GLN H 1 85 LEU HG 5.310 . 5.510 4.577 4.361 4.766 . 0 0 "[ . 1 . 2]" 1
1236 1 85 LEU H 1 86 ARG H 2.740 . 2.940 2.519 2.481 2.677 . 0 0 "[ . 1 . 2]" 1
1237 1 83 GLN H 1 86 ARG QG 4.290 . 4.490 5.737 3.840 6.546 2.056 20 15 "[-****** ** * ** **+]" 1
1238 1 83 GLN H 1 84 GLN H 2.770 . 2.970 2.637 2.566 2.748 . 0 0 "[ . 1 . 2]" 1
1239 1 83 GLN HA 1 86 ARG H 4.060 . 4.260 3.522 3.346 3.812 . 0 0 "[ . 1 . 2]" 1
1240 1 83 GLN HA 1 87 LYS H 4.420 . 4.620 4.222 3.953 4.533 . 0 0 "[ . 1 . 2]" 1
1241 1 84 GLN QG 1 85 LEU H 4.390 . 4.590 4.277 4.141 4.385 . 0 0 "[ . 1 . 2]" 1
1242 1 83 GLN QG 1 84 GLN H 3.780 . 3.980 2.190 1.999 2.417 . 0 0 "[ . 1 . 2]" 1
1243 1 83 GLN QG 1 85 LEU H 5.050 . 5.250 4.610 4.479 4.731 . 0 0 "[ . 1 . 2]" 1
1244 1 84 GLN H 1 84 GLN QG 2.990 . 3.190 3.374 2.621 4.021 0.831 8 8 "[* * +** - * *]" 1
1245 1 84 GLN H 1 85 LEU H 2.780 . 2.980 2.658 2.627 2.776 . 0 0 "[ . 1 . 2]" 1
1246 1 84 GLN H 1 85 LEU HA 5.300 . 5.500 5.263 5.239 5.359 . 0 0 "[ . 1 . 2]" 1
1247 1 84 GLN H 1 84 GLN HB2 3.160 . 3.360 2.137 2.072 2.293 . 0 0 "[ . 1 . 2]" 1
1248 1 84 GLN H 1 84 GLN HB3 3.580 . 3.780 3.339 3.032 3.552 . 0 0 "[ . 1 . 2]" 1
1249 1 80 PHE HA 1 84 GLN H 5.500 . 5.700 4.432 4.013 4.788 . 0 0 "[ . 1 . 2]" 1
1250 1 84 GLN H 1 85 LEU HG 3.760 . 3.960 3.822 3.745 3.965 0.005 14 0 "[ . 1 . 2]" 1
1251 1 84 GLN H 1 87 LYS QE 5.500 . 5.700 7.218 4.844 8.637 2.937 1 16 "[+********- * *** * *]" 1
1252 1 84 GLN HA 1 86 ARG H 5.070 . 5.270 4.391 4.273 4.772 . 0 0 "[ . 1 . 2]" 1
1253 1 84 GLN HA 1 88 SER H 5.500 . 5.700 5.514 5.159 5.701 0.001 3 0 "[ . 1 . 2]" 1
1254 1 84 GLN HB3 1 85 LEU H 3.280 . 3.480 2.871 2.509 3.272 . 0 0 "[ . 1 . 2]" 1
1255 1 85 LEU HG 1 86 ARG H 3.090 . 3.290 2.399 2.032 2.609 . 0 0 "[ . 1 . 2]" 1
1256 1 85 LEU H 1 85 LEU QD . . 3.330 2.799 1.936 2.960 . 0 0 "[ . 1 . 2]" 1
1257 1 85 LEU H 1 85 LEU QB 2.920 . 3.120 2.649 2.591 2.935 . 0 0 "[ . 1 . 2]" 1
1258 1 85 LEU H 1 87 LYS H 4.000 . 4.200 4.023 3.862 4.127 . 0 0 "[ . 1 . 2]" 1
1259 1 85 LEU H 1 85 LEU HG 2.820 . 3.020 1.956 1.917 1.975 . 0 0 "[ . 1 . 2]" 1
1260 1 85 LEU H 1 88 SER H 5.500 . 5.700 5.365 5.146 5.539 . 0 0 "[ . 1 . 2]" 1
1261 1 83 GLN HA 1 85 LEU H 5.020 . 5.220 4.689 4.586 4.772 . 0 0 "[ . 1 . 2]" 1
1262 1 85 LEU HA 1 87 LYS H 4.680 . 4.880 3.939 3.868 4.048 . 0 0 "[ . 1 . 2]" 1
1263 1 85 LEU HA 1 88 SER H 3.970 . 4.170 3.662 3.451 3.835 . 0 0 "[ . 1 . 2]" 1
1264 1 86 ARG QG 1 87 LYS H 3.900 . 4.100 4.248 2.416 4.653 0.553 3 2 "[ + - 1 . 2]" 1
1265 1 18 ARG HG3 1 92 ALA H 4.250 . 4.450 3.675 2.995 4.251 . 0 0 "[ . 1 . 2]" 1
1266 1 85 LEU QD 1 86 ARG H 3.780 . 3.980 2.447 2.095 3.392 . 0 0 "[ . 1 . 2]" 1
1267 1 86 ARG H 1 86 ARG QG 2.880 . 3.080 3.547 2.250 4.035 0.955 10 13 "[ -**** +* * ** ***]" 1
1268 1 86 ARG H 1 86 ARG QD 4.220 . 4.420 4.335 3.512 4.767 0.347 3 0 "[ . 1 . 2]" 1
1269 1 86 ARG H 1 87 LYS H 2.730 . 2.930 2.563 2.492 2.621 . 0 0 "[ . 1 . 2]" 1
1270 1 86 ARG H 1 87 LYS HA 5.480 . 5.680 5.145 5.078 5.201 . 0 0 "[ . 1 . 2]" 1
1271 1 86 ARG H 1 88 SER H 4.460 . 4.660 4.191 4.093 4.250 . 0 0 "[ . 1 . 2]" 1
1272 1 86 ARG H 1 88 SER QB 5.500 . 5.700 5.300 5.097 5.441 . 0 0 "[ . 1 . 2]" 1
1273 1 86 ARG HA 1 88 SER H 3.830 . 4.030 3.762 3.570 3.950 . 0 0 "[ . 1 . 2]" 1
1274 1 86 ARG QB 1 89 GLY H 5.500 . 5.700 5.743 5.469 5.985 0.285 16 0 "[ . 1 . 2]" 1
1275 1 85 LEU QB 1 88 SER H 5.080 . 5.280 4.789 4.627 4.928 . 0 0 "[ . 1 . 2]" 1
1276 1 86 ARG QG 1 88 SER H 5.390 . 5.590 5.200 4.501 5.672 0.082 14 0 "[ . 1 . 2]" 1
1277 1 86 ARG QD 1 87 LYS H 4.720 . 4.920 4.914 4.087 5.592 0.672 17 1 "[ . 1 . + 2]" 1
1278 1 87 LYS H 1 87 LYS QG 4.020 . 4.220 3.599 2.589 4.044 . 0 0 "[ . 1 . 2]" 1
1279 1 87 LYS H 1 87 LYS QD 3.150 . 3.350 4.236 3.464 4.604 1.254 5 19 "[****+* ***********-*]" 1
1280 1 87 LYS H 1 88 SER H 2.660 . 2.860 2.620 2.553 2.652 . 0 0 "[ . 1 . 2]" 1
1281 1 87 LYS H 1 88 SER HA 5.250 . 5.450 5.153 5.076 5.183 . 0 0 "[ . 1 . 2]" 1
1282 1 87 LYS H 1 89 GLY H 5.360 . 5.560 5.270 5.023 5.463 . 0 0 "[ . 1 . 2]" 1
1283 1 87 LYS H 1 88 SER QB 5.500 . 5.700 4.626 4.444 4.768 . 0 0 "[ . 1 . 2]" 1
1284 1 87 LYS H 1 92 ALA MB 5.190 . 5.390 5.408 5.006 5.675 0.285 6 0 "[ . 1 . 2]" 1
1285 1 87 LYS QB 1 88 SER H 3.320 . 3.520 2.983 2.872 3.124 . 0 0 "[ . 1 . 2]" 1
1286 1 87 LYS QG 1 88 SER H 4.890 . 5.090 4.407 4.019 4.643 . 0 0 "[ . 1 . 2]" 1
1287 1 88 SER H 1 89 GLY H 3.640 . 3.840 3.188 3.010 3.305 . 0 0 "[ . 1 . 2]" 1
1288 1 88 SER H 1 90 LYS H 5.270 . 5.470 5.287 5.145 5.453 . 0 0 "[ . 1 . 2]" 1
1289 1 88 SER H 1 91 ASN H 5.500 . 5.700 5.526 5.394 5.627 . 0 0 "[ . 1 . 2]" 1
1290 1 88 SER HA 1 90 LYS H 5.500 . 5.700 3.895 3.741 4.279 . 0 0 "[ . 1 . 2]" 1
1291 1 88 SER HA 1 91 ASN H 5.500 . 5.700 4.340 4.102 4.650 . 0 0 "[ . 1 . 2]" 1
1292 1 88 SER QB 1 89 GLY H 3.440 . 3.640 2.014 1.955 2.176 . 0 0 "[ . 1 . 2]" 1
1293 1 88 SER QB 1 90 LYS H 3.860 . 4.060 2.621 2.451 2.865 . 0 0 "[ . 1 . 2]" 1
1294 1 88 SER QB 1 91 ASN H 4.150 . 4.350 2.106 2.032 2.225 . 0 0 "[ . 1 . 2]" 1
1295 1 88 SER QB 1 92 ALA H 5.500 . 5.700 3.313 3.141 3.495 . 0 0 "[ . 1 . 2]" 1
1296 1 88 SER QB 1 93 LYS H 5.500 . 5.700 4.850 4.701 4.934 . 0 0 "[ . 1 . 2]" 1
1297 1 89 GLY H 1 90 LYS H 3.920 . 4.120 2.897 2.737 3.084 . 0 0 "[ . 1 . 2]" 1
1298 1 89 GLY H 1 90 LYS QG 5.500 . 5.700 5.845 4.823 6.507 0.807 15 7 "[ * .* 1* * +- * 2]" 1
1299 1 89 GLY H 1 91 ASN H 4.230 . 4.430 3.576 3.455 3.719 . 0 0 "[ . 1 . 2]" 1
1300 1 89 GLY H 1 92 ALA HA 5.500 . 5.700 5.487 5.308 5.614 . 0 0 "[ . 1 . 2]" 1
1301 1 90 LYS H 1 90 LYS QG 3.610 . 3.810 3.927 2.620 4.350 0.540 15 2 "[ .- 1 + 2]" 1
1302 1 90 LYS H 1 90 LYS QD 4.360 . 4.560 4.870 4.454 5.284 0.724 19 6 "[ . ** - *.* +2]" 1
1303 1 90 LYS H 1 90 LYS QE 5.460 . 5.660 5.680 4.800 6.551 0.891 18 4 "[ . ** - + 2]" 1
1304 1 90 LYS H 1 91 ASN H 3.450 . 3.650 1.956 1.932 1.986 . 0 0 "[ . 1 . 2]" 1
1305 1 90 LYS H 1 91 ASN QB . . 4.980 3.777 3.449 4.340 . 0 0 "[ . 1 . 2]" 1
1306 1 90 LYS H 1 92 ALA HA 5.500 . 5.700 5.702 5.640 5.720 0.020 17 0 "[ . 1 . 2]" 1
1307 1 90 LYS QG 1 91 ASN H 4.040 . 4.240 4.409 3.578 4.713 0.473 5 0 "[ . 1 . 2]" 1
1308 1 91 ASN H 1 92 ALA H 3.420 . 3.620 2.808 2.580 2.977 . 0 0 "[ . 1 . 2]" 1
1309 1 91 ASN HA 1 93 LYS H 5.500 . 5.700 5.363 5.144 5.615 . 0 0 "[ . 1 . 2]" 1
1310 1 92 ALA H 1 93 LYS H 4.300 . 4.500 4.246 4.170 4.378 . 0 0 "[ . 1 . 2]" 1
1311 1 92 ALA H 1 93 LYS HA 5.500 . 5.700 4.931 4.847 4.999 . 0 0 "[ . 1 . 2]" 1
1312 1 16 LEU QD 1 92 ALA H 4.870 . 5.070 4.871 4.349 5.155 0.085 17 0 "[ . 1 . 2]" 1
1313 1 92 ALA MB 1 93 LYS H 3.640 . 3.840 3.384 3.261 3.481 . 0 0 "[ . 1 . 2]" 1
1314 1 93 LYS H 1 93 LYS QG . . 3.790 2.467 2.354 2.649 . 0 0 "[ . 1 . 2]" 1
1315 1 93 LYS H 1 93 LYS QD 4.300 . 4.500 3.563 3.351 4.049 . 0 0 "[ . 1 . 2]" 1
1316 1 93 LYS H 1 93 LYS QE 5.240 . 5.440 4.363 2.705 5.096 . 0 0 "[ . 1 . 2]" 1
1317 1 93 LYS H 1 94 ILE H 4.640 . 4.840 4.533 4.499 4.551 . 0 0 "[ . 1 . 2]" 1
1318 1 93 LYS H 1 94 ILE MD 4.450 . 4.650 4.676 3.791 5.727 1.077 17 7 "[*** . - * +* 2]" 1
1319 1 94 ILE H 1 94 ILE HB 2.920 . 3.120 2.800 2.732 2.828 . 0 0 "[ . 1 . 2]" 1
1320 1 94 ILE HB 1 95 THR H 4.000 . 4.200 4.033 3.942 4.127 . 0 0 "[ . 1 . 2]" 1
1321 1 93 LYS QG 1 94 ILE H 3.680 . 3.880 3.640 3.546 3.671 . 0 0 "[ . 1 . 2]" 1
1322 1 93 LYS QG 1 95 THR H 5.470 . 5.670 4.534 4.395 4.677 . 0 0 "[ . 1 . 2]" 1
1323 1 93 LYS QE 1 94 ILE H 5.310 . 5.510 5.595 5.043 5.998 0.488 8 0 "[ . 1 . 2]" 1
1324 1 94 ILE H 1 94 ILE QG 3.320 . 3.520 2.956 2.594 3.388 . 0 0 "[ . 1 . 2]" 1
1325 1 94 ILE H 1 94 ILE MD 3.600 . 3.800 3.203 2.245 4.128 0.328 3 0 "[ . 1 . 2]" 1
1326 1 94 ILE H 1 95 THR H 4.610 . 4.810 4.332 4.270 4.369 . 0 0 "[ . 1 . 2]" 1
1327 1 94 ILE H 1 95 THR HA 5.490 . 5.690 4.781 4.735 4.846 . 0 0 "[ . 1 . 2]" 1
1328 1 94 ILE QG 1 95 THR H 4.460 . 4.660 4.284 4.116 4.716 0.056 11 0 "[ . 1 . 2]" 1
1329 1 95 THR H 1 95 THR MG 3.690 . 3.890 3.702 2.124 3.827 . 0 0 "[ . 1 . 2]" 1
1330 1 95 THR H 1 96 ILE H 4.470 . 4.670 4.411 4.337 4.497 . 0 0 "[ . 1 . 2]" 1
1331 1 95 THR H 1 96 ILE HA 5.500 . 5.700 5.171 5.112 5.232 . 0 0 "[ . 1 . 2]" 1
1332 1 95 THR H 1 96 ILE MG 4.260 . 4.460 4.097 3.904 4.447 . 0 0 "[ . 1 . 2]" 1
1333 1 95 THR MG 1 96 ILE H 3.030 . 3.230 2.943 2.467 4.257 1.027 5 1 "[ + 1 . 2]" 1
1334 1 96 ILE H 1 96 ILE MD 2.950 . 3.150 2.876 2.182 3.663 0.513 14 1 "[ . 1 +. 2]" 1
1335 1 96 ILE H 1 97 ARG H 4.500 . 4.700 4.459 4.431 4.482 . 0 0 "[ . 1 . 2]" 1
1336 1 96 ILE H 1 97 ARG HD3 5.500 . 5.700 5.419 5.087 5.716 0.016 16 0 "[ . 1 . 2]" 1
1337 1 96 ILE MG 1 97 ARG H 3.800 . 4.000 3.460 3.115 3.683 . 0 0 "[ . 1 . 2]" 1
1338 1 96 ILE MD 1 97 ARG H 4.000 . 4.200 3.203 2.875 4.377 0.177 14 0 "[ . 1 . 2]" 1
1339 1 96 ILE MD 1 98 ARG H 3.990 . 4.190 4.059 3.644 5.735 1.545 14 1 "[ . 1 +. 2]" 1
1340 1 97 ARG H 1 97 ARG QG 3.410 . 3.610 2.647 2.048 3.350 . 0 0 "[ . 1 . 2]" 1
1341 1 97 ARG H 1 97 ARG HD2 4.790 . 4.990 3.734 2.998 4.449 . 0 0 "[ . 1 . 2]" 1
1342 1 97 ARG H 1 97 ARG HD3 5.150 . 5.350 2.724 2.226 3.099 . 0 0 "[ . 1 . 2]" 1
1343 1 97 ARG H 1 98 ARG H 4.410 . 4.610 4.389 4.345 4.426 . 0 0 "[ . 1 . 2]" 1
1344 1 64 ARG QB 1 97 ARG H 3.970 . 4.170 3.364 3.054 4.514 0.344 1 0 "[ . 1 . 2]" 1
1345 1 97 ARG H 1 98 ARG QG 4.960 . 5.160 4.647 3.541 6.218 1.058 10 7 "[** -. + *. * *]" 1
1346 1 97 ARG H 1 98 ARG HD3 5.500 . 5.700 5.141 3.996 5.707 0.007 13 0 "[ . 1 . 2]" 1
1347 1 97 ARG QG 1 98 ARG H 4.550 . 4.750 4.184 4.039 4.326 . 0 0 "[ . 1 . 2]" 1
1348 1 98 ARG H 1 98 ARG HD2 5.500 . 5.700 3.393 2.653 4.164 . 0 0 "[ . 1 . 2]" 1
1349 1 98 ARG H 1 98 ARG HD3 4.310 . 4.510 2.137 1.946 2.526 . 0 0 "[ . 1 . 2]" 1
1350 1 98 ARG H 1 99 LYS H 4.390 . 4.590 4.355 4.247 4.426 . 0 0 "[ . 1 . 2]" 1
1351 1 98 ARG H 1 99 LYS HA 5.500 . 5.700 4.764 4.688 4.890 . 0 0 "[ . 1 . 2]" 1
1352 1 98 ARG H 1 99 LYS HG2 5.390 . 5.590 5.392 4.806 5.603 0.013 18 0 "[ . 1 . 2]" 1
1353 1 98 ARG HA 1 100 LYS H 5.500 . 5.700 4.167 3.919 4.826 . 0 0 "[ . 1 . 2]" 1
1354 1 98 ARG HB3 1 99 LYS H 3.820 . 4.020 3.471 2.516 4.022 0.002 20 0 "[ . 1 . 2]" 1
1355 1 98 ARG HB2 1 99 LYS H 3.800 . 4.000 3.018 2.532 3.778 . 0 0 "[ . 1 . 2]" 1
1356 1 98 ARG QG 1 99 LYS H 4.530 . 4.730 4.220 3.421 4.722 . 0 0 "[ . 1 . 2]" 1
1357 1 98 ARG HD3 1 99 LYS H 5.230 . 5.430 5.113 4.498 5.436 0.006 20 0 "[ . 1 . 2]" 1
1358 1 99 LYS H 1 99 LYS HG2 3.640 . 3.840 2.904 2.032 3.439 . 0 0 "[ . 1 . 2]" 1
1359 1 99 LYS H 1 99 LYS HG3 3.180 . 3.380 2.301 1.917 3.013 . 0 0 "[ . 1 . 2]" 1
1360 1 99 LYS H 1 99 LYS HD3 5.000 . 5.200 4.825 4.485 5.136 . 0 0 "[ . 1 . 2]" 1
1361 1 99 LYS H 1 99 LYS HD2 5.000 . 5.200 4.587 3.821 5.027 . 0 0 "[ . 1 . 2]" 1
1362 1 99 LYS H 1 99 LYS HE3 5.500 . 5.700 4.691 3.891 5.593 . 0 0 "[ . 1 . 2]" 1
1363 1 99 LYS H 1 99 LYS HE2 5.500 . 5.700 4.921 3.678 5.706 0.006 11 0 "[ . 1 . 2]" 1
1364 1 99 LYS H 1 100 LYS H 3.710 . 3.910 2.015 1.851 2.572 . 0 0 "[ . 1 . 2]" 1
1365 1 99 LYS H 1 100 LYS HB2 5.500 . 5.700 4.360 3.733 5.609 . 0 0 "[ . 1 . 2]" 1
1366 1 99 LYS H 1 100 LYS HB3 5.500 . 5.700 5.005 3.844 5.519 . 0 0 "[ . 1 . 2]" 1
1367 1 99 LYS QB 1 100 LYS H 3.210 . 3.410 3.188 2.415 3.436 0.026 19 0 "[ . 1 . 2]" 1
1368 1 99 LYS HG2 1 100 LYS H 3.370 . 3.570 3.392 2.524 3.586 0.016 9 0 "[ . 1 . 2]" 1
1369 1 99 LYS HG3 1 100 LYS H 3.140 . 3.340 1.915 1.843 2.028 . 0 0 "[ . 1 . 2]" 1
1370 1 99 LYS HD3 1 100 LYS H 4.480 . 4.680 4.457 3.665 4.716 0.036 8 0 "[ . 1 . 2]" 1
1371 1 99 LYS HD2 1 100 LYS H 4.480 . 4.680 3.718 2.304 4.693 0.013 15 0 "[ . 1 . 2]" 1
1372 1 99 LYS HE3 1 100 LYS H 5.500 . 5.700 3.892 2.467 4.962 . 0 0 "[ . 1 . 2]" 1
1373 1 99 LYS HE2 1 100 LYS H 5.500 . 5.700 4.422 2.266 5.644 . 0 0 "[ . 1 . 2]" 1
1374 1 75 ASN H 1 75 ASN HB3 4.090 . 4.290 3.560 3.292 3.781 . 0 0 "[ . 1 . 2]" 1
1375 1 75 ASN H 1 75 ASN HB2 4.090 . 4.290 3.647 3.114 4.074 . 0 0 "[ . 1 . 2]" 1
1376 1 98 ARG H 1 98 ARG HB2 3.780 . 3.980 3.579 2.787 3.940 . 0 0 "[ . 1 . 2]" 1
1377 1 45 VAL H 1 45 VAL HB 3.470 . 3.670 3.284 2.819 3.709 0.039 7 0 "[ . 1 . 2]" 1
1378 1 26 ILE HB 1 27 ALA H 3.070 . 3.270 2.333 2.153 3.209 . 0 0 "[ . 1 . 2]" 1
1379 1 14 VAL H 1 14 VAL HB 3.580 . 3.780 2.907 2.676 3.702 . 0 0 "[ . 1 . 2]" 1
1380 1 14 VAL H 1 96 ILE HG13 4.590 . 4.790 4.652 4.245 4.801 0.011 5 0 "[ . 1 . 2]" 1
1381 1 11 GLN H 1 11 GLN QB 2.550 . 2.750 2.405 2.388 2.423 . 0 0 "[ . 1 . 2]" 1
1382 1 71 VAL H 1 71 VAL HB 2.720 . 2.920 2.644 2.599 2.732 . 0 0 "[ . 1 . 2]" 1
1383 1 81 ALA H 1 81 ALA MB 2.410 . 2.610 2.161 2.090 2.249 . 0 0 "[ . 1 . 2]" 1
1384 1 67 MET ME 1 71 VAL H 4.120 . 4.320 4.744 3.597 5.583 1.263 5 11 "[ - *+ **** *** * 2]" 1
1385 1 8 ILE H 1 99 LYS QD 3.400 . 3.600 3.637 2.742 4.301 0.701 5 2 "[- + 1 . 2]" 1
1386 1 8 ILE H 1 99 LYS QE 4.880 . 5.080 5.486 4.238 6.227 1.147 1 10 "[+** * * -* *. * *]" 1
1387 1 8 ILE MD 1 9 TRP QB 4.910 . 5.110 5.917 4.070 6.780 1.670 16 16 "[** *.**********+- *]" 1
1388 1 9 TRP H 1 99 LYS QD 5.290 . 5.490 4.259 3.280 5.128 . 0 0 "[ . 1 . 2]" 1
1389 1 9 TRP H 1 99 LYS QE 4.570 . 4.770 5.544 3.703 7.060 2.290 10 13 "[*** * **+-* ** **2]" 1
1390 1 9 TRP QB 1 10 GLU H 3.420 . 3.620 2.895 2.615 3.207 . 0 0 "[ . 1 . 2]" 1
1391 1 9 TRP QB 1 97 ARG QB 4.750 . 4.950 2.505 2.019 2.928 . 0 0 "[ . 1 . 2]" 1
1392 1 9 TRP QB 1 98 ARG H 4.020 . 4.220 3.815 3.081 4.837 0.617 11 1 "[ . 1+ . 2]" 1
1393 1 9 TRP QB 1 99 LYS H 5.340 . 5.540 4.299 3.441 5.698 0.158 11 0 "[ . 1 . 2]" 1
1394 1 10 GLU H 1 97 ARG QB 4.030 . 4.230 3.293 2.892 3.600 . 0 0 "[ . 1 . 2]" 1
1395 1 11 GLN QB 1 97 ARG QB 4.640 . 4.840 3.338 2.742 3.613 . 0 0 "[ . 1 . 2]" 1
1396 1 12 HIS HB2 1 14 VAL QG 5.320 . 5.520 4.018 3.533 5.003 . 0 0 "[ . 1 . 2]" 1
1397 1 14 VAL H 1 14 VAL QG 2.650 . 2.850 2.447 1.913 2.705 . 0 0 "[ . 1 . 2]" 1
1398 1 14 VAL H 1 59 LEU QD 3.970 . 4.170 4.501 4.054 5.207 1.037 8 3 "[ . + 1 - *. 2]" 1
1399 1 14 VAL HA 1 14 VAL QG 3.010 . 3.210 2.132 2.034 2.313 . 0 0 "[ . 1 . 2]" 1
1400 1 14 VAL HB 1 59 LEU QD 4.160 . 4.360 4.032 2.967 4.953 0.593 1 1 "[+ . 1 . 2]" 1
1401 1 14 VAL QG 1 15 THR H 2.970 . 3.170 2.195 1.934 3.303 0.133 4 0 "[ . 1 . 2]" 1
1402 1 14 VAL QG 1 16 LEU H 4.760 . 4.960 4.084 3.601 4.421 . 0 0 "[ . 1 . 2]" 1
1403 1 14 VAL QG 1 16 LEU HG 3.860 . 4.060 3.062 2.406 3.507 . 0 0 "[ . 1 . 2]" 1
1404 1 14 VAL QG 1 58 GLN HA 4.810 . 5.010 4.943 3.886 5.646 0.636 2 1 "[ + . 1 . 2]" 1
1405 1 14 VAL QG 1 94 ILE H 3.470 . 3.670 3.777 2.532 4.338 0.668 10 12 "[ * .*** +- * .*****]" 1
1406 1 14 VAL QG 1 94 ILE HB 3.760 . 3.960 4.396 2.760 5.186 1.226 6 13 "[ * .+** *- * ******]" 1
1407 1 14 VAL QG 1 96 ILE HG13 4.190 . 4.390 3.770 2.671 4.269 . 0 0 "[ . 1 . 2]" 1
1408 1 16 LEU H 1 91 ASN QB 5.340 . 5.540 5.900 5.388 6.271 0.731 13 8 "[** . *-1 *+*. * 2]" 1
1409 1 17 HIS QB 1 19 ALA H 5.340 . 5.540 5.462 5.074 6.052 0.512 15 1 "[ . 1 + 2]" 1
1410 1 17 HIS QB 1 90 LYS HA 4.930 . 5.130 3.873 3.531 4.808 . 0 0 "[ . 1 . 2]" 1
1411 1 17 HIS QB 1 91 ASN H 5.330 . 5.530 4.977 4.479 5.741 0.211 6 0 "[ . 1 . 2]" 1
1412 1 18 ARG H 1 18 ARG QD 4.900 . 5.100 4.158 3.828 4.592 . 0 0 "[ . 1 . 2]" 1
1413 1 18 ARG H 1 91 ASN QB 4.940 . 5.140 4.815 4.624 5.081 . 0 0 "[ . 1 . 2]" 1
1414 1 18 ARG QB 1 23 GLY QA 5.030 . 5.230 2.615 2.063 3.837 . 0 0 "[ . 1 . 2]" 1
1415 1 18 ARG HG2 1 23 GLY QA 4.030 . 4.230 3.733 2.891 3.991 . 0 0 "[ . 1 . 2]" 1
1416 1 18 ARG HG2 1 24 PHE QB 5.340 . 5.540 4.387 3.368 5.381 . 0 0 "[ . 1 . 2]" 1
1417 1 18 ARG QD 1 19 ALA H 5.340 . 5.540 4.741 3.748 5.543 0.003 10 0 "[ . 1 . 2]" 1
1418 1 18 ARG QD 1 24 PHE H 5.340 . 5.540 3.886 2.393 5.580 0.040 5 0 "[ . 1 . 2]" 1
1419 1 18 ARG QD 1 86 ARG H 5.340 . 5.540 5.673 4.921 6.643 1.103 8 4 "[* . + 1* - . 2]" 1
1420 1 18 ARG QD 1 88 SER H 5.340 . 5.540 4.533 3.699 5.843 0.303 11 0 "[ . 1 . 2]" 1
1421 1 18 ARG QD 1 90 LYS H 5.340 . 5.540 4.257 3.442 5.356 . 0 0 "[ . 1 . 2]" 1
1422 1 19 ALA H 1 22 PHE QB 5.210 . 5.410 4.696 3.834 5.486 0.076 14 0 "[ . 1 . 2]" 1
1423 1 21 GLY QA 1 23 GLY H 5.340 . 5.540 4.854 4.417 5.100 . 0 0 "[ . 1 . 2]" 1
1424 1 22 PHE H 1 23 GLY QA 4.190 . 4.390 3.905 3.589 4.360 . 0 0 "[ . 1 . 2]" 1
1425 1 22 PHE QB 1 23 GLY H 3.700 . 3.900 2.184 1.906 3.886 . 0 0 "[ . 1 . 2]" 1
1426 1 22 PHE QB 1 24 PHE H 4.510 . 4.710 4.134 3.565 4.615 . 0 0 "[ . 1 . 2]" 1
1427 1 22 PHE QB 1 25 GLY H 4.050 . 4.250 3.050 2.406 3.653 . 0 0 "[ . 1 . 2]" 1
1428 1 22 PHE QB 1 50 LEU HG 5.090 . 5.290 4.426 4.137 4.776 . 0 0 "[ . 1 . 2]" 1
1429 1 22 PHE QB 1 50 LEU MD1 4.530 . 4.730 2.346 1.935 3.063 . 0 0 "[ . 1 . 2]" 1
1430 1 23 GLY QA 1 25 GLY H 5.290 . 5.490 3.875 3.629 4.093 . 0 0 "[ . 1 . 2]" 1
1431 1 24 PHE QB 1 25 GLY H 4.200 . 4.400 3.015 2.655 3.417 . 0 0 "[ . 1 . 2]" 1
1432 1 24 PHE QB 1 26 ILE H 3.840 . 4.040 2.416 2.160 2.814 . 0 0 "[ . 1 . 2]" 1
1433 1 24 PHE QB 1 26 ILE MD 4.770 . 4.970 3.560 2.465 4.463 . 0 0 "[ . 1 . 2]" 1
1434 1 24 PHE QB 1 85 LEU QB 5.180 . 5.380 3.945 3.214 5.109 . 0 0 "[ . 1 . 2]" 1
1435 1 24 PHE QB 1 85 LEU QD 4.180 . 4.380 2.751 1.978 3.702 . 0 0 "[ . 1 . 2]" 1
1436 1 24 PHE QB 1 92 ALA MB 5.340 . 5.540 3.870 2.930 4.861 . 0 0 "[ . 1 . 2]" 1
1437 1 26 ILE HB 1 59 LEU QD 4.870 . 5.070 3.823 3.482 4.333 . 0 0 "[ . 1 . 2]" 1
1438 1 26 ILE MG 1 49 VAL QG 2.950 . 3.150 1.725 1.684 1.801 . 0 0 "[ . 1 . 2]" 1
1439 1 26 ILE HG12 1 59 LEU QD 4.550 . 4.750 2.232 1.830 2.867 . 0 0 "[ . 1 . 2]" 1
1440 1 26 ILE MD 1 59 LEU QD 3.120 . 3.320 2.037 1.767 2.742 . 0 0 "[ . 1 . 2]" 1
1441 1 27 ALA H 1 49 VAL QG 4.000 . 4.200 2.724 2.474 3.108 . 0 0 "[ . 1 . 2]" 1
1442 1 27 ALA MB 1 28 ILE QG 4.860 . 5.060 4.574 3.987 5.628 0.568 7 2 "[ . + 1 . - 2]" 1
1443 1 28 ILE H 1 28 ILE QG 3.650 . 3.850 2.459 1.935 4.000 0.150 7 0 "[ . 1 . 2]" 1
1444 1 28 ILE QG 1 82 VAL HA 4.630 . 4.830 3.655 2.614 5.323 0.493 17 0 "[ . 1 . 2]" 1
1445 1 28 ILE QG 1 82 VAL HB 4.280 . 4.480 4.124 2.008 6.156 1.676 7 6 "[ . +- 1 * * * *2]" 1
1446 1 28 ILE QG 1 82 VAL QG 3.920 . 4.120 3.054 1.897 5.001 0.881 17 1 "[ . 1 . + 2]" 1
1447 1 28 ILE QG 1 85 LEU QD 4.220 . 4.420 2.867 2.085 3.698 . 0 0 "[ . 1 . 2]" 1
1448 1 29 SER H 1 45 VAL QG 4.440 . 4.640 3.933 3.358 4.693 0.053 14 0 "[ . 1 . 2]" 1
1449 1 29 SER QB 1 45 VAL H 5.340 . 5.540 3.482 3.081 3.853 . 0 0 "[ . 1 . 2]" 1
1450 1 29 SER QB 1 45 VAL QG 4.540 . 4.740 2.856 1.958 4.009 . 0 0 "[ . 1 . 2]" 1
1451 1 29 SER QB 1 47 SER H 5.340 . 5.540 2.619 2.088 3.018 . 0 0 "[ . 1 . 2]" 1
1452 1 30 GLY H 1 45 VAL QG 5.410 . 5.610 5.151 4.199 6.193 0.583 4 2 "[ +. 1 . -]" 1
1453 1 30 GLY QA 1 44 ILE MD 4.800 . 5.000 3.230 1.944 4.673 . 0 0 "[ . 1 . 2]" 1
1454 1 30 GLY QA 1 45 VAL H 5.340 . 5.540 3.490 2.999 3.764 . 0 0 "[ . 1 . 2]" 1
1455 1 32 ARG H 1 33 ASP QB 4.950 . 5.150 4.402 4.279 4.809 . 0 0 "[ . 1 . 2]" 1
1456 1 32 ARG QD 1 33 ASP QB 4.760 . 4.960 3.723 1.981 6.382 1.422 7 3 "[ . + 1 * . -]" 1
1457 1 33 ASP QB 1 78 HIS H 5.340 . 5.540 5.032 4.324 5.768 0.228 3 0 "[ . 1 . 2]" 1
1458 1 39 SER HA 1 40 GLY QA 4.960 . 5.160 3.939 3.905 4.070 . 0 0 "[ . 1 . 2]" 1
1459 1 41 GLU H 1 41 GLU QG 3.740 . 3.940 2.582 2.222 3.444 . 0 0 "[ . 1 . 2]" 1
1460 1 41 GLU QG 1 43 SER H 3.970 . 4.170 4.212 2.568 5.219 1.049 13 7 "[- *. *1 +** *2]" 1
1461 1 43 SER QB 1 75 ASN H 5.340 . 5.540 5.335 4.433 6.119 0.579 2 1 "[ + . 1 . 2]" 1
1462 1 44 ILE H 1 74 ASP QB 5.340 . 5.540 5.062 4.270 5.545 0.005 2 0 "[ . 1 . 2]" 1
1463 1 45 VAL H 1 45 VAL QG 2.750 . 2.950 2.291 1.935 2.812 . 0 0 "[ . 1 . 2]" 1
1464 1 45 VAL QG 1 46 ILE H 2.680 . 2.880 2.318 1.871 3.147 0.267 19 0 "[ . 1 . 2]" 1
1465 1 45 VAL QG 1 46 ILE HB 3.710 . 3.910 3.991 3.290 4.827 0.917 16 9 "[ * - * *1*** .+ *2]" 1
1466 1 45 VAL QG 1 47 SER HA 4.170 . 4.370 4.065 3.507 4.439 0.069 14 0 "[ . 1 . 2]" 1
1467 1 45 VAL QG 1 47 SER QB 4.960 . 5.160 4.729 3.920 5.341 0.181 4 0 "[ . 1 . 2]" 1
1468 1 45 VAL QG 1 61 GLU QB 5.210 . 5.410 3.847 2.937 5.035 . 0 0 "[ . 1 . 2]" 1
1469 1 45 VAL QG 1 64 ARG QD 4.610 . 4.810 3.837 2.857 5.306 0.496 18 0 "[ . 1 . 2]" 1
1470 1 45 VAL QG 1 65 VAL H 3.190 . 3.390 3.404 2.195 4.284 0.894 2 3 "[ + *- 1 . 2]" 1
1471 1 46 ILE MD 1 59 LEU QD 3.290 . 3.490 3.066 1.932 5.586 2.096 12 2 "[ - 1 + . 2]" 1
1472 1 48 ASP H 1 49 VAL QG 4.940 . 5.140 3.994 3.838 4.118 . 0 0 "[ . 1 . 2]" 1
1473 1 49 VAL QG 1 51 LYS H 5.440 . 5.640 2.960 2.617 3.166 . 0 0 "[ . 1 . 2]" 1
1474 1 49 VAL QG 1 51 LYS HA 4.510 . 4.710 3.295 3.013 3.668 . 0 0 "[ . 1 . 2]" 1
1475 1 49 VAL QG 1 52 GLY H 4.780 . 4.980 4.895 4.713 5.098 0.118 12 0 "[ . 1 . 2]" 1
1476 1 49 VAL QG 1 56 GLU H 4.160 . 4.360 5.217 4.843 5.493 1.133 12 19 "[***-*******+* ******]" 1
1477 1 49 VAL QG 1 56 GLU QB 4.490 . 4.690 4.405 3.957 4.750 0.060 5 0 "[ . 1 . 2]" 1
1478 1 49 VAL QG 1 58 GLN H 4.580 . 4.780 4.362 3.829 4.737 . 0 0 "[ . 1 . 2]" 1
1479 1 50 LEU HB2 1 52 GLY QA 5.340 . 5.540 3.776 3.694 3.827 . 0 0 "[ . 1 . 2]" 1
1480 1 51 LYS H 1 52 GLY QA 4.940 . 5.140 4.567 4.523 4.748 . 0 0 "[ . 1 . 2]" 1
1481 1 51 LYS QB 1 52 GLY QA 4.840 . 5.040 4.044 3.966 4.358 . 0 0 "[ . 1 . 2]" 1
1482 1 51 LYS QG 1 52 GLY QA 5.340 . 5.540 4.784 3.669 5.443 . 0 0 "[ . 1 . 2]" 1
1483 1 58 GLN H 1 59 LEU QD 4.590 . 4.790 4.391 3.389 4.883 0.093 14 0 "[ . 1 . 2]" 1
1484 1 58 GLN HB2 1 59 LEU QD 3.970 . 4.170 3.465 1.973 4.467 0.297 13 0 "[ . 1 . 2]" 1
1485 1 59 LEU H 1 59 LEU QD 3.520 . 3.720 3.148 2.294 3.462 . 0 0 "[ . 1 . 2]" 1
1486 1 59 LEU HA 1 59 LEU QD 3.320 . 3.520 2.432 1.956 3.086 . 0 0 "[ . 1 . 2]" 1
1487 1 59 LEU QB 1 59 LEU QD 2.750 . 2.950 1.882 1.762 1.947 . 0 0 "[ . 1 . 2]" 1
1488 1 59 LEU QD 1 60 GLN H 4.080 . 4.280 3.846 3.211 4.357 0.077 8 0 "[ . 1 . 2]" 1
1489 1 59 LEU QD 1 63 ASP QB 4.760 . 4.960 3.422 2.890 4.108 . 0 0 "[ . 1 . 2]" 1
1490 1 59 LEU QD 1 94 ILE H 3.590 . 3.790 3.852 3.475 4.187 0.397 14 0 "[ . 1 . 2]" 1
1491 1 59 LEU QD 1 94 ILE QG 3.210 . 3.410 2.830 2.108 3.279 . 0 0 "[ . 1 . 2]" 1
1492 1 59 LEU QD 1 94 ILE MD 2.610 . 2.810 2.110 1.683 3.416 0.606 8 3 "[ . +*1- . 2]" 1
1493 1 59 LEU QD 1 96 ILE H 4.560 . 4.760 4.290 3.814 5.008 0.248 8 0 "[ . 1 . 2]" 1
1494 1 59 LEU QD 1 96 ILE HB 4.530 . 4.730 3.781 3.398 4.543 . 0 0 "[ . 1 . 2]" 1
1495 1 59 LEU QD 1 96 ILE HG12 3.140 . 3.340 2.286 1.865 3.604 0.264 8 0 "[ . 1 . 2]" 1
1496 1 67 MET H 1 68 VAL QG 3.900 . 4.100 4.170 3.410 4.926 0.826 8 9 "[ ***.-*+ 1 ** . * 2]" 1
1497 1 67 MET HA 1 68 VAL QG 4.680 . 4.880 3.400 3.079 3.590 . 0 0 "[ . 1 . 2]" 1
1498 1 67 MET HG2 1 71 VAL QG 4.480 . 4.680 4.429 3.557 5.004 0.324 18 0 "[ . 1 . 2]" 1
1499 1 68 VAL HB 1 71 VAL QG 4.900 . 5.100 4.403 2.459 5.379 0.279 8 0 "[ . 1 . 2]" 1
1500 1 68 VAL QG 1 69 ASN H 2.980 . 3.180 2.794 2.415 3.608 0.428 20 0 "[ . 1 . 2]" 1
1501 1 68 VAL QG 1 69 ASN HB3 4.500 . 4.700 3.541 3.191 4.069 . 0 0 "[ . 1 . 2]" 1
1502 1 68 VAL QG 1 71 VAL QG 3.960 . 4.160 3.120 1.752 4.100 . 0 0 "[ . 1 . 2]" 1
1503 1 68 VAL QG 1 73 MET HA 4.770 . 4.970 4.164 3.713 4.729 . 0 0 "[ . 1 . 2]" 1
1504 1 68 VAL QG 1 73 MET HB2 3.840 . 4.040 3.644 2.517 4.420 0.380 13 0 "[ . 1 . 2]" 1
1505 1 68 VAL QG 1 73 MET QG 3.910 . 4.110 1.873 1.635 2.187 . 0 0 "[ . 1 . 2]" 1
1506 1 68 VAL QG 1 84 GLN H 5.320 . 5.520 4.808 4.189 5.683 0.163 19 0 "[ . 1 . 2]" 1
1507 1 68 VAL QG 1 84 GLN HA 5.440 . 5.640 5.071 4.409 5.792 0.152 19 0 "[ . 1 . 2]" 1
1508 1 68 VAL QG 1 85 LEU H 4.710 . 4.910 3.529 3.052 4.223 . 0 0 "[ . 1 . 2]" 1
1509 1 68 VAL QG 1 85 LEU HA 3.310 . 3.510 3.428 2.946 4.670 1.160 10 3 "[ . + . * -]" 1
1510 1 68 VAL QG 1 85 LEU QB 3.630 . 3.830 2.388 1.829 3.627 . 0 0 "[ . 1 . 2]" 1
1511 1 68 VAL QG 1 93 LYS H 4.790 . 4.990 4.560 4.040 5.762 0.772 20 3 "[ . - . * +]" 1
1512 1 68 VAL QG 1 94 ILE H 5.040 . 5.240 4.591 4.082 5.064 . 0 0 "[ . 1 . 2]" 1
1513 1 68 VAL QG 1 95 THR H 4.000 . 4.200 3.551 2.734 4.248 0.048 6 0 "[ . 1 . 2]" 1
1514 1 69 ASN H 1 71 VAL QG 4.890 . 5.090 5.001 4.485 5.375 0.285 8 0 "[ . 1 . 2]" 1
1515 1 69 ASN HB2 1 71 VAL QG 5.060 . 5.260 4.167 3.692 4.454 . 0 0 "[ . 1 . 2]" 1
1516 1 69 ASN HB3 1 71 VAL QG 4.630 . 4.830 3.039 2.758 3.340 . 0 0 "[ . 1 . 2]" 1
1517 1 70 GLY H 1 71 VAL QG 4.290 . 4.490 4.250 4.058 4.444 . 0 0 "[ . 1 . 2]" 1
1518 1 70 GLY HA3 1 71 VAL QG 5.370 . 5.570 3.866 3.587 4.558 . 0 0 "[ . 1 . 2]" 1
1519 1 71 VAL QG 1 72 SER H 2.810 . 3.010 2.386 2.010 2.732 . 0 0 "[ . 1 . 2]" 1
1520 1 71 VAL QG 1 72 SER HA 4.710 . 4.910 4.012 3.701 4.212 . 0 0 "[ . 1 . 2]" 1
1521 1 71 VAL QG 1 72 SER QB 4.690 . 4.890 3.620 3.364 4.101 . 0 0 "[ . 1 . 2]" 1
1522 1 71 VAL QG 1 84 GLN H 5.290 . 5.490 4.941 4.475 5.379 . 0 0 "[ . 1 . 2]" 1
1523 1 71 VAL QG 1 84 GLN HA 5.080 . 5.280 4.297 3.940 4.825 . 0 0 "[ . 1 . 2]" 1
1524 1 71 VAL QG 1 84 GLN HB3 4.070 . 4.270 3.098 2.294 3.945 . 0 0 "[ . 1 . 2]" 1
1525 1 72 SER QB 1 74 ASP H 4.390 . 4.590 2.722 2.394 3.434 . 0 0 "[ . 1 . 2]" 1
1526 1 72 SER QB 1 75 ASN H 5.340 . 5.540 4.184 3.741 4.627 . 0 0 "[ . 1 . 2]" 1
1527 1 73 MET H 1 74 ASP QB 4.350 . 4.550 3.985 3.606 4.527 . 0 0 "[ . 1 . 2]" 1
1528 1 73 MET HB2 1 74 ASP QB 5.200 . 5.400 5.078 4.627 5.735 0.335 14 0 "[ . 1 . 2]" 1
1529 1 74 ASP H 1 74 ASP QB 3.150 . 3.350 2.647 2.286 3.038 . 0 0 "[ . 1 . 2]" 1
1530 1 74 ASP H 1 75 ASN QB 5.240 . 5.440 4.238 3.813 4.836 . 0 0 "[ . 1 . 2]" 1
1531 1 74 ASP QB 1 75 ASN H 4.160 . 4.360 3.747 3.179 4.029 . 0 0 "[ . 1 . 2]" 1
1532 1 75 ASN H 1 75 ASN QB 3.560 . 3.760 3.179 2.903 3.437 . 0 0 "[ . 1 . 2]" 1
1533 1 75 ASN QB 1 76 VAL QG 5.030 . 5.230 3.627 3.221 4.118 . 0 0 "[ . 1 . 2]" 1
1534 1 78 HIS H 1 82 VAL QG 5.440 . 5.640 5.443 5.143 5.686 0.046 10 0 "[ . 1 . 2]" 1
1535 1 78 HIS HA 1 82 VAL QG 4.640 . 4.840 3.989 3.445 4.424 . 0 0 "[ . 1 . 2]" 1
1536 1 79 ALA H 1 82 VAL QG 4.140 . 4.340 3.938 3.816 4.159 . 0 0 "[ . 1 . 2]" 1
1537 1 79 ALA HA 1 82 VAL QG 3.380 . 3.580 2.191 1.836 2.741 . 0 0 "[ . 1 . 2]" 1
1538 1 79 ALA MB 1 82 VAL QG 4.300 . 4.500 3.479 3.119 4.000 . 0 0 "[ . 1 . 2]" 1
1539 1 80 PHE H 1 82 VAL QG 4.500 . 4.700 4.288 3.865 4.786 0.086 7 0 "[ . 1 . 2]" 1
1540 1 81 ALA H 1 82 VAL QG 3.630 . 3.830 3.741 3.606 3.969 0.139 9 0 "[ . 1 . 2]" 1
1541 1 82 VAL H 1 82 VAL QG 2.400 . 2.600 2.056 1.957 2.162 . 0 0 "[ . 1 . 2]" 1
1542 1 82 VAL HA 1 82 VAL QG 2.860 . 3.060 2.197 2.043 2.326 . 0 0 "[ . 1 . 2]" 1
1543 1 82 VAL QG 1 83 GLN H 3.250 . 3.450 2.532 1.865 3.309 . 0 0 "[ . 1 . 2]" 1
1544 1 82 VAL QG 1 83 GLN HA 4.320 . 4.520 3.265 2.940 3.714 . 0 0 "[ . 1 . 2]" 1
1545 1 82 VAL QG 1 83 GLN QB 4.850 . 5.050 3.478 2.822 4.273 . 0 0 "[ . 1 . 2]" 1
1546 1 82 VAL QG 1 84 GLN H 4.620 . 4.820 4.120 3.816 4.479 . 0 0 "[ . 1 . 2]" 1
1547 1 82 VAL QG 1 85 LEU H 4.720 . 4.920 4.382 4.270 4.507 . 0 0 "[ . 1 . 2]" 1
1548 1 82 VAL QG 1 85 LEU QB 4.870 . 5.070 4.623 4.492 4.821 . 0 0 "[ . 1 . 2]" 1
1549 1 82 VAL QG 1 85 LEU QD 3.370 . 3.570 2.391 2.213 2.681 . 0 0 "[ . 1 . 2]" 1
1550 1 82 VAL QG 1 86 ARG H 4.680 . 4.880 3.765 3.532 3.991 . 0 0 "[ . 1 . 2]" 1
1551 1 82 VAL QG 1 86 ARG QG 5.160 . 5.360 3.284 2.039 4.401 . 0 0 "[ . 1 . 2]" 1
1552 1 90 LYS QD 1 91 ASN QB 5.340 . 5.540 5.161 3.458 6.180 0.640 19 2 "[ . 1 . +-]" 1
1553 1 91 ASN QB 1 93 LYS H 4.850 . 5.050 5.055 4.707 5.473 0.423 12 0 "[ . 1 . 2]" 1
1554 1 97 ARG QB 1 98 ARG H 3.280 . 3.480 2.842 2.717 3.028 . 0 0 "[ . 1 . 2]" 1
1555 1 97 ARG QB 1 98 ARG HA 4.390 . 4.590 4.060 3.980 4.208 . 0 0 "[ . 1 . 2]" 1
1556 1 99 LYS H 1 99 LYS QD 4.360 . 4.560 4.168 3.652 4.407 . 0 0 "[ . 1 . 2]" 1
1557 1 99 LYS H 1 99 LYS QE 4.750 . 4.950 4.127 3.611 4.575 . 0 0 "[ . 1 . 2]" 1
1558 1 99 LYS HA 1 99 LYS QD 4.760 . 4.960 4.237 4.055 4.371 . 0 0 "[ . 1 . 2]" 1
1559 1 99 LYS QE 1 99 LYS HG3 3.630 . 3.830 2.427 1.966 3.323 . 0 0 "[ . 1 . 2]" 1
1560 1 99 LYS HG3 1 100 LYS QB 4.850 . 5.050 3.836 2.798 4.758 . 0 0 "[ . 1 . 2]" 1
1561 1 99 LYS QD 1 100 LYS H 3.830 . 4.030 3.506 2.282 4.154 0.124 19 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 35.959
_Distance_constraint_stats_list.Viol_max 0.061
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0093
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 HIS 0.490 0.061 10 0 "[ . 1 . 2]"
1 14 VAL 0.116 0.020 20 0 "[ . 1 . 2]"
1 16 LEU 0.052 0.008 10 0 "[ . 1 . 2]"
1 27 ALA 0.045 0.011 14 0 "[ . 1 . 2]"
1 29 SER 0.073 0.016 14 0 "[ . 1 . 2]"
1 32 ARG 0.059 0.011 14 0 "[ . 1 . 2]"
1 44 ILE 0.205 0.043 6 0 "[ . 1 . 2]"
1 45 VAL 0.073 0.016 14 0 "[ . 1 . 2]"
1 47 SER 0.045 0.011 14 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.203 0.028 4 0 "[ . 1 . 2]"
1 66 ALA 0.091 0.021 18 0 "[ . 1 . 2]"
1 67 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.030 0.008 1 0 "[ . 1 . 2]"
1 69 ASN 0.121 0.016 18 0 "[ . 1 . 2]"
1 71 VAL 0.030 0.008 1 0 "[ . 1 . 2]"
1 73 MET 0.205 0.043 6 0 "[ . 1 . 2]"
1 76 VAL 0.059 0.011 14 0 "[ . 1 . 2]"
1 77 GLU 0.117 0.027 9 0 "[ . 1 . 2]"
1 78 HIS 0.034 0.014 20 0 "[ . 1 . 2]"
1 79 ALA 0.138 0.022 10 0 "[ . 1 . 2]"
1 81 ALA 0.117 0.027 9 0 "[ . 1 . 2]"
1 82 VAL 0.058 0.014 20 0 "[ . 1 . 2]"
1 83 GLN 0.138 0.022 10 0 "[ . 1 . 2]"
1 86 ARG 0.024 0.009 12 0 "[ . 1 . 2]"
1 92 ALA 0.052 0.008 10 0 "[ . 1 . 2]"
1 93 LYS 0.121 0.016 18 0 "[ . 1 . 2]"
1 94 ILE 0.116 0.020 20 0 "[ . 1 . 2]"
1 95 THR 0.091 0.021 18 0 "[ . 1 . 2]"
1 96 ILE 0.490 0.061 10 0 "[ . 1 . 2]"
1 97 ARG 0.203 0.028 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 LEU H 1 92 ALA O 2.000 . 2.000 1.979 1.890 2.005 0.005 4 0 "[ . 1 . 2]" 2
2 1 29 SER H 1 45 VAL O 2.000 . 2.000 1.960 1.744 2.016 0.016 14 0 "[ . 1 . 2]" 2
3 1 32 ARG H 1 76 VAL O 2.000 . 2.000 1.986 1.853 2.011 0.011 14 0 "[ . 1 . 2]" 2
4 1 44 ILE H 1 73 MET O 2.000 . 2.000 2.001 1.906 2.043 0.043 6 0 "[ . 1 . 2]" 2
5 1 29 SER O 1 45 VAL H 2.000 . 2.000 1.886 1.703 2.013 0.013 19 0 "[ . 1 . 2]" 2
6 1 27 ALA O 1 47 SER H 2.000 . 2.000 1.907 1.724 2.011 0.011 14 0 "[ . 1 . 2]" 2
7 1 60 GLN O 1 63 ASP H 2.000 . 2.000 1.862 1.746 2.000 . 0 0 "[ . 1 . 2]" 2
8 1 64 ARG H 1 97 ARG O 2.000 . 2.000 2.004 1.889 2.028 0.028 4 0 "[ . 1 . 2]" 2
9 1 66 ALA H 1 95 THR O 2.000 . 2.000 1.948 1.714 2.021 0.021 18 0 "[ . 1 . 2]" 2
10 1 68 VAL H 1 71 VAL O 2.000 . 2.000 1.651 1.584 1.727 . 0 0 "[ . 1 . 2]" 2
11 1 69 ASN H 1 93 LYS O 2.000 . 2.000 1.990 1.883 2.016 0.016 18 0 "[ . 1 . 2]" 2
12 1 68 VAL O 1 71 VAL H 2.000 . 2.000 1.929 1.797 2.008 0.008 1 0 "[ . 1 . 2]" 2
13 1 66 ALA O 1 73 MET H 2.000 . 2.000 1.723 1.670 1.863 . 0 0 "[ . 1 . 2]" 2
14 1 77 GLU O 1 81 ALA H 2.000 . 2.000 1.959 1.752 2.027 0.027 9 0 "[ . 1 . 2]" 2
15 1 78 HIS O 1 82 VAL H 2.000 . 2.000 1.927 1.744 2.014 0.014 20 0 "[ . 1 . 2]" 2
16 1 79 ALA O 1 83 GLN H 2.000 . 2.000 2.000 1.917 2.022 0.022 10 0 "[ . 1 . 2]" 2
17 1 82 VAL O 1 86 ARG H 2.000 . 2.000 1.921 1.684 2.009 0.009 12 0 "[ . 1 . 2]" 2
18 1 16 LEU O 1 92 ALA H 2.000 . 2.000 1.946 1.815 2.008 0.008 10 0 "[ . 1 . 2]" 2
19 1 14 VAL O 1 94 ILE H 2.000 . 2.000 1.996 1.912 2.020 0.020 20 0 "[ . 1 . 2]" 2
20 1 67 MET O 1 95 THR H 2.000 . 2.000 1.693 1.631 1.815 . 0 0 "[ . 1 . 2]" 2
21 1 12 HIS O 1 96 ILE H 2.000 . 2.000 2.024 2.002 2.061 0.061 10 0 "[ . 1 . 2]" 2
22 1 64 ARG O 1 97 ARG H 2.000 . 2.000 1.850 1.681 2.004 0.004 5 0 "[ . 1 . 2]" 2
23 1 16 LEU N 1 92 ALA O 3.000 . 3.000 2.885 2.749 2.935 . 0 0 "[ . 1 . 2]" 2
24 1 29 SER N 1 45 VAL O 3.000 . 3.000 2.645 2.579 2.793 . 0 0 "[ . 1 . 2]" 2
25 1 32 ARG N 1 76 VAL O 3.000 . 3.000 2.915 2.795 2.973 . 0 0 "[ . 1 . 2]" 2
26 1 44 ILE N 1 73 MET O 3.000 . 3.000 2.927 2.773 2.998 . 0 0 "[ . 1 . 2]" 2
27 1 29 SER O 1 45 VAL N 3.000 . 3.000 2.827 2.658 2.969 . 0 0 "[ . 1 . 2]" 2
28 1 27 ALA O 1 47 SER N 3.000 . 3.000 2.782 2.592 2.955 . 0 0 "[ . 1 . 2]" 2
29 1 60 GLN O 1 63 ASP N 3.000 . 3.000 2.689 2.595 2.830 . 0 0 "[ . 1 . 2]" 2
30 1 64 ARG N 1 97 ARG O 3.000 . 3.000 2.851 2.586 2.963 . 0 0 "[ . 1 . 2]" 2
31 1 66 ALA N 1 95 THR O 3.000 . 3.000 2.897 2.688 2.979 . 0 0 "[ . 1 . 2]" 2
32 1 68 VAL N 1 71 VAL O 3.000 . 3.000 2.607 2.559 2.672 . 0 0 "[ . 1 . 2]" 2
33 1 69 ASN N 1 93 LYS O 3.000 . 3.000 2.847 2.714 2.939 . 0 0 "[ . 1 . 2]" 2
34 1 68 VAL O 1 71 VAL N 3.000 . 3.000 2.784 2.627 2.894 . 0 0 "[ . 1 . 2]" 2
35 1 66 ALA O 1 73 MET N 3.000 . 3.000 2.675 2.586 2.840 . 0 0 "[ . 1 . 2]" 2
36 1 77 GLU O 1 81 ALA N 3.000 . 3.000 2.867 2.688 2.956 . 0 0 "[ . 1 . 2]" 2
37 1 78 HIS O 1 82 VAL N 3.000 . 3.000 2.864 2.685 2.975 . 0 0 "[ . 1 . 2]" 2
38 1 79 ALA O 1 83 GLN N 3.000 . 3.000 2.941 2.888 2.978 . 0 0 "[ . 1 . 2]" 2
39 1 82 VAL O 1 86 ARG N 3.000 . 3.000 2.812 2.608 2.955 . 0 0 "[ . 1 . 2]" 2
40 1 16 LEU O 1 92 ALA N 3.000 . 3.000 2.838 2.697 2.932 . 0 0 "[ . 1 . 2]" 2
41 1 14 VAL O 1 94 ILE N 3.000 . 3.000 2.849 2.768 2.931 . 0 0 "[ . 1 . 2]" 2
42 1 67 MET O 1 95 THR N 3.000 . 3.000 2.625 2.564 2.752 . 0 0 "[ . 1 . 2]" 2
43 1 12 HIS O 1 96 ILE N 3.000 . 3.000 2.939 2.860 3.005 0.005 19 0 "[ . 1 . 2]" 2
44 1 64 ARG O 1 97 ARG N 3.000 . 3.000 2.707 2.595 2.901 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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