NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567370 |
2mdz   |
19510 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mdz
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 650
_Distance_constraint_stats_list.Viol_count 1773
_Distance_constraint_stats_list.Viol_total 4715.972
_Distance_constraint_stats_list.Viol_max 1.633
_Distance_constraint_stats_list.Viol_rms 0.0857
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0181
_Distance_constraint_stats_list.Viol_average_violations_only 0.1330
_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 4 PHE 0.741 0.088 16 0 "[ . 1 . 2]"
1 7 ARG 0.155 0.069 4 0 "[ . 1 . 2]"
1 8 GLU 0.421 0.072 20 0 "[ . 1 . 2]"
1 9 ARG 2.873 0.589 10 3 "[ - * + . 2]"
1 10 ALA 4.935 0.589 10 3 "[ - * + . 2]"
1 11 HIS 4.214 0.115 18 0 "[ . 1 . 2]"
1 12 GLU 0.413 0.098 20 0 "[ . 1 . 2]"
1 13 ALA 0.745 0.093 17 0 "[ . 1 . 2]"
1 14 LYS 1.373 0.093 17 0 "[ . 1 . 2]"
1 15 PHE 6.591 0.257 18 0 "[ . 1 . 2]"
1 16 ALA 7.212 0.796 14 7 "[* *.* ** +. -2]"
1 17 HIS 6.515 0.796 14 7 "[* *.* ** +. -2]"
1 18 ASP 0.781 0.090 7 0 "[ . 1 . 2]"
1 19 ALA 0.580 0.097 12 0 "[ . 1 . 2]"
1 20 GLU 0.219 0.068 7 0 "[ . 1 . 2]"
1 21 LEU 8.529 0.375 9 0 "[ . 1 . 2]"
1 22 ASN 3.508 0.135 18 0 "[ . 1 . 2]"
1 23 PHE 0.178 0.086 6 0 "[ . 1 . 2]"
1 24 LYS 3.148 0.295 20 0 "[ . 1 . 2]"
1 25 ALA 4.328 0.118 18 0 "[ . 1 . 2]"
1 26 GLU 0.131 0.071 3 0 "[ . 1 . 2]"
1 27 ALA 1.523 0.094 13 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ARG 1.180 0.151 16 0 "[ . 1 . 2]"
1 30 ASN 1.010 0.086 11 0 "[ . 1 . 2]"
1 31 ARG 0.319 0.068 18 0 "[ . 1 . 2]"
1 32 LEU 2.612 0.259 7 0 "[ . 1 . 2]"
1 33 LEU 3.686 0.259 7 0 "[ . 1 . 2]"
1 34 GLY 1.139 0.108 12 0 "[ . 1 . 2]"
1 35 GLU 1.206 0.260 15 0 "[ . 1 . 2]"
1 36 TRP 4.204 0.464 17 0 "[ . 1 . 2]"
1 37 ALA 4.185 0.132 11 0 "[ . 1 . 2]"
1 38 ALA 1.322 0.808 7 1 "[ . + 1 . 2]"
1 39 GLY 0.240 0.055 15 0 "[ . 1 . 2]"
1 40 LEU 2.676 0.098 6 0 "[ . 1 . 2]"
1 41 LEU 2.601 0.645 10 1 "[ . + . 2]"
1 42 GLY 2.560 0.179 7 0 "[ . 1 . 2]"
1 43 LYS 4.922 0.808 7 2 "[ . + -1 . 2]"
1 44 THR 3.955 0.110 9 0 "[ . 1 . 2]"
1 45 GLY 2.587 0.083 15 0 "[ . 1 . 2]"
1 46 ASP 10.140 1.181 7 10 "[ * . +**1* *** -* 2]"
1 47 ASP 4.787 0.608 4 5 "[ * +. * -.* 2]"
1 48 ALA 4.119 0.742 7 1 "[ . + 1 . 2]"
1 49 ARG 21.594 1.181 7 12 "[ * * +**-* *** ** 2]"
1 50 ALA 1.341 0.092 13 0 "[ . 1 . 2]"
1 51 TYR 5.778 0.132 11 0 "[ . 1 . 2]"
1 52 ALA 4.742 0.750 7 1 "[ . + 1 . 2]"
1 53 LEU 30.138 1.274 19 19 "[****-******* *****+*]"
1 54 THR 19.326 1.274 19 14 "[** **** *1* ***-*+2]"
1 55 VAL 8.895 0.750 7 1 "[ . + 1 . 2]"
1 56 VAL 2.397 0.096 19 0 "[ . 1 . 2]"
1 57 THR 1.750 0.091 15 0 "[ . 1 . 2]"
1 58 SER 0.301 0.072 7 0 "[ . 1 . 2]"
1 59 ASP 0.386 0.085 2 0 "[ . 1 . 2]"
1 60 PHE 2.347 0.107 1 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.203 0.080 15 0 "[ . 1 . 2]"
1 67 ASP 1.367 0.332 7 0 "[ . 1 . 2]"
1 68 VAL 0.380 0.103 16 0 "[ . 1 . 2]"
1 69 PHE 2.426 0.117 12 0 "[ . 1 . 2]"
1 70 ARG 1.880 0.332 7 0 "[ . 1 . 2]"
1 71 LYS 16.348 0.872 10 18 "[*******- +*** ******]"
1 72 LEU 7.441 1.155 10 5 "[ * . *- + * . 2]"
1 73 ALA 4.260 0.774 14 2 "[ . 1 +. - 2]"
1 74 ALA 0.119 0.088 4 0 "[ . 1 . 2]"
1 75 ASP 1.124 0.645 10 1 "[ . + . 2]"
1 76 LEU 1.064 0.078 14 0 "[ . 1 . 2]"
1 77 GLU 4.778 0.473 13 0 "[ . 1 . 2]"
1 78 GLY 4.377 0.473 13 0 "[ . 1 . 2]"
1 79 LYS 0.063 0.057 11 0 "[ . 1 . 2]"
1 80 ALA 0.287 0.088 8 0 "[ . 1 . 2]"
1 81 ASP 1.600 0.083 19 0 "[ . 1 . 2]"
1 82 GLU 4.529 0.774 14 2 "[ . 1 +. - 2]"
1 83 GLU 6.648 0.837 15 7 "[- . *1* +* **]"
1 84 THR 1.374 0.100 8 0 "[ . 1 . 2]"
1 85 ILE 9.671 1.155 10 3 "[ * . + - . 2]"
1 86 ARG 2.431 0.092 8 0 "[ . 1 . 2]"
1 87 ALA 2.455 0.108 15 0 "[ . 1 . 2]"
1 88 LYS 1.549 0.080 9 0 "[ . 1 . 2]"
1 89 MET 1.755 0.103 16 0 "[ . 1 . 2]"
1 90 VAL 2.012 0.108 15 0 "[ . 1 . 2]"
1 91 GLU 0.783 0.096 8 0 "[ . 1 . 2]"
1 92 LEU 3.865 0.464 17 0 "[ . 1 . 2]"
1 93 ARG 1.221 0.095 1 0 "[ . 1 . 2]"
1 94 ALA 0.037 0.037 11 0 "[ . 1 . 2]"
1 95 THR 2.416 0.239 7 0 "[ . 1 . 2]"
1 96 ALA 1.774 0.107 13 0 "[ . 1 . 2]"
1 97 ARG 0.657 0.100 16 0 "[ . 1 . 2]"
1 98 GLU 8.426 0.605 9 8 "[* *- *+* . **2]"
1 99 GLN 6.186 0.902 19 1 "[ . 1 . +2]"
1 100 ILE 16.913 1.633 10 9 "[* - * * +* * * *2]"
1 101 ILE 4.797 0.111 5 0 "[ . 1 . 2]"
1 102 SER 4.577 0.110 4 0 "[ . 1 . 2]"
1 103 GLU 26.009 1.633 10 15 "[*** *-* *+* * *** **]"
1 104 ILE 5.035 0.339 6 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 4 PHE H 1 4 PHE HA . . 2.860 2.787 2.198 2.942 0.082 9 0 "[ . 1 . 2]" 1
2 1 4 PHE H 1 4 PHE HB3 . . 3.790 3.404 2.583 3.878 0.088 16 0 "[ . 1 . 2]" 1
3 1 7 ARG HA 1 8 GLU H . . 2.770 2.426 2.142 2.839 0.069 4 0 "[ . 1 . 2]" 1
4 1 8 GLU H 1 8 GLU HB3 . . 3.520 2.973 2.072 3.592 0.072 20 0 "[ . 1 . 2]" 1
5 1 9 ARG H 1 9 ARG HG3 . . 3.560 3.076 2.287 3.924 0.364 16 0 "[ . 1 . 2]" 1
6 1 9 ARG HG3 1 10 ALA H . . 4.350 4.347 3.051 4.939 0.589 10 3 "[ - * + . 2]" 1
7 1 10 ALA H 1 10 ALA HA . . 2.910 2.602 2.182 2.986 0.076 20 0 "[ . 1 . 2]" 1
8 1 10 ALA H 1 10 ALA MB . . 3.070 2.727 2.238 3.035 . 0 0 "[ . 1 . 2]" 1
9 1 10 ALA H 1 11 HIS H . . 3.150 3.013 2.226 3.230 0.080 20 0 "[ . 1 . 2]" 1
10 1 10 ALA HA 1 11 HIS H . . 3.120 2.542 2.268 3.207 0.087 2 0 "[ . 1 . 2]" 1
11 1 10 ALA HA 1 11 HIS HD2 . . 4.210 3.975 3.182 4.278 0.068 14 0 "[ . 1 . 2]" 1
12 1 10 ALA MB 1 11 HIS H . . 3.690 3.687 3.328 3.761 0.071 16 0 "[ . 1 . 2]" 1
13 1 10 ALA MB 1 11 HIS HD2 . . 5.060 4.959 4.265 5.160 0.100 17 0 "[ . 1 . 2]" 1
14 1 11 HIS H 1 11 HIS HA . . 2.930 2.829 2.261 2.994 0.064 18 0 "[ . 1 . 2]" 1
15 1 11 HIS H 1 11 HIS HD2 . . 4.270 2.614 1.897 4.328 0.058 2 0 "[ . 1 . 2]" 1
16 1 11 HIS HA 1 11 HIS HD2 . . 4.280 4.062 3.915 4.355 0.075 2 0 "[ . 1 . 2]" 1
17 1 11 HIS HA 1 12 GLU H . . 3.320 3.129 2.548 3.418 0.098 20 0 "[ . 1 . 2]" 1
18 1 11 HIS HA 1 14 LYS HB3 . . 4.220 3.443 3.042 4.302 0.082 20 0 "[ . 1 . 2]" 1
19 1 11 HIS HA 1 15 PHE QD . . 4.250 4.210 3.732 4.365 0.115 18 0 "[ . 1 . 2]" 1
20 1 11 HIS HA 1 21 LEU MD2 . . 4.790 3.826 2.567 4.809 0.019 7 0 "[ . 1 . 2]" 1
21 1 11 HIS HD2 1 12 GLU H . . 4.110 3.177 2.037 4.193 0.083 15 0 "[ . 1 . 2]" 1
22 1 13 ALA H 1 13 ALA MB . . 3.100 2.677 2.187 2.932 . 0 0 "[ . 1 . 2]" 1
23 1 13 ALA H 1 14 LYS H . . 3.370 2.851 1.960 3.232 . 0 0 "[ . 1 . 2]" 1
24 1 13 ALA HA 1 14 LYS H . . 3.280 3.234 2.801 3.373 0.093 17 0 "[ . 1 . 2]" 1
25 1 14 LYS H 1 14 LYS HB3 . . 3.580 3.511 3.254 3.634 0.054 6 0 "[ . 1 . 2]" 1
26 1 14 LYS H 1 14 LYS HG3 . . 4.190 3.434 2.258 4.260 0.070 17 0 "[ . 1 . 2]" 1
27 1 14 LYS H 1 15 PHE H . . 3.170 2.704 2.063 3.187 0.017 13 0 "[ . 1 . 2]" 1
28 1 14 LYS HA 1 14 LYS HG3 . . 3.830 3.238 2.236 3.809 . 0 0 "[ . 1 . 2]" 1
29 1 14 LYS HA 1 17 HIS HB3 . . 3.960 3.189 2.401 4.018 0.058 15 0 "[ . 1 . 2]" 1
30 1 14 LYS HB3 1 15 PHE QD . . 5.180 4.590 3.189 5.263 0.083 8 0 "[ . 1 . 2]" 1
31 1 15 PHE H 1 15 PHE HB3 . . 3.500 3.346 3.069 3.532 0.032 17 0 "[ . 1 . 2]" 1
32 1 15 PHE H 1 15 PHE QD . . 3.780 3.024 2.552 3.767 . 0 0 "[ . 1 . 2]" 1
33 1 15 PHE H 1 16 ALA H . . 3.590 2.816 2.556 3.039 . 0 0 "[ . 1 . 2]" 1
34 1 15 PHE HA 1 15 PHE QD . . 3.310 2.521 2.120 2.998 . 0 0 "[ . 1 . 2]" 1
35 1 15 PHE HB3 1 16 ALA H . . 3.970 3.421 2.943 4.026 0.056 7 0 "[ . 1 . 2]" 1
36 1 15 PHE HB3 1 16 ALA MB . . 4.180 4.136 3.700 4.286 0.106 17 0 "[ . 1 . 2]" 1
37 1 15 PHE QD 1 21 LEU HB3 . . 4.830 3.118 2.306 4.313 . 0 0 "[ . 1 . 2]" 1
38 1 15 PHE QD 1 21 LEU MD1 . . 4.030 3.918 3.009 4.287 0.257 18 0 "[ . 1 . 2]" 1
39 1 15 PHE QD 1 21 LEU MD2 . . 5.360 4.639 2.923 5.463 0.103 7 0 "[ . 1 . 2]" 1
40 1 15 PHE QD 1 22 ASN H . . 4.870 4.786 3.968 4.986 0.116 14 0 "[ . 1 . 2]" 1
41 1 15 PHE QD 1 25 ALA MB . . 4.180 3.986 3.358 4.298 0.118 18 0 "[ . 1 . 2]" 1
42 1 15 PHE QE 1 101 ILE MD . . 3.690 2.931 1.986 3.767 0.077 4 0 "[ . 1 . 2]" 1
43 1 15 PHE QE 1 101 ILE HG13 . . 4.230 3.430 2.562 4.331 0.101 5 0 "[ . 1 . 2]" 1
44 1 15 PHE QE 1 101 ILE MG . . 5.500 5.191 4.348 5.585 0.085 20 0 "[ . 1 . 2]" 1
45 1 15 PHE HZ 1 25 ALA MB . . 3.410 2.317 1.912 3.329 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE HZ 1 97 ARG HA . . 4.980 4.643 2.741 5.060 0.080 14 0 "[ . 1 . 2]" 1
47 1 15 PHE HZ 1 100 ILE HB . . 4.410 2.801 2.206 3.356 . 0 0 "[ . 1 . 2]" 1
48 1 15 PHE HZ 1 100 ILE MD . . 4.590 4.287 3.650 4.684 0.094 2 0 "[ . 1 . 2]" 1
49 1 15 PHE HZ 1 100 ILE MG . . 3.730 2.235 1.943 2.969 . 0 0 "[ . 1 . 2]" 1
50 1 16 ALA H 1 16 ALA MB . . 2.750 2.313 2.122 2.639 . 0 0 "[ . 1 . 2]" 1
51 1 16 ALA MB 1 17 HIS H . . 4.170 3.387 2.065 3.763 . 0 0 "[ . 1 . 2]" 1
52 1 16 ALA MB 1 17 HIS HB3 . . 4.830 4.946 3.999 5.626 0.796 14 7 "[* *.* ** +. -2]" 1
53 1 16 ALA MB 1 17 HIS HD2 . . 4.660 4.339 2.683 4.766 0.106 13 0 "[ . 1 . 2]" 1
54 1 17 HIS H 1 17 HIS HB3 . . 3.410 3.126 2.594 3.509 0.099 10 0 "[ . 1 . 2]" 1
55 1 17 HIS HB3 1 18 ASP H . . 4.470 2.850 2.067 3.989 . 0 0 "[ . 1 . 2]" 1
56 1 18 ASP H 1 18 ASP HB3 . . 4.100 3.808 3.485 4.168 0.068 3 0 "[ . 1 . 2]" 1
57 1 18 ASP H 1 19 ALA H . . 4.860 4.497 3.805 4.719 . 0 0 "[ . 1 . 2]" 1
58 1 18 ASP HA 1 19 ALA H . . 3.080 2.497 2.052 2.891 . 0 0 "[ . 1 . 2]" 1
59 1 18 ASP HA 1 20 GLU H . . 4.540 4.212 3.275 4.608 0.068 7 0 "[ . 1 . 2]" 1
60 1 18 ASP HB3 1 19 ALA H . . 4.300 2.580 1.852 4.071 . 0 0 "[ . 1 . 2]" 1
61 1 18 ASP HB3 1 20 GLU H . . 4.430 2.946 2.150 3.478 . 0 0 "[ . 1 . 2]" 1
62 1 18 ASP HB3 1 21 LEU H . . 3.620 3.243 2.488 3.710 0.090 7 0 "[ . 1 . 2]" 1
63 1 19 ALA H 1 19 ALA MB . . 2.940 2.466 2.182 2.728 . 0 0 "[ . 1 . 2]" 1
64 1 19 ALA H 1 20 GLU H . . 3.280 2.201 1.596 2.917 . 0 0 "[ . 1 . 2]" 1
65 1 19 ALA HA 1 22 ASN HB3 . . 3.530 2.829 2.141 3.489 . 0 0 "[ . 1 . 2]" 1
66 1 19 ALA HA 1 22 ASN HD21 . . 4.730 4.162 3.361 4.806 0.076 17 0 "[ . 1 . 2]" 1
67 1 19 ALA MB 1 20 GLU H . . 3.740 2.713 2.361 3.472 . 0 0 "[ . 1 . 2]" 1
68 1 19 ALA MB 1 22 ASN HB3 . . 4.180 3.905 3.223 4.222 0.042 12 0 "[ . 1 . 2]" 1
69 1 19 ALA MB 1 22 ASN HD21 . . 5.500 4.962 3.724 5.597 0.097 12 0 "[ . 1 . 2]" 1
70 1 20 GLU H 1 21 LEU H . . 3.470 3.032 2.710 3.471 0.001 18 0 "[ . 1 . 2]" 1
71 1 21 LEU H 1 21 LEU HB3 . . 3.330 3.542 3.279 3.705 0.375 9 0 "[ . 1 . 2]" 1
72 1 21 LEU H 1 21 LEU MD1 . . 4.190 3.335 2.254 3.974 . 0 0 "[ . 1 . 2]" 1
73 1 21 LEU H 1 21 LEU MD2 . . 4.080 3.166 1.515 4.145 0.065 2 0 "[ . 1 . 2]" 1
74 1 21 LEU H 1 21 LEU HG . . 3.040 2.613 1.865 3.149 0.109 16 0 "[ . 1 . 2]" 1
75 1 21 LEU H 1 22 ASN H . . 3.570 2.574 2.346 2.845 . 0 0 "[ . 1 . 2]" 1
76 1 21 LEU HA 1 21 LEU MD2 . . 3.400 2.460 2.086 3.711 0.311 16 0 "[ . 1 . 2]" 1
77 1 21 LEU HB3 1 22 ASN H . . 3.780 3.733 3.342 3.915 0.135 18 0 "[ . 1 . 2]" 1
78 1 21 LEU MD1 1 22 ASN H . . 4.930 4.569 4.122 4.979 0.049 7 0 "[ . 1 . 2]" 1
79 1 21 LEU MD2 1 22 ASN H . . 4.940 4.471 3.016 4.970 0.030 6 0 "[ . 1 . 2]" 1
80 1 22 ASN H 1 22 ASN HB3 . . 3.190 2.668 2.485 2.871 . 0 0 "[ . 1 . 2]" 1
81 1 22 ASN H 1 22 ASN HD21 . . 4.630 4.630 4.285 4.716 0.086 14 0 "[ . 1 . 2]" 1
82 1 22 ASN HA 1 25 ALA H . . 4.320 3.572 3.084 3.916 . 0 0 "[ . 1 . 2]" 1
83 1 22 ASN HA 1 25 ALA MB . . 3.420 2.943 2.321 3.512 0.092 5 0 "[ . 1 . 2]" 1
84 1 22 ASN HA 1 26 GLU H . . 4.990 4.363 3.648 5.061 0.071 3 0 "[ . 1 . 2]" 1
85 1 22 ASN HB3 1 22 ASN HD22 . . 4.060 3.716 3.502 3.977 . 0 0 "[ . 1 . 2]" 1
86 1 22 ASN HB3 1 23 PHE H . . 3.760 2.632 2.231 3.066 . 0 0 "[ . 1 . 2]" 1
87 1 23 PHE HA 1 23 PHE QD . . 3.750 2.821 2.194 3.150 . 0 0 "[ . 1 . 2]" 1
88 1 23 PHE HA 1 25 ALA H . . 4.880 4.312 3.724 4.792 . 0 0 "[ . 1 . 2]" 1
89 1 23 PHE HA 1 26 GLU H . . 4.500 3.451 3.091 3.981 . 0 0 "[ . 1 . 2]" 1
90 1 23 PHE QD 1 24 LYS H . . 4.530 3.995 3.363 4.447 . 0 0 "[ . 1 . 2]" 1
91 1 23 PHE QD 1 27 ALA H . . 5.170 4.492 3.826 5.199 0.029 16 0 "[ . 1 . 2]" 1
92 1 23 PHE QD 1 27 ALA MB . . 3.970 3.106 2.272 4.056 0.086 6 0 "[ . 1 . 2]" 1
93 1 24 LYS H 1 24 LYS HB3 . . 3.270 3.055 1.882 3.565 0.295 20 0 "[ . 1 . 2]" 1
94 1 24 LYS H 1 24 LYS HG3 . . 3.960 3.410 2.728 4.043 0.083 4 0 "[ . 1 . 2]" 1
95 1 24 LYS H 1 25 ALA H . . 3.790 2.876 2.500 3.110 . 0 0 "[ . 1 . 2]" 1
96 1 24 LYS HA 1 25 ALA H . . 3.500 3.547 3.484 3.573 0.073 2 0 "[ . 1 . 2]" 1
97 1 24 LYS HA 1 27 ALA H . . 4.850 3.850 3.375 4.797 . 0 0 "[ . 1 . 2]" 1
98 1 24 LYS HB3 1 25 ALA H . . 4.020 3.443 2.735 4.097 0.077 12 0 "[ . 1 . 2]" 1
99 1 24 LYS HB3 1 100 ILE MD . . 4.420 3.314 2.187 4.509 0.089 12 0 "[ . 1 . 2]" 1
100 1 24 LYS HD3 1 100 ILE MD . . 4.180 3.538 2.613 4.253 0.073 14 0 "[ . 1 . 2]" 1
101 1 25 ALA H 1 25 ALA MB . . 3.140 2.206 2.026 2.363 . 0 0 "[ . 1 . 2]" 1
102 1 25 ALA H 1 26 GLU H . . 3.090 2.628 2.172 2.924 . 0 0 "[ . 1 . 2]" 1
103 1 25 ALA H 1 27 ALA H . . 4.760 3.984 3.510 4.628 . 0 0 "[ . 1 . 2]" 1
104 1 25 ALA H 1 100 ILE MD . . 4.370 4.208 3.970 4.452 0.082 13 0 "[ . 1 . 2]" 1
105 1 25 ALA H 1 100 ILE MG . . 4.760 4.087 3.372 4.831 0.071 20 0 "[ . 1 . 2]" 1
106 1 25 ALA HA 1 27 ALA H . . 3.850 3.904 3.738 3.944 0.094 13 0 "[ . 1 . 2]" 1
107 1 25 ALA HA 1 100 ILE MD . . 3.400 3.141 2.668 3.497 0.097 5 0 "[ . 1 . 2]" 1
108 1 25 ALA HA 1 100 ILE HG13 . . 3.470 2.389 2.036 3.520 0.050 20 0 "[ . 1 . 2]" 1
109 1 25 ALA MB 1 26 GLU H . . 3.880 2.680 2.285 3.365 . 0 0 "[ . 1 . 2]" 1
110 1 25 ALA MB 1 100 ILE MD . . 4.380 3.653 3.265 4.358 . 0 0 "[ . 1 . 2]" 1
111 1 25 ALA MB 1 100 ILE MG . . 4.130 2.976 2.139 3.583 . 0 0 "[ . 1 . 2]" 1
112 1 26 GLU H 1 27 ALA H . . 3.610 2.655 2.235 2.920 . 0 0 "[ . 1 . 2]" 1
113 1 27 ALA H 1 27 ALA MB . . 2.980 2.372 2.170 2.695 . 0 0 "[ . 1 . 2]" 1
114 1 28 ARG H 1 29 ARG H . . 3.570 2.525 1.826 3.438 . 0 0 "[ . 1 . 2]" 1
115 1 29 ARG H 1 29 ARG HG3 . . 3.460 2.742 1.856 3.611 0.151 16 0 "[ . 1 . 2]" 1
116 1 29 ARG H 1 30 ASN H . . 3.900 2.962 2.580 3.483 . 0 0 "[ . 1 . 2]" 1
117 1 29 ARG H 1 96 ALA MB . . 3.570 3.106 2.371 3.677 0.107 13 0 "[ . 1 . 2]" 1
118 1 29 ARG HA 1 96 ALA MB . . 3.480 2.282 1.964 3.560 0.080 6 0 "[ . 1 . 2]" 1
119 1 29 ARG HG3 1 30 ASN H . . 4.700 3.567 2.400 4.786 0.086 11 0 "[ . 1 . 2]" 1
120 1 30 ASN H 1 31 ARG H . . 3.550 2.354 1.910 2.980 . 0 0 "[ . 1 . 2]" 1
121 1 30 ASN H 1 56 VAL QG . . 4.620 3.834 3.139 4.609 . 0 0 "[ . 1 . 2]" 1
122 1 30 ASN HA 1 33 LEU H . . 4.180 3.460 3.106 4.043 . 0 0 "[ . 1 . 2]" 1
123 1 30 ASN HA 1 33 LEU HB3 . . 4.290 4.036 3.420 4.368 0.078 1 0 "[ . 1 . 2]" 1
124 1 30 ASN HA 1 33 LEU QD . . 3.770 2.720 1.959 3.770 . 0 0 "[ . 1 . 2]" 1
125 1 30 ASN HB3 1 31 ARG H . . 4.070 3.687 2.406 4.138 0.068 18 0 "[ . 1 . 2]" 1
126 1 30 ASN HB3 1 56 VAL HA . . 4.460 2.322 1.955 3.081 . 0 0 "[ . 1 . 2]" 1
127 1 30 ASN HB3 1 56 VAL QG . . 3.860 2.541 2.030 3.517 . 0 0 "[ . 1 . 2]" 1
128 1 30 ASN QD 1 56 VAL HA . . 4.680 3.912 2.804 4.419 . 0 0 "[ . 1 . 2]" 1
129 1 30 ASN QD 1 57 THR MG . . 3.700 3.424 2.603 3.700 0.000 11 0 "[ . 1 . 2]" 1
130 1 31 ARG H 1 32 LEU H . . 3.770 2.747 2.332 3.112 . 0 0 "[ . 1 . 2]" 1
131 1 31 ARG H 1 32 LEU QD . . 3.760 3.574 3.166 3.783 0.023 11 0 "[ . 1 . 2]" 1
132 1 31 ARG H 1 33 LEU H . . 5.200 4.193 3.573 4.557 . 0 0 "[ . 1 . 2]" 1
133 1 31 ARG H 1 56 VAL QG . . 4.010 3.548 2.572 4.014 0.004 13 0 "[ . 1 . 2]" 1
134 1 32 LEU H 1 32 LEU HB3 . . 3.880 2.820 2.235 3.527 . 0 0 "[ . 1 . 2]" 1
135 1 32 LEU H 1 32 LEU QD . . 3.710 2.092 1.805 2.639 . 0 0 "[ . 1 . 2]" 1
136 1 32 LEU H 1 33 LEU H . . 3.650 2.505 1.753 2.990 . 0 0 "[ . 1 . 2]" 1
137 1 32 LEU H 1 92 LEU QD . . 5.430 4.648 3.473 5.319 . 0 0 "[ . 1 . 2]" 1
138 1 32 LEU HA 1 32 LEU HB3 . . 2.570 2.444 2.284 2.647 0.077 6 0 "[ . 1 . 2]" 1
139 1 32 LEU HA 1 32 LEU HG . . 4.210 3.636 2.270 3.932 . 0 0 "[ . 1 . 2]" 1
140 1 32 LEU HB3 1 33 LEU H . . 4.280 4.229 3.457 4.539 0.259 7 0 "[ . 1 . 2]" 1
141 1 32 LEU QD 1 33 LEU H . . 3.900 2.579 2.083 3.862 . 0 0 "[ . 1 . 2]" 1
142 1 32 LEU QD 1 95 THR HB . . 4.340 2.716 2.158 3.440 . 0 0 "[ . 1 . 2]" 1
143 1 32 LEU QD 1 95 THR MG . . 3.090 2.436 2.085 3.157 0.067 11 0 "[ . 1 . 2]" 1
144 1 32 LEU QD 1 96 ALA HA . . 3.880 2.566 2.090 3.800 . 0 0 "[ . 1 . 2]" 1
145 1 32 LEU QD 1 96 ALA MB . . 3.630 2.719 1.898 3.382 . 0 0 "[ . 1 . 2]" 1
146 1 32 LEU QD 1 99 GLN HE21 . . 4.260 3.249 1.927 4.218 . 0 0 "[ . 1 . 2]" 1
147 1 32 LEU QD 1 99 GLN HE22 . . 4.650 3.017 1.677 4.285 . 0 0 "[ . 1 . 2]" 1
148 1 32 LEU HG 1 95 THR MG . . 4.810 4.553 3.042 4.899 0.089 7 0 "[ . 1 . 2]" 1
149 1 33 LEU H 1 33 LEU HB3 . . 3.850 2.981 2.174 3.661 . 0 0 "[ . 1 . 2]" 1
150 1 33 LEU H 1 33 LEU QD . . 4.260 3.339 2.079 3.737 . 0 0 "[ . 1 . 2]" 1
151 1 33 LEU H 1 33 LEU HG . . 4.280 3.805 2.498 4.368 0.088 4 0 "[ . 1 . 2]" 1
152 1 33 LEU H 1 34 GLY H . . 3.530 2.684 2.458 3.074 . 0 0 "[ . 1 . 2]" 1
153 1 33 LEU H 1 92 LEU QD . . 4.270 3.896 3.013 4.297 0.027 1 0 "[ . 1 . 2]" 1
154 1 33 LEU HA 1 33 LEU QD . . 3.330 2.137 1.902 2.296 . 0 0 "[ . 1 . 2]" 1
155 1 33 LEU HA 1 36 TRP HB3 . . 4.180 3.113 2.268 3.778 . 0 0 "[ . 1 . 2]" 1
156 1 33 LEU HA 1 36 TRP HE3 . . 4.480 3.849 2.996 4.545 0.065 7 0 "[ . 1 . 2]" 1
157 1 33 LEU HA 1 37 ALA H . . 5.470 4.569 3.997 5.207 . 0 0 "[ . 1 . 2]" 1
158 1 33 LEU HA 1 92 LEU QD . . 3.280 2.900 2.147 3.348 0.068 17 0 "[ . 1 . 2]" 1
159 1 33 LEU HB3 1 34 GLY H . . 3.610 3.136 2.641 3.676 0.066 20 0 "[ . 1 . 2]" 1
160 1 33 LEU QD 1 36 TRP HE3 . . 4.160 2.545 2.123 3.271 . 0 0 "[ . 1 . 2]" 1
161 1 33 LEU QD 1 36 TRP HZ3 . . 4.790 3.146 2.467 4.242 . 0 0 "[ . 1 . 2]" 1
162 1 33 LEU QD 1 88 LYS HG3 . . 4.270 3.729 2.173 4.301 0.031 9 0 "[ . 1 . 2]" 1
163 1 33 LEU QD 1 89 MET H . . 4.250 3.266 2.926 3.747 . 0 0 "[ . 1 . 2]" 1
164 1 33 LEU QD 1 89 MET HA . . 3.400 2.249 1.907 3.151 . 0 0 "[ . 1 . 2]" 1
165 1 33 LEU QD 1 89 MET HB3 . . 3.600 2.421 1.940 3.286 . 0 0 "[ . 1 . 2]" 1
166 1 34 GLY H 1 52 ALA HA . . 4.410 3.860 2.789 4.479 0.069 6 0 "[ . 1 . 2]" 1
167 1 34 GLY H 1 52 ALA MB . . 4.430 3.779 2.948 4.512 0.082 13 0 "[ . 1 . 2]" 1
168 1 34 GLY H 1 55 VAL HB . . 4.830 3.761 2.941 4.904 0.074 7 0 "[ . 1 . 2]" 1
169 1 34 GLY H 1 55 VAL MG1 . . 4.040 2.885 1.896 3.989 . 0 0 "[ . 1 . 2]" 1
170 1 34 GLY H 1 55 VAL MG2 . . 4.200 3.454 2.221 4.283 0.083 12 0 "[ . 1 . 2]" 1
171 1 34 GLY QA 1 37 ALA H . . 4.180 3.686 3.245 4.257 0.077 12 0 "[ . 1 . 2]" 1
172 1 34 GLY QA 1 37 ALA MB . . 3.720 3.008 2.337 3.828 0.108 12 0 "[ . 1 . 2]" 1
173 1 34 GLY QA 1 52 ALA HA . . 3.080 2.270 1.926 2.747 . 0 0 "[ . 1 . 2]" 1
174 1 34 GLY QA 1 55 VAL HB . . 3.890 3.091 2.437 3.981 0.091 7 0 "[ . 1 . 2]" 1
175 1 35 GLU H 1 36 TRP H . . 3.690 2.669 2.253 2.865 . 0 0 "[ . 1 . 2]" 1
176 1 35 GLU H 1 52 ALA MB . . 3.680 3.255 2.573 3.792 0.112 17 0 "[ . 1 . 2]" 1
177 1 35 GLU H 1 55 VAL MG2 . . 5.500 5.109 4.067 5.760 0.260 15 0 "[ . 1 . 2]" 1
178 1 35 GLU HG3 1 52 ALA MB . . 3.950 3.142 1.976 3.993 0.043 11 0 "[ . 1 . 2]" 1
179 1 36 TRP H 1 36 TRP HB3 . . 3.340 2.282 2.187 2.357 . 0 0 "[ . 1 . 2]" 1
180 1 36 TRP H 1 36 TRP HE3 . . 4.470 4.423 4.165 4.525 0.055 10 0 "[ . 1 . 2]" 1
181 1 36 TRP H 1 37 ALA H . . 3.500 2.820 2.478 3.047 . 0 0 "[ . 1 . 2]" 1
182 1 36 TRP H 1 37 ALA MB . . 4.430 4.330 3.997 4.509 0.079 13 0 "[ . 1 . 2]" 1
183 1 36 TRP HA 1 36 TRP HD1 . . 3.680 2.786 2.626 2.938 . 0 0 "[ . 1 . 2]" 1
184 1 36 TRP HA 1 36 TRP HE1 . . 5.180 5.113 5.007 5.243 0.063 1 0 "[ . 1 . 2]" 1
185 1 36 TRP HA 1 38 ALA H . . 5.500 4.562 4.277 4.936 . 0 0 "[ . 1 . 2]" 1
186 1 36 TRP HA 1 39 GLY H . . 4.500 4.207 3.545 4.555 0.055 15 0 "[ . 1 . 2]" 1
187 1 36 TRP HA 1 40 LEU QD . . 4.880 3.977 3.277 4.520 . 0 0 "[ . 1 . 2]" 1
188 1 36 TRP HB3 1 37 ALA H . . 3.750 2.262 2.076 2.411 . 0 0 "[ . 1 . 2]" 1
189 1 36 TRP HB3 1 92 LEU QD . . 4.250 4.021 2.662 4.714 0.464 17 0 "[ . 1 . 2]" 1
190 1 36 TRP HE1 1 40 LEU QD . . 3.770 2.425 1.962 2.919 . 0 0 "[ . 1 . 2]" 1
191 1 36 TRP HE1 1 40 LEU HG . . 5.250 4.386 3.087 5.313 0.063 17 0 "[ . 1 . 2]" 1
192 1 36 TRP HE3 1 37 ALA H . . 3.820 2.865 2.584 3.278 . 0 0 "[ . 1 . 2]" 1
193 1 36 TRP HE3 1 37 ALA MB . . 4.040 2.952 2.456 3.479 . 0 0 "[ . 1 . 2]" 1
194 1 36 TRP HH2 1 76 LEU QD . . 5.050 2.651 2.350 2.992 . 0 0 "[ . 1 . 2]" 1
195 1 36 TRP HH2 1 80 ALA MB . . 3.630 2.602 2.075 3.288 . 0 0 "[ . 1 . 2]" 1
196 1 36 TRP HH2 1 84 THR MG . . 3.660 3.216 2.480 3.760 0.100 8 0 "[ . 1 . 2]" 1
197 1 36 TRP HH2 1 85 ILE H . . 4.600 4.516 3.945 4.681 0.081 8 0 "[ . 1 . 2]" 1
198 1 36 TRP HH2 1 85 ILE HA . . 3.870 2.960 2.278 3.660 . 0 0 "[ . 1 . 2]" 1
199 1 36 TRP HH2 1 85 ILE MD . . 4.210 4.056 3.485 4.307 0.097 3 0 "[ . 1 . 2]" 1
200 1 36 TRP HH2 1 85 ILE HG13 . . 4.690 3.260 2.472 4.479 . 0 0 "[ . 1 . 2]" 1
201 1 36 TRP HZ2 1 40 LEU QD . . 3.480 2.884 2.540 3.475 . 0 0 "[ . 1 . 2]" 1
202 1 36 TRP HZ2 1 80 ALA MB . . 3.980 3.096 2.234 4.038 0.058 15 0 "[ . 1 . 2]" 1
203 1 36 TRP HZ2 1 84 THR MG . . 3.310 2.737 2.101 3.337 0.027 12 0 "[ . 1 . 2]" 1
204 1 36 TRP HZ3 1 85 ILE MG . . 4.370 3.297 2.416 4.089 . 0 0 "[ . 1 . 2]" 1
205 1 37 ALA H 1 37 ALA MB . . 3.130 2.188 2.120 2.245 . 0 0 "[ . 1 . 2]" 1
206 1 37 ALA H 1 38 ALA H . . 3.640 2.940 2.745 3.071 . 0 0 "[ . 1 . 2]" 1
207 1 37 ALA H 1 72 LEU QD . . 4.810 4.369 3.968 4.746 . 0 0 "[ . 1 . 2]" 1
208 1 37 ALA HA 1 40 LEU H . . 3.850 3.329 2.990 3.636 . 0 0 "[ . 1 . 2]" 1
209 1 37 ALA HA 1 40 LEU HB3 . . 4.240 4.138 3.837 4.321 0.081 20 0 "[ . 1 . 2]" 1
210 1 37 ALA HA 1 40 LEU QD . . 3.580 2.237 1.944 3.052 . 0 0 "[ . 1 . 2]" 1
211 1 37 ALA HA 1 40 LEU HG . . 4.280 3.751 2.398 4.378 0.098 6 0 "[ . 1 . 2]" 1
212 1 37 ALA HA 1 41 LEU H . . 4.660 4.103 3.851 4.512 . 0 0 "[ . 1 . 2]" 1
213 1 37 ALA HA 1 72 LEU QD . . 4.850 4.495 3.842 4.839 . 0 0 "[ . 1 . 2]" 1
214 1 37 ALA HA 1 76 LEU QD . . 3.420 2.509 2.078 2.946 . 0 0 "[ . 1 . 2]" 1
215 1 37 ALA MB 1 38 ALA H . . 3.560 2.747 2.494 3.020 . 0 0 "[ . 1 . 2]" 1
216 1 37 ALA MB 1 41 LEU QD . . 4.110 2.576 2.102 3.804 . 0 0 "[ . 1 . 2]" 1
217 1 37 ALA MB 1 51 TYR QD . . 3.970 4.075 4.044 4.102 0.132 11 0 "[ . 1 . 2]" 1
218 1 37 ALA MB 1 51 TYR QE . . 3.210 2.167 2.037 2.483 . 0 0 "[ . 1 . 2]" 1
219 1 37 ALA MB 1 72 LEU QD . . 3.330 2.516 2.063 2.822 . 0 0 "[ . 1 . 2]" 1
220 1 37 ALA MB 1 76 LEU QD . . 3.150 2.145 1.886 2.647 . 0 0 "[ . 1 . 2]" 1
221 1 38 ALA H 1 38 ALA MB . . 3.010 2.213 2.175 2.254 . 0 0 "[ . 1 . 2]" 1
222 1 38 ALA H 1 39 GLY H . . 3.470 3.011 2.609 3.327 . 0 0 "[ . 1 . 2]" 1
223 1 38 ALA H 1 40 LEU H . . 4.940 4.322 4.030 4.562 . 0 0 "[ . 1 . 2]" 1
224 1 38 ALA H 1 41 LEU QD . . 5.030 4.233 3.803 4.967 . 0 0 "[ . 1 . 2]" 1
225 1 38 ALA H 1 51 TYR QD . . 4.130 3.481 3.138 3.865 . 0 0 "[ . 1 . 2]" 1
226 1 38 ALA H 1 51 TYR QE . . 4.170 2.937 2.472 3.512 . 0 0 "[ . 1 . 2]" 1
227 1 38 ALA HA 1 41 LEU H . . 3.860 3.634 3.462 3.811 . 0 0 "[ . 1 . 2]" 1
228 1 38 ALA HA 1 41 LEU QD . . 3.720 3.182 2.634 3.686 . 0 0 "[ . 1 . 2]" 1
229 1 38 ALA HA 1 43 LYS H . . 4.230 3.678 3.419 3.961 . 0 0 "[ . 1 . 2]" 1
230 1 38 ALA HA 1 43 LYS HB3 . . 4.410 4.202 3.827 5.218 0.808 7 1 "[ . + 1 . 2]" 1
231 1 38 ALA HA 1 43 LYS HG3 . . 4.540 3.466 2.227 3.970 . 0 0 "[ . 1 . 2]" 1
232 1 38 ALA HA 1 51 TYR QD . . 4.130 3.453 2.590 4.206 0.076 8 0 "[ . 1 . 2]" 1
233 1 38 ALA HA 1 51 TYR QE . . 4.370 3.608 2.998 4.435 0.065 8 0 "[ . 1 . 2]" 1
234 1 38 ALA MB 1 39 GLY H . . 3.350 2.337 2.153 2.470 . 0 0 "[ . 1 . 2]" 1
235 1 38 ALA MB 1 39 GLY HA2 . . 4.840 3.824 3.723 3.887 . 0 0 "[ . 1 . 2]" 1
236 1 38 ALA MB 1 39 GLY HA3 . . 4.750 4.102 3.978 4.224 . 0 0 "[ . 1 . 2]" 1
237 1 38 ALA MB 1 48 ALA HA . . 3.780 2.316 2.034 2.708 . 0 0 "[ . 1 . 2]" 1
238 1 38 ALA MB 1 48 ALA MB . . 3.490 2.025 1.937 2.157 . 0 0 "[ . 1 . 2]" 1
239 1 38 ALA MB 1 51 TYR HB3 . . 3.760 3.293 2.848 3.808 0.048 5 0 "[ . 1 . 2]" 1
240 1 38 ALA MB 1 51 TYR QD . . 3.250 2.277 2.110 2.587 . 0 0 "[ . 1 . 2]" 1
241 1 38 ALA MB 1 51 TYR QE . . 3.600 3.443 3.173 3.687 0.087 15 0 "[ . 1 . 2]" 1
242 1 39 GLY H 1 40 LEU H . . 3.030 2.819 2.664 3.012 . 0 0 "[ . 1 . 2]" 1
243 1 40 LEU H 1 40 LEU HB3 . . 3.650 3.568 3.493 3.690 0.040 5 0 "[ . 1 . 2]" 1
244 1 40 LEU H 1 40 LEU QD . . 3.600 2.399 1.769 3.315 . 0 0 "[ . 1 . 2]" 1
245 1 40 LEU H 1 40 LEU HG . . 3.320 2.959 2.145 3.408 0.088 14 0 "[ . 1 . 2]" 1
246 1 40 LEU H 1 41 LEU H . . 3.380 2.660 2.074 2.953 . 0 0 "[ . 1 . 2]" 1
247 1 40 LEU H 1 42 GLY H . . 4.920 3.915 3.353 4.209 . 0 0 "[ . 1 . 2]" 1
248 1 40 LEU HA 1 40 LEU QD . . 2.810 2.500 2.007 2.830 0.020 12 0 "[ . 1 . 2]" 1
249 1 40 LEU HA 1 40 LEU HG . . 3.500 2.850 2.171 3.428 . 0 0 "[ . 1 . 2]" 1
250 1 40 LEU HB3 1 41 LEU H . . 4.000 3.554 3.331 3.834 . 0 0 "[ . 1 . 2]" 1
251 1 40 LEU QD 1 41 LEU H . . 4.490 3.894 3.606 4.180 . 0 0 "[ . 1 . 2]" 1
252 1 40 LEU QD 1 76 LEU QD . . 3.340 1.918 1.773 2.134 . 0 0 "[ . 1 . 2]" 1
253 1 40 LEU QD 1 76 LEU HG . . 5.500 3.486 2.563 4.314 . 0 0 "[ . 1 . 2]" 1
254 1 40 LEU QD 1 79 LYS HB3 . . 4.640 2.599 2.016 3.831 . 0 0 "[ . 1 . 2]" 1
255 1 41 LEU H 1 41 LEU QD . . 3.820 2.794 2.163 3.326 . 0 0 "[ . 1 . 2]" 1
256 1 41 LEU H 1 41 LEU HG . . 3.590 3.045 2.289 3.674 0.084 18 0 "[ . 1 . 2]" 1
257 1 41 LEU H 1 42 GLY H . . 3.350 2.664 2.492 2.923 . 0 0 "[ . 1 . 2]" 1
258 1 41 LEU H 1 43 LYS H . . 4.420 3.810 3.431 4.144 . 0 0 "[ . 1 . 2]" 1
259 1 41 LEU H 1 76 LEU QD . . 4.360 3.548 3.196 3.860 . 0 0 "[ . 1 . 2]" 1
260 1 41 LEU HA 1 41 LEU QD . . 2.820 2.396 1.958 2.805 . 0 0 "[ . 1 . 2]" 1
261 1 41 LEU HA 1 41 LEU HG . . 3.790 2.601 2.047 3.152 . 0 0 "[ . 1 . 2]" 1
262 1 41 LEU QD 1 42 GLY H . . 5.040 4.320 4.004 4.540 . 0 0 "[ . 1 . 2]" 1
263 1 41 LEU QD 1 75 ASP HA . . 4.960 3.692 3.189 4.217 . 0 0 "[ . 1 . 2]" 1
264 1 41 LEU QD 1 75 ASP HB3 . . 3.520 2.673 2.166 4.165 0.645 10 1 "[ . + . 2]" 1
265 1 41 LEU QD 1 76 LEU H . . 5.500 3.914 3.160 4.365 . 0 0 "[ . 1 . 2]" 1
266 1 41 LEU QD 1 76 LEU HA . . 3.690 2.833 2.152 3.542 . 0 0 "[ . 1 . 2]" 1
267 1 41 LEU HG 1 42 GLY H . . 4.890 4.895 4.656 4.983 0.093 7 0 "[ . 1 . 2]" 1
268 1 41 LEU HG 1 76 LEU QD . . 3.620 2.895 2.060 3.698 0.078 14 0 "[ . 1 . 2]" 1
269 1 42 GLY H 1 43 LYS H . . 3.220 2.446 1.940 2.714 . 0 0 "[ . 1 . 2]" 1
270 1 42 GLY HA3 1 43 LYS H . . 3.410 3.493 3.386 3.589 0.179 7 0 "[ . 1 . 2]" 1
271 1 43 LYS H 1 43 LYS HB3 . . 4.030 3.637 3.563 3.771 . 0 0 "[ . 1 . 2]" 1
272 1 43 LYS H 1 43 LYS HG3 . . 3.000 2.627 2.324 3.555 0.555 9 1 "[ . +1 . 2]" 1
273 1 43 LYS H 1 44 THR H . . 4.420 4.453 4.311 4.500 0.080 12 0 "[ . 1 . 2]" 1
274 1 43 LYS HA 1 43 LYS HG3 . . 3.830 3.387 3.100 3.788 . 0 0 "[ . 1 . 2]" 1
275 1 43 LYS HA 1 44 THR H . . 2.670 2.227 2.166 2.311 . 0 0 "[ . 1 . 2]" 1
276 1 43 LYS HB3 1 44 THR H . . 4.600 3.293 2.859 3.805 . 0 0 "[ . 1 . 2]" 1
277 1 43 LYS HB3 1 48 ALA H . . 3.810 3.468 2.969 4.552 0.742 7 1 "[ . + 1 . 2]" 1
278 1 43 LYS HB3 1 48 ALA HA . . 4.240 2.990 2.481 4.119 . 0 0 "[ . 1 . 2]" 1
279 1 44 THR H 1 44 THR MG . . 3.330 3.326 3.117 3.440 0.110 9 0 "[ . 1 . 2]" 1
280 1 44 THR H 1 47 ASP H . . 5.130 4.229 3.573 4.564 . 0 0 "[ . 1 . 2]" 1
281 1 44 THR H 1 47 ASP HB3 . . 3.830 3.100 2.357 3.901 0.071 9 0 "[ . 1 . 2]" 1
282 1 44 THR H 1 48 ALA H . . 4.180 3.616 3.249 3.938 . 0 0 "[ . 1 . 2]" 1
283 1 44 THR H 1 48 ALA HA . . 5.370 5.082 4.648 5.408 0.038 4 0 "[ . 1 . 2]" 1
284 1 44 THR H 1 48 ALA MB . . 3.790 3.567 3.378 3.837 0.047 15 0 "[ . 1 . 2]" 1
285 1 44 THR HA 1 44 THR HB . . 2.990 2.527 2.392 2.640 . 0 0 "[ . 1 . 2]" 1
286 1 44 THR HA 1 44 THR MG . . 2.990 2.322 2.226 2.466 . 0 0 "[ . 1 . 2]" 1
287 1 44 THR HA 1 45 GLY H . . 2.880 2.447 2.219 2.612 . 0 0 "[ . 1 . 2]" 1
288 1 44 THR HA 1 45 GLY HA2 . . 4.490 4.546 4.499 4.568 0.078 11 0 "[ . 1 . 2]" 1
289 1 44 THR HA 1 48 ALA H . . 3.730 3.722 3.498 3.808 0.078 9 0 "[ . 1 . 2]" 1
290 1 44 THR HA 1 48 ALA MB . . 3.260 2.210 2.000 2.486 . 0 0 "[ . 1 . 2]" 1
291 1 44 THR HB 1 45 GLY H . . 2.900 2.442 2.058 2.979 0.079 9 0 "[ . 1 . 2]" 1
292 1 44 THR MG 1 45 GLY H . . 3.790 3.591 3.333 3.863 0.073 9 0 "[ . 1 . 2]" 1
293 1 45 GLY H 1 48 ALA H . . 5.000 4.170 3.800 4.498 . 0 0 "[ . 1 . 2]" 1
294 1 45 GLY H 1 49 ARG H . . 5.100 4.980 4.412 5.166 0.066 12 0 "[ . 1 . 2]" 1
295 1 45 GLY HA2 1 46 ASP H . . 3.170 3.189 3.036 3.253 0.083 15 0 "[ . 1 . 2]" 1
296 1 45 GLY HA3 1 46 ASP H . . 2.890 2.179 2.081 2.311 . 0 0 "[ . 1 . 2]" 1
297 1 46 ASP H 1 46 ASP HB3 . . 3.320 2.719 2.498 2.950 . 0 0 "[ . 1 . 2]" 1
298 1 46 ASP H 1 47 ASP H . . 3.220 2.663 2.221 3.010 . 0 0 "[ . 1 . 2]" 1
299 1 46 ASP H 1 48 ALA H . . 4.740 4.252 3.828 4.719 . 0 0 "[ . 1 . 2]" 1
300 1 46 ASP H 1 49 ARG H . . 5.010 4.658 4.383 4.899 . 0 0 "[ . 1 . 2]" 1
301 1 46 ASP HA 1 49 ARG H . . 3.700 3.155 2.880 3.452 . 0 0 "[ . 1 . 2]" 1
302 1 46 ASP HA 1 49 ARG HA . . 5.220 4.951 4.665 5.300 0.080 15 0 "[ . 1 . 2]" 1
303 1 46 ASP HA 1 49 ARG HD3 . . 4.260 4.372 2.408 5.441 1.181 7 9 "[ * . +**1* **. -* 2]" 1
304 1 46 ASP HA 1 49 ARG HG3 . . 4.360 4.114 3.377 5.235 0.875 15 1 "[ . 1 + 2]" 1
305 1 46 ASP HB3 1 47 ASP H . . 3.560 2.927 2.376 3.308 . 0 0 "[ . 1 . 2]" 1
306 1 47 ASP H 1 47 ASP HB3 . . 2.940 3.129 2.681 3.548 0.608 4 5 "[ * +. * -.* 2]" 1
307 1 47 ASP H 1 48 ALA H . . 3.050 2.560 2.259 2.777 . 0 0 "[ . 1 . 2]" 1
308 1 47 ASP H 1 48 ALA MB . . 4.560 4.251 3.862 4.530 . 0 0 "[ . 1 . 2]" 1
309 1 47 ASP H 1 49 ARG H . . 4.260 3.949 3.588 4.189 . 0 0 "[ . 1 . 2]" 1
310 1 47 ASP HB3 1 48 ALA H . . 3.410 2.905 2.353 3.478 0.068 10 0 "[ . 1 . 2]" 1
311 1 48 ALA H 1 48 ALA MB . . 3.030 2.261 2.184 2.331 . 0 0 "[ . 1 . 2]" 1
312 1 48 ALA H 1 49 ARG H . . 3.070 2.550 2.307 2.822 . 0 0 "[ . 1 . 2]" 1
313 1 48 ALA H 1 49 ARG HA . . 5.350 5.160 4.985 5.342 . 0 0 "[ . 1 . 2]" 1
314 1 48 ALA H 1 50 ALA H . . 5.290 4.227 3.978 4.523 . 0 0 "[ . 1 . 2]" 1
315 1 48 ALA HA 1 51 TYR H . . 3.910 3.630 3.312 3.991 0.081 8 0 "[ . 1 . 2]" 1
316 1 48 ALA HA 1 51 TYR HB3 . . 3.610 2.618 2.253 2.923 . 0 0 "[ . 1 . 2]" 1
317 1 48 ALA HA 1 51 TYR QE . . 5.500 5.578 5.483 5.607 0.107 12 0 "[ . 1 . 2]" 1
318 1 48 ALA MB 1 49 ARG H . . 3.330 2.519 2.267 2.651 . 0 0 "[ . 1 . 2]" 1
319 1 48 ALA MB 1 49 ARG HA . . 3.810 3.814 3.649 3.912 0.102 17 0 "[ . 1 . 2]" 1
320 1 48 ALA MB 1 50 ALA H . . 5.500 4.673 4.477 4.931 . 0 0 "[ . 1 . 2]" 1
321 1 49 ARG H 1 49 ARG HG3 . . 3.750 3.814 2.789 4.360 0.610 15 1 "[ . 1 + 2]" 1
322 1 49 ARG H 1 50 ALA H . . 3.340 2.847 2.553 3.087 . 0 0 "[ . 1 . 2]" 1
323 1 49 ARG HA 1 49 ARG HD3 . . 4.190 4.385 2.834 4.899 0.709 5 3 "[ + - * 2]" 1
324 1 49 ARG HA 1 49 ARG HG3 . . 3.600 2.902 2.419 3.499 . 0 0 "[ . 1 . 2]" 1
325 1 49 ARG HA 1 52 ALA H . . 3.720 3.517 3.304 3.701 . 0 0 "[ . 1 . 2]" 1
326 1 49 ARG HA 1 52 ALA MB . . 3.300 2.652 2.414 2.900 . 0 0 "[ . 1 . 2]" 1
327 1 49 ARG HD3 1 53 LEU QD . . 4.210 4.063 3.227 5.083 0.873 10 3 "[ * - + . 2]" 1
328 1 50 ALA H 1 50 ALA MB . . 3.000 2.217 2.147 2.268 . 0 0 "[ . 1 . 2]" 1
329 1 50 ALA H 1 51 TYR H . . 3.790 2.758 2.456 2.874 . 0 0 "[ . 1 . 2]" 1
330 1 50 ALA H 1 52 ALA H . . 4.160 4.152 3.876 4.234 0.074 13 0 "[ . 1 . 2]" 1
331 1 50 ALA H 1 53 LEU QD . . 4.630 4.087 3.472 4.493 . 0 0 "[ . 1 . 2]" 1
332 1 50 ALA HA 1 53 LEU QD . . 3.260 2.214 2.018 2.581 . 0 0 "[ . 1 . 2]" 1
333 1 50 ALA HA 1 53 LEU HG . . 3.620 2.987 2.076 3.712 0.092 13 0 "[ . 1 . 2]" 1
334 1 50 ALA MB 1 51 TYR H . . 3.520 2.497 2.324 2.785 . 0 0 "[ . 1 . 2]" 1
335 1 51 TYR H 1 51 TYR HB3 . . 3.320 2.360 2.259 2.462 . 0 0 "[ . 1 . 2]" 1
336 1 51 TYR H 1 51 TYR QD . . 4.360 4.164 4.114 4.228 . 0 0 "[ . 1 . 2]" 1
337 1 51 TYR H 1 52 ALA H . . 3.510 2.786 2.564 2.922 . 0 0 "[ . 1 . 2]" 1
338 1 51 TYR HA 1 51 TYR QD . . 3.500 2.598 2.402 2.995 . 0 0 "[ . 1 . 2]" 1
339 1 51 TYR HA 1 54 THR MG . . 3.710 2.912 2.245 3.812 0.102 20 0 "[ . 1 . 2]" 1
340 1 51 TYR HB3 1 52 ALA H . . 3.680 2.637 2.395 2.949 . 0 0 "[ . 1 . 2]" 1
341 1 51 TYR HB3 1 52 ALA MB . . 4.760 4.036 3.783 4.387 . 0 0 "[ . 1 . 2]" 1
342 1 51 TYR QD 1 52 ALA H . . 4.120 3.574 3.096 3.836 . 0 0 "[ . 1 . 2]" 1
343 1 51 TYR QD 1 52 ALA HA . . 3.960 3.892 3.105 4.054 0.094 20 0 "[ . 1 . 2]" 1
344 1 51 TYR QD 1 52 ALA MB . . 4.010 3.847 3.397 4.134 0.124 12 0 "[ . 1 . 2]" 1
345 1 51 TYR QD 1 54 THR MG . . 4.710 3.764 2.822 4.829 0.119 8 0 "[ . 1 . 2]" 1
346 1 52 ALA H 1 52 ALA MB . . 3.120 2.212 2.122 2.289 . 0 0 "[ . 1 . 2]" 1
347 1 52 ALA H 1 53 LEU H . . 3.760 2.845 2.702 2.949 . 0 0 "[ . 1 . 2]" 1
348 1 52 ALA H 1 54 THR H . . 4.870 4.529 4.104 4.779 . 0 0 "[ . 1 . 2]" 1
349 1 52 ALA HA 1 55 VAL H . . 4.310 3.817 3.012 4.385 0.075 4 0 "[ . 1 . 2]" 1
350 1 52 ALA HA 1 55 VAL MG2 . . 4.020 3.302 2.059 4.770 0.750 7 1 "[ . + 1 . 2]" 1
351 1 52 ALA MB 1 53 LEU H . . 3.760 3.076 2.528 3.467 . 0 0 "[ . 1 . 2]" 1
352 1 52 ALA MB 1 53 LEU QD . . 3.940 3.471 3.075 3.685 . 0 0 "[ . 1 . 2]" 1
353 1 53 LEU H 1 53 LEU HB3 . . 3.110 3.634 3.566 3.708 0.598 4 12 "[ *+-* *** *.*** *]" 1
354 1 53 LEU H 1 53 LEU QD . . 3.920 3.051 2.699 3.375 . 0 0 "[ . 1 . 2]" 1
355 1 53 LEU H 1 53 LEU HG . . 3.480 2.407 2.022 2.874 . 0 0 "[ . 1 . 2]" 1
356 1 53 LEU H 1 54 THR H . . 3.710 2.608 2.241 2.917 . 0 0 "[ . 1 . 2]" 1
357 1 53 LEU HA 1 53 LEU HG . . 3.580 3.066 2.597 3.479 . 0 0 "[ . 1 . 2]" 1
358 1 53 LEU HB3 1 54 THR H . . 4.110 4.206 3.846 4.473 0.363 4 0 "[ . 1 . 2]" 1
359 1 53 LEU HB3 1 54 THR MG . . 4.130 4.724 3.525 5.404 1.274 19 14 "[** **** *1* ***-*+2]" 1
360 1 53 LEU QD 1 54 THR H . . 5.500 4.387 3.938 4.587 . 0 0 "[ . 1 . 2]" 1
361 1 54 THR H 1 54 THR HB . . 3.810 3.136 2.637 3.696 . 0 0 "[ . 1 . 2]" 1
362 1 54 THR H 1 54 THR MG . . 3.200 2.263 1.951 2.703 . 0 0 "[ . 1 . 2]" 1
363 1 54 THR H 1 55 VAL H . . 3.480 2.439 1.964 3.327 . 0 0 "[ . 1 . 2]" 1
364 1 54 THR H 1 55 VAL MG2 . . 4.950 3.938 2.755 5.548 0.598 7 1 "[ . + 1 . 2]" 1
365 1 54 THR HA 1 54 THR MG . . 3.390 3.112 2.233 3.287 . 0 0 "[ . 1 . 2]" 1
366 1 54 THR HB 1 55 VAL H . . 5.090 4.446 3.870 4.726 . 0 0 "[ . 1 . 2]" 1
367 1 54 THR MG 1 55 VAL H . . 4.190 3.507 2.251 4.293 0.103 10 0 "[ . 1 . 2]" 1
368 1 55 VAL H 1 55 VAL HB . . 3.450 2.758 2.114 3.539 0.089 10 0 "[ . 1 . 2]" 1
369 1 55 VAL H 1 55 VAL MG1 . . 4.150 3.107 1.848 4.030 . 0 0 "[ . 1 . 2]" 1
370 1 55 VAL H 1 55 VAL MG2 . . 3.420 2.951 1.837 3.811 0.391 4 0 "[ . 1 . 2]" 1
371 1 55 VAL H 1 56 VAL H . . 3.900 3.462 2.263 3.995 0.095 7 0 "[ . 1 . 2]" 1
372 1 55 VAL HA 1 55 VAL MG1 . . 3.230 2.677 2.250 3.259 0.029 18 0 "[ . 1 . 2]" 1
373 1 55 VAL HA 1 55 VAL MG2 . . 3.180 2.546 2.220 3.259 0.079 17 0 "[ . 1 . 2]" 1
374 1 55 VAL HA 1 56 VAL H . . 3.470 2.667 2.095 3.523 0.053 18 0 "[ . 1 . 2]" 1
375 1 55 VAL MG2 1 56 VAL H . . 5.050 4.146 2.948 4.514 . 0 0 "[ . 1 . 2]" 1
376 1 56 VAL H 1 56 VAL HB . . 3.400 3.207 2.472 3.496 0.096 19 0 "[ . 1 . 2]" 1
377 1 56 VAL H 1 56 VAL QG . . 3.460 2.408 1.707 3.096 . 0 0 "[ . 1 . 2]" 1
378 1 56 VAL H 1 57 THR H . . 4.250 4.046 3.147 4.335 0.085 18 0 "[ . 1 . 2]" 1
379 1 56 VAL H 1 57 THR MG . . 4.880 4.281 3.374 4.971 0.091 15 0 "[ . 1 . 2]" 1
380 1 56 VAL HA 1 56 VAL QG . . 3.110 2.211 2.078 2.415 . 0 0 "[ . 1 . 2]" 1
381 1 56 VAL HA 1 57 THR H . . 3.360 2.237 1.979 2.684 . 0 0 "[ . 1 . 2]" 1
382 1 56 VAL HB 1 57 THR H . . 4.340 4.105 3.147 4.423 0.083 10 0 "[ . 1 . 2]" 1
383 1 56 VAL QG 1 57 THR H . . 4.240 2.968 1.767 3.808 . 0 0 "[ . 1 . 2]" 1
384 1 57 THR H 1 57 THR MG . . 4.260 2.672 2.063 3.697 . 0 0 "[ . 1 . 2]" 1
385 1 57 THR HA 1 57 THR HB . . 2.650 2.425 2.238 2.572 . 0 0 "[ . 1 . 2]" 1
386 1 57 THR HA 1 58 SER H . . 3.540 2.972 2.211 3.612 0.072 7 0 "[ . 1 . 2]" 1
387 1 57 THR MG 1 58 SER H . . 4.900 3.036 1.713 4.450 . 0 0 "[ . 1 . 2]" 1
388 1 57 THR MG 1 59 ASP H . . 5.500 4.235 2.056 5.585 0.085 2 0 "[ . 1 . 2]" 1
389 1 59 ASP H 1 59 ASP HB3 . . 4.000 3.238 2.397 3.744 . 0 0 "[ . 1 . 2]" 1
390 1 59 ASP H 1 68 VAL QG . . 4.260 2.747 1.603 3.986 . 0 0 "[ . 1 . 2]" 1
391 1 59 ASP HA 1 68 VAL QG . . 4.010 3.292 2.058 4.050 0.040 8 0 "[ . 1 . 2]" 1
392 1 59 ASP HB3 1 68 VAL QG . . 4.480 3.058 1.982 4.432 . 0 0 "[ . 1 . 2]" 1
393 1 60 PHE HA 1 60 PHE QD . . 3.580 2.845 2.245 3.680 0.100 7 0 "[ . 1 . 2]" 1
394 1 60 PHE QE 1 85 ILE HB . . 3.830 3.734 2.163 3.937 0.107 1 0 "[ . 1 . 2]" 1
395 1 60 PHE QE 1 85 ILE MD . . 4.910 4.662 3.487 5.012 0.102 7 0 "[ . 1 . 2]" 1
396 1 60 PHE QE 1 86 ARG H . . 4.300 3.812 2.749 4.365 0.065 12 0 "[ . 1 . 2]" 1
397 1 60 PHE QE 1 86 ARG HA . . 3.550 3.037 2.203 3.642 0.092 8 0 "[ . 1 . 2]" 1
398 1 60 PHE QE 1 86 ARG HB3 . . 4.870 2.839 2.310 3.293 . 0 0 "[ . 1 . 2]" 1
399 1 64 GLY QA 1 65 ASP H . . 3.490 2.526 2.131 3.004 . 0 0 "[ . 1 . 2]" 1
400 1 64 GLY QA 1 66 GLU H . . 5.500 4.101 2.968 5.340 . 0 0 "[ . 1 . 2]" 1
401 1 66 GLU H 1 67 ASP H . . 4.390 3.296 2.254 4.470 0.080 15 0 "[ . 1 . 2]" 1
402 1 66 GLU HA 1 69 PHE H . . 4.310 3.917 3.318 4.386 0.076 6 0 "[ . 1 . 2]" 1
403 1 66 GLU HA 1 70 ARG H . . 5.030 4.277 3.580 4.988 . 0 0 "[ . 1 . 2]" 1
404 1 67 ASP H 1 68 VAL H . . 4.150 2.813 1.949 4.064 . 0 0 "[ . 1 . 2]" 1
405 1 67 ASP HA 1 70 ARG H . . 4.920 3.653 2.819 4.342 . 0 0 "[ . 1 . 2]" 1
406 1 67 ASP HA 1 70 ARG HB3 . . 3.420 2.930 2.024 3.752 0.332 7 0 "[ . 1 . 2]" 1
407 1 68 VAL H 1 68 VAL HB . . 3.370 2.593 2.291 3.430 0.060 10 0 "[ . 1 . 2]" 1
408 1 68 VAL H 1 68 VAL QG . . 3.200 2.184 1.884 2.760 . 0 0 "[ . 1 . 2]" 1
409 1 68 VAL H 1 69 PHE H . . 3.890 2.653 2.105 3.131 . 0 0 "[ . 1 . 2]" 1
410 1 68 VAL HA 1 68 VAL QG . . 3.280 2.227 2.083 2.429 . 0 0 "[ . 1 . 2]" 1
411 1 68 VAL QG 1 69 PHE H . . 4.120 2.744 1.844 3.405 . 0 0 "[ . 1 . 2]" 1
412 1 68 VAL QG 1 89 MET ME . . 3.130 2.544 1.988 3.233 0.103 16 0 "[ . 1 . 2]" 1
413 1 69 PHE HA 1 69 PHE QD . . 3.450 3.189 2.370 3.567 0.117 12 0 "[ . 1 . 2]" 1
414 1 69 PHE HA 1 72 LEU H . . 4.520 3.518 3.135 3.926 . 0 0 "[ . 1 . 2]" 1
415 1 69 PHE HA 1 72 LEU QD . . 4.010 3.450 2.698 3.975 . 0 0 "[ . 1 . 2]" 1
416 1 69 PHE HA 1 73 ALA H . . 4.070 3.699 2.996 4.136 0.066 5 0 "[ . 1 . 2]" 1
417 1 69 PHE HA 1 73 ALA MB . . 4.420 4.191 3.625 4.529 0.109 17 0 "[ . 1 . 2]" 1
418 1 69 PHE HA 1 85 ILE MG . . 3.490 3.016 2.177 3.579 0.089 3 0 "[ . 1 . 2]" 1
419 1 69 PHE QD 1 70 ARG H . . 4.240 3.321 2.045 4.333 0.093 9 0 "[ . 1 . 2]" 1
420 1 69 PHE QD 1 70 ARG HA . . 5.060 3.593 2.580 5.135 0.075 3 0 "[ . 1 . 2]" 1
421 1 69 PHE QD 1 85 ILE HB . . 4.160 3.223 2.383 4.255 0.095 8 0 "[ . 1 . 2]" 1
422 1 69 PHE QD 1 85 ILE MG . . 3.430 2.904 2.249 3.530 0.100 17 0 "[ . 1 . 2]" 1
423 1 70 ARG H 1 70 ARG HB3 . . 3.600 2.493 2.102 2.740 . 0 0 "[ . 1 . 2]" 1
424 1 70 ARG H 1 71 LYS H . . 3.740 2.981 2.639 3.170 . 0 0 "[ . 1 . 2]" 1
425 1 70 ARG HA 1 72 LEU H . . 4.740 4.474 3.588 4.821 0.081 10 0 "[ . 1 . 2]" 1
426 1 71 LYS H 1 71 LYS HB3 . . 2.900 3.561 2.723 3.772 0.872 10 18 "[*****-** +*** ******]" 1
427 1 71 LYS H 1 72 LEU H . . 3.620 2.512 2.017 2.803 . 0 0 "[ . 1 . 2]" 1
428 1 71 LYS H 1 73 ALA H . . 4.620 4.238 3.433 4.678 0.058 7 0 "[ . 1 . 2]" 1
429 1 71 LYS HB3 1 72 LEU H . . 3.780 3.825 3.282 4.338 0.558 3 3 "[ + . *- 1 . 2]" 1
430 1 72 LEU H 1 72 LEU HB3 . . 4.130 3.212 2.375 3.675 . 0 0 "[ . 1 . 2]" 1
431 1 72 LEU H 1 72 LEU QD . . 4.110 3.507 2.598 3.774 . 0 0 "[ . 1 . 2]" 1
432 1 72 LEU H 1 72 LEU HG . . 5.430 3.695 2.684 4.517 . 0 0 "[ . 1 . 2]" 1
433 1 72 LEU H 1 73 ALA H . . 3.480 2.616 1.846 3.025 . 0 0 "[ . 1 . 2]" 1
434 1 72 LEU H 1 73 ALA MB . . 5.200 4.252 3.683 4.618 . 0 0 "[ . 1 . 2]" 1
435 1 72 LEU HA 1 72 LEU QD . . 3.040 2.105 1.945 2.189 . 0 0 "[ . 1 . 2]" 1
436 1 72 LEU HA 1 75 ASP H . . 4.420 3.620 3.119 4.490 0.070 8 0 "[ . 1 . 2]" 1
437 1 72 LEU HA 1 75 ASP HB3 . . 4.000 3.661 2.400 4.080 0.080 4 0 "[ . 1 . 2]" 1
438 1 72 LEU HA 1 76 LEU QD . . 4.860 4.018 2.542 4.576 . 0 0 "[ . 1 . 2]" 1
439 1 72 LEU HB3 1 73 ALA H . . 3.880 2.847 2.054 3.966 0.086 8 0 "[ . 1 . 2]" 1
440 1 72 LEU HB3 1 73 ALA HA . . 4.710 4.033 3.624 4.592 . 0 0 "[ . 1 . 2]" 1
441 1 72 LEU QD 1 75 ASP HB3 . . 5.060 3.778 3.004 4.333 . 0 0 "[ . 1 . 2]" 1
442 1 72 LEU QD 1 76 LEU H . . 5.020 4.061 3.203 4.969 . 0 0 "[ . 1 . 2]" 1
443 1 72 LEU QD 1 76 LEU QD . . 4.050 2.223 1.867 2.829 . 0 0 "[ . 1 . 2]" 1
444 1 72 LEU QD 1 85 ILE HG13 . . 4.430 4.290 3.331 5.585 1.155 10 3 "[ * . + - . 2]" 1
445 1 73 ALA H 1 73 ALA MB . . 3.030 2.218 2.140 2.326 . 0 0 "[ . 1 . 2]" 1
446 1 73 ALA H 1 74 ALA H . . 3.310 2.823 2.625 3.031 . 0 0 "[ . 1 . 2]" 1
447 1 73 ALA H 1 74 ALA MB . . 4.670 4.464 4.281 4.691 0.021 3 0 "[ . 1 . 2]" 1
448 1 73 ALA H 1 85 ILE MD . . 3.890 3.147 2.523 3.787 . 0 0 "[ . 1 . 2]" 1
449 1 73 ALA HA 1 76 LEU H . . 3.920 3.599 3.118 3.989 0.069 8 0 "[ . 1 . 2]" 1
450 1 73 ALA HA 1 76 LEU HB3 . . 4.590 3.646 2.316 4.653 0.063 5 0 "[ . 1 . 2]" 1
451 1 73 ALA HA 1 85 ILE MD . . 3.000 2.603 2.226 2.964 . 0 0 "[ . 1 . 2]" 1
452 1 73 ALA MB 1 74 ALA H . . 3.210 2.687 2.031 3.298 0.088 4 0 "[ . 1 . 2]" 1
453 1 73 ALA MB 1 74 ALA HA . . 4.760 4.012 3.853 4.231 . 0 0 "[ . 1 . 2]" 1
454 1 73 ALA MB 1 82 GLU HG3 . . 4.460 4.578 4.075 5.234 0.774 14 2 "[ . 1 +. - 2]" 1
455 1 74 ALA H 1 74 ALA MB . . 2.770 2.232 2.180 2.370 . 0 0 "[ . 1 . 2]" 1
456 1 74 ALA H 1 75 ASP H . . 3.210 2.666 2.267 2.972 . 0 0 "[ . 1 . 2]" 1
457 1 74 ALA H 1 76 LEU H . . 4.590 4.072 3.418 4.575 . 0 0 "[ . 1 . 2]" 1
458 1 74 ALA MB 1 75 ASP H . . 3.540 2.650 2.191 3.086 . 0 0 "[ . 1 . 2]" 1
459 1 75 ASP H 1 75 ASP HB3 . . 3.740 3.136 2.340 3.451 . 0 0 "[ . 1 . 2]" 1
460 1 75 ASP H 1 77 GLU H . . 5.200 4.227 3.840 4.435 . 0 0 "[ . 1 . 2]" 1
461 1 75 ASP HB3 1 76 LEU H . . 4.050 2.914 2.263 3.738 . 0 0 "[ . 1 . 2]" 1
462 1 76 LEU H 1 76 LEU QD . . 3.920 3.435 3.124 3.718 . 0 0 "[ . 1 . 2]" 1
463 1 76 LEU H 1 77 GLU H . . 3.160 2.855 2.492 3.223 0.063 3 0 "[ . 1 . 2]" 1
464 1 76 LEU HA 1 76 LEU QD . . 2.990 2.073 2.001 2.139 . 0 0 "[ . 1 . 2]" 1
465 1 76 LEU HB3 1 76 LEU QD . . 2.690 2.208 2.052 2.381 . 0 0 "[ . 1 . 2]" 1
466 1 76 LEU HB3 1 77 GLU H . . 4.460 4.161 3.746 4.503 0.043 16 0 "[ . 1 . 2]" 1
467 1 76 LEU QD 1 77 GLU H . . 4.730 4.381 4.248 4.508 . 0 0 "[ . 1 . 2]" 1
468 1 76 LEU QD 1 79 LYS H . . 5.040 4.175 3.908 4.488 . 0 0 "[ . 1 . 2]" 1
469 1 76 LEU QD 1 79 LYS HB3 . . 4.570 3.162 2.697 4.308 . 0 0 "[ . 1 . 2]" 1
470 1 76 LEU QD 1 80 ALA H . . 5.010 4.167 3.838 4.582 . 0 0 "[ . 1 . 2]" 1
471 1 76 LEU QD 1 80 ALA MB . . 3.390 2.039 1.930 2.337 . 0 0 "[ . 1 . 2]" 1
472 1 77 GLU H 1 77 GLU HB3 . . 3.000 2.430 2.263 2.619 . 0 0 "[ . 1 . 2]" 1
473 1 77 GLU H 1 78 GLY H . . 4.360 4.409 4.269 4.438 0.078 17 0 "[ . 1 . 2]" 1
474 1 77 GLU H 1 79 LYS H . . 4.710 4.480 4.202 4.767 0.057 11 0 "[ . 1 . 2]" 1
475 1 77 GLU HA 1 77 GLU HG3 . . 3.260 2.551 2.314 2.787 . 0 0 "[ . 1 . 2]" 1
476 1 77 GLU HA 1 78 GLY H . . 2.690 2.137 2.067 2.226 . 0 0 "[ . 1 . 2]" 1
477 1 77 GLU HA 1 79 LYS H . . 4.270 3.638 3.405 3.827 . 0 0 "[ . 1 . 2]" 1
478 1 77 GLU HB3 1 78 GLY H . . 4.530 4.398 4.237 4.499 . 0 0 "[ . 1 . 2]" 1
479 1 77 GLU HG3 1 78 GLY H . . 3.820 3.461 2.862 3.937 0.117 13 0 "[ . 1 . 2]" 1
480 1 77 GLU HG3 1 78 GLY QA . . 4.290 4.353 3.873 4.763 0.473 13 0 "[ . 1 . 2]" 1
481 1 78 GLY H 1 79 LYS H . . 3.430 2.570 2.265 2.789 . 0 0 "[ . 1 . 2]" 1
482 1 78 GLY H 1 80 ALA H . . 4.100 3.473 3.069 3.817 . 0 0 "[ . 1 . 2]" 1
483 1 79 LYS H 1 79 LYS HB3 . . 3.970 3.782 3.673 3.875 . 0 0 "[ . 1 . 2]" 1
484 1 79 LYS H 1 80 ALA H . . 2.790 2.137 1.943 2.353 . 0 0 "[ . 1 . 2]" 1
485 1 80 ALA H 1 80 ALA MB . . 3.450 2.755 2.621 2.886 . 0 0 "[ . 1 . 2]" 1
486 1 80 ALA HA 1 81 ASP H . . 2.790 2.456 2.100 2.846 0.056 19 0 "[ . 1 . 2]" 1
487 1 80 ALA MB 1 81 ASP H . . 3.570 2.440 1.898 3.443 . 0 0 "[ . 1 . 2]" 1
488 1 80 ALA MB 1 84 THR HB . . 3.730 3.243 2.446 3.710 . 0 0 "[ . 1 . 2]" 1
489 1 80 ALA MB 1 85 ILE H . . 4.770 3.666 3.217 3.990 . 0 0 "[ . 1 . 2]" 1
490 1 80 ALA MB 1 85 ILE HA . . 4.400 4.032 3.631 4.488 0.088 8 0 "[ . 1 . 2]" 1
491 1 80 ALA MB 1 85 ILE HG13 . . 3.730 2.375 2.104 3.770 0.040 3 0 "[ . 1 . 2]" 1
492 1 81 ASP H 1 81 ASP HB3 . . 3.820 3.776 3.562 3.901 0.081 6 0 "[ . 1 . 2]" 1
493 1 81 ASP H 1 82 GLU H . . 5.040 4.378 4.102 4.668 . 0 0 "[ . 1 . 2]" 1
494 1 81 ASP H 1 84 THR HB . . 3.160 2.082 1.784 2.713 . 0 0 "[ . 1 . 2]" 1
495 1 81 ASP H 1 84 THR MG . . 4.060 3.018 2.670 3.444 . 0 0 "[ . 1 . 2]" 1
496 1 81 ASP HA 1 82 GLU H . . 3.270 2.394 2.269 2.544 . 0 0 "[ . 1 . 2]" 1
497 1 81 ASP HA 1 83 GLU H . . 4.660 4.497 4.124 4.723 0.063 12 0 "[ . 1 . 2]" 1
498 1 81 ASP HB3 1 82 GLU H . . 3.140 2.478 2.066 2.763 . 0 0 "[ . 1 . 2]" 1
499 1 81 ASP HB3 1 82 GLU HA . . 5.000 4.902 4.513 5.083 0.083 19 0 "[ . 1 . 2]" 1
500 1 81 ASP HB3 1 83 GLU H . . 4.160 3.109 2.215 3.950 . 0 0 "[ . 1 . 2]" 1
501 1 82 GLU H 1 82 GLU HG3 . . 3.240 2.568 2.097 3.723 0.483 14 0 "[ . 1 . 2]" 1
502 1 82 GLU H 1 85 ILE MD . . 5.330 4.498 3.920 5.079 . 0 0 "[ . 1 . 2]" 1
503 1 82 GLU HA 1 85 ILE MD . . 3.560 2.920 2.018 3.651 0.091 13 0 "[ . 1 . 2]" 1
504 1 83 GLU H 1 83 GLU HB3 . . 2.900 3.033 2.532 3.737 0.837 15 7 "[- . *1* +* **]" 1
505 1 83 GLU H 1 84 THR H . . 3.290 2.554 2.201 2.777 . 0 0 "[ . 1 . 2]" 1
506 1 83 GLU H 1 84 THR HB . . 4.580 4.565 4.147 4.669 0.089 20 0 "[ . 1 . 2]" 1
507 1 84 THR H 1 84 THR HB . . 3.110 2.308 2.181 2.409 . 0 0 "[ . 1 . 2]" 1
508 1 84 THR H 1 84 THR MG . . 4.070 3.726 3.674 3.751 . 0 0 "[ . 1 . 2]" 1
509 1 84 THR HA 1 84 THR MG . . 3.050 2.554 2.450 2.680 . 0 0 "[ . 1 . 2]" 1
510 1 84 THR HB 1 85 ILE H . . 3.230 2.782 2.454 3.094 . 0 0 "[ . 1 . 2]" 1
511 1 84 THR MG 1 85 ILE H . . 3.500 3.393 3.052 3.577 0.077 7 0 "[ . 1 . 2]" 1
512 1 84 THR MG 1 85 ILE HA . . 4.280 3.540 3.125 3.844 . 0 0 "[ . 1 . 2]" 1
513 1 84 THR MG 1 85 ILE HG13 . . 4.440 3.701 3.000 4.456 0.016 3 0 "[ . 1 . 2]" 1
514 1 85 ILE H 1 85 ILE HB . . 2.970 2.568 2.350 2.941 . 0 0 "[ . 1 . 2]" 1
515 1 85 ILE H 1 85 ILE MD . . 3.680 3.308 2.352 3.674 . 0 0 "[ . 1 . 2]" 1
516 1 85 ILE H 1 85 ILE MG . . 3.790 3.801 3.746 3.842 0.052 18 0 "[ . 1 . 2]" 1
517 1 85 ILE H 1 86 ARG H . . 3.400 2.831 2.525 3.036 . 0 0 "[ . 1 . 2]" 1
518 1 85 ILE HA 1 85 ILE MG . . 3.260 2.426 2.186 2.562 . 0 0 "[ . 1 . 2]" 1
519 1 85 ILE HA 1 88 LYS H . . 3.970 3.548 3.137 4.006 0.036 18 0 "[ . 1 . 2]" 1
520 1 85 ILE HA 1 88 LYS HB3 . . 4.130 3.686 2.597 4.210 0.080 9 0 "[ . 1 . 2]" 1
521 1 85 ILE HB 1 85 ILE MD . . 3.100 2.375 2.236 2.514 . 0 0 "[ . 1 . 2]" 1
522 1 85 ILE HB 1 86 ARG H . . 3.380 2.501 2.265 2.744 . 0 0 "[ . 1 . 2]" 1
523 1 85 ILE HB 1 86 ARG HA . . 4.280 4.281 3.794 4.364 0.084 15 0 "[ . 1 . 2]" 1
524 1 85 ILE MD 1 85 ILE MG . . 3.420 2.192 2.045 2.758 . 0 0 "[ . 1 . 2]" 1
525 1 85 ILE MD 1 86 ARG H . . 5.080 4.370 3.855 4.675 . 0 0 "[ . 1 . 2]" 1
526 1 85 ILE MG 1 86 ARG H . . 3.810 3.295 2.977 3.652 . 0 0 "[ . 1 . 2]" 1
527 1 85 ILE MG 1 86 ARG HA . . 4.470 3.335 3.080 3.683 . 0 0 "[ . 1 . 2]" 1
528 1 86 ARG H 1 86 ARG HB3 . . 3.940 2.364 2.228 2.526 . 0 0 "[ . 1 . 2]" 1
529 1 86 ARG H 1 87 ALA H . . 3.350 2.818 2.694 2.924 . 0 0 "[ . 1 . 2]" 1
530 1 86 ARG HA 1 87 ALA H . . 3.460 3.511 3.385 3.537 0.077 19 0 "[ . 1 . 2]" 1
531 1 86 ARG HB3 1 87 ALA H . . 4.280 3.987 3.703 4.296 0.016 18 0 "[ . 1 . 2]" 1
532 1 87 ALA H 1 87 ALA MB . . 2.830 2.276 2.187 2.518 . 0 0 "[ . 1 . 2]" 1
533 1 87 ALA HA 1 90 VAL H . . 4.670 3.924 3.467 4.555 . 0 0 "[ . 1 . 2]" 1
534 1 87 ALA HA 1 90 VAL HB . . 3.550 3.194 2.642 3.644 0.094 18 0 "[ . 1 . 2]" 1
535 1 87 ALA HA 1 90 VAL MG2 . . 3.690 3.557 2.520 3.798 0.108 15 0 "[ . 1 . 2]" 1
536 1 88 LYS H 1 88 LYS HB3 . . 3.550 3.114 2.362 3.526 . 0 0 "[ . 1 . 2]" 1
537 1 88 LYS H 1 88 LYS HG3 . . 4.650 4.350 3.906 4.657 0.007 18 0 "[ . 1 . 2]" 1
538 1 88 LYS H 1 89 MET H . . 3.290 2.783 2.018 3.087 . 0 0 "[ . 1 . 2]" 1
539 1 88 LYS H 1 90 VAL H . . 4.940 4.195 3.473 4.583 . 0 0 "[ . 1 . 2]" 1
540 1 88 LYS HA 1 88 LYS HG3 . . 4.110 2.498 2.097 3.328 . 0 0 "[ . 1 . 2]" 1
541 1 88 LYS HA 1 89 MET H . . 3.540 3.586 3.518 3.616 0.076 11 0 "[ . 1 . 2]" 1
542 1 88 LYS HB3 1 89 MET H . . 4.010 2.788 2.252 3.495 . 0 0 "[ . 1 . 2]" 1
543 1 88 LYS HG3 1 92 LEU QD . . 4.870 3.092 2.202 3.993 . 0 0 "[ . 1 . 2]" 1
544 1 89 MET H 1 89 MET HB3 . . 3.890 3.054 2.328 3.686 . 0 0 "[ . 1 . 2]" 1
545 1 89 MET H 1 89 MET ME . . 4.300 4.123 3.378 4.393 0.093 11 0 "[ . 1 . 2]" 1
546 1 89 MET H 1 90 VAL H . . 3.480 2.758 2.470 2.883 . 0 0 "[ . 1 . 2]" 1
547 1 89 MET HA 1 92 LEU H . . 4.570 4.001 3.149 4.513 . 0 0 "[ . 1 . 2]" 1
548 1 89 MET HA 1 92 LEU QD . . 4.240 2.743 1.932 3.710 . 0 0 "[ . 1 . 2]" 1
549 1 89 MET HB3 1 90 VAL H . . 4.460 4.016 3.501 4.443 . 0 0 "[ . 1 . 2]" 1
550 1 90 VAL H 1 90 VAL HB . . 3.040 2.453 2.287 2.590 . 0 0 "[ . 1 . 2]" 1
551 1 90 VAL H 1 90 VAL MG2 . . 2.980 2.194 1.893 2.603 . 0 0 "[ . 1 . 2]" 1
552 1 90 VAL H 1 91 GLU H . . 3.110 2.604 1.893 2.998 . 0 0 "[ . 1 . 2]" 1
553 1 90 VAL H 1 92 LEU H . . 5.290 4.473 3.831 5.090 . 0 0 "[ . 1 . 2]" 1
554 1 90 VAL H 1 92 LEU QD . . 5.320 4.892 4.146 5.265 . 0 0 "[ . 1 . 2]" 1
555 1 90 VAL HA 1 90 VAL MG1 . . 3.170 2.439 2.282 2.548 . 0 0 "[ . 1 . 2]" 1
556 1 90 VAL HA 1 90 VAL MG2 . . 2.910 2.435 2.364 2.549 . 0 0 "[ . 1 . 2]" 1
557 1 90 VAL HB 1 91 GLU H . . 3.330 2.867 2.566 3.123 . 0 0 "[ . 1 . 2]" 1
558 1 90 VAL MG1 1 91 GLU H . . 3.720 3.662 3.336 3.816 0.096 8 0 "[ . 1 . 2]" 1
559 1 90 VAL MG2 1 91 GLU H . . 5.140 3.999 3.775 4.172 . 0 0 "[ . 1 . 2]" 1
560 1 91 GLU H 1 92 LEU H . . 3.700 2.811 2.524 3.302 . 0 0 "[ . 1 . 2]" 1
561 1 91 GLU H 1 92 LEU QD . . 4.720 4.221 3.120 4.625 . 0 0 "[ . 1 . 2]" 1
562 1 91 GLU H 1 93 ARG H . . 4.850 4.367 3.817 4.904 0.054 6 0 "[ . 1 . 2]" 1
563 1 91 GLU HA 1 93 ARG H . . 4.190 3.787 3.292 4.246 0.056 16 0 "[ . 1 . 2]" 1
564 1 92 LEU H 1 92 LEU HB3 . . 3.810 3.343 2.522 3.611 . 0 0 "[ . 1 . 2]" 1
565 1 92 LEU H 1 92 LEU QD . . 4.370 2.733 1.831 3.226 . 0 0 "[ . 1 . 2]" 1
566 1 92 LEU H 1 92 LEU HG . . 3.740 2.705 1.922 3.836 0.096 1 0 "[ . 1 . 2]" 1
567 1 92 LEU H 1 93 ARG H . . 3.520 2.899 2.500 3.332 . 0 0 "[ . 1 . 2]" 1
568 1 92 LEU H 1 93 ARG HA . . 5.020 5.056 4.669 5.115 0.095 1 0 "[ . 1 . 2]" 1
569 1 92 LEU HA 1 95 THR HB . . 3.190 2.868 2.071 3.280 0.090 12 0 "[ . 1 . 2]" 1
570 1 92 LEU HB3 1 95 THR HB . . 4.840 3.120 2.066 4.287 . 0 0 "[ . 1 . 2]" 1
571 1 92 LEU QD 1 93 ARG H . . 5.300 4.259 3.694 4.624 . 0 0 "[ . 1 . 2]" 1
572 1 92 LEU QD 1 95 THR H . . 4.750 4.318 3.794 4.664 . 0 0 "[ . 1 . 2]" 1
573 1 92 LEU QD 1 95 THR HB . . 3.400 2.980 2.345 3.433 0.033 16 0 "[ . 1 . 2]" 1
574 1 93 ARG H 1 94 ALA H . . 3.260 2.912 2.670 3.297 0.037 11 0 "[ . 1 . 2]" 1
575 1 94 ALA H 1 94 ALA MB . . 2.910 2.270 2.212 2.377 . 0 0 "[ . 1 . 2]" 1
576 1 94 ALA H 1 95 THR H . . 3.370 2.622 2.240 3.106 . 0 0 "[ . 1 . 2]" 1
577 1 94 ALA H 1 96 ALA H . . 5.090 4.228 3.549 4.950 . 0 0 "[ . 1 . 2]" 1
578 1 94 ALA MB 1 95 THR H . . 3.330 2.535 2.114 3.270 . 0 0 "[ . 1 . 2]" 1
579 1 95 THR H 1 95 THR HB . . 3.200 2.626 2.440 2.854 . 0 0 "[ . 1 . 2]" 1
580 1 95 THR H 1 95 THR MG . . 3.810 3.668 3.555 3.782 . 0 0 "[ . 1 . 2]" 1
581 1 95 THR H 1 96 ALA H . . 3.900 2.923 2.709 3.189 . 0 0 "[ . 1 . 2]" 1
582 1 95 THR HB 1 96 ALA H . . 3.150 2.663 1.944 3.029 . 0 0 "[ . 1 . 2]" 1
583 1 95 THR MG 1 96 ALA H . . 3.950 3.715 2.842 4.009 0.059 8 0 "[ . 1 . 2]" 1
584 1 95 THR MG 1 96 ALA HA . . 4.810 3.978 3.407 4.369 . 0 0 "[ . 1 . 2]" 1
585 1 95 THR MG 1 99 GLN H . . 5.250 3.812 2.934 4.696 . 0 0 "[ . 1 . 2]" 1
586 1 95 THR MG 1 99 GLN HE21 . . 3.790 2.728 2.130 3.355 . 0 0 "[ . 1 . 2]" 1
587 1 95 THR MG 1 99 GLN HE22 . . 3.630 3.588 3.007 3.869 0.239 7 0 "[ . 1 . 2]" 1
588 1 95 THR MG 1 99 GLN HG3 . . 4.100 2.666 2.134 4.110 0.010 19 0 "[ . 1 . 2]" 1
589 1 96 ALA H 1 96 ALA MB . . 3.200 2.181 2.037 2.426 . 0 0 "[ . 1 . 2]" 1
590 1 96 ALA H 1 97 ARG H . . 3.530 3.009 2.758 3.630 0.100 16 0 "[ . 1 . 2]" 1
591 1 96 ALA HA 1 99 GLN H . . 3.980 3.882 3.331 4.051 0.071 7 0 "[ . 1 . 2]" 1
592 1 96 ALA HA 1 99 GLN HG3 . . 4.460 3.758 2.256 4.525 0.065 1 0 "[ . 1 . 2]" 1
593 1 96 ALA MB 1 97 ARG H . . 3.480 2.655 2.185 3.057 . 0 0 "[ . 1 . 2]" 1
594 1 97 ARG H 1 97 ARG HB3 . . 3.830 2.715 2.110 3.669 . 0 0 "[ . 1 . 2]" 1
595 1 97 ARG H 1 98 GLU H . . 3.510 2.454 2.225 2.722 . 0 0 "[ . 1 . 2]" 1
596 1 97 ARG HB3 1 98 GLU H . . 4.500 3.761 2.436 4.338 . 0 0 "[ . 1 . 2]" 1
597 1 98 GLU H 1 98 GLU HB3 . . 3.330 3.400 3.349 3.415 0.085 11 0 "[ . 1 . 2]" 1
598 1 98 GLU H 1 98 GLU HG3 . . 3.580 2.987 2.435 3.665 0.085 10 0 "[ . 1 . 2]" 1
599 1 98 GLU H 1 99 GLN H . . 3.390 2.852 2.310 3.110 . 0 0 "[ . 1 . 2]" 1
600 1 98 GLU HA 1 98 GLU HG3 . . 2.900 3.150 2.262 3.505 0.605 9 8 "[* *- *+* . **2]" 1
601 1 98 GLU HA 1 101 ILE H . . 3.740 3.568 3.002 3.812 0.072 8 0 "[ . 1 . 2]" 1
602 1 98 GLU HA 1 101 ILE HB . . 3.410 2.914 2.391 3.497 0.087 18 0 "[ . 1 . 2]" 1
603 1 98 GLU HA 1 101 ILE MD . . 3.790 3.315 2.535 3.901 0.111 5 0 "[ . 1 . 2]" 1
604 1 99 GLN H 1 99 GLN HE21 . . 5.450 4.728 2.477 5.457 0.007 8 0 "[ . 1 . 2]" 1
605 1 99 GLN H 1 99 GLN HG3 . . 3.420 2.608 1.937 3.692 0.272 10 0 "[ . 1 . 2]" 1
606 1 99 GLN HA 1 99 GLN HE22 . . 5.500 5.419 3.454 6.402 0.902 19 1 "[ . 1 . +2]" 1
607 1 99 GLN HA 1 99 GLN HG3 . . 3.550 3.190 2.782 3.620 0.070 7 0 "[ . 1 . 2]" 1
608 1 99 GLN HE22 1 99 GLN HG3 . . 3.860 3.753 3.444 4.059 0.199 10 0 "[ . 1 . 2]" 1
609 1 100 ILE H 1 100 ILE MD . . 3.850 3.374 2.993 3.934 0.084 19 0 "[ . 1 . 2]" 1
610 1 100 ILE H 1 100 ILE HG13 . . 3.770 3.575 3.418 3.744 . 0 0 "[ . 1 . 2]" 1
611 1 100 ILE H 1 100 ILE MG . . 4.480 3.782 3.660 3.831 . 0 0 "[ . 1 . 2]" 1
612 1 100 ILE HA 1 100 ILE MD . . 3.000 2.315 2.152 2.532 . 0 0 "[ . 1 . 2]" 1
613 1 100 ILE HA 1 100 ILE MG . . 3.250 2.413 2.259 2.665 . 0 0 "[ . 1 . 2]" 1
614 1 100 ILE HA 1 103 GLU H . . 3.890 3.465 2.946 3.934 0.044 14 0 "[ . 1 . 2]" 1
615 1 100 ILE HA 1 103 GLU HB3 . . 3.840 4.488 3.771 5.473 1.633 10 9 "[* - * * +* * * *2]" 1
616 1 100 ILE HB 1 101 ILE H . . 3.070 2.543 2.299 2.792 . 0 0 "[ . 1 . 2]" 1
617 1 100 ILE HB 1 102 SER H . . 4.500 4.582 4.565 4.590 0.090 6 0 "[ . 1 . 2]" 1
618 1 100 ILE MD 1 100 ILE MG . . 3.140 2.113 2.020 2.280 . 0 0 "[ . 1 . 2]" 1
619 1 100 ILE MG 1 101 ILE H . . 3.660 3.512 3.144 3.743 0.083 9 0 "[ . 1 . 2]" 1
620 1 101 ILE H 1 101 ILE HB . . 3.050 2.377 2.180 2.647 . 0 0 "[ . 1 . 2]" 1
621 1 101 ILE H 1 101 ILE MD . . 3.890 3.456 2.804 3.871 . 0 0 "[ . 1 . 2]" 1
622 1 101 ILE H 1 101 ILE HG13 . . 3.600 2.419 2.090 3.620 0.020 9 0 "[ . 1 . 2]" 1
623 1 101 ILE H 1 101 ILE MG . . 3.840 3.745 3.657 3.826 . 0 0 "[ . 1 . 2]" 1
624 1 101 ILE H 1 102 SER H . . 3.320 2.464 2.072 2.673 . 0 0 "[ . 1 . 2]" 1
625 1 101 ILE HA 1 101 ILE HG13 . . 3.540 3.039 2.800 3.634 0.094 9 0 "[ . 1 . 2]" 1
626 1 101 ILE HA 1 101 ILE MG . . 3.090 2.484 2.284 2.591 . 0 0 "[ . 1 . 2]" 1
627 1 101 ILE HA 1 104 ILE H . . 4.650 4.651 4.456 4.726 0.076 11 0 "[ . 1 . 2]" 1
628 1 101 ILE HA 1 104 ILE MD . . 3.380 2.723 2.100 3.462 0.082 19 0 "[ . 1 . 2]" 1
629 1 101 ILE HB 1 101 ILE MD . . 3.660 2.515 2.295 3.299 . 0 0 "[ . 1 . 2]" 1
630 1 101 ILE HB 1 102 SER H . . 3.440 3.248 2.879 3.505 0.065 7 0 "[ . 1 . 2]" 1
631 1 101 ILE MD 1 101 ILE MG . . 3.120 2.108 2.048 2.256 . 0 0 "[ . 1 . 2]" 1
632 1 101 ILE MD 1 102 SER H . . 5.430 4.996 4.474 5.374 . 0 0 "[ . 1 . 2]" 1
633 1 101 ILE MG 1 102 SER H . . 3.930 3.914 3.611 4.017 0.087 4 0 "[ . 1 . 2]" 1
634 1 101 ILE MG 1 102 SER HA . . 3.950 3.984 3.702 4.060 0.110 4 0 "[ . 1 . 2]" 1
635 1 102 SER H 1 102 SER HB3 . . 2.920 2.775 2.442 3.018 0.098 10 0 "[ . 1 . 2]" 1
636 1 102 SER HB3 1 103 GLU H . . 3.880 3.483 2.426 3.955 0.075 20 0 "[ . 1 . 2]" 1
637 1 102 SER HB3 1 103 GLU HG3 . . 4.280 3.026 2.249 3.898 . 0 0 "[ . 1 . 2]" 1
638 1 103 GLU H 1 103 GLU HB3 . . 3.140 3.698 3.557 3.863 0.723 5 14 "[ ** +-* *** * *** **]" 1
639 1 103 GLU H 1 103 GLU HG3 . . 3.550 3.275 2.554 3.529 . 0 0 "[ . 1 . 2]" 1
640 1 103 GLU H 1 104 ILE H . . 3.260 2.726 2.221 3.337 0.077 17 0 "[ . 1 . 2]" 1
641 1 103 GLU H 1 104 ILE HA . . 4.280 4.307 4.006 4.362 0.082 14 0 "[ . 1 . 2]" 1
642 1 103 GLU H 1 104 ILE MD . . 5.340 4.173 3.030 5.305 . 0 0 "[ . 1 . 2]" 1
643 1 103 GLU HA 1 103 GLU HG3 . . 3.360 2.963 2.713 3.356 . 0 0 "[ . 1 . 2]" 1
644 1 104 ILE H 1 104 ILE HB . . 3.070 2.579 2.314 2.940 . 0 0 "[ . 1 . 2]" 1
645 1 104 ILE H 1 104 ILE MD . . 4.060 3.182 1.637 3.697 . 0 0 "[ . 1 . 2]" 1
646 1 104 ILE H 1 104 ILE HG13 . . 3.440 2.654 1.785 3.665 0.225 12 0 "[ . 1 . 2]" 1
647 1 104 ILE H 1 104 ILE MG . . 3.730 3.765 3.675 3.808 0.078 12 0 "[ . 1 . 2]" 1
648 1 104 ILE HA 1 104 ILE HG13 . . 3.680 3.275 2.417 4.019 0.339 6 0 "[ . 1 . 2]" 1
649 1 104 ILE HA 1 104 ILE MG . . 3.140 2.404 2.235 2.695 . 0 0 "[ . 1 . 2]" 1
650 1 104 ILE HB 1 104 ILE MD . . 3.270 2.669 2.282 3.298 0.028 12 0 "[ . 1 . 2]" 1
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