NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621459 |
5tce   |
30180 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tce
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 346
_Distance_constraint_stats_list.Viol_count 1611
_Distance_constraint_stats_list.Viol_total 2626.940
_Distance_constraint_stats_list.Viol_max 1.049
_Distance_constraint_stats_list.Viol_rms 0.0680
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0190
_Distance_constraint_stats_list.Viol_average_violations_only 0.0815
_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 1 GLY 1.103 0.039 9 0 "[ . 1 . 2]"
1 2 ASP 4.528 0.103 7 0 "[ . 1 . 2]"
1 3 GLU 9.044 0.171 1 0 "[ . 1 . 2]"
1 4 ARG 2.896 0.147 3 0 "[ . 1 . 2]"
1 5 PHE 3.040 0.068 1 0 "[ . 1 . 2]"
1 6 TYR 3.196 0.067 7 0 "[ . 1 . 2]"
1 7 ALA 1.430 0.088 20 0 "[ . 1 . 2]"
1 8 GLU 1.779 0.066 19 0 "[ . 1 . 2]"
1 9 HIS 4.074 0.140 1 0 "[ . 1 . 2]"
1 10 LEU 7.705 0.140 1 0 "[ . 1 . 2]"
1 11 MET 5.542 0.279 14 0 "[ . 1 . 2]"
1 12 PRO 7.142 0.279 14 0 "[ . 1 . 2]"
1 13 THR 6.796 0.176 5 0 "[ . 1 . 2]"
1 14 LEU 2.813 0.191 13 0 "[ . 1 . 2]"
1 15 GLN 6.885 0.245 17 0 "[ . 1 . 2]"
1 16 GLY 4.185 0.191 13 0 "[ . 1 . 2]"
1 17 LEU 8.146 0.201 12 0 "[ . 1 . 2]"
1 18 LEU 10.175 0.245 17 0 "[ . 1 . 2]"
1 19 ASP 7.812 0.146 20 0 "[ . 1 . 2]"
1 20 PRO 1.899 0.241 12 0 "[ . 1 . 2]"
1 21 GLU 10.774 0.383 16 0 "[ . 1 . 2]"
1 22 SER 10.410 0.383 16 0 "[ . 1 . 2]"
1 23 ALA 3.998 0.166 15 0 "[ . 1 . 2]"
1 24 HIS 10.105 0.186 3 0 "[ . 1 . 2]"
1 25 ARG 12.044 0.269 16 0 "[ . 1 . 2]"
1 26 LEU 7.988 0.272 18 0 "[ . 1 . 2]"
1 27 ALA 3.266 0.112 16 0 "[ . 1 . 2]"
1 28 VAL 4.051 0.186 3 0 "[ . 1 . 2]"
1 29 ARG 3.900 0.262 18 0 "[ . 1 . 2]"
1 30 PHE 22.202 1.049 1 14 "[+** *****1*** .-** 2]"
1 31 THR 32.602 1.049 1 19 "[+************ *****-]"
1 32 SER 5.737 0.504 4 5 "[ +. * * *-]"
1 33 LEU 6.009 0.264 16 0 "[ . 1 . 2]"
1 34 GLY 1.077 0.195 16 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 1 GLY H1 1 1 GLY QA . . 3.200 2.099 2.098 2.100 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 ASP H . . 3.520 2.126 2.119 2.135 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 3 GLU H . . 4.410 4.429 4.422 4.436 0.026 1 0 "[ . 1 . 2]" 1
4 1 1 GLY QA 1 4 ARG H . . 3.760 3.740 3.737 3.744 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY QA 1 5 PHE H . . 4.230 3.897 3.855 3.923 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY QA 1 5 PHE QD . . 5.500 2.553 2.525 2.667 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY QA 1 6 TYR HE1 . . 5.500 5.536 5.531 5.539 0.039 9 0 "[ . 1 . 2]" 1
8 1 2 ASP H 1 2 ASP HA . . 2.870 2.972 2.968 2.973 0.103 7 0 "[ . 1 . 2]" 1
9 1 2 ASP H 1 2 ASP HB2 . . 3.750 3.155 2.657 3.723 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP H 1 2 ASP HB3 . . 3.820 3.240 2.703 3.834 0.014 13 0 "[ . 1 . 2]" 1
11 1 2 ASP H 1 3 GLU H . . 3.870 2.497 2.482 2.518 . 0 0 "[ . 1 . 2]" 1
12 1 2 ASP H 1 3 GLU HA . . 5.000 4.773 4.764 4.777 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP H 1 3 GLU QB . . 5.500 4.360 4.269 4.450 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP H 1 4 ARG H . . 5.000 2.484 2.439 2.499 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP H 1 5 PHE H . . 5.000 3.189 3.100 3.213 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP H 1 5 PHE HA . . 5.500 5.410 5.350 5.428 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP H 1 6 TYR H . . 5.000 4.452 4.432 4.460 . 0 0 "[ . 1 . 2]" 1
18 1 2 ASP HA 1 2 ASP HB3 . . 3.100 2.783 2.287 3.039 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP HA 1 3 GLU H . . 3.510 3.585 3.583 3.586 0.076 4 0 "[ . 1 . 2]" 1
20 1 2 ASP HA 1 4 ARG H . . 4.450 4.394 4.360 4.410 . 0 0 "[ . 1 . 2]" 1
21 1 2 ASP HA 1 5 PHE H . . 3.730 3.778 3.770 3.785 0.055 7 0 "[ . 1 . 2]" 1
22 1 2 ASP HA 1 5 PHE QB . . 3.540 3.059 3.043 3.101 . 0 0 "[ . 1 . 2]" 1
23 1 2 ASP HB2 1 3 GLU H . . 5.000 2.970 2.091 3.640 . 0 0 "[ . 1 . 2]" 1
24 1 2 ASP HB3 1 3 GLU H . . 5.000 2.500 1.947 3.709 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU H 1 3 GLU HA . . 2.740 2.908 2.907 2.911 0.171 1 0 "[ . 1 . 2]" 1
26 1 3 GLU H 1 3 GLU HG2 . . 3.500 3.412 3.279 3.509 0.009 1 0 "[ . 1 . 2]" 1
27 1 3 GLU H 1 3 GLU HG3 . . 3.500 2.286 2.017 2.683 . 0 0 "[ . 1 . 2]" 1
28 1 3 GLU H 1 4 ARG H . . 3.660 2.434 2.427 2.437 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU H 1 4 ARG HA . . 5.000 5.144 5.135 5.147 0.147 3 0 "[ . 1 . 2]" 1
30 1 3 GLU H 1 4 ARG QB . . 5.000 4.419 4.183 4.873 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLU H 1 5 PHE H . . 5.000 3.797 3.791 3.809 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU H 1 6 TYR H . . 5.000 4.584 4.576 4.608 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLU HA 1 3 GLU HG2 . . 3.230 2.537 2.306 2.694 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLU HA 1 3 GLU HG3 . . 3.230 3.179 3.062 3.241 0.011 16 0 "[ . 1 . 2]" 1
35 1 3 GLU HA 1 4 ARG H . . 3.830 3.467 3.453 3.473 . 0 0 "[ . 1 . 2]" 1
36 1 3 GLU HA 1 5 PHE H . . 4.090 3.843 3.833 3.876 . 0 0 "[ . 1 . 2]" 1
37 1 3 GLU HA 1 6 TYR H . . 3.630 3.674 3.671 3.679 0.049 13 0 "[ . 1 . 2]" 1
38 1 3 GLU HA 1 7 ALA H . . 3.880 3.840 3.821 3.859 . 0 0 "[ . 1 . 2]" 1
39 1 4 ARG H 1 4 ARG HE . . 5.000 4.167 2.974 5.008 0.008 3 0 "[ . 1 . 2]" 1
40 1 4 ARG H 1 5 PHE H . . 3.320 2.231 2.185 2.245 . 0 0 "[ . 1 . 2]" 1
41 1 4 ARG H 1 6 TYR H . . 4.500 3.747 3.693 3.765 . 0 0 "[ . 1 . 2]" 1
42 1 4 ARG HA 1 4 ARG QB . . 2.620 2.417 2.172 2.547 . 0 0 "[ . 1 . 2]" 1
43 1 4 ARG HA 1 4 ARG HE . . 5.000 4.085 2.451 4.923 . 0 0 "[ . 1 . 2]" 1
44 1 4 ARG HA 1 4 ARG QG . . 3.890 2.534 2.043 3.402 . 0 0 "[ . 1 . 2]" 1
45 1 4 ARG HA 1 5 PHE H . . 3.650 3.266 3.259 3.285 . 0 0 "[ . 1 . 2]" 1
46 1 4 ARG HA 1 5 PHE QB . . 5.920 5.177 5.169 5.183 . 0 0 "[ . 1 . 2]" 1
47 1 4 ARG HA 1 6 TYR H . . 4.560 4.374 4.311 4.403 . 0 0 "[ . 1 . 2]" 1
48 1 4 ARG HA 1 7 ALA H . . 4.160 3.837 3.789 3.864 . 0 0 "[ . 1 . 2]" 1
49 1 5 PHE H 1 5 PHE QD . . 5.000 3.033 3.028 3.075 . 0 0 "[ . 1 . 2]" 1
50 1 5 PHE H 1 5 PHE QE . . 5.300 5.326 5.323 5.362 0.062 1 0 "[ . 1 . 2]" 1
51 1 5 PHE H 1 6 TYR H . . 3.700 1.840 1.832 1.852 . 0 0 "[ . 1 . 2]" 1
52 1 5 PHE H 1 8 GLU H . . 3.750 3.656 3.628 3.713 . 0 0 "[ . 1 . 2]" 1
53 1 5 PHE H 1 9 HIS H . . 4.620 4.672 4.668 4.688 0.068 1 0 "[ . 1 . 2]" 1
54 1 5 PHE HA 1 5 PHE HZ . . 5.700 5.716 5.702 5.719 0.019 20 0 "[ . 1 . 2]" 1
55 1 5 PHE HA 1 6 TYR H . . 3.700 3.485 3.470 3.491 . 0 0 "[ . 1 . 2]" 1
56 1 5 PHE HA 1 7 ALA H . . 5.000 4.196 4.187 4.211 . 0 0 "[ . 1 . 2]" 1
57 1 5 PHE HA 1 7 ALA MB . . 5.800 5.807 5.776 5.821 0.021 1 0 "[ . 1 . 2]" 1
58 1 5 PHE HA 1 8 GLU H . . 3.910 3.723 3.707 3.769 . 0 0 "[ . 1 . 2]" 1
59 1 5 PHE HA 1 9 HIS H . . 4.230 3.318 3.308 3.342 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR H 1 7 ALA H . . 3.710 2.132 2.084 2.152 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR H 1 8 GLU H . . 4.740 3.407 3.376 3.421 . 0 0 "[ . 1 . 2]" 1
62 1 6 TYR HA 1 6 TYR QB . . 2.750 2.349 2.344 2.354 . 0 0 "[ . 1 . 2]" 1
63 1 6 TYR HA 1 6 TYR HE1 . . 4.390 4.453 4.450 4.457 0.067 7 0 "[ . 1 . 2]" 1
64 1 6 TYR HA 1 7 ALA H . . 3.920 3.434 3.422 3.444 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR HA 1 8 GLU H . . 4.540 4.557 4.553 4.560 0.020 14 0 "[ . 1 . 2]" 1
66 1 6 TYR HA 1 9 HIS H . . 4.540 4.056 4.052 4.059 . 0 0 "[ . 1 . 2]" 1
67 1 6 TYR HA 1 9 HIS QB . . 4.880 4.154 4.145 4.186 . 0 0 "[ . 1 . 2]" 1
68 1 6 TYR HA 1 10 LEU H . . 4.760 4.497 4.455 4.581 . 0 0 "[ . 1 . 2]" 1
69 1 7 ALA H 1 8 GLU H . . 3.600 1.861 1.849 1.870 . 0 0 "[ . 1 . 2]" 1
70 1 7 ALA H 1 9 HIS H . . 5.000 3.158 3.135 3.182 . 0 0 "[ . 1 . 2]" 1
71 1 7 ALA H 1 10 LEU H . . 4.470 4.392 4.351 4.476 0.006 20 0 "[ . 1 . 2]" 1
72 1 7 ALA HA 1 8 GLU H . . 3.570 3.470 3.468 3.472 . 0 0 "[ . 1 . 2]" 1
73 1 7 ALA HA 1 9 HIS H . . 4.290 4.059 4.034 4.104 . 0 0 "[ . 1 . 2]" 1
74 1 7 ALA HA 1 10 LEU H . . 3.720 3.781 3.767 3.808 0.088 20 0 "[ . 1 . 2]" 1
75 1 7 ALA HA 1 10 LEU QB . . 3.990 3.277 3.209 3.327 . 0 0 "[ . 1 . 2]" 1
76 1 7 ALA HA 1 10 LEU MD1 . . 4.940 4.793 4.534 4.935 . 0 0 "[ . 1 . 2]" 1
77 1 7 ALA HA 1 11 MET H . . 4.870 3.091 3.057 3.124 . 0 0 "[ . 1 . 2]" 1
78 1 8 GLU H 1 9 HIS H . . 3.810 2.108 2.099 2.120 . 0 0 "[ . 1 . 2]" 1
79 1 8 GLU H 1 10 LEU H . . 4.270 3.697 3.674 3.755 . 0 0 "[ . 1 . 2]" 1
80 1 8 GLU HA 1 9 HIS H . . 3.390 3.371 3.364 3.391 0.001 1 0 "[ . 1 . 2]" 1
81 1 8 GLU HA 1 10 LEU H . . 3.890 3.950 3.939 3.956 0.066 19 0 "[ . 1 . 2]" 1
82 1 8 GLU HA 1 11 MET H . . 4.650 4.340 4.327 4.382 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLU HA 1 11 MET QB . . 4.010 4.022 4.016 4.048 0.038 13 0 "[ . 1 . 2]" 1
84 1 9 HIS H 1 10 LEU H . . 3.610 2.111 2.098 2.142 . 0 0 "[ . 1 . 2]" 1
85 1 9 HIS H 1 10 LEU HA . . 4.520 4.644 4.640 4.660 0.140 1 0 "[ . 1 . 2]" 1
86 1 9 HIS H 1 11 MET H . . 5.000 3.693 3.670 3.748 . 0 0 "[ . 1 . 2]" 1
87 1 9 HIS H 1 12 PRO HD2 . . 5.000 3.721 3.695 3.763 . 0 0 "[ . 1 . 2]" 1
88 1 9 HIS H 1 12 PRO HD3 . . 5.000 4.958 4.918 4.999 . 0 0 "[ . 1 . 2]" 1
89 1 9 HIS HA 1 10 LEU H . . 4.040 3.123 3.092 3.132 . 0 0 "[ . 1 . 2]" 1
90 1 9 HIS HA 1 11 MET H . . 4.790 4.818 4.812 4.844 0.054 20 0 "[ . 1 . 2]" 1
91 1 9 HIS HA 1 13 THR H . . 5.000 4.556 4.494 4.787 . 0 0 "[ . 1 . 2]" 1
92 1 10 LEU H 1 11 MET H . . 3.380 1.926 1.915 1.939 . 0 0 "[ . 1 . 2]" 1
93 1 10 LEU H 1 12 PRO HD2 . . 4.810 2.295 2.269 2.304 . 0 0 "[ . 1 . 2]" 1
94 1 10 LEU H 1 12 PRO HD3 . . 5.000 3.918 3.900 3.930 . 0 0 "[ . 1 . 2]" 1
95 1 10 LEU H 1 13 THR H . . 3.790 3.845 3.834 3.908 0.118 20 0 "[ . 1 . 2]" 1
96 1 10 LEU HA 1 10 LEU MD1 . . 4.220 3.215 2.604 3.785 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU HA 1 10 LEU MD2 . . 3.210 2.428 1.893 3.153 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU HA 1 10 LEU HG . . 3.710 2.827 2.146 3.679 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU HA 1 11 MET H . . 3.560 3.565 3.563 3.568 0.008 17 0 "[ . 1 . 2]" 1
100 1 10 LEU HA 1 13 THR H . . 3.660 3.740 3.731 3.778 0.118 13 0 "[ . 1 . 2]" 1
101 1 11 MET H 1 12 PRO HD2 . . 4.060 1.937 1.924 1.966 . 0 0 "[ . 1 . 2]" 1
102 1 11 MET H 1 12 PRO HD3 . . 4.040 3.048 3.030 3.089 . 0 0 "[ . 1 . 2]" 1
103 1 11 MET H 1 13 THR H . . 5.000 3.627 3.617 3.672 . 0 0 "[ . 1 . 2]" 1
104 1 11 MET H 1 15 GLN H . . 5.300 5.347 5.337 5.362 0.062 19 0 "[ . 1 . 2]" 1
105 1 11 MET HA 1 12 PRO QB . . 5.510 5.582 5.578 5.585 0.075 2 0 "[ . 1 . 2]" 1
106 1 11 MET HA 1 13 THR H . . 3.840 3.863 3.756 3.881 0.041 5 0 "[ . 1 . 2]" 1
107 1 11 MET HA 1 14 LEU H . . 3.850 3.832 3.637 3.862 0.012 19 0 "[ . 1 . 2]" 1
108 1 11 MET HA 1 15 GLN H . . 4.000 3.504 3.240 3.591 . 0 0 "[ . 1 . 2]" 1
109 1 11 MET HA 1 15 GLN QB . . 4.010 3.111 2.821 3.188 . 0 0 "[ . 1 . 2]" 1
110 1 11 MET QB 1 12 PRO HA . . 3.980 3.741 3.736 3.746 . 0 0 "[ . 1 . 2]" 1
111 1 11 MET QG 1 12 PRO QB . . 5.380 5.455 5.399 5.659 0.279 14 0 "[ . 1 . 2]" 1
112 1 12 PRO HA 1 12 PRO QD . . 4.140 3.379 3.374 3.383 . 0 0 "[ . 1 . 2]" 1
113 1 12 PRO HA 1 12 PRO QG . . 3.580 3.520 3.519 3.522 . 0 0 "[ . 1 . 2]" 1
114 1 12 PRO HA 1 13 THR HB . . 5.580 5.752 5.734 5.756 0.176 5 0 "[ . 1 . 2]" 1
115 1 12 PRO HA 1 15 GLN QB . . 4.690 4.254 4.065 4.350 . 0 0 "[ . 1 . 2]" 1
116 1 12 PRO HA 1 15 GLN QE . . 5.300 5.036 5.017 5.097 . 0 0 "[ . 1 . 2]" 1
117 1 12 PRO HA 1 16 GLY H . . 5.000 4.031 2.680 4.362 . 0 0 "[ . 1 . 2]" 1
118 1 12 PRO HD2 1 13 THR H . . 4.590 2.840 2.816 2.950 . 0 0 "[ . 1 . 2]" 1
119 1 12 PRO HD2 1 15 GLN H . . 5.310 5.276 5.251 5.420 0.110 17 0 "[ . 1 . 2]" 1
120 1 12 PRO HD3 1 13 THR H . . 5.000 3.949 3.940 4.001 . 0 0 "[ . 1 . 2]" 1
121 1 12 PRO HD3 1 15 GLN H . . 5.710 5.741 5.708 5.805 0.095 17 0 "[ . 1 . 2]" 1
122 1 13 THR H 1 13 THR HB . . 3.610 2.448 2.440 2.497 . 0 0 "[ . 1 . 2]" 1
123 1 13 THR H 1 14 LEU H . . 3.790 2.277 2.088 2.306 . 0 0 "[ . 1 . 2]" 1
124 1 13 THR H 1 15 GLN H . . 5.000 3.187 3.125 3.436 . 0 0 "[ . 1 . 2]" 1
125 1 13 THR H 1 16 GLY H . . 5.000 4.464 3.353 4.782 . 0 0 "[ . 1 . 2]" 1
126 1 13 THR HA 1 13 THR HG1 . . 3.450 2.820 2.814 2.841 . 0 0 "[ . 1 . 2]" 1
127 1 13 THR HA 1 14 LEU H . . 3.680 3.578 3.550 3.582 . 0 0 "[ . 1 . 2]" 1
128 1 13 THR HA 1 15 GLN H . . 5.000 4.405 4.258 4.983 . 0 0 "[ . 1 . 2]" 1
129 1 13 THR HB 1 14 LEU H . . 3.560 2.463 2.427 2.679 . 0 0 "[ . 1 . 2]" 1
130 1 13 THR HB 1 15 GLN QE . . 5.490 5.065 4.861 5.099 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU H 1 15 GLN H . . 3.870 2.325 2.167 2.353 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU H 1 15 GLN HA . . 5.000 5.067 4.938 5.092 0.092 14 0 "[ . 1 . 2]" 1
133 1 14 LEU H 1 16 GLY H . . 5.000 4.174 3.243 4.430 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU H 1 17 LEU H . . 5.000 4.693 4.578 5.006 0.006 20 0 "[ . 1 . 2]" 1
135 1 14 LEU HA 1 14 LEU MD1 . . 3.750 2.998 2.027 3.748 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU HA 1 14 LEU HG . . 3.720 2.432 2.134 3.658 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HA 1 15 GLN H . . 3.840 3.481 3.448 3.552 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU HA 1 16 GLY H . . 4.180 4.241 4.198 4.371 0.191 13 0 "[ . 1 . 2]" 1
139 1 15 GLN H 1 16 GLY H . . 4.010 2.627 1.955 2.802 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLN H 1 16 GLY HA2 . . 5.300 4.855 4.604 4.937 . 0 0 "[ . 1 . 2]" 1
141 1 15 GLN H 1 17 LEU H . . 5.000 3.877 3.838 3.958 . 0 0 "[ . 1 . 2]" 1
142 1 15 GLN H 1 18 LEU H . . 5.210 5.273 5.236 5.455 0.245 17 0 "[ . 1 . 2]" 1
143 1 15 GLN HA 1 15 GLN QE . . 5.000 3.577 3.328 3.700 . 0 0 "[ . 1 . 2]" 1
144 1 15 GLN HA 1 15 GLN QG . . 4.010 2.297 2.192 2.415 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLN HA 1 16 GLY H . . 3.470 2.879 2.752 3.453 . 0 0 "[ . 1 . 2]" 1
146 1 15 GLN HA 1 17 LEU H . . 4.480 4.409 3.527 4.568 0.088 12 0 "[ . 1 . 2]" 1
147 1 15 GLN HA 1 18 LEU H . . 4.730 4.284 3.724 4.429 . 0 0 "[ . 1 . 2]" 1
148 1 15 GLN HA 1 19 ASP H . . 4.660 4.711 4.648 4.802 0.142 20 0 "[ . 1 . 2]" 1
149 1 15 GLN QB 1 16 GLY QA . . 4.880 3.974 3.737 4.016 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLY H 1 17 LEU H . . 3.540 1.931 1.808 2.544 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLY H 1 17 LEU HA . . 5.000 4.581 4.474 5.126 0.126 17 0 "[ . 1 . 2]" 1
152 1 16 GLY H 1 18 LEU H . . 4.630 2.868 2.568 4.178 . 0 0 "[ . 1 . 2]" 1
153 1 16 GLY QA 1 18 LEU QD . . 4.730 4.183 4.048 4.402 . 0 0 "[ . 1 . 2]" 1
154 1 16 GLY HA2 1 17 LEU H . . 3.790 3.517 3.390 3.545 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLY HA2 1 17 LEU QD . . 5.000 4.810 4.660 5.035 0.035 6 0 "[ . 1 . 2]" 1
156 1 16 GLY HA2 1 18 LEU H . . 4.530 3.670 3.508 3.715 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLY HA2 1 19 ASP H . . 3.960 3.326 3.143 3.383 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLY HA3 1 17 LEU H . . 3.500 2.937 2.878 3.183 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLY HA3 1 18 LEU H . . 4.310 4.238 4.203 4.366 0.056 17 0 "[ . 1 . 2]" 1
160 1 16 GLY HA3 1 19 ASP H . . 4.480 4.599 4.555 4.622 0.142 19 0 "[ . 1 . 2]" 1
161 1 17 LEU H 1 18 LEU H . . 3.460 2.462 2.389 2.516 . 0 0 "[ . 1 . 2]" 1
162 1 17 LEU H 1 18 LEU HA . . 5.000 5.143 5.087 5.201 0.201 12 0 "[ . 1 . 2]" 1
163 1 17 LEU H 1 19 ASP H . . 5.000 3.992 3.863 4.168 . 0 0 "[ . 1 . 2]" 1
164 1 17 LEU HA 1 17 LEU MD1 . . 4.050 2.456 1.901 3.982 . 0 0 "[ . 1 . 2]" 1
165 1 17 LEU HA 1 17 LEU HG . . 3.670 3.117 2.349 3.637 . 0 0 "[ . 1 . 2]" 1
166 1 17 LEU HA 1 18 LEU H . . 4.110 3.309 3.292 3.359 . 0 0 "[ . 1 . 2]" 1
167 1 17 LEU HA 1 18 LEU MD1 . . 5.000 4.792 4.633 4.925 . 0 0 "[ . 1 . 2]" 1
168 1 17 LEU HA 1 18 LEU HG . . 4.350 4.419 4.409 4.444 0.094 15 0 "[ . 1 . 2]" 1
169 1 17 LEU QB 1 18 LEU HA . . 4.380 4.485 4.446 4.517 0.137 19 0 "[ . 1 . 2]" 1
170 1 18 LEU H 1 19 ASP H . . 4.080 1.928 1.879 2.106 . 0 0 "[ . 1 . 2]" 1
171 1 18 LEU H 1 19 ASP HA . . 5.000 4.141 4.122 4.166 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU HA 1 18 LEU MD1 . . 3.480 3.540 3.519 3.549 0.069 16 0 "[ . 1 . 2]" 1
173 1 18 LEU HA 1 18 LEU HG . . 3.660 3.538 3.504 3.592 . 0 0 "[ . 1 . 2]" 1
174 1 18 LEU HA 1 19 ASP H . . 3.030 2.991 2.869 3.038 0.008 13 0 "[ . 1 . 2]" 1
175 1 18 LEU HA 1 19 ASP QB . . 5.000 4.844 4.754 4.874 . 0 0 "[ . 1 . 2]" 1
176 1 18 LEU HA 1 23 ALA H . . 5.000 4.492 3.928 4.557 . 0 0 "[ . 1 . 2]" 1
177 1 18 LEU HA 1 23 ALA MB . . 5.500 1.976 1.827 2.010 . 0 0 "[ . 1 . 2]" 1
178 1 18 LEU HA 1 24 HIS H . . 5.490 5.509 5.357 5.559 0.069 11 0 "[ . 1 . 2]" 1
179 1 18 LEU QB 1 20 PRO QD . . 5.500 5.283 5.173 5.494 . 0 0 "[ . 1 . 2]" 1
180 1 18 LEU MD2 1 19 ASP HA . . 5.670 5.702 5.694 5.713 0.043 15 0 "[ . 1 . 2]" 1
181 1 19 ASP H 1 22 SER HA . . 5.500 5.610 5.523 5.646 0.146 20 0 "[ . 1 . 2]" 1
182 1 19 ASP HA 1 20 PRO QB . . 4.530 4.552 4.542 4.574 0.044 15 0 "[ . 1 . 2]" 1
183 1 19 ASP HA 1 20 PRO QD . . 3.820 2.056 2.030 2.115 . 0 0 "[ . 1 . 2]" 1
184 1 19 ASP HA 1 20 PRO QG . . 5.010 3.973 3.945 4.039 . 0 0 "[ . 1 . 2]" 1
185 1 19 ASP HA 1 21 GLU H . . 4.690 3.821 3.797 3.861 . 0 0 "[ . 1 . 2]" 1
186 1 19 ASP HA 1 22 SER H . . 5.000 4.315 4.175 4.446 . 0 0 "[ . 1 . 2]" 1
187 1 19 ASP HA 1 23 ALA H . . 5.000 4.163 4.106 4.473 . 0 0 "[ . 1 . 2]" 1
188 1 19 ASP HA 1 24 HIS H . . 5.450 5.506 5.473 5.587 0.137 15 0 "[ . 1 . 2]" 1
189 1 19 ASP QB 1 20 PRO QD . . 3.520 2.498 2.341 2.672 . 0 0 "[ . 1 . 2]" 1
190 1 20 PRO HA 1 20 PRO QG . . 3.640 3.521 3.519 3.522 . 0 0 "[ . 1 . 2]" 1
191 1 20 PRO HA 1 21 GLU H . . 3.720 3.378 3.311 3.398 . 0 0 "[ . 1 . 2]" 1
192 1 20 PRO HA 1 23 ALA MB . . 4.150 4.132 3.994 4.218 0.068 16 0 "[ . 1 . 2]" 1
193 1 20 PRO QD 1 21 GLU QG . . 5.000 4.130 2.935 5.241 0.241 12 0 "[ . 1 . 2]" 1
194 1 20 PRO HD2 1 21 GLU H . . 4.510 2.862 2.815 2.996 . 0 0 "[ . 1 . 2]" 1
195 1 20 PRO HD3 1 21 GLU H . . 4.100 3.960 3.940 4.034 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLU H 1 22 SER H . . 3.490 1.813 1.768 1.884 . 0 0 "[ . 1 . 2]" 1
197 1 21 GLU H 1 22 SER HB3 . . 5.000 5.012 4.859 5.383 0.383 16 0 "[ . 1 . 2]" 1
198 1 21 GLU H 1 23 ALA H . . 4.750 3.297 3.217 3.397 . 0 0 "[ . 1 . 2]" 1
199 1 21 GLU H 1 24 HIS H . . 5.000 3.681 3.593 3.843 . 0 0 "[ . 1 . 2]" 1
200 1 21 GLU H 1 25 ARG H . . 5.000 5.036 4.761 5.121 0.121 18 0 "[ . 1 . 2]" 1
201 1 21 GLU HA 1 21 GLU QG . . 3.360 3.022 2.193 3.340 . 0 0 "[ . 1 . 2]" 1
202 1 21 GLU HA 1 22 SER H . . 3.350 3.507 3.409 3.551 0.201 20 0 "[ . 1 . 2]" 1
203 1 21 GLU HA 1 23 ALA H . . 4.770 4.848 4.794 4.936 0.166 15 0 "[ . 1 . 2]" 1
204 1 21 GLU HA 1 23 ALA MB . . 5.830 5.842 5.701 5.990 0.160 15 0 "[ . 1 . 2]" 1
205 1 21 GLU HA 1 24 HIS H . . 4.230 3.933 3.798 4.240 0.010 15 0 "[ . 1 . 2]" 1
206 1 21 GLU HA 1 24 HIS QB . . 5.550 2.994 2.750 3.618 . 0 0 "[ . 1 . 2]" 1
207 1 21 GLU HA 1 24 HIS HD2 . . 4.950 2.551 2.246 2.724 . 0 0 "[ . 1 . 2]" 1
208 1 21 GLU QG 1 22 SER HA . . 5.000 3.756 3.018 5.283 0.283 19 0 "[ . 1 . 2]" 1
209 1 21 GLU QG 1 24 HIS QB . . 5.000 4.980 4.571 5.137 0.137 1 0 "[ . 1 . 2]" 1
210 1 21 GLU QG 1 25 ARG QD . . 5.000 4.878 4.459 5.117 0.117 18 0 "[ . 1 . 2]" 1
211 1 22 SER H 1 22 SER HB2 . . 3.740 2.279 2.096 3.359 . 0 0 "[ . 1 . 2]" 1
212 1 22 SER H 1 22 SER HB3 . . 3.940 3.324 3.240 3.578 . 0 0 "[ . 1 . 2]" 1
213 1 22 SER H 1 23 ALA H . . 3.640 2.327 2.117 2.524 . 0 0 "[ . 1 . 2]" 1
214 1 22 SER H 1 24 HIS H . . 4.660 3.476 3.185 3.709 . 0 0 "[ . 1 . 2]" 1
215 1 22 SER HA 1 23 ALA H . . 3.720 3.566 3.561 3.574 . 0 0 "[ . 1 . 2]" 1
216 1 22 SER HA 1 24 HIS H . . 4.570 4.469 4.385 4.640 0.070 15 0 "[ . 1 . 2]" 1
217 1 22 SER HA 1 25 ARG H . . 3.840 3.871 3.806 3.939 0.099 11 0 "[ . 1 . 2]" 1
218 1 22 SER HA 1 25 ARG QB . . 5.210 3.834 2.976 4.326 . 0 0 "[ . 1 . 2]" 1
219 1 22 SER HA 1 25 ARG QD . . 4.430 2.917 1.946 4.422 . 0 0 "[ . 1 . 2]" 1
220 1 22 SER HA 1 25 ARG HE . . 5.000 4.417 2.404 5.050 0.050 18 0 "[ . 1 . 2]" 1
221 1 22 SER HA 1 25 ARG QG . . 5.000 3.180 2.271 5.146 0.146 7 0 "[ . 1 . 2]" 1
222 1 22 SER HA 1 26 LEU H . . 4.280 4.328 4.272 4.380 0.100 13 0 "[ . 1 . 2]" 1
223 1 22 SER QB 1 23 ALA MB . . 3.890 3.609 3.542 3.820 . 0 0 "[ . 1 . 2]" 1
224 1 22 SER HB2 1 23 ALA H . . 4.160 3.023 2.577 3.166 . 0 0 "[ . 1 . 2]" 1
225 1 22 SER HB2 1 24 HIS H . . 5.000 5.033 4.793 5.151 0.151 15 0 "[ . 1 . 2]" 1
226 1 22 SER HB3 1 23 ALA H . . 3.980 3.034 2.854 4.104 0.124 15 0 "[ . 1 . 2]" 1
227 1 23 ALA H 1 24 HIS H . . 3.660 2.359 2.308 2.418 . 0 0 "[ . 1 . 2]" 1
228 1 23 ALA H 1 24 HIS HA . . 5.000 5.046 5.000 5.106 0.106 7 0 "[ . 1 . 2]" 1
229 1 23 ALA H 1 25 ARG H . . 4.980 4.017 3.826 4.168 . 0 0 "[ . 1 . 2]" 1
230 1 23 ALA H 1 26 LEU H . . 5.300 4.765 4.676 4.817 . 0 0 "[ . 1 . 2]" 1
231 1 23 ALA HA 1 24 HIS H . . 3.890 3.508 3.490 3.536 . 0 0 "[ . 1 . 2]" 1
232 1 23 ALA HA 1 26 LEU H . . 4.020 3.445 3.360 3.538 . 0 0 "[ . 1 . 2]" 1
233 1 23 ALA HA 1 26 LEU QB . . 4.910 2.930 2.755 3.121 . 0 0 "[ . 1 . 2]" 1
234 1 23 ALA HA 1 26 LEU QD . . 3.930 3.849 3.681 4.026 0.096 1 0 "[ . 1 . 2]" 1
235 1 23 ALA HA 1 27 ALA H . . 4.400 4.089 3.943 4.214 . 0 0 "[ . 1 . 2]" 1
236 1 23 ALA MB 1 24 HIS HA . . 4.940 3.896 3.811 3.918 . 0 0 "[ . 1 . 2]" 1
237 1 23 ALA MB 1 24 HIS QB . . 4.340 3.939 3.873 3.993 . 0 0 "[ . 1 . 2]" 1
238 1 24 HIS H 1 24 HIS HD2 . . 5.000 4.118 4.011 4.187 . 0 0 "[ . 1 . 2]" 1
239 1 24 HIS H 1 25 ARG H . . 3.610 2.533 2.467 2.583 . 0 0 "[ . 1 . 2]" 1
240 1 24 HIS H 1 25 ARG HA . . 5.160 5.208 5.149 5.252 0.092 12 0 "[ . 1 . 2]" 1
241 1 24 HIS H 1 26 LEU H . . 4.890 4.019 3.926 4.166 . 0 0 "[ . 1 . 2]" 1
242 1 24 HIS H 1 28 VAL H . . 5.500 5.595 5.534 5.686 0.186 3 0 "[ . 1 . 2]" 1
243 1 24 HIS HA 1 24 HIS HD2 . . 4.590 4.648 4.594 4.686 0.096 1 0 "[ . 1 . 2]" 1
244 1 24 HIS HA 1 25 ARG H . . 3.500 3.544 3.526 3.567 0.067 11 0 "[ . 1 . 2]" 1
245 1 24 HIS HA 1 26 LEU H . . 4.690 4.463 4.238 4.563 . 0 0 "[ . 1 . 2]" 1
246 1 24 HIS HA 1 27 ALA H . . 4.030 3.447 3.280 3.538 . 0 0 "[ . 1 . 2]" 1
247 1 24 HIS HA 1 27 ALA MB . . 3.810 2.505 2.326 2.725 . 0 0 "[ . 1 . 2]" 1
248 1 24 HIS HA 1 28 VAL H . . 5.000 3.424 3.265 3.532 . 0 0 "[ . 1 . 2]" 1
249 1 24 HIS QB 1 25 ARG HA . . 5.000 4.625 4.588 4.642 . 0 0 "[ . 1 . 2]" 1
250 1 24 HIS QB 1 25 ARG QB . . 4.560 4.448 4.337 4.546 . 0 0 "[ . 1 . 2]" 1
251 1 24 HIS QB 1 27 ALA MB . . 4.790 4.182 4.019 4.381 . 0 0 "[ . 1 . 2]" 1
252 1 24 HIS HD2 1 25 ARG H . . 5.000 2.898 2.683 3.103 . 0 0 "[ . 1 . 2]" 1
253 1 24 HIS HD2 1 25 ARG HA . . 4.950 3.417 3.230 3.523 . 0 0 "[ . 1 . 2]" 1
254 1 24 HIS HE1 1 25 ARG HA . . 5.000 5.049 5.029 5.065 0.065 1 0 "[ . 1 . 2]" 1
255 1 25 ARG H 1 25 ARG HE . . 5.000 4.925 3.761 5.163 0.163 19 0 "[ . 1 . 2]" 1
256 1 25 ARG H 1 26 LEU H . . 4.050 2.521 2.467 2.576 . 0 0 "[ . 1 . 2]" 1
257 1 25 ARG H 1 26 LEU HA . . 5.300 5.209 5.162 5.253 . 0 0 "[ . 1 . 2]" 1
258 1 25 ARG HA 1 25 ARG QD . . 4.160 4.210 3.857 4.372 0.212 19 0 "[ . 1 . 2]" 1
259 1 25 ARG HA 1 25 ARG HE . . 5.000 4.807 4.285 5.110 0.110 7 0 "[ . 1 . 2]" 1
260 1 25 ARG HA 1 25 ARG QG . . 3.610 3.115 2.490 3.422 . 0 0 "[ . 1 . 2]" 1
261 1 25 ARG HA 1 26 LEU H . . 3.930 3.547 3.522 3.563 . 0 0 "[ . 1 . 2]" 1
262 1 25 ARG HA 1 26 LEU QB . . 5.980 5.207 5.190 5.220 . 0 0 "[ . 1 . 2]" 1
263 1 25 ARG HA 1 27 ALA H . . 4.910 4.026 3.942 4.105 . 0 0 "[ . 1 . 2]" 1
264 1 25 ARG HA 1 28 VAL H . . 4.220 3.720 3.590 3.867 . 0 0 "[ . 1 . 2]" 1
265 1 25 ARG HA 1 29 ARG H . . 5.000 4.273 4.148 4.569 . 0 0 "[ . 1 . 2]" 1
266 1 25 ARG QB 1 25 ARG QD . . 3.100 2.248 2.054 2.537 . 0 0 "[ . 1 . 2]" 1
267 1 25 ARG QB 1 26 LEU HA . . 4.250 4.326 4.225 4.519 0.269 16 0 "[ . 1 . 2]" 1
268 1 25 ARG QD 1 26 LEU QB . . 5.010 4.144 2.706 4.805 . 0 0 "[ . 1 . 2]" 1
269 1 25 ARG QD 1 26 LEU MD1 . . 5.000 4.602 3.386 5.040 0.040 17 0 "[ . 1 . 2]" 1
270 1 25 ARG HE 1 26 LEU H . . 5.000 4.438 3.412 5.015 0.015 20 0 "[ . 1 . 2]" 1
271 1 26 LEU H 1 27 ALA H . . 3.530 2.414 2.276 2.458 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU H 1 28 VAL H . . 4.960 4.266 4.134 4.377 . 0 0 "[ . 1 . 2]" 1
273 1 26 LEU H 1 29 ARG H . . 5.000 5.024 5.001 5.066 0.066 9 0 "[ . 1 . 2]" 1
274 1 26 LEU HA 1 26 LEU HG . . 3.870 2.428 2.357 2.570 . 0 0 "[ . 1 . 2]" 1
275 1 26 LEU HA 1 27 ALA H . . 3.400 3.445 3.418 3.470 0.070 10 0 "[ . 1 . 2]" 1
276 1 26 LEU HA 1 30 PHE HZ . . 5.000 5.012 4.960 5.024 0.024 15 0 "[ . 1 . 2]" 1
277 1 26 LEU MD2 1 29 ARG QD . . 4.880 1.738 1.612 1.963 . 0 0 "[ . 1 . 2]" 1
278 1 26 LEU MD2 1 30 PHE HA . . 5.730 5.898 5.856 6.002 0.272 18 0 "[ . 1 . 2]" 1
279 1 27 ALA H 1 28 VAL H . . 3.720 2.374 2.302 2.410 . 0 0 "[ . 1 . 2]" 1
280 1 27 ALA H 1 28 VAL HA . . 5.000 5.033 4.979 5.063 0.063 3 0 "[ . 1 . 2]" 1
281 1 27 ALA H 1 29 ARG H . . 4.540 3.720 3.652 3.771 . 0 0 "[ . 1 . 2]" 1
282 1 27 ALA H 1 30 PHE H . . 5.230 4.778 4.736 4.885 . 0 0 "[ . 1 . 2]" 1
283 1 27 ALA HA 1 28 VAL H . . 3.710 3.579 3.569 3.584 . 0 0 "[ . 1 . 2]" 1
284 1 27 ALA HA 1 29 ARG QD . . 4.940 4.969 4.949 4.983 0.043 18 0 "[ . 1 . 2]" 1
285 1 27 ALA HA 1 30 PHE H . . 3.820 3.250 3.158 3.346 . 0 0 "[ . 1 . 2]" 1
286 1 27 ALA HA 1 30 PHE QB . . 4.910 2.923 2.805 3.114 . 0 0 "[ . 1 . 2]" 1
287 1 27 ALA HA 1 31 THR H . . 4.170 4.226 4.195 4.282 0.112 16 0 "[ . 1 . 2]" 1
288 1 27 ALA HA 1 31 THR HG1 . . 4.750 4.169 4.060 4.451 . 0 0 "[ . 1 . 2]" 1
289 1 27 ALA MB 1 28 VAL HA . . 5.000 3.784 3.775 3.799 . 0 0 "[ . 1 . 2]" 1
290 1 27 ALA MB 1 30 PHE QB . . 5.010 4.071 3.974 4.149 . 0 0 "[ . 1 . 2]" 1
291 1 28 VAL H 1 29 ARG H . . 3.670 2.788 2.763 2.813 . 0 0 "[ . 1 . 2]" 1
292 1 28 VAL H 1 30 PHE H . . 5.000 4.329 4.292 4.388 . 0 0 "[ . 1 . 2]" 1
293 1 28 VAL HA 1 28 VAL MG1 . . 3.260 2.994 2.338 3.212 . 0 0 "[ . 1 . 2]" 1
294 1 28 VAL HA 1 28 VAL MG2 . . 3.440 2.523 2.282 3.200 . 0 0 "[ . 1 . 2]" 1
295 1 28 VAL HA 1 29 ARG H . . 4.130 3.519 3.501 3.541 . 0 0 "[ . 1 . 2]" 1
296 1 28 VAL HA 1 30 PHE H . . 5.000 4.384 4.283 4.537 . 0 0 "[ . 1 . 2]" 1
297 1 28 VAL HA 1 31 THR H . . 4.490 3.320 3.204 3.470 . 0 0 "[ . 1 . 2]" 1
298 1 28 VAL HA 1 31 THR HA . . 5.000 5.071 4.985 5.137 0.137 8 0 "[ . 1 . 2]" 1
299 1 28 VAL HA 1 31 THR HG1 . . 4.680 2.433 1.665 2.979 . 0 0 "[ . 1 . 2]" 1
300 1 28 VAL HA 1 32 SER H . . 5.000 4.132 3.537 4.842 . 0 0 "[ . 1 . 2]" 1
301 1 28 VAL MG2 1 29 ARG HA . . 4.590 3.696 3.422 3.843 . 0 0 "[ . 1 . 2]" 1
302 1 29 ARG H 1 29 ARG HE . . 5.000 4.939 3.802 5.045 0.045 16 0 "[ . 1 . 2]" 1
303 1 29 ARG H 1 30 PHE H . . 3.550 2.563 2.491 2.646 . 0 0 "[ . 1 . 2]" 1
304 1 29 ARG H 1 31 THR H . . 4.100 3.746 3.650 3.841 . 0 0 "[ . 1 . 2]" 1
305 1 29 ARG HA 1 29 ARG QD . . 4.420 4.471 4.405 4.503 0.083 9 0 "[ . 1 . 2]" 1
306 1 29 ARG HA 1 29 ARG HE . . 4.800 4.594 4.488 5.012 0.212 18 0 "[ . 1 . 2]" 1
307 1 29 ARG HA 1 30 PHE H . . 4.160 3.552 3.544 3.562 . 0 0 "[ . 1 . 2]" 1
308 1 29 ARG HA 1 31 THR H . . 4.950 4.101 3.913 4.257 . 0 0 "[ . 1 . 2]" 1
309 1 29 ARG HA 1 32 SER H . . 5.280 3.875 3.663 4.118 . 0 0 "[ . 1 . 2]" 1
310 1 29 ARG HA 1 33 LEU H . . 5.130 4.296 3.453 4.923 . 0 0 "[ . 1 . 2]" 1
311 1 29 ARG HA 1 33 LEU QB . . 5.910 5.123 4.296 5.944 0.034 9 0 "[ . 1 . 2]" 1
312 1 29 ARG QB 1 30 PHE HA . . 4.240 4.272 4.255 4.317 0.077 18 0 "[ . 1 . 2]" 1
313 1 29 ARG QB 1 30 PHE QB . . 5.000 5.007 4.993 5.045 0.045 18 0 "[ . 1 . 2]" 1
314 1 29 ARG QB 1 33 LEU HA . . 5.500 4.656 4.126 5.180 . 0 0 "[ . 1 . 2]" 1
315 1 29 ARG HE 1 30 PHE H . . 5.000 4.513 4.369 5.085 0.085 18 0 "[ . 1 . 2]" 1
316 1 29 ARG HE 1 30 PHE HZ . . 5.000 4.227 3.945 5.262 0.262 18 0 "[ . 1 . 2]" 1
317 1 29 ARG QG 1 30 PHE HA . . 5.350 3.556 3.471 3.628 . 0 0 "[ . 1 . 2]" 1
318 1 30 PHE H 1 31 THR H . . 3.720 2.383 2.324 2.457 . 0 0 "[ . 1 . 2]" 1
319 1 30 PHE H 1 31 THR HA . . 5.000 5.007 4.956 5.033 0.033 7 0 "[ . 1 . 2]" 1
320 1 30 PHE H 1 31 THR HB . . 5.000 4.884 4.818 4.978 . 0 0 "[ . 1 . 2]" 1
321 1 30 PHE HA 1 31 THR H . . 3.670 3.450 3.410 3.481 . 0 0 "[ . 1 . 2]" 1
322 1 30 PHE HA 1 31 THR HG1 . . 5.000 5.832 5.426 6.049 1.049 1 14 "[+** *****1*** .-** 2]" 1
323 1 30 PHE HA 1 32 SER H . . 4.910 4.461 4.324 4.670 . 0 0 "[ . 1 . 2]" 1
324 1 30 PHE HA 1 33 LEU H . . 4.410 3.663 3.487 3.770 . 0 0 "[ . 1 . 2]" 1
325 1 30 PHE HA 1 33 LEU QB . . 3.850 2.997 2.110 4.032 0.182 11 0 "[ . 1 . 2]" 1
326 1 30 PHE HA 1 33 LEU MD1 . . 5.500 3.346 2.610 4.276 . 0 0 "[ . 1 . 2]" 1
327 1 30 PHE QB 1 31 THR HG1 . . 4.850 4.201 3.903 4.551 . 0 0 "[ . 1 . 2]" 1
328 1 31 THR H 1 31 THR HB . . 3.520 2.679 2.659 2.694 . 0 0 "[ . 1 . 2]" 1
329 1 31 THR H 1 33 LEU H . . 4.780 3.809 3.708 4.150 . 0 0 "[ . 1 . 2]" 1
330 1 31 THR HA 1 31 THR HG1 . . 2.920 3.244 2.398 3.634 0.714 5 14 "[*** +****1*** .-** 2]" 1
331 1 31 THR HA 1 32 SER H . . 3.820 3.564 3.527 3.587 . 0 0 "[ . 1 . 2]" 1
332 1 31 THR HA 1 33 LEU H . . 4.990 4.389 3.843 4.974 . 0 0 "[ . 1 . 2]" 1
333 1 31 THR HA 1 33 LEU QD . . 4.280 3.952 3.608 4.438 0.158 11 0 "[ . 1 . 2]" 1
334 1 31 THR HB 1 32 SER H . . 3.360 2.506 2.252 2.782 . 0 0 "[ . 1 . 2]" 1
335 1 31 THR HB 1 33 LEU H . . 4.780 4.594 4.164 4.908 0.128 16 0 "[ . 1 . 2]" 1
336 1 31 THR HG1 1 32 SER QB . . 5.240 5.356 5.151 5.744 0.504 4 5 "[ +. * * *-]" 1
337 1 32 SER H 1 33 LEU H . . 4.430 2.355 1.931 2.827 . 0 0 "[ . 1 . 2]" 1
338 1 32 SER H 1 34 GLY H . . 4.700 4.362 3.874 4.895 0.195 16 0 "[ . 1 . 2]" 1
339 1 32 SER HA 1 33 LEU H . . 3.820 3.222 2.700 3.546 . 0 0 "[ . 1 . 2]" 1
340 1 32 SER HA 1 33 LEU MD2 . . 5.000 4.504 3.732 5.206 0.206 9 0 "[ . 1 . 2]" 1
341 1 32 SER HA 1 34 GLY H . . 4.030 3.512 2.979 4.122 0.092 4 0 "[ . 1 . 2]" 1
342 1 33 LEU H 1 34 GLY H . . 4.630 2.628 2.567 2.796 . 0 0 "[ . 1 . 2]" 1
343 1 33 LEU HA 1 33 LEU MD1 . . 4.030 3.800 2.023 4.089 0.059 16 0 "[ . 1 . 2]" 1
344 1 33 LEU HA 1 33 LEU MD2 . . 3.290 3.328 2.334 3.554 0.264 16 0 "[ . 1 . 2]" 1
345 1 33 LEU HA 1 33 LEU HG . . 3.640 3.327 2.859 3.649 0.009 16 0 "[ . 1 . 2]" 1
346 1 33 LEU HA 1 34 GLY H . . 3.510 3.266 3.078 3.493 . 0 0 "[ . 1 . 2]" 1
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