NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539358 |
2lqn   |
18321 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqn
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 345
_Distance_constraint_stats_list.Viol_count 32
_Distance_constraint_stats_list.Viol_total 5.942
_Distance_constraint_stats_list.Viol_max 0.144
_Distance_constraint_stats_list.Viol_rms 0.0055
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0309
_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 ALA 0.000 0.000 . 0 "[ . ]"
1 5 ARG 0.012 0.012 1 0 "[ . ]"
1 6 PHE 0.000 0.000 . 0 "[ . ]"
1 7 ASP 0.073 0.073 1 0 "[ . ]"
1 8 SER 0.148 0.073 1 0 "[ . ]"
1 9 SER 0.000 0.000 . 0 "[ . ]"
1 10 ASP 0.164 0.058 3 0 "[ . ]"
1 11 ARG 0.185 0.041 6 0 "[ . ]"
1 12 SER 0.000 0.000 . 0 "[ . ]"
1 13 ALA 0.000 0.000 . 0 "[ . ]"
1 14 TRP 0.267 0.042 5 0 "[ . ]"
1 15 TYR 0.040 0.020 3 0 "[ . ]"
1 16 MET 0.008 0.008 1 0 "[ . ]"
1 17 GLY 0.000 0.000 . 0 "[ . ]"
1 18 PRO 0.000 0.000 . 0 "[ . ]"
1 19 VAL 0.069 0.061 1 0 "[ . ]"
1 20 SER 0.324 0.144 1 0 "[ . ]"
1 21 ARG 0.000 0.000 . 0 "[ . ]"
1 22 GLN 0.000 0.000 . 0 "[ . ]"
1 23 GLU 0.147 0.144 1 0 "[ . ]"
1 24 ALA 0.132 0.058 6 0 "[ . ]"
1 25 GLN 0.000 0.000 . 0 "[ . ]"
1 26 THR 0.000 0.000 . 0 "[ . ]"
1 27 ARG 0.000 0.000 . 0 "[ . ]"
1 28 LEU 0.129 0.058 6 0 "[ . ]"
1 29 GLN 0.004 0.004 1 0 "[ . ]"
1 30 GLY 0.000 0.000 . 0 "[ . ]"
1 31 GLN 0.004 0.004 1 0 "[ . ]"
1 32 ARG 0.000 0.000 . 0 "[ . ]"
1 33 HIS 0.000 0.000 . 0 "[ . ]"
1 34 GLY 0.000 0.000 . 0 "[ . ]"
1 35 MET 0.000 0.000 . 0 "[ . ]"
1 36 PHE 0.000 0.000 . 0 "[ . ]"
1 37 LEU 0.145 0.056 2 0 "[ . ]"
1 38 VAL 0.000 0.000 . 0 "[ . ]"
1 39 ARG 0.000 0.000 . 0 "[ . ]"
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 ALA H 1 5 ARG H 5.230 . 5.230 4.034 3.504 4.477 . 0 0 "[ . ]" 1
2 1 4 ALA HA 1 5 ARG H 3.060 . 3.060 2.298 2.150 2.558 . 0 0 "[ . ]" 1
3 1 4 ALA HA 1 5 ARG HA 5.280 . 5.280 4.435 4.375 4.547 . 0 0 "[ . ]" 1
4 1 4 ALA HA 1 6 PHE H 5.650 . 5.650 4.790 4.170 5.056 . 0 0 "[ . ]" 1
5 1 4 ALA HA 1 6 PHE QD 4.220 . 4.220 3.389 3.120 3.728 . 0 0 "[ . ]" 1
6 1 4 ALA HA 1 6 PHE QE 4.780 . 4.780 3.700 3.394 4.112 . 0 0 "[ . ]" 1
7 1 4 ALA MB 1 5 ARG HA 5.200 . 5.200 4.159 4.032 4.234 . 0 0 "[ . ]" 1
8 1 4 ALA MB 1 6 PHE H 5.080 . 5.080 4.390 4.186 4.748 . 0 0 "[ . ]" 1
9 1 4 ALA MB 1 6 PHE QD 4.400 . 4.400 3.368 2.980 3.800 . 0 0 "[ . ]" 1
10 1 4 ALA MB 1 6 PHE QE 3.860 . 3.860 2.426 1.931 2.953 . 0 0 "[ . ]" 1
11 1 5 ARG H 1 6 PHE H 4.400 . 4.400 3.562 2.146 4.093 . 0 0 "[ . ]" 1
12 1 5 ARG H 1 6 PHE QE 5.540 . 5.540 4.614 3.787 5.117 . 0 0 "[ . ]" 1
13 1 5 ARG HA 1 5 ARG HE 5.330 . 5.330 3.734 2.083 5.342 0.012 1 0 "[ . ]" 1
14 1 6 PHE H 1 6 PHE QD 3.620 . 3.620 2.721 2.319 3.098 . 0 0 "[ . ]" 1
15 1 6 PHE H 1 6 PHE QE 5.350 . 5.350 4.441 4.310 4.632 . 0 0 "[ . ]" 1
16 1 6 PHE H 1 7 ASP H 5.250 . 5.250 4.336 4.225 4.550 . 0 0 "[ . ]" 1
17 1 6 PHE HA 1 7 ASP H 3.190 . 3.190 2.461 2.274 3.027 . 0 0 "[ . ]" 1
18 1 6 PHE HA 1 7 ASP HA 5.230 . 5.230 4.335 4.298 4.373 . 0 0 "[ . ]" 1
19 1 6 PHE QD 1 7 ASP H 4.470 . 4.470 3.292 2.146 3.664 . 0 0 "[ . ]" 1
20 1 6 PHE QD 1 7 ASP HA 5.420 . 5.420 4.509 4.303 4.616 . 0 0 "[ . ]" 1
21 1 6 PHE QD 1 14 TRP HD1 4.120 . 4.120 3.198 2.623 3.504 . 0 0 "[ . ]" 1
22 1 6 PHE QD 1 36 PHE QE 4.760 . 4.760 3.565 3.373 3.796 . 0 0 "[ . ]" 1
23 1 6 PHE QE 1 8 SER H 5.670 . 5.670 4.277 3.270 4.906 . 0 0 "[ . ]" 1
24 1 6 PHE QE 1 8 SER HA 3.840 . 3.840 2.560 2.370 2.854 . 0 0 "[ . ]" 1
25 1 6 PHE QE 1 14 TRP HD1 5.150 . 5.150 4.140 3.563 4.466 . 0 0 "[ . ]" 1
26 1 7 ASP H 1 8 SER H 5.350 . 5.350 3.944 2.266 4.425 . 0 0 "[ . ]" 1
27 1 7 ASP H 1 13 ALA MB 4.720 . 4.720 4.057 3.914 4.191 . 0 0 "[ . ]" 1
28 1 7 ASP H 1 14 TRP HD1 5.650 . 5.650 4.982 4.246 5.470 . 0 0 "[ . ]" 1
29 1 7 ASP HA 1 8 SER HA 5.280 . 5.280 4.548 4.330 5.353 0.073 1 0 "[ . ]" 1
30 1 7 ASP HA 1 10 ASP H 5.630 . 5.630 4.786 4.350 5.109 . 0 0 "[ . ]" 1
31 1 8 SER H 1 10 ASP H 4.950 . 4.950 4.509 3.747 5.008 0.058 3 0 "[ . ]" 1
32 1 8 SER H 1 14 TRP HE1 5.870 . 5.870 5.074 3.877 5.655 . 0 0 "[ . ]" 1
33 1 8 SER HA 1 9 SER HA 5.580 . 5.580 4.367 4.236 4.573 . 0 0 "[ . ]" 1
34 1 8 SER HA 1 14 TRP HD1 4.130 . 4.130 3.919 3.339 4.139 0.009 1 0 "[ . ]" 1
35 1 8 SER HA 1 14 TRP HE1 4.000 . 4.000 3.317 2.980 3.536 . 0 0 "[ . ]" 1
36 1 8 SER HA 1 36 PHE HZ 5.180 . 5.180 4.556 4.280 4.815 . 0 0 "[ . ]" 1
37 1 9 SER H 1 9 SER HG 5.130 . 5.130 4.276 2.577 5.125 . 0 0 "[ . ]" 1
38 1 9 SER H 1 14 TRP HE1 4.960 . 4.960 2.571 2.005 3.441 . 0 0 "[ . ]" 1
39 1 9 SER HA 1 9 SER HG 3.930 . 3.930 3.117 2.362 3.515 . 0 0 "[ . ]" 1
40 1 9 SER HA 1 10 ASP H 3.970 . 3.970 3.489 3.443 3.533 . 0 0 "[ . ]" 1
41 1 9 SER HA 1 10 ASP HA 5.380 . 5.380 4.743 4.642 4.811 . 0 0 "[ . ]" 1
42 1 9 SER HA 1 11 ARG H 5.700 . 5.700 5.196 4.748 5.450 . 0 0 "[ . ]" 1
43 1 9 SER HA 1 14 TRP HE1 4.500 . 4.500 3.324 2.901 3.577 . 0 0 "[ . ]" 1
44 1 9 SER HA 1 14 TRP HZ2 4.580 . 4.580 2.880 2.485 3.554 . 0 0 "[ . ]" 1
45 1 10 ASP H 1 11 ARG H 4.770 . 4.770 4.318 4.153 4.429 . 0 0 "[ . ]" 1
46 1 10 ASP H 1 11 ARG HA 5.570 . 5.570 5.316 5.186 5.429 . 0 0 "[ . ]" 1
47 1 10 ASP H 1 14 TRP HD1 4.320 . 4.320 4.145 3.527 4.329 0.009 5 0 "[ . ]" 1
48 1 10 ASP H 1 14 TRP HE1 2.780 . 2.780 2.712 2.411 2.822 0.042 5 0 "[ . ]" 1
49 1 10 ASP H 1 14 TRP HZ2 5.050 . 5.050 4.670 4.485 4.862 . 0 0 "[ . ]" 1
50 1 10 ASP HA 1 11 ARG H 3.140 . 3.140 2.138 2.100 2.194 . 0 0 "[ . ]" 1
51 1 10 ASP HA 1 11 ARG HA 5.400 . 5.400 4.404 4.356 4.464 . 0 0 "[ . ]" 1
52 1 10 ASP HA 1 12 SER H 4.400 . 4.400 3.629 3.317 3.837 . 0 0 "[ . ]" 1
53 1 10 ASP HA 1 13 ALA H 5.290 . 5.290 4.420 4.326 4.530 . 0 0 "[ . ]" 1
54 1 10 ASP HA 1 14 TRP HE1 4.780 . 4.780 4.358 4.244 4.522 . 0 0 "[ . ]" 1
55 1 11 ARG H 1 11 ARG HE 4.410 . 4.410 3.541 3.290 3.812 . 0 0 "[ . ]" 1
56 1 11 ARG H 1 12 SER H 3.580 . 3.580 2.683 2.619 2.814 . 0 0 "[ . ]" 1
57 1 11 ARG H 1 13 ALA H 4.960 . 4.960 4.079 4.053 4.116 . 0 0 "[ . ]" 1
58 1 11 ARG H 1 14 TRP H 5.880 . 5.880 5.302 5.056 5.401 . 0 0 "[ . ]" 1
59 1 11 ARG H 1 14 TRP HE1 4.620 . 4.620 4.626 4.548 4.661 0.041 6 0 "[ . ]" 1
60 1 11 ARG H 1 14 TRP HZ2 4.770 . 4.770 4.698 4.452 4.796 0.026 1 0 "[ . ]" 1
61 1 11 ARG H 1 15 TYR H 5.860 . 5.860 5.561 5.235 5.687 . 0 0 "[ . ]" 1
62 1 11 ARG HA 1 11 ARG HH11 5.490 . 5.490 4.372 4.001 4.992 . 0 0 "[ . ]" 1
63 1 11 ARG HA 1 12 SER HA 5.650 . 5.650 4.689 4.616 4.739 . 0 0 "[ . ]" 1
64 1 11 ARG HA 1 13 ALA H 4.280 . 4.280 3.581 3.405 3.652 . 0 0 "[ . ]" 1
65 1 11 ARG HA 1 14 TRP H 4.060 . 4.060 3.567 3.094 3.757 . 0 0 "[ . ]" 1
66 1 11 ARG HA 1 14 TRP HD1 5.150 . 5.150 4.996 4.699 5.157 0.007 1 0 "[ . ]" 1
67 1 11 ARG HA 1 14 TRP HE1 4.260 . 4.260 4.051 3.923 4.143 . 0 0 "[ . ]" 1
68 1 11 ARG HA 1 14 TRP HE3 5.100 . 5.100 4.799 4.301 4.959 . 0 0 "[ . ]" 1
69 1 11 ARG HA 1 14 TRP HH2 4.980 . 4.980 4.411 4.298 4.460 . 0 0 "[ . ]" 1
70 1 11 ARG HA 1 14 TRP HZ2 4.180 . 4.180 3.768 3.657 3.924 . 0 0 "[ . ]" 1
71 1 11 ARG HA 1 14 TRP HZ3 5.370 . 5.370 4.876 4.614 4.969 . 0 0 "[ . ]" 1
72 1 11 ARG HA 1 15 TYR H 3.250 . 3.250 3.114 2.631 3.270 0.020 3 0 "[ . ]" 1
73 1 11 ARG HA 1 15 TYR HA 5.260 . 5.260 4.918 4.482 5.090 . 0 0 "[ . ]" 1
74 1 11 ARG HA 1 15 TYR QD 5.450 . 5.450 4.562 4.333 4.652 . 0 0 "[ . ]" 1
75 1 12 SER H 1 12 SER HG 5.040 . 5.040 3.425 3.058 4.238 . 0 0 "[ . ]" 1
76 1 12 SER H 1 13 ALA H 3.580 . 3.580 2.589 2.438 2.705 . 0 0 "[ . ]" 1
77 1 12 SER H 1 14 TRP H 5.160 . 5.160 4.539 4.440 4.617 . 0 0 "[ . ]" 1
78 1 12 SER H 1 15 TYR H 5.540 . 5.540 4.854 4.707 4.983 . 0 0 "[ . ]" 1
79 1 12 SER HA 1 12 SER HG 3.530 . 3.530 2.398 2.249 2.811 . 0 0 "[ . ]" 1
80 1 12 SER HA 1 13 ALA HA 5.430 . 5.430 4.591 4.551 4.628 . 0 0 "[ . ]" 1
81 1 12 SER HA 1 14 TRP H 5.190 . 5.190 4.583 4.369 4.817 . 0 0 "[ . ]" 1
82 1 12 SER HA 1 15 TYR H 5.440 . 5.440 4.278 4.110 4.479 . 0 0 "[ . ]" 1
83 1 13 ALA H 1 14 TRP H 2.850 . 2.850 2.321 2.284 2.367 . 0 0 "[ . ]" 1
84 1 13 ALA H 1 14 TRP HA 5.600 . 5.600 4.970 4.934 5.012 . 0 0 "[ . ]" 1
85 1 13 ALA H 1 14 TRP HD1 4.800 . 4.800 4.195 3.997 4.373 . 0 0 "[ . ]" 1
86 1 13 ALA H 1 14 TRP HE1 5.490 . 5.490 4.805 4.570 5.054 . 0 0 "[ . ]" 1
87 1 13 ALA H 1 15 TYR H 4.180 . 4.180 3.501 3.405 3.623 . 0 0 "[ . ]" 1
88 1 13 ALA HA 1 14 TRP HA 5.420 . 5.420 4.529 4.519 4.545 . 0 0 "[ . ]" 1
89 1 13 ALA MB 1 14 TRP H . . 4.050 2.496 2.478 2.507 . 0 0 "[ . ]" 1
90 1 13 ALA MB 1 14 TRP HA 5.390 . 5.390 3.925 3.880 3.996 . 0 0 "[ . ]" 1
91 1 13 ALA MB 1 14 TRP HD1 4.160 . 4.160 2.294 1.967 2.606 . 0 0 "[ . ]" 1
92 1 13 ALA MB 1 15 TYR H 5.810 . 5.810 4.262 4.197 4.320 . 0 0 "[ . ]" 1
93 1 14 TRP H 1 14 TRP HD1 4.000 . 4.000 3.001 2.914 3.098 . 0 0 "[ . ]" 1
94 1 14 TRP H 1 14 TRP HE1 5.230 . 5.230 4.234 4.182 4.342 . 0 0 "[ . ]" 1
95 1 14 TRP H 1 14 TRP HE3 5.360 . 5.360 4.428 4.380 4.470 . 0 0 "[ . ]" 1
96 1 14 TRP H 1 15 TYR H 2.830 . 2.830 2.047 1.959 2.119 . 0 0 "[ . ]" 1
97 1 14 TRP H 1 15 TYR HA 5.510 . 5.510 4.705 4.633 4.750 . 0 0 "[ . ]" 1
98 1 14 TRP HA 1 14 TRP HD1 5.210 . 5.210 4.262 4.208 4.351 . 0 0 "[ . ]" 1
99 1 14 TRP HA 1 14 TRP HE3 5.300 . 5.300 4.478 4.377 4.545 . 0 0 "[ . ]" 1
100 1 14 TRP HA 1 15 TYR HA 5.670 . 5.670 4.691 4.666 4.711 . 0 0 "[ . ]" 1
101 1 14 TRP HA 1 16 MET ME . . 3.880 3.016 2.721 3.280 . 0 0 "[ . ]" 1
102 1 14 TRP HA 1 36 PHE QE 5.290 . 5.290 4.297 4.108 4.439 . 0 0 "[ . ]" 1
103 1 14 TRP HA 1 36 PHE HZ 5.710 . 5.710 5.176 4.978 5.465 . 0 0 "[ . ]" 1
104 1 14 TRP HA 1 37 LEU HA 4.560 . 4.560 3.765 3.538 3.952 . 0 0 "[ . ]" 1
105 1 14 TRP HA 1 38 VAL H 5.260 . 5.260 4.259 4.053 4.431 . 0 0 "[ . ]" 1
106 1 14 TRP HB2 1 14 TRP HE3 3.540 . 3.540 2.619 2.582 2.686 . 0 0 "[ . ]" 1
107 1 14 TRP HB2 1 15 TYR H 5.250 . 5.250 3.875 3.781 3.972 . 0 0 "[ . ]" 1
108 1 14 TRP HB2 1 37 LEU HA 5.350 . 5.350 3.510 3.229 3.756 . 0 0 "[ . ]" 1
109 1 14 TRP HB2 1 38 VAL H 5.810 . 5.810 3.311 3.020 3.539 . 0 0 "[ . ]" 1
110 1 14 TRP HB2 1 38 VAL QG . . 4.110 3.060 2.899 3.242 . 0 0 "[ . ]" 1
111 1 15 TYR H 1 15 TYR QD 5.290 . 5.290 4.207 4.180 4.235 . 0 0 "[ . ]" 1
112 1 15 TYR H 1 16 MET H 5.360 . 5.360 4.423 4.347 4.500 . 0 0 "[ . ]" 1
113 1 15 TYR H 1 16 MET ME 5.850 . 5.850 4.482 4.322 4.711 . 0 0 "[ . ]" 1
114 1 15 TYR H 1 38 VAL H 5.530 . 5.530 4.889 4.768 5.009 . 0 0 "[ . ]" 1
115 1 15 TYR H 1 38 VAL HB 5.480 . 5.480 4.796 4.690 4.905 . 0 0 "[ . ]" 1
116 1 15 TYR HA 1 15 TYR QD 2.940 . 2.940 2.262 2.058 2.460 . 0 0 "[ . ]" 1
117 1 15 TYR HA 1 15 TYR QE 5.260 . 5.260 4.398 4.290 4.536 . 0 0 "[ . ]" 1
118 1 15 TYR HA 1 16 MET H 3.040 . 3.040 2.114 2.099 2.130 . 0 0 "[ . ]" 1
119 1 15 TYR HA 1 16 MET HA 5.290 . 5.290 4.366 4.350 4.381 . 0 0 "[ . ]" 1
120 1 15 TYR HA 1 16 MET ME 5.640 . 5.640 4.368 4.043 4.784 . 0 0 "[ . ]" 1
121 1 15 TYR HA 1 17 GLY H 4.260 . 4.260 3.506 3.423 3.577 . 0 0 "[ . ]" 1
122 1 15 TYR HA 1 37 LEU HA 5.710 . 5.710 4.910 4.706 5.145 . 0 0 "[ . ]" 1
123 1 15 TYR HA 1 38 VAL H 3.780 . 3.780 3.165 2.923 3.327 . 0 0 "[ . ]" 1
124 1 15 TYR HA 1 38 VAL HA 5.600 . 5.600 4.862 4.769 4.936 . 0 0 "[ . ]" 1
125 1 15 TYR HA 1 38 VAL HB 3.490 . 3.490 2.645 2.534 2.827 . 0 0 "[ . ]" 1
126 1 15 TYR HA 1 38 VAL QG 5.580 . 5.580 3.484 3.427 3.599 . 0 0 "[ . ]" 1
127 1 15 TYR HA 1 39 ARG HA 5.280 . 5.280 4.386 4.192 4.579 . 0 0 "[ . ]" 1
128 1 15 TYR QB 1 15 TYR HD2 3.190 . 3.190 2.266 2.254 2.278 . 0 0 "[ . ]" 1
129 1 15 TYR QB 1 38 VAL HB 4.900 . 4.900 3.935 3.713 4.108 . 0 0 "[ . ]" 1
130 1 15 TYR QD 1 16 MET H 4.090 . 4.090 3.302 3.053 3.616 . 0 0 "[ . ]" 1
131 1 15 TYR QD 1 17 GLY H 4.310 . 4.310 3.378 3.234 3.470 . 0 0 "[ . ]" 1
132 1 15 TYR QD 1 17 GLY HA2 5.570 . 5.570 4.136 3.985 4.371 . 0 0 "[ . ]" 1
133 1 15 TYR QD 1 38 VAL H 4.820 . 4.820 4.462 4.386 4.566 . 0 0 "[ . ]" 1
134 1 15 TYR QD 1 38 VAL HA 5.270 . 5.270 4.827 4.707 4.903 . 0 0 "[ . ]" 1
135 1 15 TYR QD 1 38 VAL HB 3.070 . 3.070 2.626 2.522 2.830 . 0 0 "[ . ]" 1
136 1 15 TYR QD 1 39 ARG H 5.520 . 5.520 5.049 4.833 5.252 . 0 0 "[ . ]" 1
137 1 15 TYR QD 1 39 ARG HA 4.640 . 4.640 4.048 3.844 4.386 . 0 0 "[ . ]" 1
138 1 15 TYR QE 1 16 MET H 5.560 . 5.560 4.603 4.390 4.905 . 0 0 "[ . ]" 1
139 1 15 TYR QE 1 17 GLY H 4.800 . 4.800 3.702 3.490 3.866 . 0 0 "[ . ]" 1
140 1 15 TYR QE 1 17 GLY HA2 4.660 . 4.660 3.276 3.058 3.541 . 0 0 "[ . ]" 1
141 1 15 TYR QE 1 38 VAL HB 4.880 . 4.880 4.457 4.319 4.730 . 0 0 "[ . ]" 1
142 1 15 TYR QE 1 38 VAL QG 4.970 . 4.970 2.901 2.770 3.160 . 0 0 "[ . ]" 1
143 1 15 TYR QE 1 39 ARG H 5.310 . 5.310 5.114 4.769 5.277 . 0 0 "[ . ]" 1
144 1 15 TYR QE 1 39 ARG HA 4.160 . 4.160 3.880 3.710 4.111 . 0 0 "[ . ]" 1
145 1 16 MET H 1 16 MET ME 5.080 . 5.080 3.730 3.290 4.450 . 0 0 "[ . ]" 1
146 1 16 MET H 1 17 GLY H 3.240 . 3.240 2.250 2.180 2.390 . 0 0 "[ . ]" 1
147 1 16 MET H 1 17 GLY HA2 5.370 . 5.370 4.461 4.355 4.554 . 0 0 "[ . ]" 1
148 1 16 MET H 1 19 VAL HB 5.780 . 5.780 5.651 5.432 5.788 0.008 1 0 "[ . ]" 1
149 1 16 MET H 1 37 LEU HA 5.890 . 5.890 4.755 4.274 5.154 . 0 0 "[ . ]" 1
150 1 16 MET H 1 37 LEU QD 4.710 . 4.710 4.147 3.967 4.261 . 0 0 "[ . ]" 1
151 1 16 MET H 1 38 VAL H 4.000 . 4.000 3.293 2.920 3.644 . 0 0 "[ . ]" 1
152 1 16 MET H 1 38 VAL HA 5.550 . 5.550 4.645 4.462 4.785 . 0 0 "[ . ]" 1
153 1 16 MET H 1 38 VAL HB 4.800 . 4.800 3.769 3.558 3.997 . 0 0 "[ . ]" 1
154 1 16 MET H 1 39 ARG H 5.450 . 5.450 4.442 4.356 4.563 . 0 0 "[ . ]" 1
155 1 16 MET H 1 39 ARG HA 4.020 . 4.020 2.876 2.601 3.162 . 0 0 "[ . ]" 1
156 1 16 MET HA 1 16 MET ME 5.130 . 5.130 3.156 2.573 3.939 . 0 0 "[ . ]" 1
157 1 16 MET ME 1 37 LEU HA . . 4.380 3.041 2.951 3.124 . 0 0 "[ . ]" 1
158 1 16 MET ME 1 37 LEU QD 5.150 . 5.150 2.654 2.536 2.814 . 0 0 "[ . ]" 1
159 1 16 MET ME 1 37 LEU MD2 4.800 . 4.800 2.736 2.608 2.921 . 0 0 "[ . ]" 1
160 1 16 MET ME 1 38 VAL H 4.770 . 4.770 3.750 3.539 3.973 . 0 0 "[ . ]" 1
161 1 17 GLY H 1 19 VAL HB 5.860 . 5.860 5.470 5.282 5.639 . 0 0 "[ . ]" 1
162 1 17 GLY H 1 39 ARG HA 3.730 . 3.730 2.565 2.267 3.111 . 0 0 "[ . ]" 1
163 1 17 GLY HA2 1 18 PRO HA 5.590 . 5.590 4.544 4.524 4.570 . 0 0 "[ . ]" 1
164 1 17 GLY HA2 1 19 VAL H 5.520 . 5.520 5.002 4.492 5.369 . 0 0 "[ . ]" 1
165 1 17 GLY HA2 1 39 ARG HA 3.970 . 3.970 3.357 2.825 3.908 . 0 0 "[ . ]" 1
166 1 18 PRO HA 1 19 VAL H 3.320 . 3.320 2.302 2.201 2.485 . 0 0 "[ . ]" 1
167 1 18 PRO HA 1 19 VAL HA 5.240 . 5.240 4.354 4.333 4.369 . 0 0 "[ . ]" 1
168 1 18 PRO HA 1 19 VAL HB 5.840 . 5.840 4.866 4.524 5.139 . 0 0 "[ . ]" 1
169 1 19 VAL H 1 19 VAL HB 3.790 . 3.790 2.770 2.614 2.886 . 0 0 "[ . ]" 1
170 1 19 VAL H 1 20 SER H 5.110 . 5.110 3.909 2.891 4.421 . 0 0 "[ . ]" 1
171 1 19 VAL H 1 20 SER HA 5.480 . 5.480 4.520 4.065 4.788 . 0 0 "[ . ]" 1
172 1 19 VAL H 1 39 ARG HA 5.770 . 5.770 4.730 4.239 5.324 . 0 0 "[ . ]" 1
173 1 19 VAL HA 1 20 SER HA 5.280 . 5.280 4.738 4.416 5.341 0.061 1 0 "[ . ]" 1
174 1 19 VAL HA 1 24 ALA H 5.810 . 5.810 5.053 4.786 5.449 . 0 0 "[ . ]" 1
175 1 19 VAL HB 1 20 SER H 5.090 . 5.090 3.212 2.382 3.769 . 0 0 "[ . ]" 1
176 1 19 VAL HB 1 24 ALA MB 5.090 . 5.090 3.823 3.567 4.095 . 0 0 "[ . ]" 1
177 1 19 VAL HB 1 37 LEU QD 5.450 . 5.450 3.347 3.039 3.559 . 0 0 "[ . ]" 1
178 1 19 VAL HB 1 39 ARG HA 5.000 . 5.000 4.061 3.656 4.369 . 0 0 "[ . ]" 1
179 1 19 VAL QG 1 24 ALA H 3.810 . 3.810 2.362 2.192 2.443 . 0 0 "[ . ]" 1
180 1 19 VAL QG 1 24 ALA MB 4.920 . 4.920 2.084 1.979 2.165 . 0 0 "[ . ]" 1
181 1 19 VAL QG 1 28 LEU QD 5.730 . 5.730 4.583 4.270 4.865 . 0 0 "[ . ]" 1
182 1 19 VAL QG 1 37 LEU QD 5.800 . 5.800 2.397 2.118 2.681 . 0 0 "[ . ]" 1
183 1 20 SER H 1 20 SER HG 5.200 . 5.200 3.854 2.931 5.317 0.117 6 0 "[ . ]" 1
184 1 20 SER H 1 21 ARG H 5.440 . 5.440 4.314 4.132 4.414 . 0 0 "[ . ]" 1
185 1 20 SER H 1 23 GLU H 4.610 . 4.610 3.879 3.370 4.754 0.144 1 0 "[ . ]" 1
186 1 20 SER H 1 24 ALA H 4.650 . 4.650 3.156 2.644 3.863 . 0 0 "[ . ]" 1
187 1 20 SER H 1 24 ALA MB 5.900 . 5.900 3.289 3.024 3.656 . 0 0 "[ . ]" 1
188 1 20 SER HA 1 20 SER HG 4.040 . 4.040 3.608 3.450 3.889 . 0 0 "[ . ]" 1
189 1 20 SER HA 1 21 ARG H 3.280 . 3.280 2.591 2.327 2.824 . 0 0 "[ . ]" 1
190 1 20 SER HA 1 21 ARG HA 5.190 . 5.190 4.263 4.111 4.306 . 0 0 "[ . ]" 1
191 1 20 SER HA 1 22 GLN H 5.560 . 5.560 4.787 4.506 5.137 . 0 0 "[ . ]" 1
192 1 20 SER HA 1 23 GLU H 5.640 . 5.640 4.894 4.607 5.131 . 0 0 "[ . ]" 1
193 1 20 SER HA 1 24 ALA H 5.800 . 5.800 4.729 4.599 4.796 . 0 0 "[ . ]" 1
194 1 20 SER HG 1 21 ARG H 4.840 . 4.840 4.296 3.482 4.822 . 0 0 "[ . ]" 1
195 1 20 SER HG 1 22 GLN H 5.860 . 5.860 4.757 3.554 5.762 . 0 0 "[ . ]" 1
196 1 21 ARG H 1 22 GLN H 3.870 . 3.870 2.843 2.571 2.920 . 0 0 "[ . ]" 1
197 1 21 ARG H 1 23 GLU H 5.230 . 5.230 4.311 4.210 4.599 . 0 0 "[ . ]" 1
198 1 21 ARG H 1 24 ALA H 5.860 . 5.860 4.758 4.666 4.867 . 0 0 "[ . ]" 1
199 1 21 ARG HA 1 22 GLN HA 5.790 . 5.790 4.756 4.722 4.785 . 0 0 "[ . ]" 1
200 1 21 ARG HA 1 23 GLU H 5.180 . 5.180 4.657 4.419 4.957 . 0 0 "[ . ]" 1
201 1 21 ARG HA 1 24 ALA H 4.720 . 4.720 3.916 3.767 4.021 . 0 0 "[ . ]" 1
202 1 21 ARG HA 1 24 ALA MB 3.470 . 3.470 2.983 2.879 3.049 . 0 0 "[ . ]" 1
203 1 21 ARG HA 1 25 GLN H 4.640 . 4.640 3.978 3.779 4.203 . 0 0 "[ . ]" 1
204 1 21 ARG HE 1 21 ARG HH21 3.180 . 3.180 2.284 2.269 2.290 . 0 0 "[ . ]" 1
205 1 22 GLN H 1 22 GLN HE21 5.230 . 5.230 4.389 3.516 5.026 . 0 0 "[ . ]" 1
206 1 22 GLN H 1 23 GLU H 3.830 . 3.830 2.727 2.645 2.815 . 0 0 "[ . ]" 1
207 1 22 GLN H 1 24 ALA H 5.790 . 5.790 4.289 4.214 4.396 . 0 0 "[ . ]" 1
208 1 22 GLN H 1 25 GLN H 5.830 . 5.830 4.749 4.603 4.959 . 0 0 "[ . ]" 1
209 1 22 GLN HA 1 23 GLU HA 5.610 . 5.610 4.742 4.651 4.809 . 0 0 "[ . ]" 1
210 1 22 GLN HA 1 25 GLN H 5.100 . 5.100 3.749 3.498 3.980 . 0 0 "[ . ]" 1
211 1 22 GLN HA 1 26 THR H 5.580 . 5.580 4.224 3.827 4.813 . 0 0 "[ . ]" 1
212 1 23 GLU H 1 24 ALA H 3.730 . 3.730 2.636 2.417 2.827 . 0 0 "[ . ]" 1
213 1 23 GLU H 1 24 ALA MB 5.560 . 5.560 4.227 4.015 4.412 . 0 0 "[ . ]" 1
214 1 23 GLU H 1 25 GLN H 4.840 . 4.840 4.061 3.879 4.340 . 0 0 "[ . ]" 1
215 1 23 GLU H 1 26 THR H 5.810 . 5.810 4.787 4.647 4.998 . 0 0 "[ . ]" 1
216 1 23 GLU HA 1 24 ALA MB 5.810 . 5.810 5.012 4.984 5.032 . 0 0 "[ . ]" 1
217 1 23 GLU HA 1 25 GLN H 5.030 . 5.030 4.420 4.194 4.620 . 0 0 "[ . ]" 1
218 1 23 GLU HA 1 26 THR H 4.290 . 4.290 3.553 3.418 3.687 . 0 0 "[ . ]" 1
219 1 23 GLU HA 1 26 THR HB 4.310 . 4.310 3.837 2.424 4.309 . 0 0 "[ . ]" 1
220 1 23 GLU HA 1 26 THR MG . . 4.170 2.314 1.946 3.455 . 0 0 "[ . ]" 1
221 1 23 GLU HA 1 27 ARG H 5.380 . 5.380 4.424 4.236 4.704 . 0 0 "[ . ]" 1
222 1 24 ALA H 1 24 ALA MB 3.530 . 3.530 2.111 2.088 2.133 . 0 0 "[ . ]" 1
223 1 24 ALA H 1 25 GLN H 3.910 . 3.910 2.738 2.694 2.783 . 0 0 "[ . ]" 1
224 1 24 ALA H 1 26 THR H 5.580 . 5.580 4.300 4.103 4.467 . 0 0 "[ . ]" 1
225 1 24 ALA H 1 27 ARG H 5.770 . 5.770 4.919 4.787 5.032 . 0 0 "[ . ]" 1
226 1 24 ALA H 1 37 LEU QD 5.800 . 5.800 4.255 4.137 4.381 . 0 0 "[ . ]" 1
227 1 24 ALA MB 1 25 GLN H 4.870 . 4.870 2.491 2.418 2.574 . 0 0 "[ . ]" 1
228 1 24 ALA MB 1 25 GLN HA 5.700 . 5.700 3.697 3.653 3.755 . 0 0 "[ . ]" 1
229 1 24 ALA MB 1 26 THR H 5.670 . 5.670 4.572 4.433 4.736 . 0 0 "[ . ]" 1
230 1 24 ALA MB 1 28 LEU H 5.360 . 5.360 5.216 5.153 5.259 . 0 0 "[ . ]" 1
231 1 24 ALA MB 1 28 LEU MD1 5.220 . 5.220 3.375 3.143 3.716 . 0 0 "[ . ]" 1
232 1 24 ALA MB 1 28 LEU QD 3.600 . 3.600 3.335 3.118 3.658 0.058 6 0 "[ . ]" 1
233 1 24 ALA MB 1 28 LEU HG 5.150 . 5.150 4.576 4.347 4.793 . 0 0 "[ . ]" 1
234 1 24 ALA MB 1 37 LEU QD 4.400 . 4.400 1.886 1.744 2.056 0.056 2 0 "[ . ]" 1
235 1 24 ALA MB 1 37 LEU HG 5.750 . 5.750 3.781 3.632 3.930 . 0 0 "[ . ]" 1
236 1 25 GLN H 1 26 THR H 3.700 . 3.700 2.722 2.649 2.851 . 0 0 "[ . ]" 1
237 1 25 GLN H 1 26 THR HB 5.830 . 5.830 5.014 4.473 5.244 . 0 0 "[ . ]" 1
238 1 25 GLN H 1 27 ARG H 4.740 . 4.740 4.045 3.934 4.234 . 0 0 "[ . ]" 1
239 1 25 GLN H 1 28 LEU H 5.650 . 5.650 5.057 4.938 5.150 . 0 0 "[ . ]" 1
240 1 25 GLN HA 1 26 THR HA 5.690 . 5.690 4.703 4.647 4.826 . 0 0 "[ . ]" 1
241 1 25 GLN HA 1 27 ARG H 4.830 . 4.830 4.156 3.795 4.467 . 0 0 "[ . ]" 1
242 1 25 GLN HA 1 28 LEU H 4.220 . 4.220 3.669 3.352 3.907 . 0 0 "[ . ]" 1
243 1 25 GLN HA 1 28 LEU MD1 4.860 . 4.860 3.905 3.177 4.491 . 0 0 "[ . ]" 1
244 1 25 GLN HA 1 28 LEU HG 5.640 . 5.640 4.914 4.230 5.364 . 0 0 "[ . ]" 1
245 1 25 GLN HA 1 29 GLN H 5.160 . 5.160 4.577 4.022 4.975 . 0 0 "[ . ]" 1
246 1 26 THR H 1 26 THR HB 3.180 . 3.180 2.494 2.167 2.619 . 0 0 "[ . ]" 1
247 1 26 THR H 1 26 THR HG1 5.270 . 5.270 4.205 3.516 4.420 . 0 0 "[ . ]" 1
248 1 26 THR H 1 27 ARG H 3.570 . 3.570 2.591 2.447 2.746 . 0 0 "[ . ]" 1
249 1 26 THR H 1 28 LEU H 5.100 . 5.100 4.050 3.934 4.129 . 0 0 "[ . ]" 1
250 1 26 THR H 1 29 GLN H 5.610 . 5.610 4.868 4.616 5.211 . 0 0 "[ . ]" 1
251 1 26 THR HA 1 26 THR HG1 3.500 . 3.500 2.527 2.168 3.115 . 0 0 "[ . ]" 1
252 1 26 THR HA 1 27 ARG HA 5.600 . 5.600 4.699 4.620 4.790 . 0 0 "[ . ]" 1
253 1 26 THR HA 1 28 LEU H 5.120 . 5.120 3.783 3.641 3.961 . 0 0 "[ . ]" 1
254 1 26 THR HA 1 29 GLN H 4.230 . 4.230 3.279 2.946 3.543 . 0 0 "[ . ]" 1
255 1 26 THR HA 1 29 GLN HA 5.820 . 5.820 4.893 4.492 5.182 . 0 0 "[ . ]" 1
256 1 26 THR HB 1 27 ARG H 4.810 . 4.810 3.948 2.811 4.291 . 0 0 "[ . ]" 1
257 1 26 THR HG1 1 27 ARG H 5.360 . 5.360 4.661 4.338 5.196 . 0 0 "[ . ]" 1
258 1 26 THR MG 1 27 ARG H . . 4.630 2.702 2.439 2.956 . 0 0 "[ . ]" 1
259 1 26 THR MG 1 27 ARG HA 5.860 . 5.860 3.327 2.907 3.625 . 0 0 "[ . ]" 1
260 1 27 ARG H 1 28 LEU H 3.270 . 3.270 2.387 2.194 2.533 . 0 0 "[ . ]" 1
261 1 27 ARG H 1 28 LEU QD 5.880 . 5.880 4.489 4.235 4.734 . 0 0 "[ . ]" 1
262 1 27 ARG H 1 28 LEU HG 5.190 . 5.190 4.136 3.765 4.430 . 0 0 "[ . ]" 1
263 1 27 ARG H 1 29 GLN H 4.500 . 4.500 3.874 3.656 3.969 . 0 0 "[ . ]" 1
264 1 27 ARG HA 1 28 LEU HA 5.460 . 5.460 4.532 4.480 4.594 . 0 0 "[ . ]" 1
265 1 27 ARG HA 1 28 LEU HG 5.670 . 5.670 4.671 4.576 4.756 . 0 0 "[ . ]" 1
266 1 27 ARG HA 1 29 GLN H 4.910 . 4.910 4.196 4.048 4.368 . 0 0 "[ . ]" 1
267 1 27 ARG HE 1 27 ARG HH21 3.180 . 3.180 2.289 2.257 2.323 . 0 0 "[ . ]" 1
268 1 27 ARG HH11 1 37 LEU MD2 5.330 . 5.330 3.139 2.890 3.368 . 0 0 "[ . ]" 1
269 1 28 LEU H 1 28 LEU MD1 4.790 . 4.790 3.872 3.631 4.109 . 0 0 "[ . ]" 1
270 1 28 LEU H 1 28 LEU MD2 5.160 . 5.160 3.911 3.809 3.999 . 0 0 "[ . ]" 1
271 1 28 LEU H 1 28 LEU HG 3.630 . 3.630 2.943 2.659 3.246 . 0 0 "[ . ]" 1
272 1 28 LEU H 1 29 GLN H 3.120 . 3.120 2.108 1.910 2.367 . 0 0 "[ . ]" 1
273 1 28 LEU H 1 29 GLN HA 5.470 . 5.470 4.467 4.349 4.669 . 0 0 "[ . ]" 1
274 1 28 LEU H 1 37 LEU QD 5.810 . 5.810 4.335 4.155 4.490 . 0 0 "[ . ]" 1
275 1 28 LEU HA 1 28 LEU HG 3.900 . 3.900 3.013 2.971 3.072 . 0 0 "[ . ]" 1
276 1 28 LEU HA 1 29 GLN HA 5.570 . 5.570 4.752 4.682 4.836 . 0 0 "[ . ]" 1
277 1 28 LEU QD 1 36 PHE HA 4.070 . 4.070 2.615 2.378 2.913 . 0 0 "[ . ]" 1
278 1 28 LEU QD 1 37 LEU H 4.450 . 4.450 3.026 2.625 3.510 . 0 0 "[ . ]" 1
279 1 28 LEU QD 1 37 LEU QD 4.710 . 4.710 2.100 2.011 2.177 . 0 0 "[ . ]" 1
280 1 28 LEU QD 1 37 LEU HG 2.900 . 2.900 2.007 1.762 2.362 0.038 3 0 "[ . ]" 1
281 1 28 LEU HG 1 29 GLN H 5.520 . 5.520 4.699 4.469 4.921 . 0 0 "[ . ]" 1
282 1 28 LEU HG 1 37 LEU QD 3.380 . 3.380 2.446 2.176 2.655 . 0 0 "[ . ]" 1
283 1 28 LEU HG 1 37 LEU MD2 4.680 . 4.680 2.458 2.183 2.669 . 0 0 "[ . ]" 1
284 1 28 LEU HG 1 37 LEU HG 4.870 . 4.870 3.856 3.416 4.411 . 0 0 "[ . ]" 1
285 1 29 GLN H 1 30 GLY H 5.220 . 5.220 4.212 3.996 4.364 . 0 0 "[ . ]" 1
286 1 29 GLN H 1 31 GLN H 4.690 . 4.690 4.141 3.695 4.306 . 0 0 "[ . ]" 1
287 1 29 GLN HA 1 30 GLY H 3.060 . 3.060 2.208 2.127 2.333 . 0 0 "[ . ]" 1
288 1 29 GLN HA 1 30 GLY HA2 5.270 . 5.270 4.377 4.305 4.457 . 0 0 "[ . ]" 1
289 1 29 GLN HA 1 31 GLN H 4.550 . 4.550 3.903 3.675 4.554 0.004 1 0 "[ . ]" 1
290 1 30 GLY H 1 31 GLN H 3.620 . 3.620 2.711 2.441 3.578 . 0 0 "[ . ]" 1
291 1 30 GLY HA2 1 31 GLN HA 5.730 . 5.730 4.782 4.622 5.330 . 0 0 "[ . ]" 1
292 1 31 GLN H 1 32 ARG H 5.540 . 5.540 4.463 4.351 4.595 . 0 0 "[ . ]" 1
293 1 31 GLN HA 1 32 ARG HA 5.190 . 5.190 4.377 4.253 4.541 . 0 0 "[ . ]" 1
294 1 32 ARG H 1 32 ARG HE 5.110 . 5.110 4.209 3.866 4.689 . 0 0 "[ . ]" 1
295 1 32 ARG H 1 33 HIS H 5.520 . 5.520 4.133 1.955 4.609 . 0 0 "[ . ]" 1
296 1 32 ARG H 1 35 MET ME 3.870 . 3.870 2.930 2.470 3.506 . 0 0 "[ . ]" 1
297 1 32 ARG HA 1 33 HIS HA 5.220 . 5.220 4.450 4.300 5.093 . 0 0 "[ . ]" 1
298 1 32 ARG HE 1 32 ARG HH21 3.180 . 3.180 2.292 2.279 2.306 . 0 0 "[ . ]" 1
299 1 32 ARG HE 1 35 MET ME 4.690 . 4.690 3.215 2.410 3.907 . 0 0 "[ . ]" 1
300 1 33 HIS H 1 33 HIS HD2 4.570 . 4.570 3.708 3.287 4.154 . 0 0 "[ . ]" 1
301 1 33 HIS H 1 34 GLY H 5.430 . 5.430 4.503 4.301 4.595 . 0 0 "[ . ]" 1
302 1 33 HIS HA 1 33 HIS HD2 3.130 . 3.130 2.424 2.301 2.744 . 0 0 "[ . ]" 1
303 1 33 HIS HA 1 33 HIS HE2 5.610 . 5.610 4.844 4.745 5.040 . 0 0 "[ . ]" 1
304 1 33 HIS HA 1 34 GLY H 3.050 . 3.050 2.225 2.123 2.359 . 0 0 "[ . ]" 1
305 1 33 HIS HA 1 34 GLY HA2 5.310 . 5.310 4.482 4.408 4.590 . 0 0 "[ . ]" 1
306 1 33 HIS HA 1 35 MET H 4.560 . 4.560 3.098 2.924 3.236 . 0 0 "[ . ]" 1
307 1 33 HIS HD2 1 34 GLY H 4.960 . 4.960 4.247 3.905 4.370 . 0 0 "[ . ]" 1
308 1 34 GLY H 1 35 MET H 3.410 . 3.410 2.328 2.120 2.494 . 0 0 "[ . ]" 1
309 1 34 GLY HA2 1 35 MET HA 5.780 . 5.780 4.676 4.511 4.826 . 0 0 "[ . ]" 1
310 1 35 MET H 1 36 PHE H 5.530 . 5.530 4.559 4.474 4.614 . 0 0 "[ . ]" 1
311 1 35 MET HA 1 36 PHE H 3.130 . 3.130 2.242 2.205 2.269 . 0 0 "[ . ]" 1
312 1 35 MET HA 1 36 PHE HA 5.360 . 5.360 4.435 4.414 4.463 . 0 0 "[ . ]" 1
313 1 35 MET HA 1 36 PHE QD 4.950 . 4.950 3.563 3.408 3.744 . 0 0 "[ . ]" 1
314 1 36 PHE H 1 36 PHE QD . . 4.190 2.979 2.880 3.087 . 0 0 "[ . ]" 1
315 1 36 PHE H 1 37 LEU H 5.300 . 5.300 4.395 4.358 4.445 . 0 0 "[ . ]" 1
316 1 36 PHE HA 1 37 LEU H 3.370 . 3.370 2.375 2.322 2.414 . 0 0 "[ . ]" 1
317 1 36 PHE HA 1 37 LEU HA 5.490 . 5.490 4.493 4.463 4.520 . 0 0 "[ . ]" 1
318 1 36 PHE HA 1 37 LEU QD 5.490 . 5.490 4.161 4.015 4.297 . 0 0 "[ . ]" 1
319 1 36 PHE HA 1 37 LEU HG 4.700 . 4.700 3.800 3.726 3.913 . 0 0 "[ . ]" 1
320 1 36 PHE QD 1 37 LEU HA 3.610 . 3.610 3.078 2.882 3.270 . 0 0 "[ . ]" 1
321 1 36 PHE QD 1 37 LEU HG 5.660 . 5.660 5.315 5.157 5.415 . 0 0 "[ . ]" 1
322 1 36 PHE QD 1 38 VAL H 5.000 . 5.000 3.792 3.547 4.001 . 0 0 "[ . ]" 1
323 1 36 PHE QD 1 38 VAL HA 5.770 . 5.770 4.926 4.739 5.169 . 0 0 "[ . ]" 1
324 1 36 PHE QD 1 38 VAL QG 5.560 . 5.560 2.769 2.624 2.928 . 0 0 "[ . ]" 1
325 1 36 PHE QE 1 38 VAL H 5.040 . 5.040 4.425 4.130 4.702 . 0 0 "[ . ]" 1
326 1 36 PHE QE 1 38 VAL HB 5.490 . 5.490 4.974 4.748 5.305 . 0 0 "[ . ]" 1
327 1 36 PHE QE 1 38 VAL QG 5.000 . 5.000 2.988 2.764 3.356 . 0 0 "[ . ]" 1
328 1 37 LEU H 1 37 LEU HG 3.650 . 3.650 2.502 2.450 2.546 . 0 0 "[ . ]" 1
329 1 37 LEU H 1 38 VAL H 5.180 . 5.180 4.199 4.149 4.249 . 0 0 "[ . ]" 1
330 1 37 LEU H 1 38 VAL HA 5.500 . 5.500 4.657 4.627 4.689 . 0 0 "[ . ]" 1
331 1 37 LEU HA 1 38 VAL H 3.190 . 3.190 2.147 2.128 2.180 . 0 0 "[ . ]" 1
332 1 37 LEU HA 1 38 VAL HA 5.320 . 5.320 4.382 4.368 4.405 . 0 0 "[ . ]" 1
333 1 37 LEU HA 1 38 VAL HB 5.520 . 5.520 4.655 4.644 4.666 . 0 0 "[ . ]" 1
334 1 37 LEU QD 1 38 VAL H 5.840 . 5.840 3.666 3.536 3.760 . 0 0 "[ . ]" 1
335 1 37 LEU QD 1 38 VAL HA 5.790 . 5.790 3.393 3.295 3.480 . 0 0 "[ . ]" 1
336 1 37 LEU QD 1 39 ARG H 5.460 . 5.460 3.106 2.995 3.245 . 0 0 "[ . ]" 1
337 1 37 LEU HG 1 38 VAL H 5.470 . 5.470 4.900 4.839 4.958 . 0 0 "[ . ]" 1
338 1 37 LEU HG 1 38 VAL HA 5.750 . 5.750 5.256 5.171 5.349 . 0 0 "[ . ]" 1
339 1 38 VAL H 1 38 VAL HB 3.590 . 3.590 2.597 2.585 2.614 . 0 0 "[ . ]" 1
340 1 38 VAL H 1 39 ARG H 5.160 . 5.160 4.224 4.169 4.302 . 0 0 "[ . ]" 1
341 1 38 VAL HA 1 39 ARG H 3.040 . 3.040 2.146 2.133 2.171 . 0 0 "[ . ]" 1
342 1 38 VAL HA 1 39 ARG HA 5.290 . 5.290 4.395 4.389 4.404 . 0 0 "[ . ]" 1
343 1 38 VAL HB 1 39 ARG H 5.150 . 5.150 4.317 4.269 4.340 . 0 0 "[ . ]" 1
344 1 38 VAL HB 1 39 ARG HA 5.650 . 5.650 4.810 4.699 4.860 . 0 0 "[ . ]" 1
345 1 38 VAL QG 1 39 ARG H 5.480 . 5.480 2.989 2.866 3.053 . 0 0 "[ . ]" 1
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