NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
550020 |
2lqq   |
18325 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqq
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 1377
_Distance_constraint_stats_list.Viol_count 3668
_Distance_constraint_stats_list.Viol_total 17958.039
_Distance_constraint_stats_list.Viol_max 2.105
_Distance_constraint_stats_list.Viol_rms 0.1464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0326
_Distance_constraint_stats_list.Viol_average_violations_only 0.2448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 VAL 9.352 1.054 7 6 "[ * . + 1*- . * *2]"
1 3 THR 10.629 1.054 7 7 "[ - .*+ 1** . * *2]"
1 4 ALA 8.174 0.994 2 2 "[ + . - 1 . 2]"
1 5 ALA 1.003 0.083 5 0 "[ . 1 . 2]"
1 6 LEU 15.471 0.926 7 3 "[ . + 1 - * 2]"
1 7 THR 13.888 0.669 9 6 "[ . *+** .* - 2]"
1 8 ILE 18.647 1.035 2 7 "[ + ** * * .* -]"
1 9 TYR 55.911 2.030 16 20 [***************+***-]
1 10 THR 74.745 2.030 16 20 [-**************+****]
1 11 THR 17.516 1.401 5 9 "[ - +* **1 * ** *]"
1 12 SER 24.072 1.918 12 16 "[*-****** 1*+**.* ***]"
1 13 TRP 12.841 1.337 4 6 "[ * +. * 1 * . * -]"
1 14 CYS 7.132 1.401 5 5 "[ + **1 * -]"
1 16 TYR 17.141 1.060 5 7 "[* + * 1 - ** *2]"
1 17 CYS 39.227 1.299 15 15 "[*** **** - ** +* ***]"
1 18 LEU 17.907 1.583 5 10 "[ * + **** - . ** *]"
1 19 ARG 25.009 1.661 2 15 "[*+* ****-1 ** ** ***]"
1 20 LEU 37.503 1.352 1 14 "[+** -*** 1 ** ** ***]"
1 21 LYS 94.092 1.661 2 18 "[*+* ********* ******]"
1 22 THR 17.203 1.065 6 13 "[ * *+* *** **.*** -]"
1 23 ALA 18.393 1.101 12 11 "[ * *** 1 +**.*** -]"
1 24 LEU 6.500 0.580 13 1 "[ . 1 + . 2]"
1 25 THR 1.100 0.173 13 0 "[ . 1 . 2]"
1 26 ALA 1.278 0.360 12 0 "[ . 1 . 2]"
1 27 ASN 9.211 1.101 12 3 "[ - . * 1 + . 2]"
1 28 ARG 13.738 0.833 7 6 "[ *. + * * - *]"
1 29 ILE 13.614 0.717 17 6 "[ .* * 1* -. +* 2]"
1 30 ALA 0.771 0.195 7 0 "[ . 1 . 2]"
1 31 TYR 29.389 0.862 1 17 "[+** *****1**- ******]"
1 32 ASP 8.611 0.458 10 0 "[ . 1 . 2]"
1 33 GLU 17.355 1.284 19 2 "[ . 1- . +2]"
1 34 VAL 51.833 1.918 2 20 [*+*****-************]
1 35 ASP 12.949 1.500 8 3 "[ . + 1 -. *2]"
1 36 ILE 39.804 0.885 8 15 "[** ****+*1* **** *-]"
1 37 GLU 56.158 1.918 2 20 [*+***-**************]
1 38 HIS 2.655 0.186 5 0 "[ . 1 . 2]"
1 39 ASN 39.880 1.500 8 8 "[* *- + * *. * *2]"
1 40 ARG 15.099 1.350 9 5 "[ * . +1* . - *]"
1 41 ALA 11.688 1.350 9 4 "[ * . *+1 -. 2]"
1 42 ALA 8.513 0.679 14 2 "[ . 1 +. -2]"
1 43 ALA 8.373 0.665 10 3 "[- * + . 2]"
1 44 GLU 17.146 0.759 13 8 "[ * . 1 *+ * ****]"
1 45 PHE 8.416 0.605 7 2 "[ . + 1 . -]"
1 46 VAL 13.009 0.665 9 2 "[ . +1 . -]"
1 47 GLY 13.509 2.105 12 9 "[ **.* -*1 + *** 2]"
1 48 SER 4.288 0.817 10 6 "[ * .*** + - . 2]"
1 49 VAL 10.760 0.949 6 8 "[* * .+** * - .* 2]"
1 50 ASN 19.327 1.200 3 11 "[- +*.** *1 ** .* * *]"
1 51 GLY 11.789 0.809 6 11 "[ -**.+ 1 ** **** *]"
1 52 GLY 21.493 0.980 12 11 "[ ***.* *1 +* *** *]"
1 53 ASN 22.912 1.384 4 14 "[ **+*** *1 -**** **2]"
1 54 ARG 22.647 2.105 12 14 "[* *****-*1 + **** *]"
1 55 THR 16.759 1.384 4 9 "[ **+* *1 -*.* * 2]"
1 56 VAL 66.233 1.583 5 20 [****+-**************]
1 57 PRO 68.844 1.814 18 17 "[-******* *** *** +**]"
1 58 THR 52.633 1.583 5 20 [****+-**************]
1 59 VAL 37.184 1.448 11 19 "[* ********+*********]"
1 60 LYS 8.912 0.605 7 1 "[ . + 1 . 2]"
1 61 PHE 24.005 0.904 7 4 "[ . + 1 - * * 2]"
1 62 ALA 0.256 0.256 7 0 "[ . 1 . 2]"
1 63 ASP 2.757 0.405 4 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 5.663 0.641 17 1 "[ . 1 . + 2]"
1 66 THR 11.858 1.448 11 3 "[ . *1+ .* 2]"
1 67 LEU 31.584 0.818 17 20 [**********-*****+***]
1 68 THR 6.587 0.718 1 4 "[+ . 1 *. -* 2]"
1 69 ASN 2.106 0.416 17 0 "[ . 1 . 2]"
1 70 PRO 11.490 0.602 1 4 "[+* . 1 *- . 2]"
1 71 SER 19.084 0.885 18 5 "[ * . 1** -. + 2]"
1 72 ALA 0.337 0.127 7 0 "[ . 1 . 2]"
1 73 ASP 5.649 0.474 10 0 "[ . 1 . 2]"
1 74 GLU 16.215 0.885 18 5 "[ * . 1** -. + 2]"
1 75 VAL 5.467 0.636 8 1 "[ . + 1 . 2]"
1 76 LYS 16.596 0.922 10 10 "[ * *. **+ *-* * *]"
1 77 ALA 4.904 0.290 7 0 "[ . 1 . 2]"
1 78 LYS 13.734 0.699 6 5 "[ *+ * - * 2]"
1 79 LEU 11.547 0.264 4 0 "[ . 1 . 2]"
1 80 VAL 65.382 2.019 8 20 [**-****+************]
1 81 LYS 30.097 0.883 5 20 [**-*+***************]
1 82 ILE 8.587 0.453 13 0 "[ . 1 . 2]"
1 83 ALA 12.638 1.513 15 10 "[* * - * * * *+* * 2]"
1 84 GLY 7.951 0.927 18 8 "[ ** . * * **-+ 2]"
1 85 LEU 20.740 1.513 15 13 "[ ***- ** * * *+*** 2]"
1 86 GLU 13.740 1.168 7 7 "[* *- + 1 * ** 2]"
1 87 HIS 30.808 2.019 8 12 "[ * *. *+ * *****- *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL HA 1 2 VAL QG 2.730 . 3.730 2.247 2.146 2.404 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL HA 1 3 THR H 2.410 . 3.410 2.686 2.041 3.551 0.141 12 0 "[ . 1 . 2]" 1
3 1 2 VAL HB 1 3 THR H 3.700 2.700 4.700 3.503 1.925 4.473 0.775 19 3 "[ . 1 - . * +2]" 1
4 1 2 VAL QG 1 3 THR H 3.770 2.770 4.770 2.949 1.716 3.556 1.054 7 2 "[ . + 1- . 2]" 1
5 1 2 VAL QG 1 3 THR HA 3.530 2.530 4.530 3.906 3.184 4.393 . 0 0 "[ . 1 . 2]" 1
6 1 2 VAL QG 1 3 THR HB 4.210 3.210 5.210 4.659 3.270 5.258 0.048 15 0 "[ . 1 . 2]" 1
7 1 2 VAL QG 1 4 ALA H 4.280 3.280 5.280 3.710 2.286 5.124 0.994 2 2 "[ + . - 1 . 2]" 1
8 1 2 VAL QG 1 4 ALA HA 4.500 3.500 5.500 4.660 3.646 5.580 0.080 13 0 "[ . 1 . 2]" 1
9 1 3 THR H 1 3 THR HB 3.100 2.100 4.100 3.143 2.508 4.069 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR H 1 3 THR MG 3.650 2.650 4.650 3.221 1.972 4.019 0.678 6 2 "[ - .+ 1 . 2]" 1
11 1 3 THR HA 1 3 THR MG 2.580 . 3.580 2.445 2.171 3.242 . 0 0 "[ . 1 . 2]" 1
12 1 3 THR HA 1 4 ALA H 2.280 . 3.280 2.725 2.026 3.565 0.285 13 0 "[ . 1 . 2]" 1
13 1 3 THR HB 1 4 ALA H 3.250 2.250 4.250 3.706 2.473 4.438 0.188 6 0 "[ . 1 . 2]" 1
14 1 3 THR MG 1 4 ALA H 3.410 2.410 4.410 3.595 2.600 4.309 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA H 1 4 ALA MB 2.120 . 3.120 2.344 2.205 2.538 . 0 0 "[ . 1 . 2]" 1
16 1 4 ALA HA 1 5 ALA H 2.080 . 3.080 2.249 2.108 2.527 . 0 0 "[ . 1 . 2]" 1
17 1 4 ALA HA 1 5 ALA MB 3.100 2.100 4.100 4.022 3.880 4.130 0.030 9 0 "[ . 1 . 2]" 1
18 1 4 ALA MB 1 5 ALA H 2.570 . 3.570 2.989 2.149 3.636 0.066 16 0 "[ . 1 . 2]" 1
19 1 4 ALA MB 1 6 LEU H 2.870 . 3.870 2.885 2.243 4.209 0.339 7 0 "[ . 1 . 2]" 1
20 1 4 ALA MB 1 31 TYR HA 3.430 2.430 4.430 2.765 2.340 4.437 0.090 15 0 "[ . 1 . 2]" 1
21 1 4 ALA MB 1 32 ASP H 3.890 2.890 4.890 2.903 2.432 3.790 0.458 10 0 "[ . 1 . 2]" 1
22 1 5 ALA H 1 5 ALA MB 2.240 . 3.240 2.262 2.207 2.343 . 0 0 "[ . 1 . 2]" 1
23 1 5 ALA H 1 6 LEU H 2.450 . 3.450 2.436 2.147 2.790 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA HA 1 79 LEU QD 4.440 3.440 5.440 4.694 4.454 5.245 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA MB 1 6 LEU H 2.310 . 3.310 3.061 2.192 3.343 0.033 4 0 "[ . 1 . 2]" 1
26 1 5 ALA MB 1 61 PHE QD 4.500 3.500 5.500 4.423 3.455 5.521 0.045 12 0 "[ . 1 . 2]" 1
27 1 5 ALA MB 1 79 LEU MD1 3.290 2.290 4.290 2.427 2.223 3.911 0.067 20 0 "[ . 1 . 2]" 1
28 1 5 ALA MB 1 79 LEU QD 2.560 . 3.560 2.361 2.216 2.882 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA MB 1 79 LEU MD2 3.290 2.290 4.290 4.059 2.966 4.347 0.057 15 0 "[ . 1 . 2]" 1
30 1 5 ALA MB 1 79 LEU HG 3.570 2.570 4.570 4.172 3.318 4.653 0.083 5 0 "[ . 1 . 2]" 1
31 1 5 ALA MB 1 82 ILE MD 2.770 . 3.770 2.329 1.839 2.949 . 0 0 "[ . 1 . 2]" 1
32 1 6 LEU H 1 6 LEU MD1 3.540 2.540 4.540 3.848 2.401 4.252 0.139 12 0 "[ . 1 . 2]" 1
33 1 6 LEU H 1 6 LEU QD 2.980 . 3.980 2.920 1.613 3.901 0.367 7 0 "[ . 1 . 2]" 1
34 1 6 LEU H 1 6 LEU MD2 3.540 2.540 4.540 3.400 1.614 4.599 0.926 7 1 "[ . + 1 . 2]" 1
35 1 6 LEU H 1 7 THR H 3.750 2.750 4.750 4.243 3.938 4.518 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 31 TYR HA 3.120 2.120 4.120 3.072 2.572 3.928 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU H 1 31 TYR QB 4.410 3.410 5.410 4.285 3.899 4.917 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU H 1 32 ASP H 3.890 2.890 4.890 3.990 3.584 4.888 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 7 THR H 1.970 . 2.970 2.128 2.008 2.284 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU HA 1 61 PHE QD 4.180 3.180 5.180 4.272 3.368 4.981 . 0 0 "[ . 1 . 2]" 1
41 1 6 LEU QB 1 6 LEU QD 1.640 . 2.640 1.899 1.851 2.062 . 0 0 "[ . 1 . 2]" 1
42 1 6 LEU QB 1 32 ASP H 4.340 3.340 5.340 3.776 3.034 4.812 0.306 17 0 "[ . 1 . 2]" 1
43 1 6 LEU QB 1 59 VAL QG 2.560 . 3.560 2.602 1.865 3.737 0.177 18 0 "[ . 1 . 2]" 1
44 1 6 LEU QB 1 61 PHE QD 3.990 2.990 4.990 4.305 2.868 5.084 0.122 8 0 "[ . 1 . 2]" 1
45 1 6 LEU HB2 1 6 LEU MD1 2.820 . 3.820 2.294 2.132 3.162 . 0 0 "[ . 1 . 2]" 1
46 1 6 LEU HB2 1 6 LEU MD2 2.820 . 3.820 2.754 2.293 3.171 . 0 0 "[ . 1 . 2]" 1
47 1 6 LEU HB2 1 7 THR H 3.080 2.080 4.080 3.897 2.967 4.512 0.432 10 0 "[ . 1 . 2]" 1
48 1 6 LEU HB3 1 6 LEU MD1 2.820 . 3.820 2.744 2.248 3.202 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU HB3 1 6 LEU MD2 2.820 . 3.820 2.315 2.199 3.200 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU HB3 1 7 THR H 3.080 2.080 4.080 3.675 2.947 4.131 0.051 10 0 "[ . 1 . 2]" 1
51 1 6 LEU QD 1 7 THR H 3.190 2.190 4.190 3.684 2.424 4.338 0.148 6 0 "[ . 1 . 2]" 1
52 1 6 LEU QD 1 29 ILE MG 2.470 . 3.470 1.975 1.783 2.369 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU QD 1 31 TYR HA 4.030 3.030 5.030 3.288 2.957 3.759 0.073 19 0 "[ . 1 . 2]" 1
54 1 6 LEU QD 1 31 TYR QB 2.930 . 3.930 2.156 1.945 2.679 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU QD 1 31 TYR QD 3.600 2.600 4.600 3.454 3.272 4.013 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU QD 1 32 ASP H 3.800 2.800 4.800 4.445 4.037 4.866 0.066 3 0 "[ . 1 . 2]" 1
57 1 6 LEU QD 1 59 VAL HB 4.320 3.320 5.320 3.898 3.516 4.607 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU QD 1 59 VAL QG 2.070 . 3.070 2.124 1.720 2.721 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU QD 1 61 PHE H 4.440 3.440 5.440 5.134 4.045 6.344 0.904 7 3 "[ . + 1 - * 2]" 1
60 1 6 LEU QD 1 61 PHE QD 2.930 . 3.930 2.870 2.567 3.624 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU QD 1 61 PHE QE 2.730 . 3.730 2.501 2.327 2.755 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 61 PHE HZ 3.610 2.610 4.610 3.378 3.102 3.777 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 75 VAL MG1 2.030 . 3.030 1.991 1.859 2.329 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 79 LEU QD 2.200 . 3.200 1.970 1.708 2.462 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU MD1 1 61 PHE QD 3.680 2.680 4.680 3.576 2.616 4.690 0.064 13 0 "[ . 1 . 2]" 1
66 1 6 LEU MD1 1 61 PHE QE 3.410 2.410 4.410 2.913 2.370 3.876 0.040 19 0 "[ . 1 . 2]" 1
67 1 6 LEU MD1 1 75 VAL MG1 2.520 . 3.520 2.367 1.923 3.024 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU MD2 1 61 PHE QD 3.680 2.680 4.680 3.853 2.578 4.704 0.102 14 0 "[ . 1 . 2]" 1
69 1 6 LEU MD2 1 61 PHE QE 3.410 2.410 4.410 3.157 2.365 4.299 0.045 9 0 "[ . 1 . 2]" 1
70 1 6 LEU MD2 1 75 VAL MG1 2.520 . 3.520 2.539 1.879 3.392 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU HG 1 61 PHE QD 4.500 3.500 5.500 5.032 3.439 5.610 0.110 7 0 "[ . 1 . 2]" 1
72 1 7 THR H 1 7 THR HB 2.380 . 3.380 2.551 2.419 2.630 . 0 0 "[ . 1 . 2]" 1
73 1 7 THR H 1 7 THR MG 3.400 2.400 4.400 3.784 3.725 3.829 . 0 0 "[ . 1 . 2]" 1
74 1 7 THR H 1 8 ILE H 3.700 2.700 4.700 4.241 4.033 4.386 . 0 0 "[ . 1 . 2]" 1
75 1 7 THR H 1 59 VAL HA 3.870 2.870 4.870 4.621 4.219 5.025 0.155 11 0 "[ . 1 . 2]" 1
76 1 7 THR H 1 59 VAL HB 4.500 3.500 5.500 5.801 5.286 6.169 0.669 9 6 "[ . *+** .* - 2]" 1
77 1 7 THR H 1 59 VAL QG 3.690 2.690 4.690 3.138 2.784 3.599 . 0 0 "[ . 1 . 2]" 1
78 1 7 THR H 1 60 LYS H 2.700 . 3.700 3.095 2.857 3.405 . 0 0 "[ . 1 . 2]" 1
79 1 7 THR H 1 60 LYS HB3 3.620 2.620 4.620 3.465 2.982 3.847 . 0 0 "[ . 1 . 2]" 1
80 1 7 THR H 1 61 PHE HA 4.080 3.080 5.080 3.641 3.339 4.156 . 0 0 "[ . 1 . 2]" 1
81 1 7 THR HA 1 8 ILE H 1.960 . 2.960 2.183 2.128 2.221 . 0 0 "[ . 1 . 2]" 1
82 1 7 THR HA 1 32 ASP H 2.670 . 3.670 2.838 2.268 3.262 . 0 0 "[ . 1 . 2]" 1
83 1 7 THR HA 1 34 VAL H 4.500 3.500 5.500 5.569 5.282 5.917 0.417 3 0 "[ . 1 . 2]" 1
84 1 7 THR HB 1 8 ILE H 4.290 3.290 5.290 4.241 4.059 4.339 . 0 0 "[ . 1 . 2]" 1
85 1 7 THR HB 1 9 TYR QE 3.360 2.360 4.360 4.186 3.673 4.429 0.069 4 0 "[ . 1 . 2]" 1
86 1 7 THR HB 1 60 LYS H 3.180 2.180 4.180 3.204 2.779 3.691 . 0 0 "[ . 1 . 2]" 1
87 1 7 THR HB 1 60 LYS HB2 3.470 2.470 4.470 3.677 3.421 4.148 . 0 0 "[ . 1 . 2]" 1
88 1 7 THR HB 1 60 LYS HB3 3.010 2.010 4.010 2.058 1.858 2.432 0.152 4 0 "[ . 1 . 2]" 1
89 1 7 THR MG 1 8 ILE H 2.550 . 3.550 2.998 2.533 3.220 . 0 0 "[ . 1 . 2]" 1
90 1 7 THR MG 1 9 TYR H 4.150 3.150 5.150 4.695 4.146 4.961 . 0 0 "[ . 1 . 2]" 1
91 1 7 THR MG 1 9 TYR QD 3.370 2.370 4.370 4.189 3.533 4.449 0.079 7 0 "[ . 1 . 2]" 1
92 1 7 THR MG 1 9 TYR QE 2.930 . 3.930 3.631 3.028 3.945 0.015 7 0 "[ . 1 . 2]" 1
93 1 7 THR MG 1 32 ASP H 3.710 2.710 4.710 4.437 3.879 4.889 0.179 4 0 "[ . 1 . 2]" 1
94 1 7 THR MG 1 32 ASP QB 3.220 2.220 4.220 3.346 2.216 4.090 0.004 11 0 "[ . 1 . 2]" 1
95 1 7 THR MG 1 34 VAL H 3.380 2.380 4.380 4.144 3.876 4.546 0.166 17 0 "[ . 1 . 2]" 1
96 1 7 THR MG 1 34 VAL HB 3.420 2.420 4.420 4.339 4.123 4.443 0.023 11 0 "[ . 1 . 2]" 1
97 1 7 THR MG 1 34 VAL QG 2.840 . 2.930 2.010 1.879 2.123 . 0 0 "[ . 1 . 2]" 1
98 1 8 ILE H 1 8 ILE HB 2.740 . 3.740 2.584 2.510 2.678 . 0 0 "[ . 1 . 2]" 1
99 1 8 ILE H 1 8 ILE MD 4.110 3.110 5.110 4.078 3.895 4.292 . 0 0 "[ . 1 . 2]" 1
100 1 8 ILE H 1 8 ILE HG12 3.680 2.680 4.680 3.917 3.718 4.148 . 0 0 "[ . 1 . 2]" 1
101 1 8 ILE H 1 8 ILE QG 2.940 . 3.940 2.794 2.551 3.082 . 0 0 "[ . 1 . 2]" 1
102 1 8 ILE H 1 8 ILE HG13 3.680 2.680 4.680 2.861 2.598 3.178 0.082 15 0 "[ . 1 . 2]" 1
103 1 8 ILE H 1 8 ILE MG 2.890 . 3.890 3.817 3.767 3.883 . 0 0 "[ . 1 . 2]" 1
104 1 8 ILE H 1 9 TYR QE 4.500 3.500 5.500 5.945 5.680 6.142 0.642 8 7 "[ * ** + * .* -]" 1
105 1 8 ILE H 1 31 TYR QD 4.500 3.500 5.500 4.110 3.547 4.830 . 0 0 "[ . 1 . 2]" 1
106 1 8 ILE H 1 32 ASP H 3.240 2.240 4.240 3.392 3.086 3.648 . 0 0 "[ . 1 . 2]" 1
107 1 8 ILE H 1 33 GLU HA 2.660 . 3.660 2.733 2.472 3.154 . 0 0 "[ . 1 . 2]" 1
108 1 8 ILE H 1 33 GLU QB 4.500 3.500 5.500 4.220 3.969 4.628 . 0 0 "[ . 1 . 2]" 1
109 1 8 ILE H 1 34 VAL H 3.490 2.490 4.490 4.059 3.844 4.418 . 0 0 "[ . 1 . 2]" 1
110 1 8 ILE H 1 59 VAL HA 4.210 3.210 5.210 4.793 4.648 4.944 . 0 0 "[ . 1 . 2]" 1
111 1 8 ILE HA 1 9 TYR H 1.980 . 2.980 2.105 2.033 2.215 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE HA 1 9 TYR QD 3.710 2.710 4.710 3.488 3.222 3.823 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE HA 1 60 LYS H 3.830 2.830 4.830 3.346 3.005 3.568 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE HB 1 9 TYR H 3.420 2.420 4.420 4.083 3.968 4.204 . 0 0 "[ . 1 . 2]" 1
115 1 8 ILE HB 1 33 GLU QB 3.100 2.100 4.100 3.201 2.413 3.781 . 0 0 "[ . 1 . 2]" 1
116 1 8 ILE HB 1 34 VAL H 4.500 3.500 5.500 4.528 4.167 4.899 . 0 0 "[ . 1 . 2]" 1
117 1 8 ILE MD 1 8 ILE MG 2.120 . 3.120 1.912 1.881 1.946 . 0 0 "[ . 1 . 2]" 1
118 1 8 ILE MD 1 10 THR MG 3.640 2.640 4.640 3.922 3.664 4.135 . 0 0 "[ . 1 . 2]" 1
119 1 8 ILE MD 1 20 LEU QB 3.840 2.840 4.840 4.594 4.058 4.885 0.045 13 0 "[ . 1 . 2]" 1
120 1 8 ILE MD 1 20 LEU QD 2.630 . 3.630 2.936 2.365 3.496 . 0 0 "[ . 1 . 2]" 1
121 1 8 ILE MD 1 21 LYS H 4.500 3.500 5.500 5.083 4.734 5.666 0.166 9 0 "[ . 1 . 2]" 1
122 1 8 ILE MD 1 21 LYS HA 3.530 2.530 4.530 3.646 2.901 4.458 . 0 0 "[ . 1 . 2]" 1
123 1 8 ILE MD 1 21 LYS QD 4.250 3.250 5.250 4.827 3.736 5.265 0.015 9 0 "[ . 1 . 2]" 1
124 1 8 ILE MD 1 21 LYS QG 4.500 3.500 5.500 3.700 2.465 4.586 1.035 2 1 "[ + . 1 . 2]" 1
125 1 8 ILE MD 1 24 LEU MD1 2.450 . 3.450 1.976 1.828 2.214 . 0 0 "[ . 1 . 2]" 1
126 1 8 ILE MD 1 31 TYR QB 3.190 2.190 4.190 2.323 2.164 2.679 0.026 17 0 "[ . 1 . 2]" 1
127 1 8 ILE MD 1 31 TYR QD 3.090 2.090 4.090 2.727 2.449 2.885 . 0 0 "[ . 1 . 2]" 1
128 1 8 ILE MD 1 31 TYR QE 3.770 2.770 4.770 3.642 3.263 3.846 . 0 0 "[ . 1 . 2]" 1
129 1 8 ILE MD 1 57 PRO QB 4.140 3.140 5.140 4.599 4.183 4.759 . 0 0 "[ . 1 . 2]" 1
130 1 8 ILE MD 1 59 VAL QG 3.050 2.050 4.050 3.030 2.803 3.350 . 0 0 "[ . 1 . 2]" 1
131 1 8 ILE QG 1 24 LEU MD1 3.370 2.370 4.370 3.515 3.214 3.834 . 0 0 "[ . 1 . 2]" 1
132 1 8 ILE QG 1 31 TYR QB 2.940 . 3.940 2.349 2.208 2.556 . 0 0 "[ . 1 . 2]" 1
133 1 8 ILE QG 1 32 ASP H 4.090 3.090 5.090 3.902 3.511 4.460 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE QG 1 60 LYS H 4.340 3.340 5.340 3.949 3.481 4.406 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE MG 1 9 TYR H 2.930 . 3.930 2.507 2.326 2.692 . 0 0 "[ . 1 . 2]" 1
136 1 8 ILE MG 1 10 THR MG 2.100 . 3.100 1.939 1.807 2.069 . 0 0 "[ . 1 . 2]" 1
137 1 8 ILE MG 1 17 CYS QB 3.640 2.640 4.640 4.144 3.659 4.561 . 0 0 "[ . 1 . 2]" 1
138 1 8 ILE MG 1 31 TYR QB 4.200 3.200 5.200 4.282 4.033 4.602 . 0 0 "[ . 1 . 2]" 1
139 1 8 ILE MG 1 31 TYR QD 3.210 2.210 4.210 4.105 3.848 4.235 0.025 4 0 "[ . 1 . 2]" 1
140 1 8 ILE MG 1 33 GLU H 4.500 3.500 5.500 5.835 5.645 6.000 0.500 5 0 "[ . 1 . 2]" 1
141 1 8 ILE MG 1 33 GLU HA 2.810 . 3.810 3.852 3.748 3.899 0.089 18 0 "[ . 1 . 2]" 1
142 1 8 ILE MG 1 33 GLU QB 3.370 2.370 4.370 3.545 3.005 3.918 . 0 0 "[ . 1 . 2]" 1
143 1 8 ILE MG 1 34 VAL H 3.510 2.510 4.510 4.392 4.215 4.514 0.004 11 0 "[ . 1 . 2]" 1
144 1 8 ILE MG 1 57 PRO QB 2.900 2.680 3.900 3.505 3.313 3.594 . 0 0 "[ . 1 . 2]" 1
145 1 9 TYR H 1 9 TYR QB 2.410 . 3.410 2.333 2.228 2.443 . 0 0 "[ . 1 . 2]" 1
146 1 9 TYR H 1 9 TYR QD 2.720 . 3.720 2.453 2.244 2.624 . 0 0 "[ . 1 . 2]" 1
147 1 9 TYR H 1 9 TYR QE 4.050 3.050 5.050 4.455 4.306 4.736 . 0 0 "[ . 1 . 2]" 1
148 1 9 TYR H 1 10 THR H 3.490 2.490 4.490 4.424 4.027 4.532 0.042 10 0 "[ . 1 . 2]" 1
149 1 9 TYR H 1 10 THR HB 3.920 2.920 4.920 6.766 6.468 6.950 2.030 16 20 [**********-****+****] 1
150 1 9 TYR H 1 10 THR MG 3.740 2.740 4.740 4.055 3.862 4.229 . 0 0 "[ . 1 . 2]" 1
151 1 9 TYR H 1 56 VAL QG 3.800 2.800 4.800 4.717 4.338 5.480 0.680 11 3 "[ . 1+ - . * 2]" 1
152 1 9 TYR H 1 57 PRO QB 4.300 3.300 5.300 5.481 5.245 6.132 0.832 11 1 "[ . 1+ . 2]" 1
153 1 9 TYR H 1 58 THR H 2.780 . 3.780 3.275 2.990 3.721 . 0 0 "[ . 1 . 2]" 1
154 1 9 TYR H 1 58 THR HB 3.750 2.750 4.750 3.680 3.398 4.021 . 0 0 "[ . 1 . 2]" 1
155 1 9 TYR H 1 59 VAL H 4.330 3.330 5.330 4.979 4.692 5.161 . 0 0 "[ . 1 . 2]" 1
156 1 9 TYR H 1 59 VAL HA 2.980 . 3.980 3.370 3.042 3.641 . 0 0 "[ . 1 . 2]" 1
157 1 9 TYR HA 1 9 TYR QD 2.830 . 3.830 2.903 2.732 3.089 . 0 0 "[ . 1 . 2]" 1
158 1 9 TYR HA 1 10 THR H 1.870 . 2.870 2.215 2.148 2.265 . 0 0 "[ . 1 . 2]" 1
159 1 9 TYR HA 1 10 THR MG 3.470 2.470 4.470 3.988 3.732 4.363 . 0 0 "[ . 1 . 2]" 1
160 1 9 TYR HA 1 34 VAL H 2.740 . 3.740 2.755 2.444 2.937 . 0 0 "[ . 1 . 2]" 1
161 1 9 TYR HA 1 34 VAL HB 3.720 2.720 4.720 2.665 2.572 2.755 0.148 8 0 "[ . 1 . 2]" 1
162 1 9 TYR HA 1 36 ILE MG 3.180 2.180 4.180 3.893 3.541 4.141 . 0 0 "[ . 1 . 2]" 1
163 1 9 TYR QB 1 10 THR H 2.910 . 3.910 3.392 3.131 3.842 . 0 0 "[ . 1 . 2]" 1
164 1 9 TYR QB 1 36 ILE MD 3.590 2.590 4.590 2.495 2.440 2.568 0.150 5 0 "[ . 1 . 2]" 1
165 1 9 TYR QB 1 36 ILE MG 2.630 . 3.630 3.409 3.200 3.638 0.008 15 0 "[ . 1 . 2]" 1
166 1 9 TYR QB 1 46 VAL QG 3.010 2.010 4.010 2.494 2.030 2.866 . 0 0 "[ . 1 . 2]" 1
167 1 9 TYR QB 1 56 VAL QG 2.880 . 3.880 3.249 2.606 3.871 . 0 0 "[ . 1 . 2]" 1
168 1 9 TYR QB 1 58 THR H 2.800 . 3.800 2.766 2.464 3.743 . 0 0 "[ . 1 . 2]" 1
169 1 9 TYR QB 1 58 THR HB 3.190 2.190 4.190 2.393 2.138 2.913 0.052 5 0 "[ . 1 . 2]" 1
170 1 9 TYR QB 1 58 THR MG 3.440 2.440 4.440 3.768 3.514 4.211 . 0 0 "[ . 1 . 2]" 1
171 1 9 TYR QD 1 10 THR H 3.810 2.810 4.810 4.325 3.944 4.810 0.000 11 0 "[ . 1 . 2]" 1
172 1 9 TYR QD 1 34 VAL H 4.010 3.010 5.010 4.663 4.368 4.949 . 0 0 "[ . 1 . 2]" 1
173 1 9 TYR QD 1 34 VAL HB 2.420 . 3.420 2.688 2.300 3.168 . 0 0 "[ . 1 . 2]" 1
174 1 9 TYR QD 1 34 VAL QG 3.230 2.230 3.640 2.608 2.395 2.844 . 0 0 "[ . 1 . 2]" 1
175 1 9 TYR QD 1 36 ILE H 4.400 3.400 5.400 4.550 4.175 4.907 . 0 0 "[ . 1 . 2]" 1
176 1 9 TYR QD 1 36 ILE MD 3.600 2.600 4.600 2.893 2.586 3.637 0.014 10 0 "[ . 1 . 2]" 1
177 1 9 TYR QD 1 36 ILE MG 2.140 . 3.140 2.124 1.956 2.409 . 0 0 "[ . 1 . 2]" 1
178 1 9 TYR QD 1 42 ALA MB 3.200 2.200 4.200 3.821 3.386 4.108 . 0 0 "[ . 1 . 2]" 1
179 1 9 TYR QD 1 46 VAL QG 2.930 . 3.930 2.421 2.148 2.619 . 0 0 "[ . 1 . 2]" 1
180 1 9 TYR QD 1 58 THR H 3.830 2.830 4.830 3.824 3.321 5.329 0.499 11 0 "[ . 1 . 2]" 1
181 1 9 TYR QD 1 58 THR HB 3.180 2.180 4.180 2.588 2.182 4.166 . 0 0 "[ . 1 . 2]" 1
182 1 9 TYR QD 1 58 THR MG 3.270 2.270 4.270 2.946 2.453 4.066 . 0 0 "[ . 1 . 2]" 1
183 1 9 TYR QD 1 60 LYS HB2 3.590 2.590 4.590 4.140 2.729 4.596 0.006 14 0 "[ . 1 . 2]" 1
184 1 9 TYR QE 1 34 VAL HB 3.470 2.470 4.470 3.891 3.390 4.210 . 0 0 "[ . 1 . 2]" 1
185 1 9 TYR QE 1 34 VAL QG 3.030 2.030 3.710 2.389 2.168 2.599 . 0 0 "[ . 1 . 2]" 1
186 1 9 TYR QE 1 36 ILE MG 3.230 2.230 4.230 3.141 2.727 3.463 . 0 0 "[ . 1 . 2]" 1
187 1 9 TYR QE 1 42 ALA MB 2.290 . 3.290 2.766 2.145 3.313 0.023 20 0 "[ . 1 . 2]" 1
188 1 9 TYR QE 1 45 PHE QD 2.940 . 3.940 3.098 2.589 3.557 . 0 0 "[ . 1 . 2]" 1
189 1 9 TYR QE 1 45 PHE QE 3.720 2.720 4.720 3.569 2.866 3.915 . 0 0 "[ . 1 . 2]" 1
190 1 9 TYR QE 1 46 VAL QG 3.640 2.640 4.640 3.120 2.889 3.514 . 0 0 "[ . 1 . 2]" 1
191 1 9 TYR QE 1 60 LYS H 3.550 2.550 4.550 3.661 2.867 4.353 . 0 0 "[ . 1 . 2]" 1
192 1 9 TYR QE 1 60 LYS HB2 2.660 . 3.660 2.254 2.007 2.558 . 0 0 "[ . 1 . 2]" 1
193 1 9 TYR QE 1 60 LYS HB3 3.020 2.020 4.020 3.146 2.373 3.526 . 0 0 "[ . 1 . 2]" 1
194 1 9 TYR QE 1 60 LYS QD 3.420 2.420 4.420 3.290 2.405 4.429 0.015 13 0 "[ . 1 . 2]" 1
195 1 9 TYR QE 1 60 LYS QE 4.340 3.340 5.340 4.394 3.322 5.137 0.018 15 0 "[ . 1 . 2]" 1
196 1 10 THR H 1 10 THR MG 2.630 . 3.630 3.213 3.052 3.481 . 0 0 "[ . 1 . 2]" 1
197 1 10 THR H 1 11 THR H 3.800 2.800 4.800 4.377 4.285 4.441 . 0 0 "[ . 1 . 2]" 1
198 1 10 THR H 1 11 THR HA 4.050 3.050 5.050 4.870 4.703 5.024 . 0 0 "[ . 1 . 2]" 1
199 1 10 THR H 1 33 GLU QB 4.230 3.230 5.230 3.701 3.192 4.399 0.038 9 0 "[ . 1 . 2]" 1
200 1 10 THR H 1 34 VAL H 2.910 . 3.910 3.089 2.822 3.622 . 0 0 "[ . 1 . 2]" 1
201 1 10 THR H 1 34 VAL HB 3.800 2.800 4.800 3.524 3.091 3.877 . 0 0 "[ . 1 . 2]" 1
202 1 10 THR H 1 34 VAL QG 3.980 2.980 4.980 3.875 3.550 4.255 . 0 0 "[ . 1 . 2]" 1
203 1 10 THR H 1 36 ILE MD 3.040 2.040 4.040 3.214 2.758 3.698 . 0 0 "[ . 1 . 2]" 1
204 1 10 THR H 1 36 ILE QG 3.070 2.070 4.070 3.093 2.701 3.572 . 0 0 "[ . 1 . 2]" 1
205 1 10 THR H 1 56 VAL QG 4.440 3.440 5.440 3.796 3.275 4.688 0.165 8 0 "[ . 1 . 2]" 1
206 1 10 THR H 1 57 PRO HA 4.440 3.440 5.440 5.779 5.149 6.214 0.774 14 5 "[- *.* 1 +. * 2]" 1
207 1 10 THR HA 1 11 THR H 2.400 . 3.400 2.393 2.191 2.680 . 0 0 "[ . 1 . 2]" 1
208 1 10 THR HB 1 11 THR H 2.770 . 3.770 2.453 1.835 3.060 . 0 0 "[ . 1 . 2]" 1
209 1 10 THR HB 1 17 CYS QB 3.440 2.440 4.440 4.028 2.965 4.500 0.060 18 0 "[ . 1 . 2]" 1
210 1 10 THR HB 1 56 VAL QG 4.010 3.010 5.010 3.876 3.366 4.595 . 0 0 "[ . 1 . 2]" 1
211 1 10 THR HB 1 57 PRO QB 4.040 3.040 5.040 6.200 4.861 6.854 1.814 18 16 "[****-*** * * *** +**]" 1
212 1 10 THR MG 1 11 THR H 2.940 . 3.940 3.465 3.212 3.610 . 0 0 "[ . 1 . 2]" 1
213 1 10 THR MG 1 17 CYS H 4.500 3.500 5.500 5.574 4.805 6.158 0.658 16 1 "[ . 1 .+ 2]" 1
214 1 10 THR MG 1 17 CYS HB2 3.230 2.230 4.230 3.143 2.181 4.064 0.049 9 0 "[ . 1 . 2]" 1
215 1 10 THR MG 1 17 CYS QB 2.430 . 3.430 2.539 1.960 3.026 . 0 0 "[ . 1 . 2]" 1
216 1 10 THR MG 1 17 CYS HB3 3.230 2.230 4.230 3.075 1.974 3.882 0.256 17 0 "[ . 1 . 2]" 1
217 1 10 THR MG 1 33 GLU QB 2.910 . 3.910 2.816 2.301 3.986 0.076 11 0 "[ . 1 . 2]" 1
218 1 10 THR MG 1 34 VAL H 3.760 2.760 4.760 4.263 3.453 5.149 0.389 13 0 "[ . 1 . 2]" 1
219 1 10 THR MG 1 56 VAL HB 4.100 3.100 5.100 4.654 3.059 5.144 0.044 20 0 "[ . 1 . 2]" 1
220 1 11 THR H 1 11 THR HB 3.100 2.100 4.100 3.328 2.662 3.836 . 0 0 "[ . 1 . 2]" 1
221 1 11 THR H 1 11 THR MG 3.280 2.280 4.280 3.547 2.845 3.964 . 0 0 "[ . 1 . 2]" 1
222 1 11 THR H 1 12 SER H 3.910 2.910 4.910 4.302 4.164 4.597 . 0 0 "[ . 1 . 2]" 1
223 1 11 THR H 1 14 CYS QB 3.530 2.530 3.730 3.489 2.565 5.131 1.401 5 4 "[ + *-1 * 2]" 1
224 1 11 THR H 1 56 VAL MG1 3.520 2.520 4.520 2.753 2.072 3.916 0.448 5 0 "[ . 1 . 2]" 1
225 1 11 THR H 1 56 VAL QG 2.810 . 3.810 2.612 2.058 3.113 . 0 0 "[ . 1 . 2]" 1
226 1 11 THR H 1 56 VAL MG2 3.520 2.520 4.520 3.802 2.740 4.854 0.334 12 0 "[ . 1 . 2]" 1
227 1 11 THR HA 1 11 THR MG 3.160 2.160 4.160 2.345 2.261 2.459 . 0 0 "[ . 1 . 2]" 1
228 1 11 THR HA 1 12 SER H 2.290 . 3.290 2.437 2.313 2.637 . 0 0 "[ . 1 . 2]" 1
229 1 11 THR HA 1 37 GLU H 4.160 3.160 5.160 4.280 3.819 4.733 . 0 0 "[ . 1 . 2]" 1
230 1 11 THR HB 1 12 SER H 2.330 . 3.330 3.083 2.076 4.064 0.734 6 5 "[ - .+ 1 * .* *]" 1
231 1 11 THR HB 1 13 TRP QB 4.000 3.000 5.000 3.952 2.978 5.102 0.102 4 0 "[ . 1 . 2]" 1
232 1 11 THR HB 1 13 TRP HE1 4.300 3.300 5.300 5.026 4.473 5.450 0.150 20 0 "[ . 1 . 2]" 1
233 1 11 THR MG 1 12 SER H 3.410 2.410 4.410 2.945 2.148 3.852 0.262 3 0 "[ . 1 . 2]" 1
234 1 11 THR MG 1 13 TRP QB 3.790 2.790 4.790 3.630 2.727 4.206 0.063 6 0 "[ . 1 . 2]" 1
235 1 11 THR MG 1 13 TRP HD1 4.440 3.440 5.440 4.890 3.381 5.547 0.107 1 0 "[ . 1 . 2]" 1
236 1 11 THR MG 1 13 TRP HE1 4.450 3.450 5.450 4.624 3.401 5.461 0.049 20 0 "[ . 1 . 2]" 1
237 1 11 THR MG 1 13 TRP HE3 3.530 2.530 4.530 3.008 2.471 3.893 0.059 3 0 "[ . 1 . 2]" 1
238 1 11 THR MG 1 13 TRP HH2 4.500 3.500 5.500 4.000 3.553 4.641 . 0 0 "[ . 1 . 2]" 1
239 1 11 THR MG 1 13 TRP HZ2 3.970 2.970 4.970 4.275 3.356 5.024 0.054 11 0 "[ . 1 . 2]" 1
240 1 11 THR MG 1 37 GLU H 3.180 2.180 4.180 3.924 3.140 4.846 0.666 16 1 "[ . 1 .+ 2]" 1
241 1 11 THR MG 1 37 GLU HA 3.650 2.650 4.650 3.109 2.609 4.290 0.041 9 0 "[ . 1 . 2]" 1
242 1 11 THR MG 1 37 GLU QB 3.290 2.290 4.290 2.517 2.202 4.294 0.088 11 0 "[ . 1 . 2]" 1
243 1 12 SER H 1 12 SER QB 2.340 . 3.340 2.533 2.227 2.742 . 0 0 "[ . 1 . 2]" 1
244 1 12 SER H 1 13 TRP H 3.010 2.010 4.010 2.602 2.332 2.943 . 0 0 "[ . 1 . 2]" 1
245 1 12 SER H 1 13 TRP HA 4.250 3.250 5.250 5.098 4.725 5.389 0.139 6 0 "[ . 1 . 2]" 1
246 1 12 SER H 1 37 GLU HA 3.610 2.610 4.610 5.418 4.127 6.528 1.918 12 16 "[**-***** 1*+**.* ***]" 1
247 1 13 TRP H 1 14 CYS H 3.130 2.130 4.130 3.428 2.217 4.377 0.247 12 0 "[ . 1 . 2]" 1
248 1 13 TRP H 1 14 CYS QB 4.170 3.170 5.170 4.292 3.427 4.838 . 0 0 "[ . 1 . 2]" 1
249 1 13 TRP HA 1 13 TRP HE1 4.060 3.060 5.060 5.451 4.808 6.397 1.337 4 5 "[ * +. * 1 - . * 2]" 1
250 1 13 TRP QB 1 14 CYS H 3.450 2.450 4.450 3.473 2.388 3.904 0.062 20 0 "[ . 1 . 2]" 1
251 1 13 TRP HB2 1 14 CYS H 4.110 3.110 5.110 3.695 2.436 4.352 0.674 20 1 "[ . 1 . +]" 1
252 1 13 TRP HB3 1 14 CYS H 4.110 3.110 5.110 4.325 3.428 4.658 . 0 0 "[ . 1 . 2]" 1
253 1 14 CYS QB 1 17 CYS QB 2.790 . 3.790 3.041 1.866 3.911 0.121 6 0 "[ . 1 . 2]" 1
254 1 14 CYS QB 1 56 VAL QG 2.760 . 3.760 2.832 1.864 3.822 0.062 13 0 "[ . 1 . 2]" 1
255 1 16 TYR HA 1 16 TYR QD 2.760 . 3.760 3.161 2.503 3.788 0.028 19 0 "[ . 1 . 2]" 1
256 1 16 TYR HA 1 18 LEU QB 3.810 2.810 4.810 4.664 4.079 4.854 0.044 5 0 "[ . 1 . 2]" 1
257 1 16 TYR HA 1 19 ARG H 3.010 2.010 4.010 3.386 2.990 3.728 . 0 0 "[ . 1 . 2]" 1
258 1 16 TYR HA 1 19 ARG QB 3.170 2.170 4.170 3.039 2.416 3.846 . 0 0 "[ . 1 . 2]" 1
259 1 16 TYR QB 1 17 CYS H 3.250 2.250 4.250 3.198 2.540 3.838 . 0 0 "[ . 1 . 2]" 1
260 1 16 TYR QB 1 18 LEU H 4.340 3.340 5.340 4.912 4.614 5.265 . 0 0 "[ . 1 . 2]" 1
261 1 16 TYR QB 1 57 PRO QD 3.970 2.970 4.970 4.138 3.310 4.976 0.006 19 0 "[ . 1 . 2]" 1
262 1 16 TYR HB2 1 17 CYS H 4.070 3.070 5.070 4.041 3.796 4.291 . 0 0 "[ . 1 . 2]" 1
263 1 16 TYR HB3 1 17 CYS H 4.070 3.070 5.070 3.474 2.578 4.427 0.492 17 0 "[ . 1 . 2]" 1
264 1 16 TYR QD 1 17 CYS H 4.250 3.250 5.250 3.496 2.190 4.228 1.060 5 3 "[* + 1 - . 2]" 1
265 1 16 TYR QD 1 19 ARG H 4.420 3.420 5.420 5.409 4.665 5.885 0.465 14 0 "[ . 1 . 2]" 1
266 1 16 TYR QD 1 20 LEU H 4.500 3.500 5.500 5.666 4.608 6.449 0.949 7 7 "[* * + 1 * *- *2]" 1
267 1 16 TYR QD 1 57 PRO HD2 3.070 2.070 4.070 3.729 2.895 4.158 0.088 19 0 "[ . 1 . 2]" 1
268 1 16 TYR QD 1 57 PRO QD 2.560 . 3.560 3.114 2.330 3.588 0.028 10 0 "[ . 1 . 2]" 1
269 1 16 TYR QD 1 57 PRO HD3 3.070 2.070 4.070 3.352 2.457 3.945 . 0 0 "[ . 1 . 2]" 1
270 1 16 TYR QD 1 57 PRO HG2 4.000 3.000 5.000 3.504 2.971 4.118 0.029 3 0 "[ . 1 . 2]" 1
271 1 16 TYR QD 1 57 PRO HG3 3.070 2.070 4.070 2.547 1.919 3.650 0.151 8 0 "[ . 1 . 2]" 1
272 1 16 TYR QE 1 57 PRO QD 3.500 2.500 4.500 3.348 2.406 4.545 0.094 16 0 "[ . 1 . 2]" 1
273 1 16 TYR QE 1 57 PRO HG2 3.780 2.780 4.780 3.416 2.765 4.377 0.015 17 0 "[ . 1 . 2]" 1
274 1 16 TYR QE 1 57 PRO HG3 3.360 2.360 4.360 3.341 2.744 4.077 . 0 0 "[ . 1 . 2]" 1
275 1 17 CYS H 1 17 CYS HB2 2.870 . 3.870 3.051 2.454 3.600 . 0 0 "[ . 1 . 2]" 1
276 1 17 CYS H 1 17 CYS QB 2.100 . 3.100 2.652 2.414 2.906 . 0 0 "[ . 1 . 2]" 1
277 1 17 CYS H 1 17 CYS HB3 2.870 . 3.870 3.240 2.737 3.649 . 0 0 "[ . 1 . 2]" 1
278 1 17 CYS H 1 18 LEU H 2.310 . 3.310 2.597 2.362 2.784 . 0 0 "[ . 1 . 2]" 1
279 1 17 CYS H 1 18 LEU QB 3.640 2.640 4.640 4.395 4.018 4.833 0.193 9 0 "[ . 1 . 2]" 1
280 1 17 CYS H 1 18 LEU QD 4.440 3.440 5.440 4.962 3.587 5.650 0.210 3 0 "[ . 1 . 2]" 1
281 1 17 CYS H 1 19 ARG H 3.590 2.590 4.590 4.131 3.902 4.420 . 0 0 "[ . 1 . 2]" 1
282 1 17 CYS H 1 57 PRO QD 4.350 3.350 5.350 3.948 3.546 4.230 . 0 0 "[ . 1 . 2]" 1
283 1 17 CYS HA 1 19 ARG H 3.340 2.340 4.340 4.217 3.826 4.550 0.210 8 0 "[ . 1 . 2]" 1
284 1 17 CYS HA 1 20 LEU QD 4.170 3.170 5.170 4.026 3.606 4.453 . 0 0 "[ . 1 . 2]" 1
285 1 17 CYS HA 1 57 PRO QB 3.610 2.610 4.610 2.099 1.903 2.460 0.707 1 12 "[+** * ** - * ** * *]" 1
286 1 17 CYS HA 1 57 PRO QD 2.380 . 3.380 3.452 3.388 3.531 0.151 20 0 "[ . 1 . 2]" 1
287 1 17 CYS HA 1 57 PRO HG3 2.720 . 3.720 2.547 2.040 3.288 . 0 0 "[ . 1 . 2]" 1
288 1 17 CYS QB 1 18 LEU QB 4.340 3.340 5.340 4.289 3.551 5.113 . 0 0 "[ . 1 . 2]" 1
289 1 17 CYS QB 1 18 LEU QD 4.090 3.090 5.090 4.110 3.076 4.944 0.014 5 0 "[ . 1 . 2]" 1
290 1 17 CYS QB 1 21 LYS H 4.100 3.100 5.100 4.632 4.356 4.932 . 0 0 "[ . 1 . 2]" 1
291 1 17 CYS QB 1 21 LYS QB 4.340 3.340 5.340 4.011 3.513 4.996 . 0 0 "[ . 1 . 2]" 1
292 1 17 CYS QB 1 21 LYS QD 3.050 2.050 4.050 3.750 2.615 4.161 0.111 13 0 "[ . 1 . 2]" 1
293 1 17 CYS QB 1 21 LYS QG 3.240 2.240 4.240 4.713 2.944 5.539 1.299 15 12 "[* * **** 1 * +* -**]" 1
294 1 17 CYS QB 1 57 PRO QD 3.890 2.890 4.890 3.328 2.779 4.136 0.111 14 0 "[ . 1 . 2]" 1
295 1 18 LEU H 1 18 LEU QB 2.050 . 3.050 2.256 2.150 2.419 . 0 0 "[ . 1 . 2]" 1
296 1 18 LEU H 1 18 LEU QD 3.400 2.400 3.870 3.299 1.982 3.696 0.418 9 0 "[ . 1 . 2]" 1
297 1 18 LEU H 1 18 LEU HG 3.290 2.290 4.290 3.742 2.196 4.539 0.249 3 0 "[ . 1 . 2]" 1
298 1 18 LEU H 1 19 ARG H 2.240 . 3.240 2.538 2.369 2.789 . 0 0 "[ . 1 . 2]" 1
299 1 18 LEU H 1 20 LEU H 3.590 2.590 4.590 4.349 4.061 4.726 0.136 7 0 "[ . 1 . 2]" 1
300 1 18 LEU H 1 21 LYS H 4.230 3.230 5.230 4.684 4.566 4.828 . 0 0 "[ . 1 . 2]" 1
301 1 18 LEU HA 1 18 LEU QD 2.610 . 3.160 2.258 1.955 3.102 . 0 0 "[ . 1 . 2]" 1
302 1 18 LEU HA 1 18 LEU HG 3.220 2.220 4.220 3.083 2.423 3.829 . 0 0 "[ . 1 . 2]" 1
303 1 18 LEU HA 1 21 LYS H 2.740 . 3.740 3.327 3.005 3.576 . 0 0 "[ . 1 . 2]" 1
304 1 18 LEU HA 1 21 LYS QB 2.700 . 3.700 2.230 1.955 3.744 0.044 14 0 "[ . 1 . 2]" 1
305 1 18 LEU HA 1 21 LYS QG 3.530 2.530 4.530 3.680 2.074 4.588 0.456 14 0 "[ . 1 . 2]" 1
306 1 18 LEU QB 1 18 LEU QD 2.310 . 3.310 1.936 1.881 2.091 . 0 0 "[ . 1 . 2]" 1
307 1 18 LEU QB 1 19 ARG H 2.290 . 3.290 2.720 2.391 2.949 . 0 0 "[ . 1 . 2]" 1
308 1 18 LEU QD 1 19 ARG H 4.000 3.000 4.300 3.868 3.202 4.180 . 0 0 "[ . 1 . 2]" 1
309 1 18 LEU QD 1 21 LYS QG 3.100 2.100 3.290 3.859 2.807 4.873 1.583 5 10 "[ * + **** - . ** *]" 1
310 1 19 ARG H 1 19 ARG QB 2.410 . 3.410 2.327 2.177 2.564 . 0 0 "[ . 1 . 2]" 1
311 1 19 ARG H 1 19 ARG QG 3.580 2.580 4.580 3.246 2.011 4.032 0.569 9 1 "[ . +1 . 2]" 1
312 1 19 ARG H 1 20 LEU H 2.300 . 3.300 2.737 2.415 2.907 . 0 0 "[ . 1 . 2]" 1
313 1 19 ARG H 1 21 LYS H 3.710 2.710 4.710 3.978 3.766 4.232 . 0 0 "[ . 1 . 2]" 1
314 1 19 ARG H 1 21 LYS QG 4.250 3.250 5.250 6.118 4.915 6.911 1.661 2 14 "[*+* **** 1 ** -* ***]" 1
315 1 19 ARG H 1 22 THR H 4.140 3.140 5.140 4.798 4.646 5.010 . 0 0 "[ . 1 . 2]" 1
316 1 19 ARG HA 1 22 THR H 4.500 3.500 5.500 3.972 3.529 4.466 . 0 0 "[ . 1 . 2]" 1
317 1 19 ARG QB 1 19 ARG QD 3.100 2.100 4.100 2.416 2.093 2.828 0.007 12 0 "[ . 1 . 2]" 1
318 1 19 ARG QB 1 20 LEU H 2.260 . 3.260 2.414 2.110 2.715 . 0 0 "[ . 1 . 2]" 1
319 1 19 ARG QG 1 20 LEU H 3.340 2.340 4.340 3.800 3.268 4.483 0.143 15 0 "[ . 1 . 2]" 1
320 1 20 LEU H 1 20 LEU HB2 2.500 . 3.500 2.675 2.546 2.776 . 0 0 "[ . 1 . 2]" 1
321 1 20 LEU H 1 20 LEU QB 1.960 . 2.960 2.222 2.158 2.271 . 0 0 "[ . 1 . 2]" 1
322 1 20 LEU H 1 20 LEU HB3 2.500 . 3.500 2.376 2.310 2.414 . 0 0 "[ . 1 . 2]" 1
323 1 20 LEU H 1 21 LYS H 2.120 . 3.120 2.455 2.274 2.597 . 0 0 "[ . 1 . 2]" 1
324 1 20 LEU H 1 21 LYS QG 3.850 2.850 4.850 5.510 4.084 6.202 1.352 1 14 "[+** *-** 1 ** ** ***]" 1
325 1 20 LEU H 1 23 ALA H 3.700 2.700 4.700 4.791 4.674 4.927 0.227 7 0 "[ . 1 . 2]" 1
326 1 20 LEU HA 1 20 LEU MD1 3.740 2.740 4.740 2.609 2.592 2.636 0.148 11 0 "[ . 1 . 2]" 1
327 1 20 LEU HA 1 20 LEU QD 2.220 . 3.220 2.576 2.561 2.601 . 0 0 "[ . 1 . 2]" 1
328 1 20 LEU HA 1 20 LEU MD2 3.740 2.740 4.740 3.999 3.964 4.020 . 0 0 "[ . 1 . 2]" 1
329 1 20 LEU HA 1 23 ALA H 3.480 2.480 4.480 3.457 3.135 3.600 . 0 0 "[ . 1 . 2]" 1
330 1 20 LEU HA 1 23 ALA MB 2.440 . 3.440 2.536 2.427 2.674 . 0 0 "[ . 1 . 2]" 1
331 1 20 LEU HA 1 24 LEU MD2 4.290 3.290 5.290 4.611 4.221 4.951 . 0 0 "[ . 1 . 2]" 1
332 1 20 LEU HA 1 72 ALA MB 3.720 2.720 4.720 4.101 3.303 4.717 . 0 0 "[ . 1 . 2]" 1
333 1 20 LEU QB 1 20 LEU QD 1.860 . 2.860 1.927 1.896 1.956 . 0 0 "[ . 1 . 2]" 1
334 1 20 LEU QB 1 21 LYS H 3.090 2.090 4.090 2.566 2.448 2.677 . 0 0 "[ . 1 . 2]" 1
335 1 20 LEU QB 1 21 LYS HA 3.810 2.810 4.810 4.151 3.997 4.300 . 0 0 "[ . 1 . 2]" 1
336 1 20 LEU HB2 1 21 LYS H 3.680 2.680 4.680 3.896 3.789 3.979 . 0 0 "[ . 1 . 2]" 1
337 1 20 LEU HB3 1 21 LYS H 3.680 2.680 4.680 2.603 2.479 2.721 0.201 6 0 "[ . 1 . 2]" 1
338 1 20 LEU QD 1 21 LYS H 3.530 2.530 4.530 3.774 3.596 3.903 . 0 0 "[ . 1 . 2]" 1
339 1 20 LEU QD 1 23 ALA H 4.440 3.440 5.440 4.716 4.294 4.937 . 0 0 "[ . 1 . 2]" 1
340 1 20 LEU QD 1 23 ALA MB 2.890 . 3.890 3.011 2.479 3.302 . 0 0 "[ . 1 . 2]" 1
341 1 20 LEU QD 1 24 LEU H 3.620 2.620 4.620 4.043 3.552 4.331 . 0 0 "[ . 1 . 2]" 1
342 1 20 LEU QD 1 24 LEU MD1 2.560 . 3.560 2.455 2.330 2.762 . 0 0 "[ . 1 . 2]" 1
343 1 20 LEU QD 1 24 LEU HG 2.580 . 3.580 2.857 2.550 3.187 . 0 0 "[ . 1 . 2]" 1
344 1 20 LEU QD 1 57 PRO QB 3.600 2.600 4.600 2.334 2.062 2.704 0.538 5 1 "[ + 1 . 2]" 1
345 1 20 LEU QD 1 57 PRO HG2 3.380 2.380 4.380 3.823 3.405 4.228 . 0 0 "[ . 1 . 2]" 1
346 1 20 LEU QD 1 58 THR H 4.440 3.440 5.440 5.110 4.618 5.586 0.146 15 0 "[ . 1 . 2]" 1
347 1 20 LEU QD 1 59 VAL QG 4.300 3.300 5.300 3.335 3.212 3.618 0.088 6 0 "[ . 1 . 2]" 1
348 1 20 LEU QD 1 69 ASN H 4.340 3.340 5.340 4.413 3.937 4.857 . 0 0 "[ . 1 . 2]" 1
349 1 20 LEU QD 1 70 PRO QB 3.930 2.930 4.930 3.663 3.294 4.199 . 0 0 "[ . 1 . 2]" 1
350 1 20 LEU QD 1 70 PRO HG2 2.250 . 3.250 2.395 2.069 2.896 . 0 0 "[ . 1 . 2]" 1
351 1 20 LEU QD 1 72 ALA H 3.620 2.620 4.620 3.187 2.786 3.744 . 0 0 "[ . 1 . 2]" 1
352 1 20 LEU QD 1 72 ALA HA 2.880 . 3.880 2.739 2.229 3.123 . 0 0 "[ . 1 . 2]" 1
353 1 20 LEU QD 1 75 VAL H 4.440 3.440 5.440 4.483 4.140 4.795 . 0 0 "[ . 1 . 2]" 1
354 1 20 LEU QD 1 75 VAL MG2 2.220 . 3.220 2.331 2.062 2.624 . 0 0 "[ . 1 . 2]" 1
355 1 20 LEU MD1 1 21 LYS H 4.400 3.400 5.400 4.691 4.599 4.770 . 0 0 "[ . 1 . 2]" 1
356 1 20 LEU MD1 1 24 LEU MD1 3.630 2.630 4.630 2.855 2.631 3.327 . 0 0 "[ . 1 . 2]" 1
357 1 20 LEU MD1 1 70 PRO QD 3.490 2.490 4.490 3.367 2.471 4.068 0.019 7 0 "[ . 1 . 2]" 1
358 1 20 LEU MD1 1 70 PRO HG2 2.710 . 3.710 2.736 2.154 3.370 . 0 0 "[ . 1 . 2]" 1
359 1 20 LEU MD1 1 75 VAL MG2 3.150 2.150 4.150 2.421 2.129 2.831 0.021 7 0 "[ . 1 . 2]" 1
360 1 20 LEU MD2 1 21 LYS H 4.400 3.400 5.400 3.982 3.744 4.220 . 0 0 "[ . 1 . 2]" 1
361 1 20 LEU MD2 1 24 LEU MD1 3.630 2.630 4.630 2.682 2.584 2.950 0.046 7 0 "[ . 1 . 2]" 1
362 1 20 LEU MD2 1 70 PRO QD 3.490 2.490 4.490 2.476 2.407 3.028 0.083 3 0 "[ . 1 . 2]" 1
363 1 20 LEU MD2 1 70 PRO HG2 2.710 . 3.710 2.812 2.162 3.719 0.009 7 0 "[ . 1 . 2]" 1
364 1 20 LEU MD2 1 75 VAL MG2 3.150 2.150 4.150 3.118 2.716 3.394 . 0 0 "[ . 1 . 2]" 1
365 1 20 LEU HG 1 23 ALA MB 2.970 . 3.970 3.995 3.941 4.033 0.063 11 0 "[ . 1 . 2]" 1
366 1 20 LEU HG 1 24 LEU MD1 3.310 2.310 4.310 2.426 2.305 2.708 0.005 18 0 "[ . 1 . 2]" 1
367 1 20 LEU HG 1 24 LEU MD2 2.900 . 3.900 3.284 2.904 3.649 . 0 0 "[ . 1 . 2]" 1
368 1 20 LEU HG 1 24 LEU HG 2.910 . 3.910 2.457 2.303 2.766 . 0 0 "[ . 1 . 2]" 1
369 1 20 LEU HG 1 72 ALA HA 4.200 3.200 5.200 4.866 4.375 5.204 0.004 16 0 "[ . 1 . 2]" 1
370 1 21 LYS H 1 21 LYS QB 2.080 . 3.080 2.232 2.095 2.437 . 0 0 "[ . 1 . 2]" 1
371 1 21 LYS H 1 21 LYS QD 4.050 3.050 5.050 4.164 3.744 4.499 . 0 0 "[ . 1 . 2]" 1
372 1 21 LYS H 1 21 LYS QG 2.320 . 3.320 3.459 2.234 3.949 0.629 1 14 "[+-* **** 1 ** ** ***]" 1
373 1 21 LYS H 1 22 THR H 2.200 . 3.200 2.826 2.645 2.939 . 0 0 "[ . 1 . 2]" 1
374 1 21 LYS H 1 24 LEU H 4.060 3.060 5.060 4.788 4.702 4.918 . 0 0 "[ . 1 . 2]" 1
375 1 21 LYS H 1 31 TYR QE 4.500 3.500 5.500 6.081 5.589 6.362 0.862 1 14 "[+** *-** 1 ** ** ***]" 1
376 1 21 LYS HA 1 21 LYS QD 4.190 3.190 5.190 4.056 3.953 4.249 . 0 0 "[ . 1 . 2]" 1
377 1 21 LYS HA 1 21 LYS QG 3.040 2.040 4.040 2.465 2.307 3.376 . 0 0 "[ . 1 . 2]" 1
378 1 21 LYS HA 1 24 LEU H 3.130 2.130 4.130 3.647 3.069 3.882 . 0 0 "[ . 1 . 2]" 1
379 1 21 LYS HA 1 24 LEU HB2 3.450 2.450 4.450 3.147 2.615 3.480 . 0 0 "[ . 1 . 2]" 1
380 1 21 LYS HA 1 24 LEU MD1 3.310 2.310 4.310 2.999 2.351 3.533 . 0 0 "[ . 1 . 2]" 1
381 1 21 LYS HA 1 25 THR H 4.120 3.120 5.120 4.231 3.944 4.484 . 0 0 "[ . 1 . 2]" 1
382 1 21 LYS QB 1 22 THR H 2.220 . 3.220 2.547 2.275 3.715 0.495 14 0 "[ . 1 . 2]" 1
383 1 21 LYS QB 1 31 TYR QE 3.680 2.680 4.680 4.216 3.061 4.628 . 0 0 "[ . 1 . 2]" 1
384 1 21 LYS QD 1 31 TYR QE 2.920 . 3.920 3.688 2.552 3.971 0.051 18 0 "[ . 1 . 2]" 1
385 1 21 LYS HD2 1 31 TYR QE 3.590 2.590 4.590 4.021 2.573 4.642 0.052 13 0 "[ . 1 . 2]" 1
386 1 21 LYS HD3 1 31 TYR QE 3.590 2.590 4.590 4.623 3.154 5.299 0.709 9 4 "[ .*- +1* . 2]" 1
387 1 21 LYS QG 1 22 THR H 4.210 3.210 5.210 3.774 2.779 4.254 0.431 14 0 "[ . 1 . 2]" 1
388 1 21 LYS QG 1 31 TYR QE 3.930 2.930 4.930 2.819 2.509 3.410 0.421 5 0 "[ . 1 . 2]" 1
389 1 22 THR H 1 22 THR HB 1.940 . 2.940 3.045 2.500 3.629 0.689 14 9 "[ * * *-* +. ** *]" 1
390 1 22 THR H 1 22 THR MG 2.810 . 3.810 2.848 2.065 3.770 . 0 0 "[ . 1 . 2]" 1
391 1 22 THR H 1 23 ALA H 2.150 . 3.150 2.570 2.464 2.681 . 0 0 "[ . 1 . 2]" 1
392 1 22 THR H 1 23 ALA MB 3.430 2.430 4.430 4.230 4.148 4.319 . 0 0 "[ . 1 . 2]" 1
393 1 22 THR H 1 24 LEU H 3.690 2.690 4.690 4.218 4.016 4.346 . 0 0 "[ . 1 . 2]" 1
394 1 22 THR H 1 25 THR H 4.120 3.120 5.120 4.774 4.591 4.949 . 0 0 "[ . 1 . 2]" 1
395 1 22 THR HA 1 22 THR MG 2.290 . 3.290 2.491 2.210 3.245 . 0 0 "[ . 1 . 2]" 1
396 1 22 THR HA 1 23 ALA MB 4.140 3.140 5.140 5.000 4.968 5.045 . 0 0 "[ . 1 . 2]" 1
397 1 22 THR HA 1 25 THR H 2.870 . 3.870 3.416 3.079 3.758 . 0 0 "[ . 1 . 2]" 1
398 1 22 THR HA 1 25 THR HB 2.520 . 3.520 2.709 2.455 3.066 . 0 0 "[ . 1 . 2]" 1
399 1 22 THR HA 1 26 ALA H 3.400 2.400 4.400 4.050 3.802 4.342 . 0 0 "[ . 1 . 2]" 1
400 1 22 THR HB 1 23 ALA H 2.110 . 3.110 3.401 2.501 4.175 1.065 6 10 "[ * *+* 1 **.*** -]" 1
401 1 22 THR MG 1 23 ALA H 2.870 . 3.870 3.608 2.271 4.162 0.292 17 0 "[ . 1 . 2]" 1
402 1 23 ALA H 1 23 ALA MB 1.930 . 2.930 2.226 2.195 2.250 . 0 0 "[ . 1 . 2]" 1
403 1 23 ALA H 1 24 LEU H 2.210 . 3.210 2.658 2.513 2.791 . 0 0 "[ . 1 . 2]" 1
404 1 23 ALA H 1 24 LEU HB2 4.070 3.070 5.070 4.863 4.648 5.072 0.002 1 0 "[ . 1 . 2]" 1
405 1 23 ALA H 1 25 THR H 3.470 2.470 4.470 4.072 3.917 4.253 . 0 0 "[ . 1 . 2]" 1
406 1 23 ALA H 1 26 ALA H 3.940 2.940 4.940 4.679 4.553 4.827 . 0 0 "[ . 1 . 2]" 1
407 1 23 ALA H 1 27 ASN QD 4.500 3.500 5.500 5.511 5.162 6.601 1.101 12 3 "[ - . * 1 + . 2]" 1
408 1 23 ALA HA 1 26 ALA MB 2.450 . 3.450 2.751 2.568 3.001 . 0 0 "[ . 1 . 2]" 1
409 1 23 ALA HA 1 27 ASN HB2 3.790 2.790 4.790 4.848 4.756 4.882 0.092 7 0 "[ . 1 . 2]" 1
410 1 23 ALA HA 1 27 ASN QD 3.830 2.830 4.830 3.336 3.014 4.399 . 0 0 "[ . 1 . 2]" 1
411 1 23 ALA HA 1 72 ALA MB 3.640 2.640 4.640 4.321 3.720 4.610 . 0 0 "[ . 1 . 2]" 1
412 1 23 ALA MB 1 24 LEU H 2.450 . 3.450 2.414 2.318 2.517 . 0 0 "[ . 1 . 2]" 1
413 1 23 ALA MB 1 24 LEU HB2 3.500 2.500 4.500 4.504 4.455 4.533 0.033 15 0 "[ . 1 . 2]" 1
414 1 23 ALA MB 1 24 LEU MD2 2.610 . 3.610 3.218 2.982 3.455 . 0 0 "[ . 1 . 2]" 1
415 1 23 ALA MB 1 24 LEU HG 2.460 . 3.460 3.208 2.995 3.303 . 0 0 "[ . 1 . 2]" 1
416 1 23 ALA MB 1 27 ASN QD 4.070 3.070 4.390 3.131 2.660 3.856 0.410 13 0 "[ . 1 . 2]" 1
417 1 23 ALA MB 1 72 ALA H 3.790 2.790 4.790 4.197 3.456 4.586 . 0 0 "[ . 1 . 2]" 1
418 1 24 LEU H 1 24 LEU HB2 2.660 . 3.660 2.510 2.455 2.558 . 0 0 "[ . 1 . 2]" 1
419 1 24 LEU H 1 24 LEU MD1 3.000 . 4.000 3.682 3.529 3.809 . 0 0 "[ . 1 . 2]" 1
420 1 24 LEU H 1 24 LEU MD2 3.590 2.590 4.590 3.106 2.871 3.308 . 0 0 "[ . 1 . 2]" 1
421 1 24 LEU H 1 24 LEU HG 2.060 . 3.060 2.244 2.083 2.388 . 0 0 "[ . 1 . 2]" 1
422 1 24 LEU H 1 25 THR H 2.280 . 3.280 2.638 2.565 2.746 . 0 0 "[ . 1 . 2]" 1
423 1 24 LEU H 1 26 ALA H 3.540 2.540 4.540 4.119 3.855 4.265 . 0 0 "[ . 1 . 2]" 1
424 1 24 LEU H 1 29 ILE MD 4.270 3.270 5.270 4.787 4.323 5.003 . 0 0 "[ . 1 . 2]" 1
425 1 24 LEU H 1 31 TYR QD 4.500 3.500 5.500 5.673 5.435 6.080 0.580 13 1 "[ . 1 + . 2]" 1
426 1 24 LEU H 1 72 ALA MB 3.640 2.640 4.640 4.143 3.857 4.579 . 0 0 "[ . 1 . 2]" 1
427 1 24 LEU HA 1 24 LEU MD1 3.260 2.260 4.260 3.821 3.774 3.852 . 0 0 "[ . 1 . 2]" 1
428 1 24 LEU HA 1 24 LEU MD2 2.180 . 3.180 2.054 2.011 2.118 . 0 0 "[ . 1 . 2]" 1
429 1 24 LEU HA 1 27 ASN H 2.800 . 3.800 3.349 3.133 3.558 . 0 0 "[ . 1 . 2]" 1
430 1 24 LEU HA 1 27 ASN HB2 3.090 2.090 4.090 2.518 2.140 2.900 . 0 0 "[ . 1 . 2]" 1
431 1 24 LEU HA 1 27 ASN HB3 3.000 . 4.000 3.866 3.467 4.480 0.480 13 0 "[ . 1 . 2]" 1
432 1 24 LEU HA 1 27 ASN QD 3.780 2.780 4.780 3.621 3.290 4.445 . 0 0 "[ . 1 . 2]" 1
433 1 24 LEU HA 1 29 ILE HB 3.120 2.120 4.120 2.851 2.489 3.177 . 0 0 "[ . 1 . 2]" 1
434 1 24 LEU HA 1 29 ILE MD 2.580 . 3.580 2.430 1.999 2.746 . 0 0 "[ . 1 . 2]" 1
435 1 24 LEU HA 1 75 VAL MG1 4.320 3.320 5.320 4.830 4.545 5.114 . 0 0 "[ . 1 . 2]" 1
436 1 24 LEU HB2 1 25 THR H 2.560 . 3.560 2.629 2.418 2.787 . 0 0 "[ . 1 . 2]" 1
437 1 24 LEU HB2 1 26 ALA H 4.190 3.190 5.190 5.068 4.825 5.207 0.017 5 0 "[ . 1 . 2]" 1
438 1 24 LEU HB2 1 29 ILE MG 3.550 2.550 4.550 4.172 3.947 4.554 0.004 9 0 "[ . 1 . 2]" 1
439 1 24 LEU HB2 1 31 TYR QD 3.630 2.630 4.630 3.283 2.995 3.699 . 0 0 "[ . 1 . 2]" 1
440 1 24 LEU HB2 1 31 TYR QE 3.180 2.180 4.180 2.812 2.424 3.021 . 0 0 "[ . 1 . 2]" 1
441 1 24 LEU HB3 1 24 LEU MD1 2.540 . 3.540 2.319 2.250 2.381 . 0 0 "[ . 1 . 2]" 1
442 1 24 LEU HB3 1 24 LEU MD2 2.600 . 3.600 2.457 2.393 2.528 . 0 0 "[ . 1 . 2]" 1
443 1 24 LEU HB3 1 25 THR H 2.860 . 3.860 3.695 3.516 3.800 . 0 0 "[ . 1 . 2]" 1
444 1 24 LEU HB3 1 31 TYR QD 3.230 2.230 4.230 2.965 2.698 3.182 . 0 0 "[ . 1 . 2]" 1
445 1 24 LEU HB3 1 31 TYR QE 3.790 2.790 4.790 3.598 3.197 3.807 . 0 0 "[ . 1 . 2]" 1
446 1 24 LEU MD1 1 25 THR H 4.130 3.130 5.130 4.571 4.420 4.733 . 0 0 "[ . 1 . 2]" 1
447 1 24 LEU MD1 1 29 ILE MG 2.960 . 3.960 2.881 2.554 3.212 . 0 0 "[ . 1 . 2]" 1
448 1 24 LEU MD1 1 31 TYR QD 3.080 2.080 4.080 3.269 2.895 3.701 . 0 0 "[ . 1 . 2]" 1
449 1 24 LEU MD1 1 31 TYR QE 3.440 2.440 4.440 3.907 3.555 4.222 . 0 0 "[ . 1 . 2]" 1
450 1 24 LEU MD1 1 59 VAL QG 3.140 2.140 4.140 3.569 3.255 3.880 . 0 0 "[ . 1 . 2]" 1
451 1 24 LEU MD1 1 61 PHE HZ 4.500 3.500 5.500 5.406 4.993 5.541 0.041 11 0 "[ . 1 . 2]" 1
452 1 24 LEU MD1 1 75 VAL MG1 2.820 . 3.820 2.451 2.159 2.909 . 0 0 "[ . 1 . 2]" 1
453 1 24 LEU MD1 1 75 VAL MG2 3.760 2.760 4.760 2.787 2.686 3.168 0.074 8 0 "[ . 1 . 2]" 1
454 1 24 LEU MD2 1 25 THR H 3.920 2.920 4.920 4.594 4.495 4.666 . 0 0 "[ . 1 . 2]" 1
455 1 24 LEU MD2 1 29 ILE H 4.260 3.260 5.260 4.858 4.577 5.264 0.004 4 0 "[ . 1 . 2]" 1
456 1 24 LEU MD2 1 29 ILE HA 4.500 3.500 5.500 5.372 4.948 5.530 0.030 10 0 "[ . 1 . 2]" 1
457 1 24 LEU MD2 1 29 ILE HB 2.330 . 3.330 3.053 2.564 3.325 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU MD2 1 31 TYR QE 4.360 3.360 5.360 5.261 5.018 5.407 0.047 18 0 "[ . 1 . 2]" 1
459 1 24 LEU MD2 1 59 VAL QG 4.440 3.440 5.440 4.499 4.245 4.688 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU MD2 1 72 ALA H 4.000 3.000 5.000 4.408 3.974 4.895 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU MD2 1 72 ALA HA 2.780 . 3.780 2.303 2.101 2.681 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU MD2 1 72 ALA MB 2.770 . 3.770 2.503 2.265 2.977 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU MD2 1 75 VAL H 3.480 2.480 4.480 4.256 4.021 4.641 0.161 17 0 "[ . 1 . 2]" 1
464 1 24 LEU MD2 1 75 VAL HB 2.980 . 3.980 2.433 2.238 2.848 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU MD2 1 75 VAL MG1 2.440 . 3.440 2.244 2.050 2.412 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU MD2 1 75 VAL MG2 2.710 . 3.710 2.399 2.137 2.839 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU MD2 1 76 LYS H 3.600 2.600 4.600 4.096 3.682 4.468 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU HG 1 25 THR H 3.680 2.680 4.680 4.262 4.123 4.364 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU HG 1 29 ILE HB 3.840 2.840 4.840 4.825 4.594 4.941 0.101 2 0 "[ . 1 . 2]" 1
470 1 25 THR H 1 25 THR HB 1.930 . 2.930 2.582 2.492 2.678 . 0 0 "[ . 1 . 2]" 1
471 1 25 THR H 1 25 THR MG 2.790 . 3.790 3.750 3.720 3.776 . 0 0 "[ . 1 . 2]" 1
472 1 25 THR H 1 26 ALA H 2.210 . 3.210 2.692 2.600 2.836 . 0 0 "[ . 1 . 2]" 1
473 1 25 THR H 1 27 ASN H 3.550 2.550 4.550 3.925 3.789 4.115 . 0 0 "[ . 1 . 2]" 1
474 1 25 THR H 1 28 ARG H 4.500 3.500 5.500 5.194 4.810 5.438 . 0 0 "[ . 1 . 2]" 1
475 1 25 THR H 1 29 ILE H 4.190 3.190 5.190 4.833 4.704 5.002 . 0 0 "[ . 1 . 2]" 1
476 1 25 THR H 1 31 TYR QE 3.100 2.100 4.100 3.079 2.769 3.452 . 0 0 "[ . 1 . 2]" 1
477 1 25 THR HA 1 27 ASN H 3.250 2.250 4.250 4.066 3.687 4.411 0.161 13 0 "[ . 1 . 2]" 1
478 1 25 THR HA 1 29 ILE H 3.030 2.030 4.030 3.441 2.748 3.934 . 0 0 "[ . 1 . 2]" 1
479 1 25 THR HA 1 31 TYR QE 3.550 2.550 4.550 3.151 2.723 3.819 . 0 0 "[ . 1 . 2]" 1
480 1 25 THR HB 1 26 ALA H 2.020 . 3.020 2.647 2.408 3.102 0.082 4 0 "[ . 1 . 2]" 1
481 1 25 THR HB 1 31 TYR QE 3.410 2.410 4.410 4.246 3.942 4.451 0.041 19 0 "[ . 1 . 2]" 1
482 1 25 THR MG 1 26 ALA H 2.820 . 3.820 3.601 3.414 3.898 0.078 4 0 "[ . 1 . 2]" 1
483 1 25 THR MG 1 27 ASN H 4.020 3.020 5.020 4.897 4.695 5.193 0.173 13 0 "[ . 1 . 2]" 1
484 1 25 THR MG 1 28 ARG H 3.790 2.790 4.790 4.535 4.307 4.821 0.031 13 0 "[ . 1 . 2]" 1
485 1 25 THR MG 1 28 ARG HA 4.350 3.350 5.350 4.612 4.273 5.071 . 0 0 "[ . 1 . 2]" 1
486 1 25 THR MG 1 31 TYR QE 3.930 2.930 4.930 3.830 3.533 4.304 . 0 0 "[ . 1 . 2]" 1
487 1 26 ALA H 1 26 ALA MB 1.870 . 2.870 2.238 2.219 2.254 . 0 0 "[ . 1 . 2]" 1
488 1 26 ALA H 1 27 ASN H 2.160 . 3.160 2.525 2.367 2.625 . 0 0 "[ . 1 . 2]" 1
489 1 26 ALA H 1 27 ASN QD 3.760 3.500 4.760 4.216 3.945 5.120 0.360 12 0 "[ . 1 . 2]" 1
490 1 26 ALA H 1 28 ARG H 3.310 2.310 4.310 4.057 3.826 4.288 . 0 0 "[ . 1 . 2]" 1
491 1 26 ALA HA 1 27 ASN HB2 4.500 3.500 5.500 5.524 5.437 5.588 0.088 13 0 "[ . 1 . 2]" 1
492 1 26 ALA HA 1 28 ARG H 2.760 . 3.760 3.584 3.503 3.697 . 0 0 "[ . 1 . 2]" 1
493 1 26 ALA MB 1 27 ASN H 2.390 . 3.390 2.834 2.499 3.171 . 0 0 "[ . 1 . 2]" 1
494 1 26 ALA MB 1 27 ASN QD 3.160 2.160 4.160 3.029 2.688 3.694 . 0 0 "[ . 1 . 2]" 1
495 1 27 ASN H 1 27 ASN HB2 2.560 . 3.560 2.219 2.095 2.374 . 0 0 "[ . 1 . 2]" 1
496 1 27 ASN H 1 27 ASN HB3 2.630 . 3.630 3.515 3.201 3.623 . 0 0 "[ . 1 . 2]" 1
497 1 27 ASN H 1 27 ASN QD 2.600 . 3.600 2.870 2.505 3.650 0.050 12 0 "[ . 1 . 2]" 1
498 1 27 ASN H 1 28 ARG H 2.110 . 3.110 2.493 2.241 2.783 . 0 0 "[ . 1 . 2]" 1
499 1 27 ASN H 1 29 ILE H 3.020 2.020 4.020 3.599 3.206 4.113 0.093 13 0 "[ . 1 . 2]" 1
500 1 27 ASN H 1 29 ILE MD 3.570 2.570 4.570 4.512 4.246 4.802 0.232 5 0 "[ . 1 . 2]" 1
501 1 27 ASN HA 1 28 ARG H 2.410 . 3.410 3.130 3.019 3.226 . 0 0 "[ . 1 . 2]" 1
502 1 27 ASN HB2 1 28 ARG H 3.880 2.880 4.880 3.807 3.600 4.032 . 0 0 "[ . 1 . 2]" 1
503 1 27 ASN HB2 1 29 ILE MD 2.660 . 3.660 2.934 2.777 3.143 . 0 0 "[ . 1 . 2]" 1
504 1 27 ASN HB2 1 29 ILE HG12 3.810 2.810 4.810 4.718 4.547 4.855 0.045 12 0 "[ . 1 . 2]" 1
505 1 27 ASN HB2 1 29 ILE HG13 3.810 2.810 4.810 3.090 2.922 3.263 . 0 0 "[ . 1 . 2]" 1
506 1 27 ASN HB2 1 29 ILE MG 4.250 3.250 5.250 5.109 4.916 5.284 0.034 13 0 "[ . 1 . 2]" 1
507 1 27 ASN HB3 1 28 ARG H 3.630 2.630 4.630 4.171 3.902 4.333 . 0 0 "[ . 1 . 2]" 1
508 1 27 ASN HB3 1 29 ILE MD 2.930 . 3.930 2.743 2.381 3.309 . 0 0 "[ . 1 . 2]" 1
509 1 27 ASN QD 1 28 ARG H 4.320 3.320 5.320 4.902 4.356 5.476 0.156 13 0 "[ . 1 . 2]" 1
510 1 28 ARG H 1 28 ARG HA 1.800 . 2.800 2.243 2.191 2.270 . 0 0 "[ . 1 . 2]" 1
511 1 28 ARG H 1 28 ARG HB2 3.070 2.070 4.070 3.469 3.055 4.046 . 0 0 "[ . 1 . 2]" 1
512 1 28 ARG H 1 28 ARG QB 2.440 . 3.440 3.230 2.900 3.436 . 0 0 "[ . 1 . 2]" 1
513 1 28 ARG H 1 28 ARG HB3 3.070 2.070 4.070 3.923 3.126 4.142 0.072 5 0 "[ . 1 . 2]" 1
514 1 28 ARG H 1 28 ARG QD 3.640 2.640 4.640 4.555 2.502 5.473 0.833 7 5 "[ *. + * - *]" 1
515 1 28 ARG H 1 28 ARG QG 2.330 . 3.330 3.357 2.783 4.160 0.830 20 6 "[ *. * - * * +]" 1
516 1 28 ARG H 1 29 ILE H 2.190 . 3.190 2.683 2.511 2.985 . 0 0 "[ . 1 . 2]" 1
517 1 28 ARG H 1 29 ILE MD 4.140 3.140 5.140 5.213 5.056 5.384 0.244 8 0 "[ . 1 . 2]" 1
518 1 28 ARG HA 1 28 ARG QG 2.420 . 3.420 2.579 2.371 3.402 . 0 0 "[ . 1 . 2]" 1
519 1 28 ARG HA 1 29 ILE H 2.280 . 3.280 2.843 2.351 3.081 . 0 0 "[ . 1 . 2]" 1
520 1 28 ARG HB2 1 28 ARG QD 3.230 2.230 4.230 2.852 2.388 3.519 . 0 0 "[ . 1 . 2]" 1
521 1 28 ARG HB2 1 29 ILE H 3.560 2.560 4.560 4.246 3.948 4.596 0.036 10 0 "[ . 1 . 2]" 1
522 1 28 ARG HB3 1 28 ARG QD 3.230 2.230 4.230 2.551 2.308 3.538 . 0 0 "[ . 1 . 2]" 1
523 1 28 ARG HB3 1 29 ILE H 3.560 2.560 4.560 4.375 3.915 4.632 0.072 8 0 "[ . 1 . 2]" 1
524 1 29 ILE H 1 29 ILE HB 2.030 . 3.030 2.473 2.406 2.575 . 0 0 "[ . 1 . 2]" 1
525 1 29 ILE H 1 29 ILE MD 3.030 2.030 4.030 3.799 3.722 4.048 0.018 4 0 "[ . 1 . 2]" 1
526 1 29 ILE H 1 29 ILE HG12 3.370 2.370 4.370 3.719 3.576 3.976 . 0 0 "[ . 1 . 2]" 1
527 1 29 ILE H 1 29 ILE HG13 3.370 2.370 4.370 2.531 2.371 2.882 . 0 0 "[ . 1 . 2]" 1
528 1 29 ILE H 1 29 ILE MG 3.090 2.090 4.090 3.759 3.722 3.792 . 0 0 "[ . 1 . 2]" 1
529 1 29 ILE H 1 30 ALA H 3.490 2.490 4.490 4.351 4.119 4.462 . 0 0 "[ . 1 . 2]" 1
530 1 29 ILE H 1 31 TYR QE 4.150 3.150 5.150 5.236 4.566 5.867 0.717 17 3 "[ .- 1* . + 2]" 1
531 1 29 ILE HA 1 29 ILE HG12 2.930 . 3.930 2.531 2.453 2.597 . 0 0 "[ . 1 . 2]" 1
532 1 29 ILE HA 1 29 ILE QG 2.340 . 3.340 2.404 2.338 2.467 . 0 0 "[ . 1 . 2]" 1
533 1 29 ILE HA 1 29 ILE HG13 2.930 . 3.930 2.998 2.919 3.077 . 0 0 "[ . 1 . 2]" 1
534 1 29 ILE HA 1 29 ILE MG 2.260 . 3.260 2.434 2.372 2.494 . 0 0 "[ . 1 . 2]" 1
535 1 29 ILE HA 1 30 ALA H 1.700 . 2.700 2.122 2.082 2.176 . 0 0 "[ . 1 . 2]" 1
536 1 29 ILE HB 1 29 ILE MD 2.240 . 3.240 2.457 2.425 2.482 . 0 0 "[ . 1 . 2]" 1
537 1 29 ILE HB 1 30 ALA H 3.430 2.430 4.430 4.287 4.174 4.361 . 0 0 "[ . 1 . 2]" 1
538 1 29 ILE MD 1 75 VAL H 4.500 3.500 5.500 4.815 4.182 5.283 . 0 0 "[ . 1 . 2]" 1
539 1 29 ILE MD 1 75 VAL MG1 2.610 . 3.610 2.378 2.013 2.914 . 0 0 "[ . 1 . 2]" 1
540 1 29 ILE MD 1 76 LYS H 3.480 2.480 4.480 3.218 2.710 3.571 . 0 0 "[ . 1 . 2]" 1
541 1 29 ILE MD 1 76 LYS HA 3.080 2.080 4.080 2.649 2.114 3.233 . 0 0 "[ . 1 . 2]" 1
542 1 29 ILE QG 1 29 ILE MG 2.270 . 3.270 2.348 2.306 2.399 . 0 0 "[ . 1 . 2]" 1
543 1 29 ILE QG 1 30 ALA H 4.030 3.030 5.030 4.150 4.050 4.255 . 0 0 "[ . 1 . 2]" 1
544 1 29 ILE QG 1 75 VAL MG1 3.470 2.470 4.470 4.038 3.601 4.482 0.012 14 0 "[ . 1 . 2]" 1
545 1 29 ILE QG 1 76 LYS H 3.870 2.870 4.870 5.128 4.189 5.543 0.673 8 3 "[ . + 1 -. * 2]" 1
546 1 29 ILE QG 1 76 LYS QB 2.840 . 3.840 3.739 2.992 3.894 0.054 12 0 "[ . 1 . 2]" 1
547 1 29 ILE MG 1 30 ALA H 2.480 . 3.480 2.843 2.655 2.965 . 0 0 "[ . 1 . 2]" 1
548 1 29 ILE MG 1 30 ALA HA 3.440 2.440 4.440 4.011 3.839 4.164 . 0 0 "[ . 1 . 2]" 1
549 1 29 ILE MG 1 30 ALA MB 2.990 . 3.990 4.012 3.905 4.063 0.073 6 0 "[ . 1 . 2]" 1
550 1 29 ILE MG 1 31 TYR H 4.120 3.120 5.120 4.383 3.795 4.829 . 0 0 "[ . 1 . 2]" 1
551 1 29 ILE MG 1 31 TYR QB 3.510 2.510 4.510 3.069 2.654 3.357 . 0 0 "[ . 1 . 2]" 1
552 1 29 ILE MG 1 31 TYR QD 3.230 2.230 4.230 3.025 2.507 3.516 . 0 0 "[ . 1 . 2]" 1
553 1 29 ILE MG 1 31 TYR QE 4.500 3.500 5.500 4.776 4.224 5.226 . 0 0 "[ . 1 . 2]" 1
554 1 29 ILE MG 1 61 PHE QE 4.500 3.500 5.500 4.729 4.257 5.138 . 0 0 "[ . 1 . 2]" 1
555 1 29 ILE MG 1 75 VAL MG1 2.060 . 3.060 2.429 2.009 2.870 . 0 0 "[ . 1 . 2]" 1
556 1 30 ALA H 1 30 ALA MB 2.030 . 3.030 2.256 2.223 2.312 . 0 0 "[ . 1 . 2]" 1
557 1 30 ALA H 1 31 TYR H 3.670 2.670 4.670 4.445 4.224 4.605 . 0 0 "[ . 1 . 2]" 1
558 1 30 ALA HA 1 31 TYR H 1.730 . 2.730 2.164 2.094 2.313 . 0 0 "[ . 1 . 2]" 1
559 1 30 ALA HA 1 31 TYR QD 3.530 2.530 4.530 3.601 3.260 4.072 . 0 0 "[ . 1 . 2]" 1
560 1 30 ALA MB 1 31 TYR H 2.270 . 3.270 3.033 2.661 3.465 0.195 7 0 "[ . 1 . 2]" 1
561 1 30 ALA MB 1 31 TYR HA 3.850 2.850 4.850 4.029 3.894 4.174 . 0 0 "[ . 1 . 2]" 1
562 1 31 TYR H 1 31 TYR QB 3.030 2.030 4.030 3.125 2.876 3.247 . 0 0 "[ . 1 . 2]" 1
563 1 31 TYR H 1 31 TYR QD 2.820 . 3.820 2.997 2.635 3.173 . 0 0 "[ . 1 . 2]" 1
564 1 31 TYR H 1 32 ASP H 3.650 2.650 4.650 4.333 4.174 4.457 . 0 0 "[ . 1 . 2]" 1
565 1 31 TYR HA 1 31 TYR QD 3.500 2.500 4.500 3.763 3.741 3.779 . 0 0 "[ . 1 . 2]" 1
566 1 31 TYR HA 1 32 ASP H 2.060 . 3.060 2.299 2.156 2.456 . 0 0 "[ . 1 . 2]" 1
567 1 31 TYR QB 1 32 ASP H 2.820 . 3.820 2.593 2.298 2.969 . 0 0 "[ . 1 . 2]" 1
568 1 31 TYR QD 1 32 ASP H 3.480 2.480 4.480 3.593 3.068 4.293 . 0 0 "[ . 1 . 2]" 1
569 1 31 TYR QD 1 32 ASP HA 3.790 2.790 4.790 3.650 3.196 4.504 . 0 0 "[ . 1 . 2]" 1
570 1 31 TYR QD 1 33 GLU H 3.260 2.260 4.260 3.624 3.161 3.945 . 0 0 "[ . 1 . 2]" 1
571 1 31 TYR QD 1 33 GLU QB 4.000 3.000 5.000 3.016 2.656 3.353 0.344 17 0 "[ . 1 . 2]" 1
572 1 31 TYR QE 1 33 GLU QB 3.850 2.850 4.850 3.045 2.431 3.877 0.419 8 0 "[ . 1 . 2]" 1
573 1 32 ASP H 1 32 ASP QB 2.840 . 3.840 2.552 2.352 2.911 . 0 0 "[ . 1 . 2]" 1
574 1 32 ASP H 1 33 GLU H 3.730 2.730 4.730 4.287 4.163 4.439 . 0 0 "[ . 1 . 2]" 1
575 1 32 ASP H 1 33 GLU HA 3.850 2.850 4.850 4.662 4.472 5.038 0.188 11 0 "[ . 1 . 2]" 1
576 1 32 ASP H 1 34 VAL QG 4.500 3.500 5.500 5.500 5.214 5.738 0.238 15 0 "[ . 1 . 2]" 1
577 1 32 ASP HA 1 33 GLU H 1.830 . 2.830 2.177 2.121 2.260 . 0 0 "[ . 1 . 2]" 1
578 1 32 ASP QB 1 33 GLU H 2.510 . 3.510 3.520 2.930 3.876 0.366 1 0 "[ . 1 . 2]" 1
579 1 32 ASP QB 1 34 VAL QG 4.000 3.000 5.000 4.402 3.612 4.863 . 0 0 "[ . 1 . 2]" 1
580 1 33 GLU H 1 33 GLU QB 2.630 . 3.630 2.792 2.217 3.065 . 0 0 "[ . 1 . 2]" 1
581 1 33 GLU H 1 33 GLU QG 2.230 . 3.230 2.143 1.879 3.801 0.571 11 1 "[ . 1+ . 2]" 1
582 1 33 GLU HA 1 34 VAL H 1.890 . 2.890 2.194 2.097 2.311 . 0 0 "[ . 1 . 2]" 1
583 1 33 GLU QB 1 34 VAL H . 2.520 3.490 2.815 2.573 3.604 0.114 11 0 "[ . 1 . 2]" 1
584 1 33 GLU QG 1 35 ASP H 4.480 3.480 5.480 5.574 5.106 6.764 1.284 19 1 "[ . 1 . +2]" 1
585 1 34 VAL H 1 34 VAL HB 2.410 . 3.410 2.689 2.557 2.861 . 0 0 "[ . 1 . 2]" 1
586 1 34 VAL H 1 34 VAL QG 3.080 2.080 3.820 2.125 1.966 2.321 0.114 11 0 "[ . 1 . 2]" 1
587 1 34 VAL H 1 35 ASP H 3.850 2.850 4.850 4.506 4.386 4.585 . 0 0 "[ . 1 . 2]" 1
588 1 34 VAL H 1 35 ASP HA 4.500 3.500 5.500 5.690 5.515 5.915 0.415 17 0 "[ . 1 . 2]" 1
589 1 34 VAL H 1 36 ILE MD 4.500 3.500 5.500 5.247 4.753 5.837 0.337 8 0 "[ . 1 . 2]" 1
590 1 34 VAL H 1 36 ILE QG 4.500 3.500 5.500 4.529 4.140 4.977 . 0 0 "[ . 1 . 2]" 1
591 1 34 VAL H 1 37 GLU H 4.430 3.430 5.430 6.790 6.330 7.348 1.918 2 20 [*+************-*****] 1
592 1 34 VAL HA 1 34 VAL QG 2.260 . 3.260 2.149 2.127 2.165 . 0 0 "[ . 1 . 2]" 1
593 1 34 VAL HA 1 35 ASP H 1.750 . 2.750 2.118 1.954 2.295 . 0 0 "[ . 1 . 2]" 1
594 1 34 VAL HA 1 35 ASP HB2 4.500 3.500 5.500 4.685 4.110 5.546 0.046 9 0 "[ . 1 . 2]" 1
595 1 34 VAL HA 1 35 ASP QB 3.790 2.790 4.790 4.253 3.838 4.686 . 0 0 "[ . 1 . 2]" 1
596 1 34 VAL HA 1 35 ASP HB3 4.500 3.500 5.500 5.170 4.236 5.759 0.259 11 0 "[ . 1 . 2]" 1
597 1 34 VAL HB 1 35 ASP H 3.440 2.440 4.440 3.702 3.504 3.927 . 0 0 "[ . 1 . 2]" 1
598 1 34 VAL HB 1 36 ILE H 3.150 2.150 4.150 3.002 2.777 3.230 . 0 0 "[ . 1 . 2]" 1
599 1 34 VAL HB 1 36 ILE MG 2.300 . 3.300 2.352 2.238 2.463 . 0 0 "[ . 1 . 2]" 1
600 1 34 VAL QG 1 35 ASP H 2.620 2.010 3.620 2.131 1.934 2.375 0.076 20 0 "[ . 1 . 2]" 1
601 1 34 VAL QG 1 35 ASP QB 3.530 2.530 4.530 3.307 2.903 3.759 . 0 0 "[ . 1 . 2]" 1
602 1 34 VAL QG 1 36 ILE H 3.470 2.470 4.470 2.126 1.926 2.276 0.544 8 1 "[ . + 1 . 2]" 1
603 1 34 VAL QG 1 36 ILE HA 3.400 2.400 4.400 3.539 3.171 3.712 . 0 0 "[ . 1 . 2]" 1
604 1 34 VAL QG 1 36 ILE QG 2.550 . 3.550 3.346 3.178 3.420 . 0 0 "[ . 1 . 2]" 1
605 1 34 VAL QG 1 36 ILE MG 2.160 . 3.160 1.918 1.824 1.997 0.176 4 0 "[ . 1 . 2]" 1
606 1 34 VAL QG 1 39 ASN QB 3.390 2.390 4.390 3.981 3.379 5.447 1.057 8 3 "[ . + 1 *. -2]" 1
607 1 34 VAL QG 1 39 ASN HD21 3.050 2.050 4.050 3.609 3.212 4.150 0.100 19 0 "[ . 1 . 2]" 1
608 1 34 VAL QG 1 39 ASN HD22 4.150 3.150 5.150 4.343 2.973 4.909 0.177 19 0 "[ . 1 . 2]" 1
609 1 34 VAL QG 1 42 ALA H 4.240 3.240 5.240 4.690 4.449 5.033 . 0 0 "[ . 1 . 2]" 1
610 1 34 VAL QG 1 42 ALA HA 3.790 2.790 4.790 4.449 4.194 4.662 . 0 0 "[ . 1 . 2]" 1
611 1 34 VAL QG 1 42 ALA MB 2.120 . 3.120 2.215 2.009 2.383 . 0 0 "[ . 1 . 2]" 1
612 1 34 VAL QG 1 43 ALA H 4.190 3.190 5.190 4.924 4.685 5.181 . 0 0 "[ . 1 . 2]" 1
613 1 35 ASP H 1 35 ASP HB2 2.750 . 3.750 2.680 2.275 3.552 . 0 0 "[ . 1 . 2]" 1
614 1 35 ASP H 1 35 ASP QB 2.020 . 3.020 2.428 2.146 2.675 . 0 0 "[ . 1 . 2]" 1
615 1 35 ASP H 1 35 ASP HB3 2.750 . 3.750 3.184 2.518 3.616 . 0 0 "[ . 1 . 2]" 1
616 1 35 ASP H 1 36 ILE H 3.200 2.200 4.200 2.919 2.699 3.160 . 0 0 "[ . 1 . 2]" 1
617 1 35 ASP H 1 39 ASN QB 4.230 3.230 5.230 4.663 3.874 6.730 1.500 8 3 "[ . + 1 -. *2]" 1
618 1 35 ASP H 1 42 ALA MB 4.020 3.020 5.020 4.495 3.857 5.148 0.128 2 0 "[ . 1 . 2]" 1
619 1 35 ASP HA 1 36 ILE H 2.330 . 3.330 3.234 3.119 3.341 0.011 17 0 "[ . 1 . 2]" 1
620 1 35 ASP HA 1 37 GLU H 3.370 2.370 4.370 3.786 3.584 4.029 . 0 0 "[ . 1 . 2]" 1
621 1 35 ASP HB2 1 36 ILE H 3.580 2.580 4.580 3.939 3.455 4.477 . 0 0 "[ . 1 . 2]" 1
622 1 35 ASP HB3 1 36 ILE H 3.580 2.580 4.580 4.221 3.624 4.593 0.013 8 0 "[ . 1 . 2]" 1
623 1 36 ILE H 1 36 ILE MD 2.900 . 3.900 3.920 3.698 4.138 0.238 8 0 "[ . 1 . 2]" 1
624 1 36 ILE H 1 36 ILE QG 3.890 2.890 3.970 2.334 2.129 2.532 0.761 19 13 "[** ***- *1* ** * +*]" 1
625 1 36 ILE H 1 36 ILE MG 1.980 . 2.980 2.119 2.047 2.232 . 0 0 "[ . 1 . 2]" 1
626 1 36 ILE H 1 38 HIS H 3.990 2.990 4.990 4.562 4.405 5.082 0.092 3 0 "[ . 1 . 2]" 1
627 1 36 ILE HA 1 36 ILE MD 3.590 2.590 4.590 4.117 3.833 4.190 . 0 0 "[ . 1 . 2]" 1
628 1 36 ILE HA 1 36 ILE MG 2.380 . 3.380 2.307 2.258 2.364 . 0 0 "[ . 1 . 2]" 1
629 1 36 ILE HA 1 37 GLU QB 4.340 3.340 5.340 5.221 5.007 5.457 0.117 11 0 "[ . 1 . 2]" 1
630 1 36 ILE HA 1 38 HIS H 4.160 3.160 5.160 3.920 3.676 4.468 . 0 0 "[ . 1 . 2]" 1
631 1 36 ILE HA 1 39 ASN H 2.800 . 3.800 3.084 2.829 3.388 . 0 0 "[ . 1 . 2]" 1
632 1 36 ILE HA 1 39 ASN QB 3.280 2.280 4.280 2.731 2.165 4.362 0.115 9 0 "[ . 1 . 2]" 1
633 1 36 ILE HA 1 42 ALA MB 2.880 . 3.880 3.071 2.485 3.325 . 0 0 "[ . 1 . 2]" 1
634 1 36 ILE HA 1 43 ALA H 3.220 2.220 4.220 3.475 3.250 3.906 . 0 0 "[ . 1 . 2]" 1
635 1 36 ILE HA 1 43 ALA MB 3.180 2.180 4.180 2.896 2.509 3.306 . 0 0 "[ . 1 . 2]" 1
636 1 36 ILE HB 1 36 ILE MD 2.370 . 3.370 2.323 2.216 2.397 . 0 0 "[ . 1 . 2]" 1
637 1 36 ILE HB 1 37 GLU HA 3.890 2.890 4.890 4.410 3.951 4.699 . 0 0 "[ . 1 . 2]" 1
638 1 36 ILE HB 1 43 ALA H 3.380 2.380 4.380 3.705 3.369 3.901 . 0 0 "[ . 1 . 2]" 1
639 1 36 ILE HB 1 43 ALA HA 2.630 . 3.630 2.433 2.206 2.893 . 0 0 "[ . 1 . 2]" 1
640 1 36 ILE HB 1 43 ALA MB 2.180 . 3.180 2.216 2.000 2.436 . 0 0 "[ . 1 . 2]" 1
641 1 36 ILE HB 1 44 GLU H 4.290 3.290 5.290 5.395 5.223 5.678 0.388 15 0 "[ . 1 . 2]" 1
642 1 36 ILE HB 1 46 VAL H 4.500 3.500 5.500 5.550 5.230 5.931 0.431 15 0 "[ . 1 . 2]" 1
643 1 36 ILE MD 1 36 ILE MG 2.020 . 3.020 2.069 1.847 2.961 . 0 0 "[ . 1 . 2]" 1
644 1 36 ILE MD 1 37 GLU HA 3.430 2.430 4.430 4.243 3.077 4.468 0.038 15 0 "[ . 1 . 2]" 1
645 1 36 ILE MD 1 43 ALA HA 2.600 . 3.600 3.199 2.932 3.546 . 0 0 "[ . 1 . 2]" 1
646 1 36 ILE MD 1 43 ALA MB 3.050 2.050 4.050 3.405 2.992 3.701 . 0 0 "[ . 1 . 2]" 1
647 1 36 ILE MD 1 46 VAL H 4.180 3.180 5.180 4.962 4.732 5.369 0.189 4 0 "[ . 1 . 2]" 1
648 1 36 ILE MD 1 46 VAL HA 4.500 3.500 5.500 5.222 5.025 5.514 0.014 4 0 "[ . 1 . 2]" 1
649 1 36 ILE MD 1 54 ARG QB 3.990 2.990 4.990 4.654 3.430 5.118 0.128 8 0 "[ . 1 . 2]" 1
650 1 36 ILE MD 1 54 ARG QD 3.230 2.230 4.230 3.629 2.500 4.277 0.047 16 0 "[ . 1 . 2]" 1
651 1 36 ILE QG 1 37 GLU H 3.130 2.130 4.130 2.347 2.183 2.567 . 0 0 "[ . 1 . 2]" 1
652 1 36 ILE QG 1 37 GLU HA 3.240 2.240 4.240 3.393 3.168 4.230 . 0 0 "[ . 1 . 2]" 1
653 1 36 ILE QG 1 37 GLU QB 2.870 . 3.870 3.343 3.058 4.075 0.205 15 0 "[ . 1 . 2]" 1
654 1 36 ILE QG 1 54 ARG QD 4.340 3.340 5.340 5.474 4.454 6.182 0.842 16 9 "[* * * *1 **+* -]" 1
655 1 36 ILE MG 1 39 ASN QB . 3.500 4.360 3.893 3.421 5.245 0.885 8 3 "[ . + 1 *. -2]" 1
656 1 36 ILE MG 1 39 ASN HD21 3.270 2.270 4.270 3.587 3.095 3.916 . 0 0 "[ . 1 . 2]" 1
657 1 36 ILE MG 1 39 ASN HD22 3.810 2.810 4.810 4.577 3.008 4.841 0.031 7 0 "[ . 1 . 2]" 1
658 1 36 ILE MG 1 42 ALA H 3.710 2.710 4.710 3.734 3.519 3.885 . 0 0 "[ . 1 . 2]" 1
659 1 36 ILE MG 1 42 ALA MB 2.490 . 3.490 1.955 1.809 2.092 . 0 0 "[ . 1 . 2]" 1
660 1 36 ILE MG 1 43 ALA H 2.960 . 3.960 2.913 2.777 3.185 . 0 0 "[ . 1 . 2]" 1
661 1 36 ILE MG 1 43 ALA HA 2.650 . 3.650 2.466 2.218 2.658 . 0 0 "[ . 1 . 2]" 1
662 1 36 ILE MG 1 43 ALA MB 2.380 . 3.380 3.044 2.843 3.342 . 0 0 "[ . 1 . 2]" 1
663 1 36 ILE MG 1 45 PHE QD 3.950 2.950 4.950 4.900 4.605 5.007 0.057 12 0 "[ . 1 . 2]" 1
664 1 36 ILE MG 1 46 VAL H 3.770 2.770 4.770 4.119 3.901 4.307 . 0 0 "[ . 1 . 2]" 1
665 1 36 ILE MG 1 46 VAL QG 2.540 . 3.540 2.127 1.921 2.365 . 0 0 "[ . 1 . 2]" 1
666 1 36 ILE MG 1 54 ARG QD 4.340 3.340 5.340 5.114 4.499 5.403 0.063 1 0 "[ . 1 . 2]" 1
667 1 37 GLU H 1 37 GLU HB2 2.700 . 3.700 2.853 2.333 3.645 . 0 0 "[ . 1 . 2]" 1
668 1 37 GLU H 1 37 GLU QB 1.900 . 2.900 2.336 2.154 2.631 . 0 0 "[ . 1 . 2]" 1
669 1 37 GLU H 1 37 GLU HB3 2.700 . 3.700 2.610 2.405 3.574 . 0 0 "[ . 1 . 2]" 1
670 1 37 GLU H 1 37 GLU QG 3.170 2.170 4.170 3.212 2.013 3.978 0.157 2 0 "[ . 1 . 2]" 1
671 1 37 GLU H 1 38 HIS H 2.130 . 3.130 2.571 2.343 2.810 . 0 0 "[ . 1 . 2]" 1
672 1 37 GLU H 1 39 ASN H 3.050 2.050 4.050 3.785 3.609 4.000 . 0 0 "[ . 1 . 2]" 1
673 1 37 GLU HA 1 37 GLU QG 3.170 2.170 4.170 2.795 2.323 3.468 . 0 0 "[ . 1 . 2]" 1
674 1 37 GLU HA 1 39 ASN H 3.490 2.490 4.490 4.609 3.770 4.975 0.485 4 0 "[ . 1 . 2]" 1
675 1 37 GLU QB 1 38 HIS H 3.310 2.310 4.310 2.953 2.190 3.782 0.120 3 0 "[ . 1 . 2]" 1
676 1 37 GLU QB 1 39 ASN H 3.780 2.780 4.780 4.685 4.133 5.339 0.559 17 2 "[ .- 1 . + 2]" 1
677 1 38 HIS H 1 38 HIS QB 2.640 . 3.640 2.540 2.287 3.127 . 0 0 "[ . 1 . 2]" 1
678 1 38 HIS H 1 39 ASN H 2.200 . 3.200 2.084 1.834 2.364 . 0 0 "[ . 1 . 2]" 1
679 1 38 HIS HA 1 38 HIS HD2 3.610 2.610 4.610 3.871 2.795 4.584 . 0 0 "[ . 1 . 2]" 1
680 1 38 HIS HA 1 39 ASN H 2.350 . 3.350 3.399 2.933 3.536 0.186 5 0 "[ . 1 . 2]" 1
681 1 38 HIS QB 1 39 ASN H 3.420 2.420 4.420 2.969 2.327 4.022 0.093 6 0 "[ . 1 . 2]" 1
682 1 39 ASN H 1 39 ASN QB 2.340 . 3.340 2.522 2.215 3.237 . 0 0 "[ . 1 . 2]" 1
683 1 39 ASN H 1 39 ASN HD21 4.000 3.000 5.000 4.542 3.148 4.927 . 0 0 "[ . 1 . 2]" 1
684 1 39 ASN H 1 40 ARG HA 4.350 3.350 5.350 4.923 4.161 5.329 . 0 0 "[ . 1 . 2]" 1
685 1 39 ASN H 1 42 ALA MB 4.110 3.110 5.110 5.169 4.583 5.383 0.273 5 0 "[ . 1 . 2]" 1
686 1 39 ASN H 1 43 ALA H 4.300 3.300 5.300 5.523 4.833 5.965 0.665 10 3 "[- * + . 2]" 1
687 1 39 ASN H 1 43 ALA MB 3.630 2.630 4.630 4.474 3.591 4.920 0.290 10 0 "[ . 1 . 2]" 1
688 1 39 ASN HA 1 39 ASN HD21 3.620 2.620 4.620 4.284 3.767 4.415 . 0 0 "[ . 1 . 2]" 1
689 1 39 ASN HA 1 41 ALA H 3.500 2.500 4.500 3.568 3.396 3.978 . 0 0 "[ . 1 . 2]" 1
690 1 39 ASN QB 1 39 ASN HD21 2.450 . 3.450 2.150 1.986 2.731 . 0 0 "[ . 1 . 2]" 1
691 1 39 ASN QB 1 41 ALA H 4.500 3.500 4.930 3.885 2.763 4.608 0.737 8 2 "[ . + 1 -. 2]" 1
692 1 39 ASN QB 1 42 ALA H 3.190 2.190 4.190 3.494 3.097 3.966 . 0 0 "[ . 1 . 2]" 1
693 1 39 ASN QB 1 42 ALA MB . 2.830 3.520 3.293 2.996 4.199 0.679 14 2 "[ . 1 +. -2]" 1
694 1 39 ASN QB 1 43 ALA H 3.970 2.970 4.970 4.278 3.949 4.952 . 0 0 "[ . 1 . 2]" 1
695 1 39 ASN HD21 1 41 ALA HA 4.500 3.500 5.500 5.622 5.393 5.710 0.210 4 0 "[ . 1 . 2]" 1
696 1 39 ASN HD21 1 42 ALA MB 2.800 . 3.800 2.033 1.879 2.441 . 0 0 "[ . 1 . 2]" 1
697 1 39 ASN HD21 1 43 ALA MB 3.900 2.900 4.900 4.842 3.839 4.979 0.079 16 0 "[ . 1 . 2]" 1
698 1 39 ASN HD22 1 41 ALA MB 3.550 2.550 4.550 2.792 2.420 4.596 0.130 7 0 "[ . 1 . 2]" 1
699 1 39 ASN HD22 1 42 ALA H 3.460 2.460 4.460 2.479 2.079 3.882 0.381 13 0 "[ . 1 . 2]" 1
700 1 39 ASN HD22 1 42 ALA HA 4.210 3.210 5.210 4.320 4.032 5.252 0.042 8 0 "[ . 1 . 2]" 1
701 1 39 ASN HD22 1 42 ALA MB 3.070 2.070 4.070 2.522 2.052 2.637 0.018 14 0 "[ . 1 . 2]" 1
702 1 39 ASN HD22 1 43 ALA H 3.940 2.940 4.940 4.529 4.310 5.054 0.114 8 0 "[ . 1 . 2]" 1
703 1 40 ARG H 1 40 ARG QB 2.850 . 3.850 2.568 2.456 2.817 . 0 0 "[ . 1 . 2]" 1
704 1 40 ARG H 1 40 ARG QG 3.580 2.580 4.580 2.265 2.033 3.351 0.547 11 3 "[ . 1+ . - *]" 1
705 1 40 ARG H 1 41 ALA H 3.070 2.070 4.070 2.622 2.488 2.906 . 0 0 "[ . 1 . 2]" 1
706 1 40 ARG H 1 42 ALA H 4.060 3.060 5.060 4.658 4.421 4.913 . 0 0 "[ . 1 . 2]" 1
707 1 40 ARG HA 1 40 ARG QG 2.560 . 3.560 3.385 3.331 3.518 . 0 0 "[ . 1 . 2]" 1
708 1 40 ARG HA 1 43 ALA H 2.350 . 3.350 3.260 2.851 3.648 0.298 5 0 "[ . 1 . 2]" 1
709 1 40 ARG HA 1 43 ALA MB 2.320 . 3.320 2.110 1.921 2.474 . 0 0 "[ . 1 . 2]" 1
710 1 40 ARG QB 1 40 ARG QD 2.950 . 3.950 2.338 2.231 2.563 . 0 0 "[ . 1 . 2]" 1
711 1 40 ARG QB 1 41 ALA H 2.720 . 3.720 3.669 3.478 3.820 0.100 13 0 "[ . 1 . 2]" 1
712 1 40 ARG QB 1 42 ALA H 4.400 3.400 5.400 5.360 5.031 5.671 0.271 5 0 "[ . 1 . 2]" 1
713 1 40 ARG QD 1 41 ALA H 4.500 3.500 5.500 4.182 2.150 4.780 1.350 9 2 "[ - . +1 . 2]" 1
714 1 40 ARG QD 1 41 ALA MB 3.780 2.780 4.780 4.410 2.878 4.827 0.047 10 0 "[ . 1 . 2]" 1
715 1 40 ARG QG 1 41 ALA H 3.710 2.710 4.710 2.599 2.235 2.972 0.475 19 0 "[ . 1 . 2]" 1
716 1 40 ARG QG 1 41 ALA HA 4.040 3.040 5.040 3.347 3.040 4.280 . 0 0 "[ . 1 . 2]" 1
717 1 40 ARG QG 1 41 ALA MB 2.630 . 3.630 3.281 3.033 3.662 0.032 13 0 "[ . 1 . 2]" 1
718 1 41 ALA H 1 41 ALA MB 2.040 . 3.040 2.292 2.218 2.353 . 0 0 "[ . 1 . 2]" 1
719 1 41 ALA H 1 42 ALA H 2.090 . 3.090 2.742 2.626 2.889 . 0 0 "[ . 1 . 2]" 1
720 1 41 ALA H 1 43 ALA H 3.290 2.290 4.290 3.741 3.583 3.936 . 0 0 "[ . 1 . 2]" 1
721 1 41 ALA HA 1 44 GLU H 3.650 2.650 4.650 3.700 3.327 4.176 . 0 0 "[ . 1 . 2]" 1
722 1 41 ALA HA 1 44 GLU QB 3.670 2.670 4.670 3.347 2.709 3.775 . 0 0 "[ . 1 . 2]" 1
723 1 41 ALA MB 1 42 ALA H 2.240 . 3.240 2.663 2.290 2.892 . 0 0 "[ . 1 . 2]" 1
724 1 42 ALA H 1 42 ALA MB 1.830 . 2.830 2.301 2.259 2.328 . 0 0 "[ . 1 . 2]" 1
725 1 42 ALA H 1 43 ALA H 1.990 . 2.990 2.328 2.238 2.557 . 0 0 "[ . 1 . 2]" 1
726 1 42 ALA HA 1 43 ALA MB 4.500 3.500 5.500 4.950 4.914 5.022 . 0 0 "[ . 1 . 2]" 1
727 1 42 ALA HA 1 44 GLU H 3.860 2.860 4.860 4.139 3.753 4.441 . 0 0 "[ . 1 . 2]" 1
728 1 42 ALA HA 1 45 PHE H 2.440 . 3.440 3.196 3.030 3.443 0.003 8 0 "[ . 1 . 2]" 1
729 1 42 ALA HA 1 45 PHE QB 2.880 . 3.880 2.628 2.290 3.363 . 0 0 "[ . 1 . 2]" 1
730 1 42 ALA MB 1 43 ALA H 2.700 . 3.700 2.927 2.804 2.997 . 0 0 "[ . 1 . 2]" 1
731 1 42 ALA MB 1 43 ALA HA 4.070 3.070 5.070 3.938 3.884 3.988 . 0 0 "[ . 1 . 2]" 1
732 1 42 ALA MB 1 44 GLU H 3.690 2.690 4.690 4.647 4.416 4.770 0.080 9 0 "[ . 1 . 2]" 1
733 1 42 ALA MB 1 45 PHE H 3.470 2.470 4.470 4.364 4.219 4.552 0.082 8 0 "[ . 1 . 2]" 1
734 1 42 ALA MB 1 45 PHE QB 3.650 2.650 4.650 3.462 3.202 3.840 . 0 0 "[ . 1 . 2]" 1
735 1 42 ALA MB 1 45 PHE QD 3.780 2.780 4.780 4.218 3.661 4.779 . 0 0 "[ . 1 . 2]" 1
736 1 43 ALA H 1 43 ALA MB 1.920 . 2.920 2.227 2.198 2.275 . 0 0 "[ . 1 . 2]" 1
737 1 43 ALA HA 1 46 VAL H 3.090 2.090 4.090 3.313 3.146 3.453 . 0 0 "[ . 1 . 2]" 1
738 1 43 ALA HA 1 46 VAL HB 3.130 2.130 4.130 3.158 2.706 3.707 . 0 0 "[ . 1 . 2]" 1
739 1 43 ALA HA 1 46 VAL QG 3.300 2.300 4.300 2.330 2.268 2.467 0.032 20 0 "[ . 1 . 2]" 1
740 1 43 ALA MB 1 44 GLU H 2.220 . 3.220 2.570 2.381 2.760 . 0 0 "[ . 1 . 2]" 1
741 1 43 ALA MB 1 44 GLU QB 3.430 2.430 4.430 4.108 3.660 4.469 0.039 4 0 "[ . 1 . 2]" 1
742 1 43 ALA MB 1 45 PHE H 3.640 2.640 4.640 4.387 4.236 4.539 . 0 0 "[ . 1 . 2]" 1
743 1 43 ALA MB 1 46 VAL QG 3.260 2.260 4.260 3.536 3.433 3.666 . 0 0 "[ . 1 . 2]" 1
744 1 43 ALA MB 1 54 ARG QD 2.870 . 3.870 3.392 2.486 3.899 0.029 16 0 "[ . 1 . 2]" 1
745 1 44 GLU H 1 44 GLU HB2 2.660 . 3.660 2.405 2.222 2.598 . 0 0 "[ . 1 . 2]" 1
746 1 44 GLU H 1 44 GLU QB 1.880 . 2.880 2.316 2.115 2.540 . 0 0 "[ . 1 . 2]" 1
747 1 44 GLU H 1 44 GLU HB3 2.660 . 3.660 3.192 2.423 3.620 . 0 0 "[ . 1 . 2]" 1
748 1 44 GLU H 1 44 GLU HG2 3.000 . 4.000 3.460 2.106 4.566 0.566 3 6 "[ + . 1 * . -***]" 1
749 1 44 GLU H 1 44 GLU QG 2.280 . 3.280 3.028 2.092 4.039 0.759 13 8 "[ * . 1 *+ - ****]" 1
750 1 44 GLU H 1 44 GLU HG3 3.000 . 4.000 3.816 2.189 4.512 0.512 13 1 "[ . 1 + . 2]" 1
751 1 44 GLU H 1 45 PHE H 2.060 . 3.060 2.568 2.433 2.693 . 0 0 "[ . 1 . 2]" 1
752 1 44 GLU H 1 45 PHE HB2 4.280 3.280 5.280 4.981 4.715 5.210 . 0 0 "[ . 1 . 2]" 1
753 1 44 GLU H 1 45 PHE QB 3.530 2.530 4.530 4.339 4.178 4.478 . 0 0 "[ . 1 . 2]" 1
754 1 44 GLU H 1 45 PHE HB3 4.280 3.280 5.280 4.780 4.517 4.928 . 0 0 "[ . 1 . 2]" 1
755 1 44 GLU HA 1 44 GLU QG 2.660 . 3.660 2.772 2.397 3.125 . 0 0 "[ . 1 . 2]" 1
756 1 44 GLU HA 1 46 VAL H 3.690 2.690 4.690 4.156 3.891 4.506 . 0 0 "[ . 1 . 2]" 1
757 1 44 GLU QB 1 45 PHE H 3.040 2.040 4.040 2.754 2.439 3.031 . 0 0 "[ . 1 . 2]" 1
758 1 44 GLU QB 1 45 PHE HA 3.760 2.760 4.760 4.031 3.919 4.165 . 0 0 "[ . 1 . 2]" 1
759 1 44 GLU QG 1 45 PHE H 3.590 2.590 4.590 4.115 3.652 4.647 0.057 10 0 "[ . 1 . 2]" 1
760 1 44 GLU HG2 1 45 PHE H 4.220 3.220 5.220 4.698 3.800 5.292 0.072 10 0 "[ . 1 . 2]" 1
761 1 44 GLU HG3 1 45 PHE H 4.220 3.220 5.220 4.735 3.860 5.359 0.139 9 0 "[ . 1 . 2]" 1
762 1 45 PHE H 1 45 PHE HB2 2.200 . 3.200 2.614 2.468 2.718 . 0 0 "[ . 1 . 2]" 1
763 1 45 PHE H 1 45 PHE HB3 2.200 . 3.200 2.490 2.394 2.545 . 0 0 "[ . 1 . 2]" 1
764 1 45 PHE H 1 45 PHE QD 3.240 2.240 4.240 4.203 4.158 4.229 . 0 0 "[ . 1 . 2]" 1
765 1 45 PHE H 1 46 VAL H 2.280 . 3.280 2.548 2.396 2.667 . 0 0 "[ . 1 . 2]" 1
766 1 45 PHE H 1 46 VAL QG 3.700 2.700 4.700 3.788 3.656 3.968 . 0 0 "[ . 1 . 2]" 1
767 1 45 PHE HA 1 45 PHE QD 2.570 . 3.570 2.660 2.409 2.955 . 0 0 "[ . 1 . 2]" 1
768 1 45 PHE HA 1 45 PHE QE 4.190 3.190 5.190 4.616 4.544 4.715 . 0 0 "[ . 1 . 2]" 1
769 1 45 PHE HA 1 48 SER H 3.770 2.770 4.770 3.204 2.941 3.436 . 0 0 "[ . 1 . 2]" 1
770 1 45 PHE HA 1 49 VAL H 4.500 3.500 5.500 4.300 3.798 5.250 . 0 0 "[ . 1 . 2]" 1
771 1 45 PHE QB 1 46 VAL H 2.580 . 3.580 2.712 2.450 2.850 . 0 0 "[ . 1 . 2]" 1
772 1 45 PHE HB2 1 46 VAL H 3.190 2.190 4.190 3.972 3.807 4.085 . 0 0 "[ . 1 . 2]" 1
773 1 45 PHE HB3 1 46 VAL H 3.190 2.190 4.190 2.762 2.479 2.913 . 0 0 "[ . 1 . 2]" 1
774 1 45 PHE QD 1 46 VAL H 3.110 2.110 4.110 3.797 3.357 4.118 0.008 19 0 "[ . 1 . 2]" 1
775 1 45 PHE QD 1 46 VAL HA 3.590 2.590 4.590 3.837 3.155 4.284 . 0 0 "[ . 1 . 2]" 1
776 1 45 PHE QD 1 46 VAL QG 2.810 . 3.810 3.486 3.009 3.820 0.010 5 0 "[ . 1 . 2]" 1
777 1 45 PHE QD 1 49 VAL MG1 4.140 3.140 5.140 3.667 3.184 5.141 0.001 18 0 "[ . 1 . 2]" 1
778 1 45 PHE QD 1 49 VAL QG 3.350 2.350 4.350 3.360 3.075 3.619 . 0 0 "[ . 1 . 2]" 1
779 1 45 PHE QD 1 49 VAL MG2 4.140 3.140 5.140 4.183 3.275 5.164 0.024 6 0 "[ . 1 . 2]" 1
780 1 45 PHE QD 1 66 THR MG 4.500 3.500 5.500 4.882 4.160 5.427 . 0 0 "[ . 1 . 2]" 1
781 1 45 PHE QE 1 46 VAL H 4.500 3.500 5.500 5.791 5.395 6.053 0.553 20 1 "[ . 1 . +]" 1
782 1 45 PHE QE 1 49 VAL QG 2.700 . 3.700 2.945 2.640 3.489 . 0 0 "[ . 1 . 2]" 1
783 1 45 PHE QE 1 60 LYS HB2 3.420 2.420 4.420 4.098 3.531 4.442 0.022 9 0 "[ . 1 . 2]" 1
784 1 45 PHE QE 1 60 LYS QD 3.510 2.510 4.510 2.827 2.467 4.441 0.043 20 0 "[ . 1 . 2]" 1
785 1 45 PHE QE 1 60 LYS HE2 3.490 2.490 4.490 3.984 3.065 4.566 0.076 13 0 "[ . 1 . 2]" 1
786 1 45 PHE QE 1 60 LYS QE 2.780 . 3.780 3.288 2.408 3.814 0.034 6 0 "[ . 1 . 2]" 1
787 1 45 PHE QE 1 60 LYS HE3 3.490 2.490 4.490 3.753 2.518 5.095 0.605 7 1 "[ . + 1 . 2]" 1
788 1 45 PHE QE 1 60 LYS QG 3.840 2.840 4.840 4.328 3.525 4.786 . 0 0 "[ . 1 . 2]" 1
789 1 45 PHE QE 1 66 THR MG 3.160 2.160 4.160 3.355 2.244 4.150 . 0 0 "[ . 1 . 2]" 1
790 1 45 PHE HZ 1 60 LYS QD 4.210 3.210 5.210 3.808 3.172 4.823 0.038 3 0 "[ . 1 . 2]" 1
791 1 45 PHE HZ 1 60 LYS QE 3.730 2.730 4.730 3.559 2.716 4.764 0.034 20 0 "[ . 1 . 2]" 1
792 1 45 PHE HZ 1 60 LYS QG 4.430 3.430 5.430 4.854 4.309 5.388 . 0 0 "[ . 1 . 2]" 1
793 1 46 VAL H 1 46 VAL HB 2.220 . 3.220 2.603 2.523 2.670 . 0 0 "[ . 1 . 2]" 1
794 1 46 VAL H 1 46 VAL MG1 3.040 2.040 4.040 3.783 3.757 3.807 . 0 0 "[ . 1 . 2]" 1
795 1 46 VAL H 1 46 VAL QG 2.020 . 3.020 2.001 1.919 2.105 . 0 0 "[ . 1 . 2]" 1
796 1 46 VAL H 1 46 VAL MG2 3.040 2.040 4.040 2.008 1.925 2.116 0.115 8 0 "[ . 1 . 2]" 1
797 1 46 VAL H 1 47 GLY H 2.260 . 3.260 2.650 2.507 2.850 . 0 0 "[ . 1 . 2]" 1
798 1 46 VAL H 1 48 SER H 3.520 2.520 4.520 3.958 3.705 4.239 . 0 0 "[ . 1 . 2]" 1
799 1 46 VAL H 1 48 SER QB 4.330 3.330 5.330 4.849 4.471 5.266 . 0 0 "[ . 1 . 2]" 1
800 1 46 VAL H 1 49 VAL H 4.500 3.500 5.500 4.834 4.671 5.230 . 0 0 "[ . 1 . 2]" 1
801 1 46 VAL HA 1 46 VAL MG1 3.110 2.110 4.110 2.405 2.362 2.462 . 0 0 "[ . 1 . 2]" 1
802 1 46 VAL HA 1 46 VAL MG2 3.110 2.110 4.110 2.414 2.336 2.484 . 0 0 "[ . 1 . 2]" 1
803 1 46 VAL HA 1 48 SER H 3.740 2.740 4.740 4.178 3.743 4.772 0.032 10 0 "[ . 1 . 2]" 1
804 1 46 VAL HA 1 48 SER QB 4.500 3.500 5.500 4.962 4.607 5.466 . 0 0 "[ . 1 . 2]" 1
805 1 46 VAL HA 1 49 VAL H 3.380 2.380 4.380 3.493 3.237 3.867 . 0 0 "[ . 1 . 2]" 1
806 1 46 VAL HA 1 49 VAL QG 2.510 . 3.510 2.176 1.932 2.871 . 0 0 "[ . 1 . 2]" 1
807 1 46 VAL HA 1 50 ASN QD 4.340 3.340 5.340 3.938 3.289 4.809 0.051 17 0 "[ . 1 . 2]" 1
808 1 46 VAL HA 1 58 THR HB 4.500 3.500 5.500 5.125 4.722 5.517 0.017 6 0 "[ . 1 . 2]" 1
809 1 46 VAL HA 1 58 THR MG 3.580 2.580 4.580 4.101 3.526 4.564 . 0 0 "[ . 1 . 2]" 1
810 1 46 VAL HB 1 47 GLY H 2.570 . 3.570 2.587 2.243 2.898 . 0 0 "[ . 1 . 2]" 1
811 1 46 VAL QG 1 47 GLY H 2.730 . 3.730 3.209 2.921 3.388 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL QG 1 49 VAL QG 2.550 . 3.550 3.001 2.752 3.425 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL QG 1 50 ASN QD 2.300 . 3.300 2.553 1.893 3.345 0.045 1 0 "[ . 1 . 2]" 1
814 1 46 VAL QG 1 54 ARG HA 2.940 . 3.940 3.021 2.095 3.718 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL QG 1 54 ARG QB 3.630 2.630 4.630 3.027 2.578 3.828 0.052 15 0 "[ . 1 . 2]" 1
816 1 46 VAL QG 1 54 ARG QG 3.040 2.040 4.040 2.487 2.010 3.073 0.030 2 0 "[ . 1 . 2]" 1
817 1 46 VAL QG 1 55 THR H 2.620 . 3.620 3.523 2.896 4.285 0.665 9 1 "[ . +1 . 2]" 1
818 1 46 VAL QG 1 58 THR H 4.440 3.440 5.440 4.507 4.233 4.772 . 0 0 "[ . 1 . 2]" 1
819 1 46 VAL QG 1 58 THR HB 3.140 2.140 4.140 3.326 3.219 3.489 . 0 0 "[ . 1 . 2]" 1
820 1 46 VAL MG1 1 47 GLY H 3.390 2.390 4.390 3.506 3.062 3.751 . 0 0 "[ . 1 . 2]" 1
821 1 46 VAL MG1 1 58 THR HB 4.500 3.500 5.500 3.475 3.393 3.688 0.107 2 0 "[ . 1 . 2]" 1
822 1 46 VAL MG2 1 47 GLY H 3.390 2.390 4.390 3.738 3.640 3.861 . 0 0 "[ . 1 . 2]" 1
823 1 46 VAL MG2 1 58 THR HB 4.500 3.500 5.500 4.291 3.771 4.727 . 0 0 "[ . 1 . 2]" 1
824 1 47 GLY H 1 49 VAL H 3.450 2.450 4.450 4.188 3.956 4.416 . 0 0 "[ . 1 . 2]" 1
825 1 47 GLY H 1 54 ARG HA 3.770 2.770 4.770 5.274 3.820 6.875 2.105 12 9 "[ **.* -*1 + *** 2]" 1
826 1 47 GLY H 1 54 ARG QD 4.180 3.180 5.180 3.949 2.475 5.187 0.705 9 1 "[ . +1 . 2]" 1
827 1 47 GLY QA 1 50 ASN H 3.680 2.680 4.680 3.475 3.052 3.783 . 0 0 "[ . 1 . 2]" 1
828 1 48 SER H 1 48 SER QB 1.900 . 2.900 2.358 2.209 2.510 . 0 0 "[ . 1 . 2]" 1
829 1 48 SER H 1 49 VAL H 2.280 . 3.280 2.593 2.389 2.855 . 0 0 "[ . 1 . 2]" 1
830 1 48 SER H 1 49 VAL MG1 4.330 3.330 5.330 4.288 3.795 5.740 0.410 18 0 "[ . 1 . 2]" 1
831 1 48 SER H 1 49 VAL QG 3.530 2.530 4.530 3.734 3.484 4.219 . 0 0 "[ . 1 . 2]" 1
832 1 48 SER H 1 49 VAL MG2 4.330 3.330 5.330 4.529 3.738 6.147 0.817 10 6 "[ * .*** + - . 2]" 1
833 1 48 SER H 1 50 ASN H 3.650 2.650 4.650 3.987 3.741 4.225 . 0 0 "[ . 1 . 2]" 1
834 1 48 SER HA 1 49 VAL QG 4.380 3.380 5.380 4.609 4.277 4.997 . 0 0 "[ . 1 . 2]" 1
835 1 48 SER HA 1 50 ASN H 3.900 2.900 4.900 4.328 3.767 4.748 . 0 0 "[ . 1 . 2]" 1
836 1 48 SER QB 1 49 VAL H 3.070 2.070 4.070 2.704 2.474 2.999 . 0 0 "[ . 1 . 2]" 1
837 1 48 SER QB 1 49 VAL QG 3.710 2.710 4.710 3.234 2.766 4.116 . 0 0 "[ . 1 . 2]" 1
838 1 49 VAL H 1 49 VAL HB 2.900 . 3.900 3.330 2.508 3.782 . 0 0 "[ . 1 . 2]" 1
839 1 49 VAL H 1 49 VAL MG1 2.610 . 3.610 2.480 2.093 3.802 0.192 18 0 "[ . 1 . 2]" 1
840 1 49 VAL H 1 49 VAL QG 2.010 . 3.010 2.041 1.940 2.289 . 0 0 "[ . 1 . 2]" 1
841 1 49 VAL H 1 49 VAL MG2 2.610 . 3.610 2.606 2.016 3.842 0.232 6 0 "[ . 1 . 2]" 1
842 1 49 VAL H 1 50 ASN H 2.030 . 3.030 2.466 2.229 2.641 . 0 0 "[ . 1 . 2]" 1
843 1 49 VAL H 1 50 ASN QD 3.720 2.720 4.720 4.683 3.815 5.669 0.949 6 5 "[- .+* 1 * .* 2]" 1
844 1 49 VAL HA 1 49 VAL MG1 3.030 2.030 4.030 2.618 2.310 3.254 . 0 0 "[ . 1 . 2]" 1
845 1 49 VAL HA 1 49 VAL MG2 3.030 2.030 4.030 2.924 2.292 3.238 . 0 0 "[ . 1 . 2]" 1
846 1 49 VAL HB 1 50 ASN H 3.580 2.580 4.580 4.035 2.722 4.446 . 0 0 "[ . 1 . 2]" 1
847 1 49 VAL QG 1 50 ASN H 2.670 . 3.670 2.663 2.267 3.343 . 0 0 "[ . 1 . 2]" 1
848 1 49 VAL QG 1 50 ASN HA 4.440 3.440 5.440 3.648 3.392 4.211 0.048 13 0 "[ . 1 . 2]" 1
849 1 49 VAL QG 1 50 ASN QD 2.540 . 3.540 2.594 1.941 3.381 . 0 0 "[ . 1 . 2]" 1
850 1 49 VAL QG 1 58 THR MG 2.160 . 3.160 2.335 2.025 2.607 . 0 0 "[ . 1 . 2]" 1
851 1 49 VAL QG 1 66 THR HB 3.310 2.310 4.310 3.168 2.548 3.677 . 0 0 "[ . 1 . 2]" 1
852 1 49 VAL QG 1 66 THR MG 1.980 . 2.980 2.312 1.941 2.727 . 0 0 "[ . 1 . 2]" 1
853 1 49 VAL MG1 1 66 THR MG 2.400 . 3.400 2.706 2.100 3.415 0.015 16 0 "[ . 1 . 2]" 1
854 1 49 VAL MG2 1 66 THR MG 2.400 . 3.400 2.774 1.998 3.462 0.062 12 0 "[ . 1 . 2]" 1
855 1 50 ASN H 1 50 ASN HB2 2.820 . 3.820 2.714 2.399 3.958 0.138 12 0 "[ . 1 . 2]" 1
856 1 50 ASN H 1 50 ASN QB 2.250 . 3.250 2.567 2.365 3.243 . 0 0 "[ . 1 . 2]" 1
857 1 50 ASN H 1 50 ASN HB3 2.820 . 3.820 3.593 2.972 3.799 . 0 0 "[ . 1 . 2]" 1
858 1 50 ASN H 1 50 ASN QD 3.590 2.590 4.590 3.339 2.686 4.230 . 0 0 "[ . 1 . 2]" 1
859 1 50 ASN H 1 51 GLY H 2.900 . 3.900 3.385 2.025 4.536 0.636 4 5 "[ -+. 1 * .* * 2]" 1
860 1 50 ASN H 1 51 GLY QA 3.950 2.950 4.950 4.391 3.968 5.094 0.144 18 0 "[ . 1 . 2]" 1
861 1 50 ASN QB 1 50 ASN QD 2.190 . 3.190 2.295 2.105 2.738 . 0 0 "[ . 1 . 2]" 1
862 1 50 ASN QB 1 52 GLY H 3.970 2.970 4.970 4.680 2.817 5.950 0.980 12 4 "[ * .- 1 + . *]" 1
863 1 50 ASN QB 1 53 ASN H 3.420 2.420 4.420 4.212 2.813 5.620 1.200 3 4 "[ + . *1 - .* 2]" 1
864 1 50 ASN HB2 1 55 THR H 3.250 2.250 4.250 3.388 2.525 4.269 0.019 9 0 "[ . 1 . 2]" 1
865 1 50 ASN HB3 1 55 THR H 3.250 2.250 4.250 3.352 2.394 4.725 0.475 20 0 "[ . 1 . 2]" 1
866 1 50 ASN QD 1 55 THR H 2.780 . 3.780 3.024 2.323 3.480 . 0 0 "[ . 1 . 2]" 1
867 1 50 ASN QD 1 55 THR MG 4.160 3.160 5.160 3.957 3.579 4.568 . 0 0 "[ . 1 . 2]" 1
868 1 50 ASN QD 1 58 THR HB 4.340 3.340 5.340 3.610 3.305 4.527 0.035 6 0 "[ . 1 . 2]" 1
869 1 50 ASN QD 1 58 THR MG 2.560 . 3.560 2.442 2.151 3.042 . 0 0 "[ . 1 . 2]" 1
870 1 50 ASN HD21 1 55 THR H 3.510 2.510 4.510 3.618 2.592 4.452 . 0 0 "[ . 1 . 2]" 1
871 1 50 ASN HD21 1 55 THR HB 3.660 2.660 4.660 3.468 2.631 4.515 0.029 13 0 "[ . 1 . 2]" 1
872 1 50 ASN HD21 1 58 THR MG 3.180 2.180 4.180 3.292 2.405 3.884 . 0 0 "[ . 1 . 2]" 1
873 1 50 ASN HD22 1 55 THR H 3.510 2.510 4.510 3.497 2.387 4.480 0.123 14 0 "[ . 1 . 2]" 1
874 1 50 ASN HD22 1 55 THR HB 3.660 2.660 4.660 2.802 2.627 3.251 0.033 6 0 "[ . 1 . 2]" 1
875 1 50 ASN HD22 1 58 THR MG 3.180 2.180 4.180 2.644 2.181 3.710 . 0 0 "[ . 1 . 2]" 1
876 1 51 GLY H 1 52 GLY H 2.760 . 3.760 3.780 2.387 4.569 0.809 6 10 "[ -**.+ 1 ** *** *]" 1
877 1 51 GLY QA 1 52 GLY H 2.330 . 3.330 2.240 2.052 2.695 . 0 0 "[ . 1 . 2]" 1
878 1 51 GLY QA 1 53 ASN H 4.430 3.430 5.430 4.072 3.229 4.963 0.201 2 0 "[ . 1 . 2]" 1
879 1 52 GLY H 1 53 ASN H 2.390 . 3.390 3.122 1.736 4.325 0.935 16 7 "[ **. *1 -* *+ 2]" 1
880 1 52 GLY H 1 53 ASN HA 4.070 3.070 5.070 5.105 4.348 5.622 0.552 3 1 "[ + . 1 . 2]" 1
881 1 52 GLY HA3 1 53 ASN QB 3.460 2.460 4.460 4.373 3.864 4.893 0.433 7 0 "[ . 1 . 2]" 1
882 1 53 ASN H 1 53 ASN QB 2.890 . 3.360 2.521 2.298 3.125 . 0 0 "[ . 1 . 2]" 1
883 1 53 ASN H 1 53 ASN QD 4.060 3.060 5.060 3.891 2.331 4.826 0.729 7 5 "[ *.-+ *1 . *2]" 1
884 1 53 ASN QB 1 53 ASN QD 2.150 . 3.150 2.209 2.099 2.738 . 0 0 "[ . 1 . 2]" 1
885 1 53 ASN QB 1 55 THR H 4.190 3.190 4.350 4.380 3.075 5.734 1.384 4 6 "[ **+- 1 *. * 2]" 1
886 1 53 ASN QD 1 54 ARG H 4.340 3.340 5.340 4.363 3.274 5.520 0.180 7 0 "[ . 1 . 2]" 1
887 1 54 ARG H 1 55 THR H 3.380 2.380 4.380 4.057 3.337 4.519 0.139 4 0 "[ . 1 . 2]" 1
888 1 54 ARG HA 1 54 ARG QD 3.710 2.710 4.710 4.034 3.901 4.256 . 0 0 "[ . 1 . 2]" 1
889 1 54 ARG HA 1 55 THR H 2.020 . 3.020 2.158 2.009 2.373 . 0 0 "[ . 1 . 2]" 1
890 1 54 ARG QB 1 54 ARG QD 2.530 . 3.530 2.254 2.061 2.391 . 0 0 "[ . 1 . 2]" 1
891 1 54 ARG QB 1 55 THR H 3.350 2.350 4.350 3.710 2.903 4.011 . 0 0 "[ . 1 . 2]" 1
892 1 55 THR H 1 55 THR HB 2.040 . 3.040 2.613 2.413 2.763 . 0 0 "[ . 1 . 2]" 1
893 1 55 THR H 1 55 THR MG 2.950 . 3.950 3.692 3.556 3.813 . 0 0 "[ . 1 . 2]" 1
894 1 55 THR H 1 56 VAL H 3.640 2.640 4.640 4.481 4.310 4.643 0.003 9 0 "[ . 1 . 2]" 1
895 1 55 THR H 1 58 THR MG 4.450 3.450 5.450 5.507 4.984 6.091 0.641 16 2 "[ . 1 - .+ 2]" 1
896 1 55 THR HA 1 55 THR MG 2.180 . 3.180 2.261 2.205 2.350 . 0 0 "[ . 1 . 2]" 1
897 1 55 THR HA 1 56 VAL H 1.680 . 2.680 2.264 2.164 2.559 . 0 0 "[ . 1 . 2]" 1
898 1 55 THR HA 1 56 VAL QG 3.170 2.170 4.170 3.591 3.363 3.742 . 0 0 "[ . 1 . 2]" 1
899 1 55 THR HB 1 56 VAL H 3.570 2.570 4.570 4.018 3.547 4.256 . 0 0 "[ . 1 . 2]" 1
900 1 55 THR HB 1 58 THR MG 3.270 2.270 4.270 4.350 4.269 4.410 0.140 17 0 "[ . 1 . 2]" 1
901 1 55 THR HB 1 68 THR MG 2.920 . 3.920 2.357 1.955 2.775 . 0 0 "[ . 1 . 2]" 1
902 1 55 THR MG 1 56 VAL H 2.270 . 3.270 2.701 2.166 3.084 . 0 0 "[ . 1 . 2]" 1
903 1 55 THR MG 1 58 THR H 4.500 3.500 5.500 4.915 3.836 6.685 1.185 9 1 "[ . +1 . 2]" 1
904 1 55 THR MG 1 69 ASN QB 4.340 3.340 5.340 3.684 3.263 4.228 0.077 16 0 "[ . 1 . 2]" 1
905 1 55 THR MG 1 69 ASN QD 3.500 2.500 4.500 3.099 2.378 4.317 0.122 13 0 "[ . 1 . 2]" 1
906 1 56 VAL H 1 56 VAL MG1 3.240 2.240 4.240 3.727 3.178 3.969 . 0 0 "[ . 1 . 2]" 1
907 1 56 VAL H 1 56 VAL QG 2.270 . 3.270 2.183 1.952 2.444 . 0 0 "[ . 1 . 2]" 1
908 1 56 VAL H 1 56 VAL MG2 3.240 2.240 4.240 2.204 1.958 2.467 0.282 10 0 "[ . 1 . 2]" 1
909 1 56 VAL H 1 57 PRO HA 4.230 3.230 5.230 5.201 5.035 5.492 0.262 19 0 "[ . 1 . 2]" 1
910 1 56 VAL HA 1 58 THR H 2.580 . 3.580 3.980 3.579 4.372 0.792 5 6 "[ -+** *1 *. 2]" 1
911 1 56 VAL HB 1 57 PRO HA 2.600 . 3.600 3.614 3.412 3.692 0.092 8 0 "[ . 1 . 2]" 1
912 1 56 VAL HB 1 58 THR H 2.680 . 3.680 4.848 4.408 5.263 1.583 5 20 [****+*****-*********] 1
913 1 56 VAL QG 1 57 PRO HA 2.550 . 3.550 2.933 2.258 3.899 0.349 11 0 "[ . 1 . 2]" 1
914 1 56 VAL QG 1 57 PRO QD 4.170 3.170 5.170 2.991 2.951 3.038 0.219 4 0 "[ . 1 . 2]" 1
915 1 56 VAL QG 1 58 THR H 2.600 . 3.600 3.672 2.860 4.089 0.489 13 0 "[ . 1 . 2]" 1
916 1 56 VAL QG 1 58 THR HB 3.560 2.560 4.560 4.707 4.590 4.794 0.234 9 0 "[ . 1 . 2]" 1
917 1 56 VAL MG1 1 57 PRO HA 3.300 2.300 4.300 3.020 2.263 4.336 0.037 9 0 "[ . 1 . 2]" 1
918 1 56 VAL MG1 1 58 THR H 4.000 3.000 5.000 3.744 2.872 4.224 0.128 9 0 "[ . 1 . 2]" 1
919 1 56 VAL MG2 1 57 PRO HA 3.300 2.300 4.300 4.733 4.413 5.032 0.732 8 4 "[ . + * * .- 2]" 1
920 1 56 VAL MG2 1 58 THR H 4.000 3.000 5.000 5.391 5.108 5.599 0.599 17 4 "[ *- 1 *. + 2]" 1
921 1 57 PRO HA 1 58 THR H 2.050 . 3.050 2.354 2.177 2.711 . 0 0 "[ . 1 . 2]" 1
922 1 57 PRO QB 1 58 THR H 3.330 2.330 4.210 3.767 3.639 3.888 . 0 0 "[ . 1 . 2]" 1
923 1 57 PRO QB 1 69 ASN HA 4.450 3.450 5.450 3.717 3.364 4.461 0.086 7 0 "[ . 1 . 2]" 1
924 1 57 PRO QB 1 70 PRO QD 3.310 2.310 4.310 3.549 2.660 4.198 . 0 0 "[ . 1 . 2]" 1
925 1 57 PRO HG2 1 69 ASN H 3.410 2.410 4.410 3.428 2.745 4.008 . 0 0 "[ . 1 . 2]" 1
926 1 57 PRO HG2 1 70 PRO QD 3.810 2.810 4.810 4.024 3.072 4.769 . 0 0 "[ . 1 . 2]" 1
927 1 58 THR H 1 58 THR HB 2.550 . 3.550 2.390 2.129 3.108 . 0 0 "[ . 1 . 2]" 1
928 1 58 THR H 1 58 THR MG 3.280 2.280 4.280 3.692 3.503 3.825 . 0 0 "[ . 1 . 2]" 1
929 1 58 THR H 1 59 VAL H 3.720 2.720 4.720 4.285 4.120 4.481 . 0 0 "[ . 1 . 2]" 1
930 1 58 THR HA 1 58 THR MG 3.080 2.080 4.080 2.396 2.185 2.501 . 0 0 "[ . 1 . 2]" 1
931 1 58 THR HA 1 59 VAL H 1.940 . 2.940 2.183 2.133 2.282 . 0 0 "[ . 1 . 2]" 1
932 1 58 THR HA 1 67 LEU H 4.080 3.080 5.080 4.530 4.096 4.832 . 0 0 "[ . 1 . 2]" 1
933 1 58 THR HA 1 68 THR HA 2.980 . 3.980 2.311 2.053 2.629 . 0 0 "[ . 1 . 2]" 1
934 1 58 THR HA 1 69 ASN H 3.010 2.010 4.010 2.980 2.527 3.467 . 0 0 "[ . 1 . 2]" 1
935 1 58 THR HB 1 59 VAL H 3.800 2.800 4.800 4.168 3.941 4.298 . 0 0 "[ . 1 . 2]" 1
936 1 58 THR MG 1 59 VAL H 2.460 . 3.460 2.907 2.561 3.542 0.082 9 0 "[ . 1 . 2]" 1
937 1 58 THR MG 1 66 THR HA 3.830 2.830 4.830 4.214 3.778 4.688 . 0 0 "[ . 1 . 2]" 1
938 1 58 THR MG 1 66 THR HB 2.630 . 3.630 2.861 2.025 3.723 0.093 16 0 "[ . 1 . 2]" 1
939 1 58 THR MG 1 67 LEU H 3.550 2.550 4.550 3.604 2.985 3.984 . 0 0 "[ . 1 . 2]" 1
940 1 59 VAL H 1 59 VAL HB 2.700 . 3.700 3.048 2.843 3.300 . 0 0 "[ . 1 . 2]" 1
941 1 59 VAL H 1 59 VAL MG1 3.380 2.380 4.380 2.068 1.916 2.235 0.464 8 0 "[ . 1 . 2]" 1
942 1 59 VAL H 1 59 VAL QG 2.490 . 3.490 2.060 1.911 2.222 . 0 0 "[ . 1 . 2]" 1
943 1 59 VAL H 1 59 VAL MG2 3.380 2.380 4.380 3.853 3.786 3.944 . 0 0 "[ . 1 . 2]" 1
944 1 59 VAL H 1 60 LYS H 3.670 2.670 4.670 4.360 4.270 4.500 . 0 0 "[ . 1 . 2]" 1
945 1 59 VAL H 1 61 PHE QE 4.500 3.500 5.500 5.108 4.895 5.409 . 0 0 "[ . 1 . 2]" 1
946 1 59 VAL H 1 66 THR HA 4.020 3.020 5.020 4.613 4.314 4.976 . 0 0 "[ . 1 . 2]" 1
947 1 59 VAL H 1 66 THR HB 3.640 2.640 4.640 4.689 3.588 6.088 1.448 11 3 "[ . *1+ .- 2]" 1
948 1 59 VAL H 1 67 LEU H 2.560 . 3.560 2.962 2.757 3.143 . 0 0 "[ . 1 . 2]" 1
949 1 59 VAL H 1 67 LEU QB 3.480 2.480 4.480 3.604 3.433 3.791 . 0 0 "[ . 1 . 2]" 1
950 1 59 VAL H 1 68 THR HA 3.710 2.710 4.710 3.585 3.294 3.848 . 0 0 "[ . 1 . 2]" 1
951 1 59 VAL H 1 69 ASN H 4.030 3.030 5.030 4.284 3.742 4.784 . 0 0 "[ . 1 . 2]" 1
952 1 59 VAL H 1 70 PRO QD 4.120 3.120 5.120 3.690 3.257 4.234 . 0 0 "[ . 1 . 2]" 1
953 1 59 VAL HA 1 59 VAL MG1 2.910 . 3.910 3.191 3.175 3.220 . 0 0 "[ . 1 . 2]" 1
954 1 59 VAL HA 1 59 VAL MG2 2.910 . 3.910 2.422 2.367 2.481 . 0 0 "[ . 1 . 2]" 1
955 1 59 VAL HA 1 60 LYS H 2.000 . 3.000 2.121 2.056 2.225 . 0 0 "[ . 1 . 2]" 1
956 1 59 VAL HB 1 60 LYS H 3.210 2.210 4.210 4.089 4.013 4.211 0.001 16 0 "[ . 1 . 2]" 1
957 1 59 VAL HB 1 61 PHE QE 3.650 2.650 4.650 4.721 4.687 4.763 0.113 2 0 "[ . 1 . 2]" 1
958 1 59 VAL HB 1 67 LEU H 3.420 2.420 4.420 5.035 4.829 5.238 0.818 17 17 "[* ********-**** + **]" 1
959 1 59 VAL QG 1 60 LYS H 2.580 . 3.580 2.496 2.232 2.754 . 0 0 "[ . 1 . 2]" 1
960 1 59 VAL QG 1 61 PHE H 4.300 3.300 5.300 3.693 3.484 3.899 . 0 0 "[ . 1 . 2]" 1
961 1 59 VAL QG 1 61 PHE QE 2.700 . 3.700 2.165 2.146 2.220 . 0 0 "[ . 1 . 2]" 1
962 1 59 VAL QG 1 61 PHE HZ 2.850 . 3.850 2.806 2.506 3.174 . 0 0 "[ . 1 . 2]" 1
963 1 59 VAL QG 1 67 LEU H 2.970 . 3.970 2.571 2.411 2.768 . 0 0 "[ . 1 . 2]" 1
964 1 59 VAL QG 1 67 LEU QB 2.710 . 3.710 2.066 1.905 2.287 . 0 0 "[ . 1 . 2]" 1
965 1 59 VAL QG 1 67 LEU HG 3.720 2.720 4.720 4.150 3.131 4.660 . 0 0 "[ . 1 . 2]" 1
966 1 59 VAL QG 1 69 ASN H 4.430 3.430 5.430 4.355 3.973 4.730 . 0 0 "[ . 1 . 2]" 1
967 1 59 VAL QG 1 70 PRO QD 2.840 . 3.840 2.756 2.463 3.058 . 0 0 "[ . 1 . 2]" 1
968 1 59 VAL QG 1 70 PRO HG2 4.260 3.260 5.260 3.248 3.195 3.601 0.065 13 0 "[ . 1 . 2]" 1
969 1 59 VAL QG 1 70 PRO HG3 3.050 2.050 4.050 2.100 1.897 2.595 0.153 17 0 "[ . 1 . 2]" 1
970 1 59 VAL QG 1 75 VAL MG1 2.820 . 3.820 2.839 2.504 3.306 . 0 0 "[ . 1 . 2]" 1
971 1 59 VAL QG 1 75 VAL MG2 3.070 2.070 4.070 2.611 2.241 2.987 . 0 0 "[ . 1 . 2]" 1
972 1 59 VAL MG1 1 60 LYS H 3.490 2.490 4.490 3.895 3.586 4.086 . 0 0 "[ . 1 . 2]" 1
973 1 59 VAL MG1 1 61 PHE QE 3.310 2.310 4.310 2.210 2.177 2.285 0.133 19 0 "[ . 1 . 2]" 1
974 1 59 VAL MG1 1 61 PHE HZ 3.530 2.530 4.530 3.020 2.720 3.460 . 0 0 "[ . 1 . 2]" 1
975 1 59 VAL MG2 1 60 LYS H 3.490 2.490 4.490 2.527 2.255 2.802 0.235 18 0 "[ . 1 . 2]" 1
976 1 59 VAL MG2 1 61 PHE QE 3.310 2.310 4.310 3.127 2.943 3.505 . 0 0 "[ . 1 . 2]" 1
977 1 59 VAL MG2 1 61 PHE HZ 3.530 2.530 4.530 3.364 2.934 3.800 . 0 0 "[ . 1 . 2]" 1
978 1 60 LYS H 1 60 LYS HB2 3.070 2.070 4.070 2.937 2.777 3.139 . 0 0 "[ . 1 . 2]" 1
979 1 60 LYS H 1 60 LYS QG 3.180 2.180 4.180 4.004 3.945 4.076 . 0 0 "[ . 1 . 2]" 1
980 1 60 LYS H 1 61 PHE H 3.180 2.180 4.180 4.254 4.128 4.364 0.184 15 0 "[ . 1 . 2]" 1
981 1 60 LYS H 1 61 PHE HA 3.780 2.780 4.780 4.788 4.606 4.968 0.188 9 0 "[ . 1 . 2]" 1
982 1 60 LYS HA 1 61 PHE H 2.080 . 3.080 2.129 2.066 2.175 . 0 0 "[ . 1 . 2]" 1
983 1 60 LYS HA 1 61 PHE QD 3.510 2.510 4.510 3.664 3.022 4.108 . 0 0 "[ . 1 . 2]" 1
984 1 60 LYS HA 1 66 THR HA 2.750 . 3.750 2.239 2.050 2.502 . 0 0 "[ . 1 . 2]" 1
985 1 60 LYS HA 1 66 THR HB 3.690 2.690 4.690 4.164 3.592 4.721 0.031 11 0 "[ . 1 . 2]" 1
986 1 60 LYS HA 1 66 THR MG 2.380 . 3.380 2.396 2.045 2.778 . 0 0 "[ . 1 . 2]" 1
987 1 60 LYS HA 1 67 LEU H 3.500 2.500 4.500 3.619 3.455 3.814 . 0 0 "[ . 1 . 2]" 1
988 1 60 LYS HA 1 67 LEU QB 4.500 3.500 5.500 5.268 4.934 5.534 0.034 18 0 "[ . 1 . 2]" 1
989 1 60 LYS HB2 1 60 LYS HE2 3.440 2.440 4.440 4.110 2.951 4.494 0.054 8 0 "[ . 1 . 2]" 1
990 1 60 LYS HB2 1 60 LYS QE 2.840 . 3.840 3.584 2.177 3.969 0.129 7 0 "[ . 1 . 2]" 1
991 1 60 LYS HB2 1 60 LYS HE3 3.440 2.440 4.440 4.110 2.231 4.677 0.237 5 0 "[ . 1 . 2]" 1
992 1 60 LYS HB2 1 61 PHE H 3.450 2.450 4.450 4.296 4.156 4.447 . 0 0 "[ . 1 . 2]" 1
993 1 60 LYS HB2 1 66 THR MG 2.420 . 3.420 2.213 1.962 2.590 . 0 0 "[ . 1 . 2]" 1
994 1 60 LYS HB3 1 60 LYS QD 2.540 . 3.540 2.544 2.250 3.299 . 0 0 "[ . 1 . 2]" 1
995 1 60 LYS HB3 1 60 LYS QE 3.170 2.170 4.170 3.590 2.023 4.231 0.147 20 0 "[ . 1 . 2]" 1
996 1 60 LYS QE 1 60 LYS QG 2.470 . 3.470 2.342 2.103 2.847 . 0 0 "[ . 1 . 2]" 1
997 1 60 LYS QE 1 66 THR MG 3.450 2.450 4.450 3.753 2.888 4.499 0.049 9 0 "[ . 1 . 2]" 1
998 1 60 LYS HE2 1 60 LYS QG 3.140 2.140 4.140 2.599 2.263 3.526 . 0 0 "[ . 1 . 2]" 1
999 1 60 LYS HE3 1 60 LYS QG 3.140 2.140 4.140 2.981 2.402 3.470 . 0 0 "[ . 1 . 2]" 1
1000 1 60 LYS QG 1 61 PHE H 2.670 . 3.670 3.016 2.747 3.367 . 0 0 "[ . 1 . 2]" 1
1001 1 60 LYS QG 1 66 THR MG 2.410 . 3.410 2.480 2.044 3.488 0.078 11 0 "[ . 1 . 2]" 1
1002 1 61 PHE H 1 61 PHE HB2 2.650 . 3.650 2.436 2.358 2.536 . 0 0 "[ . 1 . 2]" 1
1003 1 61 PHE H 1 61 PHE HB3 3.060 2.060 4.060 3.640 3.592 3.689 . 0 0 "[ . 1 . 2]" 1
1004 1 61 PHE H 1 61 PHE QD 2.490 . 3.490 2.546 2.141 2.936 . 0 0 "[ . 1 . 2]" 1
1005 1 61 PHE H 1 61 PHE QE 4.150 3.150 5.150 4.669 4.432 5.056 . 0 0 "[ . 1 . 2]" 1
1006 1 61 PHE H 1 62 ALA H 3.830 2.830 4.830 4.511 4.436 4.578 . 0 0 "[ . 1 . 2]" 1
1007 1 61 PHE H 1 63 ASP H 4.000 3.000 5.000 4.470 3.992 4.890 . 0 0 "[ . 1 . 2]" 1
1008 1 61 PHE H 1 64 GLY H 3.890 2.890 4.890 3.996 3.672 4.210 . 0 0 "[ . 1 . 2]" 1
1009 1 61 PHE H 1 65 SER H 3.700 2.700 4.700 3.946 3.419 4.509 . 0 0 "[ . 1 . 2]" 1
1010 1 61 PHE H 1 66 THR HA 3.220 2.220 4.220 3.285 2.880 3.610 . 0 0 "[ . 1 . 2]" 1
1011 1 61 PHE H 1 66 THR MG 3.070 2.070 4.070 3.925 3.336 4.297 0.227 9 0 "[ . 1 . 2]" 1
1012 1 61 PHE H 1 67 LEU H 4.110 3.110 5.110 4.665 4.334 4.969 . 0 0 "[ . 1 . 2]" 1
1013 1 61 PHE HA 1 61 PHE QD 3.060 2.060 4.060 2.999 2.710 3.157 . 0 0 "[ . 1 . 2]" 1
1014 1 61 PHE HA 1 62 ALA H 2.430 . 3.430 2.393 2.236 2.539 . 0 0 "[ . 1 . 2]" 1
1015 1 61 PHE HA 1 64 GLY H 4.500 3.500 5.500 4.802 4.604 5.066 . 0 0 "[ . 1 . 2]" 1
1016 1 61 PHE HB2 1 62 ALA H 3.210 2.210 4.210 3.628 3.381 3.906 . 0 0 "[ . 1 . 2]" 1
1017 1 61 PHE HB2 1 63 ASP H 3.010 2.010 4.010 2.955 2.460 3.519 . 0 0 "[ . 1 . 2]" 1
1018 1 61 PHE HB2 1 64 GLY H 4.190 3.190 5.190 3.685 3.371 4.049 . 0 0 "[ . 1 . 2]" 1
1019 1 61 PHE HB2 1 67 LEU QD 4.440 3.440 5.440 4.538 3.449 5.535 0.095 17 0 "[ . 1 . 2]" 1
1020 1 61 PHE HB2 1 82 ILE MD 4.410 3.410 5.410 4.994 4.166 5.453 0.043 3 0 "[ . 1 . 2]" 1
1021 1 61 PHE HB3 1 62 ALA H 2.780 . 3.780 2.369 2.061 2.843 . 0 0 "[ . 1 . 2]" 1
1022 1 61 PHE HB3 1 63 ASP H 3.120 2.120 4.120 2.552 1.835 3.198 0.285 15 0 "[ . 1 . 2]" 1
1023 1 61 PHE HB3 1 65 SER H 4.500 3.500 5.500 4.830 3.986 6.141 0.641 17 1 "[ . 1 . + 2]" 1
1024 1 61 PHE HB3 1 82 ILE MD 2.790 . 3.790 3.532 2.630 4.024 0.234 13 0 "[ . 1 . 2]" 1
1025 1 61 PHE QD 1 62 ALA H 3.380 2.380 4.380 3.552 3.192 4.035 . 0 0 "[ . 1 . 2]" 1
1026 1 61 PHE QD 1 66 THR HA 3.170 2.170 4.170 3.667 3.206 4.197 0.027 17 0 "[ . 1 . 2]" 1
1027 1 61 PHE QD 1 67 LEU H 3.690 2.690 4.690 3.940 3.527 4.231 . 0 0 "[ . 1 . 2]" 1
1028 1 61 PHE QD 1 67 LEU QB 3.780 2.780 4.780 3.764 3.005 4.567 . 0 0 "[ . 1 . 2]" 1
1029 1 61 PHE QD 1 75 VAL MG1 4.170 3.170 5.170 4.367 4.107 4.576 . 0 0 "[ . 1 . 2]" 1
1030 1 61 PHE QD 1 78 LYS QB 2.870 . 3.870 3.478 2.882 3.949 0.079 12 0 "[ . 1 . 2]" 1
1031 1 61 PHE QD 1 78 LYS QD 4.340 3.340 5.340 4.975 3.526 5.394 0.054 18 0 "[ . 1 . 2]" 1
1032 1 61 PHE QD 1 79 LEU H 4.320 3.320 5.320 4.762 4.324 5.387 0.067 5 0 "[ . 1 . 2]" 1
1033 1 61 PHE QD 1 79 LEU QD 2.550 . 3.550 3.575 3.284 3.736 0.186 17 0 "[ . 1 . 2]" 1
1034 1 61 PHE QD 1 82 ILE MD 2.930 . 3.930 3.035 2.208 3.655 . 0 0 "[ . 1 . 2]" 1
1035 1 61 PHE QD 1 82 ILE MG 3.960 2.960 4.960 3.690 2.910 4.703 0.050 11 0 "[ . 1 . 2]" 1
1036 1 61 PHE QE 1 67 LEU H 3.210 2.210 4.210 3.998 3.687 4.293 0.083 8 0 "[ . 1 . 2]" 1
1037 1 61 PHE QE 1 67 LEU QB 2.930 . 3.930 2.474 2.123 2.982 . 0 0 "[ . 1 . 2]" 1
1038 1 61 PHE QE 1 67 LEU MD1 3.510 2.510 4.510 2.813 2.420 4.522 0.090 20 0 "[ . 1 . 2]" 1
1039 1 61 PHE QE 1 67 LEU QD 2.550 . 3.550 2.282 2.174 2.478 . 0 0 "[ . 1 . 2]" 1
1040 1 61 PHE QE 1 67 LEU MD2 3.510 2.510 4.510 2.729 2.448 4.385 0.062 5 0 "[ . 1 . 2]" 1
1041 1 61 PHE QE 1 67 LEU HG 3.460 2.460 4.460 4.205 2.442 4.591 0.131 7 0 "[ . 1 . 2]" 1
1042 1 61 PHE QE 1 70 PRO QB 4.340 3.340 5.340 4.331 3.915 5.053 . 0 0 "[ . 1 . 2]" 1
1043 1 61 PHE QE 1 70 PRO QD 4.500 3.500 5.500 5.315 4.823 5.561 0.061 8 0 "[ . 1 . 2]" 1
1044 1 61 PHE QE 1 70 PRO HG3 4.400 3.400 5.400 3.999 3.302 4.447 0.098 15 0 "[ . 1 . 2]" 1
1045 1 61 PHE QE 1 75 VAL HA 3.080 2.080 4.080 3.209 2.901 3.640 . 0 0 "[ . 1 . 2]" 1
1046 1 61 PHE QE 1 75 VAL MG1 2.440 . 3.440 2.585 2.091 2.999 . 0 0 "[ . 1 . 2]" 1
1047 1 61 PHE QE 1 75 VAL MG2 3.280 2.280 4.280 3.511 3.297 3.738 . 0 0 "[ . 1 . 2]" 1
1048 1 61 PHE QE 1 78 LYS H 4.500 3.500 5.500 4.613 4.197 5.250 . 0 0 "[ . 1 . 2]" 1
1049 1 61 PHE QE 1 78 LYS QB 3.570 2.570 4.570 2.771 2.472 3.288 0.098 2 0 "[ . 1 . 2]" 1
1050 1 61 PHE QE 1 78 LYS QG 3.920 2.920 4.920 3.634 2.988 4.181 . 0 0 "[ . 1 . 2]" 1
1051 1 61 PHE QE 1 79 LEU H 3.610 2.610 4.610 3.456 3.091 3.979 . 0 0 "[ . 1 . 2]" 1
1052 1 61 PHE QE 1 79 LEU QB 4.340 3.340 5.340 3.331 3.185 4.916 0.155 12 0 "[ . 1 . 2]" 1
1053 1 61 PHE QE 1 79 LEU QD 3.170 2.170 4.170 3.341 2.156 3.626 0.014 5 0 "[ . 1 . 2]" 1
1054 1 61 PHE QE 1 79 LEU HG 4.500 3.500 5.500 5.433 3.473 5.628 0.128 12 0 "[ . 1 . 2]" 1
1055 1 61 PHE QE 1 82 ILE MD 4.500 3.500 5.500 4.374 3.612 5.242 . 0 0 "[ . 1 . 2]" 1
1056 1 61 PHE HZ 1 67 LEU QB 3.540 2.540 4.540 4.343 3.967 4.570 0.030 20 0 "[ . 1 . 2]" 1
1057 1 61 PHE HZ 1 67 LEU QD 2.830 . 3.830 3.339 2.885 3.586 . 0 0 "[ . 1 . 2]" 1
1058 1 61 PHE HZ 1 75 VAL H 4.220 3.220 5.220 4.664 4.415 4.994 . 0 0 "[ . 1 . 2]" 1
1059 1 61 PHE HZ 1 75 VAL HA 2.440 . 3.440 2.162 1.938 2.486 . 0 0 "[ . 1 . 2]" 1
1060 1 61 PHE HZ 1 75 VAL MG1 2.630 . 3.630 2.248 1.916 2.564 . 0 0 "[ . 1 . 2]" 1
1061 1 61 PHE HZ 1 75 VAL MG2 2.590 . 3.590 2.503 2.215 2.666 . 0 0 "[ . 1 . 2]" 1
1062 1 61 PHE HZ 1 78 LYS QB 3.450 2.450 4.450 3.073 2.771 3.627 . 0 0 "[ . 1 . 2]" 1
1063 1 61 PHE HZ 1 78 LYS QG 3.620 2.620 4.620 3.776 3.294 4.624 0.004 15 0 "[ . 1 . 2]" 1
1064 1 62 ALA H 1 62 ALA MB 2.150 . 3.150 2.229 2.191 2.251 . 0 0 "[ . 1 . 2]" 1
1065 1 62 ALA H 1 63 ASP H 2.720 . 3.720 2.662 2.450 3.016 . 0 0 "[ . 1 . 2]" 1
1066 1 62 ALA H 1 64 GLY H 3.870 2.870 4.870 4.235 4.071 4.406 . 0 0 "[ . 1 . 2]" 1
1067 1 62 ALA H 1 82 ILE MD 3.190 2.190 4.190 2.960 1.934 4.119 0.256 7 0 "[ . 1 . 2]" 1
1068 1 62 ALA HA 1 64 GLY H 3.290 2.290 4.290 3.552 3.320 3.972 . 0 0 "[ . 1 . 2]" 1
1069 1 62 ALA MB 1 63 ASP H 2.770 . 3.770 3.013 2.820 3.187 . 0 0 "[ . 1 . 2]" 1
1070 1 63 ASP H 1 63 ASP QB 2.630 . 3.630 2.324 2.118 2.588 . 0 0 "[ . 1 . 2]" 1
1071 1 63 ASP H 1 64 GLY H 2.140 . 3.140 2.477 2.217 2.662 . 0 0 "[ . 1 . 2]" 1
1072 1 63 ASP H 1 65 SER H 3.160 2.160 4.160 3.827 3.278 4.497 0.337 17 0 "[ . 1 . 2]" 1
1073 1 63 ASP H 1 82 ILE MD 3.460 2.460 4.460 4.160 3.368 4.865 0.405 4 0 "[ . 1 . 2]" 1
1074 1 63 ASP H 1 82 ILE MG 3.530 2.530 4.530 3.285 2.247 4.238 0.283 13 0 "[ . 1 . 2]" 1
1075 1 63 ASP QB 1 65 SER H 3.350 2.350 4.350 3.013 2.162 4.143 0.188 10 0 "[ . 1 . 2]" 1
1076 1 65 SER H 1 65 SER HB2 2.780 . 3.780 2.793 2.440 3.581 . 0 0 "[ . 1 . 2]" 1
1077 1 65 SER H 1 65 SER QB 2.250 . 3.250 2.490 2.251 2.760 . 0 0 "[ . 1 . 2]" 1
1078 1 65 SER H 1 65 SER HB3 2.780 . 3.780 3.123 2.487 3.607 . 0 0 "[ . 1 . 2]" 1
1079 1 65 SER HA 1 66 THR H 1.900 . 2.900 2.292 2.150 2.550 . 0 0 "[ . 1 . 2]" 1
1080 1 65 SER HB2 1 66 THR H 2.790 . 3.790 3.769 2.418 4.253 0.463 16 0 "[ . 1 . 2]" 1
1081 1 65 SER HB3 1 66 THR H 2.790 . 3.790 3.419 2.568 4.019 0.229 11 0 "[ . 1 . 2]" 1
1082 1 66 THR H 1 66 THR MG 2.840 . 3.840 3.100 2.758 3.877 0.037 9 0 "[ . 1 . 2]" 1
1083 1 66 THR H 1 67 LEU H 3.700 2.700 4.700 4.359 4.305 4.424 . 0 0 "[ . 1 . 2]" 1
1084 1 66 THR HA 1 66 THR MG 2.260 . 3.260 2.285 2.218 2.404 . 0 0 "[ . 1 . 2]" 1
1085 1 66 THR HA 1 67 LEU H 1.980 . 2.980 2.197 2.143 2.419 . 0 0 "[ . 1 . 2]" 1
1086 1 66 THR HB 1 67 LEU H 2.120 . 3.120 3.114 2.308 3.828 0.708 16 3 "[ . *1- .+ 2]" 1
1087 1 66 THR MG 1 67 LEU H 3.070 2.070 4.070 3.515 2.535 3.907 . 0 0 "[ . 1 . 2]" 1
1088 1 67 LEU H 1 67 LEU QB 2.580 . 3.580 2.531 2.394 2.680 . 0 0 "[ . 1 . 2]" 1
1089 1 67 LEU H 1 67 LEU MD1 3.910 2.910 4.910 3.467 2.691 4.397 0.219 15 0 "[ . 1 . 2]" 1
1090 1 67 LEU H 1 67 LEU QD 3.240 2.240 4.240 3.239 2.666 3.986 . 0 0 "[ . 1 . 2]" 1
1091 1 67 LEU H 1 67 LEU MD2 3.910 2.910 4.910 4.364 3.622 4.609 . 0 0 "[ . 1 . 2]" 1
1092 1 67 LEU H 1 67 LEU HG 3.600 2.600 4.600 4.250 3.098 4.644 0.044 8 0 "[ . 1 . 2]" 1
1093 1 67 LEU H 1 68 THR H 3.470 2.470 4.470 4.225 3.887 4.484 0.014 15 0 "[ . 1 . 2]" 1
1094 1 67 LEU HA 1 67 LEU QD 3.230 2.230 4.230 2.490 2.163 2.752 0.067 6 0 "[ . 1 . 2]" 1
1095 1 67 LEU HA 1 68 THR H 1.990 . 2.990 2.121 2.026 2.307 . 0 0 "[ . 1 . 2]" 1
1096 1 67 LEU QB 1 67 LEU MD1 2.170 . 3.170 2.325 2.088 2.434 . 0 0 "[ . 1 . 2]" 1
1097 1 67 LEU QB 1 67 LEU MD2 2.170 . 3.170 2.149 2.059 2.421 . 0 0 "[ . 1 . 2]" 1
1098 1 67 LEU QB 1 68 THR H 2.880 . 3.880 3.302 2.611 3.895 0.015 10 0 "[ . 1 . 2]" 1
1099 1 67 LEU QB 1 69 ASN H 4.500 3.500 5.500 4.814 4.419 5.916 0.416 17 0 "[ . 1 . 2]" 1
1100 1 67 LEU QB 1 70 PRO HB2 3.650 2.650 4.650 3.933 3.486 4.655 0.005 6 0 "[ . 1 . 2]" 1
1101 1 67 LEU QB 1 70 PRO QB 2.830 . 3.830 2.513 2.035 3.452 . 0 0 "[ . 1 . 2]" 1
1102 1 67 LEU QB 1 70 PRO HB3 3.650 2.650 4.650 2.548 2.048 3.558 0.602 1 4 "[+* . 1 *- . 2]" 1
1103 1 67 LEU QB 1 70 PRO QD 3.460 2.460 4.460 3.148 2.511 4.222 . 0 0 "[ . 1 . 2]" 1
1104 1 67 LEU QD 1 68 THR H 2.820 . 3.820 3.787 2.491 4.200 0.380 19 0 "[ . 1 . 2]" 1
1105 1 67 LEU QD 1 70 PRO HA 3.810 2.810 4.810 3.797 3.227 4.526 . 0 0 "[ . 1 . 2]" 1
1106 1 67 LEU QD 1 70 PRO QB 2.750 . 3.750 2.194 1.961 2.588 . 0 0 "[ . 1 . 2]" 1
1107 1 67 LEU QD 1 70 PRO QD 4.420 3.420 5.420 4.017 3.712 4.220 . 0 0 "[ . 1 . 2]" 1
1108 1 67 LEU QD 1 70 PRO HG3 3.650 2.650 4.650 3.241 2.496 3.736 0.154 7 0 "[ . 1 . 2]" 1
1109 1 67 LEU QD 1 71 SER H 4.160 3.160 5.160 4.441 3.921 5.071 . 0 0 "[ . 1 . 2]" 1
1110 1 67 LEU QD 1 75 VAL HA 3.140 2.140 4.140 3.881 3.116 4.177 0.037 10 0 "[ . 1 . 2]" 1
1111 1 67 LEU QD 1 78 LYS QB 3.120 2.120 4.120 3.695 3.072 4.090 . 0 0 "[ . 1 . 2]" 1
1112 1 67 LEU QD 1 78 LYS QG 3.760 2.760 4.760 2.818 2.635 3.635 0.125 7 0 "[ . 1 . 2]" 1
1113 1 67 LEU MD1 1 68 THR H 4.020 3.020 5.020 4.273 2.502 5.172 0.518 17 1 "[ . 1 . + 2]" 1
1114 1 67 LEU MD2 1 68 THR H 4.020 3.020 5.020 4.590 3.622 4.963 . 0 0 "[ . 1 . 2]" 1
1115 1 67 LEU HG 1 68 THR H 3.600 2.600 4.600 4.063 3.229 5.318 0.718 1 3 "[+ . 1 *. - 2]" 1
1116 1 67 LEU HG 1 70 PRO QD 4.470 3.470 5.470 5.034 3.463 5.526 0.056 18 0 "[ . 1 . 2]" 1
1117 1 68 THR H 1 68 THR HB 1.990 . 2.990 2.523 2.338 2.750 . 0 0 "[ . 1 . 2]" 1
1118 1 68 THR H 1 68 THR MG 3.560 2.560 4.560 3.761 3.686 3.882 . 0 0 "[ . 1 . 2]" 1
1119 1 68 THR H 1 70 PRO QD 3.920 2.920 4.920 4.328 3.218 5.137 0.217 10 0 "[ . 1 . 2]" 1
1120 1 68 THR HA 1 68 THR MG 3.250 2.250 4.250 2.343 2.241 2.462 0.009 17 0 "[ . 1 . 2]" 1
1121 1 68 THR HA 1 69 ASN H 2.030 . 3.030 2.149 2.116 2.217 . 0 0 "[ . 1 . 2]" 1
1122 1 68 THR HB 1 69 ASN H 3.510 2.510 4.510 4.249 3.753 4.344 . 0 0 "[ . 1 . 2]" 1
1123 1 68 THR MG 1 69 ASN H 2.580 . 3.580 2.959 2.289 3.132 . 0 0 "[ . 1 . 2]" 1
1124 1 68 THR MG 1 69 ASN HA 4.320 3.320 5.320 4.294 3.894 4.538 . 0 0 "[ . 1 . 2]" 1
1125 1 68 THR MG 1 69 ASN QB 2.670 . 3.670 3.120 2.625 3.690 0.020 16 0 "[ . 1 . 2]" 1
1126 1 68 THR MG 1 69 ASN QD 3.660 2.660 4.660 3.726 2.616 4.669 0.044 17 0 "[ . 1 . 2]" 1
1127 1 69 ASN H 1 69 ASN QB 2.690 . 3.690 3.184 2.795 3.373 . 0 0 "[ . 1 . 2]" 1
1128 1 69 ASN H 1 70 PRO QD 2.340 . 3.340 2.446 2.327 2.816 . 0 0 "[ . 1 . 2]" 1
1129 1 69 ASN H 1 70 PRO HG2 4.500 3.500 5.500 5.236 5.027 5.681 0.181 16 0 "[ . 1 . 2]" 1
1130 1 69 ASN H 1 70 PRO HG3 3.860 2.860 4.860 4.769 4.562 5.206 0.346 16 0 "[ . 1 . 2]" 1
1131 1 69 ASN HA 1 70 PRO QD 2.760 . 3.760 2.327 2.104 2.632 . 0 0 "[ . 1 . 2]" 1
1132 1 69 ASN QB 1 69 ASN QD 2.050 . 3.050 2.146 2.053 2.661 . 0 0 "[ . 1 . 2]" 1
1133 1 70 PRO HA 1 71 SER H 2.030 . 3.030 2.452 2.241 2.709 . 0 0 "[ . 1 . 2]" 1
1134 1 70 PRO QB 1 71 SER H 2.740 . 3.740 2.431 1.978 2.792 . 0 0 "[ . 1 . 2]" 1
1135 1 70 PRO QB 1 75 VAL H 3.190 2.190 4.190 3.753 3.438 4.024 . 0 0 "[ . 1 . 2]" 1
1136 1 70 PRO HB2 1 71 SER H 3.350 2.350 4.350 2.476 1.992 2.876 0.358 9 0 "[ . 1 . 2]" 1
1137 1 70 PRO HB2 1 75 VAL MG2 2.910 . 3.910 2.592 2.191 3.215 . 0 0 "[ . 1 . 2]" 1
1138 1 70 PRO HB3 1 71 SER H 3.350 2.350 4.350 3.594 3.364 3.779 . 0 0 "[ . 1 . 2]" 1
1139 1 70 PRO HB3 1 75 VAL MG2 2.910 . 3.910 3.681 3.246 4.266 0.356 7 0 "[ . 1 . 2]" 1
1140 1 70 PRO HG2 1 71 SER H 3.700 2.700 4.700 4.037 3.516 4.340 . 0 0 "[ . 1 . 2]" 1
1141 1 70 PRO HG2 1 75 VAL MG2 2.370 . 3.370 2.425 2.069 2.897 . 0 0 "[ . 1 . 2]" 1
1142 1 70 PRO HG3 1 75 VAL MG2 2.400 . 3.400 2.801 2.487 3.136 . 0 0 "[ . 1 . 2]" 1
1143 1 71 SER H 1 71 SER HB2 2.900 . 3.900 2.645 2.494 3.563 . 0 0 "[ . 1 . 2]" 1
1144 1 71 SER H 1 71 SER QB 2.130 . 3.130 2.493 2.277 2.654 . 0 0 "[ . 1 . 2]" 1
1145 1 71 SER H 1 71 SER HB3 2.900 . 3.900 3.369 2.510 3.748 . 0 0 "[ . 1 . 2]" 1
1146 1 71 SER H 1 72 ALA H 3.690 2.690 4.690 4.518 4.393 4.591 . 0 0 "[ . 1 . 2]" 1
1147 1 71 SER H 1 73 ASP H 4.050 3.050 5.050 5.191 4.758 5.524 0.474 10 0 "[ . 1 . 2]" 1
1148 1 71 SER H 1 74 GLU H 2.720 . 3.720 3.881 3.342 4.181 0.461 10 0 "[ . 1 . 2]" 1
1149 1 71 SER H 1 74 GLU HB2 2.710 . 3.710 2.646 1.802 3.316 . 0 0 "[ . 1 . 2]" 1
1150 1 71 SER H 1 74 GLU HB3 2.680 . 3.680 3.962 3.202 4.565 0.885 18 4 "[ * . 1*- . + 2]" 1
1151 1 71 SER H 1 74 GLU HG2 3.380 2.380 4.380 3.926 2.435 5.265 0.885 18 2 "[ . 1 -. + 2]" 1
1152 1 71 SER H 1 74 GLU QG 2.580 . 3.580 2.981 1.995 3.760 0.180 3 0 "[ . 1 . 2]" 1
1153 1 71 SER H 1 74 GLU HG3 3.380 2.380 4.380 3.112 2.115 4.069 0.265 16 0 "[ . 1 . 2]" 1
1154 1 71 SER H 1 75 VAL H 3.770 2.770 4.770 4.351 3.713 4.831 0.061 11 0 "[ . 1 . 2]" 1
1155 1 71 SER H 1 75 VAL MG2 4.280 3.280 5.280 3.869 3.206 4.425 0.074 2 0 "[ . 1 . 2]" 1
1156 1 71 SER HA 1 72 ALA H 2.520 . 3.520 2.388 2.276 2.551 . 0 0 "[ . 1 . 2]" 1
1157 1 71 SER HA 1 73 ASP H 3.450 2.450 4.450 4.377 4.075 4.685 0.235 8 0 "[ . 1 . 2]" 1
1158 1 71 SER QB 1 72 ALA MB 3.370 2.370 4.370 4.117 3.818 4.497 0.127 7 0 "[ . 1 . 2]" 1
1159 1 71 SER QB 1 73 ASP H 2.750 . 3.750 3.030 2.796 3.371 . 0 0 "[ . 1 . 2]" 1
1160 1 71 SER QB 1 73 ASP QB 3.580 2.580 4.580 3.396 2.575 4.324 0.005 12 0 "[ . 1 . 2]" 1
1161 1 71 SER QB 1 74 GLU H 2.420 . 3.420 2.699 2.334 3.257 . 0 0 "[ . 1 . 2]" 1
1162 1 71 SER QB 1 74 GLU HB2 3.370 2.370 4.370 3.282 2.663 4.185 . 0 0 "[ . 1 . 2]" 1
1163 1 71 SER QB 1 74 GLU QG 2.590 . 3.590 2.334 1.943 3.654 0.064 18 0 "[ . 1 . 2]" 1
1164 1 71 SER QB 1 75 VAL H 3.830 2.830 4.830 4.407 4.079 4.889 0.059 11 0 "[ . 1 . 2]" 1
1165 1 71 SER HB2 1 72 ALA H 3.120 2.120 4.120 3.655 2.879 3.940 . 0 0 "[ . 1 . 2]" 1
1166 1 71 SER HB2 1 73 ASP H 3.540 2.540 4.540 3.630 2.824 4.819 0.279 19 0 "[ . 1 . 2]" 1
1167 1 71 SER HB3 1 72 ALA H 3.120 2.120 4.120 2.981 2.418 4.000 . 0 0 "[ . 1 . 2]" 1
1168 1 71 SER HB3 1 73 ASP H 3.540 2.540 4.540 3.378 2.925 4.492 . 0 0 "[ . 1 . 2]" 1
1169 1 72 ALA H 1 72 ALA MB 2.520 . 3.520 2.221 2.133 2.246 . 0 0 "[ . 1 . 2]" 1
1170 1 72 ALA H 1 73 ASP H 2.700 . 3.700 2.713 2.542 2.951 . 0 0 "[ . 1 . 2]" 1
1171 1 72 ALA H 1 74 GLU H 3.880 2.880 4.880 4.216 4.065 4.477 . 0 0 "[ . 1 . 2]" 1
1172 1 72 ALA H 1 75 VAL H 4.150 3.150 5.150 4.831 4.713 5.051 . 0 0 "[ . 1 . 2]" 1
1173 1 72 ALA HA 1 74 GLU H 4.210 3.210 5.210 4.312 4.071 4.533 . 0 0 "[ . 1 . 2]" 1
1174 1 72 ALA HA 1 75 VAL HB 2.830 . 3.830 2.770 2.467 3.128 . 0 0 "[ . 1 . 2]" 1
1175 1 72 ALA MB 1 73 ASP H 2.590 . 3.590 2.561 2.449 2.722 . 0 0 "[ . 1 . 2]" 1
1176 1 73 ASP H 1 74 GLU H 2.270 . 3.270 2.641 2.372 2.781 . 0 0 "[ . 1 . 2]" 1
1177 1 73 ASP H 1 74 GLU HB2 3.800 2.800 4.800 4.789 4.563 5.013 0.213 18 0 "[ . 1 . 2]" 1
1178 1 73 ASP H 1 74 GLU QG 4.340 3.340 5.340 4.323 3.853 4.953 . 0 0 "[ . 1 . 2]" 1
1179 1 73 ASP H 1 75 VAL HB 4.500 3.500 5.500 5.196 4.968 5.435 . 0 0 "[ . 1 . 2]" 1
1180 1 73 ASP HA 1 76 LYS H 3.170 2.170 4.170 3.511 3.241 3.928 . 0 0 "[ . 1 . 2]" 1
1181 1 73 ASP HA 1 76 LYS HB2 3.190 2.190 4.190 3.594 3.189 4.075 . 0 0 "[ . 1 . 2]" 1
1182 1 73 ASP HA 1 76 LYS HB3 3.190 2.190 4.190 2.831 2.399 3.244 . 0 0 "[ . 1 . 2]" 1
1183 1 73 ASP HA 1 76 LYS QD 4.290 3.290 5.290 4.121 3.264 5.310 0.026 5 0 "[ . 1 . 2]" 1
1184 1 73 ASP HA 1 76 LYS QG 4.260 3.260 5.260 4.530 3.688 5.105 . 0 0 "[ . 1 . 2]" 1
1185 1 73 ASP HA 1 77 ALA H 3.610 2.610 4.610 4.125 3.808 4.436 . 0 0 "[ . 1 . 2]" 1
1186 1 73 ASP HA 1 77 ALA MB 4.500 3.500 5.500 4.657 4.375 5.050 . 0 0 "[ . 1 . 2]" 1
1187 1 73 ASP QB 1 74 GLU H 3.340 2.340 4.340 2.733 2.249 3.564 0.091 12 0 "[ . 1 . 2]" 1
1188 1 74 GLU H 1 74 GLU HB2 2.570 . 3.570 2.460 2.325 2.551 . 0 0 "[ . 1 . 2]" 1
1189 1 74 GLU H 1 74 GLU HB3 2.660 . 3.660 3.591 3.551 3.659 . 0 0 "[ . 1 . 2]" 1
1190 1 74 GLU H 1 74 GLU QG 1.920 . 2.920 2.323 2.029 2.795 . 0 0 "[ . 1 . 2]" 1
1191 1 74 GLU H 1 75 VAL MG2 3.640 2.640 4.640 3.991 3.794 4.156 . 0 0 "[ . 1 . 2]" 1
1192 1 74 GLU H 1 77 ALA MB 3.960 2.960 4.960 4.844 4.585 5.250 0.290 7 0 "[ . 1 . 2]" 1
1193 1 74 GLU HA 1 75 VAL MG2 4.500 3.500 5.500 4.958 4.809 5.105 . 0 0 "[ . 1 . 2]" 1
1194 1 74 GLU HA 1 76 LYS H 4.220 3.220 5.220 4.486 4.255 4.702 . 0 0 "[ . 1 . 2]" 1
1195 1 74 GLU HB2 1 75 VAL H 3.560 2.560 4.560 2.511 2.179 2.762 0.381 11 0 "[ . 1 . 2]" 1
1196 1 74 GLU HB2 1 75 VAL HA 3.310 2.310 4.310 4.236 3.936 4.377 0.067 2 0 "[ . 1 . 2]" 1
1197 1 74 GLU HB3 1 75 VAL H 2.720 . 3.720 3.508 3.278 3.703 . 0 0 "[ . 1 . 2]" 1
1198 1 75 VAL H 1 75 VAL HB 2.190 . 3.190 2.549 2.451 2.623 . 0 0 "[ . 1 . 2]" 1
1199 1 75 VAL H 1 75 VAL MG2 2.190 . 3.190 2.083 1.956 2.173 . 0 0 "[ . 1 . 2]" 1
1200 1 75 VAL H 1 76 LYS H 2.170 . 3.170 2.690 2.606 2.807 . 0 0 "[ . 1 . 2]" 1
1201 1 75 VAL H 1 78 LYS H 3.870 2.870 4.870 4.734 4.618 4.984 0.114 8 0 "[ . 1 . 2]" 1
1202 1 75 VAL H 1 78 LYS QB 3.970 2.970 4.970 5.001 4.733 5.606 0.636 8 1 "[ . + 1 . 2]" 1
1203 1 75 VAL HA 1 75 VAL MG1 2.410 . 3.410 2.444 2.390 2.500 . 0 0 "[ . 1 . 2]" 1
1204 1 75 VAL HA 1 75 VAL MG2 2.200 . 3.200 2.375 2.321 2.410 . 0 0 "[ . 1 . 2]" 1
1205 1 75 VAL HA 1 78 LYS H 3.360 2.360 4.360 3.544 3.399 3.704 . 0 0 "[ . 1 . 2]" 1
1206 1 75 VAL HA 1 78 LYS QB 3.590 2.590 4.590 2.819 2.630 3.281 . 0 0 "[ . 1 . 2]" 1
1207 1 75 VAL HB 1 76 LYS H 2.440 . 3.440 2.551 2.372 2.705 . 0 0 "[ . 1 . 2]" 1
1208 1 75 VAL HB 1 77 ALA H 4.120 3.120 5.120 5.080 4.860 5.300 0.180 7 0 "[ . 1 . 2]" 1
1209 1 75 VAL MG1 1 76 LYS H 2.670 . 3.670 3.385 3.189 3.548 . 0 0 "[ . 1 . 2]" 1
1210 1 75 VAL MG1 1 77 ALA H 4.280 3.280 5.280 5.074 4.848 5.188 . 0 0 "[ . 1 . 2]" 1
1211 1 75 VAL MG1 1 78 LYS H 4.040 3.040 5.040 4.712 4.354 4.930 . 0 0 "[ . 1 . 2]" 1
1212 1 75 VAL MG1 1 79 LEU H 3.200 2.200 4.200 3.995 3.740 4.232 0.032 17 0 "[ . 1 . 2]" 1
1213 1 75 VAL MG2 1 76 LYS H 3.060 2.060 4.060 3.794 3.709 3.921 . 0 0 "[ . 1 . 2]" 1
1214 1 76 LYS H 1 76 LYS HB2 2.640 . 3.640 2.478 2.222 2.656 . 0 0 "[ . 1 . 2]" 1
1215 1 76 LYS H 1 76 LYS QB 2.170 . 3.170 2.210 2.135 2.304 . 0 0 "[ . 1 . 2]" 1
1216 1 76 LYS H 1 76 LYS HB3 2.640 . 3.640 2.516 2.374 2.777 . 0 0 "[ . 1 . 2]" 1
1217 1 76 LYS H 1 76 LYS QD 4.090 3.090 5.090 4.373 4.009 4.694 . 0 0 "[ . 1 . 2]" 1
1218 1 76 LYS H 1 76 LYS HG2 4.000 3.000 5.000 4.448 4.279 4.651 . 0 0 "[ . 1 . 2]" 1
1219 1 76 LYS H 1 76 LYS QG 3.240 2.240 4.240 3.972 3.905 4.095 . 0 0 "[ . 1 . 2]" 1
1220 1 76 LYS H 1 76 LYS HG3 4.000 3.000 5.000 4.474 4.359 4.554 . 0 0 "[ . 1 . 2]" 1
1221 1 76 LYS H 1 77 ALA H 2.130 . 3.130 2.734 2.616 2.862 . 0 0 "[ . 1 . 2]" 1
1222 1 76 LYS H 1 77 ALA MB 4.310 3.310 5.310 4.433 4.294 4.564 . 0 0 "[ . 1 . 2]" 1
1223 1 76 LYS H 1 78 LYS H 3.620 2.620 4.620 4.086 3.925 4.262 . 0 0 "[ . 1 . 2]" 1
1224 1 76 LYS HA 1 76 LYS HG2 3.150 2.150 4.150 3.236 2.480 3.853 . 0 0 "[ . 1 . 2]" 1
1225 1 76 LYS HA 1 76 LYS HG3 3.150 2.150 4.150 2.806 2.513 3.749 . 0 0 "[ . 1 . 2]" 1
1226 1 76 LYS HA 1 79 LEU H 3.770 2.770 4.770 3.428 3.133 3.615 . 0 0 "[ . 1 . 2]" 1
1227 1 76 LYS HA 1 79 LEU HB2 3.470 2.470 4.470 2.906 2.431 3.239 0.039 8 0 "[ . 1 . 2]" 1
1228 1 76 LYS HA 1 79 LEU QB 2.680 . 3.680 2.526 2.160 2.779 . 0 0 "[ . 1 . 2]" 1
1229 1 76 LYS HA 1 79 LEU HB3 3.470 2.470 4.470 2.845 2.418 4.331 0.052 8 0 "[ . 1 . 2]" 1
1230 1 76 LYS HA 1 79 LEU QD 2.770 . 3.770 3.092 2.620 3.318 . 0 0 "[ . 1 . 2]" 1
1231 1 76 LYS HA 1 80 VAL H 3.590 2.590 4.590 4.124 3.890 4.370 . 0 0 "[ . 1 . 2]" 1
1232 1 76 LYS QB 1 76 LYS QD 2.370 . 3.370 2.209 2.056 2.373 . 0 0 "[ . 1 . 2]" 1
1233 1 76 LYS QB 1 76 LYS QE 2.850 . 3.850 3.301 1.851 3.872 0.022 10 0 "[ . 1 . 2]" 1
1234 1 76 LYS QB 1 77 ALA H 2.540 . 3.540 2.587 2.415 2.988 . 0 0 "[ . 1 . 2]" 1
1235 1 76 LYS QB 1 77 ALA MB 3.210 2.210 4.210 3.816 3.642 4.158 . 0 0 "[ . 1 . 2]" 1
1236 1 76 LYS QB 1 78 LYS H 4.190 3.190 5.190 4.675 4.437 4.920 . 0 0 "[ . 1 . 2]" 1
1237 1 76 LYS HB2 1 76 LYS QE 3.450 2.450 4.450 3.841 2.590 4.474 0.024 9 0 "[ . 1 . 2]" 1
1238 1 76 LYS HB2 1 77 ALA H 3.160 2.160 4.160 3.882 3.556 4.194 0.034 8 0 "[ . 1 . 2]" 1
1239 1 76 LYS HB3 1 76 LYS QE 3.450 2.450 4.450 3.677 1.887 4.531 0.563 16 2 "[ - . 1 .+ 2]" 1
1240 1 76 LYS HB3 1 77 ALA H 3.160 2.160 4.160 2.628 2.442 3.059 . 0 0 "[ . 1 . 2]" 1
1241 1 76 LYS QD 1 76 LYS QE 2.010 . 3.010 2.044 1.993 2.099 . 0 0 "[ . 1 . 2]" 1
1242 1 76 LYS QE 1 76 LYS HG2 3.150 2.150 4.150 2.540 2.303 2.990 . 0 0 "[ . 1 . 2]" 1
1243 1 76 LYS QE 1 76 LYS QG 2.490 . 3.490 2.284 2.071 2.413 . 0 0 "[ . 1 . 2]" 1
1244 1 76 LYS QE 1 76 LYS HG3 3.150 2.150 4.150 2.748 2.249 3.318 . 0 0 "[ . 1 . 2]" 1
1245 1 76 LYS QE 1 80 VAL QG 3.670 3.500 4.670 3.561 2.578 4.480 0.922 10 6 "[ *. -*+ * *]" 1
1246 1 76 LYS QG 1 80 VAL QG 3.330 2.330 4.330 2.952 2.521 3.973 . 0 0 "[ . 1 . 2]" 1
1247 1 76 LYS HG2 1 80 VAL QG 4.170 3.170 5.170 3.338 2.927 4.358 0.243 12 0 "[ . 1 . 2]" 1
1248 1 76 LYS HG3 1 80 VAL QG 4.170 3.170 5.170 3.472 2.640 4.798 0.530 15 1 "[ . 1 + 2]" 1
1249 1 77 ALA H 1 77 ALA MB 1.980 . 2.980 2.252 2.227 2.279 . 0 0 "[ . 1 . 2]" 1
1250 1 77 ALA H 1 78 LYS H 2.420 . 3.420 2.584 2.389 2.691 . 0 0 "[ . 1 . 2]" 1
1251 1 77 ALA H 1 80 VAL QG 4.500 3.500 5.500 4.027 3.912 4.140 . 0 0 "[ . 1 . 2]" 1
1252 1 77 ALA HA 1 80 VAL H 3.170 2.170 4.170 3.578 3.371 3.698 . 0 0 "[ . 1 . 2]" 1
1253 1 77 ALA HA 1 80 VAL HB 3.810 2.810 4.810 4.919 4.869 4.960 0.150 11 0 "[ . 1 . 2]" 1
1254 1 77 ALA HA 1 80 VAL QG 2.950 2.200 3.950 2.117 2.075 2.152 0.125 4 0 "[ . 1 . 2]" 1
1255 1 77 ALA MB 1 78 LYS H 2.560 . 3.560 2.757 2.550 2.963 . 0 0 "[ . 1 . 2]" 1
1256 1 77 ALA MB 1 79 LEU H 3.960 2.960 4.960 4.535 4.355 4.738 . 0 0 "[ . 1 . 2]" 1
1257 1 78 LYS H 1 78 LYS QB 2.150 . 3.150 2.367 2.124 2.501 . 0 0 "[ . 1 . 2]" 1
1258 1 78 LYS H 1 78 LYS QD 4.260 3.260 5.260 3.758 2.561 4.545 0.699 6 1 "[ .+ 1 . 2]" 1
1259 1 78 LYS H 1 78 LYS QG 3.670 2.670 4.670 2.778 2.329 4.017 0.341 4 0 "[ . 1 . 2]" 1
1260 1 78 LYS H 1 79 LEU H 2.430 . 3.430 2.412 2.250 2.594 . 0 0 "[ . 1 . 2]" 1
1261 1 78 LYS H 1 79 LEU QB 3.620 2.620 4.620 4.152 3.947 4.329 . 0 0 "[ . 1 . 2]" 1
1262 1 78 LYS H 1 80 VAL H 3.940 2.940 4.940 4.155 4.019 4.330 . 0 0 "[ . 1 . 2]" 1
1263 1 78 LYS H 1 80 VAL QG 4.270 3.270 5.270 3.976 3.790 4.100 . 0 0 "[ . 1 . 2]" 1
1264 1 78 LYS HA 1 78 LYS HD2 3.120 2.120 4.120 3.095 2.108 3.850 0.012 8 0 "[ . 1 . 2]" 1
1265 1 78 LYS HA 1 78 LYS QD 2.530 . 3.530 2.155 1.953 2.543 . 0 0 "[ . 1 . 2]" 1
1266 1 78 LYS HA 1 78 LYS HD3 3.120 2.120 4.120 2.401 1.984 3.886 0.136 15 0 "[ . 1 . 2]" 1
1267 1 78 LYS HA 1 81 LYS H 2.950 . 3.950 3.454 3.263 3.652 . 0 0 "[ . 1 . 2]" 1
1268 1 78 LYS HA 1 81 LYS QB 2.940 . 3.940 3.924 3.390 4.042 0.102 17 0 "[ . 1 . 2]" 1
1269 1 78 LYS HA 1 81 LYS QD 3.020 2.020 4.020 2.821 2.522 3.407 . 0 0 "[ . 1 . 2]" 1
1270 1 78 LYS HA 1 81 LYS HG2 2.880 . 3.880 2.155 1.957 2.618 . 0 0 "[ . 1 . 2]" 1
1271 1 78 LYS HA 1 81 LYS QG 2.390 . 3.390 2.066 1.933 2.264 . 0 0 "[ . 1 . 2]" 1
1272 1 78 LYS HA 1 81 LYS HG3 2.880 . 3.880 3.197 2.045 3.967 0.087 3 0 "[ . 1 . 2]" 1
1273 1 78 LYS HA 1 82 ILE QG 3.900 2.900 4.900 4.367 3.724 4.852 . 0 0 "[ . 1 . 2]" 1
1274 1 78 LYS HA 1 82 ILE MG 2.770 . 3.770 3.736 3.344 3.858 0.088 3 0 "[ . 1 . 2]" 1
1275 1 78 LYS QB 1 78 LYS QD 2.610 . 3.610 2.436 2.245 2.840 . 0 0 "[ . 1 . 2]" 1
1276 1 78 LYS QB 1 79 LEU H 2.410 . 3.410 2.698 2.474 3.027 . 0 0 "[ . 1 . 2]" 1
1277 1 78 LYS QD 1 81 LYS QD 3.060 2.060 4.060 2.570 2.044 3.812 0.016 15 0 "[ . 1 . 2]" 1
1278 1 78 LYS HD2 1 81 LYS QD 3.770 2.770 4.770 3.223 2.676 4.339 0.094 17 0 "[ . 1 . 2]" 1
1279 1 78 LYS HD3 1 81 LYS QD 3.770 2.770 4.770 2.909 2.092 4.892 0.678 15 3 "[ * - + 2]" 1
1280 1 78 LYS QG 1 82 ILE MG 4.180 3.180 5.180 4.554 3.157 5.218 0.038 3 0 "[ . 1 . 2]" 1
1281 1 79 LEU H 1 79 LEU HB2 2.530 . 3.530 2.407 2.101 2.539 . 0 0 "[ . 1 . 2]" 1
1282 1 79 LEU H 1 79 LEU QB 1.900 . 2.900 2.235 2.059 2.365 . 0 0 "[ . 1 . 2]" 1
1283 1 79 LEU H 1 79 LEU HB3 2.530 . 3.530 2.696 2.486 3.634 0.104 5 0 "[ . 1 . 2]" 1
1284 1 79 LEU H 1 79 LEU MD1 3.440 2.440 4.440 4.078 3.985 4.183 . 0 0 "[ . 1 . 2]" 1
1285 1 79 LEU H 1 79 LEU MD2 3.440 2.440 4.440 4.168 2.308 4.314 0.132 5 0 "[ . 1 . 2]" 1
1286 1 79 LEU H 1 80 VAL H 2.350 . 3.350 2.724 2.533 2.796 . 0 0 "[ . 1 . 2]" 1
1287 1 79 LEU H 1 80 VAL QG 4.100 3.100 4.610 3.611 3.501 3.677 . 0 0 "[ . 1 . 2]" 1
1288 1 79 LEU H 1 81 LYS H 3.420 2.420 4.420 4.175 4.007 4.282 . 0 0 "[ . 1 . 2]" 1
1289 1 79 LEU H 1 81 LYS QG 4.160 3.160 5.160 4.449 4.310 4.613 . 0 0 "[ . 1 . 2]" 1
1290 1 79 LEU HA 1 79 LEU MD1 3.450 2.450 4.450 2.419 2.316 3.772 0.134 12 0 "[ . 1 . 2]" 1
1291 1 79 LEU HA 1 79 LEU QD 2.010 . 3.010 2.327 2.163 2.408 . 0 0 "[ . 1 . 2]" 1
1292 1 79 LEU HA 1 79 LEU MD2 3.450 2.450 4.450 3.785 2.436 3.950 0.014 17 0 "[ . 1 . 2]" 1
1293 1 79 LEU HA 1 79 LEU HG 3.020 2.020 4.020 3.007 2.523 3.788 . 0 0 "[ . 1 . 2]" 1
1294 1 79 LEU HA 1 82 ILE MD 2.910 . 3.910 2.625 2.339 3.055 . 0 0 "[ . 1 . 2]" 1
1295 1 79 LEU HA 1 82 ILE HG12 3.310 2.310 4.310 3.177 2.731 3.913 . 0 0 "[ . 1 . 2]" 1
1296 1 79 LEU HA 1 82 ILE QG 2.790 . 3.790 2.231 1.995 2.642 . 0 0 "[ . 1 . 2]" 1
1297 1 79 LEU HA 1 82 ILE HG13 3.310 2.310 4.310 2.281 2.051 2.694 0.259 19 0 "[ . 1 . 2]" 1
1298 1 79 LEU QB 1 79 LEU QD 1.800 . 2.800 1.941 1.916 2.053 . 0 0 "[ . 1 . 2]" 1
1299 1 79 LEU HB2 1 80 VAL H 3.490 2.490 4.490 3.590 2.794 3.754 . 0 0 "[ . 1 . 2]" 1
1300 1 79 LEU HB3 1 80 VAL H 3.490 2.490 4.490 2.389 2.226 3.311 0.264 4 0 "[ . 1 . 2]" 1
1301 1 79 LEU QD 1 80 VAL H 3.910 2.910 4.910 3.776 3.617 3.945 . 0 0 "[ . 1 . 2]" 1
1302 1 79 LEU QD 1 80 VAL HA 4.440 3.440 5.440 4.118 3.539 4.963 . 0 0 "[ . 1 . 2]" 1
1303 1 79 LEU QD 1 82 ILE MD 2.550 . 3.550 2.219 1.886 2.581 . 0 0 "[ . 1 . 2]" 1
1304 1 79 LEU QD 1 83 ALA HA 4.440 3.440 5.440 4.958 4.283 5.353 . 0 0 "[ . 1 . 2]" 1
1305 1 80 VAL H 1 80 VAL HB 2.660 . 3.660 3.651 3.622 3.693 0.033 14 0 "[ . 1 . 2]" 1
1306 1 80 VAL H 1 80 VAL QG 2.320 . 3.320 1.892 1.805 1.985 . 0 0 "[ . 1 . 2]" 1
1307 1 80 VAL H 1 81 LYS H 2.410 . 3.410 2.755 2.677 2.827 . 0 0 "[ . 1 . 2]" 1
1308 1 80 VAL H 1 81 LYS QG 3.030 2.030 4.030 4.300 4.140 4.560 0.530 3 1 "[ + . 1 . 2]" 1
1309 1 80 VAL H 1 82 ILE QG 3.820 2.820 4.820 4.537 4.329 4.902 0.082 15 0 "[ . 1 . 2]" 1
1310 1 80 VAL HA 1 80 VAL QG 2.370 . 3.170 2.287 2.225 2.354 . 0 0 "[ . 1 . 2]" 1
1311 1 80 VAL HA 1 81 LYS QG 4.340 3.340 5.340 5.347 5.191 5.407 0.067 17 0 "[ . 1 . 2]" 1
1312 1 80 VAL HA 1 83 ALA H 2.990 . 3.990 3.712 3.269 4.544 0.554 5 1 "[ + 1 . 2]" 1
1313 1 80 VAL HA 1 83 ALA MB 2.770 . 3.770 3.025 2.515 3.779 0.009 5 0 "[ . 1 . 2]" 1
1314 1 80 VAL HA 1 87 HIS H 4.040 3.040 5.040 5.309 3.273 6.663 1.623 10 8 "[ * -. ** + * . * *]" 1
1315 1 80 VAL HB 1 81 LYS H 2.850 . 3.850 3.900 3.779 4.004 0.154 3 0 "[ . 1 . 2]" 1
1316 1 80 VAL HB 1 81 LYS HA 3.480 2.480 4.480 4.446 4.268 4.501 0.021 19 0 "[ . 1 . 2]" 1
1317 1 80 VAL HB 1 87 HIS H 3.920 2.920 4.920 5.270 2.894 6.939 2.019 8 11 "[ * . *+ * **-*** *]" 1
1318 1 80 VAL HB 1 87 HIS QB 3.870 2.870 4.870 3.687 2.825 4.907 0.045 6 0 "[ . 1 . 2]" 1
1319 1 80 VAL QG 1 81 LYS H . 3.050 3.910 2.350 2.167 2.531 0.883 5 20 [**-*+***************] 1
1320 1 80 VAL QG 1 81 LYS HA 2.850 . 3.850 3.447 3.327 3.530 . 0 0 "[ . 1 . 2]" 1
1321 1 80 VAL QG 1 87 HIS H 3.850 2.850 4.850 4.673 2.608 5.887 1.037 7 4 "[ . +* * . - 2]" 1
1322 1 81 LYS H 1 81 LYS QB 2.080 . 3.080 2.652 2.502 2.769 . 0 0 "[ . 1 . 2]" 1
1323 1 81 LYS H 1 81 LYS QD 3.690 2.690 4.690 4.020 3.666 4.351 . 0 0 "[ . 1 . 2]" 1
1324 1 81 LYS H 1 81 LYS HG2 3.390 2.390 4.390 2.457 2.182 3.553 0.208 5 0 "[ . 1 . 2]" 1
1325 1 81 LYS H 1 81 LYS QG 2.700 . 3.700 2.232 2.099 2.466 . 0 0 "[ . 1 . 2]" 1
1326 1 81 LYS H 1 81 LYS HG3 3.390 2.390 4.390 3.106 2.117 3.549 0.273 11 0 "[ . 1 . 2]" 1
1327 1 81 LYS H 1 82 ILE H 2.510 . 3.510 2.499 2.426 2.637 . 0 0 "[ . 1 . 2]" 1
1328 1 81 LYS H 1 82 ILE QG 3.560 2.560 4.560 3.991 3.825 4.114 . 0 0 "[ . 1 . 2]" 1
1329 1 81 LYS H 1 83 ALA H 3.330 2.330 4.330 3.940 3.780 4.119 . 0 0 "[ . 1 . 2]" 1
1330 1 81 LYS H 1 84 GLY H 4.500 3.500 5.500 4.873 4.395 5.540 0.040 18 0 "[ . 1 . 2]" 1
1331 1 81 LYS HA 1 81 LYS QD 3.660 2.660 4.660 4.416 3.870 4.604 . 0 0 "[ . 1 . 2]" 1
1332 1 81 LYS HA 1 82 ILE MG 4.500 3.500 5.500 4.863 4.737 5.077 . 0 0 "[ . 1 . 2]" 1
1333 1 81 LYS QB 1 81 LYS QD 2.370 . 3.370 2.356 2.141 2.687 . 0 0 "[ . 1 . 2]" 1
1334 1 81 LYS QB 1 82 ILE H 2.790 . 3.790 3.586 3.431 3.718 . 0 0 "[ . 1 . 2]" 1
1335 1 81 LYS QE 1 82 ILE MG 3.550 2.550 4.550 3.827 2.546 4.673 0.123 10 0 "[ . 1 . 2]" 1
1336 1 81 LYS QG 1 82 ILE HA 3.710 2.710 4.710 3.540 3.094 4.435 . 0 0 "[ . 1 . 2]" 1
1337 1 81 LYS QG 1 82 ILE MG 2.210 . 3.210 2.183 1.989 2.771 . 0 0 "[ . 1 . 2]" 1
1338 1 81 LYS HG2 1 82 ILE MG 2.790 . 3.790 3.249 2.486 3.894 0.104 11 0 "[ . 1 . 2]" 1
1339 1 81 LYS HG3 1 82 ILE MG 2.790 . 3.790 2.227 2.008 2.835 . 0 0 "[ . 1 . 2]" 1
1340 1 82 ILE H 1 82 ILE HB 3.120 2.120 4.120 3.729 3.700 3.758 . 0 0 "[ . 1 . 2]" 1
1341 1 82 ILE H 1 82 ILE MD 2.940 . 3.940 3.414 3.133 3.664 . 0 0 "[ . 1 . 2]" 1
1342 1 82 ILE H 1 82 ILE HG12 2.770 . 3.770 3.615 3.472 3.696 . 0 0 "[ . 1 . 2]" 1
1343 1 82 ILE H 1 82 ILE QG 2.200 . 3.200 2.139 2.062 2.232 . 0 0 "[ . 1 . 2]" 1
1344 1 82 ILE H 1 82 ILE HG13 2.770 . 3.770 2.155 2.075 2.254 . 0 0 "[ . 1 . 2]" 1
1345 1 82 ILE H 1 82 ILE MG 2.700 . 3.700 2.474 2.324 2.600 . 0 0 "[ . 1 . 2]" 1
1346 1 82 ILE H 1 83 ALA H 2.280 . 3.280 2.434 2.284 2.635 . 0 0 "[ . 1 . 2]" 1
1347 1 82 ILE HA 1 82 ILE MD 3.000 . 4.000 3.694 3.655 3.725 . 0 0 "[ . 1 . 2]" 1
1348 1 82 ILE HA 1 82 ILE MG 2.300 . 3.300 2.324 2.241 2.385 . 0 0 "[ . 1 . 2]" 1
1349 1 82 ILE HB 1 82 ILE MD 2.470 . 3.470 2.389 2.321 2.453 . 0 0 "[ . 1 . 2]" 1
1350 1 82 ILE HB 1 83 ALA H 3.090 2.090 4.090 4.105 3.922 4.243 0.153 9 0 "[ . 1 . 2]" 1
1351 1 82 ILE MD 1 83 ALA H 3.210 2.210 4.210 2.599 2.239 2.979 . 0 0 "[ . 1 . 2]" 1
1352 1 82 ILE MD 1 83 ALA HA 2.440 . 3.440 2.879 2.640 3.045 . 0 0 "[ . 1 . 2]" 1
1353 1 82 ILE QG 1 82 ILE MG 2.320 . 3.320 2.071 2.044 2.121 . 0 0 "[ . 1 . 2]" 1
1354 1 82 ILE QG 1 83 ALA H 3.170 2.170 4.170 2.962 2.533 3.294 . 0 0 "[ . 1 . 2]" 1
1355 1 82 ILE MG 1 83 ALA H 3.210 2.210 4.210 4.128 3.977 4.256 0.046 15 0 "[ . 1 . 2]" 1
1356 1 82 ILE MG 1 84 GLY H 4.500 3.500 5.500 5.258 4.791 5.953 0.453 13 0 "[ . 1 . 2]" 1
1357 1 83 ALA H 1 83 ALA MB 2.100 . 3.100 2.274 2.228 2.342 . 0 0 "[ . 1 . 2]" 1
1358 1 83 ALA H 1 84 GLY H 2.720 . 3.720 2.412 2.166 2.708 . 0 0 "[ . 1 . 2]" 1
1359 1 83 ALA MB 1 84 GLY H 2.980 . 3.980 2.854 2.119 3.341 . 0 0 "[ . 1 . 2]" 1
1360 1 83 ALA MB 1 85 LEU H 3.450 2.450 4.450 4.067 2.376 5.963 1.513 15 5 "[ * . - +* * 2]" 1
1361 1 83 ALA MB 1 86 GLU H 3.480 2.480 4.480 4.131 2.807 5.648 1.168 7 5 "[* . + 1 - ** 2]" 1
1362 1 83 ALA MB 1 86 GLU QB 3.880 2.880 4.880 3.553 2.833 4.927 0.047 5 0 "[ . 1 . 2]" 1
1363 1 84 GLY H 1 85 LEU H 2.650 . 3.650 3.727 2.381 4.577 0.927 18 8 "[ ** . * * **-+ 2]" 1
1364 1 85 LEU H 1 85 LEU QB 2.090 . 3.090 2.498 2.178 3.071 . 0 0 "[ . 1 . 2]" 1
1365 1 85 LEU H 1 85 LEU MD1 3.470 2.470 4.470 4.076 2.947 4.472 0.002 6 0 "[ . 1 . 2]" 1
1366 1 85 LEU H 1 85 LEU QD 2.870 . 3.870 3.371 1.779 4.073 0.203 6 0 "[ . 1 . 2]" 1
1367 1 85 LEU H 1 85 LEU MD2 3.470 2.470 4.470 3.755 1.781 4.691 0.689 8 2 "[ -. + 1 . 2]" 1
1368 1 85 LEU H 1 86 GLU H 2.790 . 3.790 2.921 1.912 4.495 0.705 7 2 "[ . + 1 -. 2]" 1
1369 1 85 LEU HA 1 86 GLU H 2.490 . 3.490 3.018 2.106 3.573 0.083 5 0 "[ . 1 . 2]" 1
1370 1 85 LEU QB 1 86 GLU H 2.920 . 3.920 3.068 1.771 3.929 0.149 12 0 "[ . 1 . 2]" 1
1371 1 85 LEU HB2 1 86 GLU H 3.500 2.500 4.500 3.821 2.282 4.568 0.218 7 0 "[ . 1 . 2]" 1
1372 1 85 LEU HB3 1 86 GLU H 3.500 2.500 4.500 3.419 1.797 4.437 0.703 12 2 "[ - 1 + . 2]" 1
1373 1 85 LEU QD 1 86 GLU H 3.980 2.980 4.980 3.660 2.538 4.416 0.442 1 0 "[ . 1 . 2]" 1
1374 1 86 GLU H 1 86 GLU QB 2.550 . 3.550 2.619 2.239 3.368 . 0 0 "[ . 1 . 2]" 1
1375 1 86 GLU H 1 86 GLU QG 3.270 2.270 4.270 3.318 1.982 4.509 0.288 11 0 "[ . 1 . 2]" 1
1376 1 86 GLU QB 1 87 HIS H 3.260 2.260 4.260 3.062 1.844 3.997 0.416 9 0 "[ . 1 . 2]" 1
1377 1 86 GLU QG 1 87 HIS H 4.340 3.340 5.340 3.955 2.211 4.696 1.129 4 1 "[ +. 1 . 2]" 1
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