NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
556129 |
2m34   |
18944 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m34
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 721
_Distance_constraint_stats_list.Viol_count 1605
_Distance_constraint_stats_list.Viol_total 5306.231
_Distance_constraint_stats_list.Viol_max 1.791
_Distance_constraint_stats_list.Viol_rms 0.0980
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.1653
_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 8 ARG 0.027 0.021 13 0 "[ . 1 . 2]"
1 9 ARG 0.027 0.021 13 0 "[ . 1 . 2]"
1 10 ARG 1.700 0.085 14 0 "[ . 1 . 2]"
1 11 ARG 0.818 0.096 13 0 "[ . 1 . 2]"
1 12 THR 3.481 0.118 7 0 "[ . 1 . 2]"
1 13 ALA 2.537 0.118 7 0 "[ . 1 . 2]"
1 14 PHE 17.255 0.812 13 19 "[*** -*******+*******]"
1 15 THR 4.812 0.282 2 0 "[ . 1 . 2]"
1 16 SER 13.894 1.109 17 11 "[ ** *** - ** +* *]"
1 17 GLU 15.504 1.109 17 11 "[ ** *** - ** +* *]"
1 18 GLN 8.174 0.343 13 0 "[ . 1 . 2]"
1 19 LEU 20.124 0.812 13 19 "[*** -*******+*******]"
1 20 LEU 1.511 0.194 3 0 "[ . 1 . 2]"
1 21 GLU 4.069 0.275 7 0 "[ . 1 . 2]"
1 22 LEU 12.651 1.020 1 15 "[+*-*** **** **.*** 2]"
1 23 GLU 37.464 1.455 9 20 [**-*****+***********]
1 24 LYS 0.063 0.063 6 0 "[ . 1 . 2]"
1 25 GLU 0.028 0.028 4 0 "[ . 1 . 2]"
1 26 PHE 1.873 0.314 4 0 "[ . 1 . 2]"
1 27 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 1.034 0.087 20 0 "[ . 1 . 2]"
1 29 LYS 1.794 0.087 20 0 "[ . 1 . 2]"
1 30 LYS 3.915 1.210 2 1 "[ + . 1 . 2]"
1 31 TYR 2.228 0.226 2 0 "[ . 1 . 2]"
1 32 LEU 4.032 0.303 15 0 "[ . 1 . 2]"
1 33 SER 21.284 0.828 17 16 "[***** * *****-**+* 2]"
1 34 LEU 16.105 0.828 17 14 "[* *** * *****-.*+ *2]"
1 35 THR 2.946 0.108 16 0 "[ . 1 . 2]"
1 36 GLU 9.121 0.734 16 6 "[ ** . 1 -*+ * 2]"
1 37 ARG 23.574 1.688 6 17 "[****.+********** -*2]"
1 38 SER 1.154 0.102 12 0 "[ . 1 . 2]"
1 39 GLN 14.973 0.593 6 18 "[ -***+********* ****]"
1 40 ILE 1.894 0.134 12 0 "[ . 1 . 2]"
1 41 ALA 12.092 0.684 14 6 "[ * - ** +. *2]"
1 42 HIS 0.300 0.102 12 0 "[ . 1 . 2]"
1 43 ALA 0.617 0.117 16 0 "[ . 1 . 2]"
1 44 LEU 2.687 0.343 13 0 "[ . 1 . 2]"
1 45 LYS 0.791 0.270 10 0 "[ . 1 . 2]"
1 46 LEU 26.081 1.791 18 12 "[ * ** **** **. +*-]"
1 47 SER 16.997 1.337 18 2 "[ . 1 .- + 2]"
1 48 GLU 20.500 1.688 6 17 "[****.+********** -*2]"
1 49 VAL 6.299 0.685 16 1 "[ . 1 .+ 2]"
1 50 GLN 36.930 1.791 18 19 "[* ***************+*-]"
1 51 VAL 13.968 1.004 10 15 "[* ***** *+ * **** *-]"
1 52 LYS 5.592 0.900 19 2 "[- . 1 . +2]"
1 53 ILE 7.886 0.900 19 2 "[- . 1 . +2]"
1 54 TRP 33.568 1.455 9 20 [********+*****-*****]
1 55 PHE 2.359 0.097 13 0 "[ . 1 . 2]"
1 56 GLN 5.562 0.090 9 0 "[ . 1 . 2]"
1 57 ASN 3.637 0.093 2 0 "[ . 1 . 2]"
1 58 ARG 5.251 0.816 13 3 "[ . * 1 + - 2]"
1 59 ARG 0.420 0.077 7 0 "[ . 1 . 2]"
1 60 ALA 0.838 0.072 6 0 "[ . 1 . 2]"
1 61 LYS 0.283 0.072 19 0 "[ . 1 . 2]"
1 62 TRP 4.726 1.210 2 1 "[ + . 1 . 2]"
1 63 LYS 0.716 0.078 16 0 "[ . 1 . 2]"
1 64 ARG 2.983 0.097 9 0 "[ . 1 . 2]"
1 65 ILE 6.086 0.122 11 0 "[ . 1 . 2]"
1 66 LYS 3.696 0.170 14 0 "[ . 1 . 2]"
1 67 ALA 2.752 0.170 14 0 "[ . 1 . 2]"
1 68 GLY 1.856 0.122 11 0 "[ . 1 . 2]"
1 69 ASN 2.840 0.341 9 0 "[ . 1 . 2]"
1 70 VAL 1.403 0.089 15 0 "[ . 1 . 2]"
1 71 SER 0.479 0.089 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG HA 1 9 ARG H . . 3.190 2.614 2.092 3.211 0.021 13 0 "[ . 1 . 2]" 1
2 1 10 ARG H 1 15 THR HB . . 3.150 3.139 2.579 3.234 0.084 2 0 "[ . 1 . 2]" 1
3 1 10 ARG HA 1 11 ARG H . . 3.070 2.631 2.202 3.134 0.064 20 0 "[ . 1 . 2]" 1
4 1 10 ARG HA 1 15 THR HA . . 4.380 2.875 2.028 3.809 . 0 0 "[ . 1 . 2]" 1
5 1 10 ARG HA 1 15 THR HB . . 3.160 2.856 2.090 3.245 0.085 14 0 "[ . 1 . 2]" 1
6 1 11 ARG HA 1 12 THR H . . 2.950 2.758 2.224 3.046 0.096 13 0 "[ . 1 . 2]" 1
7 1 12 THR H 1 12 THR HB . . 3.790 3.400 2.953 3.849 0.059 14 0 "[ . 1 . 2]" 1
8 1 12 THR H 1 12 THR MG . . 4.470 3.697 2.439 4.093 . 0 0 "[ . 1 . 2]" 1
9 1 12 THR HA 1 12 THR HB . . 2.960 2.848 2.486 3.032 0.072 13 0 "[ . 1 . 2]" 1
10 1 12 THR HA 1 12 THR MG . . 3.280 2.557 2.124 3.292 0.012 2 0 "[ . 1 . 2]" 1
11 1 12 THR HA 1 13 ALA H . . 2.820 2.446 1.920 2.828 0.008 8 0 "[ . 1 . 2]" 1
12 1 12 THR HA 1 13 ALA MB . . 4.650 4.255 3.966 4.479 . 0 0 "[ . 1 . 2]" 1
13 1 12 THR HA 1 14 PHE H . . 5.220 4.583 4.077 5.017 . 0 0 "[ . 1 . 2]" 1
14 1 12 THR HB 1 13 ALA H . . 3.870 3.507 2.465 3.967 0.097 9 0 "[ . 1 . 2]" 1
15 1 12 THR HB 1 13 ALA MB . . 5.210 4.413 3.676 5.215 0.005 8 0 "[ . 1 . 2]" 1
16 1 12 THR HB 1 14 PHE H . . 4.700 3.792 1.987 4.781 0.081 1 0 "[ . 1 . 2]" 1
17 1 12 THR MG 1 13 ALA H . . 4.260 2.428 1.808 3.006 . 0 0 "[ . 1 . 2]" 1
18 1 12 THR MG 1 13 ALA MB . . 3.150 3.157 2.882 3.268 0.118 7 0 "[ . 1 . 2]" 1
19 1 12 THR MG 1 14 PHE H . . 4.710 3.361 1.837 4.796 0.086 7 0 "[ . 1 . 2]" 1
20 1 13 ALA H 1 13 ALA MB . . 3.440 2.371 2.132 2.915 . 0 0 "[ . 1 . 2]" 1
21 1 13 ALA H 1 14 PHE H . . 3.900 3.252 2.671 3.986 0.086 3 0 "[ . 1 . 2]" 1
22 1 13 ALA HA 1 14 PHE QD . . 5.300 4.530 3.990 5.168 . 0 0 "[ . 1 . 2]" 1
23 1 13 ALA MB 1 14 PHE H . . 3.540 2.636 2.082 3.215 . 0 0 "[ . 1 . 2]" 1
24 1 13 ALA MB 1 14 PHE HA . . 4.920 4.170 3.946 4.337 . 0 0 "[ . 1 . 2]" 1
25 1 13 ALA MB 1 14 PHE HB3 . . 4.970 4.904 4.495 5.075 0.105 5 0 "[ . 1 . 2]" 1
26 1 13 ALA MB 1 14 PHE QD . . 4.780 2.265 2.006 2.894 . 0 0 "[ . 1 . 2]" 1
27 1 14 PHE H 1 14 PHE HB3 . . 3.810 3.786 3.630 3.879 0.069 3 0 "[ . 1 . 2]" 1
28 1 14 PHE H 1 14 PHE QD . . 3.990 2.734 2.035 3.076 . 0 0 "[ . 1 . 2]" 1
29 1 14 PHE H 1 19 LEU MD2 . . 4.910 4.727 4.288 4.990 0.080 9 0 "[ . 1 . 2]" 1
30 1 14 PHE H 1 19 LEU HG . . 5.020 4.864 4.447 5.100 0.080 15 0 "[ . 1 . 2]" 1
31 1 14 PHE HA 1 14 PHE QD . . 3.920 3.038 2.757 3.284 . 0 0 "[ . 1 . 2]" 1
32 1 14 PHE HA 1 15 THR H . . 2.930 2.564 2.208 2.927 . 0 0 "[ . 1 . 2]" 1
33 1 14 PHE HA 1 15 THR MG . . 3.900 3.554 3.186 3.891 . 0 0 "[ . 1 . 2]" 1
34 1 14 PHE HA 1 18 GLN HB3 . . 4.950 3.985 3.480 4.480 . 0 0 "[ . 1 . 2]" 1
35 1 14 PHE HA 1 19 LEU MD2 . . 5.070 4.891 4.629 5.163 0.093 19 0 "[ . 1 . 2]" 1
36 1 14 PHE HA 1 19 LEU HG . . 5.280 4.542 4.193 4.793 . 0 0 "[ . 1 . 2]" 1
37 1 14 PHE HA 1 46 LEU QD . . 4.520 3.321 2.938 3.907 . 0 0 "[ . 1 . 2]" 1
38 1 14 PHE HB3 1 15 THR H . . 3.640 2.579 1.990 3.247 . 0 0 "[ . 1 . 2]" 1
39 1 14 PHE HB3 1 15 THR MG . . 5.310 4.624 4.082 5.175 . 0 0 "[ . 1 . 2]" 1
40 1 14 PHE HB3 1 18 GLN H . . 4.850 4.771 4.202 4.923 0.073 15 0 "[ . 1 . 2]" 1
41 1 14 PHE HB3 1 18 GLN HB3 . . 4.320 3.086 2.630 3.674 . 0 0 "[ . 1 . 2]" 1
42 1 14 PHE HB3 1 19 LEU H . . 4.380 3.687 3.246 4.429 0.049 7 0 "[ . 1 . 2]" 1
43 1 14 PHE HB3 1 19 LEU HB3 . . 4.540 5.216 5.022 5.352 0.812 13 19 "[*** -*******+*******]" 1
44 1 14 PHE HB3 1 19 LEU MD1 . . 4.150 3.607 3.253 4.135 . 0 0 "[ . 1 . 2]" 1
45 1 14 PHE HB3 1 19 LEU MD2 . . 3.720 3.019 2.708 3.365 . 0 0 "[ . 1 . 2]" 1
46 1 14 PHE HB3 1 19 LEU HG . . 3.900 2.331 2.178 2.604 . 0 0 "[ . 1 . 2]" 1
47 1 14 PHE HB3 1 22 LEU QD . . 5.340 3.707 2.993 4.279 . 0 0 "[ . 1 . 2]" 1
48 1 14 PHE QD 1 18 GLN HB3 . . 4.610 2.806 2.185 3.872 . 0 0 "[ . 1 . 2]" 1
49 1 14 PHE QD 1 22 LEU QD . . 3.620 2.755 2.203 3.436 . 0 0 "[ . 1 . 2]" 1
50 1 14 PHE QD 1 46 LEU QD . . 3.430 2.314 2.050 2.648 . 0 0 "[ . 1 . 2]" 1
51 1 14 PHE QE 1 22 LEU QD . . 4.730 2.785 2.286 3.648 . 0 0 "[ . 1 . 2]" 1
52 1 14 PHE QE 1 46 LEU QD . . 4.740 2.534 2.029 3.583 . 0 0 "[ . 1 . 2]" 1
53 1 14 PHE QE 1 50 GLN HA . . 5.090 3.996 3.400 5.133 0.043 1 0 "[ . 1 . 2]" 1
54 1 14 PHE QE 1 54 TRP H . . 4.400 4.339 3.863 4.502 0.102 13 0 "[ . 1 . 2]" 1
55 1 14 PHE QE 1 54 TRP HB3 . . 4.980 4.029 3.468 4.650 . 0 0 "[ . 1 . 2]" 1
56 1 15 THR H 1 15 THR HB . . 4.120 3.776 3.591 4.039 . 0 0 "[ . 1 . 2]" 1
57 1 15 THR H 1 15 THR MG . . 3.030 2.556 1.945 3.012 . 0 0 "[ . 1 . 2]" 1
58 1 15 THR H 1 18 GLN H . . 3.960 3.270 2.999 3.432 . 0 0 "[ . 1 . 2]" 1
59 1 15 THR H 1 18 GLN HA . . 4.790 4.811 4.526 4.871 0.081 5 0 "[ . 1 . 2]" 1
60 1 15 THR H 1 18 GLN HB3 . . 3.900 3.405 3.022 3.636 . 0 0 "[ . 1 . 2]" 1
61 1 15 THR H 1 18 GLN HG3 . . 5.330 3.749 3.121 5.027 . 0 0 "[ . 1 . 2]" 1
62 1 15 THR H 1 19 LEU H . . 4.270 3.704 3.172 4.295 0.025 7 0 "[ . 1 . 2]" 1
63 1 15 THR H 1 19 LEU MD2 . . 5.170 4.891 4.242 5.260 0.090 16 0 "[ . 1 . 2]" 1
64 1 15 THR H 1 46 LEU QD . . 5.290 4.249 3.846 4.744 . 0 0 "[ . 1 . 2]" 1
65 1 15 THR HA 1 15 THR HB . . 2.990 2.326 2.196 2.483 . 0 0 "[ . 1 . 2]" 1
66 1 15 THR HA 1 15 THR MG . . 3.130 2.544 2.278 2.793 . 0 0 "[ . 1 . 2]" 1
67 1 15 THR HA 1 16 SER H . . 2.910 2.688 2.544 2.950 0.040 7 0 "[ . 1 . 2]" 1
68 1 15 THR HA 1 16 SER HA . . 4.810 4.439 4.319 4.545 . 0 0 "[ . 1 . 2]" 1
69 1 15 THR HA 1 17 GLU H . . 4.640 4.406 4.151 4.694 0.054 1 0 "[ . 1 . 2]" 1
70 1 15 THR HA 1 19 LEU MD1 . . 5.170 4.289 3.695 5.059 . 0 0 "[ . 1 . 2]" 1
71 1 15 THR HB 1 16 SER H . . 3.000 2.345 1.998 2.569 . 0 0 "[ . 1 . 2]" 1
72 1 15 THR HB 1 17 GLU H . . 3.580 3.205 2.844 3.619 0.039 3 0 "[ . 1 . 2]" 1
73 1 15 THR HB 1 18 GLN H . . 4.060 4.029 3.627 4.150 0.090 1 0 "[ . 1 . 2]" 1
74 1 15 THR MG 1 16 SER H . . 4.080 3.907 3.712 4.058 . 0 0 "[ . 1 . 2]" 1
75 1 15 THR MG 1 17 GLU H . . 4.430 4.253 3.968 4.535 0.105 2 0 "[ . 1 . 2]" 1
76 1 15 THR MG 1 18 GLN H . . 4.400 3.787 3.302 4.331 . 0 0 "[ . 1 . 2]" 1
77 1 15 THR MG 1 18 GLN HE21 . . 4.670 4.320 3.324 4.952 0.282 2 0 "[ . 1 . 2]" 1
78 1 15 THR MG 1 18 GLN HG3 . . 5.500 3.562 2.425 5.245 . 0 0 "[ . 1 . 2]" 1
79 1 15 THR MG 1 19 LEU H . . 5.480 5.270 4.822 5.577 0.097 17 0 "[ . 1 . 2]" 1
80 1 16 SER H 1 17 GLU H . . 3.540 2.576 2.246 2.926 . 0 0 "[ . 1 . 2]" 1
81 1 16 SER H 1 18 GLN H . . 4.990 4.282 3.905 4.544 . 0 0 "[ . 1 . 2]" 1
82 1 16 SER HA 1 17 GLU H . . 3.550 3.541 3.436 3.598 0.048 2 0 "[ . 1 . 2]" 1
83 1 16 SER HA 1 17 GLU HB3 . . 5.500 6.182 5.618 6.609 1.109 17 11 "[ ** *** - ** +* *]" 1
84 1 16 SER HA 1 19 LEU HB3 . . 4.820 4.395 4.043 4.536 . 0 0 "[ . 1 . 2]" 1
85 1 16 SER HA 1 19 LEU MD1 . . 4.120 3.151 2.602 3.966 . 0 0 "[ . 1 . 2]" 1
86 1 17 GLU H 1 17 GLU HB3 . . 3.400 2.963 2.246 3.513 0.113 18 0 "[ . 1 . 2]" 1
87 1 17 GLU H 1 17 GLU HG3 . . 4.340 3.573 2.316 4.413 0.073 9 0 "[ . 1 . 2]" 1
88 1 17 GLU H 1 18 GLN H . . 3.470 2.615 2.286 3.019 . 0 0 "[ . 1 . 2]" 1
89 1 17 GLU H 1 19 LEU H . . 5.080 4.005 3.620 4.321 . 0 0 "[ . 1 . 2]" 1
90 1 17 GLU HA 1 17 GLU HG3 . . 3.380 2.555 2.237 3.114 . 0 0 "[ . 1 . 2]" 1
91 1 17 GLU HA 1 20 LEU H . . 4.350 3.577 2.903 3.835 . 0 0 "[ . 1 . 2]" 1
92 1 17 GLU HA 1 20 LEU HB3 . . 3.550 2.901 2.314 3.617 0.067 8 0 "[ . 1 . 2]" 1
93 1 17 GLU HA 1 20 LEU QD . . 5.030 3.494 2.058 4.172 . 0 0 "[ . 1 . 2]" 1
94 1 17 GLU HA 1 44 LEU QD . . 5.500 5.167 4.871 5.442 . 0 0 "[ . 1 . 2]" 1
95 1 17 GLU HB3 1 18 GLN H . . 3.970 2.742 2.140 3.424 . 0 0 "[ . 1 . 2]" 1
96 1 17 GLU HG3 1 20 LEU QD . . 5.180 4.538 3.163 5.374 0.194 3 0 "[ . 1 . 2]" 1
97 1 18 GLN H 1 18 GLN HB3 . . 3.710 3.578 3.500 3.634 . 0 0 "[ . 1 . 2]" 1
98 1 18 GLN H 1 18 GLN HG3 . . 3.930 2.512 2.174 3.761 . 0 0 "[ . 1 . 2]" 1
99 1 18 GLN H 1 19 LEU H . . 3.500 2.846 2.658 3.064 . 0 0 "[ . 1 . 2]" 1
100 1 18 GLN H 1 44 LEU QD . . 5.290 4.468 3.978 5.083 . 0 0 "[ . 1 . 2]" 1
101 1 18 GLN HA 1 18 GLN HG3 . . 3.590 2.792 2.179 3.152 . 0 0 "[ . 1 . 2]" 1
102 1 18 GLN HA 1 21 GLU H . . 4.340 3.635 3.363 3.989 . 0 0 "[ . 1 . 2]" 1
103 1 18 GLN HA 1 21 GLU HB3 . . 4.290 4.394 3.303 4.565 0.275 7 0 "[ . 1 . 2]" 1
104 1 18 GLN HA 1 22 LEU QD . . 5.500 3.214 2.317 3.712 . 0 0 "[ . 1 . 2]" 1
105 1 18 GLN HA 1 44 LEU HB3 . . 5.230 3.458 2.592 4.157 . 0 0 "[ . 1 . 2]" 1
106 1 18 GLN HA 1 44 LEU QD . . 3.680 2.569 2.047 3.459 . 0 0 "[ . 1 . 2]" 1
107 1 18 GLN HB3 1 19 LEU H . . 4.680 3.713 3.306 4.337 . 0 0 "[ . 1 . 2]" 1
108 1 18 GLN HB3 1 22 LEU QD . . 4.410 2.916 2.365 3.612 . 0 0 "[ . 1 . 2]" 1
109 1 18 GLN HE21 1 44 LEU HB3 . . 5.180 3.053 2.110 3.548 . 0 0 "[ . 1 . 2]" 1
110 1 18 GLN HE21 1 44 LEU QD . . 5.500 4.178 3.651 4.879 . 0 0 "[ . 1 . 2]" 1
111 1 18 GLN HE21 1 45 LYS HB3 . . 5.010 3.498 2.704 4.839 . 0 0 "[ . 1 . 2]" 1
112 1 18 GLN HE21 1 46 LEU QD . . 3.770 3.164 2.728 3.574 . 0 0 "[ . 1 . 2]" 1
113 1 18 GLN HE21 1 46 LEU HG . . 4.680 2.708 2.151 3.050 . 0 0 "[ . 1 . 2]" 1
114 1 18 GLN HE22 1 18 GLN HG3 . . 3.860 3.804 3.536 3.918 0.058 12 0 "[ . 1 . 2]" 1
115 1 18 GLN HE22 1 44 LEU HB3 . . 5.000 4.588 3.532 5.071 0.071 14 0 "[ . 1 . 2]" 1
116 1 18 GLN HE22 1 45 LYS HB3 . . 4.820 3.742 3.195 5.090 0.270 10 0 "[ . 1 . 2]" 1
117 1 18 GLN HE22 1 46 LEU QD . . 4.490 3.023 2.386 4.212 . 0 0 "[ . 1 . 2]" 1
118 1 18 GLN HE22 1 46 LEU HG . . 4.220 3.244 2.202 4.303 0.083 19 0 "[ . 1 . 2]" 1
119 1 18 GLN HG3 1 44 LEU HA . . 5.020 4.695 3.295 5.363 0.343 13 0 "[ . 1 . 2]" 1
120 1 18 GLN HG3 1 44 LEU HB3 . . 4.390 3.431 2.194 3.919 . 0 0 "[ . 1 . 2]" 1
121 1 18 GLN HG3 1 46 LEU QD . . 5.450 3.792 2.628 4.161 . 0 0 "[ . 1 . 2]" 1
122 1 18 GLN HG3 1 46 LEU HG . . 5.400 4.498 3.374 5.077 . 0 0 "[ . 1 . 2]" 1
123 1 19 LEU H 1 19 LEU HB3 . . 3.430 3.583 3.520 3.678 0.248 13 0 "[ . 1 . 2]" 1
124 1 19 LEU H 1 19 LEU MD1 . . 3.950 3.647 3.418 4.034 0.084 7 0 "[ . 1 . 2]" 1
125 1 19 LEU H 1 19 LEU MD2 . . 3.860 3.790 3.578 3.958 0.098 17 0 "[ . 1 . 2]" 1
126 1 19 LEU H 1 19 LEU HG . . 3.410 2.706 2.412 3.224 . 0 0 "[ . 1 . 2]" 1
127 1 19 LEU H 1 20 LEU H . . 3.850 2.547 1.873 2.848 . 0 0 "[ . 1 . 2]" 1
128 1 19 LEU HA 1 19 LEU MD1 . . 4.220 3.850 3.723 3.892 . 0 0 "[ . 1 . 2]" 1
129 1 19 LEU HA 1 19 LEU MD2 . . 2.990 2.101 2.004 2.185 . 0 0 "[ . 1 . 2]" 1
130 1 19 LEU HA 1 19 LEU HG . . 4.100 2.918 2.744 3.116 . 0 0 "[ . 1 . 2]" 1
131 1 19 LEU HA 1 22 LEU H . . 4.690 3.507 3.198 3.742 . 0 0 "[ . 1 . 2]" 1
132 1 19 LEU HA 1 22 LEU HB3 . . 4.100 3.768 3.254 3.871 . 0 0 "[ . 1 . 2]" 1
133 1 19 LEU HA 1 22 LEU QD . . 3.730 2.791 2.334 3.417 . 0 0 "[ . 1 . 2]" 1
134 1 19 LEU HA 1 54 TRP HE1 . . 5.200 4.132 3.546 4.735 . 0 0 "[ . 1 . 2]" 1
135 1 19 LEU HB3 1 19 LEU MD1 . . 3.630 2.412 2.232 2.529 . 0 0 "[ . 1 . 2]" 1
136 1 19 LEU HB3 1 19 LEU MD2 . . 3.340 2.376 2.291 2.599 . 0 0 "[ . 1 . 2]" 1
137 1 19 LEU HB3 1 20 LEU H . . 4.220 3.764 3.361 4.156 . 0 0 "[ . 1 . 2]" 1
138 1 19 LEU MD1 1 20 LEU H . . 4.900 4.824 4.474 5.002 0.102 13 0 "[ . 1 . 2]" 1
139 1 19 LEU MD1 1 22 LEU QD . . 5.200 4.754 4.291 5.138 . 0 0 "[ . 1 . 2]" 1
140 1 19 LEU MD1 1 54 TRP HE1 . . 4.600 4.256 3.901 4.686 0.086 17 0 "[ . 1 . 2]" 1
141 1 19 LEU MD2 1 22 LEU HB3 . . 5.090 4.135 3.823 4.412 . 0 0 "[ . 1 . 2]" 1
142 1 19 LEU MD2 1 22 LEU QD . . 3.760 2.679 2.132 3.221 . 0 0 "[ . 1 . 2]" 1
143 1 19 LEU MD2 1 54 TRP HD1 . . 3.690 3.133 2.661 3.634 . 0 0 "[ . 1 . 2]" 1
144 1 19 LEU MD2 1 54 TRP HE1 . . 3.280 2.095 1.689 2.678 . 0 0 "[ . 1 . 2]" 1
145 1 19 LEU MD2 1 54 TRP HZ2 . . 4.220 3.466 2.813 4.285 0.065 14 0 "[ . 1 . 2]" 1
146 1 19 LEU HG 1 22 LEU QD . . 5.450 4.064 3.471 4.440 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU H 1 20 LEU HB3 . . 3.150 2.430 2.180 2.567 . 0 0 "[ . 1 . 2]" 1
148 1 20 LEU H 1 20 LEU QD . . 4.290 3.726 3.255 3.824 . 0 0 "[ . 1 . 2]" 1
149 1 20 LEU H 1 21 GLU H . . 3.630 2.470 2.195 2.819 . 0 0 "[ . 1 . 2]" 1
150 1 20 LEU HA 1 20 LEU QD . . 3.360 2.568 2.105 3.220 . 0 0 "[ . 1 . 2]" 1
151 1 20 LEU HA 1 20 LEU HG . . 3.720 2.962 2.367 3.764 0.044 3 0 "[ . 1 . 2]" 1
152 1 20 LEU HA 1 22 LEU H . . 5.190 4.202 3.764 4.951 . 0 0 "[ . 1 . 2]" 1
153 1 20 LEU HA 1 23 GLU H . . 4.650 3.872 3.379 4.733 0.083 13 0 "[ . 1 . 2]" 1
154 1 20 LEU HA 1 23 GLU HG3 . . 5.390 3.430 2.939 4.187 . 0 0 "[ . 1 . 2]" 1
155 1 20 LEU HB3 1 21 GLU H . . 3.790 2.648 2.238 3.647 . 0 0 "[ . 1 . 2]" 1
156 1 20 LEU QD 1 21 GLU H . . 5.070 3.417 2.833 3.741 . 0 0 "[ . 1 . 2]" 1
157 1 20 LEU QD 1 21 GLU HA . . 4.610 3.436 2.648 4.119 . 0 0 "[ . 1 . 2]" 1
158 1 21 GLU H 1 21 GLU HB3 . . 3.650 3.383 2.217 3.567 . 0 0 "[ . 1 . 2]" 1
159 1 21 GLU H 1 21 GLU HG3 . . 3.710 3.481 2.712 3.813 0.103 15 0 "[ . 1 . 2]" 1
160 1 21 GLU H 1 22 LEU H . . 3.740 2.607 2.466 2.777 . 0 0 "[ . 1 . 2]" 1
161 1 21 GLU H 1 22 LEU QD . . 5.500 4.163 3.691 4.796 . 0 0 "[ . 1 . 2]" 1
162 1 21 GLU H 1 44 LEU QD . . 4.820 3.907 3.497 4.394 . 0 0 "[ . 1 . 2]" 1
163 1 21 GLU HA 1 21 GLU HG3 . . 4.040 3.705 3.353 4.086 0.046 17 0 "[ . 1 . 2]" 1
164 1 21 GLU HA 1 24 LYS H . . 3.970 3.509 3.221 4.033 0.063 6 0 "[ . 1 . 2]" 1
165 1 21 GLU HA 1 44 LEU QD . . 4.940 4.088 3.619 4.703 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLU HB3 1 22 LEU H . . 4.110 3.788 3.377 4.163 0.053 17 0 "[ . 1 . 2]" 1
167 1 21 GLU HB3 1 44 LEU QD . . 3.630 2.279 1.909 3.277 . 0 0 "[ . 1 . 2]" 1
168 1 21 GLU HG3 1 44 LEU QD . . 3.660 2.286 1.903 2.939 . 0 0 "[ . 1 . 2]" 1
169 1 22 LEU H 1 22 LEU HB3 . . 4.180 3.340 2.992 3.461 . 0 0 "[ . 1 . 2]" 1
170 1 22 LEU H 1 22 LEU QD . . 3.730 2.801 2.454 3.252 . 0 0 "[ . 1 . 2]" 1
171 1 22 LEU H 1 23 GLU H . . 4.020 2.650 2.350 2.952 . 0 0 "[ . 1 . 2]" 1
172 1 22 LEU H 1 23 GLU HG3 . . 4.060 4.682 4.248 5.080 1.020 1 15 "[+*-*** **** **.*** 2]" 1
173 1 22 LEU H 1 44 LEU QD . . 4.690 3.831 3.303 4.443 . 0 0 "[ . 1 . 2]" 1
174 1 22 LEU HA 1 22 LEU QD . . 3.910 2.109 2.004 2.416 . 0 0 "[ . 1 . 2]" 1
175 1 22 LEU HA 1 22 LEU HG . . 2.900 2.715 2.270 2.881 . 0 0 "[ . 1 . 2]" 1
176 1 22 LEU HA 1 23 GLU HA . . 4.780 4.708 4.642 4.786 0.006 18 0 "[ . 1 . 2]" 1
177 1 22 LEU HA 1 44 LEU QD . . 4.420 3.744 3.270 4.185 . 0 0 "[ . 1 . 2]" 1
178 1 22 LEU HA 1 54 TRP HH2 . . 5.350 5.066 4.792 5.394 0.044 11 0 "[ . 1 . 2]" 1
179 1 22 LEU HA 1 55 PHE HE1 . . 4.420 3.439 2.701 4.234 . 0 0 "[ . 1 . 2]" 1
180 1 22 LEU HB3 1 23 GLU H . . 4.620 3.109 2.883 3.352 . 0 0 "[ . 1 . 2]" 1
181 1 22 LEU HB3 1 54 TRP HH2 . . 5.500 3.260 3.012 3.529 . 0 0 "[ . 1 . 2]" 1
182 1 22 LEU HB3 1 54 TRP HZ2 . . 4.690 3.464 3.099 3.746 . 0 0 "[ . 1 . 2]" 1
183 1 22 LEU HB3 1 54 TRP HZ3 . . 5.180 3.332 3.097 3.608 . 0 0 "[ . 1 . 2]" 1
184 1 22 LEU QD 1 44 LEU QD . . 4.360 2.047 1.847 2.497 . 0 0 "[ . 1 . 2]" 1
185 1 22 LEU QD 1 46 LEU QD . . 3.820 2.114 1.832 2.437 . 0 0 "[ . 1 . 2]" 1
186 1 22 LEU QD 1 51 VAL HA . . 5.500 3.255 2.700 3.962 . 0 0 "[ . 1 . 2]" 1
187 1 22 LEU QD 1 51 VAL QG . . 5.060 2.717 2.267 3.311 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU QD 1 54 TRP HA . . 5.500 4.710 4.430 5.470 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU QD 1 54 TRP HB3 . . 4.290 2.806 2.165 3.618 . 0 0 "[ . 1 . 2]" 1
190 1 22 LEU QD 1 54 TRP HD1 . . 3.920 3.351 2.952 3.935 0.015 8 0 "[ . 1 . 2]" 1
191 1 22 LEU QD 1 54 TRP HE1 . . 4.990 3.454 2.874 3.937 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU QD 1 54 TRP HE3 . . 4.800 3.433 2.723 4.040 . 0 0 "[ . 1 . 2]" 1
193 1 22 LEU QD 1 54 TRP HH2 . . 5.010 4.598 4.279 4.820 . 0 0 "[ . 1 . 2]" 1
194 1 22 LEU QD 1 54 TRP HZ2 . . 4.610 4.074 3.563 4.395 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU HG 1 51 VAL HA . . 5.250 4.312 3.841 4.892 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU HG 1 51 VAL QG . . 3.820 3.556 2.910 3.816 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU HG 1 54 TRP HB3 . . 5.290 3.745 3.214 4.639 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU HG 1 54 TRP HE3 . . 4.570 3.366 2.752 4.214 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU HG 1 55 PHE QD . . 4.010 3.549 2.983 4.080 0.070 8 0 "[ . 1 . 2]" 1
200 1 22 LEU HG 1 55 PHE HE1 . . 3.400 2.423 2.173 2.754 . 0 0 "[ . 1 . 2]" 1
201 1 23 GLU H 1 23 GLU HB3 . . 3.540 2.732 2.533 2.909 . 0 0 "[ . 1 . 2]" 1
202 1 23 GLU H 1 23 GLU HG3 . . 5.020 2.688 2.176 3.024 . 0 0 "[ . 1 . 2]" 1
203 1 23 GLU H 1 54 TRP HH2 . . 4.820 3.507 3.220 4.067 . 0 0 "[ . 1 . 2]" 1
204 1 23 GLU H 1 54 TRP HZ2 . . 5.380 4.099 3.935 4.456 . 0 0 "[ . 1 . 2]" 1
205 1 23 GLU HA 1 23 GLU HG3 . . 4.070 3.701 3.584 3.760 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLU HA 1 26 PHE HB3 . . 3.970 3.027 2.172 4.284 0.314 4 0 "[ . 1 . 2]" 1
207 1 23 GLU HA 1 54 TRP HH2 . . 3.410 2.150 1.974 2.261 . 0 0 "[ . 1 . 2]" 1
208 1 23 GLU HA 1 54 TRP HZ2 . . 4.330 4.241 3.750 4.411 0.081 18 0 "[ . 1 . 2]" 1
209 1 23 GLU HG3 1 24 LYS H . . 4.670 2.495 2.202 2.719 . 0 0 "[ . 1 . 2]" 1
210 1 23 GLU HG3 1 54 TRP HZ2 . . 4.550 5.742 5.230 6.005 1.455 9 20 [********+******-****] 1
211 1 24 LYS H 1 24 LYS HG3 . . 5.200 3.992 2.116 4.227 . 0 0 "[ . 1 . 2]" 1
212 1 24 LYS H 1 25 GLU H . . 4.220 2.793 2.372 3.024 . 0 0 "[ . 1 . 2]" 1
213 1 24 LYS H 1 26 PHE H . . 5.160 4.030 3.637 4.563 . 0 0 "[ . 1 . 2]" 1
214 1 24 LYS H 1 54 TRP HH2 . . 5.420 5.129 4.837 5.307 . 0 0 "[ . 1 . 2]" 1
215 1 24 LYS HA 1 24 LYS HG3 . . 3.760 2.371 2.160 3.565 . 0 0 "[ . 1 . 2]" 1
216 1 24 LYS HA 1 26 PHE H . . 5.010 4.124 3.721 4.680 . 0 0 "[ . 1 . 2]" 1
217 1 24 LYS HG3 1 25 GLU H . . 5.370 4.732 4.067 5.187 . 0 0 "[ . 1 . 2]" 1
218 1 25 GLU HA 1 29 LYS H . . 4.790 4.176 3.565 4.818 0.028 4 0 "[ . 1 . 2]" 1
219 1 25 GLU HA 1 40 ILE MD . . 5.500 4.791 4.091 5.282 . 0 0 "[ . 1 . 2]" 1
220 1 26 PHE H 1 26 PHE HB3 . . 3.710 2.660 2.497 2.877 . 0 0 "[ . 1 . 2]" 1
221 1 26 PHE H 1 27 HIS H . . 3.870 2.573 2.223 3.731 . 0 0 "[ . 1 . 2]" 1
222 1 26 PHE HA 1 29 LYS H . . 4.260 3.962 3.336 4.341 0.081 2 0 "[ . 1 . 2]" 1
223 1 26 PHE QD 1 27 HIS H . . 5.180 4.682 4.323 4.969 . 0 0 "[ . 1 . 2]" 1
224 1 26 PHE QD 1 30 LYS HA . . 4.340 3.048 2.480 4.157 . 0 0 "[ . 1 . 2]" 1
225 1 26 PHE QE 1 30 LYS HA . . 4.880 2.971 2.273 3.670 . 0 0 "[ . 1 . 2]" 1
226 1 26 PHE QE 1 30 LYS HB3 . . 4.610 3.574 2.630 4.502 . 0 0 "[ . 1 . 2]" 1
227 1 26 PHE QE 1 30 LYS HD3 . . 5.500 3.414 2.592 4.866 . 0 0 "[ . 1 . 2]" 1
228 1 26 PHE QE 1 30 LYS HE3 . . 4.980 3.972 3.184 5.045 0.065 9 0 "[ . 1 . 2]" 1
229 1 26 PHE QE 1 59 ARG HA . . 4.110 3.426 2.692 4.083 . 0 0 "[ . 1 . 2]" 1
230 1 26 PHE QE 1 59 ARG HG3 . . 3.690 2.793 2.219 3.767 0.077 7 0 "[ . 1 . 2]" 1
231 1 26 PHE QE 1 62 TRP HB3 . . 4.470 4.000 3.518 4.620 0.150 15 0 "[ . 1 . 2]" 1
232 1 26 PHE HZ 1 59 ARG HA . . 3.760 2.763 2.175 3.365 . 0 0 "[ . 1 . 2]" 1
233 1 26 PHE HZ 1 59 ARG HG3 . . 4.810 3.984 2.618 4.884 0.074 13 0 "[ . 1 . 2]" 1
234 1 26 PHE HZ 1 62 TRP H . . 5.130 4.479 4.041 5.112 . 0 0 "[ . 1 . 2]" 1
235 1 26 PHE HZ 1 62 TRP HB3 . . 4.020 2.986 2.462 3.463 . 0 0 "[ . 1 . 2]" 1
236 1 26 PHE HZ 1 62 TRP HE3 . . 4.350 3.818 3.186 4.437 0.087 15 0 "[ . 1 . 2]" 1
237 1 27 HIS HA 1 27 HIS HD2 . . 4.430 3.162 2.258 4.304 . 0 0 "[ . 1 . 2]" 1
238 1 28 CYS H 1 29 LYS HA . . 4.960 4.972 4.695 5.047 0.087 20 0 "[ . 1 . 2]" 1
239 1 29 LYS H 1 29 LYS HB3 . . 4.200 3.639 3.232 3.791 . 0 0 "[ . 1 . 2]" 1
240 1 29 LYS HA 1 30 LYS H . . 2.890 2.299 2.066 2.513 . 0 0 "[ . 1 . 2]" 1
241 1 29 LYS HA 1 31 TYR H . . 4.120 3.761 3.150 4.200 0.080 13 0 "[ . 1 . 2]" 1
242 1 29 LYS HB3 1 30 LYS H . . 4.370 3.113 2.254 4.221 . 0 0 "[ . 1 . 2]" 1
243 1 29 LYS HB3 1 31 TYR H . . 4.900 3.029 2.313 3.655 . 0 0 "[ . 1 . 2]" 1
244 1 29 LYS HB3 1 32 LEU QD . . 4.160 3.068 2.114 4.180 0.020 20 0 "[ . 1 . 2]" 1
245 1 30 LYS H 1 30 LYS HB3 . . 4.080 3.726 3.594 3.889 . 0 0 "[ . 1 . 2]" 1
246 1 30 LYS H 1 30 LYS HG3 . . 4.280 4.021 3.574 4.353 0.073 6 0 "[ . 1 . 2]" 1
247 1 30 LYS H 1 31 TYR H . . 3.310 2.274 1.770 2.904 . 0 0 "[ . 1 . 2]" 1
248 1 30 LYS H 1 31 TYR QD . . 4.490 4.090 3.181 4.576 0.086 8 0 "[ . 1 . 2]" 1
249 1 30 LYS HA 1 30 LYS HD3 . . 3.730 2.403 2.101 4.551 0.821 2 1 "[ + . 1 . 2]" 1
250 1 30 LYS HB3 1 31 TYR H . . 4.970 4.040 3.556 4.471 . 0 0 "[ . 1 . 2]" 1
251 1 30 LYS HB3 1 31 TYR QD . . 4.010 3.074 2.544 3.726 . 0 0 "[ . 1 . 2]" 1
252 1 30 LYS HB3 1 31 TYR QE . . 4.340 3.876 2.870 4.425 0.085 16 0 "[ . 1 . 2]" 1
253 1 30 LYS HE3 1 62 TRP HE1 . . 5.040 3.871 2.792 5.108 0.068 18 0 "[ . 1 . 2]" 1
254 1 30 LYS HE3 1 62 TRP HZ2 . . 5.200 4.552 2.975 5.259 0.059 5 0 "[ . 1 . 2]" 1
255 1 30 LYS HG3 1 31 TYR QD . . 5.340 4.636 4.176 5.566 0.226 2 0 "[ . 1 . 2]" 1
256 1 30 LYS HG3 1 62 TRP HH2 . . 4.650 3.916 2.758 5.860 1.210 2 1 "[ + . 1 . 2]" 1
257 1 30 LYS HG3 1 62 TRP HZ2 . . 4.660 3.812 2.928 5.106 0.446 2 0 "[ . 1 . 2]" 1
258 1 31 TYR H 1 31 TYR HB3 . . 3.890 3.677 3.368 3.874 . 0 0 "[ . 1 . 2]" 1
259 1 31 TYR H 1 31 TYR QD . . 3.240 3.154 2.803 3.329 0.089 13 0 "[ . 1 . 2]" 1
260 1 31 TYR H 1 32 LEU H . . 4.860 4.165 3.717 4.411 . 0 0 "[ . 1 . 2]" 1
261 1 31 TYR HA 1 31 TYR QD . . 3.750 3.524 3.038 3.787 0.037 14 0 "[ . 1 . 2]" 1
262 1 31 TYR HA 1 32 LEU H . . 3.070 2.293 2.085 2.653 . 0 0 "[ . 1 . 2]" 1
263 1 31 TYR HA 1 32 LEU QD . . 5.100 3.711 2.310 4.641 . 0 0 "[ . 1 . 2]" 1
264 1 31 TYR HA 1 55 PHE QD . . 5.140 3.590 2.487 4.888 . 0 0 "[ . 1 . 2]" 1
265 1 31 TYR HB3 1 32 LEU H . . 4.270 3.673 2.513 4.337 0.067 14 0 "[ . 1 . 2]" 1
266 1 31 TYR QD 1 32 LEU H . . 4.760 4.184 3.225 4.855 0.095 7 0 "[ . 1 . 2]" 1
267 1 31 TYR QE 1 62 TRP HH2 . . 4.780 4.290 2.596 4.868 0.088 16 0 "[ . 1 . 2]" 1
268 1 32 LEU H 1 32 LEU HB3 . . 3.560 3.643 3.470 3.863 0.303 15 0 "[ . 1 . 2]" 1
269 1 32 LEU H 1 32 LEU QD . . 4.580 2.839 1.823 3.786 . 0 0 "[ . 1 . 2]" 1
270 1 32 LEU H 1 32 LEU HG . . 3.760 3.290 2.233 3.850 0.090 19 0 "[ . 1 . 2]" 1
271 1 32 LEU H 1 33 SER H . . 5.030 4.422 3.874 4.623 . 0 0 "[ . 1 . 2]" 1
272 1 32 LEU H 1 55 PHE QD . . 4.990 4.300 3.593 5.049 0.059 16 0 "[ . 1 . 2]" 1
273 1 32 LEU HA 1 32 LEU QD . . 3.190 2.187 2.093 2.332 . 0 0 "[ . 1 . 2]" 1
274 1 32 LEU HA 1 33 SER H . . 3.130 2.184 2.024 2.491 . 0 0 "[ . 1 . 2]" 1
275 1 32 LEU HB3 1 33 SER H . . 4.570 2.945 2.021 3.592 . 0 0 "[ . 1 . 2]" 1
276 1 32 LEU HB3 1 36 GLU HB3 . . 4.350 3.118 2.559 3.698 . 0 0 "[ . 1 . 2]" 1
277 1 32 LEU HB3 1 37 ARG H . . 4.720 2.844 2.535 3.369 . 0 0 "[ . 1 . 2]" 1
278 1 32 LEU HB3 1 37 ARG HA . . 5.320 3.358 2.619 3.977 . 0 0 "[ . 1 . 2]" 1
279 1 32 LEU QD 1 33 SER H . . 4.180 3.550 3.264 3.969 . 0 0 "[ . 1 . 2]" 1
280 1 32 LEU QD 1 36 GLU H . . 5.330 4.803 4.373 5.051 . 0 0 "[ . 1 . 2]" 1
281 1 32 LEU QD 1 36 GLU HA . . 5.010 4.242 3.744 4.615 . 0 0 "[ . 1 . 2]" 1
282 1 32 LEU QD 1 36 GLU HB3 . . 3.480 2.297 2.016 2.745 . 0 0 "[ . 1 . 2]" 1
283 1 32 LEU QD 1 37 ARG H . . 5.140 3.757 2.884 4.260 . 0 0 "[ . 1 . 2]" 1
284 1 32 LEU QD 1 37 ARG HA . . 3.560 2.694 1.947 3.424 . 0 0 "[ . 1 . 2]" 1
285 1 32 LEU QD 1 37 ARG HG3 . . 4.700 3.250 2.777 4.658 . 0 0 "[ . 1 . 2]" 1
286 1 32 LEU QD 1 40 ILE H . . 5.500 4.432 3.632 4.945 . 0 0 "[ . 1 . 2]" 1
287 1 32 LEU QD 1 40 ILE HB . . 4.860 3.485 2.653 4.082 . 0 0 "[ . 1 . 2]" 1
288 1 32 LEU QD 1 40 ILE MD . . 3.730 1.922 1.763 2.895 . 0 0 "[ . 1 . 2]" 1
289 1 32 LEU QD 1 40 ILE HG13 . . 5.500 3.628 2.246 3.958 . 0 0 "[ . 1 . 2]" 1
290 1 32 LEU QD 1 51 VAL QG . . 3.660 2.361 1.988 3.164 . 0 0 "[ . 1 . 2]" 1
291 1 32 LEU QD 1 55 PHE HB3 . . 5.500 4.067 3.448 4.750 . 0 0 "[ . 1 . 2]" 1
292 1 32 LEU QD 1 55 PHE QD . . 4.710 3.071 2.614 3.542 . 0 0 "[ . 1 . 2]" 1
293 1 32 LEU QD 1 55 PHE HE1 . . 4.470 3.371 2.923 3.848 . 0 0 "[ . 1 . 2]" 1
294 1 32 LEU QD 1 55 PHE HE2 . . 4.500 2.774 2.070 3.279 . 0 0 "[ . 1 . 2]" 1
295 1 32 LEU HG 1 55 PHE QD . . 5.310 4.119 2.572 5.407 0.097 13 0 "[ . 1 . 2]" 1
296 1 32 LEU HG 1 55 PHE HE1 . . 5.500 5.421 5.073 5.576 0.076 6 0 "[ . 1 . 2]" 1
297 1 33 SER H 1 33 SER HB3 . . 4.100 2.793 2.181 3.514 . 0 0 "[ . 1 . 2]" 1
298 1 33 SER H 1 34 LEU H . . 5.110 4.510 4.282 4.656 . 0 0 "[ . 1 . 2]" 1
299 1 33 SER H 1 36 GLU H . . 4.120 3.692 3.075 4.115 . 0 0 "[ . 1 . 2]" 1
300 1 33 SER H 1 36 GLU HB3 . . 3.340 3.673 3.154 4.074 0.734 16 6 "[ ** . 1 -*+ * 2]" 1
301 1 33 SER H 1 37 ARG H . . 4.690 4.086 2.913 4.512 . 0 0 "[ . 1 . 2]" 1
302 1 33 SER HA 1 34 LEU H . . 3.030 2.525 2.353 2.850 . 0 0 "[ . 1 . 2]" 1
303 1 33 SER HA 1 34 LEU HB3 . . 5.220 5.740 5.283 6.028 0.808 9 12 "[* *** * +****-.* 2]" 1
304 1 33 SER HA 1 34 LEU HG . . 5.500 4.964 3.836 5.576 0.076 20 0 "[ . 1 . 2]" 1
305 1 33 SER HA 1 35 THR H . . 4.670 4.636 4.214 4.751 0.081 9 0 "[ . 1 . 2]" 1
306 1 33 SER HB3 1 34 LEU H . . 3.260 3.136 2.301 4.088 0.828 17 4 "[ -. 1** . + 2]" 1
307 1 33 SER HB3 1 35 THR H . . 5.030 3.519 2.813 4.727 . 0 0 "[ . 1 . 2]" 1
308 1 34 LEU H 1 34 LEU HB3 . . 3.570 3.311 3.011 3.541 . 0 0 "[ . 1 . 2]" 1
309 1 34 LEU H 1 34 LEU MD1 . . 4.270 3.517 1.966 4.107 . 0 0 "[ . 1 . 2]" 1
310 1 34 LEU H 1 34 LEU MD2 . . 4.450 4.163 3.574 4.414 . 0 0 "[ . 1 . 2]" 1
311 1 34 LEU H 1 34 LEU HG . . 3.780 3.252 1.872 3.860 0.080 13 0 "[ . 1 . 2]" 1
312 1 34 LEU H 1 35 THR H . . 3.410 2.789 2.519 3.136 . 0 0 "[ . 1 . 2]" 1
313 1 34 LEU H 1 36 GLU H . . 4.910 4.304 3.864 4.668 . 0 0 "[ . 1 . 2]" 1
314 1 34 LEU HA 1 34 LEU MD2 . . 3.230 2.477 2.105 3.893 0.663 19 1 "[ . 1 . +2]" 1
315 1 34 LEU HA 1 34 LEU HG . . 3.100 2.435 2.129 3.185 0.085 19 0 "[ . 1 . 2]" 1
316 1 34 LEU HA 1 35 THR H . . 3.470 3.528 3.354 3.554 0.084 3 0 "[ . 1 . 2]" 1
317 1 34 LEU HB3 1 34 LEU MD1 . . 3.540 2.603 2.399 3.133 . 0 0 "[ . 1 . 2]" 1
318 1 34 LEU HB3 1 35 THR H . . 4.040 3.046 2.239 4.096 0.056 19 0 "[ . 1 . 2]" 1
319 1 35 THR H 1 35 THR HB . . 3.800 2.603 2.276 3.119 . 0 0 "[ . 1 . 2]" 1
320 1 35 THR H 1 35 THR MG . . 3.830 3.314 2.081 3.840 0.010 7 0 "[ . 1 . 2]" 1
321 1 35 THR H 1 36 GLU H . . 3.390 2.712 2.079 2.914 . 0 0 "[ . 1 . 2]" 1
322 1 35 THR HB 1 36 GLU H . . 3.890 2.945 2.239 3.963 0.073 13 0 "[ . 1 . 2]" 1
323 1 35 THR MG 1 36 GLU H . . 4.320 3.210 2.042 3.955 . 0 0 "[ . 1 . 2]" 1
324 1 35 THR MG 1 39 GLN HE21 . . 4.790 4.171 2.597 4.870 0.080 18 0 "[ . 1 . 2]" 1
325 1 35 THR MG 1 39 GLN HE22 . . 5.000 4.709 3.534 5.108 0.108 16 0 "[ . 1 . 2]" 1
326 1 35 THR MG 1 39 GLN HG3 . . 5.020 3.368 2.335 4.139 . 0 0 "[ . 1 . 2]" 1
327 1 36 GLU H 1 36 GLU HB3 . . 3.680 3.564 3.475 3.650 . 0 0 "[ . 1 . 2]" 1
328 1 36 GLU H 1 37 ARG H . . 3.400 2.766 2.544 2.975 . 0 0 "[ . 1 . 2]" 1
329 1 36 GLU H 1 37 ARG HA . . 5.500 5.386 5.199 5.548 0.048 11 0 "[ . 1 . 2]" 1
330 1 36 GLU HA 1 39 GLN H . . 3.740 3.320 3.036 3.638 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLU HB3 1 37 ARG H . . 3.570 3.630 3.332 3.910 0.340 16 0 "[ . 1 . 2]" 1
332 1 36 GLU HB3 1 40 ILE MD . . 5.500 3.365 2.400 4.277 . 0 0 "[ . 1 . 2]" 1
333 1 37 ARG H 1 37 ARG HG3 . . 4.490 4.404 3.738 4.510 0.020 20 0 "[ . 1 . 2]" 1
334 1 37 ARG H 1 38 SER H . . 3.450 2.679 2.507 2.887 . 0 0 "[ . 1 . 2]" 1
335 1 37 ARG H 1 38 SER HB3 . . 5.410 5.030 4.349 5.485 0.075 15 0 "[ . 1 . 2]" 1
336 1 37 ARG H 1 39 GLN H . . 4.830 4.152 3.835 4.471 . 0 0 "[ . 1 . 2]" 1
337 1 37 ARG HA 1 37 ARG HD3 . . 5.100 4.365 4.025 4.814 . 0 0 "[ . 1 . 2]" 1
338 1 37 ARG HA 1 37 ARG HG3 . . 3.730 2.577 2.372 3.729 . 0 0 "[ . 1 . 2]" 1
339 1 37 ARG HA 1 40 ILE H . . 4.210 3.634 3.273 4.185 . 0 0 "[ . 1 . 2]" 1
340 1 37 ARG HA 1 40 ILE HB . . 3.910 2.949 2.365 3.662 . 0 0 "[ . 1 . 2]" 1
341 1 37 ARG HA 1 40 ILE MD . . 4.350 3.132 2.140 4.351 0.001 12 0 "[ . 1 . 2]" 1
342 1 37 ARG HA 1 40 ILE MG . . 4.660 4.248 3.481 4.740 0.080 16 0 "[ . 1 . 2]" 1
343 1 37 ARG HA 1 51 VAL QG . . 3.970 2.988 2.515 3.763 . 0 0 "[ . 1 . 2]" 1
344 1 37 ARG HD3 1 48 GLU HG3 . . 5.500 6.486 5.550 7.188 1.688 6 17 "[****.+********** -*2]" 1
345 1 37 ARG HD3 1 51 VAL HB . . 4.930 4.001 2.652 4.548 . 0 0 "[ . 1 . 2]" 1
346 1 37 ARG HD3 1 51 VAL QG . . 5.250 3.804 3.188 4.440 . 0 0 "[ . 1 . 2]" 1
347 1 37 ARG HD3 1 52 LYS H . . 4.450 4.073 2.517 4.723 0.273 16 0 "[ . 1 . 2]" 1
348 1 37 ARG HD3 1 52 LYS HA . . 4.360 3.706 2.568 4.446 0.086 18 0 "[ . 1 . 2]" 1
349 1 37 ARG HD3 1 52 LYS HB3 . . 5.160 4.694 3.584 5.393 0.233 9 0 "[ . 1 . 2]" 1
350 1 37 ARG HD3 1 52 LYS HG3 . . 5.370 4.638 3.467 5.397 0.027 18 0 "[ . 1 . 2]" 1
351 1 37 ARG HG3 1 38 SER H . . 4.910 4.767 3.379 4.975 0.065 16 0 "[ . 1 . 2]" 1
352 1 37 ARG HG3 1 48 GLU HA . . 5.500 3.515 2.883 4.293 . 0 0 "[ . 1 . 2]" 1
353 1 37 ARG HG3 1 51 VAL QG . . 4.260 2.533 2.162 3.499 . 0 0 "[ . 1 . 2]" 1
354 1 38 SER H 1 38 SER HB3 . . 2.990 2.636 2.225 3.069 0.079 15 0 "[ . 1 . 2]" 1
355 1 38 SER HA 1 41 ALA H . . 4.230 3.620 3.077 4.228 . 0 0 "[ . 1 . 2]" 1
356 1 38 SER HA 1 41 ALA MB . . 3.380 2.589 2.191 2.976 . 0 0 "[ . 1 . 2]" 1
357 1 38 SER HA 1 42 HIS HD2 . . 4.580 3.810 2.983 4.682 0.102 12 0 "[ . 1 . 2]" 1
358 1 38 SER HA 1 48 GLU HA . . 5.060 4.695 3.710 5.132 0.072 14 0 "[ . 1 . 2]" 1
359 1 38 SER HA 1 48 GLU HG3 . . 4.550 3.806 3.320 4.108 . 0 0 "[ . 1 . 2]" 1
360 1 38 SER HB3 1 39 GLN HG3 . . 5.500 4.172 3.447 5.384 . 0 0 "[ . 1 . 2]" 1
361 1 38 SER HB3 1 41 ALA MB . . 5.460 5.065 4.649 5.363 . 0 0 "[ . 1 . 2]" 1
362 1 39 GLN H 1 39 GLN HB3 . . 3.060 3.616 3.510 3.653 0.593 6 18 "[ -***+********* ****]" 1
363 1 39 GLN H 1 39 GLN HG3 . . 3.760 2.643 2.117 3.588 . 0 0 "[ . 1 . 2]" 1
364 1 39 GLN H 1 40 ILE H . . 3.320 2.826 2.598 2.987 . 0 0 "[ . 1 . 2]" 1
365 1 39 GLN H 1 40 ILE HB . . 4.840 4.828 4.458 4.912 0.072 12 0 "[ . 1 . 2]" 1
366 1 39 GLN HA 1 39 GLN HG3 . . 3.520 3.514 3.037 3.828 0.308 5 0 "[ . 1 . 2]" 1
367 1 39 GLN HB3 1 40 ILE H . . 3.570 3.482 3.071 3.704 0.134 12 0 "[ . 1 . 2]" 1
368 1 39 GLN HG3 1 40 ILE H . . 4.730 4.317 4.040 4.763 0.033 5 0 "[ . 1 . 2]" 1
369 1 40 ILE H 1 40 ILE HB . . 2.980 2.416 2.248 2.684 . 0 0 "[ . 1 . 2]" 1
370 1 40 ILE H 1 40 ILE MD . . 4.060 3.299 2.788 3.699 . 0 0 "[ . 1 . 2]" 1
371 1 40 ILE H 1 40 ILE HG13 . . 4.010 2.309 1.969 3.885 . 0 0 "[ . 1 . 2]" 1
372 1 40 ILE H 1 40 ILE MG . . 4.050 3.770 3.706 3.896 . 0 0 "[ . 1 . 2]" 1
373 1 40 ILE HA 1 40 ILE MD . . 4.310 3.765 2.183 3.925 . 0 0 "[ . 1 . 2]" 1
374 1 40 ILE HA 1 40 ILE HG13 . . 3.580 2.861 2.406 3.658 0.078 12 0 "[ . 1 . 2]" 1
375 1 40 ILE HA 1 40 ILE MG . . 3.330 2.521 2.364 2.663 . 0 0 "[ . 1 . 2]" 1
376 1 40 ILE HA 1 43 ALA H . . 3.800 3.598 3.326 3.876 0.076 12 0 "[ . 1 . 2]" 1
377 1 40 ILE HA 1 43 ALA MB . . 3.350 2.651 2.275 3.008 . 0 0 "[ . 1 . 2]" 1
378 1 40 ILE HB 1 40 ILE MD . . 3.650 2.398 2.237 3.267 . 0 0 "[ . 1 . 2]" 1
379 1 40 ILE HB 1 41 ALA H . . 3.540 2.696 2.449 3.106 . 0 0 "[ . 1 . 2]" 1
380 1 40 ILE HB 1 51 VAL QG . . 3.790 2.708 2.214 3.182 . 0 0 "[ . 1 . 2]" 1
381 1 40 ILE MD 1 40 ILE MG . . 3.120 2.153 2.045 2.378 . 0 0 "[ . 1 . 2]" 1
382 1 40 ILE MD 1 55 PHE HE1 . . 4.890 3.896 2.994 4.963 0.073 12 0 "[ . 1 . 2]" 1
383 1 40 ILE MG 1 41 ALA H . . 3.670 3.370 2.955 3.635 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE MG 1 41 ALA HA . . 4.140 3.438 3.111 3.782 . 0 0 "[ . 1 . 2]" 1
385 1 40 ILE MG 1 43 ALA H . . 5.500 4.945 4.279 5.351 . 0 0 "[ . 1 . 2]" 1
386 1 40 ILE MG 1 43 ALA MB . . 5.390 3.804 3.306 4.361 . 0 0 "[ . 1 . 2]" 1
387 1 40 ILE MG 1 44 LEU H . . 4.380 4.117 3.740 4.454 0.074 12 0 "[ . 1 . 2]" 1
388 1 40 ILE MG 1 44 LEU QD . . 3.490 2.183 1.955 2.784 . 0 0 "[ . 1 . 2]" 1
389 1 40 ILE MG 1 44 LEU HG . . 4.620 3.336 2.707 4.271 . 0 0 "[ . 1 . 2]" 1
390 1 40 ILE MG 1 51 VAL QG . . 2.830 2.219 1.958 2.699 . 0 0 "[ . 1 . 2]" 1
391 1 40 ILE MG 1 55 PHE HE1 . . 4.700 3.262 2.794 4.243 . 0 0 "[ . 1 . 2]" 1
392 1 41 ALA H 1 41 ALA MB . . 2.950 2.248 2.141 2.297 . 0 0 "[ . 1 . 2]" 1
393 1 41 ALA H 1 42 HIS H . . 3.440 2.819 2.704 2.969 . 0 0 "[ . 1 . 2]" 1
394 1 41 ALA H 1 51 VAL QG . . 4.080 3.027 2.705 3.586 . 0 0 "[ . 1 . 2]" 1
395 1 41 ALA HA 1 44 LEU H . . 4.580 3.941 3.707 4.207 . 0 0 "[ . 1 . 2]" 1
396 1 41 ALA HA 1 44 LEU HB3 . . 5.500 5.327 4.521 5.585 0.085 8 0 "[ . 1 . 2]" 1
397 1 41 ALA HA 1 44 LEU QD . . 4.780 4.193 3.251 4.707 . 0 0 "[ . 1 . 2]" 1
398 1 41 ALA HA 1 46 LEU H . . 3.650 2.978 2.607 3.321 . 0 0 "[ . 1 . 2]" 1
399 1 41 ALA HA 1 46 LEU HB3 . . 3.340 3.494 3.213 3.690 0.350 16 0 "[ . 1 . 2]" 1
400 1 41 ALA HA 1 46 LEU QD . . 4.400 3.460 3.090 3.848 . 0 0 "[ . 1 . 2]" 1
401 1 41 ALA HA 1 46 LEU HG . . 5.180 4.501 4.288 4.783 . 0 0 "[ . 1 . 2]" 1
402 1 41 ALA HA 1 47 SER H . . 4.840 4.553 4.107 4.902 0.062 12 0 "[ . 1 . 2]" 1
403 1 41 ALA HA 1 51 VAL HB . . 5.500 5.083 4.573 5.542 0.042 8 0 "[ . 1 . 2]" 1
404 1 41 ALA HA 1 51 VAL QG . . 3.430 2.553 2.162 3.034 . 0 0 "[ . 1 . 2]" 1
405 1 41 ALA MB 1 42 HIS H . . 3.230 2.571 2.296 2.816 . 0 0 "[ . 1 . 2]" 1
406 1 41 ALA MB 1 42 HIS HA . . 4.690 3.874 3.496 4.048 . 0 0 "[ . 1 . 2]" 1
407 1 41 ALA MB 1 42 HIS HD2 . . 4.470 2.894 2.257 4.386 . 0 0 "[ . 1 . 2]" 1
408 1 41 ALA MB 1 46 LEU HB3 . . 3.300 3.698 3.253 3.984 0.684 14 6 "[ * - ** +. *2]" 1
409 1 41 ALA MB 1 47 SER H . . 5.050 3.738 3.318 4.166 . 0 0 "[ . 1 . 2]" 1
410 1 41 ALA MB 1 47 SER HA . . 4.010 2.685 2.167 3.412 . 0 0 "[ . 1 . 2]" 1
411 1 41 ALA MB 1 48 GLU H . . 4.280 3.290 2.863 3.619 . 0 0 "[ . 1 . 2]" 1
412 1 41 ALA MB 1 48 GLU HA . . 3.420 2.879 2.195 3.503 0.083 1 0 "[ . 1 . 2]" 1
413 1 41 ALA MB 1 48 GLU HG3 . . 4.040 3.462 2.377 4.120 0.080 15 0 "[ . 1 . 2]" 1
414 1 41 ALA MB 1 49 VAL H . . 5.280 5.017 4.589 5.324 0.044 1 0 "[ . 1 . 2]" 1
415 1 41 ALA MB 1 51 VAL H . . 4.650 4.339 4.022 4.734 0.084 1 0 "[ . 1 . 2]" 1
416 1 41 ALA MB 1 51 VAL QG . . 3.210 2.299 2.032 2.908 . 0 0 "[ . 1 . 2]" 1
417 1 42 HIS H 1 42 HIS HD2 . . 4.340 2.669 2.272 3.244 . 0 0 "[ . 1 . 2]" 1
418 1 42 HIS H 1 43 ALA MB . . 4.830 4.335 3.970 4.501 . 0 0 "[ . 1 . 2]" 1
419 1 42 HIS HA 1 42 HIS HD2 . . 4.250 3.072 2.224 4.093 . 0 0 "[ . 1 . 2]" 1
420 1 42 HIS HA 1 45 LYS H . . 4.730 3.662 3.344 4.018 . 0 0 "[ . 1 . 2]" 1
421 1 43 ALA H 1 43 ALA MB . . 3.000 2.214 2.129 2.306 . 0 0 "[ . 1 . 2]" 1
422 1 43 ALA HA 1 44 LEU QD . . 4.890 4.455 3.705 4.798 . 0 0 "[ . 1 . 2]" 1
423 1 43 ALA HA 1 45 LYS H . . 5.410 4.204 3.948 4.456 . 0 0 "[ . 1 . 2]" 1
424 1 43 ALA MB 1 44 LEU H . . 3.320 2.382 1.965 2.900 . 0 0 "[ . 1 . 2]" 1
425 1 43 ALA MB 1 44 LEU QD . . 4.080 2.790 1.836 3.269 . 0 0 "[ . 1 . 2]" 1
426 1 43 ALA MB 1 44 LEU HG . . 4.050 2.968 2.245 4.167 0.117 16 0 "[ . 1 . 2]" 1
427 1 43 ALA MB 1 45 LYS H . . 5.000 4.336 4.092 4.581 . 0 0 "[ . 1 . 2]" 1
428 1 44 LEU H 1 44 LEU HB3 . . 3.910 3.593 3.352 3.715 . 0 0 "[ . 1 . 2]" 1
429 1 44 LEU H 1 44 LEU QD . . 3.860 2.948 1.805 3.454 . 0 0 "[ . 1 . 2]" 1
430 1 44 LEU H 1 44 LEU HG . . 3.450 2.738 2.190 3.546 0.096 8 0 "[ . 1 . 2]" 1
431 1 44 LEU H 1 45 LYS H . . 3.310 2.706 2.303 3.097 . 0 0 "[ . 1 . 2]" 1
432 1 44 LEU H 1 46 LEU H . . 4.540 3.858 3.183 4.570 0.030 8 0 "[ . 1 . 2]" 1
433 1 44 LEU HA 1 44 LEU QD . . 2.850 2.163 2.029 2.676 . 0 0 "[ . 1 . 2]" 1
434 1 44 LEU HA 1 44 LEU HG . . 4.140 3.207 2.278 3.605 . 0 0 "[ . 1 . 2]" 1
435 1 44 LEU HA 1 46 LEU QD . . 5.300 4.631 4.240 5.084 . 0 0 "[ . 1 . 2]" 1
436 1 44 LEU HB3 1 45 LYS H . . 5.050 4.322 4.071 4.513 . 0 0 "[ . 1 . 2]" 1
437 1 44 LEU HB3 1 46 LEU QD . . 4.360 2.829 2.273 3.444 . 0 0 "[ . 1 . 2]" 1
438 1 44 LEU QD 1 45 LYS H . . 4.740 4.333 3.756 4.516 . 0 0 "[ . 1 . 2]" 1
439 1 44 LEU QD 1 46 LEU H . . 5.500 4.668 4.143 5.183 . 0 0 "[ . 1 . 2]" 1
440 1 44 LEU QD 1 46 LEU QD . . 3.310 2.368 2.043 2.885 . 0 0 "[ . 1 . 2]" 1
441 1 44 LEU HG 1 45 LYS H . . 5.500 4.969 4.533 5.575 0.075 15 0 "[ . 1 . 2]" 1
442 1 45 LYS H 1 45 LYS HA . . 2.790 2.238 2.207 2.273 . 0 0 "[ . 1 . 2]" 1
443 1 45 LYS H 1 45 LYS HB3 . . 4.190 3.672 2.898 4.017 . 0 0 "[ . 1 . 2]" 1
444 1 45 LYS H 1 46 LEU H . . 3.190 2.731 2.345 2.998 . 0 0 "[ . 1 . 2]" 1
445 1 45 LYS HA 1 46 LEU H . . 3.060 2.728 2.336 3.120 0.060 19 0 "[ . 1 . 2]" 1
446 1 46 LEU H 1 46 LEU HB3 . . 3.500 3.618 3.576 3.636 0.136 5 0 "[ . 1 . 2]" 1
447 1 46 LEU H 1 46 LEU QD . . 4.030 3.528 3.286 3.733 . 0 0 "[ . 1 . 2]" 1
448 1 46 LEU H 1 46 LEU HG . . 3.570 3.117 2.680 3.532 . 0 0 "[ . 1 . 2]" 1
449 1 46 LEU HA 1 46 LEU QD . . 3.020 2.147 2.060 2.252 . 0 0 "[ . 1 . 2]" 1
450 1 46 LEU HA 1 46 LEU HG . . 4.060 2.794 2.417 2.971 . 0 0 "[ . 1 . 2]" 1
451 1 46 LEU HA 1 47 SER H . . 3.060 2.563 2.257 2.756 . 0 0 "[ . 1 . 2]" 1
452 1 46 LEU HA 1 50 GLN HB3 . . 4.500 4.843 4.156 5.114 0.614 6 6 "[ .+ * 1* * . * -]" 1
453 1 46 LEU HA 1 50 GLN HG3 . . 4.060 4.165 3.657 5.851 1.791 18 1 "[ . 1 . + 2]" 1
454 1 46 LEU HA 1 51 VAL QG . . 4.600 4.513 4.249 4.649 0.049 8 0 "[ . 1 . 2]" 1
455 1 46 LEU HB3 1 47 SER H . . 3.830 2.017 1.838 2.396 . 0 0 "[ . 1 . 2]" 1
456 1 46 LEU HB3 1 50 GLN HB3 . . 4.500 3.643 3.290 3.978 . 0 0 "[ . 1 . 2]" 1
457 1 46 LEU QD 1 47 SER H . . 4.020 3.027 2.680 3.168 . 0 0 "[ . 1 . 2]" 1
458 1 46 LEU QD 1 50 GLN HB3 . . 4.250 2.299 2.021 2.728 . 0 0 "[ . 1 . 2]" 1
459 1 46 LEU QD 1 50 GLN HE21 . . 4.970 3.901 3.120 4.828 . 0 0 "[ . 1 . 2]" 1
460 1 46 LEU QD 1 50 GLN HE22 . . 4.650 4.082 2.856 4.867 0.217 16 0 "[ . 1 . 2]" 1
461 1 46 LEU QD 1 51 VAL QG . . 3.560 2.232 1.994 2.641 . 0 0 "[ . 1 . 2]" 1
462 1 46 LEU HG 1 47 SER H . . 4.400 4.463 4.287 4.487 0.087 19 0 "[ . 1 . 2]" 1
463 1 47 SER H 1 47 SER HB3 . . 3.430 3.815 3.662 3.899 0.469 9 0 "[ . 1 . 2]" 1
464 1 47 SER H 1 50 GLN H . . 4.020 3.462 3.320 3.728 . 0 0 "[ . 1 . 2]" 1
465 1 47 SER H 1 50 GLN HB3 . . 3.580 3.846 3.514 4.014 0.434 18 0 "[ . 1 . 2]" 1
466 1 47 SER H 1 50 GLN HG3 . . 4.790 2.884 2.170 4.811 0.021 18 0 "[ . 1 . 2]" 1
467 1 47 SER H 1 51 VAL H . . 4.130 3.849 3.597 4.187 0.057 4 0 "[ . 1 . 2]" 1
468 1 47 SER H 1 51 VAL QG . . 5.500 3.328 2.979 3.798 . 0 0 "[ . 1 . 2]" 1
469 1 47 SER HA 1 48 GLU H . . 3.120 2.378 2.303 2.570 . 0 0 "[ . 1 . 2]" 1
470 1 47 SER HB3 1 48 GLU H . . 3.870 2.697 2.395 3.062 . 0 0 "[ . 1 . 2]" 1
471 1 47 SER HB3 1 49 VAL H . . 4.130 3.108 2.519 3.554 . 0 0 "[ . 1 . 2]" 1
472 1 47 SER HB3 1 49 VAL HB . . 4.460 3.832 2.989 4.094 . 0 0 "[ . 1 . 2]" 1
473 1 47 SER HB3 1 49 VAL MG1 . . 5.480 5.211 4.563 5.360 . 0 0 "[ . 1 . 2]" 1
474 1 47 SER HB3 1 49 VAL MG2 . . 5.500 4.348 3.597 4.835 . 0 0 "[ . 1 . 2]" 1
475 1 47 SER HB3 1 50 GLN H . . 4.770 3.968 3.351 4.395 . 0 0 "[ . 1 . 2]" 1
476 1 47 SER HB3 1 50 GLN HG3 . . 5.500 4.591 3.721 6.837 1.337 18 2 "[ . 1 .- + 2]" 1
477 1 48 GLU H 1 48 GLU HG3 . . 3.770 2.284 2.082 2.546 . 0 0 "[ . 1 . 2]" 1
478 1 48 GLU H 1 49 VAL H . . 3.390 2.860 2.664 3.047 . 0 0 "[ . 1 . 2]" 1
479 1 48 GLU H 1 49 VAL HB . . 5.500 4.836 4.569 5.146 . 0 0 "[ . 1 . 2]" 1
480 1 48 GLU H 1 50 GLN H . . 4.560 4.521 4.379 4.626 0.066 16 0 "[ . 1 . 2]" 1
481 1 48 GLU HA 1 48 GLU HG3 . . 3.850 3.044 2.602 3.364 . 0 0 "[ . 1 . 2]" 1
482 1 48 GLU HA 1 51 VAL H . . 4.170 3.588 3.359 3.765 . 0 0 "[ . 1 . 2]" 1
483 1 48 GLU HA 1 51 VAL HB . . 3.500 2.963 2.688 3.216 . 0 0 "[ . 1 . 2]" 1
484 1 48 GLU HA 1 51 VAL QG . . 3.970 3.102 2.463 3.450 . 0 0 "[ . 1 . 2]" 1
485 1 48 GLU HA 1 52 LYS H . . 4.640 3.918 3.637 4.232 . 0 0 "[ . 1 . 2]" 1
486 1 49 VAL H 1 49 VAL HB . . 2.750 2.244 2.149 2.350 . 0 0 "[ . 1 . 2]" 1
487 1 49 VAL H 1 49 VAL MG2 . . 3.250 2.507 2.286 2.670 . 0 0 "[ . 1 . 2]" 1
488 1 49 VAL H 1 50 GLN H . . 3.250 2.572 2.371 2.725 . 0 0 "[ . 1 . 2]" 1
489 1 49 VAL H 1 50 GLN HG3 . . 5.500 5.039 3.986 6.185 0.685 16 1 "[ . 1 .+ 2]" 1
490 1 49 VAL H 1 51 VAL H . . 3.800 3.882 3.858 3.889 0.089 5 0 "[ . 1 . 2]" 1
491 1 49 VAL H 1 52 LYS HB3 . . 5.500 4.762 4.521 4.996 . 0 0 "[ . 1 . 2]" 1
492 1 49 VAL HA 1 49 VAL MG1 . . 3.410 2.587 2.492 2.641 . 0 0 "[ . 1 . 2]" 1
493 1 49 VAL HA 1 49 VAL MG2 . . 3.140 2.235 2.153 2.285 . 0 0 "[ . 1 . 2]" 1
494 1 49 VAL HA 1 52 LYS H . . 4.250 3.428 2.973 3.592 . 0 0 "[ . 1 . 2]" 1
495 1 49 VAL HA 1 52 LYS HB3 . . 3.740 2.328 2.092 2.680 . 0 0 "[ . 1 . 2]" 1
496 1 49 VAL HA 1 53 ILE H . . 5.170 3.693 3.522 3.822 . 0 0 "[ . 1 . 2]" 1
497 1 49 VAL HB 1 50 GLN H . . 3.640 2.698 2.447 2.990 . 0 0 "[ . 1 . 2]" 1
498 1 49 VAL MG1 1 50 GLN H . . 3.600 3.173 2.876 3.445 . 0 0 "[ . 1 . 2]" 1
499 1 49 VAL MG1 1 50 GLN HA . . 4.010 3.304 3.063 3.563 . 0 0 "[ . 1 . 2]" 1
500 1 49 VAL MG1 1 50 GLN HE21 . . 5.500 4.938 3.645 5.891 0.391 14 0 "[ . 1 . 2]" 1
501 1 49 VAL MG1 1 50 GLN HG3 . . 5.010 4.595 3.989 5.097 0.087 13 0 "[ . 1 . 2]" 1
502 1 49 VAL MG1 1 52 LYS H . . 5.040 4.902 4.503 5.090 0.050 2 0 "[ . 1 . 2]" 1
503 1 49 VAL MG1 1 53 ILE H . . 4.040 3.904 3.538 4.100 0.060 10 0 "[ . 1 . 2]" 1
504 1 49 VAL MG1 1 53 ILE MD . . 2.890 2.024 1.943 2.102 . 0 0 "[ . 1 . 2]" 1
505 1 49 VAL MG1 1 53 ILE HG13 . . 3.700 2.691 2.361 2.833 . 0 0 "[ . 1 . 2]" 1
506 1 49 VAL MG2 1 50 GLN H . . 4.190 4.049 3.940 4.177 . 0 0 "[ . 1 . 2]" 1
507 1 49 VAL MG2 1 53 ILE HG13 . . 4.250 4.341 4.308 4.360 0.110 4 0 "[ . 1 . 2]" 1
508 1 50 GLN H 1 50 GLN HB3 . . 3.390 3.556 3.463 3.575 0.185 15 0 "[ . 1 . 2]" 1
509 1 50 GLN H 1 50 GLN HG3 . . 3.660 2.962 2.025 3.745 0.085 16 0 "[ . 1 . 2]" 1
510 1 50 GLN H 1 53 ILE MD . . 4.950 4.654 4.393 4.866 . 0 0 "[ . 1 . 2]" 1
511 1 50 GLN HA 1 50 GLN HE21 . . 5.010 3.602 1.930 5.097 0.087 10 0 "[ . 1 . 2]" 1
512 1 50 GLN HA 1 51 VAL H . . 3.560 3.575 3.475 3.611 0.051 1 0 "[ . 1 . 2]" 1
513 1 50 GLN HA 1 52 LYS H . . 5.100 4.697 4.222 4.889 . 0 0 "[ . 1 . 2]" 1
514 1 50 GLN HA 1 53 ILE H . . 4.260 3.735 3.528 3.935 . 0 0 "[ . 1 . 2]" 1
515 1 50 GLN HA 1 53 ILE HB . . 3.810 3.039 2.747 3.477 . 0 0 "[ . 1 . 2]" 1
516 1 50 GLN HA 1 53 ILE MD . . 4.180 3.314 2.963 3.613 . 0 0 "[ . 1 . 2]" 1
517 1 50 GLN HA 1 53 ILE HG13 . . 5.500 4.263 4.042 4.341 . 0 0 "[ . 1 . 2]" 1
518 1 50 GLN HA 1 53 ILE MG . . 4.650 4.332 4.065 4.747 0.097 10 0 "[ . 1 . 2]" 1
519 1 50 GLN HA 1 54 TRP H . . 4.360 4.002 3.638 4.354 . 0 0 "[ . 1 . 2]" 1
520 1 50 GLN HB3 1 51 VAL H . . 3.160 3.733 3.533 4.164 1.004 10 15 "[* ***** *+ * **** *-]" 1
521 1 50 GLN HB3 1 51 VAL HA . . 5.500 4.477 4.299 4.775 . 0 0 "[ . 1 . 2]" 1
522 1 50 GLN HB3 1 51 VAL QG . . 4.680 4.112 3.677 4.378 . 0 0 "[ . 1 . 2]" 1
523 1 51 VAL H 1 51 VAL HB . . 3.140 2.606 2.443 2.763 . 0 0 "[ . 1 . 2]" 1
524 1 51 VAL H 1 51 VAL QG . . 3.120 2.202 2.055 2.488 . 0 0 "[ . 1 . 2]" 1
525 1 51 VAL H 1 52 LYS H . . 3.310 2.608 2.281 2.697 . 0 0 "[ . 1 . 2]" 1
526 1 51 VAL H 1 52 LYS HB3 . . 4.970 4.511 4.175 4.905 . 0 0 "[ . 1 . 2]" 1
527 1 51 VAL H 1 53 ILE H . . 4.660 4.305 4.110 4.479 . 0 0 "[ . 1 . 2]" 1
528 1 51 VAL HA 1 51 VAL QG . . 2.920 2.147 2.076 2.189 . 0 0 "[ . 1 . 2]" 1
529 1 51 VAL HB 1 52 LYS H . . 3.590 2.576 2.287 3.464 . 0 0 "[ . 1 . 2]" 1
530 1 51 VAL QG 1 52 LYS H . . 4.130 3.253 3.051 3.694 . 0 0 "[ . 1 . 2]" 1
531 1 51 VAL QG 1 52 LYS HA . . 4.950 3.677 3.305 4.251 . 0 0 "[ . 1 . 2]" 1
532 1 51 VAL QG 1 54 TRP HB3 . . 5.500 4.041 3.721 4.416 . 0 0 "[ . 1 . 2]" 1
533 1 51 VAL QG 1 54 TRP HE3 . . 5.410 4.526 3.959 5.036 . 0 0 "[ . 1 . 2]" 1
534 1 51 VAL QG 1 55 PHE H . . 5.100 3.977 3.790 4.158 . 0 0 "[ . 1 . 2]" 1
535 1 51 VAL QG 1 55 PHE HA . . 5.500 5.277 5.106 5.467 . 0 0 "[ . 1 . 2]" 1
536 1 51 VAL QG 1 55 PHE HB3 . . 5.500 4.782 4.559 5.098 . 0 0 "[ . 1 . 2]" 1
537 1 51 VAL QG 1 55 PHE QD . . 3.380 2.630 2.283 3.009 . 0 0 "[ . 1 . 2]" 1
538 1 51 VAL QG 1 55 PHE HE1 . . 3.800 2.490 2.142 3.242 . 0 0 "[ . 1 . 2]" 1
539 1 52 LYS H 1 52 LYS HB3 . . 3.420 2.357 2.142 2.607 . 0 0 "[ . 1 . 2]" 1
540 1 52 LYS H 1 52 LYS HD3 . . 5.020 4.666 4.364 5.918 0.898 19 1 "[ . 1 . +2]" 1
541 1 52 LYS H 1 52 LYS HG3 . . 4.970 4.486 4.361 4.610 . 0 0 "[ . 1 . 2]" 1
542 1 52 LYS H 1 53 ILE H . . 3.350 2.966 2.666 3.080 . 0 0 "[ . 1 . 2]" 1
543 1 52 LYS HA 1 52 LYS HG3 . . 3.730 2.807 2.400 3.583 . 0 0 "[ . 1 . 2]" 1
544 1 52 LYS HA 1 55 PHE H . . 4.780 3.873 3.646 4.151 . 0 0 "[ . 1 . 2]" 1
545 1 52 LYS HA 1 55 PHE HB3 . . 4.790 4.467 4.123 4.850 0.060 15 0 "[ . 1 . 2]" 1
546 1 52 LYS HA 1 55 PHE QD . . 4.610 4.460 4.102 4.698 0.088 4 0 "[ . 1 . 2]" 1
547 1 52 LYS HA 1 56 GLN H . . 4.830 3.942 3.794 4.132 . 0 0 "[ . 1 . 2]" 1
548 1 52 LYS HB3 1 53 ILE H . . 4.090 2.558 2.428 2.782 . 0 0 "[ . 1 . 2]" 1
549 1 52 LYS HG3 1 53 ILE H . . 4.990 4.447 3.968 5.042 0.052 19 0 "[ . 1 . 2]" 1
550 1 52 LYS HG3 1 53 ILE HA . . 4.940 4.800 4.162 5.840 0.900 19 2 "[- . 1 . +2]" 1
551 1 52 LYS HG3 1 56 GLN HE22 . . 5.500 5.334 4.226 5.577 0.077 18 0 "[ . 1 . 2]" 1
552 1 53 ILE H 1 53 ILE HB . . 3.140 2.387 2.266 2.485 . 0 0 "[ . 1 . 2]" 1
553 1 53 ILE H 1 53 ILE MD . . 4.050 3.560 3.456 3.658 . 0 0 "[ . 1 . 2]" 1
554 1 53 ILE H 1 53 ILE HG13 . . 3.700 2.216 2.055 2.300 . 0 0 "[ . 1 . 2]" 1
555 1 53 ILE H 1 53 ILE MG . . 3.850 3.752 3.704 3.780 . 0 0 "[ . 1 . 2]" 1
556 1 53 ILE H 1 54 TRP H . . 3.590 2.852 2.724 3.048 . 0 0 "[ . 1 . 2]" 1
557 1 53 ILE HA 1 53 ILE MD . . 3.830 3.854 3.788 3.928 0.098 9 0 "[ . 1 . 2]" 1
558 1 53 ILE HA 1 53 ILE HG13 . . 3.530 2.967 2.875 3.138 . 0 0 "[ . 1 . 2]" 1
559 1 53 ILE HA 1 53 ILE MG . . 3.180 2.534 2.428 2.617 . 0 0 "[ . 1 . 2]" 1
560 1 53 ILE HA 1 56 GLN H . . 4.080 3.472 3.304 3.624 . 0 0 "[ . 1 . 2]" 1
561 1 53 ILE HA 1 56 GLN HB3 . . 3.610 3.680 3.583 3.695 0.085 3 0 "[ . 1 . 2]" 1
562 1 53 ILE HA 1 56 GLN HE22 . . 5.230 4.549 3.408 5.316 0.086 14 0 "[ . 1 . 2]" 1
563 1 53 ILE HA 1 56 GLN HG3 . . 4.660 3.354 2.491 3.833 . 0 0 "[ . 1 . 2]" 1
564 1 53 ILE HB 1 53 ILE MD . . 3.470 2.448 2.363 2.514 . 0 0 "[ . 1 . 2]" 1
565 1 53 ILE HB 1 54 TRP H . . 3.540 2.679 2.521 2.804 . 0 0 "[ . 1 . 2]" 1
566 1 53 ILE HB 1 54 TRP HA . . 5.040 4.536 4.319 4.680 . 0 0 "[ . 1 . 2]" 1
567 1 53 ILE MD 1 53 ILE MG . . 3.200 2.062 2.045 2.085 . 0 0 "[ . 1 . 2]" 1
568 1 53 ILE MD 1 54 TRP H . . 5.020 4.707 4.461 4.849 . 0 0 "[ . 1 . 2]" 1
569 1 53 ILE MD 1 56 GLN HE21 . . 5.500 5.069 4.469 5.586 0.086 8 0 "[ . 1 . 2]" 1
570 1 53 ILE HG13 1 53 ILE MG . . 3.370 3.255 3.224 3.279 . 0 0 "[ . 1 . 2]" 1
571 1 53 ILE HG13 1 54 TRP H . . 5.310 4.510 4.428 4.597 . 0 0 "[ . 1 . 2]" 1
572 1 53 ILE HG13 1 56 GLN HE21 . . 5.500 4.607 3.741 5.556 0.056 14 0 "[ . 1 . 2]" 1
573 1 53 ILE MG 1 54 TRP H . . 3.940 3.308 2.986 3.543 . 0 0 "[ . 1 . 2]" 1
574 1 53 ILE MG 1 54 TRP HA . . 4.140 3.377 3.150 3.649 . 0 0 "[ . 1 . 2]" 1
575 1 53 ILE MG 1 56 GLN H . . 5.370 4.826 4.625 5.057 . 0 0 "[ . 1 . 2]" 1
576 1 53 ILE MG 1 56 GLN HG3 . . 5.500 5.253 4.491 5.590 0.090 9 0 "[ . 1 . 2]" 1
577 1 53 ILE MG 1 57 ASN H . . 4.690 4.197 3.965 4.382 . 0 0 "[ . 1 . 2]" 1
578 1 53 ILE MG 1 57 ASN HB3 . . 5.370 5.222 4.847 5.458 0.088 16 0 "[ . 1 . 2]" 1
579 1 53 ILE MG 1 57 ASN HD21 . . 3.810 2.669 2.238 3.135 . 0 0 "[ . 1 . 2]" 1
580 1 53 ILE MG 1 57 ASN HD22 . . 3.610 3.012 2.270 3.703 0.093 2 0 "[ . 1 . 2]" 1
581 1 54 TRP H 1 54 TRP HB3 . . 3.390 2.687 2.487 2.809 . 0 0 "[ . 1 . 2]" 1
582 1 54 TRP H 1 54 TRP HD1 . . 4.910 4.806 4.576 4.962 0.052 16 0 "[ . 1 . 2]" 1
583 1 54 TRP H 1 55 PHE H . . 3.540 2.858 2.700 3.047 . 0 0 "[ . 1 . 2]" 1
584 1 54 TRP H 1 55 PHE QD . . 4.890 4.461 4.132 4.735 . 0 0 "[ . 1 . 2]" 1
585 1 54 TRP HA 1 54 TRP HD1 . . 3.760 3.263 2.960 3.403 . 0 0 "[ . 1 . 2]" 1
586 1 54 TRP HA 1 54 TRP HE1 . . 5.010 5.049 4.983 5.080 0.070 12 0 "[ . 1 . 2]" 1
587 1 54 TRP HA 1 57 ASN HB3 . . 4.420 4.302 3.458 4.487 0.067 4 0 "[ . 1 . 2]" 1
588 1 54 TRP HA 1 57 ASN HD21 . . 4.700 3.217 2.746 3.946 . 0 0 "[ . 1 . 2]" 1
589 1 54 TRP HA 1 57 ASN HD22 . . 5.290 4.794 4.181 5.336 0.046 20 0 "[ . 1 . 2]" 1
590 1 54 TRP HB3 1 54 TRP HZ3 . . 4.940 5.007 4.988 5.019 0.079 11 0 "[ . 1 . 2]" 1
591 1 54 TRP HB3 1 55 PHE H . . 4.370 2.477 2.310 2.612 . 0 0 "[ . 1 . 2]" 1
592 1 54 TRP HB3 1 55 PHE QD . . 5.460 2.889 2.360 3.258 . 0 0 "[ . 1 . 2]" 1
593 1 54 TRP HE3 1 55 PHE H . . 4.340 3.024 2.816 3.257 . 0 0 "[ . 1 . 2]" 1
594 1 54 TRP HE3 1 55 PHE HA . . 3.680 2.571 2.284 2.776 . 0 0 "[ . 1 . 2]" 1
595 1 54 TRP HE3 1 55 PHE HB3 . . 4.780 4.580 4.399 4.804 0.024 17 0 "[ . 1 . 2]" 1
596 1 54 TRP HE3 1 55 PHE QD . . 3.360 2.559 2.222 2.980 . 0 0 "[ . 1 . 2]" 1
597 1 54 TRP HE3 1 56 GLN H . . 5.120 5.175 5.061 5.208 0.088 6 0 "[ . 1 . 2]" 1
598 1 54 TRP HE3 1 58 ARG HG3 . . 5.500 4.549 3.120 6.316 0.816 13 1 "[ . 1 + . 2]" 1
599 1 54 TRP HH2 1 58 ARG HD3 . . 5.500 4.238 3.023 5.325 . 0 0 "[ . 1 . 2]" 1
600 1 54 TRP HH2 1 58 ARG HG3 . . 4.310 3.620 2.668 4.871 0.561 8 2 "[ . + 1 - 2]" 1
601 1 54 TRP HZ2 1 58 ARG HD3 . . 5.500 4.583 2.863 5.578 0.078 18 0 "[ . 1 . 2]" 1
602 1 54 TRP HZ3 1 55 PHE HA . . 4.970 3.599 3.255 3.931 . 0 0 "[ . 1 . 2]" 1
603 1 54 TRP HZ3 1 55 PHE QD . . 4.950 4.011 3.519 4.483 . 0 0 "[ . 1 . 2]" 1
604 1 55 PHE H 1 55 PHE HB3 . . 3.730 3.560 3.522 3.610 . 0 0 "[ . 1 . 2]" 1
605 1 55 PHE H 1 55 PHE QD . . 3.700 2.344 2.064 2.572 . 0 0 "[ . 1 . 2]" 1
606 1 55 PHE H 1 56 GLN H . . 3.580 2.743 2.605 2.873 . 0 0 "[ . 1 . 2]" 1
607 1 55 PHE HA 1 55 PHE QD . . 3.650 3.090 3.023 3.168 . 0 0 "[ . 1 . 2]" 1
608 1 55 PHE HA 1 55 PHE HE2 . . 5.500 5.232 4.941 5.565 0.065 4 0 "[ . 1 . 2]" 1
609 1 55 PHE HA 1 58 ARG H . . 3.980 3.406 3.212 3.676 . 0 0 "[ . 1 . 2]" 1
610 1 55 PHE HA 1 58 ARG HB3 . . 3.740 3.547 2.213 3.815 0.075 14 0 "[ . 1 . 2]" 1
611 1 55 PHE HB3 1 56 GLN H . . 4.300 3.492 3.204 3.710 . 0 0 "[ . 1 . 2]" 1
612 1 56 GLN H 1 56 GLN HB3 . . 3.430 3.491 3.470 3.506 0.076 7 0 "[ . 1 . 2]" 1
613 1 56 GLN H 1 56 GLN HG3 . . 4.040 3.107 2.701 3.440 . 0 0 "[ . 1 . 2]" 1
614 1 56 GLN H 1 57 ASN H . . 3.740 2.805 2.657 3.005 . 0 0 "[ . 1 . 2]" 1
615 1 56 GLN HA 1 56 GLN HG3 . . 3.800 3.332 2.977 3.748 . 0 0 "[ . 1 . 2]" 1
616 1 56 GLN HA 1 57 ASN HA . . 4.780 4.784 4.719 4.846 0.066 15 0 "[ . 1 . 2]" 1
617 1 56 GLN HA 1 59 ARG HB3 . . 5.060 4.121 2.609 4.751 . 0 0 "[ . 1 . 2]" 1
618 1 56 GLN HA 1 60 ALA H . . 4.930 4.203 3.813 4.589 . 0 0 "[ . 1 . 2]" 1
619 1 56 GLN HB3 1 56 GLN HE22 . . 5.500 3.702 3.392 4.059 . 0 0 "[ . 1 . 2]" 1
620 1 56 GLN HB3 1 57 ASN H . . 3.700 3.347 3.031 3.732 0.032 13 0 "[ . 1 . 2]" 1
621 1 56 GLN HE22 1 56 GLN HG3 . . 4.000 3.662 3.519 3.969 . 0 0 "[ . 1 . 2]" 1
622 1 57 ASN H 1 57 ASN HB3 . . 3.350 3.400 3.046 3.436 0.086 5 0 "[ . 1 . 2]" 1
623 1 57 ASN H 1 57 ASN HD21 . . 3.640 3.476 2.408 3.710 0.070 5 0 "[ . 1 . 2]" 1
624 1 57 ASN H 1 57 ASN HD22 . . 4.910 4.572 4.055 4.992 0.082 15 0 "[ . 1 . 2]" 1
625 1 57 ASN HA 1 57 ASN HD21 . . 4.850 4.133 3.414 4.518 . 0 0 "[ . 1 . 2]" 1
626 1 57 ASN HA 1 60 ALA H . . 3.840 3.485 3.153 3.770 . 0 0 "[ . 1 . 2]" 1
627 1 57 ASN HA 1 60 ALA MB . . 3.250 2.806 2.314 3.131 . 0 0 "[ . 1 . 2]" 1
628 1 57 ASN HA 1 61 LYS H . . 4.770 4.424 3.901 4.842 0.072 19 0 "[ . 1 . 2]" 1
629 1 57 ASN HB3 1 58 ARG H . . 4.260 3.169 2.536 3.637 . 0 0 "[ . 1 . 2]" 1
630 1 57 ASN HB3 1 60 ALA MB . . 5.300 4.614 4.153 4.998 . 0 0 "[ . 1 . 2]" 1
631 1 58 ARG H 1 58 ARG HB3 . . 3.640 3.298 2.376 3.531 . 0 0 "[ . 1 . 2]" 1
632 1 58 ARG H 1 58 ARG HD3 . . 5.500 4.428 3.212 5.165 . 0 0 "[ . 1 . 2]" 1
633 1 58 ARG H 1 58 ARG HG3 . . 5.500 3.931 3.264 4.487 . 0 0 "[ . 1 . 2]" 1
634 1 58 ARG H 1 60 ALA H . . 4.880 4.199 3.964 4.412 . 0 0 "[ . 1 . 2]" 1
635 1 58 ARG HA 1 58 ARG HD3 . . 3.500 2.919 2.201 3.726 0.226 15 0 "[ . 1 . 2]" 1
636 1 58 ARG HA 1 60 ALA H . . 5.270 4.365 3.959 4.730 . 0 0 "[ . 1 . 2]" 1
637 1 58 ARG HA 1 60 ALA MB . . 5.500 4.836 4.602 5.106 . 0 0 "[ . 1 . 2]" 1
638 1 58 ARG HA 1 61 LYS H . . 4.340 3.742 3.309 4.228 . 0 0 "[ . 1 . 2]" 1
639 1 58 ARG HA 1 62 TRP H . . 5.390 4.296 3.826 4.986 . 0 0 "[ . 1 . 2]" 1
640 1 59 ARG HA 1 62 TRP H . . 4.230 3.409 3.013 3.755 . 0 0 "[ . 1 . 2]" 1
641 1 59 ARG HA 1 62 TRP HB3 . . 4.020 2.434 2.125 2.860 . 0 0 "[ . 1 . 2]" 1
642 1 59 ARG HA 1 62 TRP HE3 . . 3.580 3.059 2.605 3.461 . 0 0 "[ . 1 . 2]" 1
643 1 59 ARG HA 1 62 TRP HZ3 . . 5.480 5.076 4.646 5.536 0.056 20 0 "[ . 1 . 2]" 1
644 1 59 ARG HB3 1 60 ALA H . . 3.960 3.486 2.773 3.819 . 0 0 "[ . 1 . 2]" 1
645 1 59 ARG HB3 1 60 ALA MB . . 5.240 4.645 4.050 4.957 . 0 0 "[ . 1 . 2]" 1
646 1 60 ALA H 1 60 ALA MB . . 2.970 2.231 2.190 2.277 . 0 0 "[ . 1 . 2]" 1
647 1 60 ALA H 1 61 LYS H . . 3.530 2.892 2.655 3.005 . 0 0 "[ . 1 . 2]" 1
648 1 60 ALA HA 1 62 TRP H . . 4.490 4.509 4.337 4.562 0.072 6 0 "[ . 1 . 2]" 1
649 1 60 ALA HA 1 63 LYS H . . 4.240 3.552 3.333 3.907 . 0 0 "[ . 1 . 2]" 1
650 1 60 ALA HA 1 63 LYS HG3 . . 5.500 3.237 2.650 4.194 . 0 0 "[ . 1 . 2]" 1
651 1 60 ALA MB 1 61 LYS H . . 3.490 2.360 2.202 2.606 . 0 0 "[ . 1 . 2]" 1
652 1 60 ALA MB 1 62 TRP H . . 5.280 4.508 4.403 4.655 . 0 0 "[ . 1 . 2]" 1
653 1 61 LYS H 1 61 LYS HG3 . . 4.610 4.273 2.859 4.577 . 0 0 "[ . 1 . 2]" 1
654 1 61 LYS H 1 62 TRP H . . 3.580 2.855 2.761 2.963 . 0 0 "[ . 1 . 2]" 1
655 1 61 LYS HA 1 64 ARG H . . 4.740 3.466 3.088 3.933 . 0 0 "[ . 1 . 2]" 1
656 1 61 LYS HG3 1 62 TRP H . . 5.010 4.720 2.623 5.066 0.056 18 0 "[ . 1 . 2]" 1
657 1 62 TRP H 1 62 TRP HB3 . . 3.460 2.396 2.236 2.564 . 0 0 "[ . 1 . 2]" 1
658 1 62 TRP H 1 63 LYS H . . 3.950 2.868 2.656 2.995 . 0 0 "[ . 1 . 2]" 1
659 1 62 TRP HA 1 62 TRP HD1 . . 3.440 2.824 2.622 3.019 . 0 0 "[ . 1 . 2]" 1
660 1 62 TRP HA 1 62 TRP HE1 . . 5.230 5.085 4.912 5.256 0.026 8 0 "[ . 1 . 2]" 1
661 1 62 TRP HA 1 65 ILE HB . . 4.360 2.729 2.045 3.143 . 0 0 "[ . 1 . 2]" 1
662 1 62 TRP HA 1 65 ILE MD . . 4.250 2.697 2.146 3.686 . 0 0 "[ . 1 . 2]" 1
663 1 62 TRP HA 1 65 ILE HG13 . . 5.500 3.555 2.589 4.337 . 0 0 "[ . 1 . 2]" 1
664 1 62 TRP HB3 1 62 TRP HD1 . . 3.860 3.878 3.829 3.900 0.040 13 0 "[ . 1 . 2]" 1
665 1 62 TRP HB3 1 62 TRP HE3 . . 3.940 2.449 2.287 2.507 . 0 0 "[ . 1 . 2]" 1
666 1 62 TRP HB3 1 63 LYS H . . 4.320 2.775 2.424 3.077 . 0 0 "[ . 1 . 2]" 1
667 1 62 TRP HD1 1 65 ILE MD . . 5.110 4.028 3.021 5.187 0.077 5 0 "[ . 1 . 2]" 1
668 1 62 TRP HE3 1 63 LYS H . . 4.120 3.501 3.179 3.977 . 0 0 "[ . 1 . 2]" 1
669 1 62 TRP HE3 1 63 LYS HG3 . . 4.130 3.658 2.670 4.208 0.078 16 0 "[ . 1 . 2]" 1
670 1 63 LYS H 1 63 LYS HG3 . . 3.990 2.960 2.307 3.597 . 0 0 "[ . 1 . 2]" 1
671 1 63 LYS H 1 64 ARG H . . 3.640 2.815 2.530 2.945 . 0 0 "[ . 1 . 2]" 1
672 1 63 LYS H 1 66 LYS H . . 4.930 4.883 4.683 5.007 0.077 18 0 "[ . 1 . 2]" 1
673 1 63 LYS HA 1 63 LYS HG3 . . 4.220 3.556 3.134 3.810 . 0 0 "[ . 1 . 2]" 1
674 1 63 LYS HA 1 64 ARG HA . . 5.090 4.683 4.488 4.779 . 0 0 "[ . 1 . 2]" 1
675 1 63 LYS HA 1 66 LYS H . . 4.360 3.514 3.095 3.738 . 0 0 "[ . 1 . 2]" 1
676 1 64 ARG H 1 64 ARG HG3 . . 4.050 3.486 2.273 4.119 0.069 17 0 "[ . 1 . 2]" 1
677 1 64 ARG H 1 65 ILE H . . 3.360 2.485 1.974 2.680 . 0 0 "[ . 1 . 2]" 1
678 1 64 ARG H 1 65 ILE HA . . 5.060 5.110 4.794 5.150 0.090 6 0 "[ . 1 . 2]" 1
679 1 64 ARG H 1 66 LYS H . . 5.010 4.297 4.089 4.701 . 0 0 "[ . 1 . 2]" 1
680 1 64 ARG HA 1 64 ARG HG3 . . 3.770 3.496 2.468 3.821 0.051 20 0 "[ . 1 . 2]" 1
681 1 64 ARG HA 1 65 ILE H . . 3.230 3.301 3.254 3.327 0.097 9 0 "[ . 1 . 2]" 1
682 1 65 ILE H 1 65 ILE HB . . 2.820 2.565 2.245 2.728 . 0 0 "[ . 1 . 2]" 1
683 1 65 ILE H 1 65 ILE MD . . 4.290 3.853 3.506 4.155 . 0 0 "[ . 1 . 2]" 1
684 1 65 ILE H 1 65 ILE HG13 . . 3.810 2.668 2.395 2.901 . 0 0 "[ . 1 . 2]" 1
685 1 65 ILE H 1 65 ILE MG . . 3.850 3.852 3.665 3.909 0.059 17 0 "[ . 1 . 2]" 1
686 1 65 ILE H 1 66 LYS H . . 3.150 2.279 1.972 2.750 . 0 0 "[ . 1 . 2]" 1
687 1 65 ILE HA 1 65 ILE MD . . 3.910 3.874 3.800 3.977 0.067 2 0 "[ . 1 . 2]" 1
688 1 65 ILE HA 1 65 ILE HG13 . . 3.530 2.982 2.772 3.262 . 0 0 "[ . 1 . 2]" 1
689 1 65 ILE HA 1 65 ILE MG . . 3.290 2.446 2.317 2.657 . 0 0 "[ . 1 . 2]" 1
690 1 65 ILE HA 1 66 LYS H . . 3.510 3.572 3.549 3.585 0.075 11 0 "[ . 1 . 2]" 1
691 1 65 ILE HA 1 67 ALA H . . 5.070 4.635 3.903 5.149 0.079 11 0 "[ . 1 . 2]" 1
692 1 65 ILE HB 1 65 ILE MD . . 3.500 2.411 2.289 2.537 . 0 0 "[ . 1 . 2]" 1
693 1 65 ILE HB 1 66 LYS H . . 3.410 2.635 2.217 3.221 . 0 0 "[ . 1 . 2]" 1
694 1 65 ILE MD 1 66 LYS H . . 5.500 4.588 4.076 5.135 . 0 0 "[ . 1 . 2]" 1
695 1 65 ILE HG13 1 65 ILE MG . . 3.350 3.245 3.220 3.301 . 0 0 "[ . 1 . 2]" 1
696 1 65 ILE MG 1 66 LYS H . . 3.800 3.403 2.838 3.867 0.067 5 0 "[ . 1 . 2]" 1
697 1 65 ILE MG 1 66 LYS HA . . 4.320 3.378 2.476 3.751 . 0 0 "[ . 1 . 2]" 1
698 1 65 ILE MG 1 67 ALA H . . 5.500 4.755 3.711 5.494 . 0 0 "[ . 1 . 2]" 1
699 1 65 ILE MG 1 68 GLY H . . 5.370 5.205 4.436 5.492 0.122 11 0 "[ . 1 . 2]" 1
700 1 66 LYS H 1 66 LYS HB3 . . 3.600 2.330 2.064 2.638 . 0 0 "[ . 1 . 2]" 1
701 1 66 LYS HA 1 67 ALA H . . 3.420 3.055 2.026 3.496 0.076 10 0 "[ . 1 . 2]" 1
702 1 66 LYS HA 1 68 GLY H . . 4.550 4.110 3.212 4.639 0.089 5 0 "[ . 1 . 2]" 1
703 1 66 LYS HB3 1 67 ALA H . . 4.330 3.930 2.167 4.500 0.170 14 0 "[ . 1 . 2]" 1
704 1 67 ALA H 1 67 ALA MB . . 3.270 2.561 2.086 3.109 . 0 0 "[ . 1 . 2]" 1
705 1 67 ALA H 1 68 GLY H . . 3.380 2.545 1.756 3.464 0.084 2 0 "[ . 1 . 2]" 1
706 1 67 ALA HA 1 68 GLY H . . 3.520 3.169 2.414 3.555 0.035 14 0 "[ . 1 . 2]" 1
707 1 67 ALA MB 1 68 GLY H . . 4.240 3.266 2.544 3.791 . 0 0 "[ . 1 . 2]" 1
708 1 67 ALA MB 1 68 GLY HA2 . . 5.430 4.410 3.971 5.101 . 0 0 "[ . 1 . 2]" 1
709 1 67 ALA MB 1 69 ASN H . . 5.100 4.721 3.505 5.210 0.110 20 0 "[ . 1 . 2]" 1
710 1 69 ASN H 1 69 ASN HB3 . . 3.670 3.613 2.710 4.011 0.341 9 0 "[ . 1 . 2]" 1
711 1 69 ASN H 1 70 VAL H . . 4.020 3.447 1.996 4.102 0.082 11 0 "[ . 1 . 2]" 1
712 1 69 ASN HA 1 70 VAL H . . 3.060 2.468 1.997 3.139 0.079 20 0 "[ . 1 . 2]" 1
713 1 69 ASN HB3 1 70 VAL H . . 4.930 3.940 3.258 4.302 . 0 0 "[ . 1 . 2]" 1
714 1 69 ASN HB3 1 71 SER H . . 5.200 3.886 2.988 5.068 . 0 0 "[ . 1 . 2]" 1
715 1 70 VAL H 1 70 VAL HB . . 3.820 3.114 2.329 3.889 0.069 7 0 "[ . 1 . 2]" 1
716 1 70 VAL H 1 70 VAL MG2 . . 4.030 3.124 2.009 4.102 0.072 20 0 "[ . 1 . 2]" 1
717 1 70 VAL H 1 71 SER H . . 3.570 2.556 1.972 3.633 0.063 17 0 "[ . 1 . 2]" 1
718 1 70 VAL HA 1 71 SER H . . 3.270 2.986 2.368 3.359 0.089 15 0 "[ . 1 . 2]" 1
719 1 70 VAL HB 1 71 SER H . . 4.590 4.360 3.240 4.627 0.037 20 0 "[ . 1 . 2]" 1
720 1 70 VAL MG1 1 71 SER H . . 5.290 3.775 2.619 4.408 . 0 0 "[ . 1 . 2]" 1
721 1 70 VAL MG2 1 71 SER H . . 4.690 4.079 3.174 4.434 . 0 0 "[ . 1 . 2]" 1
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