NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412054 |
2b3a   |
6894 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2b3a
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 1432
_Distance_constraint_stats_list.Viol_count 3384
_Distance_constraint_stats_list.Viol_total 2786.121
_Distance_constraint_stats_list.Viol_max 0.524
_Distance_constraint_stats_list.Viol_rms 0.0523
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0195
_Distance_constraint_stats_list.Viol_average_violations_only 0.0823
_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 ASP 1.591 0.123 9 0 "[ . 1]"
1 2 CYS 2.349 0.123 9 0 "[ . 1]"
1 3 CYS 1.264 0.156 2 0 "[ . 1]"
1 4 ILE 1.029 0.123 9 0 "[ . 1]"
1 5 ILE 15.592 0.451 2 0 "[ . 1]"
1 6 ARG 5.794 0.204 7 0 "[ . 1]"
1 7 VAL 7.709 0.220 2 0 "[ . 1]"
1 8 SER 3.894 0.216 4 0 "[ . 1]"
1 9 LEU 8.535 0.415 5 0 "[ . 1]"
1 10 ASP 1.863 0.153 9 0 "[ . 1]"
1 11 VAL 3.169 0.274 10 0 "[ . 1]"
1 12 ASP 1.288 0.111 1 0 "[ . 1]"
1 13 ASN 1.563 0.316 5 0 "[ . 1]"
1 14 GLY 1.672 0.316 5 0 "[ . 1]"
1 15 ASN 1.091 0.163 8 0 "[ . 1]"
1 16 MET 2.318 0.209 1 0 "[ . 1]"
1 17 TYR 2.061 0.248 9 0 "[ . 1]"
1 18 LYS 2.305 0.125 2 0 "[ . 1]"
1 19 SER 1.379 0.141 3 0 "[ . 1]"
1 20 ILE 10.790 0.258 10 0 "[ . 1]"
1 21 LEU 6.065 0.188 10 0 "[ . 1]"
1 22 VAL 3.390 0.165 2 0 "[ . 1]"
1 23 THR 4.996 0.256 10 0 "[ . 1]"
1 24 SER 3.178 0.212 1 0 "[ . 1]"
1 25 GLN 0.938 0.121 9 0 "[ . 1]"
1 26 ASP 2.322 0.121 4 0 "[ . 1]"
1 27 LYS 4.393 0.167 5 0 "[ . 1]"
1 28 ALA 3.879 0.185 10 0 "[ . 1]"
1 29 PRO 2.352 0.173 1 0 "[ . 1]"
1 30 ALA 3.205 0.119 4 0 "[ . 1]"
1 31 VAL 11.666 0.438 8 0 "[ . 1]"
1 32 ILE 6.288 0.262 8 0 "[ . 1]"
1 33 ARG 9.749 0.245 4 0 "[ . 1]"
1 34 LYS 4.847 0.207 6 0 "[ . 1]"
1 35 ALA 5.158 0.243 2 0 "[ . 1]"
1 36 MET 4.701 0.217 8 0 "[ . 1]"
1 37 ASP 2.748 0.128 10 0 "[ . 1]"
1 38 LYS 5.272 0.149 7 0 "[ . 1]"
1 39 HIS 2.917 0.199 7 0 "[ . 1]"
1 40 ASN 0.571 0.235 1 0 "[ . 1]"
1 41 LEU 2.610 0.199 7 0 "[ . 1]"
1 42 GLU 0.477 0.081 5 0 "[ . 1]"
1 43 GLU 1.320 0.140 5 0 "[ . 1]"
1 44 GLU 2.232 0.210 6 0 "[ . 1]"
1 45 GLU 1.898 0.161 4 0 "[ . 1]"
1 46 PRO 2.055 0.132 5 0 "[ . 1]"
1 47 GLU 0.087 0.020 2 0 "[ . 1]"
1 48 ASP 2.072 0.161 4 0 "[ . 1]"
1 49 TYR 6.220 0.162 4 0 "[ . 1]"
1 50 GLU 4.758 0.261 1 0 "[ . 1]"
1 51 LEU 18.219 0.524 8 2 "[ - . + 1]"
1 52 LEU 6.672 0.229 6 0 "[ . 1]"
1 53 GLN 9.972 0.186 2 0 "[ . 1]"
1 54 ILE 8.693 0.290 7 0 "[ . 1]"
1 55 LEU 16.381 0.457 4 0 "[ . 1]"
1 56 SER 1.143 0.172 8 0 "[ . 1]"
1 57 ASP 1.502 0.270 4 0 "[ . 1]"
1 58 ASP 2.346 0.270 4 0 "[ . 1]"
1 59 ARG 1.484 0.101 7 0 "[ . 1]"
1 60 LYS 4.088 0.225 4 0 "[ . 1]"
1 61 LEU 2.444 0.163 9 0 "[ . 1]"
1 62 LYS 3.374 0.184 10 0 "[ . 1]"
1 63 ILE 9.167 0.213 4 0 "[ . 1]"
1 64 PRO 1.518 0.102 2 0 "[ . 1]"
1 65 GLU 2.662 0.182 3 0 "[ . 1]"
1 66 ASN 1.913 0.149 2 0 "[ . 1]"
1 67 ALA 2.522 0.165 4 0 "[ . 1]"
1 68 ASN 1.849 0.120 6 0 "[ . 1]"
1 69 VAL 5.620 0.196 6 0 "[ . 1]"
1 70 PHE 9.261 0.268 8 0 "[ . 1]"
1 71 TYR 6.831 0.269 3 0 "[ . 1]"
1 72 ALA 0.583 0.057 5 0 "[ . 1]"
1 73 MET 4.050 0.186 2 0 "[ . 1]"
1 74 ASN 5.641 0.234 6 0 "[ . 1]"
1 75 SER 2.327 0.234 6 0 "[ . 1]"
1 76 THR 1.120 0.167 4 0 "[ . 1]"
1 77 ALA 3.287 0.208 7 0 "[ . 1]"
1 78 ASN 2.434 0.230 9 0 "[ . 1]"
1 79 TYR 7.209 0.330 9 0 "[ . 1]"
1 80 ASP 2.816 0.161 9 0 "[ . 1]"
1 81 PHE 9.090 0.292 2 0 "[ . 1]"
1 82 VAL 4.444 0.250 4 0 "[ . 1]"
1 83 LEU 14.232 0.458 5 0 "[ . 1]"
1 84 LYS 4.875 0.398 9 0 "[ . 1]"
1 85 LYS 2.816 0.156 4 0 "[ . 1]"
1 86 ARG 4.342 0.190 2 0 "[ . 1]"
1 87 THR 2.876 0.287 7 0 "[ . 1]"
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 ASP HA 1 1 ASP HB2 2.680 2.360 2.910 2.758 2.483 3.004 0.094 2 0 "[ . 1]" 1
2 1 1 ASP HA 1 2 CYS H 2.760 2.500 3.020 2.422 2.377 2.464 0.123 9 0 "[ . 1]" 1
3 1 1 ASP HB2 1 2 CYS H 4.370 3.070 5.950 3.663 3.058 4.232 0.012 3 0 "[ . 1]" 1
4 1 1 ASP HB3 1 2 CYS H 4.650 2.810 6.220 3.495 2.744 4.425 0.066 6 0 "[ . 1]" 1
5 1 1 ASP HB3 1 24 SER H 4.190 3.050 6.680 4.719 4.148 5.635 . 0 0 "[ . 1]" 1
6 1 1 ASP HB2 1 24 SER H 5.530 . 7.990 3.802 3.035 5.421 . 0 0 "[ . 1]" 1
7 1 1 ASP HA 1 70 PHE HZ 3.760 2.970 4.550 4.442 4.183 4.640 0.090 9 0 "[ . 1]" 1
8 1 1 ASP HB2 1 70 PHE HZ 3.970 3.010 6.250 3.277 2.980 4.963 0.030 3 0 "[ . 1]" 1
9 1 1 ASP HA 1 70 PHE QE 4.220 3.050 5.390 4.654 4.073 4.943 . 0 0 "[ . 1]" 1
10 1 1 ASP HB3 1 70 PHE QD 5.270 3.120 7.960 4.890 3.691 6.358 . 0 0 "[ . 1]" 1
11 1 1 ASP HB3 1 70 PHE HZ 5.280 . 7.480 3.733 2.592 4.789 . 0 0 "[ . 1]" 1
12 1 1 ASP HB2 1 70 PHE QD 5.810 2.510 8.580 4.572 3.825 5.486 . 0 0 "[ . 1]" 1
13 1 2 CYS HA 1 2 CYS HB3 2.630 2.420 2.840 2.421 2.407 2.440 0.013 10 0 "[ . 1]" 1
14 1 2 CYS HA 1 2 CYS HB2 3.020 2.680 3.360 2.592 2.562 2.604 0.118 2 0 "[ . 1]" 1
15 1 2 CYS H 1 2 CYS HA 3.190 2.770 3.610 2.836 2.795 2.894 . 0 0 "[ . 1]" 1
16 1 2 CYS H 1 2 CYS HB2 3.680 2.930 4.430 3.867 3.670 3.987 . 0 0 "[ . 1]" 1
17 1 2 CYS H 1 2 CYS HB3 3.960 3.010 4.930 3.463 3.198 3.575 . 0 0 "[ . 1]" 1
18 1 2 CYS HA 1 3 CYS H 2.470 2.290 2.650 2.324 2.275 2.389 0.015 8 0 "[ . 1]" 1
19 1 2 CYS HB3 1 3 CYS H 3.570 2.930 4.210 3.899 3.757 4.051 . 0 0 "[ . 1]" 1
20 1 2 CYS HB2 1 21 LEU MD1 3.040 2.670 3.420 2.761 2.635 2.990 0.035 2 0 "[ . 1]" 1
21 1 2 CYS HB3 1 21 LEU MD1 3.650 2.920 4.380 3.450 2.992 3.894 . 0 0 "[ . 1]" 1
22 1 2 CYS HB3 1 21 LEU HG 3.740 2.970 4.520 4.055 3.603 4.539 0.019 9 0 "[ . 1]" 1
23 1 2 CYS HB2 1 23 THR MG 4.330 3.030 5.620 3.983 3.770 4.186 . 0 0 "[ . 1]" 1
24 1 2 CYS HA 1 23 THR MG 5.100 3.060 7.140 3.565 3.038 4.149 0.022 3 0 "[ . 1]" 1
25 1 2 CYS HB3 1 23 THR MG 5.360 3.060 7.660 3.086 3.022 3.184 0.038 9 0 "[ . 1]" 1
26 1 2 CYS HA 1 24 SER H 4.080 3.040 5.130 4.232 3.880 4.520 . 0 0 "[ . 1]" 1
27 1 2 CYS HB2 1 24 SER H 5.010 3.050 6.960 6.501 5.767 6.973 0.013 5 0 "[ . 1]" 1
28 1 2 CYS HA 1 70 PHE QE 4.220 3.050 5.400 3.488 3.020 3.762 0.030 9 0 "[ . 1]" 1
29 1 2 CYS H 1 70 PHE HZ 4.510 3.070 5.960 3.202 3.007 3.946 0.063 1 0 "[ . 1]" 1
30 1 2 CYS H 1 70 PHE QE 5.170 3.090 7.260 3.884 3.336 4.272 . 0 0 "[ . 1]" 1
31 1 2 CYS HA 1 70 PHE QD 5.920 3.020 8.810 5.557 5.178 5.903 . 0 0 "[ . 1]" 1
32 1 3 CYS H 1 3 CYS HB3 3.110 2.730 3.500 3.193 2.815 3.656 0.156 2 0 "[ . 1]" 1
33 1 3 CYS H 1 3 CYS HA 3.460 2.890 4.030 2.886 2.855 2.906 0.035 9 0 "[ . 1]" 1
34 1 3 CYS HB2 1 4 ILE H 3.440 2.880 4.000 3.935 3.700 4.028 0.028 10 0 "[ . 1]" 1
35 1 3 CYS H 1 4 ILE H 4.410 3.030 5.780 4.282 4.242 4.333 . 0 0 "[ . 1]" 1
36 1 3 CYS HB2 1 4 ILE MD 6.020 3.010 9.010 6.066 5.085 6.992 . 0 0 "[ . 1]" 1
37 1 3 CYS H 1 22 VAL MG1 3.430 2.870 3.990 2.853 2.773 2.977 0.097 2 0 "[ . 1]" 1
38 1 3 CYS H 1 22 VAL HB 4.120 3.030 5.230 5.181 5.056 5.242 0.012 9 0 "[ . 1]" 1
39 1 3 CYS H 1 22 VAL MG2 6.180 3.010 9.340 4.726 4.456 4.883 . 0 0 "[ . 1]" 1
40 1 3 CYS H 1 23 THR HA 4.190 3.050 5.340 3.906 3.618 4.201 . 0 0 "[ . 1]" 1
41 1 3 CYS HB2 1 70 PHE QE 3.290 2.810 3.770 3.026 2.755 3.405 0.055 9 0 "[ . 1]" 1
42 1 3 CYS H 1 70 PHE QE 4.590 3.050 6.130 3.807 3.293 4.322 . 0 0 "[ . 1]" 1
43 1 3 CYS HB2 1 70 PHE HZ 4.780 3.060 6.510 3.697 3.011 5.127 0.049 6 0 "[ . 1]" 1
44 1 3 CYS H 1 70 PHE QD 6.140 3.030 9.250 5.703 5.271 6.112 . 0 0 "[ . 1]" 1
45 1 4 ILE HB 1 4 ILE HG13 2.740 2.490 2.990 2.570 2.457 3.005 0.033 9 0 "[ . 1]" 1
46 1 4 ILE H 1 4 ILE MD 3.660 2.950 4.370 3.693 2.858 4.366 0.092 7 0 "[ . 1]" 1
47 1 4 ILE MG 1 5 ILE H 3.320 2.820 3.820 2.928 2.795 3.751 0.025 5 0 "[ . 1]" 1
48 1 4 ILE H 1 5 ILE H 4.330 3.080 5.580 4.331 4.301 4.362 . 0 0 "[ . 1]" 1
49 1 4 ILE MG 1 5 ILE HA 4.540 3.040 6.020 3.752 3.445 4.077 . 0 0 "[ . 1]" 1
50 1 4 ILE MG 1 5 ILE HB 4.810 3.040 6.560 5.482 5.269 5.746 . 0 0 "[ . 1]" 1
51 1 4 ILE H 1 5 ILE MG 5.150 3.080 7.240 3.732 3.605 3.920 . 0 0 "[ . 1]" 1
52 1 4 ILE HB 1 5 ILE MD 5.800 3.110 8.490 7.265 6.350 7.465 . 0 0 "[ . 1]" 1
53 1 4 ILE MG 1 5 ILE MD 6.100 2.940 9.170 5.727 4.823 6.401 . 0 0 "[ . 1]" 1
54 1 4 ILE MG 1 19 SER HB2 4.120 3.010 5.230 4.069 3.850 5.280 0.050 10 0 "[ . 1]" 1
55 1 4 ILE MG 1 19 SER HB3 4.150 3.020 5.280 3.368 2.897 4.258 0.123 9 0 "[ . 1]" 1
56 1 4 ILE MG 1 19 SER HA 4.820 3.070 6.580 4.555 3.792 5.942 . 0 0 "[ . 1]" 1
57 1 4 ILE MG 1 20 ILE H 4.200 3.050 5.370 4.162 3.651 5.407 0.037 10 0 "[ . 1]" 1
58 1 4 ILE MD 1 79 TYR QE 6.070 3.080 9.070 5.930 4.827 6.717 . 0 0 "[ . 1]" 1
59 1 5 ILE HA 1 5 ILE HB 2.570 2.370 2.770 2.366 2.297 2.398 0.073 2 0 "[ . 1]" 1
60 1 5 ILE HB 1 5 ILE HG12 2.670 2.440 2.900 3.003 2.510 3.069 0.169 10 0 "[ . 1]" 1
61 1 5 ILE HA 1 5 ILE MG 3.110 2.730 3.490 2.578 2.551 2.689 0.179 10 0 "[ . 1]" 1
62 1 5 ILE HB 1 5 ILE MD 3.200 2.780 3.620 2.826 2.720 3.566 0.060 10 0 "[ . 1]" 1
63 1 5 ILE HG13 1 5 ILE MG 3.500 2.890 4.120 3.401 2.876 3.489 0.014 2 0 "[ . 1]" 1
64 1 5 ILE HG12 1 5 ILE MG 3.690 2.950 4.430 2.785 2.664 3.393 0.286 10 0 "[ . 1]" 1
65 1 5 ILE H 1 5 ILE MD 4.020 3.040 5.000 3.977 2.856 4.165 0.184 2 0 "[ . 1]" 1
66 1 5 ILE MD 1 5 ILE MG 4.220 3.050 5.390 2.684 2.599 2.707 0.451 2 0 "[ . 1]" 1
67 1 5 ILE HA 1 5 ILE HG12 4.230 3.060 5.410 3.746 3.574 3.826 . 0 0 "[ . 1]" 1
68 1 5 ILE HA 1 5 ILE MD 4.570 3.070 6.090 4.469 4.234 4.506 . 0 0 "[ . 1]" 1
69 1 5 ILE HA 1 5 ILE HG13 5.030 3.090 6.980 3.641 3.510 4.330 . 0 0 "[ . 1]" 1
70 1 5 ILE HB 1 6 ARG H 2.330 2.170 2.490 2.484 2.312 2.528 0.038 3 0 "[ . 1]" 1
71 1 5 ILE HA 1 6 ARG H 2.450 2.280 2.620 2.367 2.285 2.438 . 0 0 "[ . 1]" 1
72 1 5 ILE HG12 1 6 ARG H 4.320 3.030 5.600 4.419 3.064 4.704 . 0 0 "[ . 1]" 1
73 1 5 ILE MG 1 6 ARG H 4.480 3.040 5.910 4.021 3.962 4.067 . 0 0 "[ . 1]" 1
74 1 5 ILE HB 1 6 ARG HB3 4.870 3.080 6.680 5.096 4.813 5.319 . 0 0 "[ . 1]" 1
75 1 5 ILE MD 1 6 ARG H 5.190 3.120 7.260 4.444 4.201 4.631 . 0 0 "[ . 1]" 1
76 1 5 ILE HA 1 6 ARG HG3 5.220 3.040 7.380 6.151 5.460 6.441 . 0 0 "[ . 1]" 1
77 1 5 ILE MD 1 6 ARG HG3 6.020 3.070 8.970 7.471 6.868 7.947 . 0 0 "[ . 1]" 1
78 1 5 ILE MD 1 7 VAL MG2 3.520 2.880 4.160 2.780 2.739 2.870 0.141 3 0 "[ . 1]" 1
79 1 5 ILE HB 1 7 VAL MG2 4.610 3.040 6.160 4.281 4.091 4.595 . 0 0 "[ . 1]" 1
80 1 5 ILE MD 1 7 VAL HB 4.770 3.110 6.430 5.398 5.273 5.466 . 0 0 "[ . 1]" 1
81 1 5 ILE MD 1 18 LYS HG3 4.680 3.050 6.300 6.399 6.354 6.425 0.125 2 0 "[ . 1]" 1
82 1 5 ILE HG12 1 20 ILE HB 2.940 2.620 3.260 2.639 2.517 3.310 0.103 9 0 "[ . 1]" 1
83 1 5 ILE H 1 20 ILE H 2.950 2.630 3.270 3.001 2.735 3.287 0.017 2 0 "[ . 1]" 1
84 1 5 ILE HG13 1 20 ILE MD 3.830 3.000 4.660 4.768 4.684 4.886 0.226 2 0 "[ . 1]" 1
85 1 5 ILE MD 1 20 ILE MD 4.250 3.010 5.460 4.075 2.859 4.345 0.151 2 0 "[ . 1]" 1
86 1 5 ILE MD 1 20 ILE HG13 4.500 3.050 5.950 3.041 2.992 3.164 0.058 2 0 "[ . 1]" 1
87 1 5 ILE HG12 1 20 ILE MD 4.790 3.070 6.520 5.113 4.885 5.375 . 0 0 "[ . 1]" 1
88 1 5 ILE MD 1 20 ILE HG12 5.410 3.070 7.760 3.328 3.013 4.177 0.057 8 0 "[ . 1]" 1
89 1 5 ILE MG 1 20 ILE HG13 5.570 3.040 8.090 6.337 6.284 6.374 . 0 0 "[ . 1]" 1
90 1 5 ILE MD 1 22 VAL MG1 4.030 3.040 5.020 3.084 2.920 3.321 0.120 2 0 "[ . 1]" 1
91 1 5 ILE MG 1 22 VAL H 5.450 3.060 7.840 3.700 3.391 3.886 . 0 0 "[ . 1]" 1
92 1 5 ILE MD 1 22 VAL MG2 5.920 3.040 8.800 3.535 3.373 3.871 . 0 0 "[ . 1]" 1
93 1 5 ILE HB 1 22 VAL MG1 5.960 2.950 8.890 4.625 4.481 4.986 . 0 0 "[ . 1]" 1
94 1 5 ILE MD 1 35 ALA MB 4.140 3.060 5.220 3.291 3.103 3.940 . 0 0 "[ . 1]" 1
95 1 5 ILE HG12 1 51 LEU MD1 4.650 3.090 6.220 6.030 4.975 6.249 0.029 9 0 "[ . 1]" 1
96 1 5 ILE HA 1 79 TYR HB2 2.680 2.440 2.920 2.815 2.563 3.000 0.080 6 0 "[ . 1]" 1
97 1 5 ILE HA 1 79 TYR QD 3.640 2.950 4.330 3.086 2.895 3.536 0.055 7 0 "[ . 1]" 1
98 1 5 ILE MG 1 79 TYR HB3 4.030 3.030 5.030 4.049 3.510 4.297 . 0 0 "[ . 1]" 1
99 1 5 ILE HA 1 79 TYR HB3 4.060 3.040 5.080 4.313 4.098 4.507 . 0 0 "[ . 1]" 1
100 1 5 ILE MG 1 79 TYR HB2 4.540 3.100 5.980 3.240 3.074 3.431 0.026 2 0 "[ . 1]" 1
101 1 5 ILE MG 1 79 TYR QD 5.020 3.090 6.970 4.393 3.593 4.878 . 0 0 "[ . 1]" 1
102 1 5 ILE HB 1 81 PHE QD 3.240 2.790 3.690 2.853 2.777 3.009 0.013 7 0 "[ . 1]" 1
103 1 5 ILE MG 1 81 PHE QE 3.400 2.870 3.930 2.758 2.719 2.777 0.151 10 0 "[ . 1]" 1
104 1 5 ILE HA 1 81 PHE QE 4.390 3.050 5.740 3.633 3.363 4.002 . 0 0 "[ . 1]" 1
105 1 5 ILE MD 1 81 PHE QD 4.870 3.110 6.630 3.715 3.295 4.756 . 0 0 "[ . 1]" 1
106 1 5 ILE MD 1 81 PHE HB2 4.960 3.080 6.860 3.952 3.340 4.988 . 0 0 "[ . 1]" 1
107 1 5 ILE HA 1 81 PHE QD 5.140 3.040 7.220 4.375 4.110 4.608 . 0 0 "[ . 1]" 1
108 1 5 ILE HG12 1 81 PHE QD 5.500 3.060 7.950 5.333 3.949 5.629 . 0 0 "[ . 1]" 1
109 1 5 ILE HG13 1 81 PHE QD 5.890 3.080 8.710 4.306 3.536 4.702 . 0 0 "[ . 1]" 1
110 1 5 ILE MD 1 81 PHE QE 5.950 3.090 8.810 3.669 3.251 4.476 . 0 0 "[ . 1]" 1
111 1 5 ILE MD 1 81 PHE HB3 6.540 3.050 10.050 4.698 3.977 5.838 . 0 0 "[ . 1]" 1
112 1 6 ARG HB3 1 6 ARG HD2 2.560 2.350 2.770 2.565 2.358 2.790 0.020 7 0 "[ . 1]" 1
113 1 6 ARG HB2 1 6 ARG HG3 2.620 2.390 2.860 2.364 2.307 2.409 0.083 4 0 "[ . 1]" 1
114 1 6 ARG HD3 1 6 ARG HG3 2.660 2.430 2.890 2.441 2.381 2.577 0.049 9 0 "[ . 1]" 1
115 1 6 ARG HD2 1 6 ARG HG3 3.010 2.660 3.370 3.015 2.987 3.035 . 0 0 "[ . 1]" 1
116 1 6 ARG HA 1 6 ARG HB3 3.120 2.710 3.540 2.993 2.925 3.041 . 0 0 "[ . 1]" 1
117 1 6 ARG HE 1 6 ARG HG3 3.150 2.740 3.560 3.131 2.638 3.643 0.102 3 0 "[ . 1]" 1
118 1 6 ARG HB2 1 6 ARG HE 3.500 2.900 4.100 3.284 2.784 4.253 0.153 4 0 "[ . 1]" 1
119 1 6 ARG HB3 1 6 ARG HD3 3.610 2.930 4.290 3.661 3.538 3.732 . 0 0 "[ . 1]" 1
120 1 6 ARG HB3 1 6 ARG HE 3.980 3.010 4.960 3.134 2.806 3.534 0.204 7 0 "[ . 1]" 1
121 1 6 ARG HB2 1 6 ARG HD2 4.230 3.070 5.390 3.516 3.314 3.794 . 0 0 "[ . 1]" 1
122 1 6 ARG HA 1 7 VAL H 2.320 2.160 2.480 2.312 2.241 2.373 . 0 0 "[ . 1]" 1
123 1 6 ARG H 1 7 VAL H 4.100 3.050 5.150 4.490 4.442 4.559 . 0 0 "[ . 1]" 1
124 1 6 ARG HG3 1 7 VAL HA 4.480 3.020 5.920 5.782 5.351 6.067 0.147 4 0 "[ . 1]" 1
125 1 6 ARG HB2 1 7 VAL H 4.610 3.110 6.110 4.155 4.026 4.241 . 0 0 "[ . 1]" 1
126 1 6 ARG HA 1 7 VAL MG1 4.900 3.050 6.740 5.565 5.460 5.651 . 0 0 "[ . 1]" 1
127 1 6 ARG HD2 1 8 SER HB3 3.360 2.830 3.900 3.838 3.204 4.002 0.102 9 0 "[ . 1]" 1
128 1 6 ARG HB3 1 16 MET ME 3.980 3.020 4.940 4.957 4.608 5.091 0.151 2 0 "[ . 1]" 1
129 1 6 ARG HE 1 16 MET HG2 4.010 3.020 5.010 4.310 3.216 5.077 0.067 7 0 "[ . 1]" 1
130 1 6 ARG HD3 1 16 MET HB3 5.250 3.060 7.440 3.805 3.000 4.698 0.060 6 0 "[ . 1]" 1
131 1 6 ARG HA 1 19 SER HA 2.540 2.340 2.750 2.291 2.199 2.412 0.141 3 0 "[ . 1]" 1
132 1 6 ARG HG3 1 19 SER HA 3.870 3.000 4.740 4.241 2.984 4.865 0.125 7 0 "[ . 1]" 1
133 1 6 ARG HG2 1 19 SER HA 4.500 3.090 5.910 3.996 3.335 4.810 . 0 0 "[ . 1]" 1
134 1 6 ARG H 1 79 TYR QD 3.720 2.960 4.480 3.154 2.895 4.404 0.065 5 0 "[ . 1]" 1
135 1 6 ARG H 1 79 TYR HB2 3.730 2.970 4.500 3.429 3.075 3.555 . 0 0 "[ . 1]" 1
136 1 6 ARG H 1 80 ASP HA 3.230 2.780 3.680 3.254 3.077 3.524 . 0 0 "[ . 1]" 1
137 1 6 ARG HB2 1 80 ASP HA 3.440 2.890 3.990 3.714 2.917 4.023 0.033 7 0 "[ . 1]" 1
138 1 6 ARG HG3 1 80 ASP HA 4.610 3.090 6.140 5.064 4.822 5.551 . 0 0 "[ . 1]" 1
139 1 6 ARG H 1 81 PHE QD 3.710 2.970 4.450 2.895 2.834 2.947 0.136 10 0 "[ . 1]" 1
140 1 6 ARG H 1 81 PHE H 4.290 3.060 5.520 4.052 3.648 4.364 . 0 0 "[ . 1]" 1
141 1 6 ARG HB2 1 81 PHE H 4.540 3.100 5.980 5.002 4.292 5.386 . 0 0 "[ . 1]" 1
142 1 6 ARG H 1 81 PHE QE 4.600 3.100 6.100 3.556 3.092 4.137 0.008 10 0 "[ . 1]" 1
143 1 7 VAL H 1 7 VAL HB 2.850 2.570 3.130 2.633 2.537 2.709 0.033 2 0 "[ . 1]" 1
144 1 7 VAL H 1 7 VAL HA 2.940 2.610 3.280 2.925 2.887 2.954 . 0 0 "[ . 1]" 1
145 1 7 VAL HA 1 7 VAL HB 3.070 2.700 3.440 3.001 2.956 3.025 . 0 0 "[ . 1]" 1
146 1 7 VAL HA 1 7 VAL MG1 3.280 2.800 3.760 2.620 2.600 2.656 0.200 1 0 "[ . 1]" 1
147 1 7 VAL HA 1 7 VAL MG2 3.390 2.850 3.930 2.685 2.630 2.711 0.220 2 0 "[ . 1]" 1
148 1 7 VAL H 1 7 VAL MG1 3.950 3.020 4.890 4.041 3.960 4.078 . 0 0 "[ . 1]" 1
149 1 7 VAL H 1 7 VAL MG2 4.310 3.050 5.580 2.978 2.950 3.030 0.100 4 0 "[ . 1]" 1
150 1 7 VAL HA 1 8 SER H 2.330 2.170 2.490 2.184 2.145 2.280 0.025 8 0 "[ . 1]" 1
151 1 7 VAL HB 1 8 SER HB3 4.390 3.050 5.740 5.723 5.585 5.906 0.166 8 0 "[ . 1]" 1
152 1 7 VAL MG1 1 8 SER HB2 4.590 3.060 6.130 5.342 4.824 5.583 . 0 0 "[ . 1]" 1
153 1 7 VAL H 1 17 TYR HB3 4.140 3.060 5.220 5.077 4.551 5.284 0.064 7 0 "[ . 1]" 1
154 1 7 VAL HA 1 17 TYR QD 5.260 3.050 7.460 6.533 5.913 7.155 . 0 0 "[ . 1]" 1
155 1 7 VAL H 1 17 TYR QD 6.060 3.020 9.100 6.055 5.235 6.578 . 0 0 "[ . 1]" 1
156 1 7 VAL HB 1 18 LYS HG3 3.820 2.940 4.680 3.021 2.913 3.225 0.027 5 0 "[ . 1]" 1
157 1 7 VAL HB 1 18 LYS HE3 4.500 3.050 5.960 5.731 5.487 6.002 0.042 5 0 "[ . 1]" 1
158 1 7 VAL H 1 18 LYS HA 5.070 3.090 7.060 4.729 4.535 4.841 . 0 0 "[ . 1]" 1
159 1 7 VAL H 1 19 SER HA 3.600 2.910 4.300 3.313 3.043 3.968 . 0 0 "[ . 1]" 1
160 1 7 VAL MG1 1 20 ILE HG12 3.610 2.900 4.310 4.380 4.346 4.489 0.179 2 0 "[ . 1]" 1
161 1 7 VAL MG2 1 20 ILE H 3.780 2.990 4.570 3.480 2.954 4.005 0.036 2 0 "[ . 1]" 1
162 1 7 VAL HB 1 20 ILE MD 4.490 3.030 5.930 3.819 3.084 5.348 . 0 0 "[ . 1]" 1
163 1 7 VAL H 1 20 ILE H 4.520 3.060 5.990 4.770 4.521 5.005 . 0 0 "[ . 1]" 1
164 1 7 VAL H 1 20 ILE MD 5.960 3.050 8.890 5.095 4.355 6.748 . 0 0 "[ . 1]" 1
165 1 7 VAL HB 1 39 HIS HD2 4.620 3.080 6.180 4.400 3.516 4.771 . 0 0 "[ . 1]" 1
166 1 7 VAL HA 1 54 ILE MD 5.240 3.060 7.420 6.372 5.909 6.714 . 0 0 "[ . 1]" 1
167 1 7 VAL HA 1 81 PHE H 2.870 2.570 3.180 2.916 2.667 3.207 0.027 3 0 "[ . 1]" 1
168 1 7 VAL HA 1 81 PHE HB2 3.200 2.770 3.630 2.804 2.722 2.998 0.048 6 0 "[ . 1]" 1
169 1 7 VAL MG1 1 81 PHE HB2 3.430 2.870 3.990 3.640 3.129 4.011 0.021 2 0 "[ . 1]" 1
170 1 7 VAL HA 1 81 PHE HB3 4.110 3.040 5.180 4.161 3.987 4.314 . 0 0 "[ . 1]" 1
171 1 7 VAL MG2 1 81 PHE HB2 4.370 3.060 5.700 3.025 2.957 3.196 0.103 3 0 "[ . 1]" 1
172 1 7 VAL MG1 1 81 PHE HB3 4.900 3.050 6.740 4.187 3.935 4.606 . 0 0 "[ . 1]" 1
173 1 7 VAL MG2 1 81 PHE HB3 5.060 3.020 7.060 4.095 3.791 4.489 . 0 0 "[ . 1]" 1
174 1 7 VAL MG2 1 81 PHE H 5.180 3.050 7.300 4.497 4.156 4.644 . 0 0 "[ . 1]" 1
175 1 7 VAL MG2 1 81 PHE QD 5.350 3.090 7.630 4.119 3.704 4.447 . 0 0 "[ . 1]" 1
176 1 7 VAL HB 1 81 PHE H 5.750 2.960 8.460 5.790 5.530 6.054 . 0 0 "[ . 1]" 1
177 1 7 VAL HA 1 82 VAL MG2 5.440 3.060 7.820 4.747 4.302 5.007 . 0 0 "[ . 1]" 1
178 1 7 VAL MG1 1 83 LEU HA 4.850 3.070 6.630 5.220 4.821 5.766 . 0 0 "[ . 1]" 1
179 1 8 SER HA 1 8 SER HB2 2.620 2.400 2.840 2.606 2.392 2.675 0.008 8 0 "[ . 1]" 1
180 1 8 SER HA 1 8 SER HB3 3.250 2.800 3.700 2.658 2.584 3.057 0.216 4 0 "[ . 1]" 1
181 1 8 SER H 1 8 SER HB3 3.550 2.910 4.190 3.195 2.811 3.362 0.099 8 0 "[ . 1]" 1
182 1 8 SER H 1 8 SER HB2 5.090 3.120 7.060 3.804 3.370 3.949 . 0 0 "[ . 1]" 1
183 1 8 SER HB3 1 9 LEU H 3.560 2.920 4.200 4.108 3.810 4.191 . 0 0 "[ . 1]" 1
184 1 8 SER HB2 1 9 LEU H 3.990 3.030 4.950 3.011 2.893 3.850 0.137 5 0 "[ . 1]" 1
185 1 8 SER HB2 1 16 MET H 3.710 2.960 4.460 3.512 2.939 4.485 0.025 10 0 "[ . 1]" 1
186 1 8 SER HB2 1 17 TYR HB2 3.840 2.940 4.710 4.037 3.307 4.728 0.018 5 0 "[ . 1]" 1
187 1 8 SER HB3 1 17 TYR QE 4.960 3.030 6.860 5.815 4.726 6.948 0.088 6 0 "[ . 1]" 1
188 1 8 SER HB2 1 17 TYR QE 5.410 3.070 7.770 4.921 3.617 6.557 . 0 0 "[ . 1]" 1
189 1 8 SER HB3 1 17 TYR QD 5.800 3.040 8.560 4.046 3.195 4.966 . 0 0 "[ . 1]" 1
190 1 8 SER HB2 1 17 TYR QD 6.270 3.070 9.480 3.560 3.034 4.791 0.036 8 0 "[ . 1]" 1
191 1 8 SER HA 1 39 HIS HE1 3.740 2.970 4.510 3.120 2.933 3.665 0.037 3 0 "[ . 1]" 1
192 1 8 SER H 1 81 PHE HB2 4.420 3.030 5.800 4.188 3.937 4.502 . 0 0 "[ . 1]" 1
193 1 8 SER H 1 82 VAL MG1 4.020 3.010 5.040 4.572 4.198 4.971 . 0 0 "[ . 1]" 1
194 1 8 SER HB2 1 82 VAL MG1 4.160 3.010 5.300 4.683 4.381 5.100 . 0 0 "[ . 1]" 1
195 1 8 SER HB3 1 82 VAL MG1 6.590 3.050 10.130 5.305 3.811 5.803 . 0 0 "[ . 1]" 1
196 1 9 LEU H 1 9 LEU HB2 2.790 2.520 3.070 2.573 2.503 2.719 0.017 5 0 "[ . 1]" 1
197 1 9 LEU HB3 1 9 LEU HG 3.020 2.670 3.370 3.007 2.942 3.032 . 0 0 "[ . 1]" 1
198 1 9 LEU H 1 9 LEU HA 3.160 2.750 3.570 2.942 2.919 2.961 . 0 0 "[ . 1]" 1
199 1 9 LEU HB2 1 9 LEU MD2 3.230 2.750 3.700 3.265 3.213 3.293 . 0 0 "[ . 1]" 1
200 1 9 LEU MD1 1 9 LEU MD2 3.370 2.850 3.890 2.441 2.435 2.450 0.415 5 0 "[ . 1]" 1
201 1 9 LEU H 1 9 LEU HG 3.550 2.920 4.180 2.849 2.790 2.905 0.130 9 0 "[ . 1]" 1
202 1 9 LEU HB3 1 9 LEU MD1 3.730 2.970 4.500 2.778 2.754 2.820 0.216 9 0 "[ . 1]" 1
203 1 9 LEU H 1 9 LEU MD1 5.420 3.110 7.740 3.860 3.686 3.946 . 0 0 "[ . 1]" 1
204 1 9 LEU MD2 1 10 ASP H 3.480 2.880 4.080 3.480 3.211 4.063 . 0 0 "[ . 1]" 1
205 1 9 LEU HB2 1 10 ASP H 3.640 2.940 4.340 3.863 3.644 4.061 . 0 0 "[ . 1]" 1
206 1 9 LEU H 1 10 ASP H 4.290 3.060 5.530 4.487 4.331 4.564 . 0 0 "[ . 1]" 1
207 1 9 LEU HG 1 10 ASP H 5.110 3.110 7.110 4.926 4.733 5.341 . 0 0 "[ . 1]" 1
208 1 9 LEU MD1 1 10 ASP H 5.440 3.100 7.790 4.996 4.804 5.393 . 0 0 "[ . 1]" 1
209 1 9 LEU MD1 1 10 ASP HB2 5.710 3.110 8.310 6.973 6.211 7.386 . 0 0 "[ . 1]" 1
210 1 9 LEU HB2 1 11 VAL H 4.670 3.110 6.230 3.809 3.309 4.692 . 0 0 "[ . 1]" 1
211 1 9 LEU MD2 1 11 VAL HA 4.770 3.090 6.460 6.224 5.249 6.481 0.021 9 0 "[ . 1]" 1
212 1 9 LEU MD1 1 11 VAL MG2 6.250 3.050 9.470 4.521 4.280 5.124 . 0 0 "[ . 1]" 1
213 1 9 LEU HB3 1 12 ASP H 3.650 2.900 4.380 3.217 2.842 3.953 0.058 1 0 "[ . 1]" 1
214 1 9 LEU MD2 1 17 TYR QE 6.540 3.040 10.070 5.086 3.889 6.142 . 0 0 "[ . 1]" 1
215 1 9 LEU MD1 1 39 HIS HB3 4.550 3.060 6.050 3.051 2.927 3.234 0.133 9 0 "[ . 1]" 1
216 1 9 LEU MD1 1 39 HIS HD2 4.730 3.090 6.390 5.326 4.818 5.642 . 0 0 "[ . 1]" 1
217 1 9 LEU MD1 1 39 HIS HB2 4.930 3.090 6.780 4.047 3.623 4.458 . 0 0 "[ . 1]" 1
218 1 9 LEU H 1 82 VAL MG1 4.820 3.070 6.590 4.338 3.926 4.704 . 0 0 "[ . 1]" 1
219 1 9 LEU MD2 1 83 LEU HB3 3.240 2.800 3.680 3.000 2.727 3.587 0.073 1 0 "[ . 1]" 1
220 1 9 LEU HG 1 83 LEU MD2 4.030 3.010 5.050 4.359 4.076 5.057 0.007 8 0 "[ . 1]" 1
221 1 10 ASP H 1 10 ASP HA 2.900 2.580 3.220 2.854 2.733 2.924 . 0 0 "[ . 1]" 1
222 1 10 ASP HA 1 10 ASP HB3 2.940 2.620 3.260 3.030 3.012 3.044 . 0 0 "[ . 1]" 1
223 1 10 ASP H 1 10 ASP HB3 3.040 2.680 3.400 2.652 2.611 2.752 0.069 8 0 "[ . 1]" 1
224 1 10 ASP HB2 1 11 VAL H 4.070 3.030 5.110 3.632 3.418 3.957 . 0 0 "[ . 1]" 1
225 1 10 ASP HB3 1 11 VAL MG1 4.110 3.010 5.210 4.939 4.458 5.268 0.058 6 0 "[ . 1]" 1
226 1 10 ASP HA 1 82 VAL MG1 3.280 2.800 3.770 2.884 2.704 3.417 0.096 5 0 "[ . 1]" 1
227 1 10 ASP HB2 1 82 VAL MG1 3.730 2.940 4.510 3.021 2.787 3.767 0.153 9 0 "[ . 1]" 1
228 1 10 ASP H 1 82 VAL HB 4.620 3.070 6.180 6.086 5.515 6.267 0.087 3 0 "[ . 1]" 1
229 1 10 ASP HB2 1 84 LYS HG3 4.530 3.020 6.480 4.915 3.526 5.609 . 0 0 "[ . 1]" 1
230 1 10 ASP HB2 1 84 LYS HG2 5.010 2.540 6.950 4.979 4.071 6.212 . 0 0 "[ . 1]" 1
231 1 10 ASP HB2 1 85 LYS H 4.170 3.050 5.290 3.784 3.001 4.262 0.049 3 0 "[ . 1]" 1
232 1 10 ASP HB3 1 85 LYS H 4.330 3.070 5.590 3.861 3.059 4.525 0.011 7 0 "[ . 1]" 1
233 1 11 VAL H 1 11 VAL HA 2.930 2.620 3.240 2.730 2.660 2.807 . 0 0 "[ . 1]" 1
234 1 11 VAL H 1 11 VAL MG1 3.730 2.980 4.480 3.145 2.823 3.903 0.157 3 0 "[ . 1]" 1
235 1 11 VAL HA 1 11 VAL MG1 5.770 3.080 8.480 3.173 2.806 3.346 0.274 10 0 "[ . 1]" 1
236 1 11 VAL HA 1 12 ASP H 3.080 2.710 3.450 3.479 3.461 3.496 0.046 10 0 "[ . 1]" 1
237 1 11 VAL HB 1 12 ASP H 3.720 2.950 4.500 3.738 2.949 4.129 0.001 10 0 "[ . 1]" 1
238 1 11 VAL H 1 12 ASP H 3.730 2.970 4.490 2.966 2.899 3.129 0.071 10 0 "[ . 1]" 1
239 1 11 VAL MG1 1 12 ASP HB2 4.850 3.060 6.630 3.027 2.982 3.089 0.078 5 0 "[ . 1]" 1
240 1 11 VAL MG1 1 12 ASP HB3 5.110 3.050 7.160 3.466 3.028 4.312 0.022 7 0 "[ . 1]" 1
241 1 11 VAL HA 1 13 ASN H 4.510 3.020 5.980 5.366 4.941 5.834 . 0 0 "[ . 1]" 1
242 1 11 VAL HB 1 13 ASN H 4.950 3.050 6.850 6.434 5.113 7.002 0.152 5 0 "[ . 1]" 1
243 1 11 VAL MG1 1 13 ASN H 6.250 3.020 9.480 5.248 4.140 5.924 . 0 0 "[ . 1]" 1
244 1 11 VAL MG1 1 17 TYR QE 6.500 3.050 9.960 5.136 3.312 6.831 . 0 0 "[ . 1]" 1
245 1 12 ASP H 1 12 ASP HB3 3.030 2.680 3.390 2.932 2.752 3.125 . 0 0 "[ . 1]" 1
246 1 12 ASP HB3 1 13 ASN H 4.010 3.010 5.030 3.930 2.899 4.466 0.111 1 0 "[ . 1]" 1
247 1 12 ASP HB2 1 17 TYR QE 4.890 3.060 6.720 4.859 3.932 5.922 . 0 0 "[ . 1]" 1
248 1 13 ASN HB2 1 13 ASN HD21 2.450 2.270 2.630 2.310 2.247 2.704 0.074 9 0 "[ . 1]" 1
249 1 13 ASN H 1 13 ASN HA 2.900 2.590 3.210 2.834 2.709 2.931 . 0 0 "[ . 1]" 1
250 1 13 ASN H 1 13 ASN HB3 3.260 2.780 3.750 2.945 2.716 3.644 0.064 8 0 "[ . 1]" 1
251 1 13 ASN HB2 1 13 ASN HD22 3.450 2.880 4.020 3.508 3.479 3.640 . 0 0 "[ . 1]" 1
252 1 13 ASN HB3 1 13 ASN HD22 3.540 2.910 4.170 3.971 3.767 4.104 . 0 0 "[ . 1]" 1
253 1 13 ASN HB3 1 13 ASN HD21 3.820 2.910 4.680 3.313 2.914 3.528 . 0 0 "[ . 1]" 1
254 1 13 ASN HA 1 14 GLY H 2.660 2.420 2.910 2.560 2.312 3.226 0.316 5 0 "[ . 1]" 1
255 1 13 ASN H 1 14 GLY HA3 4.320 2.990 5.610 5.112 4.435 5.569 . 0 0 "[ . 1]" 1
256 1 14 GLY H 1 14 GLY HA2 2.800 2.540 3.060 2.865 2.733 2.923 . 0 0 "[ . 1]" 1
257 1 14 GLY HA2 1 15 ASN H 2.790 2.510 3.080 2.892 2.347 3.169 0.163 8 0 "[ . 1]" 1
258 1 14 GLY H 1 15 ASN H 3.210 2.770 3.650 3.199 2.631 3.806 0.156 8 0 "[ . 1]" 1
259 1 15 ASN H 1 15 ASN HB2 2.830 2.530 4.160 3.214 2.520 4.061 0.010 8 0 "[ . 1]" 1
260 1 15 ASN HB3 1 15 ASN HD21 2.830 2.530 4.130 3.158 2.435 3.489 0.095 1 0 "[ . 1]" 1
261 1 15 ASN HB2 1 15 ASN HD22 3.510 2.890 4.700 3.594 3.463 4.047 . 0 0 "[ . 1]" 1
262 1 15 ASN H 1 15 ASN HB3 3.860 . 4.750 3.285 2.476 3.815 . 0 0 "[ . 1]" 1
263 1 15 ASN HB3 1 15 ASN HD22 4.070 2.460 5.130 3.911 3.582 4.068 . 0 0 "[ . 1]" 1
264 1 16 MET H 1 16 MET HA 2.280 2.130 2.430 2.269 2.183 2.639 0.209 1 0 "[ . 1]" 1
265 1 16 MET HB2 1 16 MET HG3 2.540 2.350 2.730 2.408 2.328 2.522 0.022 2 0 "[ . 1]" 1
266 1 16 MET HA 1 16 MET HB3 2.640 2.420 2.860 2.695 2.474 2.991 0.131 5 0 "[ . 1]" 1
267 1 16 MET HB3 1 16 MET HG2 2.780 2.510 3.060 2.543 2.446 2.947 0.064 5 0 "[ . 1]" 1
268 1 16 MET HA 1 16 MET HB2 2.990 2.650 3.340 2.827 2.547 3.017 0.103 5 0 "[ . 1]" 1
269 1 16 MET HB3 1 16 MET HG3 3.510 2.910 4.110 2.976 2.818 3.009 0.092 8 0 "[ . 1]" 1
270 1 16 MET HB2 1 16 MET HG2 3.710 2.940 4.480 3.001 2.838 3.052 0.102 8 0 "[ . 1]" 1
271 1 16 MET H 1 16 MET HG3 3.850 2.990 4.710 3.908 3.029 4.759 0.049 1 0 "[ . 1]" 1
272 1 16 MET HG2 1 17 TYR H 3.990 3.010 4.980 3.937 3.001 4.984 0.009 3 0 "[ . 1]" 1
273 1 17 TYR HB3 1 17 TYR QD 2.910 2.590 3.230 2.553 2.477 2.857 0.113 8 0 "[ . 1]" 1
274 1 17 TYR H 1 17 TYR QD 3.630 2.940 4.320 3.790 2.921 4.382 0.062 3 0 "[ . 1]" 1
275 1 17 TYR HA 1 17 TYR QD 4.960 3.110 6.810 3.046 2.862 3.103 0.248 9 0 "[ . 1]" 1
276 1 17 TYR HB3 1 18 LYS HB2 4.810 3.040 6.560 5.089 4.801 5.695 . 0 0 "[ . 1]" 1
277 1 17 TYR QE 1 39 HIS HB3 4.340 3.070 5.620 5.516 4.999 5.761 0.141 9 0 "[ . 1]" 1
278 1 18 LYS HB2 1 18 LYS HD3 2.620 2.390 2.860 2.518 2.411 2.620 . 0 0 "[ . 1]" 1
279 1 18 LYS HD3 1 18 LYS HE2 2.840 2.560 3.120 2.590 2.554 2.672 0.006 4 0 "[ . 1]" 1
280 1 18 LYS H 1 18 LYS HB3 3.460 2.880 4.040 3.325 2.947 3.527 . 0 0 "[ . 1]" 1
281 1 18 LYS HE3 1 18 LYS HG2 3.590 2.890 4.280 2.819 2.808 2.836 0.082 9 0 "[ . 1]" 1
282 1 18 LYS HD3 1 18 LYS HE3 3.750 2.960 4.560 3.027 3.008 3.047 . 0 0 "[ . 1]" 1
283 1 18 LYS H 1 18 LYS HB2 3.830 2.950 4.690 3.929 3.804 3.987 . 0 0 "[ . 1]" 1
284 1 18 LYS H 1 18 LYS HE2 3.930 2.990 4.880 4.761 4.197 4.945 0.065 5 0 "[ . 1]" 1
285 1 18 LYS HE2 1 18 LYS HG3 4.120 3.050 5.190 3.717 3.622 3.772 . 0 0 "[ . 1]" 1
286 1 18 LYS HD2 1 18 LYS HE2 4.130 2.980 5.240 3.028 3.002 3.047 . 0 0 "[ . 1]" 1
287 1 18 LYS HB3 1 19 SER H 4.100 3.010 5.190 3.687 3.571 3.766 . 0 0 "[ . 1]" 1
288 1 18 LYS HE2 1 38 LYS HG3 4.060 2.960 5.120 4.817 4.214 5.145 0.025 4 0 "[ . 1]" 1
289 1 18 LYS HE3 1 39 HIS HD2 3.490 2.890 4.090 4.068 3.846 4.124 0.034 9 0 "[ . 1]" 1
290 1 18 LYS HG2 1 39 HIS HE1 3.540 2.900 4.190 3.527 3.005 4.007 . 0 0 "[ . 1]" 1
291 1 18 LYS HB3 1 39 HIS HD2 4.650 3.040 6.250 5.964 5.570 6.292 0.042 7 0 "[ . 1]" 1
292 1 18 LYS HD3 1 39 HIS HD2 4.970 3.070 6.890 4.646 4.302 5.218 . 0 0 "[ . 1]" 1
293 1 19 SER H 1 19 SER HB2 2.840 2.560 3.120 2.682 2.515 2.986 0.045 9 0 "[ . 1]" 1
294 1 19 SER H 1 19 SER HA 3.540 2.910 4.170 2.913 2.899 2.923 0.011 7 0 "[ . 1]" 1
295 1 19 SER HA 1 20 ILE H 2.280 2.130 2.430 2.257 2.207 2.319 . 0 0 "[ . 1]" 1
296 1 19 SER HA 1 20 ILE HA 4.420 3.050 5.800 4.493 4.361 4.587 . 0 0 "[ . 1]" 1
297 1 20 ILE HG12 1 20 ILE MG 2.650 2.430 2.870 3.091 2.967 3.128 0.258 10 0 "[ . 1]" 1
298 1 20 ILE H 1 20 ILE HB 2.800 2.530 3.070 2.787 2.474 2.907 0.056 2 0 "[ . 1]" 1
299 1 20 ILE HA 1 20 ILE MG 2.990 2.660 3.320 2.550 2.493 2.740 0.167 3 0 "[ . 1]" 1
300 1 20 ILE H 1 20 ILE HA 3.130 2.740 3.520 2.972 2.936 2.989 . 0 0 "[ . 1]" 1
301 1 20 ILE HB 1 20 ILE MD 3.350 2.820 3.880 3.283 2.768 3.367 0.052 2 0 "[ . 1]" 1
302 1 20 ILE H 1 20 ILE MG 4.440 3.060 5.830 4.050 3.835 4.129 . 0 0 "[ . 1]" 1
303 1 20 ILE HA 1 20 ILE MD 4.650 3.090 6.220 2.974 2.842 3.770 0.248 10 0 "[ . 1]" 1
304 1 20 ILE H 1 20 ILE MD 4.750 3.060 6.440 3.766 3.398 4.655 . 0 0 "[ . 1]" 1
305 1 20 ILE HA 1 21 LEU H 2.370 2.200 2.540 2.236 2.194 2.308 0.006 7 0 "[ . 1]" 1
306 1 20 ILE MG 1 21 LEU H 3.770 2.980 4.560 2.879 2.847 2.925 0.133 2 0 "[ . 1]" 1
307 1 20 ILE H 1 21 LEU H 4.460 3.090 5.830 4.366 4.247 4.423 . 0 0 "[ . 1]" 1
308 1 20 ILE MD 1 21 LEU H 5.940 3.060 8.850 4.526 3.753 4.834 . 0 0 "[ . 1]" 1
309 1 20 ILE MD 1 35 ALA MB 2.880 2.590 3.170 3.137 2.451 3.243 0.139 2 0 "[ . 1]" 1
310 1 20 ILE HG12 1 35 ALA MB 3.320 2.780 3.840 3.625 3.407 4.052 0.212 2 0 "[ . 1]" 1
311 1 20 ILE MD 1 35 ALA HA 3.350 2.850 3.850 2.884 2.607 3.076 0.243 2 0 "[ . 1]" 1
312 1 20 ILE HG13 1 35 ALA HA 3.820 2.970 4.680 3.206 3.083 3.534 . 0 0 "[ . 1]" 1
313 1 20 ILE MG 1 35 ALA HA 4.040 3.020 5.070 3.811 3.304 5.075 0.005 2 0 "[ . 1]" 1
314 1 20 ILE HB 1 35 ALA HA 4.270 3.060 5.490 5.478 5.347 5.604 0.114 2 0 "[ . 1]" 1
315 1 20 ILE MD 1 35 ALA H 4.550 3.090 6.010 4.872 3.059 5.368 0.031 2 0 "[ . 1]" 1
316 1 20 ILE MD 1 36 MET H 5.190 3.090 7.300 5.688 4.813 5.925 . 0 0 "[ . 1]" 1
317 1 20 ILE MG 1 38 LYS HE2 5.530 3.030 8.010 4.582 3.785 5.563 . 0 0 "[ . 1]" 1
318 1 21 LEU HB2 1 21 LEU HG 2.370 2.210 2.530 2.551 2.540 2.562 0.032 2 0 "[ . 1]" 1
319 1 21 LEU H 1 21 LEU HB3 2.590 2.390 2.790 2.345 2.302 2.509 0.088 6 0 "[ . 1]" 1
320 1 21 LEU HB3 1 21 LEU MD2 2.630 2.400 2.860 2.345 2.333 2.401 0.067 10 0 "[ . 1]" 1
321 1 21 LEU H 1 21 LEU HA 2.930 2.620 3.240 2.872 2.857 2.907 . 0 0 "[ . 1]" 1
322 1 21 LEU HB3 1 21 LEU MD1 2.960 2.630 3.300 2.585 2.576 2.598 0.054 5 0 "[ . 1]" 1
323 1 21 LEU HB2 1 21 LEU MD1 3.070 2.680 3.460 2.522 2.501 2.530 0.179 2 0 "[ . 1]" 1
324 1 21 LEU H 1 21 LEU MD2 3.240 2.800 3.680 3.727 2.675 3.868 0.188 10 0 "[ . 1]" 1
325 1 21 LEU H 1 21 LEU MD1 5.070 3.080 7.080 4.453 4.398 4.496 . 0 0 "[ . 1]" 1
326 1 21 LEU HG 1 22 VAL H 3.440 2.870 4.020 3.189 2.867 3.431 0.003 9 0 "[ . 1]" 1
327 1 21 LEU HB2 1 22 VAL H 4.440 3.050 5.830 4.090 3.173 4.281 . 0 0 "[ . 1]" 1
328 1 21 LEU HB3 1 22 VAL H 4.490 3.050 5.940 4.332 4.241 4.443 . 0 0 "[ . 1]" 1
329 1 21 LEU H 1 22 VAL H 5.910 3.080 8.750 4.354 4.240 4.539 . 0 0 "[ . 1]" 1
330 1 22 VAL HA 1 22 VAL HB 2.460 2.270 2.660 2.380 2.347 2.426 . 0 0 "[ . 1]" 1
331 1 22 VAL H 1 22 VAL HB 2.860 2.570 3.150 3.001 2.861 3.115 . 0 0 "[ . 1]" 1
332 1 22 VAL H 1 22 VAL HA 3.190 2.770 3.610 2.912 2.899 2.931 . 0 0 "[ . 1]" 1
333 1 22 VAL HA 1 22 VAL MG2 3.350 2.840 3.860 2.704 2.675 2.722 0.165 2 0 "[ . 1]" 1
334 1 22 VAL HA 1 22 VAL MG1 3.990 3.030 4.950 3.286 3.270 3.306 . 0 0 "[ . 1]" 1
335 1 22 VAL H 1 22 VAL MG2 5.280 3.090 7.480 3.976 3.929 4.015 . 0 0 "[ . 1]" 1
336 1 22 VAL HA 1 23 THR H 2.300 2.150 2.450 2.264 2.179 2.366 . 0 0 "[ . 1]" 1
337 1 22 VAL MG2 1 23 THR H 3.540 2.920 4.170 2.811 2.780 2.841 0.140 1 0 "[ . 1]" 1
338 1 22 VAL H 1 23 THR H 4.300 3.080 5.520 4.462 4.394 4.507 . 0 0 "[ . 1]" 1
339 1 22 VAL HB 1 23 THR H 4.310 3.050 5.580 4.172 4.137 4.242 . 0 0 "[ . 1]" 1
340 1 22 VAL MG1 1 23 THR H 4.990 3.070 6.910 4.023 3.930 4.137 . 0 0 "[ . 1]" 1
341 1 22 VAL MG2 1 26 ASP HB2 4.410 3.050 5.770 4.295 3.931 4.670 . 0 0 "[ . 1]" 1
342 1 22 VAL MG2 1 26 ASP H 4.850 3.100 6.600 4.067 3.840 4.348 . 0 0 "[ . 1]" 1
343 1 22 VAL HB 1 69 VAL MG1 4.630 3.050 6.200 3.678 3.416 3.976 . 0 0 "[ . 1]" 1
344 1 22 VAL HB 1 70 PHE QE 4.320 3.070 5.580 5.452 5.119 5.651 0.071 4 0 "[ . 1]" 1
345 1 22 VAL MG2 1 70 PHE H 4.580 3.080 6.080 4.540 4.233 4.894 . 0 0 "[ . 1]" 1
346 1 22 VAL MG2 1 70 PHE QD 4.670 3.100 6.240 3.451 3.113 4.146 . 0 0 "[ . 1]" 1
347 1 22 VAL MG2 1 70 PHE QE 5.330 3.080 7.590 3.100 3.041 3.285 0.039 6 0 "[ . 1]" 1
348 1 22 VAL MG1 1 70 PHE QD 5.560 3.110 8.010 3.717 3.132 4.143 . 0 0 "[ . 1]" 1
349 1 22 VAL HB 1 70 PHE QD 6.010 3.030 8.990 6.227 5.794 6.577 . 0 0 "[ . 1]" 1
350 1 23 THR HA 1 23 THR HB 2.730 2.490 2.970 2.563 2.530 2.600 . 0 0 "[ . 1]" 1
351 1 23 THR H 1 23 THR HA 3.470 2.890 4.050 2.934 2.915 2.948 . 0 0 "[ . 1]" 1
352 1 23 THR HA 1 23 THR MG 3.520 2.910 4.140 2.677 2.654 2.698 0.256 10 0 "[ . 1]" 1
353 1 23 THR H 1 23 THR MG 4.030 3.040 5.020 2.951 2.922 2.976 0.118 8 0 "[ . 1]" 1
354 1 23 THR HB 1 24 SER H 2.570 2.370 2.780 2.448 2.335 2.649 0.035 8 0 "[ . 1]" 1
355 1 23 THR HA 1 24 SER H 2.780 2.520 3.040 2.474 2.456 2.494 0.064 3 0 "[ . 1]" 1
356 1 23 THR H 1 24 SER H 4.580 3.090 6.080 4.530 4.492 4.613 . 0 0 "[ . 1]" 1
357 1 23 THR MG 1 24 SER H 5.250 3.080 7.440 3.875 3.822 3.950 . 0 0 "[ . 1]" 1
358 1 23 THR HA 1 25 GLN H 6.690 3.040 10.360 4.166 3.896 4.604 . 0 0 "[ . 1]" 1
359 1 23 THR MG 1 25 GLN H 6.760 3.030 10.500 4.379 4.128 4.811 . 0 0 "[ . 1]" 1
360 1 23 THR H 1 26 ASP HB3 3.990 3.030 4.950 3.673 3.208 4.809 . 0 0 "[ . 1]" 1
361 1 23 THR H 1 26 ASP HB2 4.130 3.020 5.240 3.995 3.552 4.827 . 0 0 "[ . 1]" 1
362 1 23 THR H 1 26 ASP H 4.880 3.090 6.680 4.166 3.676 4.715 . 0 0 "[ . 1]" 1
363 1 23 THR MG 1 70 PHE HZ 4.590 3.040 6.130 5.226 4.691 5.601 . 0 0 "[ . 1]" 1
364 1 24 SER HA 1 24 SER HB3 3.010 2.680 3.340 2.609 2.468 3.066 0.212 1 0 "[ . 1]" 1
365 1 24 SER H 1 24 SER HB3 3.030 2.680 3.380 2.953 2.645 3.575 0.195 6 0 "[ . 1]" 1
366 1 24 SER H 1 24 SER HB2 4.090 3.040 5.140 3.252 2.842 3.607 0.198 6 0 "[ . 1]" 1
367 1 24 SER H 1 25 GLN H 2.540 2.350 2.730 2.605 2.477 2.731 0.001 10 0 "[ . 1]" 1
368 1 24 SER H 1 25 GLN HB3 4.100 3.040 5.170 4.827 4.586 5.145 . 0 0 "[ . 1]" 1
369 1 24 SER HA 1 26 ASP H 3.650 2.950 4.350 3.738 3.415 4.130 . 0 0 "[ . 1]" 1
370 1 24 SER HB3 1 70 PHE QD 4.770 3.100 6.440 3.906 3.069 4.763 0.031 5 0 "[ . 1]" 1
371 1 24 SER HB2 1 70 PHE QD 5.220 3.060 7.380 4.302 3.034 5.572 0.026 3 0 "[ . 1]" 1
372 1 24 SER HB2 1 70 PHE QE 5.630 3.110 8.150 4.328 3.104 5.033 0.006 4 0 "[ . 1]" 1
373 1 25 GLN HB3 1 25 GLN HG2 2.240 2.080 2.860 2.564 2.406 2.920 0.060 8 0 "[ . 1]" 1
374 1 25 GLN HA 1 25 GLN HB2 2.470 2.270 2.670 2.441 2.356 2.530 . 0 0 "[ . 1]" 1
375 1 25 GLN HA 1 25 GLN HG2 2.530 2.330 4.140 3.192 2.388 3.984 . 0 0 "[ . 1]" 1
376 1 25 GLN HB3 1 25 GLN HG3 2.700 . 2.960 2.876 2.415 2.996 0.036 5 0 "[ . 1]" 1
377 1 25 GLN H 1 25 GLN HA 2.920 2.610 3.230 2.867 2.840 2.946 . 0 0 "[ . 1]" 1
378 1 25 GLN HA 1 25 GLN HB3 3.110 2.730 3.490 2.945 2.624 3.048 0.106 9 0 "[ . 1]" 1
379 1 25 GLN HE22 1 25 GLN HG3 3.800 2.970 5.020 3.984 3.795 4.082 . 0 0 "[ . 1]" 1
380 1 25 GLN HA 1 25 GLN HG3 3.930 . 4.870 3.106 2.559 3.696 . 0 0 "[ . 1]" 1
381 1 25 GLN H 1 25 GLN HG3 4.290 3.070 5.820 4.367 3.636 4.657 . 0 0 "[ . 1]" 1
382 1 25 GLN HE21 1 25 GLN HG3 4.380 3.070 6.840 3.351 3.009 3.568 0.061 10 0 "[ . 1]" 1
383 1 25 GLN H 1 25 GLN HG2 4.590 2.790 6.090 4.102 2.669 4.739 0.121 9 0 "[ . 1]" 1
384 1 25 GLN H 1 26 ASP H 2.610 2.390 2.830 2.554 2.397 2.762 . 0 0 "[ . 1]" 1
385 1 25 GLN HB3 1 26 ASP H 4.060 3.020 5.110 3.435 2.973 4.405 0.047 8 0 "[ . 1]" 1
386 1 25 GLN HE21 1 26 ASP HB2 4.300 3.070 5.540 4.550 3.103 5.608 0.068 10 0 "[ . 1]" 1
387 1 25 GLN HB2 1 26 ASP HA 4.670 3.050 6.290 5.493 4.909 5.878 . 0 0 "[ . 1]" 1
388 1 25 GLN HG3 1 26 ASP H 4.690 3.080 7.370 4.803 3.391 5.395 . 0 0 "[ . 1]" 1
389 1 25 GLN HG2 1 26 ASP H 5.750 2.020 8.430 4.272 2.772 5.892 . 0 0 "[ . 1]" 1
390 1 26 ASP H 1 26 ASP HB2 2.580 2.380 2.780 2.718 2.568 2.849 0.069 9 0 "[ . 1]" 1
391 1 26 ASP H 1 26 ASP HA 2.910 2.610 3.220 2.934 2.894 2.952 . 0 0 "[ . 1]" 1
392 1 26 ASP HA 1 26 ASP HB2 3.000 2.630 3.360 2.608 2.590 2.638 0.040 6 0 "[ . 1]" 1
393 1 26 ASP H 1 26 ASP HB3 3.550 2.920 4.180 2.858 2.825 2.897 0.095 3 0 "[ . 1]" 1
394 1 26 ASP HA 1 27 LYS H 2.260 2.110 2.410 2.204 2.086 2.471 0.061 5 0 "[ . 1]" 1
395 1 26 ASP HB3 1 27 LYS H 3.820 2.980 4.680 3.753 2.971 4.069 0.009 5 0 "[ . 1]" 1
396 1 26 ASP HB2 1 27 LYS H 4.520 3.080 5.970 4.176 3.779 4.405 . 0 0 "[ . 1]" 1
397 1 26 ASP H 1 27 LYS H 4.620 3.060 6.180 4.423 4.221 4.528 . 0 0 "[ . 1]" 1
398 1 26 ASP HB3 1 30 ALA MB 4.720 3.100 6.340 4.471 4.216 4.771 . 0 0 "[ . 1]" 1
399 1 26 ASP HB2 1 30 ALA MB 5.230 3.020 7.400 4.815 4.587 5.027 . 0 0 "[ . 1]" 1
400 1 26 ASP HB3 1 31 VAL MG2 3.820 2.960 4.680 2.865 2.839 2.888 0.121 4 0 "[ . 1]" 1
401 1 26 ASP HB3 1 31 VAL H 4.260 3.050 5.480 5.404 5.172 5.515 0.035 10 0 "[ . 1]" 1
402 1 26 ASP HB2 1 31 VAL MG2 4.340 3.040 5.640 4.200 4.046 4.269 . 0 0 "[ . 1]" 1
403 1 27 LYS HB3 1 27 LYS HD3 2.040 . 2.810 2.478 2.324 2.860 0.050 8 0 "[ . 1]" 1
404 1 27 LYS HE3 1 27 LYS HG2 2.180 2.050 3.570 3.565 3.196 3.668 0.098 5 0 "[ . 1]" 1
405 1 27 LYS HD2 1 27 LYS HG3 2.220 2.070 2.980 2.429 2.358 2.455 . 0 0 "[ . 1]" 1
406 1 27 LYS H 1 27 LYS HB2 2.440 2.260 2.620 2.321 2.244 2.502 0.016 6 0 "[ . 1]" 1
407 1 27 LYS HA 1 27 LYS HB3 2.620 2.400 2.850 2.732 2.559 2.914 0.064 7 0 "[ . 1]" 1
408 1 27 LYS HB3 1 27 LYS HD2 2.680 . 2.930 2.906 2.587 2.958 0.028 9 0 "[ . 1]" 1
409 1 27 LYS HD3 1 27 LYS HG3 2.830 . 3.110 2.995 2.962 3.039 . 0 0 "[ . 1]" 1
410 1 27 LYS HA 1 27 LYS HB2 3.050 2.690 3.410 2.910 2.789 2.995 . 0 0 "[ . 1]" 1
411 1 27 LYS HE2 1 27 LYS HG2 3.440 . 4.000 2.942 2.527 3.159 . 0 0 "[ . 1]" 1
412 1 27 LYS HA 1 27 LYS HG3 3.640 2.950 4.340 2.988 2.783 3.723 0.167 5 0 "[ . 1]" 1
413 1 27 LYS HE3 1 27 LYS HG3 3.680 2.970 5.470 3.473 2.842 3.722 0.128 9 0 "[ . 1]" 1
414 1 27 LYS H 1 27 LYS HG3 3.720 2.960 4.490 3.616 2.877 4.473 0.083 1 0 "[ . 1]" 1
415 1 27 LYS HE2 1 27 LYS HG3 4.760 2.030 6.410 2.593 2.293 3.223 . 0 0 "[ . 1]" 1
416 1 27 LYS HA 1 28 ALA H 2.630 2.420 2.840 2.389 2.355 2.431 0.065 8 0 "[ . 1]" 1
417 1 27 LYS HB3 1 28 ALA H 2.680 2.450 2.910 2.627 2.403 2.950 0.047 1 0 "[ . 1]" 1
418 1 27 LYS HB2 1 28 ALA H 3.940 3.000 4.890 3.808 3.675 3.971 . 0 0 "[ . 1]" 1
419 1 27 LYS HG3 1 28 ALA H 4.480 3.070 5.910 4.218 3.452 4.828 . 0 0 "[ . 1]" 1
420 1 27 LYS HB3 1 28 ALA HA 4.480 3.040 5.910 4.639 4.540 4.693 . 0 0 "[ . 1]" 1
421 1 27 LYS H 1 28 ALA H 4.590 3.090 6.100 4.540 4.471 4.585 . 0 0 "[ . 1]" 1
422 1 27 LYS HB3 1 29 PRO HD3 4.830 . 6.590 3.789 3.577 3.945 . 0 0 "[ . 1]" 1
423 1 27 LYS H 1 29 PRO HD2 5.060 3.120 8.760 4.929 4.690 5.148 . 0 0 "[ . 1]" 1
424 1 27 LYS H 1 29 PRO HD3 6.820 . 10.570 6.677 6.461 6.881 . 0 0 "[ . 1]" 1
425 1 27 LYS HB3 1 30 ALA H 3.210 2.770 3.650 3.409 2.898 3.768 0.118 8 0 "[ . 1]" 1
426 1 27 LYS H 1 30 ALA MB 3.510 2.910 4.110 2.888 2.826 3.085 0.084 9 0 "[ . 1]" 1
427 1 27 LYS HB2 1 30 ALA H 3.620 2.940 4.310 3.800 3.290 4.381 0.071 7 0 "[ . 1]" 1
428 1 27 LYS H 1 30 ALA H 4.240 3.050 5.450 4.276 4.127 4.409 . 0 0 "[ . 1]" 1
429 1 27 LYS HA 1 30 ALA MB 5.530 3.080 7.990 4.805 4.651 5.081 . 0 0 "[ . 1]" 1
430 1 27 LYS H 1 31 VAL MG2 5.060 3.040 7.060 3.821 3.229 3.994 . 0 0 "[ . 1]" 1
431 1 27 LYS HE3 1 68 ASN HD21 4.780 3.010 6.940 5.653 3.654 6.960 0.020 5 0 "[ . 1]" 1
432 1 27 LYS HG2 1 68 ASN HD22 4.850 3.120 6.580 4.372 3.385 5.622 . 0 0 "[ . 1]" 1
433 1 27 LYS HE2 1 68 ASN HD21 5.220 2.560 7.380 5.228 4.019 7.275 . 0 0 "[ . 1]" 1
434 1 27 LYS HE3 1 68 ASN HD22 5.690 3.090 9.080 5.126 3.086 6.637 0.004 8 0 "[ . 1]" 1
435 1 27 LYS HE2 1 68 ASN HD22 6.470 2.280 9.890 4.735 3.343 6.070 . 0 0 "[ . 1]" 1
436 1 27 LYS HA 1 69 VAL H 3.320 2.830 3.810 3.824 3.632 3.900 0.090 2 0 "[ . 1]" 1
437 1 28 ALA H 1 28 ALA HA 2.820 2.540 3.100 2.823 2.803 2.845 . 0 0 "[ . 1]" 1
438 1 28 ALA H 1 28 ALA MB 3.060 2.700 3.430 2.536 2.515 2.575 0.185 10 0 "[ . 1]" 1
439 1 28 ALA H 1 29 PRO HG2 5.380 3.120 7.640 4.412 4.281 4.546 . 0 0 "[ . 1]" 1
440 1 28 ALA MB 1 29 PRO HD3 6.200 3.060 9.630 2.946 2.909 2.970 0.151 8 0 "[ . 1]" 1
441 1 28 ALA MB 1 29 PRO HD2 6.470 2.770 9.920 3.153 2.982 3.301 . 0 0 "[ . 1]" 1
442 1 28 ALA H 1 29 PRO HD3 6.720 . 10.380 3.550 3.403 3.708 . 0 0 "[ . 1]" 1
443 1 28 ALA HA 1 30 ALA H 4.700 3.070 6.350 4.125 4.017 4.267 . 0 0 "[ . 1]" 1
444 1 28 ALA HA 1 31 VAL MG2 3.170 2.750 3.590 2.741 2.671 2.934 0.079 6 0 "[ . 1]" 1
445 1 28 ALA HA 1 31 VAL H 3.700 2.940 4.460 3.082 3.010 3.212 . 0 0 "[ . 1]" 1
446 1 28 ALA H 1 31 VAL MG2 4.290 3.070 5.510 4.212 4.077 4.528 . 0 0 "[ . 1]" 1
447 1 28 ALA HA 1 31 VAL MG1 4.730 3.080 6.390 4.076 3.901 4.310 . 0 0 "[ . 1]" 1
448 1 28 ALA HA 1 32 ILE H 4.270 3.060 5.490 3.818 3.686 3.924 . 0 0 "[ . 1]" 1
449 1 28 ALA HA 1 51 LEU MD1 5.480 3.060 7.910 4.755 4.138 5.323 . 0 0 "[ . 1]" 1
450 1 28 ALA MB 1 64 PRO HA 5.390 3.080 7.720 4.844 3.817 5.255 . 0 0 "[ . 1]" 1
451 1 28 ALA MB 1 65 GLU HA 3.710 2.960 4.460 3.293 2.941 4.023 0.019 6 0 "[ . 1]" 1
452 1 28 ALA MB 1 67 ALA H 4.410 3.070 5.760 3.738 3.414 4.091 . 0 0 "[ . 1]" 1
453 1 28 ALA H 1 67 ALA H 4.860 3.080 6.660 5.594 5.164 5.886 . 0 0 "[ . 1]" 1
454 1 28 ALA H 1 69 VAL MG2 4.600 3.070 6.150 3.164 3.034 3.565 0.036 5 0 "[ . 1]" 1
455 1 28 ALA MB 1 69 VAL H 4.670 3.100 6.240 3.235 3.039 3.738 0.061 3 0 "[ . 1]" 1
456 1 29 PRO HA 1 29 PRO HB3 2.310 2.160 2.460 2.312 2.294 2.327 . 0 0 "[ . 1]" 1
457 1 29 PRO HB2 1 29 PRO HG2 2.400 2.210 2.580 2.342 2.328 2.352 . 0 0 "[ . 1]" 1
458 1 29 PRO HA 1 29 PRO HB2 2.750 2.500 3.000 2.759 2.733 2.770 . 0 0 "[ . 1]" 1
459 1 29 PRO HD2 1 29 PRO HG3 3.140 2.560 3.540 2.626 2.600 2.647 . 0 0 "[ . 1]" 1
460 1 29 PRO HD3 1 29 PRO HG2 3.690 2.180 4.420 2.966 2.953 2.981 . 0 0 "[ . 1]" 1
461 1 29 PRO HB2 1 29 PRO HD3 5.760 3.110 9.650 3.734 3.683 3.798 . 0 0 "[ . 1]" 1
462 1 29 PRO HD2 1 30 ALA H 3.450 2.880 4.810 3.061 2.915 3.207 . 0 0 "[ . 1]" 1
463 1 29 PRO HA 1 30 ALA H 3.570 2.910 4.230 3.516 3.478 3.527 . 0 0 "[ . 1]" 1
464 1 29 PRO HG2 1 30 ALA MB 3.850 2.940 4.730 3.525 3.408 3.722 . 0 0 "[ . 1]" 1
465 1 29 PRO HD3 1 30 ALA H 4.240 2.280 5.420 3.974 3.924 4.065 . 0 0 "[ . 1]" 1
466 1 29 PRO HB2 1 30 ALA MB 4.930 3.100 6.760 4.295 4.118 4.445 . 0 0 "[ . 1]" 1
467 1 29 PRO HG3 1 30 ALA H 5.650 3.040 8.260 3.813 3.665 3.964 . 0 0 "[ . 1]" 1
468 1 29 PRO HG3 1 31 VAL MG2 5.340 3.070 7.620 7.006 6.858 7.138 . 0 0 "[ . 1]" 1
469 1 29 PRO HA 1 32 ILE HG12 3.030 2.670 3.390 3.511 3.455 3.563 0.173 1 0 "[ . 1]" 1
470 1 29 PRO HA 1 32 ILE H 3.730 2.940 4.510 3.467 3.253 3.628 . 0 0 "[ . 1]" 1
471 1 29 PRO HA 1 32 ILE MG 4.960 3.050 6.860 4.010 3.495 4.455 . 0 0 "[ . 1]" 1
472 1 30 ALA H 1 30 ALA MB 2.800 2.540 3.060 2.453 2.436 2.480 0.104 6 0 "[ . 1]" 1
473 1 30 ALA H 1 30 ALA HA 2.860 2.570 3.150 2.893 2.854 2.919 . 0 0 "[ . 1]" 1
474 1 30 ALA MB 1 31 VAL H 3.350 2.840 3.860 2.779 2.754 2.813 0.086 3 0 "[ . 1]" 1
475 1 30 ALA HA 1 31 VAL H 3.460 2.890 4.030 3.469 3.446 3.502 . 0 0 "[ . 1]" 1
476 1 30 ALA H 1 31 VAL MG2 4.140 3.060 5.220 4.234 4.190 4.327 . 0 0 "[ . 1]" 1
477 1 30 ALA MB 1 31 VAL MG2 4.480 3.070 5.900 3.497 3.404 3.615 . 0 0 "[ . 1]" 1
478 1 30 ALA MB 1 31 VAL HA 4.650 3.080 6.240 4.005 3.957 4.045 . 0 0 "[ . 1]" 1
479 1 30 ALA HA 1 31 VAL MG2 5.670 3.100 8.240 5.258 5.221 5.307 . 0 0 "[ . 1]" 1
480 1 30 ALA H 1 32 ILE H 4.170 3.050 5.290 3.827 3.706 3.928 . 0 0 "[ . 1]" 1
481 1 30 ALA H 1 32 ILE HG13 4.420 3.000 5.810 4.594 4.445 4.699 . 0 0 "[ . 1]" 1
482 1 30 ALA HA 1 32 ILE H 4.560 3.030 6.070 4.096 3.984 4.221 . 0 0 "[ . 1]" 1
483 1 30 ALA MB 1 32 ILE H 5.530 3.070 8.010 4.530 4.443 4.614 . 0 0 "[ . 1]" 1
484 1 30 ALA HA 1 33 ARG H 3.090 2.710 3.470 3.213 3.069 3.325 . 0 0 "[ . 1]" 1
485 1 30 ALA HA 1 33 ARG HB3 3.290 2.800 3.790 3.834 3.625 3.909 0.119 4 0 "[ . 1]" 1
486 1 30 ALA HA 1 33 ARG HA 4.450 2.990 5.850 5.233 4.958 5.419 . 0 0 "[ . 1]" 1
487 1 30 ALA HA 1 34 LYS HB3 5.360 3.040 7.660 6.881 6.804 7.038 . 0 0 "[ . 1]" 1
488 1 31 VAL H 1 31 VAL HA 2.870 2.570 3.170 2.888 2.874 2.900 . 0 0 "[ . 1]" 1
489 1 31 VAL H 1 31 VAL MG2 2.900 2.600 3.200 2.491 2.474 2.511 0.126 8 0 "[ . 1]" 1
490 1 31 VAL HA 1 31 VAL HB 2.970 2.640 3.300 3.021 3.006 3.031 . 0 0 "[ . 1]" 1
491 1 31 VAL HA 1 31 VAL MG1 2.970 2.640 3.300 2.591 2.583 2.602 0.057 1 0 "[ . 1]" 1
492 1 31 VAL H 1 31 VAL HB 2.990 2.650 3.330 2.605 2.581 2.628 0.069 6 0 "[ . 1]" 1
493 1 31 VAL MG1 1 31 VAL MG2 3.370 2.850 3.890 2.416 2.412 2.424 0.438 8 0 "[ . 1]" 1
494 1 31 VAL HA 1 31 VAL MG2 3.460 2.890 4.030 2.685 2.666 2.713 0.224 4 0 "[ . 1]" 1
495 1 31 VAL H 1 31 VAL MG1 4.490 3.090 5.890 4.018 4.011 4.028 . 0 0 "[ . 1]" 1
496 1 31 VAL HB 1 32 ILE H 2.630 2.410 2.860 2.659 2.572 2.721 . 0 0 "[ . 1]" 1
497 1 31 VAL H 1 32 ILE H 2.660 2.430 2.890 2.468 2.416 2.553 0.014 8 0 "[ . 1]" 1
498 1 31 VAL HB 1 32 ILE HA 3.760 2.940 4.580 4.307 4.261 4.393 . 0 0 "[ . 1]" 1
499 1 31 VAL HA 1 32 ILE H 3.820 2.980 4.670 3.381 3.331 3.426 . 0 0 "[ . 1]" 1
500 1 31 VAL HA 1 34 LYS HE3 3.620 2.920 4.330 4.344 4.320 4.364 0.034 5 0 "[ . 1]" 1
501 1 31 VAL HA 1 34 LYS H 3.620 2.920 4.330 2.895 2.851 3.021 0.069 4 0 "[ . 1]" 1
502 1 31 VAL HA 1 34 LYS HB3 3.630 2.930 4.340 3.789 3.585 3.977 . 0 0 "[ . 1]" 1
503 1 31 VAL HA 1 34 LYS HD2 4.370 3.040 5.700 4.798 4.645 4.952 . 0 0 "[ . 1]" 1
504 1 31 VAL MG2 1 34 LYS H 4.490 3.030 5.930 5.058 5.000 5.192 . 0 0 "[ . 1]" 1
505 1 31 VAL HA 1 34 LYS HE2 4.740 3.080 6.420 5.821 5.780 5.893 . 0 0 "[ . 1]" 1
506 1 31 VAL HA 1 35 ALA H 4.010 3.020 5.010 3.532 3.342 3.661 . 0 0 "[ . 1]" 1
507 1 31 VAL HB 1 51 LEU MD1 4.250 3.050 5.460 3.343 3.034 3.739 0.016 9 0 "[ . 1]" 1
508 1 31 VAL HA 1 51 LEU MD1 5.460 3.010 7.860 4.577 4.310 4.697 . 0 0 "[ . 1]" 1
509 1 31 VAL HB 1 69 VAL MG2 3.820 2.970 4.680 2.896 2.837 2.947 0.133 6 0 "[ . 1]" 1
510 1 31 VAL H 1 69 VAL MG2 5.040 3.030 7.010 4.229 4.096 4.389 . 0 0 "[ . 1]" 1
511 1 32 ILE HB 1 32 ILE HG13 2.450 2.260 2.640 2.330 2.249 2.470 0.011 5 0 "[ . 1]" 1
512 1 32 ILE HA 1 32 ILE HB 2.700 2.460 2.940 3.007 2.996 3.014 0.074 8 0 "[ . 1]" 1
513 1 32 ILE HA 1 32 ILE MG 2.860 2.570 3.150 2.541 2.472 2.717 0.098 9 0 "[ . 1]" 1
514 1 32 ILE H 1 32 ILE HA 2.860 2.570 3.150 2.835 2.821 2.851 . 0 0 "[ . 1]" 1
515 1 32 ILE HB 1 32 ILE MD 2.960 2.610 3.300 2.753 2.649 2.833 . 0 0 "[ . 1]" 1
516 1 32 ILE H 1 32 ILE HG13 3.470 2.890 4.050 2.686 2.667 2.708 0.223 9 0 "[ . 1]" 1
517 1 32 ILE H 1 33 ARG H 2.840 2.560 3.120 2.693 2.645 2.754 . 0 0 "[ . 1]" 1
518 1 32 ILE HA 1 33 ARG H 3.540 2.910 4.170 3.487 3.443 3.524 . 0 0 "[ . 1]" 1
519 1 32 ILE HG12 1 33 ARG H 4.670 3.060 6.290 4.608 4.461 4.794 . 0 0 "[ . 1]" 1
520 1 32 ILE MG 1 33 ARG HA 4.770 3.090 6.460 3.448 3.168 3.628 . 0 0 "[ . 1]" 1
521 1 32 ILE HG13 1 33 ARG H 4.790 3.040 6.520 4.069 3.764 4.396 . 0 0 "[ . 1]" 1
522 1 32 ILE MG 1 33 ARG H 5.070 3.100 7.040 3.391 3.077 3.637 0.023 7 0 "[ . 1]" 1
523 1 32 ILE HA 1 35 ALA MB 3.240 2.790 3.690 3.572 3.252 3.753 0.063 8 0 "[ . 1]" 1
524 1 32 ILE HA 1 35 ALA H 3.660 2.950 4.370 4.017 3.860 4.159 . 0 0 "[ . 1]" 1
525 1 32 ILE MG 1 36 MET HG2 3.920 2.980 4.860 3.506 3.142 3.837 . 0 0 "[ . 1]" 1
526 1 32 ILE HA 1 36 MET H 4.170 3.040 5.310 4.305 4.109 4.448 . 0 0 "[ . 1]" 1
527 1 32 ILE MG 1 36 MET H 5.660 3.070 8.270 4.501 4.233 4.823 . 0 0 "[ . 1]" 1
528 1 32 ILE MG 1 46 PRO HA 3.170 2.750 3.590 2.868 2.700 3.252 0.050 8 0 "[ . 1]" 1
529 1 32 ILE MG 1 46 PRO HB2 3.790 2.960 4.630 3.565 3.213 4.227 . 0 0 "[ . 1]" 1
530 1 32 ILE MD 1 46 PRO HB2 4.440 3.100 5.780 4.036 3.296 4.691 . 0 0 "[ . 1]" 1
531 1 32 ILE HG12 1 51 LEU HB3 3.030 2.660 3.400 2.730 2.546 3.278 0.114 9 0 "[ . 1]" 1
532 1 32 ILE HG12 1 51 LEU H 3.290 2.800 3.790 3.684 3.432 3.878 0.088 9 0 "[ . 1]" 1
533 1 32 ILE MG 1 51 LEU H 3.940 3.020 4.860 3.335 2.995 3.647 0.025 4 0 "[ . 1]" 1
534 1 32 ILE H 1 51 LEU MD2 5.330 3.050 7.610 3.796 3.342 4.041 . 0 0 "[ . 1]" 1
535 1 32 ILE H 1 51 LEU HB3 5.570 3.060 8.100 5.078 4.788 5.457 . 0 0 "[ . 1]" 1
536 1 32 ILE MG 1 83 LEU MD1 3.980 3.010 4.970 2.978 2.748 3.536 0.262 8 0 "[ . 1]" 1
537 1 32 ILE HA 1 83 LEU MD1 4.740 3.060 6.420 4.393 3.239 5.325 . 0 0 "[ . 1]" 1
538 1 33 ARG H 1 33 ARG HB2 2.310 2.160 2.460 2.166 2.078 2.456 0.082 2 0 "[ . 1]" 1
539 1 33 ARG HA 1 33 ARG HB2 2.660 2.420 2.910 2.843 2.671 3.025 0.115 6 0 "[ . 1]" 1
540 1 33 ARG HB3 1 33 ARG HE 2.680 2.450 2.910 2.472 2.371 2.684 0.079 4 0 "[ . 1]" 1
541 1 33 ARG HD2 1 33 ARG HG2 2.760 2.500 3.260 2.428 2.384 2.526 0.116 8 0 "[ . 1]" 1
542 1 33 ARG H 1 33 ARG HA 2.810 2.550 3.070 2.774 2.707 2.825 . 0 0 "[ . 1]" 1
543 1 33 ARG HD3 1 33 ARG HE 2.870 2.570 3.170 2.678 2.507 2.950 0.063 5 0 "[ . 1]" 1
544 1 33 ARG HE 1 33 ARG HG3 2.910 2.590 3.870 3.498 2.666 3.758 . 0 0 "[ . 1]" 1
545 1 33 ARG HD2 1 33 ARG HG3 2.990 2.410 3.350 2.592 2.400 3.124 0.010 9 0 "[ . 1]" 1
546 1 33 ARG HA 1 33 ARG HG2 3.060 2.680 4.640 2.655 2.581 2.764 0.099 5 0 "[ . 1]" 1
547 1 33 ARG HB2 1 33 ARG HG2 3.330 2.830 3.830 3.025 2.637 3.164 0.193 4 0 "[ . 1]" 1
548 1 33 ARG HA 1 33 ARG HD3 3.460 2.890 4.030 4.193 4.084 4.252 0.222 2 0 "[ . 1]" 1
549 1 33 ARG HB2 1 33 ARG HD2 3.540 2.870 4.190 3.955 3.790 4.196 0.006 4 0 "[ . 1]" 1
550 1 33 ARG HE 1 33 ARG HG2 3.550 2.260 4.210 3.060 2.626 3.729 . 0 0 "[ . 1]" 1
551 1 33 ARG HD3 1 33 ARG HG2 4.000 2.800 5.000 2.925 2.587 3.022 0.213 4 0 "[ . 1]" 1
552 1 33 ARG HB2 1 33 ARG HD3 4.150 3.020 5.280 3.119 2.798 4.328 0.222 2 0 "[ . 1]" 1
553 1 33 ARG HA 1 33 ARG HG3 4.260 . 5.490 2.471 2.106 3.808 . 0 0 "[ . 1]" 1
554 1 33 ARG H 1 33 ARG HG3 4.260 3.030 5.870 3.578 3.044 4.102 . 0 0 "[ . 1]" 1
555 1 33 ARG HB2 1 33 ARG HE 4.310 3.080 5.540 3.183 2.993 3.683 0.087 2 0 "[ . 1]" 1
556 1 33 ARG HA 1 33 ARG HD2 4.400 3.080 5.720 4.130 2.835 4.524 0.245 4 0 "[ . 1]" 1
557 1 33 ARG H 1 33 ARG HG2 4.640 2.680 6.220 4.108 2.640 4.620 0.040 6 0 "[ . 1]" 1
558 1 33 ARG H 1 34 LYS H 2.620 2.400 2.850 2.722 2.625 2.810 . 0 0 "[ . 1]" 1
559 1 33 ARG HB2 1 34 LYS H 3.350 2.840 3.860 2.966 2.743 3.332 0.097 6 0 "[ . 1]" 1
560 1 33 ARG HB2 1 34 LYS HG2 3.550 2.880 4.210 4.048 3.632 4.334 0.124 10 0 "[ . 1]" 1
561 1 33 ARG HA 1 34 LYS H 3.860 2.980 4.750 3.531 3.496 3.551 . 0 0 "[ . 1]" 1
562 1 33 ARG HA 1 34 LYS HA 3.990 2.940 4.980 4.905 4.836 4.957 . 0 0 "[ . 1]" 1
563 1 33 ARG H 1 35 ALA H 4.230 3.060 5.410 4.298 4.172 4.372 . 0 0 "[ . 1]" 1
564 1 33 ARG HA 1 36 MET H 3.780 2.980 4.580 3.789 3.619 3.884 . 0 0 "[ . 1]" 1
565 1 33 ARG HB2 1 37 ASP HB2 5.010 3.010 6.960 5.595 5.193 6.168 . 0 0 "[ . 1]" 1
566 1 33 ARG HG2 1 45 GLU HG3 4.060 3.030 5.630 5.680 5.584 5.719 0.089 7 0 "[ . 1]" 1
567 1 33 ARG HG3 1 45 GLU HG3 4.550 2.600 6.060 5.678 4.650 6.135 0.075 9 0 "[ . 1]" 1
568 1 33 ARG HD2 1 46 PRO HG2 2.260 2.110 4.100 3.118 2.459 3.930 . 0 0 "[ . 1]" 1
569 1 33 ARG HD3 1 46 PRO HG2 2.330 2.170 4.140 2.698 2.497 2.960 . 0 0 "[ . 1]" 1
570 1 33 ARG HG2 1 46 PRO HB2 3.510 2.850 5.790 5.505 4.185 5.922 0.132 5 0 "[ . 1]" 1
571 1 33 ARG HG3 1 46 PRO HD2 3.730 2.950 5.940 3.594 2.844 4.672 0.106 5 0 "[ . 1]" 1
572 1 33 ARG HD3 1 46 PRO HB2 3.760 2.960 4.570 4.601 4.443 4.702 0.132 4 0 "[ . 1]" 1
573 1 33 ARG HD2 1 46 PRO HG3 3.940 . 4.880 3.893 2.957 4.761 . 0 0 "[ . 1]" 1
574 1 33 ARG HD3 1 46 PRO HG3 3.980 . 4.930 3.875 3.472 4.290 . 0 0 "[ . 1]" 1
575 1 33 ARG HG3 1 46 PRO HB3 4.310 3.030 7.100 4.412 3.663 5.718 . 0 0 "[ . 1]" 1
576 1 33 ARG HA 1 46 PRO HB3 4.330 3.000 5.620 4.805 3.784 5.688 0.068 9 0 "[ . 1]" 1
577 1 33 ARG H 1 46 PRO HD2 4.910 2.990 6.760 6.249 5.623 6.790 0.030 8 0 "[ . 1]" 1
578 1 33 ARG HG2 1 46 PRO HD2 5.150 . 7.230 4.260 3.596 4.779 . 0 0 "[ . 1]" 1
579 1 33 ARG HG3 1 46 PRO HB2 5.160 . 7.250 4.478 4.122 5.372 . 0 0 "[ . 1]" 1
580 1 33 ARG HG2 1 46 PRO HB3 5.830 . 8.610 5.425 3.975 6.151 . 0 0 "[ . 1]" 1
581 1 34 LYS HA 1 34 LYS HB3 2.460 2.280 2.640 2.408 2.399 2.423 . 0 0 "[ . 1]" 1
582 1 34 LYS HD3 1 34 LYS HE2 2.540 2.330 2.750 2.570 2.533 2.597 . 0 0 "[ . 1]" 1
583 1 34 LYS H 1 34 LYS HA 2.850 2.570 3.140 2.820 2.808 2.852 . 0 0 "[ . 1]" 1
584 1 34 LYS HD3 1 34 LYS HE3 3.010 2.650 3.370 2.592 2.584 2.603 0.066 7 0 "[ . 1]" 1
585 1 34 LYS HA 1 34 LYS HB2 3.160 2.740 3.590 3.005 2.993 3.011 . 0 0 "[ . 1]" 1
586 1 34 LYS HE2 1 34 LYS HG2 3.560 2.920 4.210 3.609 3.579 3.640 . 0 0 "[ . 1]" 1
587 1 34 LYS HD2 1 34 LYS HE2 3.800 3.000 4.600 2.803 2.793 2.818 0.207 6 0 "[ . 1]" 1
588 1 34 LYS HB3 1 34 LYS HE3 4.520 3.060 5.980 4.576 4.528 4.608 . 0 0 "[ . 1]" 1
589 1 34 LYS H 1 35 ALA H 2.750 2.500 3.000 2.686 2.603 2.742 . 0 0 "[ . 1]" 1
590 1 34 LYS HB2 1 35 ALA MB 3.160 2.740 3.590 3.655 3.628 3.694 0.104 2 0 "[ . 1]" 1
591 1 34 LYS HB3 1 35 ALA H 3.270 2.800 3.750 3.584 3.513 3.659 . 0 0 "[ . 1]" 1
592 1 34 LYS HA 1 35 ALA H 3.650 2.940 4.360 3.455 3.415 3.481 . 0 0 "[ . 1]" 1
593 1 34 LYS HB3 1 35 ALA HA 4.100 3.040 5.170 4.197 4.115 4.339 . 0 0 "[ . 1]" 1
594 1 34 LYS HD3 1 35 ALA H 4.170 2.990 5.320 4.950 4.882 5.056 . 0 0 "[ . 1]" 1
595 1 34 LYS H 1 35 ALA MB 5.270 3.050 7.480 4.598 4.505 4.657 . 0 0 "[ . 1]" 1
596 1 34 LYS H 1 36 MET H 4.110 3.020 5.210 4.264 4.134 4.375 . 0 0 "[ . 1]" 1
597 1 34 LYS HA 1 37 ASP HB2 2.630 2.410 2.850 2.440 2.399 2.527 0.011 8 0 "[ . 1]" 1
598 1 34 LYS HD3 1 37 ASP HB2 3.330 2.770 3.850 3.911 3.873 3.950 0.100 7 0 "[ . 1]" 1
599 1 34 LYS HA 1 37 ASP H 3.530 2.890 4.180 3.566 3.472 3.639 . 0 0 "[ . 1]" 1
600 1 34 LYS H 1 37 ASP HB2 4.600 2.990 6.150 4.441 4.264 4.726 . 0 0 "[ . 1]" 1
601 1 35 ALA H 1 35 ALA HA 2.860 2.570 3.150 2.897 2.873 2.960 . 0 0 "[ . 1]" 1
602 1 35 ALA H 1 35 ALA MB 2.910 2.610 3.210 2.453 2.426 2.469 0.184 2 0 "[ . 1]" 1
603 1 35 ALA H 1 36 MET H 2.760 2.510 3.010 2.560 2.503 2.597 0.007 9 0 "[ . 1]" 1
604 1 35 ALA MB 1 36 MET H 3.290 2.820 3.760 2.782 2.758 2.806 0.062 2 0 "[ . 1]" 1
605 1 35 ALA MB 1 36 MET HG2 4.150 3.040 5.270 4.890 4.794 5.339 0.069 2 0 "[ . 1]" 1
606 1 35 ALA HA 1 36 MET H 4.200 3.050 5.350 3.496 3.417 3.531 . 0 0 "[ . 1]" 1
607 1 35 ALA H 1 36 MET HG2 5.320 3.000 7.590 4.533 4.347 5.453 . 0 0 "[ . 1]" 1
608 1 35 ALA HA 1 38 LYS H 3.750 2.960 4.550 3.231 3.142 3.320 . 0 0 "[ . 1]" 1
609 1 35 ALA HA 1 38 LYS HB3 3.970 2.970 4.950 3.305 3.059 3.384 . 0 0 "[ . 1]" 1
610 1 35 ALA HA 1 38 LYS HA 3.970 3.020 4.920 5.008 4.961 5.041 0.121 1 0 "[ . 1]" 1
611 1 35 ALA H 1 38 LYS H 4.610 3.090 6.130 4.496 4.405 4.542 . 0 0 "[ . 1]" 1
612 1 35 ALA MB 1 39 HIS HD2 4.270 3.060 5.480 3.875 3.490 4.341 . 0 0 "[ . 1]" 1
613 1 35 ALA HA 1 39 HIS H 4.540 3.050 6.030 4.589 4.264 4.954 . 0 0 "[ . 1]" 1
614 1 36 MET H 1 36 MET HB3 2.410 2.230 2.590 2.616 2.458 2.666 0.076 7 0 "[ . 1]" 1
615 1 36 MET HA 1 36 MET HB2 2.480 2.280 2.690 2.400 2.384 2.420 . 0 0 "[ . 1]" 1
616 1 36 MET HB2 1 36 MET HG3 2.900 2.570 3.220 2.614 2.523 2.987 0.047 7 0 "[ . 1]" 1
617 1 36 MET H 1 36 MET HG2 3.070 2.700 3.440 2.679 2.563 3.453 0.137 7 0 "[ . 1]" 1
618 1 36 MET H 1 36 MET HA 3.140 2.730 3.550 2.831 2.816 2.840 . 0 0 "[ . 1]" 1
619 1 36 MET HA 1 36 MET HG2 3.810 2.980 4.660 4.000 3.955 4.278 . 0 0 "[ . 1]" 1
620 1 36 MET H 1 37 ASP H 2.870 2.580 3.160 2.589 2.567 2.615 0.013 5 0 "[ . 1]" 1
621 1 36 MET HA 1 37 ASP H 3.520 2.910 4.130 3.510 3.456 3.575 . 0 0 "[ . 1]" 1
622 1 36 MET HB2 1 37 ASP H 3.560 2.910 4.220 4.045 3.997 4.110 . 0 0 "[ . 1]" 1
623 1 36 MET HB3 1 37 ASP H 3.860 2.990 4.750 4.044 3.986 4.101 . 0 0 "[ . 1]" 1
624 1 36 MET HG2 1 37 ASP H 4.390 3.090 5.690 3.152 3.012 3.957 0.078 9 0 "[ . 1]" 1
625 1 36 MET H 1 38 LYS H 4.260 3.060 5.460 3.975 3.830 4.081 . 0 0 "[ . 1]" 1
626 1 36 MET HA 1 38 LYS H 4.330 2.990 5.630 4.059 3.893 4.286 . 0 0 "[ . 1]" 1
627 1 36 MET H 1 39 HIS HD2 4.370 3.060 5.690 5.023 4.619 5.208 . 0 0 "[ . 1]" 1
628 1 36 MET HB2 1 41 LEU MD2 3.740 2.960 4.530 4.474 4.247 4.612 0.082 6 0 "[ . 1]" 1
629 1 36 MET HA 1 41 LEU MD2 4.680 3.060 6.300 5.047 4.592 5.415 . 0 0 "[ . 1]" 1
630 1 36 MET HB3 1 83 LEU HB3 3.360 2.830 3.900 4.071 4.024 4.117 0.217 8 0 "[ . 1]" 1
631 1 36 MET HA 1 83 LEU MD1 3.880 3.000 4.760 3.417 3.181 3.750 . 0 0 "[ . 1]" 1
632 1 36 MET HB2 1 83 LEU HB3 3.960 3.000 4.930 4.959 4.835 5.022 0.092 6 0 "[ . 1]" 1
633 1 36 MET HG2 1 83 LEU MD1 4.360 3.070 5.650 3.397 3.016 3.792 0.054 2 0 "[ . 1]" 1
634 1 36 MET H 1 83 LEU MD1 5.420 3.070 7.780 3.731 3.104 4.216 . 0 0 "[ . 1]" 1
635 1 37 ASP H 1 37 ASP HB2 2.270 2.100 2.430 2.326 2.194 2.456 0.026 2 0 "[ . 1]" 1
636 1 37 ASP HA 1 37 ASP HB3 2.620 2.400 2.840 2.820 2.564 2.940 0.100 1 0 "[ . 1]" 1
637 1 37 ASP H 1 37 ASP HA 2.790 2.520 3.060 2.797 2.780 2.816 . 0 0 "[ . 1]" 1
638 1 37 ASP HA 1 37 ASP HB2 2.790 2.520 3.060 2.815 2.642 3.043 . 0 0 "[ . 1]" 1
639 1 37 ASP H 1 38 LYS H 2.660 2.430 2.900 2.557 2.478 2.646 . 0 0 "[ . 1]" 1
640 1 37 ASP HB2 1 38 LYS H 2.860 2.540 3.170 3.118 2.719 3.267 0.097 4 0 "[ . 1]" 1
641 1 37 ASP HB2 1 38 LYS HE2 3.280 2.810 3.750 3.814 3.753 3.878 0.128 10 0 "[ . 1]" 1
642 1 37 ASP HA 1 38 LYS H 3.530 2.890 4.180 3.415 3.357 3.448 . 0 0 "[ . 1]" 1
643 1 37 ASP HB3 1 38 LYS HA 3.710 2.950 4.480 3.740 3.389 4.222 . 0 0 "[ . 1]" 1
644 1 37 ASP HA 1 38 LYS HB2 4.350 3.040 5.670 5.390 5.292 5.470 . 0 0 "[ . 1]" 1
645 1 37 ASP HA 1 39 HIS H 3.790 2.940 4.630 3.986 3.762 4.134 . 0 0 "[ . 1]" 1
646 1 37 ASP HA 1 40 ASN H 3.890 2.990 4.810 3.655 3.008 4.022 . 0 0 "[ . 1]" 1
647 1 38 LYS H 1 38 LYS HB2 2.090 . 2.220 2.005 1.949 2.057 0.011 7 0 "[ . 1]" 1
648 1 38 LYS HA 1 38 LYS HB3 2.560 2.350 2.770 2.841 2.813 2.876 0.106 2 0 "[ . 1]" 1
649 1 38 LYS H 1 38 LYS HA 2.790 2.520 3.070 2.782 2.757 2.799 . 0 0 "[ . 1]" 1
650 1 38 LYS HA 1 38 LYS HB2 2.900 2.590 3.210 2.746 2.680 2.815 . 0 0 "[ . 1]" 1
651 1 38 LYS HD3 1 38 LYS HE3 3.480 2.880 4.440 3.061 3.048 3.073 . 0 0 "[ . 1]" 1
652 1 38 LYS HA 1 38 LYS HG3 3.610 2.920 4.310 2.856 2.836 2.902 0.084 10 0 "[ . 1]" 1
653 1 38 LYS HA 1 38 LYS HD2 3.740 . 4.510 3.463 3.392 3.547 . 0 0 "[ . 1]" 1
654 1 38 LYS HD2 1 38 LYS HE3 3.830 2.640 4.680 2.568 2.554 2.595 0.086 3 0 "[ . 1]" 1
655 1 38 LYS HE3 1 38 LYS HG3 3.990 3.000 4.980 3.783 3.738 3.856 . 0 0 "[ . 1]" 1
656 1 38 LYS H 1 38 LYS HG3 4.010 3.020 5.010 4.563 4.528 4.599 . 0 0 "[ . 1]" 1
657 1 38 LYS HE2 1 38 LYS HG2 4.030 3.000 5.050 3.134 3.052 3.288 . 0 0 "[ . 1]" 1
658 1 38 LYS HE2 1 38 LYS HG3 4.180 3.050 5.330 3.808 3.768 3.881 . 0 0 "[ . 1]" 1
659 1 38 LYS HD2 1 38 LYS HE2 4.760 2.750 6.410 3.047 3.033 3.064 . 0 0 "[ . 1]" 1
660 1 38 LYS HB3 1 39 HIS HD2 2.880 2.590 3.170 2.801 2.549 3.128 0.041 5 0 "[ . 1]" 1
661 1 38 LYS HB2 1 39 HIS H 3.010 2.680 3.340 3.447 3.401 3.489 0.149 7 0 "[ . 1]" 1
662 1 38 LYS HB2 1 39 HIS HD2 4.370 3.090 5.650 3.741 3.560 3.898 . 0 0 "[ . 1]" 1
663 1 38 LYS H 1 39 HIS HB3 4.820 3.000 6.590 6.285 6.096 6.409 . 0 0 "[ . 1]" 1
664 1 38 LYS HB3 1 40 ASN H 4.090 3.050 5.140 4.757 4.588 4.927 . 0 0 "[ . 1]" 1
665 1 39 HIS H 1 39 HIS HB2 2.620 2.400 2.840 2.556 2.470 2.721 . 0 0 "[ . 1]" 1
666 1 39 HIS H 1 39 HIS HA 2.910 2.600 3.230 2.941 2.923 2.959 . 0 0 "[ . 1]" 1
667 1 39 HIS HA 1 39 HIS HB2 3.020 2.670 3.370 3.030 3.011 3.062 . 0 0 "[ . 1]" 1
668 1 39 HIS HB2 1 39 HIS HD2 3.350 2.840 3.860 3.101 2.935 3.366 . 0 0 "[ . 1]" 1
669 1 39 HIS HA 1 39 HIS HD2 3.410 2.860 3.960 3.610 3.297 3.818 . 0 0 "[ . 1]" 1
670 1 39 HIS H 1 39 HIS HB3 3.550 2.920 4.180 3.719 3.684 3.763 . 0 0 "[ . 1]" 1
671 1 39 HIS HB3 1 39 HIS HD2 3.560 2.930 4.190 3.959 3.924 3.980 . 0 0 "[ . 1]" 1
672 1 39 HIS H 1 39 HIS HE1 4.850 2.970 6.640 6.453 6.325 6.587 . 0 0 "[ . 1]" 1
673 1 39 HIS HA 1 40 ASN H 3.180 2.750 3.620 3.170 3.037 3.392 . 0 0 "[ . 1]" 1
674 1 39 HIS HB3 1 40 ASN H 4.450 3.040 5.850 4.221 3.972 4.378 . 0 0 "[ . 1]" 1
675 1 39 HIS H 1 40 ASN HA 4.850 3.120 6.580 4.452 4.315 4.631 . 0 0 "[ . 1]" 1
676 1 39 HIS HB2 1 41 LEU MD1 2.860 2.560 3.170 2.850 2.570 3.198 0.028 1 0 "[ . 1]" 1
677 1 39 HIS HB2 1 41 LEU HB2 2.900 2.600 4.690 4.328 3.548 4.889 0.199 7 0 "[ . 1]" 1
678 1 39 HIS HB3 1 41 LEU HG 3.430 2.850 4.020 3.038 2.803 3.295 0.047 4 0 "[ . 1]" 1
679 1 39 HIS HB3 1 41 LEU MD1 3.640 2.960 4.320 3.588 3.084 4.097 . 0 0 "[ . 1]" 1
680 1 39 HIS HB2 1 41 LEU MD2 3.760 2.970 4.550 3.711 2.880 4.602 0.090 7 0 "[ . 1]" 1
681 1 39 HIS HB2 1 41 LEU HB3 4.380 . 5.690 5.055 4.474 5.580 . 0 0 "[ . 1]" 1
682 1 39 HIS HB3 1 41 LEU H 4.720 3.050 6.380 4.811 3.753 5.558 . 0 0 "[ . 1]" 1
683 1 39 HIS H 1 41 LEU MD1 4.730 3.080 6.390 4.371 3.940 4.859 . 0 0 "[ . 1]" 1
684 1 39 HIS HB3 1 41 LEU MD2 5.020 3.060 6.980 3.559 3.024 4.187 0.036 4 0 "[ . 1]" 1
685 1 40 ASN H 1 40 ASN HB3 3.190 2.740 3.640 3.658 3.561 3.875 0.235 1 0 "[ . 1]" 1
686 1 40 ASN H 1 40 ASN HB2 3.730 2.980 4.490 3.216 3.060 3.580 . 0 0 "[ . 1]" 1
687 1 40 ASN HB3 1 40 ASN HD22 4.040 3.040 5.040 4.044 3.836 4.105 . 0 0 "[ . 1]" 1
688 1 40 ASN HB3 1 40 ASN HD21 4.340 3.080 5.600 3.474 3.064 3.594 0.016 1 0 "[ . 1]" 1
689 1 40 ASN HA 1 40 ASN HD22 4.410 3.040 5.780 3.839 3.476 4.528 . 0 0 "[ . 1]" 1
690 1 40 ASN H 1 41 LEU H 2.570 2.350 2.790 2.738 2.467 2.862 0.072 5 0 "[ . 1]" 1
691 1 40 ASN HB2 1 41 LEU HB2 5.310 3.040 8.850 7.029 6.229 7.651 . 0 0 "[ . 1]" 1
692 1 40 ASN HB2 1 41 LEU HB3 6.590 . 10.180 7.233 6.323 7.776 . 0 0 "[ . 1]" 1
693 1 40 ASN HA 1 42 GLU H 3.640 2.940 4.340 3.575 3.115 4.222 . 0 0 "[ . 1]" 1
694 1 41 LEU H 1 41 LEU HB2 2.570 2.370 3.790 2.963 2.541 3.829 0.039 7 0 "[ . 1]" 1
695 1 41 LEU H 1 41 LEU HB3 3.580 . 4.240 3.683 3.332 3.807 . 0 0 "[ . 1]" 1
696 1 41 LEU H 1 41 LEU MD1 4.960 3.110 6.810 3.795 3.033 4.336 0.077 7 0 "[ . 1]" 1
697 1 41 LEU H 1 42 GLU H 3.310 2.820 3.800 2.991 2.739 3.459 0.081 2 0 "[ . 1]" 1
698 1 41 LEU HA 1 43 GLU H 2.710 2.470 2.950 3.019 2.976 3.047 0.097 1 0 "[ . 1]" 1
699 1 41 LEU HB3 1 43 GLU HG2 3.510 2.890 5.160 4.025 2.900 4.876 . 0 0 "[ . 1]" 1
700 1 41 LEU H 1 43 GLU H 4.330 3.070 5.590 4.946 4.771 5.292 . 0 0 "[ . 1]" 1
701 1 41 LEU HB2 1 43 GLU HG2 4.530 2.060 6.000 4.737 2.879 6.096 0.096 1 0 "[ . 1]" 1
702 1 41 LEU MD1 1 43 GLU HG2 5.400 3.100 7.700 5.261 4.426 6.416 . 0 0 "[ . 1]" 1
703 1 41 LEU HB2 1 44 GLU HB2 4.350 . 7.370 4.110 2.919 6.079 . 0 0 "[ . 1]" 1
704 1 41 LEU HB3 1 44 GLU HB3 4.360 . 7.380 5.025 3.467 6.581 . 0 0 "[ . 1]" 1
705 1 41 LEU HB3 1 44 GLU HG2 5.270 3.030 9.030 3.800 2.968 6.291 0.062 5 0 "[ . 1]" 1
706 1 41 LEU MD1 1 44 GLU HG2 5.860 3.060 8.680 4.335 3.039 6.949 0.021 4 0 "[ . 1]" 1
707 1 41 LEU HB2 1 44 GLU HB3 6.060 . 9.080 5.415 4.246 7.120 . 0 0 "[ . 1]" 1
708 1 41 LEU HB2 1 44 GLU HG2 6.820 . 10.650 4.467 2.257 7.582 . 0 0 "[ . 1]" 1
709 1 41 LEU MD2 1 49 TYR QE 4.400 3.080 5.720 5.030 4.404 5.671 . 0 0 "[ . 1]" 1
710 1 41 LEU MD2 1 49 TYR QD 4.860 3.080 6.650 6.013 5.260 6.459 . 0 0 "[ . 1]" 1
711 1 42 GLU HB2 1 42 GLU HG3 2.230 2.090 3.050 2.590 2.371 2.965 . 0 0 "[ . 1]" 1
712 1 42 GLU HA 1 42 GLU HG2 2.350 2.190 3.590 3.091 2.445 3.666 0.076 4 0 "[ . 1]" 1
713 1 42 GLU HA 1 42 GLU HB3 2.490 2.290 2.690 2.441 2.384 2.524 . 0 0 "[ . 1]" 1
714 1 42 GLU HB3 1 42 GLU HG3 2.500 2.290 3.210 2.699 2.336 3.006 . 0 0 "[ . 1]" 1
715 1 42 GLU H 1 42 GLU HG2 2.730 2.480 4.150 3.158 2.399 3.825 0.081 5 0 "[ . 1]" 1
716 1 42 GLU H 1 42 GLU HA 2.810 2.540 3.080 2.811 2.766 2.844 . 0 0 "[ . 1]" 1
717 1 42 GLU HB2 1 42 GLU HG2 2.910 . 3.210 2.713 2.431 3.009 . 0 0 "[ . 1]" 1
718 1 42 GLU HB3 1 42 GLU HG2 3.000 2.140 3.350 2.569 2.253 3.048 . 0 0 "[ . 1]" 1
719 1 42 GLU HA 1 42 GLU HB2 3.020 2.650 3.390 3.013 2.996 3.031 . 0 0 "[ . 1]" 1
720 1 42 GLU HA 1 42 GLU HG3 3.430 . 3.990 3.146 2.479 3.770 . 0 0 "[ . 1]" 1
721 1 42 GLU H 1 42 GLU HG3 3.900 . 4.810 2.822 1.960 3.791 . 0 0 "[ . 1]" 1
722 1 42 GLU H 1 43 GLU H 2.640 2.390 2.880 2.571 2.488 2.686 . 0 0 "[ . 1]" 1
723 1 42 GLU HB2 1 43 GLU H 2.990 2.650 3.330 3.033 2.872 3.309 . 0 0 "[ . 1]" 1
724 1 42 GLU HA 1 43 GLU H 3.190 2.760 3.630 3.393 3.316 3.432 . 0 0 "[ . 1]" 1
725 1 42 GLU HA 1 44 GLU H 3.850 2.990 4.710 3.765 3.402 4.332 . 0 0 "[ . 1]" 1
726 1 42 GLU H 1 44 GLU H 5.460 3.060 7.870 4.313 4.084 4.759 . 0 0 "[ . 1]" 1
727 1 43 GLU HA 1 43 GLU HB3 2.460 2.280 2.650 2.415 2.325 2.509 . 0 0 "[ . 1]" 1
728 1 43 GLU H 1 43 GLU HA 2.820 2.550 3.090 2.874 2.817 2.912 . 0 0 "[ . 1]" 1
729 1 43 GLU H 1 44 GLU H 2.490 2.300 2.680 2.559 2.314 2.725 0.045 6 0 "[ . 1]" 1
730 1 43 GLU HG2 1 44 GLU HB2 2.730 2.450 4.550 4.424 4.153 4.690 0.140 5 0 "[ . 1]" 1
731 1 43 GLU HA 1 44 GLU H 3.240 2.790 3.690 3.346 3.155 3.550 . 0 0 "[ . 1]" 1
732 1 43 GLU HG2 1 44 GLU HB3 4.290 . 5.540 5.075 3.528 5.657 0.117 6 0 "[ . 1]" 1
733 1 43 GLU H 1 44 GLU HA 5.560 3.010 8.080 5.096 4.891 5.303 . 0 0 "[ . 1]" 1
734 1 44 GLU HB3 1 44 GLU HG2 2.480 2.290 3.190 2.819 2.394 3.053 . 0 0 "[ . 1]" 1
735 1 44 GLU H 1 44 GLU HB3 2.660 2.430 4.010 3.631 3.487 3.835 . 0 0 "[ . 1]" 1
736 1 44 GLU H 1 44 GLU HG2 2.910 2.610 3.220 2.870 2.520 3.430 0.210 6 0 "[ . 1]" 1
737 1 44 GLU H 1 44 GLU HA 2.960 2.630 3.290 2.899 2.820 2.933 . 0 0 "[ . 1]" 1
738 1 44 GLU HB2 1 44 GLU HG2 3.000 2.140 3.340 2.626 2.337 3.007 . 0 0 "[ . 1]" 1
739 1 44 GLU HA 1 44 GLU HG3 3.540 2.910 4.170 3.688 3.174 3.971 . 0 0 "[ . 1]" 1
740 1 44 GLU HB3 1 44 GLU HG3 3.560 2.120 4.220 2.648 2.364 3.023 . 0 0 "[ . 1]" 1
741 1 44 GLU H 1 44 GLU HB2 3.780 . 4.580 2.706 2.242 3.774 . 0 0 "[ . 1]" 1
742 1 44 GLU HA 1 44 GLU HB2 3.880 2.580 4.760 2.923 2.584 3.015 . 0 0 "[ . 1]" 1
743 1 44 GLU HA 1 45 GLU H 2.270 2.120 2.430 2.297 2.204 2.453 0.023 6 0 "[ . 1]" 1
744 1 44 GLU H 1 45 GLU H 4.300 3.070 5.530 4.302 3.262 4.554 . 0 0 "[ . 1]" 1
745 1 44 GLU HG2 1 49 TYR QE 3.840 3.000 4.680 4.610 4.238 4.809 0.129 10 0 "[ . 1]" 1
746 1 44 GLU HB3 1 49 TYR QE 3.910 3.020 5.980 2.998 2.898 3.394 0.122 10 0 "[ . 1]" 1
747 1 44 GLU HG3 1 49 TYR QE 4.300 3.060 5.550 3.846 3.332 4.883 . 0 0 "[ . 1]" 1
748 1 44 GLU HB2 1 49 TYR QE 5.080 . 7.060 3.692 1.887 4.594 0.043 6 0 "[ . 1]" 1
749 1 44 GLU HG2 1 49 TYR QD 5.220 3.100 7.350 6.024 5.563 6.494 . 0 0 "[ . 1]" 1
750 1 45 GLU H 1 45 GLU HB2 2.080 . 2.210 2.271 2.257 2.295 0.085 5 0 "[ . 1]" 1
751 1 45 GLU HB3 1 45 GLU HG2 2.210 2.040 3.040 2.463 2.347 3.021 . 0 0 "[ . 1]" 1
752 1 45 GLU HB3 1 45 GLU HG3 2.880 . 3.190 2.519 2.303 3.032 . 0 0 "[ . 1]" 1
753 1 45 GLU H 1 45 GLU HG3 3.300 2.810 4.600 4.086 3.485 4.606 0.006 4 0 "[ . 1]" 1
754 1 45 GLU H 1 45 GLU HB3 3.360 2.840 3.880 3.471 3.016 3.558 . 0 0 "[ . 1]" 1
755 1 45 GLU H 1 45 GLU HG2 4.110 2.230 5.190 4.198 2.495 4.624 . 0 0 "[ . 1]" 1
756 1 45 GLU HB2 1 46 PRO HD2 4.000 3.000 5.000 4.140 3.774 4.399 . 0 0 "[ . 1]" 1
757 1 45 GLU HB2 1 46 PRO HD3 4.990 3.120 6.860 4.487 4.190 4.614 . 0 0 "[ . 1]" 1
758 1 45 GLU HB2 1 48 ASP H 3.330 2.840 3.820 3.844 3.651 3.981 0.161 4 0 "[ . 1]" 1
759 1 45 GLU H 1 48 ASP HB2 3.990 3.020 4.970 3.978 3.447 4.978 0.008 9 0 "[ . 1]" 1
760 1 45 GLU HB3 1 48 ASP H 4.400 3.060 5.760 3.721 2.936 4.029 0.124 4 0 "[ . 1]" 1
761 1 45 GLU H 1 49 TYR QE 4.480 3.090 5.880 4.085 3.364 5.006 . 0 0 "[ . 1]" 1
762 1 45 GLU H 1 49 TYR QD 5.090 3.020 7.130 4.011 3.009 4.575 0.011 4 0 "[ . 1]" 1
763 1 46 PRO HD2 1 46 PRO HG2 2.570 2.360 3.540 2.345 2.331 2.368 0.029 6 0 "[ . 1]" 1
764 1 46 PRO HB2 1 46 PRO HD2 2.950 2.620 3.290 2.784 2.599 2.963 0.021 5 0 "[ . 1]" 1
765 1 46 PRO HA 1 46 PRO HG3 3.860 2.990 5.820 2.952 2.910 3.003 0.080 8 0 "[ . 1]" 1
766 1 46 PRO HB2 1 47 GLU H 2.840 2.560 3.130 3.129 3.072 3.150 0.020 2 0 "[ . 1]" 1
767 1 46 PRO HA 1 47 GLU H 3.520 2.890 4.160 3.396 3.361 3.416 . 0 0 "[ . 1]" 1
768 1 46 PRO HD3 1 47 GLU H 3.810 2.980 4.650 3.919 3.801 4.114 . 0 0 "[ . 1]" 1
769 1 46 PRO HB2 1 47 GLU HA 3.940 2.950 4.900 4.135 3.981 4.213 . 0 0 "[ . 1]" 1
770 1 46 PRO HA 1 48 ASP H 3.710 2.940 4.490 3.749 3.438 4.148 . 0 0 "[ . 1]" 1
771 1 46 PRO HA 1 49 TYR QD 3.610 2.930 4.290 3.894 2.890 4.374 0.084 1 0 "[ . 1]" 1
772 1 47 GLU H 1 47 GLU HA 2.780 2.530 3.030 2.813 2.774 2.861 . 0 0 "[ . 1]" 1
773 1 47 GLU HA 1 48 ASP H 3.450 2.870 4.030 3.479 3.340 3.598 . 0 0 "[ . 1]" 1
774 1 48 ASP H 1 48 ASP HB2 2.410 2.230 2.590 2.516 2.349 2.632 0.042 7 0 "[ . 1]" 1
775 1 48 ASP H 1 48 ASP HA 3.330 2.830 3.830 2.934 2.919 2.950 . 0 0 "[ . 1]" 1
776 1 48 ASP HB2 1 49 TYR QD 3.050 2.690 3.420 3.073 2.628 3.521 0.101 8 0 "[ . 1]" 1
777 1 48 ASP HB2 1 49 TYR H 3.240 2.770 3.720 3.472 2.798 3.802 0.082 7 0 "[ . 1]" 1
778 1 48 ASP HA 1 49 TYR H 3.880 3.000 4.760 3.421 3.160 3.573 . 0 0 "[ . 1]" 1
779 1 48 ASP H 1 49 TYR QD 4.410 3.080 5.740 3.353 2.989 3.687 0.091 10 0 "[ . 1]" 1
780 1 48 ASP H 1 49 TYR QE 6.520 3.030 10.040 5.000 4.500 5.470 . 0 0 "[ . 1]" 1
781 1 48 ASP HB2 1 85 LYS HG3 3.920 2.950 4.860 4.447 3.311 5.014 0.154 1 0 "[ . 1]" 1
782 1 49 TYR H 1 49 TYR HA 2.930 2.590 3.270 2.943 2.914 2.969 . 0 0 "[ . 1]" 1
783 1 49 TYR HA 1 49 TYR HB2 3.030 2.670 3.400 2.972 2.939 3.010 . 0 0 "[ . 1]" 1
784 1 49 TYR HA 1 49 TYR QD 3.430 2.870 3.990 3.113 2.996 3.290 . 0 0 "[ . 1]" 1
785 1 49 TYR H 1 49 TYR HB3 3.650 2.920 4.380 3.719 3.669 3.763 . 0 0 "[ . 1]" 1
786 1 49 TYR HB2 1 49 TYR QE 4.400 3.090 5.710 4.472 4.373 4.531 . 0 0 "[ . 1]" 1
787 1 49 TYR HA 1 49 TYR QE 5.060 3.090 7.040 4.760 4.646 4.960 . 0 0 "[ . 1]" 1
788 1 49 TYR HA 1 50 GLU H 2.310 2.160 2.460 2.307 2.232 2.412 . 0 0 "[ . 1]" 1
789 1 49 TYR QD 1 50 GLU H 3.620 2.940 4.300 3.658 3.364 4.156 . 0 0 "[ . 1]" 1
790 1 49 TYR HB2 1 50 GLU H 4.060 3.040 5.090 3.442 3.025 3.661 0.015 6 0 "[ . 1]" 1
791 1 49 TYR HB2 1 50 GLU HG2 4.190 2.980 5.360 5.456 5.405 5.522 0.162 4 0 "[ . 1]" 1
792 1 49 TYR H 1 50 GLU H 5.840 3.080 8.600 4.429 4.345 4.468 . 0 0 "[ . 1]" 1
793 1 49 TYR HB2 1 83 LEU HG 3.830 2.990 4.690 3.683 3.265 3.958 . 0 0 "[ . 1]" 1
794 1 49 TYR HB3 1 83 LEU MD2 3.960 3.000 4.930 3.919 3.044 4.494 . 0 0 "[ . 1]" 1
795 1 49 TYR HB2 1 83 LEU MD2 4.130 3.030 5.240 4.504 3.131 5.291 0.051 4 0 "[ . 1]" 1
796 1 49 TYR QE 1 83 LEU MD2 4.350 3.080 5.620 3.303 3.030 4.117 0.050 4 0 "[ . 1]" 1
797 1 49 TYR HB3 1 83 LEU MD1 4.470 3.070 5.880 3.026 2.980 3.144 0.090 7 0 "[ . 1]" 1
798 1 49 TYR H 1 83 LEU HG 4.660 3.100 6.220 5.992 5.671 6.292 0.072 10 0 "[ . 1]" 1
799 1 49 TYR QD 1 83 LEU MD2 4.670 3.100 6.240 3.085 2.968 3.251 0.132 7 0 "[ . 1]" 1
800 1 49 TYR QE 1 83 LEU MD1 4.910 3.110 6.720 4.443 3.407 5.891 . 0 0 "[ . 1]" 1
801 1 49 TYR QD 1 83 LEU HA 5.010 3.120 6.900 4.750 4.140 5.643 . 0 0 "[ . 1]" 1
802 1 49 TYR QD 1 83 LEU MD1 5.160 3.110 7.210 3.484 3.027 4.303 0.083 6 0 "[ . 1]" 1
803 1 49 TYR HB2 1 83 LEU MD1 5.600 3.060 8.150 3.069 2.975 3.182 0.085 5 0 "[ . 1]" 1
804 1 49 TYR HB3 1 84 LYS H 3.840 3.000 4.680 3.463 3.301 3.849 . 0 0 "[ . 1]" 1
805 1 49 TYR QD 1 84 LYS H 4.640 3.100 6.180 3.669 3.205 4.591 . 0 0 "[ . 1]" 1
806 1 49 TYR QE 1 85 LYS HE3 3.820 2.990 6.480 4.986 2.978 6.150 0.012 6 0 "[ . 1]" 1
807 1 49 TYR QE 1 85 LYS HB3 3.830 2.990 4.680 4.553 4.458 4.649 . 0 0 "[ . 1]" 1
808 1 49 TYR QD 1 85 LYS HA 3.920 3.020 4.820 3.075 2.949 3.325 0.071 5 0 "[ . 1]" 1
809 1 49 TYR QE 1 85 LYS HG3 4.060 3.030 5.090 3.702 3.006 4.244 0.024 7 0 "[ . 1]" 1
810 1 49 TYR QE 1 85 LYS H 4.070 3.030 5.110 4.166 3.524 5.146 0.036 6 0 "[ . 1]" 1
811 1 49 TYR QD 1 85 LYS H 4.190 3.050 5.340 3.686 3.190 4.152 . 0 0 "[ . 1]" 1
812 1 49 TYR QE 1 85 LYS HA 5.160 3.110 7.210 3.957 3.436 4.548 . 0 0 "[ . 1]" 1
813 1 49 TYR QE 1 85 LYS HB2 5.490 3.070 7.930 2.978 2.914 3.020 0.156 4 0 "[ . 1]" 1
814 1 49 TYR QE 1 85 LYS HE2 5.650 . 8.200 4.283 2.877 5.610 . 0 0 "[ . 1]" 1
815 1 49 TYR HA 1 86 ARG H 3.030 2.690 3.370 2.750 2.674 2.975 0.016 1 0 "[ . 1]" 1
816 1 49 TYR HB2 1 86 ARG H 4.340 3.070 5.610 5.558 5.398 5.664 0.054 4 0 "[ . 1]" 1
817 1 49 TYR H 1 86 ARG H 4.420 3.080 5.760 4.655 4.467 4.819 . 0 0 "[ . 1]" 1
818 1 49 TYR QD 1 86 ARG H 5.910 3.080 8.750 4.630 4.368 4.933 . 0 0 "[ . 1]" 1
819 1 50 GLU HB2 1 50 GLU HG2 2.390 2.210 2.570 2.602 2.453 2.831 0.261 1 0 "[ . 1]" 1
820 1 50 GLU H 1 50 GLU HA 2.940 2.620 3.260 2.924 2.826 2.981 . 0 0 "[ . 1]" 1
821 1 50 GLU H 1 50 GLU HG3 4.140 3.040 5.250 3.800 2.892 4.435 0.148 6 0 "[ . 1]" 1
822 1 50 GLU HA 1 51 LEU H 2.500 2.310 2.690 2.359 2.287 2.547 0.023 9 0 "[ . 1]" 1
823 1 50 GLU HB2 1 51 LEU H 3.590 2.930 4.250 3.442 2.784 3.883 0.146 4 0 "[ . 1]" 1
824 1 50 GLU HG3 1 51 LEU H 5.270 3.060 7.490 4.755 4.073 5.208 . 0 0 "[ . 1]" 1
825 1 50 GLU H 1 83 LEU HG 3.460 2.890 4.030 3.786 3.272 4.091 0.061 2 0 "[ . 1]" 1
826 1 50 GLU H 1 83 LEU MD2 5.110 3.100 7.120 5.238 4.716 5.557 . 0 0 "[ . 1]" 1
827 1 50 GLU H 1 83 LEU HB3 5.430 3.040 7.810 5.984 5.748 6.343 . 0 0 "[ . 1]" 1
828 1 50 GLU HG3 1 84 LYS HD3 3.480 2.870 4.790 3.434 2.760 4.423 0.110 6 0 "[ . 1]" 1
829 1 50 GLU HG3 1 84 LYS HD2 4.170 2.340 5.320 3.768 2.916 4.549 . 0 0 "[ . 1]" 1
830 1 50 GLU H 1 84 LYS HB2 4.300 3.030 5.560 4.059 3.000 4.661 0.030 10 0 "[ . 1]" 1
831 1 50 GLU H 1 85 LYS HA 3.780 2.970 4.590 3.950 3.617 4.486 . 0 0 "[ . 1]" 1
832 1 50 GLU HG2 1 86 ARG HB3 3.750 2.920 4.560 4.696 4.611 4.750 0.190 2 0 "[ . 1]" 1
833 1 50 GLU HG2 1 86 ARG HG2 3.790 2.950 4.630 3.211 2.805 3.988 0.145 7 0 "[ . 1]" 1
834 1 50 GLU H 1 86 ARG H 4.470 3.080 5.870 4.466 4.092 4.813 . 0 0 "[ . 1]" 1
835 1 50 GLU HG3 1 86 ARG HA 4.650 3.010 6.240 5.602 5.056 6.269 0.029 6 0 "[ . 1]" 1
836 1 51 LEU HA 1 51 LEU HB2 2.340 2.180 2.500 2.149 2.133 2.162 0.047 8 0 "[ . 1]" 1
837 1 51 LEU HB2 1 51 LEU MD1 2.920 2.620 3.220 2.427 2.419 2.432 0.201 3 0 "[ . 1]" 1
838 1 51 LEU H 1 51 LEU HA 2.940 2.620 3.270 2.879 2.867 2.888 . 0 0 "[ . 1]" 1
839 1 51 LEU HB3 1 51 LEU MD2 3.090 2.700 3.490 2.503 2.472 2.539 0.228 7 0 "[ . 1]" 1
840 1 51 LEU H 1 51 LEU HB2 3.120 2.730 3.510 3.576 3.536 3.639 0.129 10 0 "[ . 1]" 1
841 1 51 LEU MD1 1 51 LEU MD2 3.370 2.850 3.890 2.356 2.326 2.371 0.524 8 2 "[ - . + 1]" 1
842 1 51 LEU HA 1 51 LEU MD2 3.910 3.010 4.810 3.881 3.803 3.989 . 0 0 "[ . 1]" 1
843 1 51 LEU HA 1 51 LEU MD1 4.160 3.040 5.290 4.110 4.080 4.142 . 0 0 "[ . 1]" 1
844 1 51 LEU H 1 51 LEU HG 4.460 3.080 5.850 4.262 4.158 4.368 . 0 0 "[ . 1]" 1
845 1 51 LEU H 1 51 LEU MD2 4.960 3.090 6.840 2.939 2.889 3.028 0.201 2 0 "[ . 1]" 1
846 1 51 LEU H 1 51 LEU MD1 5.660 3.090 8.230 4.621 4.501 4.680 . 0 0 "[ . 1]" 1
847 1 51 LEU HA 1 52 LEU H 2.140 2.010 2.270 2.104 2.006 2.270 0.004 9 0 "[ . 1]" 1
848 1 51 LEU MD2 1 52 LEU H 3.930 3.010 4.860 4.380 4.099 4.642 . 0 0 "[ . 1]" 1
849 1 51 LEU MD1 1 52 LEU H 5.410 3.090 7.740 4.601 4.298 4.792 . 0 0 "[ . 1]" 1
850 1 51 LEU HG 1 53 GLN H 4.550 3.070 6.050 5.252 5.092 5.421 . 0 0 "[ . 1]" 1
851 1 51 LEU MD1 1 53 GLN HA 4.780 3.100 6.470 6.227 5.956 6.478 0.008 2 0 "[ . 1]" 1
852 1 51 LEU MD2 1 53 GLN HA 5.160 3.070 7.250 6.035 5.829 6.202 . 0 0 "[ . 1]" 1
853 1 51 LEU HA 1 53 GLN H 6.210 3.060 9.380 6.154 5.921 6.340 . 0 0 "[ . 1]" 1
854 1 51 LEU HG 1 63 ILE HB 2.820 2.530 3.120 3.238 3.190 3.286 0.166 4 0 "[ . 1]" 1
855 1 51 LEU HB3 1 63 ILE HB 3.620 2.930 4.320 4.460 4.349 4.501 0.181 4 0 "[ . 1]" 1
856 1 51 LEU MD1 1 63 ILE HG13 3.750 2.970 4.530 4.601 4.502 4.694 0.164 8 0 "[ . 1]" 1
857 1 51 LEU H 1 63 ILE HB 3.800 2.980 4.640 4.114 3.645 4.368 . 0 0 "[ . 1]" 1
858 1 51 LEU HB3 1 63 ILE MG 4.060 3.030 5.100 5.055 4.946 5.143 0.043 5 0 "[ . 1]" 1
859 1 51 LEU MD1 1 63 ILE MG 4.500 3.060 5.950 4.037 3.889 4.235 . 0 0 "[ . 1]" 1
860 1 51 LEU MD1 1 63 ILE HG12 4.610 3.110 6.110 5.365 5.265 5.487 . 0 0 "[ . 1]" 1
861 1 51 LEU MD1 1 63 ILE HB 5.530 3.100 7.960 4.432 4.345 4.536 . 0 0 "[ . 1]" 1
862 1 51 LEU MD1 1 69 VAL MG2 3.710 2.950 4.480 3.946 3.515 4.416 . 0 0 "[ . 1]" 1
863 1 51 LEU MD1 1 69 VAL MG1 4.230 2.980 5.430 4.562 4.136 5.157 . 0 0 "[ . 1]" 1
864 1 51 LEU HG 1 81 PHE HB3 2.680 2.430 2.930 2.929 2.596 3.019 0.089 7 0 "[ . 1]" 1
865 1 51 LEU HG 1 81 PHE QE 4.170 3.060 5.280 3.868 3.400 4.205 . 0 0 "[ . 1]" 1
866 1 51 LEU MD2 1 81 PHE HB3 4.440 3.080 5.800 4.510 4.169 4.636 . 0 0 "[ . 1]" 1
867 1 51 LEU MD2 1 81 PHE HB2 4.480 3.080 5.890 5.600 5.219 5.718 . 0 0 "[ . 1]" 1
868 1 51 LEU MD1 1 81 PHE QD 4.890 3.100 6.680 2.917 2.808 2.957 0.292 2 0 "[ . 1]" 1
869 1 51 LEU MD1 1 81 PHE HB2 5.150 3.100 7.210 3.605 3.286 3.955 . 0 0 "[ . 1]" 1
870 1 51 LEU HB3 1 81 PHE QD 5.940 3.060 8.850 4.995 4.707 5.180 . 0 0 "[ . 1]" 1
871 1 51 LEU MD1 1 81 PHE QE 6.080 3.070 9.090 3.755 3.413 4.014 . 0 0 "[ . 1]" 1
872 1 51 LEU MD1 1 81 PHE HB3 6.110 3.010 9.200 3.064 2.946 3.344 0.064 1 0 "[ . 1]" 1
873 1 51 LEU MD1 1 81 PHE HZ 6.200 2.950 9.380 5.276 4.849 5.747 . 0 0 "[ . 1]" 1
874 1 51 LEU HG 1 82 VAL H 4.680 3.070 6.310 4.608 4.297 4.869 . 0 0 "[ . 1]" 1
875 1 51 LEU MD2 1 82 VAL H 5.470 3.100 7.850 5.866 5.599 6.075 . 0 0 "[ . 1]" 1
876 1 52 LEU HA 1 52 LEU HG 2.520 2.330 2.710 2.692 2.550 2.766 0.056 1 0 "[ . 1]" 1
877 1 52 LEU H 1 52 LEU HB3 2.700 2.460 2.940 2.634 2.508 2.759 . 0 0 "[ . 1]" 1
878 1 52 LEU HB2 1 52 LEU MD1 2.750 2.480 3.020 2.405 2.385 2.423 0.095 3 0 "[ . 1]" 1
879 1 52 LEU HA 1 52 LEU HB2 3.010 2.670 3.350 2.627 2.594 2.642 0.076 8 0 "[ . 1]" 1
880 1 52 LEU HB2 1 52 LEU MD2 3.410 2.840 3.980 3.324 3.277 3.361 . 0 0 "[ . 1]" 1
881 1 52 LEU H 1 52 LEU MD1 4.040 3.050 5.030 4.332 4.242 4.452 . 0 0 "[ . 1]" 1
882 1 52 LEU HA 1 52 LEU MD1 4.360 3.060 5.660 3.918 3.866 3.993 . 0 0 "[ . 1]" 1
883 1 52 LEU HA 1 52 LEU MD2 4.370 3.070 5.690 2.933 2.841 3.049 0.229 6 0 "[ . 1]" 1
884 1 52 LEU H 1 52 LEU MD2 4.550 3.090 6.020 4.392 4.249 4.501 . 0 0 "[ . 1]" 1
885 1 52 LEU HA 1 53 GLN H 2.270 2.120 2.420 2.406 2.264 2.471 0.051 9 0 "[ . 1]" 1
886 1 52 LEU HB2 1 53 GLN H 4.170 3.050 5.300 4.582 4.524 4.638 . 0 0 "[ . 1]" 1
887 1 52 LEU HG 1 53 GLN H 5.310 3.070 7.570 4.102 3.759 4.335 . 0 0 "[ . 1]" 1
888 1 52 LEU MD1 1 53 GLN H 5.380 3.080 7.700 4.896 4.768 5.026 . 0 0 "[ . 1]" 1
889 1 52 LEU HA 1 61 LEU HB2 4.280 3.040 5.530 5.178 4.990 5.338 . 0 0 "[ . 1]" 1
890 1 52 LEU HG 1 62 LYS HA 2.520 2.320 2.720 2.763 2.692 2.856 0.136 6 0 "[ . 1]" 1
891 1 52 LEU HA 1 62 LYS HG3 2.920 2.620 3.220 3.324 3.243 3.404 0.184 10 0 "[ . 1]" 1
892 1 52 LEU MD1 1 62 LYS HG2 3.870 2.990 4.760 3.885 3.190 4.593 . 0 0 "[ . 1]" 1
893 1 52 LEU MD1 1 62 LYS H 4.250 3.040 5.470 5.375 5.027 5.516 0.046 3 0 "[ . 1]" 1
894 1 52 LEU HA 1 62 LYS HG2 4.720 3.080 6.370 4.523 3.360 4.975 . 0 0 "[ . 1]" 1
895 1 52 LEU HA 1 63 ILE HG12 3.320 2.820 3.820 3.019 2.818 3.393 0.002 9 0 "[ . 1]" 1
896 1 52 LEU HG 1 63 ILE H 5.120 3.080 7.180 4.548 4.469 4.702 . 0 0 "[ . 1]" 1
897 1 52 LEU HA 1 81 PHE QD 4.810 3.070 6.570 5.013 4.852 5.416 . 0 0 "[ . 1]" 1
898 1 52 LEU H 1 81 PHE HB3 5.060 3.090 7.040 3.670 3.320 4.101 . 0 0 "[ . 1]" 1
899 1 52 LEU HB2 1 82 VAL H 3.510 2.900 4.120 4.029 3.491 4.185 0.065 5 0 "[ . 1]" 1
900 1 52 LEU H 1 83 LEU H 3.920 3.010 4.830 4.816 4.674 4.867 0.037 9 0 "[ . 1]" 1
901 1 52 LEU MD2 1 84 LYS HD2 3.140 2.700 5.570 4.880 3.552 5.591 0.021 3 0 "[ . 1]" 1
902 1 52 LEU HB3 1 84 LYS HD2 3.260 2.760 5.020 4.428 3.018 5.034 0.014 8 0 "[ . 1]" 1
903 1 52 LEU HG 1 84 LYS HG2 3.270 2.250 3.750 3.865 3.831 3.922 0.172 6 0 "[ . 1]" 1
904 1 52 LEU MD2 1 84 LYS HE2 4.370 3.040 7.400 5.204 4.141 5.557 . 0 0 "[ . 1]" 1
905 1 52 LEU HB3 1 84 LYS HD3 4.540 . 6.020 5.544 4.558 6.064 0.044 7 0 "[ . 1]" 1
906 1 52 LEU MD2 1 84 LYS HD3 5.140 . 7.210 6.055 4.514 6.676 . 0 0 "[ . 1]" 1
907 1 52 LEU MD1 1 84 LYS HE3 5.650 3.030 8.510 3.863 3.246 4.214 . 0 0 "[ . 1]" 1
908 1 52 LEU MD1 1 84 LYS HE2 5.910 2.760 8.780 2.780 2.674 3.269 0.086 9 0 "[ . 1]" 1
909 1 52 LEU MD2 1 84 LYS HE3 6.080 . 9.130 5.940 4.624 6.863 . 0 0 "[ . 1]" 1
910 1 53 GLN HB2 1 53 GLN HG3 2.150 2.020 2.280 2.264 2.202 2.295 0.015 7 0 "[ . 1]" 1
911 1 53 GLN HA 1 53 GLN HG3 2.640 2.420 2.870 2.912 2.882 2.959 0.089 6 0 "[ . 1]" 1
912 1 53 GLN HA 1 53 GLN HB3 2.790 2.520 3.060 2.631 2.578 2.694 . 0 0 "[ . 1]" 1
913 1 53 GLN HB2 1 53 GLN HE21 2.870 2.580 3.160 2.490 2.434 2.803 0.146 5 0 "[ . 1]" 1
914 1 53 GLN H 1 53 GLN HA 3.090 2.700 3.480 2.879 2.859 2.911 . 0 0 "[ . 1]" 1
915 1 53 GLN HE21 1 53 GLN HG3 3.300 2.800 3.810 3.121 3.010 3.531 . 0 0 "[ . 1]" 1
916 1 53 GLN H 1 53 GLN HG2 3.300 2.820 3.780 3.884 3.840 3.933 0.153 1 0 "[ . 1]" 1
917 1 53 GLN HE22 1 53 GLN HG2 3.640 2.930 4.360 4.088 3.901 4.137 . 0 0 "[ . 1]" 1
918 1 53 GLN HE22 1 53 GLN HG3 4.010 2.970 5.020 3.812 3.744 4.059 . 0 0 "[ . 1]" 1
919 1 53 GLN H 1 53 GLN HE21 4.180 3.060 5.300 4.619 4.458 5.042 . 0 0 "[ . 1]" 1
920 1 53 GLN HB2 1 53 GLN HE22 4.400 3.060 5.760 3.974 3.856 4.016 . 0 0 "[ . 1]" 1
921 1 53 GLN HE21 1 53 GLN HG2 4.590 3.100 6.080 3.565 3.054 3.668 0.046 8 0 "[ . 1]" 1
922 1 53 GLN HB3 1 54 ILE H 2.670 2.440 2.900 2.935 2.843 2.969 0.069 9 0 "[ . 1]" 1
923 1 53 GLN HA 1 54 ILE MD 3.280 2.810 3.750 3.483 3.225 3.931 0.181 3 0 "[ . 1]" 1
924 1 53 GLN H 1 54 ILE HG13 4.150 3.030 5.280 5.079 4.359 5.301 0.021 1 0 "[ . 1]" 1
925 1 53 GLN HG3 1 54 ILE H 4.440 3.060 5.830 4.609 4.491 4.717 . 0 0 "[ . 1]" 1
926 1 53 GLN H 1 54 ILE H 4.540 3.090 5.990 4.400 4.351 4.444 . 0 0 "[ . 1]" 1
927 1 53 GLN HA 1 54 ILE HB 4.650 3.070 6.240 4.136 4.024 4.220 . 0 0 "[ . 1]" 1
928 1 53 GLN HE22 1 55 LEU MD2 4.200 3.050 5.360 5.402 5.383 5.453 0.093 8 0 "[ . 1]" 1
929 1 53 GLN HB2 1 55 LEU MD1 4.260 3.000 5.480 3.474 3.239 3.645 . 0 0 "[ . 1]" 1
930 1 53 GLN HE21 1 55 LEU MD1 5.400 3.090 7.720 3.015 2.934 3.043 0.156 6 0 "[ . 1]" 1
931 1 53 GLN H 1 61 LEU HB2 2.860 2.570 3.160 3.220 3.164 3.323 0.163 9 0 "[ . 1]" 1
932 1 53 GLN H 1 61 LEU H 3.560 2.930 4.190 3.251 2.977 3.567 . 0 0 "[ . 1]" 1
933 1 53 GLN HE22 1 61 LEU MD1 4.300 3.080 5.520 3.300 3.056 3.869 0.024 10 0 "[ . 1]" 1
934 1 53 GLN HE22 1 63 ILE MD 3.770 2.980 4.570 3.365 3.044 3.534 . 0 0 "[ . 1]" 1
935 1 53 GLN H 1 63 ILE HG13 4.240 3.050 5.440 3.844 3.587 4.063 . 0 0 "[ . 1]" 1
936 1 53 GLN H 1 63 ILE MD 5.110 3.090 7.150 3.226 3.075 3.423 0.015 1 0 "[ . 1]" 1
937 1 53 GLN HB2 1 63 ILE MG 5.330 3.030 7.610 5.603 5.366 5.776 . 0 0 "[ . 1]" 1
938 1 53 GLN HE22 1 73 MET HB3 3.280 2.790 3.780 3.938 3.891 3.966 0.186 2 0 "[ . 1]" 1
939 1 53 GLN HE21 1 73 MET HB2 5.460 3.010 7.870 4.794 4.589 5.016 . 0 0 "[ . 1]" 1
940 1 53 GLN HE21 1 74 ASN HA 4.040 3.040 5.040 4.962 4.769 5.103 0.063 4 0 "[ . 1]" 1
941 1 53 GLN HE21 1 74 ASN HB2 4.050 3.020 5.100 5.140 4.800 5.235 0.135 10 0 "[ . 1]" 1
942 1 53 GLN HG3 1 74 ASN HD22 4.210 3.060 5.370 5.449 5.403 5.490 0.120 9 0 "[ . 1]" 1
943 1 53 GLN HE21 1 74 ASN HD22 4.290 3.080 5.500 4.140 3.295 4.605 . 0 0 "[ . 1]" 1
944 1 53 GLN HE21 1 74 ASN HB3 5.900 2.980 8.770 3.574 3.472 3.672 . 0 0 "[ . 1]" 1
945 1 53 GLN HE21 1 80 ASP H 4.620 3.080 6.190 6.256 5.892 6.351 0.161 9 0 "[ . 1]" 1
946 1 53 GLN HG2 1 81 PHE QE 3.170 2.740 3.600 3.260 2.938 3.479 . 0 0 "[ . 1]" 1
947 1 53 GLN HA 1 81 PHE QD 3.490 2.900 4.080 3.790 3.597 3.900 . 0 0 "[ . 1]" 1
948 1 53 GLN HG3 1 81 PHE HZ 3.920 2.950 4.860 3.969 3.641 4.447 . 0 0 "[ . 1]" 1
949 1 53 GLN HA 1 81 PHE HB3 4.020 2.990 5.050 4.227 4.073 4.398 . 0 0 "[ . 1]" 1
950 1 53 GLN H 1 81 PHE QD 4.440 3.050 5.830 4.667 4.475 4.855 . 0 0 "[ . 1]" 1
951 1 53 GLN HA 1 81 PHE QE 4.530 3.090 5.980 4.684 4.429 4.852 . 0 0 "[ . 1]" 1
952 1 53 GLN HA 1 81 PHE HZ 4.600 3.010 6.160 5.729 5.370 5.961 . 0 0 "[ . 1]" 1
953 1 53 GLN HG2 1 81 PHE HZ 4.670 3.050 6.290 3.730 3.160 3.968 . 0 0 "[ . 1]" 1
954 1 53 GLN HG3 1 81 PHE QD 4.960 3.030 6.860 3.409 3.248 3.586 . 0 0 "[ . 1]" 1
955 1 53 GLN HG2 1 81 PHE QD 5.120 3.090 7.160 3.287 3.089 3.425 0.001 4 0 "[ . 1]" 1
956 1 53 GLN HG3 1 81 PHE QE 5.350 3.070 7.640 3.067 2.991 3.232 0.079 4 0 "[ . 1]" 1
957 1 53 GLN H 1 81 PHE QE 5.390 3.070 7.720 5.435 5.367 5.541 . 0 0 "[ . 1]" 1
958 1 53 GLN HA 1 82 VAL H 4.090 3.040 5.140 3.898 3.708 4.074 . 0 0 "[ . 1]" 1
959 1 54 ILE HB 1 54 ILE HG13 2.560 2.350 2.780 2.775 2.486 2.858 0.078 10 0 "[ . 1]" 1
960 1 54 ILE HA 1 54 ILE HG12 2.710 2.460 2.960 3.124 2.739 3.250 0.290 7 0 "[ . 1]" 1
961 1 54 ILE H 1 54 ILE HB 2.840 2.560 3.120 2.518 2.486 2.551 0.074 2 0 "[ . 1]" 1
962 1 54 ILE H 1 54 ILE HA 2.940 2.600 3.280 2.904 2.885 2.927 . 0 0 "[ . 1]" 1
963 1 54 ILE HG12 1 54 ILE MG 2.970 2.630 3.310 2.424 2.386 2.510 0.244 7 0 "[ . 1]" 1
964 1 54 ILE HA 1 54 ILE HB 3.100 2.710 3.490 2.964 2.938 3.015 . 0 0 "[ . 1]" 1
965 1 54 ILE HA 1 54 ILE MG 3.120 2.730 3.510 2.749 2.645 2.804 0.085 3 0 "[ . 1]" 1
966 1 54 ILE H 1 54 ILE HG12 4.080 3.050 5.110 4.651 4.161 4.760 . 0 0 "[ . 1]" 1
967 1 54 ILE H 1 54 ILE MD 4.490 3.080 5.900 3.125 3.001 3.556 0.079 7 0 "[ . 1]" 1
968 1 54 ILE HA 1 54 ILE MD 4.810 3.080 6.560 3.281 3.049 3.795 0.031 9 0 "[ . 1]" 1
969 1 54 ILE MG 1 55 LEU H 3.430 2.870 3.990 2.774 2.736 2.828 0.134 4 0 "[ . 1]" 1
970 1 54 ILE H 1 55 LEU H 4.350 3.070 5.630 4.285 4.119 4.399 . 0 0 "[ . 1]" 1
971 1 54 ILE HA 1 55 LEU HB2 4.620 3.090 6.160 4.356 4.208 4.467 . 0 0 "[ . 1]" 1
972 1 54 ILE MG 1 56 SER H 4.770 3.100 6.440 3.913 3.278 4.345 . 0 0 "[ . 1]" 1
973 1 54 ILE HG13 1 60 LYS HG3 2.990 2.650 4.220 4.164 3.561 4.302 0.082 10 0 "[ . 1]" 1
974 1 54 ILE MG 1 60 LYS HG2 3.210 2.760 5.160 3.863 2.956 5.177 0.017 5 0 "[ . 1]" 1
975 1 54 ILE MG 1 60 LYS HE3 3.450 2.860 4.050 3.863 3.386 4.159 0.109 9 0 "[ . 1]" 1
976 1 54 ILE HG13 1 60 LYS HG2 3.880 2.120 4.750 3.501 2.370 4.780 0.030 2 0 "[ . 1]" 1
977 1 54 ILE MD 1 60 LYS HE3 4.320 3.000 5.600 4.296 3.260 5.619 0.019 5 0 "[ . 1]" 1
978 1 54 ILE HA 1 60 LYS HG2 4.340 3.070 5.890 3.583 2.973 5.044 0.097 8 0 "[ . 1]" 1
979 1 54 ILE MG 1 60 LYS HG3 4.700 . 6.340 4.545 3.818 5.186 . 0 0 "[ . 1]" 1
980 1 54 ILE HG13 1 61 LEU H 3.730 2.970 4.490 4.126 3.639 4.459 . 0 0 "[ . 1]" 1
981 1 54 ILE H 1 61 LEU H 4.230 3.060 5.400 4.854 4.733 5.079 . 0 0 "[ . 1]" 1
982 1 54 ILE HA 1 61 LEU H 4.370 3.090 5.650 3.710 3.473 3.975 . 0 0 "[ . 1]" 1
983 1 54 ILE MG 1 61 LEU H 5.130 3.100 7.160 5.773 5.565 5.941 . 0 0 "[ . 1]" 1
984 1 54 ILE HB 1 80 ASP HB3 2.880 2.570 3.190 2.596 2.495 2.794 0.075 6 0 "[ . 1]" 1
985 1 54 ILE H 1 80 ASP HB3 4.320 3.000 5.610 3.426 2.974 4.164 0.026 4 0 "[ . 1]" 1
986 1 54 ILE MD 1 80 ASP HB3 4.810 3.090 6.540 3.858 3.066 4.292 0.024 8 0 "[ . 1]" 1
987 1 54 ILE MD 1 80 ASP HB2 5.480 3.030 7.900 5.001 3.650 5.780 . 0 0 "[ . 1]" 1
988 1 54 ILE MG 1 80 ASP HB3 6.050 3.010 9.070 3.183 2.928 3.641 0.082 4 0 "[ . 1]" 1
989 1 54 ILE H 1 81 PHE HA 3.140 2.740 3.540 3.255 3.098 3.400 . 0 0 "[ . 1]" 1
990 1 54 ILE MD 1 81 PHE HA 4.550 3.090 6.020 3.379 3.128 3.680 . 0 0 "[ . 1]" 1
991 1 54 ILE H 1 81 PHE QD 4.860 3.110 6.620 4.765 4.261 5.015 . 0 0 "[ . 1]" 1
992 1 54 ILE MG 1 81 PHE HA 4.930 3.100 6.760 5.708 5.553 5.854 . 0 0 "[ . 1]" 1
993 1 54 ILE MD 1 81 PHE QD 4.930 3.090 6.780 5.448 5.268 5.675 . 0 0 "[ . 1]" 1
994 1 54 ILE MD 1 81 PHE HB3 5.230 3.020 7.400 5.196 5.056 5.412 . 0 0 "[ . 1]" 1
995 1 54 ILE HG13 1 82 VAL H 4.630 3.060 6.210 5.420 4.063 5.850 . 0 0 "[ . 1]" 1
996 1 54 ILE HG12 1 82 VAL H 4.670 3.070 6.290 5.984 5.323 6.309 0.019 4 0 "[ . 1]" 1
997 1 54 ILE MD 1 82 VAL H 5.010 3.080 6.960 3.085 3.009 3.244 0.071 10 0 "[ . 1]" 1
998 1 54 ILE H 1 82 VAL H 5.330 3.060 7.610 4.747 4.473 5.111 . 0 0 "[ . 1]" 1
999 1 54 ILE MD 1 82 VAL HA 5.520 3.030 7.990 4.242 4.096 4.410 . 0 0 "[ . 1]" 1
1000 1 55 LEU H 1 55 LEU HB2 2.200 2.070 2.330 2.398 2.345 2.434 0.104 6 0 "[ . 1]" 1
1001 1 55 LEU HA 1 55 LEU HB3 2.340 2.180 2.500 2.497 2.383 2.529 0.029 8 0 "[ . 1]" 1
1002 1 55 LEU HB3 1 55 LEU MD2 2.750 2.490 3.020 2.409 2.372 2.429 0.118 8 0 "[ . 1]" 1
1003 1 55 LEU H 1 55 LEU HA 2.940 2.620 3.260 2.902 2.873 2.941 . 0 0 "[ . 1]" 1
1004 1 55 LEU HB3 1 55 LEU MD1 2.950 2.630 3.280 3.431 3.419 3.440 0.160 2 0 "[ . 1]" 1
1005 1 55 LEU MD1 1 55 LEU MD2 3.370 2.850 3.890 2.404 2.393 2.426 0.457 4 0 "[ . 1]" 1
1006 1 55 LEU HB2 1 55 LEU MD1 3.580 2.930 4.230 2.728 2.663 2.758 0.267 8 0 "[ . 1]" 1
1007 1 55 LEU HA 1 55 LEU MD2 3.860 3.010 4.710 3.937 3.744 4.005 . 0 0 "[ . 1]" 1
1008 1 55 LEU HA 1 55 LEU MD1 3.940 3.020 4.860 3.099 2.968 3.472 0.052 10 0 "[ . 1]" 1
1009 1 55 LEU H 1 55 LEU MD1 4.870 3.090 6.670 2.834 2.790 2.889 0.300 4 0 "[ . 1]" 1
1010 1 55 LEU HB3 1 56 SER H 2.280 2.120 2.440 2.481 2.260 2.612 0.172 8 0 "[ . 1]" 1
1011 1 55 LEU MD2 1 56 SER H 4.800 3.080 6.540 4.009 3.777 4.437 . 0 0 "[ . 1]" 1
1012 1 55 LEU MD2 1 59 ARG HB2 3.060 2.690 3.440 2.843 2.650 3.456 0.040 10 0 "[ . 1]" 1
1013 1 55 LEU MD1 1 59 ARG HB2 3.930 2.990 4.870 3.780 3.026 4.371 . 0 0 "[ . 1]" 1
1014 1 55 LEU MD2 1 59 ARG HD3 5.870 3.070 8.700 5.195 4.246 6.060 . 0 0 "[ . 1]" 1
1015 1 55 LEU H 1 60 LYS HA 3.070 2.700 3.440 3.353 3.079 3.498 0.058 8 0 "[ . 1]" 1
1016 1 55 LEU H 1 60 LYS HG3 4.690 3.070 8.020 4.856 4.072 6.054 . 0 0 "[ . 1]" 1
1017 1 55 LEU H 1 60 LYS HG2 6.380 . 9.740 3.919 2.684 5.706 . 0 0 "[ . 1]" 1
1018 1 55 LEU MD1 1 61 LEU H 4.740 3.090 6.390 3.513 3.089 3.894 0.001 1 0 "[ . 1]" 1
1019 1 55 LEU H 1 61 LEU H 6.140 3.070 9.220 4.953 4.655 5.264 . 0 0 "[ . 1]" 1
1020 1 55 LEU MD1 1 74 ASN HB2 3.720 2.940 4.500 3.983 3.833 4.209 . 0 0 "[ . 1]" 1
1021 1 55 LEU MD1 1 74 ASN HB3 3.930 3.020 4.840 3.016 2.931 3.177 0.089 3 0 "[ . 1]" 1
1022 1 55 LEU HG 1 74 ASN HD22 4.160 3.050 5.270 3.594 3.034 4.587 0.016 4 0 "[ . 1]" 1
1023 1 55 LEU MD2 1 74 ASN HB3 4.370 3.090 5.650 3.155 3.041 3.401 0.049 8 0 "[ . 1]" 1
1024 1 55 LEU MD2 1 74 ASN HD21 4.580 3.050 6.110 4.860 4.436 5.810 . 0 0 "[ . 1]" 1
1025 1 55 LEU MD1 1 74 ASN HD22 4.590 3.090 6.090 3.431 3.037 4.662 0.053 4 0 "[ . 1]" 1
1026 1 55 LEU MD1 1 74 ASN HD21 4.950 3.070 6.840 3.484 2.999 5.255 0.071 9 0 "[ . 1]" 1
1027 1 55 LEU MD2 1 74 ASN HD22 5.470 3.090 7.870 4.722 4.283 5.830 . 0 0 "[ . 1]" 1
1028 1 55 LEU MD1 1 74 ASN H 5.470 3.070 7.890 4.455 4.212 4.632 . 0 0 "[ . 1]" 1
1029 1 55 LEU MD2 1 79 TYR HB3 5.250 3.060 7.450 7.227 6.922 7.482 0.032 4 0 "[ . 1]" 1
1030 1 56 SER H 1 56 SER HA 2.900 2.590 3.210 2.849 2.468 2.920 0.122 6 0 "[ . 1]" 1
1031 1 56 SER H 1 56 SER HB2 3.510 2.870 4.140 3.160 2.859 3.576 0.011 10 0 "[ . 1]" 1
1032 1 56 SER HB3 1 57 ASP H 3.230 2.750 3.700 3.379 2.633 3.807 0.117 10 0 "[ . 1]" 1
1033 1 56 SER H 1 57 ASP H 4.280 3.060 5.510 4.066 3.410 4.378 . 0 0 "[ . 1]" 1
1034 1 57 ASP HA 1 58 ASP H 2.700 2.450 2.950 2.622 2.302 3.220 0.270 4 0 "[ . 1]" 1
1035 1 57 ASP H 1 58 ASP H 3.460 2.890 4.030 3.477 2.881 3.900 0.009 6 0 "[ . 1]" 1
1036 1 58 ASP H 1 58 ASP HA 2.780 2.520 3.050 2.857 2.727 2.994 . 0 0 "[ . 1]" 1
1037 1 58 ASP HA 1 58 ASP HB3 2.860 2.570 3.160 2.932 2.510 3.054 0.060 7 0 "[ . 1]" 1
1038 1 58 ASP H 1 58 ASP HB2 3.480 2.870 4.100 3.547 3.194 4.114 0.014 3 0 "[ . 1]" 1
1039 1 58 ASP H 1 59 ARG H 2.700 2.460 2.940 2.491 2.363 2.817 0.097 4 0 "[ . 1]" 1
1040 1 58 ASP HB3 1 59 ARG HG2 4.140 3.040 5.240 4.287 3.027 5.336 0.096 7 0 "[ . 1]" 1
1041 1 58 ASP H 1 60 LYS HA 4.170 3.050 5.290 5.304 4.952 5.515 0.225 4 0 "[ . 1]" 1
1042 1 59 ARG HD3 1 59 ARG HG3 2.380 2.210 2.550 2.464 2.392 2.526 . 0 0 "[ . 1]" 1
1043 1 59 ARG HA 1 59 ARG HB3 2.390 2.220 2.560 2.479 2.413 2.556 . 0 0 "[ . 1]" 1
1044 1 59 ARG HB3 1 59 ARG HD2 2.500 2.300 2.700 2.618 2.403 2.784 0.084 3 0 "[ . 1]" 1
1045 1 59 ARG H 1 59 ARG HB2 2.740 2.500 2.980 2.533 2.468 2.653 0.032 1 0 "[ . 1]" 1
1046 1 59 ARG H 1 59 ARG HA 2.800 2.530 3.070 2.880 2.791 2.926 . 0 0 "[ . 1]" 1
1047 1 59 ARG HD2 1 59 ARG HG3 3.520 2.910 4.130 3.001 2.977 3.018 . 0 0 "[ . 1]" 1
1048 1 59 ARG H 1 59 ARG HG3 3.700 2.970 4.430 3.318 2.869 3.823 0.101 7 0 "[ . 1]" 1
1049 1 59 ARG H 1 59 ARG HD2 4.240 3.070 5.420 4.554 3.541 5.348 . 0 0 "[ . 1]" 1
1050 1 59 ARG HB2 1 59 ARG HD3 4.420 3.090 5.750 3.981 3.687 4.251 . 0 0 "[ . 1]" 1
1051 1 59 ARG HB2 1 59 ARG HD2 5.280 3.120 7.440 3.410 3.088 3.697 0.032 7 0 "[ . 1]" 1
1052 1 59 ARG HA 1 60 LYS H 2.300 2.150 2.450 2.146 2.121 2.170 0.029 2 0 "[ . 1]" 1
1053 1 59 ARG HA 1 60 LYS HA 4.440 3.040 5.830 4.325 4.198 4.433 . 0 0 "[ . 1]" 1
1054 1 59 ARG H 1 60 LYS H 5.100 3.060 7.140 4.250 3.986 4.544 . 0 0 "[ . 1]" 1
1055 1 59 ARG HD3 1 60 LYS H 5.930 3.080 8.780 6.119 5.553 6.914 . 0 0 "[ . 1]" 1
1056 1 60 LYS H 1 60 LYS HA 2.920 2.620 3.220 2.897 2.839 2.938 . 0 0 "[ . 1]" 1
1057 1 60 LYS HD2 1 60 LYS HE3 2.990 2.630 3.350 2.757 2.505 3.079 0.125 10 0 "[ . 1]" 1
1058 1 60 LYS HD3 1 60 LYS HE3 2.990 2.640 3.350 2.673 2.545 3.076 0.095 2 0 "[ . 1]" 1
1059 1 60 LYS HA 1 60 LYS HB2 3.020 2.670 3.370 3.012 2.776 3.053 . 0 0 "[ . 1]" 1
1060 1 60 LYS HA 1 60 LYS HG2 3.100 2.610 3.500 2.836 2.584 3.562 0.062 3 0 "[ . 1]" 1
1061 1 60 LYS HE3 1 60 LYS HG2 3.440 2.870 4.720 3.391 2.763 4.295 0.107 3 0 "[ . 1]" 1
1062 1 60 LYS HE2 1 60 LYS HG3 3.560 2.910 4.450 3.492 3.114 3.831 . 0 0 "[ . 1]" 1
1063 1 60 LYS H 1 60 LYS HG3 3.700 2.960 5.250 3.370 2.925 4.549 0.035 7 0 "[ . 1]" 1
1064 1 60 LYS HE2 1 60 LYS HG2 3.780 2.740 4.610 3.602 2.642 3.851 0.098 8 0 "[ . 1]" 1
1065 1 60 LYS HE3 1 60 LYS HG3 4.150 2.340 5.260 3.485 2.644 3.880 . 0 0 "[ . 1]" 1
1066 1 60 LYS H 1 60 LYS HG2 4.510 2.270 5.950 3.635 2.563 5.044 . 0 0 "[ . 1]" 1
1067 1 60 LYS HB2 1 60 LYS HE3 4.800 3.050 6.550 4.276 3.042 5.070 0.008 3 0 "[ . 1]" 1
1068 1 60 LYS HB3 1 61 LEU H 2.900 2.590 3.210 3.055 2.882 3.264 0.054 3 0 "[ . 1]" 1
1069 1 60 LYS HA 1 61 LEU HG 2.990 2.650 3.330 3.361 3.142 3.448 0.118 4 0 "[ . 1]" 1
1070 1 60 LYS HB2 1 61 LEU H 4.050 3.020 5.090 3.912 3.666 4.218 . 0 0 "[ . 1]" 1
1071 1 60 LYS HG3 1 61 LEU H 6.070 2.270 9.110 4.950 2.336 5.475 . 0 0 "[ . 1]" 1
1072 1 61 LEU H 1 61 LEU HB2 2.880 2.590 3.170 2.592 2.560 2.668 0.030 4 0 "[ . 1]" 1
1073 1 61 LEU H 1 61 LEU HA 2.970 2.650 3.290 2.971 2.957 2.987 . 0 0 "[ . 1]" 1
1074 1 61 LEU HB3 1 61 LEU MD2 3.010 2.670 3.350 2.571 2.531 2.596 0.139 8 0 "[ . 1]" 1
1075 1 61 LEU H 1 61 LEU HB3 3.910 3.010 4.810 3.770 3.703 3.826 . 0 0 "[ . 1]" 1
1076 1 61 LEU MD2 1 62 LYS H 4.470 3.080 5.860 3.941 3.779 4.153 . 0 0 "[ . 1]" 1
1077 1 61 LEU HG 1 62 LYS H 4.690 3.070 6.330 5.251 5.138 5.379 . 0 0 "[ . 1]" 1
1078 1 61 LEU MD1 1 74 ASN HB3 4.370 3.030 5.700 3.312 2.996 4.420 0.034 4 0 "[ . 1]" 1
1079 1 61 LEU MD1 1 74 ASN H 4.650 3.100 6.200 4.621 4.238 4.994 . 0 0 "[ . 1]" 1
1080 1 61 LEU MD1 1 74 ASN HB2 5.250 3.040 7.440 4.630 4.150 5.807 . 0 0 "[ . 1]" 1
1081 1 61 LEU MD1 1 74 ASN HD22 6.820 3.030 10.630 5.236 4.746 5.897 . 0 0 "[ . 1]" 1
1082 1 62 LYS HB3 1 62 LYS HG2 2.230 2.090 2.370 2.274 2.126 2.404 0.034 1 0 "[ . 1]" 1
1083 1 62 LYS HD3 1 62 LYS HE2 2.250 2.100 2.410 2.433 2.406 2.448 0.038 1 0 "[ . 1]" 1
1084 1 62 LYS HA 1 62 LYS HB2 2.900 2.590 3.220 3.006 2.992 3.021 . 0 0 "[ . 1]" 1
1085 1 62 LYS HB2 1 62 LYS HG2 2.940 2.620 3.270 2.680 2.566 2.960 0.054 1 0 "[ . 1]" 1
1086 1 62 LYS H 1 62 LYS HA 3.010 2.660 3.360 2.882 2.844 2.929 . 0 0 "[ . 1]" 1
1087 1 62 LYS HD3 1 62 LYS HE3 3.320 2.830 3.810 3.033 3.024 3.044 . 0 0 "[ . 1]" 1
1088 1 62 LYS HA 1 62 LYS HG2 3.370 2.830 3.920 3.372 2.711 3.675 0.119 8 0 "[ . 1]" 1
1089 1 62 LYS HE2 1 62 LYS HG2 3.630 2.910 4.350 3.360 2.788 3.926 0.122 6 0 "[ . 1]" 1
1090 1 62 LYS HE2 1 62 LYS HG3 4.190 3.040 5.350 3.273 2.890 3.734 0.150 7 0 "[ . 1]" 1
1091 1 62 LYS H 1 62 LYS HG2 4.480 3.080 5.880 4.283 4.037 4.519 . 0 0 "[ . 1]" 1
1092 1 62 LYS H 1 62 LYS HD3 4.940 3.050 6.820 3.636 2.965 5.010 0.085 1 0 "[ . 1]" 1
1093 1 62 LYS HA 1 63 ILE H 2.190 2.060 2.330 2.205 2.126 2.276 . 0 0 "[ . 1]" 1
1094 1 62 LYS HG3 1 63 ILE H 4.100 3.050 5.150 4.056 3.777 4.551 . 0 0 "[ . 1]" 1
1095 1 62 LYS HA 1 63 ILE HG12 4.580 3.100 6.060 3.439 3.284 3.660 . 0 0 "[ . 1]" 1
1096 1 62 LYS HA 1 63 ILE HB 4.660 3.070 6.260 4.468 4.378 4.556 . 0 0 "[ . 1]" 1
1097 1 62 LYS HB2 1 64 PRO HD3 3.590 2.900 5.060 4.783 4.482 5.069 0.009 7 0 "[ . 1]" 1
1098 1 62 LYS HA 1 64 PRO HD3 5.440 3.040 8.520 5.284 5.068 5.477 . 0 0 "[ . 1]" 1
1099 1 62 LYS HA 1 64 PRO HD2 6.140 2.310 9.240 6.493 6.402 6.629 . 0 0 "[ . 1]" 1
1100 1 63 ILE H 1 63 ILE HG12 2.380 2.200 2.560 2.422 2.317 2.575 0.015 4 0 "[ . 1]" 1
1101 1 63 ILE HB 1 63 ILE HG12 2.420 2.220 2.610 2.287 2.254 2.316 . 0 0 "[ . 1]" 1
1102 1 63 ILE HB 1 63 ILE HG13 2.450 2.280 2.620 2.417 2.379 2.449 . 0 0 "[ . 1]" 1
1103 1 63 ILE H 1 63 ILE HB 2.620 2.400 2.840 2.407 2.352 2.465 0.048 8 0 "[ . 1]" 1
1104 1 63 ILE HA 1 63 ILE MG 3.050 2.690 3.420 2.576 2.569 2.590 0.121 2 0 "[ . 1]" 1
1105 1 63 ILE H 1 63 ILE HA 3.090 2.690 3.500 2.925 2.905 2.946 . 0 0 "[ . 1]" 1
1106 1 63 ILE MD 1 63 ILE MG 3.150 2.710 3.570 2.528 2.509 2.551 0.201 7 0 "[ . 1]" 1
1107 1 63 ILE HA 1 63 ILE MD 3.160 2.750 3.570 2.583 2.537 2.606 0.213 4 0 "[ . 1]" 1
1108 1 63 ILE HA 1 63 ILE HG12 3.760 2.950 4.580 3.304 3.188 3.398 . 0 0 "[ . 1]" 1
1109 1 63 ILE HG12 1 63 ILE MG 3.990 3.010 4.980 3.308 3.276 3.333 . 0 0 "[ . 1]" 1
1110 1 63 ILE HB 1 63 ILE MD 4.040 3.050 5.030 3.485 3.458 3.504 . 0 0 "[ . 1]" 1
1111 1 63 ILE H 1 63 ILE MD 4.170 3.050 5.300 3.621 3.477 3.749 . 0 0 "[ . 1]" 1
1112 1 63 ILE MG 1 64 PRO HB2 5.630 3.030 8.210 5.513 5.181 5.769 . 0 0 "[ . 1]" 1
1113 1 63 ILE MG 1 67 ALA MB 3.990 3.000 4.980 3.038 2.930 3.283 0.070 6 0 "[ . 1]" 1
1114 1 63 ILE HA 1 67 ALA MB 4.580 3.060 6.100 3.824 3.474 4.285 . 0 0 "[ . 1]" 1
1115 1 63 ILE MG 1 67 ALA H 4.970 3.090 6.860 4.604 4.385 4.854 . 0 0 "[ . 1]" 1
1116 1 63 ILE HG13 1 69 VAL MG1 4.230 3.000 5.440 4.909 4.652 5.366 . 0 0 "[ . 1]" 1
1117 1 63 ILE MD 1 73 MET HA 4.270 3.050 5.510 3.430 3.090 4.054 . 0 0 "[ . 1]" 1
1118 1 63 ILE MD 1 73 MET H 5.270 3.060 7.490 4.454 4.060 5.123 . 0 0 "[ . 1]" 1
1119 1 63 ILE HG13 1 81 PHE QE 2.840 2.560 3.130 2.484 2.421 2.609 0.139 2 0 "[ . 1]" 1
1120 1 63 ILE HG12 1 81 PHE QE 3.850 3.010 4.690 4.059 3.984 4.160 . 0 0 "[ . 1]" 1
1121 1 63 ILE MD 1 81 PHE QE 4.560 3.100 6.020 3.626 3.375 3.817 . 0 0 "[ . 1]" 1
1122 1 63 ILE MD 1 81 PHE HZ 4.700 3.050 6.340 4.646 4.197 5.014 . 0 0 "[ . 1]" 1
1123 1 63 ILE HB 1 81 PHE QE 4.970 3.110 6.830 4.302 3.913 4.575 . 0 0 "[ . 1]" 1
1124 1 64 PRO HB2 1 64 PRO HG2 2.310 2.160 2.460 2.358 2.300 2.416 . 0 0 "[ . 1]" 1
1125 1 64 PRO HD2 1 64 PRO HG2 2.560 2.360 3.520 2.335 2.331 2.340 0.029 10 0 "[ . 1]" 1
1126 1 64 PRO HB2 1 64 PRO HG3 2.570 2.360 2.780 2.677 2.659 2.715 . 0 0 "[ . 1]" 1
1127 1 64 PRO HA 1 64 PRO HB2 2.710 2.470 2.950 2.598 2.518 2.655 . 0 0 "[ . 1]" 1
1128 1 64 PRO HD2 1 64 PRO HG3 3.370 2.360 3.910 2.808 2.767 2.845 . 0 0 "[ . 1]" 1
1129 1 64 PRO HA 1 64 PRO HG3 3.480 2.870 4.100 4.085 4.053 4.107 0.007 2 0 "[ . 1]" 1
1130 1 64 PRO HB2 1 64 PRO HD3 4.400 3.030 5.890 3.999 3.951 4.053 . 0 0 "[ . 1]" 1
1131 1 64 PRO HB2 1 64 PRO HD2 4.530 2.910 6.010 4.043 4.004 4.114 . 0 0 "[ . 1]" 1
1132 1 64 PRO HB3 1 65 GLU HG2 4.620 3.020 6.180 6.087 4.860 6.258 0.078 9 0 "[ . 1]" 1
1133 1 64 PRO HB2 1 66 ASN H 3.850 3.010 4.690 2.957 2.908 2.986 0.102 2 0 "[ . 1]" 1
1134 1 64 PRO HA 1 66 ASN H 4.320 3.040 5.600 4.699 4.578 4.838 . 0 0 "[ . 1]" 1
1135 1 64 PRO HB3 1 66 ASN H 4.380 3.090 5.670 4.616 4.502 4.736 . 0 0 "[ . 1]" 1
1136 1 64 PRO HG2 1 67 ALA MB 2.730 2.470 2.990 2.635 2.432 2.909 0.038 9 0 "[ . 1]" 1
1137 1 64 PRO HG3 1 67 ALA H 3.710 2.970 4.450 4.474 4.452 4.510 0.060 5 0 "[ . 1]" 1
1138 1 64 PRO HG3 1 67 ALA MB 3.940 2.990 4.890 3.414 3.220 3.592 . 0 0 "[ . 1]" 1
1139 1 64 PRO HB2 1 67 ALA H 4.020 3.020 5.040 4.214 3.849 4.484 . 0 0 "[ . 1]" 1
1140 1 64 PRO HD2 1 67 ALA H 4.440 3.100 6.290 3.716 3.270 4.143 . 0 0 "[ . 1]" 1
1141 1 64 PRO HB3 1 67 ALA H 4.520 3.090 5.950 5.387 5.156 5.553 . 0 0 "[ . 1]" 1
1142 1 64 PRO HD3 1 67 ALA H 4.950 2.600 6.790 5.172 4.855 5.442 . 0 0 "[ . 1]" 1
1143 1 64 PRO HB2 1 67 ALA MB 5.460 3.090 7.840 4.588 4.311 4.862 . 0 0 "[ . 1]" 1
1144 1 64 PRO HG3 1 67 ALA HA 6.110 2.980 9.200 5.972 5.716 6.094 . 0 0 "[ . 1]" 1
1145 1 65 GLU HA 1 65 GLU HB3 2.460 2.280 2.650 2.387 2.267 2.684 0.034 5 0 "[ . 1]" 1
1146 1 65 GLU HA 1 65 GLU HB2 2.590 2.380 2.810 2.927 2.628 2.992 0.182 3 0 "[ . 1]" 1
1147 1 65 GLU HB2 1 65 GLU HG2 3.080 2.710 3.450 2.889 2.603 3.014 0.107 7 0 "[ . 1]" 1
1148 1 65 GLU HA 1 66 ASN H 3.270 2.810 3.730 3.517 3.450 3.607 . 0 0 "[ . 1]" 1
1149 1 65 GLU HB2 1 66 ASN H 3.900 3.000 4.810 2.998 2.892 3.552 0.108 3 0 "[ . 1]" 1
1150 1 65 GLU HB3 1 66 ASN H 3.940 3.010 4.870 3.921 3.010 4.288 . 5 0 "[ . 1]" 1
1151 1 65 GLU HA 1 67 ALA H 3.880 3.000 4.770 3.920 3.783 4.157 . 0 0 "[ . 1]" 1
1152 1 66 ASN HA 1 66 ASN HD21 1.990 . 2.100 1.998 1.877 2.249 0.149 2 0 "[ . 1]" 1
1153 1 66 ASN H 1 66 ASN HB2 2.860 2.570 3.390 2.585 2.502 2.662 0.068 2 0 "[ . 1]" 1
1154 1 66 ASN H 1 66 ASN HB3 3.100 2.480 3.480 2.736 2.479 3.587 0.107 2 0 "[ . 1]" 1
1155 1 66 ASN HB2 1 66 ASN HD21 3.210 2.750 4.620 2.982 2.803 3.573 . 0 0 "[ . 1]" 1
1156 1 66 ASN H 1 66 ASN HA 3.540 2.900 4.200 2.885 2.865 2.919 0.035 5 0 "[ . 1]" 1
1157 1 66 ASN HB2 1 66 ASN HD22 3.560 2.920 4.730 3.806 3.720 4.067 . 0 0 "[ . 1]" 1
1158 1 66 ASN HB3 1 66 ASN HD22 4.090 2.510 5.140 3.997 3.461 4.099 . 0 0 "[ . 1]" 1
1159 1 66 ASN HB3 1 66 ASN HD21 4.160 2.080 5.300 3.375 2.235 3.572 . 0 0 "[ . 1]" 1
1160 1 66 ASN H 1 67 ALA H 2.710 2.470 2.950 2.493 2.416 2.689 0.054 4 0 "[ . 1]" 1
1161 1 66 ASN HB2 1 67 ALA H 3.410 2.860 4.450 4.122 3.703 4.330 . 0 0 "[ . 1]" 1
1162 1 66 ASN HA 1 67 ALA H 3.680 2.950 4.410 3.296 3.165 3.370 . 0 0 "[ . 1]" 1
1163 1 66 ASN HB3 1 67 ALA H 3.900 2.520 4.790 3.525 3.156 4.336 . 0 0 "[ . 1]" 1
1164 1 67 ALA H 1 67 ALA MB 3.020 2.680 3.360 2.549 2.515 2.603 0.165 4 0 "[ . 1]" 1
1165 1 67 ALA H 1 67 ALA HA 3.210 2.770 3.650 2.937 2.910 2.969 . 0 0 "[ . 1]" 1
1166 1 67 ALA MB 1 68 ASN H 4.090 3.040 5.140 2.991 2.920 3.029 0.120 6 0 "[ . 1]" 1
1167 1 67 ALA HA 1 68 ASN HD22 4.270 3.070 5.470 5.115 4.678 5.495 0.025 2 0 "[ . 1]" 1
1168 1 67 ALA HA 1 68 ASN HD21 4.430 3.080 5.780 4.356 3.377 5.025 . 0 0 "[ . 1]" 1
1169 1 67 ALA MB 1 68 ASN HD22 5.530 3.000 8.010 6.119 5.861 6.374 . 0 0 "[ . 1]" 1
1170 1 68 ASN HA 1 68 ASN HD21 1.990 . 2.100 2.015 1.880 2.180 0.080 4 0 "[ . 1]" 1
1171 1 68 ASN H 1 68 ASN HB2 2.910 2.610 4.370 2.549 2.514 2.576 0.096 3 0 "[ . 1]" 1
1172 1 68 ASN HB3 1 68 ASN HD21 3.460 2.850 4.920 3.093 2.848 3.422 0.002 2 0 "[ . 1]" 1
1173 1 68 ASN HA 1 68 ASN HD22 3.610 2.940 4.280 3.553 3.478 3.642 . 0 0 "[ . 1]" 1
1174 1 68 ASN HB3 1 68 ASN HD22 3.720 2.970 4.830 3.849 3.726 4.025 . 0 0 "[ . 1]" 1
1175 1 68 ASN H 1 68 ASN HB3 4.070 . 5.100 3.671 3.645 3.698 . 0 0 "[ . 1]" 1
1176 1 68 ASN HB2 1 68 ASN HD22 4.080 2.690 5.110 3.997 3.851 4.066 . 0 0 "[ . 1]" 1
1177 1 68 ASN HB2 1 68 ASN HD21 4.320 2.170 5.600 3.407 3.080 3.551 . 0 0 "[ . 1]" 1
1178 1 68 ASN HB3 1 69 VAL H 3.700 2.970 5.030 2.938 2.887 2.970 0.083 3 0 "[ . 1]" 1
1179 1 68 ASN HB2 1 69 VAL H 4.300 2.480 5.520 4.017 3.912 4.117 . 0 0 "[ . 1]" 1
1180 1 68 ASN HB3 1 71 TYR H 2.760 2.500 3.280 3.280 3.088 3.334 0.054 10 0 "[ . 1]" 1
1181 1 68 ASN HB2 1 71 TYR H 3.020 2.410 3.370 2.958 2.706 3.341 . 0 0 "[ . 1]" 1
1182 1 69 VAL H 1 69 VAL HB 2.700 2.460 2.940 2.512 2.441 2.597 0.019 6 0 "[ . 1]" 1
1183 1 69 VAL H 1 69 VAL HA 2.810 2.550 3.070 2.843 2.809 2.874 . 0 0 "[ . 1]" 1
1184 1 69 VAL H 1 69 VAL MG2 2.850 2.580 3.120 2.509 2.488 2.546 0.092 7 0 "[ . 1]" 1
1185 1 69 VAL HA 1 69 VAL MG1 3.060 2.700 3.420 2.592 2.579 2.602 0.121 5 0 "[ . 1]" 1
1186 1 69 VAL HA 1 69 VAL MG2 3.100 2.720 3.480 2.550 2.524 2.572 0.196 6 0 "[ . 1]" 1
1187 1 69 VAL H 1 69 VAL MG1 4.640 3.080 6.220 3.943 3.900 3.983 . 0 0 "[ . 1]" 1
1188 1 69 VAL HB 1 70 PHE H 2.740 2.490 3.000 2.552 2.485 2.702 0.005 5 0 "[ . 1]" 1
1189 1 69 VAL H 1 70 PHE H 2.770 2.520 3.020 2.615 2.501 2.808 0.019 8 0 "[ . 1]" 1
1190 1 69 VAL HA 1 70 PHE H 3.510 2.910 4.110 3.446 3.420 3.481 . 0 0 "[ . 1]" 1
1191 1 69 VAL MG1 1 70 PHE HA 4.270 3.050 5.500 3.323 3.244 3.466 . 0 0 "[ . 1]" 1
1192 1 69 VAL MG1 1 70 PHE H 4.610 3.100 6.120 3.480 3.325 3.649 . 0 0 "[ . 1]" 1
1193 1 69 VAL MG2 1 70 PHE HB2 4.780 3.040 6.500 5.757 5.525 6.237 . 0 0 "[ . 1]" 1
1194 1 69 VAL HB 1 70 PHE HB2 4.840 3.040 6.620 4.464 4.161 5.029 . 0 0 "[ . 1]" 1
1195 1 69 VAL MG2 1 70 PHE H 5.450 3.090 7.830 4.015 3.943 4.067 . 0 0 "[ . 1]" 1
1196 1 69 VAL MG1 1 70 PHE QD 6.670 3.030 10.330 3.810 3.290 4.421 . 0 0 "[ . 1]" 1
1197 1 69 VAL MG2 1 72 ALA MB 3.840 2.990 4.700 4.397 4.241 4.714 0.014 8 0 "[ . 1]" 1
1198 1 69 VAL MG1 1 73 MET ME 4.080 3.030 5.140 3.585 2.948 4.077 0.082 9 0 "[ . 1]" 1
1199 1 69 VAL MG1 1 73 MET H 5.140 3.090 7.190 3.972 3.765 4.520 . 0 0 "[ . 1]" 1
1200 1 69 VAL MG1 1 73 MET HB2 6.010 3.000 8.980 3.866 3.280 4.735 . 0 0 "[ . 1]" 1
1201 1 69 VAL MG1 1 81 PHE HZ 3.510 2.890 4.140 2.939 2.809 3.483 0.081 6 0 "[ . 1]" 1
1202 1 69 VAL MG1 1 81 PHE QE 4.380 3.090 5.670 3.161 3.065 3.303 0.025 9 0 "[ . 1]" 1
1203 1 69 VAL HA 1 81 PHE HZ 4.700 3.030 6.350 5.235 4.881 5.899 . 0 0 "[ . 1]" 1
1204 1 70 PHE HA 1 70 PHE HB2 2.870 2.580 3.160 2.924 2.875 3.000 . 0 0 "[ . 1]" 1
1205 1 70 PHE H 1 70 PHE HA 3.110 2.720 3.500 2.832 2.777 2.909 . 0 0 "[ . 1]" 1
1206 1 70 PHE HB3 1 70 PHE QD 3.290 2.820 3.760 2.599 2.552 2.720 0.268 8 0 "[ . 1]" 1
1207 1 70 PHE HB2 1 70 PHE QD 3.420 2.880 3.960 2.727 2.660 2.870 0.220 10 0 "[ . 1]" 1
1208 1 70 PHE HA 1 70 PHE QD 3.490 2.900 4.080 2.853 2.792 2.898 0.108 9 0 "[ . 1]" 1
1209 1 70 PHE H 1 70 PHE QD 4.480 3.070 5.890 2.958 2.825 3.052 0.245 2 0 "[ . 1]" 1
1210 1 70 PHE H 1 71 TYR H 2.940 2.630 3.250 2.600 2.496 2.751 0.134 2 0 "[ . 1]" 1
1211 1 70 PHE HB3 1 71 TYR H 3.170 2.750 3.600 3.516 3.200 3.654 0.054 9 0 "[ . 1]" 1
1212 1 70 PHE HA 1 71 TYR H 3.710 2.920 4.490 3.365 3.275 3.432 . 0 0 "[ . 1]" 1
1213 1 70 PHE QD 1 71 TYR HB2 4.610 3.100 6.120 6.290 6.096 6.360 0.240 2 0 "[ . 1]" 1
1214 1 70 PHE QD 1 71 TYR HA 4.970 3.070 6.890 5.688 5.500 6.008 . 0 0 "[ . 1]" 1
1215 1 70 PHE QD 1 71 TYR QE 5.530 2.980 8.010 5.378 3.668 8.028 0.018 6 0 "[ . 1]" 1
1216 1 70 PHE QD 1 71 TYR QD 5.530 3.040 8.010 4.944 3.720 6.425 . 0 0 "[ . 1]" 1
1217 1 70 PHE HB3 1 71 TYR QD 6.010 3.010 9.000 3.389 2.970 4.827 0.040 2 0 "[ . 1]" 1
1218 1 70 PHE QD 1 71 TYR H 6.350 3.050 9.680 4.783 4.349 4.984 . 0 0 "[ . 1]" 1
1219 1 70 PHE H 1 72 ALA H 5.060 3.120 7.000 4.091 3.979 4.350 . 0 0 "[ . 1]" 1
1220 1 70 PHE HA 1 73 MET ME 4.030 3.010 5.050 4.687 3.725 5.071 0.021 1 0 "[ . 1]" 1
1221 1 70 PHE HA 1 73 MET HG3 4.360 3.050 5.760 3.048 2.965 3.465 0.085 7 0 "[ . 1]" 1
1222 1 70 PHE HB2 1 73 MET HG3 4.560 . 6.040 5.760 5.589 5.852 . 0 0 "[ . 1]" 1
1223 1 70 PHE QE 1 73 MET ME 4.900 3.080 6.730 5.444 4.742 6.113 . 0 0 "[ . 1]" 1
1224 1 70 PHE QD 1 73 MET ME 6.130 3.100 9.160 5.311 4.190 5.938 . 0 0 "[ . 1]" 1
1225 1 71 TYR H 1 71 TYR HB2 2.280 2.130 2.430 2.165 2.069 2.421 0.061 2 0 "[ . 1]" 1
1226 1 71 TYR HA 1 71 TYR HB3 2.860 2.560 3.160 2.655 2.527 2.988 0.033 9 0 "[ . 1]" 1
1227 1 71 TYR H 1 71 TYR HA 2.920 2.620 3.220 2.897 2.857 2.915 . 0 0 "[ . 1]" 1
1228 1 71 TYR HB3 1 71 TYR QD 3.280 2.780 3.780 2.622 2.585 2.662 0.195 9 0 "[ . 1]" 1
1229 1 71 TYR HA 1 71 TYR QD 3.630 2.910 4.350 3.096 2.899 3.303 0.011 3 0 "[ . 1]" 1
1230 1 71 TYR HB2 1 71 TYR QD 3.820 2.960 4.680 2.729 2.691 2.806 0.269 3 0 "[ . 1]" 1
1231 1 71 TYR H 1 71 TYR QE 4.710 3.100 6.320 5.058 4.223 6.330 0.010 6 0 "[ . 1]" 1
1232 1 71 TYR HB3 1 72 ALA H 3.290 2.800 3.790 3.503 2.743 3.746 0.057 6 0 "[ . 1]" 1
1233 1 71 TYR H 1 72 ALA MB 5.550 3.100 8.000 4.052 3.953 4.198 . 0 0 "[ . 1]" 1
1234 1 71 TYR QD 1 72 ALA MB 5.630 3.110 8.150 5.445 4.226 5.826 . 0 0 "[ . 1]" 1
1235 1 71 TYR HB2 1 73 MET H 4.220 3.060 5.380 4.979 4.781 5.441 0.061 6 0 "[ . 1]" 1
1236 1 72 ALA H 1 72 ALA HA 2.950 2.640 3.270 2.900 2.859 2.941 . 0 0 "[ . 1]" 1
1237 1 72 ALA H 1 73 MET H 2.640 2.420 2.870 2.422 2.381 2.529 0.039 5 0 "[ . 1]" 1
1238 1 72 ALA HA 1 73 MET H 3.560 2.920 4.200 3.408 3.222 3.486 . 0 0 "[ . 1]" 1
1239 1 72 ALA MB 1 73 MET H 4.530 3.100 5.960 3.113 3.043 3.410 0.057 5 0 "[ . 1]" 1
1240 1 72 ALA H 1 73 MET HG3 4.590 3.050 6.520 4.507 4.382 4.819 . 0 0 "[ . 1]" 1
1241 1 72 ALA H 1 73 MET HG2 4.980 2.680 6.900 5.230 4.328 5.683 . 0 0 "[ . 1]" 1
1242 1 72 ALA H 1 73 MET HB3 5.090 3.120 7.060 4.622 4.245 4.791 . 0 0 "[ . 1]" 1
1243 1 73 MET HB3 1 73 MET HG2 2.210 2.070 2.940 2.318 2.249 2.346 . 0 0 "[ . 1]" 1
1244 1 73 MET HA 1 73 MET HB3 2.410 2.230 2.590 2.416 2.291 2.462 . 0 0 "[ . 1]" 1
1245 1 73 MET HA 1 73 MET HB2 2.420 2.250 2.590 2.393 2.353 2.469 . 0 0 "[ . 1]" 1
1246 1 73 MET H 1 73 MET HB3 2.610 2.400 2.820 2.642 2.551 2.834 0.014 9 0 "[ . 1]" 1
1247 1 73 MET H 1 73 MET HG3 2.770 2.520 3.630 2.483 2.451 2.611 0.069 6 0 "[ . 1]" 1
1248 1 73 MET HB3 1 73 MET HG3 2.800 . 3.060 2.716 2.644 2.925 . 0 0 "[ . 1]" 1
1249 1 73 MET HB2 1 73 MET HG3 2.890 2.580 3.340 2.933 2.727 2.987 . 0 0 "[ . 1]" 1
1250 1 73 MET H 1 73 MET HA 2.940 2.630 3.250 2.857 2.828 2.894 . 0 0 "[ . 1]" 1
1251 1 73 MET HB2 1 73 MET HG2 3.030 2.540 3.390 2.696 2.621 2.924 . 0 0 "[ . 1]" 1
1252 1 73 MET H 1 73 MET HG2 3.380 2.250 3.900 3.406 2.613 3.598 . 0 0 "[ . 1]" 1
1253 1 73 MET H 1 73 MET HB2 3.650 2.930 4.380 3.705 3.662 3.766 . 0 0 "[ . 1]" 1
1254 1 73 MET HA 1 73 MET HG3 3.840 3.000 5.300 3.675 3.613 3.717 . 0 0 "[ . 1]" 1
1255 1 73 MET HA 1 73 MET HG2 4.460 2.460 5.840 4.221 3.924 4.286 . 0 0 "[ . 1]" 1
1256 1 73 MET HB2 1 74 ASN H 2.920 2.620 3.220 2.566 2.533 2.605 0.087 4 0 "[ . 1]" 1
1257 1 73 MET ME 1 74 ASN HD21 3.960 3.020 4.900 3.992 3.179 4.674 . 0 0 "[ . 1]" 1
1258 1 73 MET HG3 1 74 ASN HD21 4.500 3.080 6.380 5.909 5.555 6.359 . 0 0 "[ . 1]" 1
1259 1 73 MET HB3 1 74 ASN H 4.540 3.090 5.990 3.815 3.635 3.887 . 0 0 "[ . 1]" 1
1260 1 73 MET H 1 74 ASN H 4.690 3.020 6.330 4.586 4.523 4.717 . 0 0 "[ . 1]" 1
1261 1 73 MET HG2 1 74 ASN HD21 4.960 2.640 6.820 6.206 5.772 6.568 . 0 0 "[ . 1]" 1
1262 1 73 MET ME 1 74 ASN H 6.000 3.050 8.970 3.471 3.029 4.300 0.021 6 0 "[ . 1]" 1
1263 1 73 MET ME 1 79 TYR QD 3.960 3.030 4.890 3.524 3.025 4.376 0.005 4 0 "[ . 1]" 1
1264 1 73 MET ME 1 79 TYR QE 5.620 3.080 8.160 4.906 3.467 5.865 . 0 0 "[ . 1]" 1
1265 1 73 MET HB3 1 81 PHE HZ 2.770 2.510 3.040 2.748 2.457 3.094 0.054 4 0 "[ . 1]" 1
1266 1 73 MET HB2 1 81 PHE HZ 3.040 2.680 3.400 2.939 2.660 3.432 0.032 9 0 "[ . 1]" 1
1267 1 73 MET ME 1 81 PHE HZ 3.150 2.740 3.570 3.312 2.886 3.617 0.047 3 0 "[ . 1]" 1
1268 1 73 MET HB3 1 81 PHE QE 4.240 3.070 5.410 3.843 3.484 4.141 . 0 0 "[ . 1]" 1
1269 1 73 MET HB2 1 81 PHE QE 5.070 3.070 7.080 3.892 3.584 4.333 . 0 0 "[ . 1]" 1
1270 1 73 MET HG2 1 81 PHE HZ 5.230 3.080 8.120 4.216 3.703 4.754 . 0 0 "[ . 1]" 1
1271 1 73 MET HA 1 81 PHE HZ 5.330 3.070 7.610 4.005 3.799 4.214 . 0 0 "[ . 1]" 1
1272 1 73 MET HG2 1 81 PHE QE 5.440 3.100 8.970 5.185 4.804 5.685 . 0 0 "[ . 1]" 1
1273 1 73 MET HG3 1 81 PHE HZ 5.950 2.330 8.860 5.226 4.877 5.693 . 0 0 "[ . 1]" 1
1274 1 73 MET HG3 1 81 PHE QE 6.630 . 10.200 6.024 5.740 6.388 . 0 0 "[ . 1]" 1
1275 1 74 ASN HB3 1 74 ASN HD22 3.510 2.910 4.110 3.829 3.759 4.033 . 0 0 "[ . 1]" 1
1276 1 74 ASN H 1 74 ASN HB2 3.610 2.930 4.290 3.576 3.501 3.645 . 0 0 "[ . 1]" 1
1277 1 74 ASN HB2 1 74 ASN HD22 3.690 2.950 4.430 4.038 3.751 4.125 . 0 0 "[ . 1]" 1
1278 1 74 ASN HB2 1 74 ASN HD21 3.980 2.990 4.970 3.665 2.978 3.842 0.012 2 0 "[ . 1]" 1
1279 1 74 ASN HB3 1 74 ASN HD21 4.490 3.100 5.880 3.054 2.868 3.616 0.232 6 0 "[ . 1]" 1
1280 1 74 ASN HB2 1 75 SER H 3.210 2.780 3.640 3.406 2.683 3.779 0.139 10 0 "[ . 1]" 1
1281 1 74 ASN HA 1 75 SER H 3.550 2.920 4.180 3.317 2.686 3.591 0.234 6 0 "[ . 1]" 1
1282 1 74 ASN HB3 1 75 SER H 4.770 3.110 6.430 4.097 3.674 4.397 . 0 0 "[ . 1]" 1
1283 1 74 ASN HB2 1 77 ALA MB 4.250 3.020 5.470 4.209 3.036 5.565 0.095 5 0 "[ . 1]" 1
1284 1 74 ASN HD22 1 80 ASP H 3.760 2.970 4.550 3.694 3.366 4.284 . 0 0 "[ . 1]" 1
1285 1 75 SER H 1 75 SER HA 2.780 2.510 3.050 2.504 2.323 2.885 0.187 8 0 "[ . 1]" 1
1286 1 75 SER H 1 75 SER HB3 3.410 2.850 3.980 3.589 3.203 4.075 0.095 1 0 "[ . 1]" 1
1287 1 75 SER HA 1 76 THR H 3.560 2.900 4.220 3.355 2.796 3.572 0.104 4 0 "[ . 1]" 1
1288 1 75 SER H 1 76 THR H 3.880 2.990 4.790 3.690 2.857 4.337 0.133 6 0 "[ . 1]" 1
1289 1 76 THR H 1 76 THR HA 2.930 2.590 3.270 2.754 2.423 2.891 0.167 4 0 "[ . 1]" 1
1290 1 76 THR H 1 76 THR MG 4.220 3.060 5.390 3.681 2.952 3.969 0.108 6 0 "[ . 1]" 1
1291 1 76 THR H 1 77 ALA H 3.190 2.760 3.620 2.845 2.653 3.193 0.107 6 0 "[ . 1]" 1
1292 1 76 THR HA 1 77 ALA H 3.530 2.880 4.180 3.245 2.764 3.570 0.116 6 0 "[ . 1]" 1
1293 1 76 THR MG 1 77 ALA MB 3.730 2.970 4.500 3.736 2.944 4.547 0.047 5 0 "[ . 1]" 1
1294 1 76 THR MG 1 77 ALA H 5.380 3.090 7.680 4.042 3.423 4.347 . 0 0 "[ . 1]" 1
1295 1 77 ALA H 1 77 ALA HA 2.970 2.640 3.300 2.873 2.767 2.927 . 0 0 "[ . 1]" 1
1296 1 77 ALA H 1 77 ALA MB 3.570 2.930 4.210 2.795 2.722 2.856 0.208 7 0 "[ . 1]" 1
1297 1 77 ALA MB 1 78 ASN H 3.330 2.840 3.820 2.869 2.648 3.555 0.192 7 0 "[ . 1]" 1
1298 1 77 ALA H 1 78 ASN H 4.360 3.030 5.690 3.919 2.944 4.509 0.086 1 0 "[ . 1]" 1
1299 1 77 ALA MB 1 78 ASN HB2 5.080 3.050 7.100 4.305 3.437 5.434 . 0 0 "[ . 1]" 1
1300 1 77 ALA MB 1 78 ASN HB3 5.610 3.030 8.170 4.499 3.722 5.101 . 0 0 "[ . 1]" 1
1301 1 78 ASN HB2 1 78 ASN HD22 3.590 2.920 4.270 3.637 3.426 4.019 . 0 0 "[ . 1]" 1
1302 1 78 ASN HB3 1 78 ASN HD22 3.970 3.010 4.930 3.773 3.411 4.050 . 0 0 "[ . 1]" 1
1303 1 78 ASN H 1 78 ASN HD22 4.310 3.080 5.540 5.044 3.546 5.770 0.230 9 0 "[ . 1]" 1
1304 1 78 ASN HA 1 79 TYR H 2.670 2.430 2.920 2.437 2.313 2.720 0.117 6 0 "[ . 1]" 1
1305 1 78 ASN HB3 1 79 TYR H 3.680 2.950 4.410 3.828 2.831 4.350 0.119 2 0 "[ . 1]" 1
1306 1 78 ASN HA 1 79 TYR QD 4.760 3.110 6.410 4.351 3.941 4.955 . 0 0 "[ . 1]" 1
1307 1 79 TYR H 1 79 TYR HB2 3.720 2.960 4.480 3.635 2.923 3.920 0.037 4 0 "[ . 1]" 1
1308 1 79 TYR H 1 79 TYR HB3 3.800 2.990 4.610 3.426 2.968 3.671 0.022 10 0 "[ . 1]" 1
1309 1 79 TYR HB2 1 79 TYR QD 3.870 2.980 4.760 2.826 2.713 2.918 0.267 4 0 "[ . 1]" 1
1310 1 79 TYR H 1 79 TYR QD 4.300 3.080 5.520 3.109 2.981 3.428 0.099 5 0 "[ . 1]" 1
1311 1 79 TYR HA 1 79 TYR QD 4.300 3.020 5.560 3.843 3.026 4.002 . 0 0 "[ . 1]" 1
1312 1 79 TYR HB3 1 79 TYR QD 4.750 3.060 6.440 2.755 2.730 2.850 0.330 9 0 "[ . 1]" 1
1313 1 79 TYR QD 1 80 ASP HB2 4.820 3.080 6.580 5.473 4.397 6.608 0.028 4 0 "[ . 1]" 1
1314 1 79 TYR QD 1 80 ASP H 5.360 3.100 7.630 4.729 4.240 5.090 . 0 0 "[ . 1]" 1
1315 1 79 TYR QE 1 80 ASP HA 5.690 3.050 8.330 6.086 5.272 7.888 . 0 0 "[ . 1]" 1
1316 1 79 TYR HB2 1 81 PHE QE 3.560 2.930 4.190 2.841 2.787 2.891 0.143 3 0 "[ . 1]" 1
1317 1 79 TYR HB3 1 81 PHE QE 4.700 3.050 6.350 3.857 3.031 4.349 0.019 4 0 "[ . 1]" 1
1318 1 80 ASP HA 1 80 ASP HB2 3.000 2.670 3.330 2.762 2.583 3.078 0.087 7 0 "[ . 1]" 1
1319 1 80 ASP HA 1 80 ASP HB3 3.010 2.670 3.350 2.912 2.596 3.078 0.074 2 0 "[ . 1]" 1
1320 1 80 ASP H 1 80 ASP HB2 3.220 2.770 3.680 2.832 2.644 3.150 0.126 8 0 "[ . 1]" 1
1321 1 80 ASP H 1 80 ASP HA 3.220 2.780 3.660 2.959 2.937 2.978 . 0 0 "[ . 1]" 1
1322 1 80 ASP H 1 80 ASP HB3 3.420 2.870 3.970 3.097 2.737 3.777 0.133 7 0 "[ . 1]" 1
1323 1 80 ASP HA 1 81 PHE H 2.340 2.180 2.500 2.232 2.160 2.276 0.020 7 0 "[ . 1]" 1
1324 1 80 ASP HA 1 81 PHE QD 3.960 3.020 4.900 3.085 2.973 3.337 0.047 2 0 "[ . 1]" 1
1325 1 80 ASP HB2 1 81 PHE H 3.960 3.020 4.900 4.191 4.103 4.270 . 0 0 "[ . 1]" 1
1326 1 80 ASP HB3 1 81 PHE H 4.240 3.060 5.430 3.557 3.022 4.176 0.038 3 0 "[ . 1]" 1
1327 1 80 ASP H 1 81 PHE QE 4.290 3.070 5.510 4.755 4.349 4.907 . 0 0 "[ . 1]" 1
1328 1 80 ASP HA 1 81 PHE QE 5.480 3.070 7.910 4.676 4.374 5.176 . 0 0 "[ . 1]" 1
1329 1 81 PHE HA 1 81 PHE HB3 2.640 2.420 2.860 2.495 2.414 2.564 0.006 4 0 "[ . 1]" 1
1330 1 81 PHE H 1 81 PHE HB2 2.720 2.480 2.960 2.766 2.582 2.901 . 0 0 "[ . 1]" 1
1331 1 81 PHE HB2 1 81 PHE QD 2.910 2.610 3.210 2.613 2.557 2.712 0.053 10 0 "[ . 1]" 1
1332 1 81 PHE HA 1 81 PHE HB2 3.050 2.690 3.410 3.035 3.013 3.051 . 0 0 "[ . 1]" 1
1333 1 81 PHE H 1 81 PHE HA 3.200 2.770 3.630 2.902 2.887 2.911 . 0 0 "[ . 1]" 1
1334 1 81 PHE H 1 81 PHE QD 3.530 2.910 4.150 2.833 2.807 2.867 0.103 3 0 "[ . 1]" 1
1335 1 81 PHE HA 1 81 PHE QD 3.670 2.960 4.380 3.254 3.207 3.335 . 0 0 "[ . 1]" 1
1336 1 81 PHE H 1 81 PHE HB3 3.800 2.990 4.610 3.822 3.736 3.893 . 0 0 "[ . 1]" 1
1337 1 81 PHE H 1 81 PHE QE 5.770 3.020 8.500 5.026 4.932 5.134 . 0 0 "[ . 1]" 1
1338 1 81 PHE HA 1 82 VAL H 2.370 2.210 2.530 2.174 2.147 2.201 0.063 10 0 "[ . 1]" 1
1339 1 81 PHE HB3 1 82 VAL H 2.820 2.540 3.100 2.909 2.656 3.059 . 0 0 "[ . 1]" 1
1340 1 81 PHE HA 1 82 VAL MG2 4.570 3.100 6.040 3.578 3.274 3.749 . 0 0 "[ . 1]" 1
1341 1 81 PHE QD 1 82 VAL H 4.680 3.100 6.260 4.313 4.132 4.458 . 0 0 "[ . 1]" 1
1342 1 81 PHE HB2 1 82 VAL MG1 5.140 3.060 7.220 6.481 6.348 6.585 . 0 0 "[ . 1]" 1
1343 1 81 PHE QD 1 82 VAL HA 5.490 3.090 7.910 6.019 5.936 6.079 . 0 0 "[ . 1]" 1
1344 1 81 PHE HB2 1 82 VAL H 5.650 3.040 8.250 3.939 3.711 4.074 . 0 0 "[ . 1]" 1
1345 1 81 PHE HB3 1 82 VAL MG2 5.730 3.010 8.410 4.935 4.764 5.069 . 0 0 "[ . 1]" 1
1346 1 82 VAL H 1 82 VAL HA 3.030 2.680 3.380 2.936 2.916 2.949 . 0 0 "[ . 1]" 1
1347 1 82 VAL HA 1 82 VAL MG1 3.030 2.680 3.380 2.669 2.631 2.717 0.049 7 0 "[ . 1]" 1
1348 1 82 VAL H 1 82 VAL MG2 3.330 2.840 3.820 2.919 2.837 3.032 0.003 9 0 "[ . 1]" 1
1349 1 82 VAL H 1 82 VAL MG1 4.120 3.050 5.190 3.858 3.761 3.929 . 0 0 "[ . 1]" 1
1350 1 82 VAL HB 1 83 LEU H 3.720 2.950 4.510 4.240 4.141 4.326 . 0 0 "[ . 1]" 1
1351 1 82 VAL MG1 1 83 LEU H 3.810 2.990 4.630 2.789 2.740 2.847 0.250 4 0 "[ . 1]" 1
1352 1 82 VAL H 1 83 LEU H 4.880 3.080 6.700 4.339 4.281 4.411 . 0 0 "[ . 1]" 1
1353 1 82 VAL H 1 83 LEU HB3 5.020 3.040 6.980 6.037 5.829 6.302 . 0 0 "[ . 1]" 1
1354 1 83 LEU HA 1 83 LEU HB2 2.420 2.250 2.590 2.324 2.264 2.417 . 0 0 "[ . 1]" 1
1355 1 83 LEU HA 1 83 LEU HB3 3.020 2.670 3.370 2.977 2.850 3.121 . 0 0 "[ . 1]" 1
1356 1 83 LEU MD1 1 83 LEU MD2 3.370 2.850 3.890 2.408 2.392 2.420 0.458 5 0 "[ . 1]" 1
1357 1 83 LEU HB3 1 83 LEU MD1 3.930 3.010 4.850 2.842 2.705 3.000 0.305 6 0 "[ . 1]" 1
1358 1 83 LEU HA 1 83 LEU MD2 4.030 3.030 5.040 3.905 3.770 4.069 . 0 0 "[ . 1]" 1
1359 1 83 LEU H 1 83 LEU HG 4.150 3.020 5.280 4.314 4.202 4.390 . 0 0 "[ . 1]" 1
1360 1 83 LEU HA 1 83 LEU MD1 4.330 3.070 5.590 3.676 2.961 4.258 0.109 1 0 "[ . 1]" 1
1361 1 83 LEU H 1 83 LEU MD1 5.540 3.090 8.000 4.578 4.392 4.696 . 0 0 "[ . 1]" 1
1362 1 83 LEU H 1 83 LEU MD2 6.270 3.040 9.520 3.387 2.918 4.016 0.122 4 0 "[ . 1]" 1
1363 1 83 LEU HA 1 84 LYS H 2.220 2.080 2.360 2.196 2.095 2.247 . 0 0 "[ . 1]" 1
1364 1 83 LEU HB3 1 84 LYS H 3.790 2.980 4.600 4.505 4.302 4.643 0.043 2 0 "[ . 1]" 1
1365 1 83 LEU MD2 1 84 LYS H 3.860 3.000 4.720 4.302 3.958 4.678 . 0 0 "[ . 1]" 1
1366 1 83 LEU MD1 1 84 LYS H 5.440 3.100 7.780 4.338 3.549 4.800 . 0 0 "[ . 1]" 1
1367 1 83 LEU MD1 1 84 LYS HB2 5.500 3.050 7.950 6.618 5.853 6.996 . 0 0 "[ . 1]" 1
1368 1 83 LEU MD2 1 85 LYS H 6.480 2.970 9.950 5.256 4.796 5.827 . 0 0 "[ . 1]" 1
1369 1 84 LYS HB2 1 84 LYS HG3 2.280 2.130 3.120 2.751 2.447 2.999 . 0 0 "[ . 1]" 1
1370 1 84 LYS H 1 84 LYS HB2 2.600 2.370 2.840 3.029 2.559 3.238 0.398 9 0 "[ . 1]" 1
1371 1 84 LYS H 1 84 LYS HA 2.950 2.640 3.260 2.897 2.825 3.007 . 0 0 "[ . 1]" 1
1372 1 84 LYS HB2 1 84 LYS HG2 2.970 . 3.290 2.774 2.595 3.067 . 0 0 "[ . 1]" 1
1373 1 84 LYS HE3 1 84 LYS HG2 3.020 2.670 4.580 3.736 3.619 3.784 . 0 0 "[ . 1]" 1
1374 1 84 LYS HE2 1 84 LYS HG2 3.660 2.310 4.940 2.644 2.585 2.729 . 0 0 "[ . 1]" 1
1375 1 84 LYS HE3 1 84 LYS HG3 3.760 2.230 5.020 4.260 4.228 4.290 . 0 0 "[ . 1]" 1
1376 1 84 LYS HE2 1 84 LYS HG3 4.230 . 5.400 3.784 3.745 3.823 . 0 0 "[ . 1]" 1
1377 1 84 LYS HB2 1 84 LYS HE3 4.500 3.070 6.310 3.763 3.567 4.268 . 0 0 "[ . 1]" 1
1378 1 84 LYS HB2 1 84 LYS HE2 4.860 2.730 6.650 3.471 3.234 3.799 . 0 0 "[ . 1]" 1
1379 1 84 LYS HB3 1 84 LYS HE3 5.280 3.120 7.750 4.657 3.902 5.018 . 0 0 "[ . 1]" 1
1380 1 84 LYS HB3 1 84 LYS HE2 5.590 2.800 8.070 3.779 2.760 4.675 0.040 6 0 "[ . 1]" 1
1381 1 84 LYS HE3 1 86 ARG HD3 4.070 2.960 6.420 5.269 3.070 6.443 0.023 4 0 "[ . 1]" 1
1382 1 84 LYS HE3 1 86 ARG HD2 4.480 2.590 6.790 4.880 3.380 6.704 . 0 0 "[ . 1]" 1
1383 1 84 LYS HE2 1 86 ARG HD3 4.680 2.390 6.980 6.382 4.474 7.081 0.101 2 0 "[ . 1]" 1
1384 1 84 LYS HE2 1 86 ARG HD2 5.360 . 7.650 6.022 4.982 7.400 . 0 0 "[ . 1]" 1
1385 1 85 LYS HD3 1 85 LYS HG2 2.440 2.260 2.620 2.439 2.328 2.498 . 0 0 "[ . 1]" 1
1386 1 85 LYS HA 1 85 LYS HB2 2.590 2.380 2.800 2.579 2.434 2.807 0.007 5 0 "[ . 1]" 1
1387 1 85 LYS HA 1 85 LYS HG3 2.670 2.420 2.920 2.549 2.379 2.699 0.041 5 0 "[ . 1]" 1
1388 1 85 LYS HA 1 85 LYS HB3 2.870 2.570 3.180 2.996 2.914 3.022 . 0 0 "[ . 1]" 1
1389 1 85 LYS HD2 1 85 LYS HE3 2.900 2.580 3.770 2.721 2.495 3.049 0.085 8 0 "[ . 1]" 1
1390 1 85 LYS H 1 85 LYS HA 2.930 2.620 3.240 2.912 2.881 2.951 . 0 0 "[ . 1]" 1
1391 1 85 LYS HA 1 85 LYS HG2 3.030 2.650 3.400 3.045 2.754 3.332 . 0 0 "[ . 1]" 1
1392 1 85 LYS HE3 1 85 LYS HG2 3.100 2.710 4.420 3.430 2.642 4.314 0.068 1 0 "[ . 1]" 1
1393 1 85 LYS HD2 1 85 LYS HE2 3.450 2.310 4.050 2.545 2.440 3.071 . 0 0 "[ . 1]" 1
1394 1 85 LYS HE2 1 85 LYS HG3 3.530 2.900 4.760 3.215 2.785 3.808 0.115 5 0 "[ . 1]" 1
1395 1 85 LYS HE2 1 85 LYS HG2 4.010 2.100 5.020 3.645 3.238 3.845 . 0 0 "[ . 1]" 1
1396 1 85 LYS HE3 1 85 LYS HG3 4.120 2.440 5.210 3.459 2.967 3.857 . 0 0 "[ . 1]" 1
1397 1 85 LYS HA 1 85 LYS HD2 4.500 3.020 5.960 4.446 4.280 4.721 . 0 0 "[ . 1]" 1
1398 1 85 LYS H 1 85 LYS HG2 4.590 3.070 6.130 4.446 4.295 4.600 . 0 0 "[ . 1]" 1
1399 1 85 LYS HA 1 86 ARG H 2.140 2.010 2.270 2.163 2.008 2.261 0.002 6 0 "[ . 1]" 1
1400 1 85 LYS HG3 1 86 ARG H 3.680 2.960 4.410 3.366 2.958 3.768 0.002 10 0 "[ . 1]" 1
1401 1 85 LYS HA 1 86 ARG HA 4.350 3.060 5.640 4.377 4.286 4.459 . 0 0 "[ . 1]" 1
1402 1 85 LYS HB2 1 86 ARG H 4.400 3.060 5.760 4.332 4.223 4.492 . 0 0 "[ . 1]" 1
1403 1 85 LYS H 1 86 ARG H 4.690 3.110 6.270 4.445 4.216 4.578 . 0 0 "[ . 1]" 1
1404 1 85 LYS HB2 1 86 ARG HA 4.810 3.030 6.570 5.780 5.630 5.902 . 0 0 "[ . 1]" 1
1405 1 85 LYS HB2 1 87 THR H 4.500 3.060 5.960 5.267 4.145 5.991 0.031 9 0 "[ . 1]" 1
1406 1 85 LYS HA 1 87 THR H 5.290 3.030 7.530 4.181 3.578 5.279 . 0 0 "[ . 1]" 1
1407 1 86 ARG HB3 1 86 ARG HE 2.370 2.210 2.530 2.410 2.121 2.564 0.089 2 0 "[ . 1]" 1
1408 1 86 ARG HA 1 86 ARG HG2 2.410 2.230 2.590 2.371 2.220 2.536 0.010 4 0 "[ . 1]" 1
1409 1 86 ARG H 1 86 ARG HG3 2.570 2.360 2.790 2.665 2.339 2.934 0.144 1 0 "[ . 1]" 1
1410 1 86 ARG H 1 86 ARG HA 2.780 2.530 3.030 2.911 2.843 2.941 . 0 0 "[ . 1]" 1
1411 1 86 ARG H 1 86 ARG HB2 2.890 2.590 3.190 2.565 2.512 2.637 0.078 4 0 "[ . 1]" 1
1412 1 86 ARG H 1 86 ARG HG2 2.900 2.600 3.200 3.274 3.205 3.335 0.135 2 0 "[ . 1]" 1
1413 1 86 ARG HD3 1 86 ARG HG2 2.920 2.540 3.240 2.771 2.530 3.114 0.010 10 0 "[ . 1]" 1
1414 1 86 ARG HA 1 86 ARG HB2 2.980 2.650 3.310 3.016 2.991 3.044 . 0 0 "[ . 1]" 1
1415 1 86 ARG HD3 1 86 ARG HE 2.980 2.650 3.790 2.852 2.646 2.933 0.004 1 0 "[ . 1]" 1
1416 1 86 ARG HD2 1 86 ARG HG3 3.030 2.560 3.380 2.828 2.519 3.037 0.041 6 0 "[ . 1]" 1
1417 1 86 ARG HD2 1 86 ARG HE 3.460 2.400 4.040 2.671 2.484 2.864 . 0 0 "[ . 1]" 1
1418 1 86 ARG HA 1 86 ARG HG3 3.630 2.950 4.310 3.368 3.068 3.482 . 0 0 "[ . 1]" 1
1419 1 86 ARG HB2 1 86 ARG HD3 3.700 2.960 4.510 3.394 2.850 3.849 0.110 2 0 "[ . 1]" 1
1420 1 86 ARG HB2 1 86 ARG HD2 3.770 2.910 4.560 3.545 3.205 3.909 . 0 0 "[ . 1]" 1
1421 1 86 ARG HA 1 86 ARG HD2 4.720 3.080 7.320 4.182 3.554 4.701 . 0 0 "[ . 1]" 1
1422 1 86 ARG H 1 86 ARG HD3 5.120 3.060 7.340 4.911 4.338 5.215 . 0 0 "[ . 1]" 1
1423 1 86 ARG H 1 86 ARG HD2 5.280 2.900 7.500 5.082 4.830 5.223 . 0 0 "[ . 1]" 1
1424 1 86 ARG HA 1 86 ARG HD3 5.660 2.130 8.270 4.697 4.467 4.892 . 0 0 "[ . 1]" 1
1425 1 86 ARG HG2 1 87 THR H 4.580 3.080 6.090 4.561 4.230 4.908 . 0 0 "[ . 1]" 1
1426 1 86 ARG HB2 1 87 THR HB 4.800 3.020 6.550 5.374 4.000 6.454 . 0 0 "[ . 1]" 1
1427 1 86 ARG HB2 1 87 THR MG 5.080 3.040 7.100 5.049 3.384 6.280 . 0 0 "[ . 1]" 1
1428 1 87 THR H 1 87 THR HA 2.280 2.130 2.430 2.381 2.142 2.717 0.287 7 0 "[ . 1]" 1
1429 1 87 THR HA 1 87 THR HB 2.770 2.460 3.040 2.800 2.500 3.069 0.029 7 0 "[ . 1]" 1
1430 1 87 THR HA 1 87 THR MG 3.390 2.850 3.930 2.737 2.583 3.310 0.267 10 0 "[ . 1]" 1
1431 1 87 THR H 1 87 THR HB 3.680 2.940 4.430 3.600 2.844 4.149 0.096 7 0 "[ . 1]" 1
1432 1 87 THR H 1 87 THR MG 4.070 3.040 5.100 3.616 2.961 4.233 0.079 2 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 39.043
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0242
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0507
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 3 CYS 0.000 0.000 . 0 "[ . 1]"
1 5 ILE 0.000 0.000 . 0 "[ . 1]"
1 6 ARG 0.269 0.056 3 0 "[ . 1]"
1 7 VAL 0.478 0.096 7 0 "[ . 1]"
1 8 SER 0.687 0.139 10 0 "[ . 1]"
1 18 LYS 0.478 0.096 7 0 "[ . 1]"
1 20 ILE 0.000 0.000 . 0 "[ . 1]"
1 22 VAL 0.000 0.000 . 0 "[ . 1]"
1 27 LYS 0.038 0.023 5 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 PRO 0.109 0.043 10 0 "[ . 1]"
1 30 ALA 0.000 0.000 . 0 "[ . 1]"
1 31 VAL 0.038 0.023 5 0 "[ . 1]"
1 32 ILE 0.483 0.116 3 0 "[ . 1]"
1 33 ARG 0.109 0.043 10 0 "[ . 1]"
1 34 LYS 0.000 0.000 . 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 36 MET 0.483 0.116 3 0 "[ . 1]"
1 37 ASP 0.000 0.000 . 0 "[ . 1]"
1 38 LYS 0.000 0.000 . 0 "[ . 1]"
1 50 GLU 0.001 0.001 2 0 "[ . 1]"
1 52 LEU 0.000 0.000 . 0 "[ . 1]"
1 53 GLN 0.000 0.000 . 0 "[ . 1]"
1 54 ILE 1.839 0.181 7 0 "[ . 1]"
1 61 LEU 0.000 0.000 . 0 "[ . 1]"
1 79 TYR 0.164 0.056 3 0 "[ . 1]"
1 80 ASP 1.839 0.181 7 0 "[ . 1]"
1 81 PHE 0.106 0.043 5 0 "[ . 1]"
1 82 VAL 0.000 0.000 . 0 "[ . 1]"
1 83 LEU 0.686 0.139 10 0 "[ . 1]"
1 84 LYS 0.001 0.001 2 0 "[ . 1]"
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 27 LYS O 1 31 VAL H 1.900 . 2.300 2.050 1.935 2.323 0.023 5 0 "[ . 1]" 2
2 1 27 LYS O 1 31 VAL N 2.900 2.300 3.200 2.943 2.834 3.215 0.015 5 0 "[ . 1]" 2
3 1 28 ALA O 1 32 ILE H 1.900 . 2.300 1.857 1.773 1.909 . 0 0 "[ . 1]" 2
4 1 28 ALA O 1 32 ILE N 2.900 2.300 3.200 2.750 2.657 2.809 . 0 0 "[ . 1]" 2
5 1 29 PRO O 1 33 ARG H 1.900 . 2.300 2.216 2.112 2.318 0.018 10 0 "[ . 1]" 2
6 1 29 PRO O 1 33 ARG N 2.900 2.300 3.200 3.152 3.037 3.243 0.043 10 0 "[ . 1]" 2
7 1 30 ALA O 1 34 LYS H 1.900 . 2.300 1.789 1.699 1.936 . 0 0 "[ . 1]" 2
8 1 30 ALA O 1 34 LYS N 2.900 2.300 3.200 2.721 2.642 2.857 . 0 0 "[ . 1]" 2
9 1 31 VAL O 1 35 ALA H 1.900 . 2.300 1.837 1.718 1.916 . 0 0 "[ . 1]" 2
10 1 31 VAL O 1 35 ALA N 2.900 2.300 3.200 2.782 2.666 2.836 . 0 0 "[ . 1]" 2
11 1 32 ILE O 1 36 MET H 1.900 . 2.300 2.271 2.140 2.363 0.063 3 0 "[ . 1]" 2
12 1 32 ILE O 1 36 MET N 2.900 2.300 3.200 3.212 3.078 3.316 0.116 3 0 "[ . 1]" 2
13 1 33 ARG O 1 37 ASP H 1.900 . 2.300 1.753 1.656 1.993 . 0 0 "[ . 1]" 2
14 1 33 ARG O 1 37 ASP N 2.900 2.300 3.200 2.678 2.619 2.850 . 0 0 "[ . 1]" 2
15 1 34 LYS O 1 38 LYS H 1.900 . 2.300 1.959 1.844 2.054 . 0 0 "[ . 1]" 2
16 1 34 LYS O 1 38 LYS N 2.900 2.300 3.200 2.809 2.744 2.867 . 0 0 "[ . 1]" 2
17 1 3 CYS O 1 22 VAL H 1.900 . 2.300 1.903 1.810 2.019 . 0 0 "[ . 1]" 2
18 1 3 CYS O 1 22 VAL N 2.900 2.300 3.200 2.851 2.781 2.972 . 0 0 "[ . 1]" 2
19 1 5 ILE H 1 20 ILE O 1.900 . 2.300 1.973 1.835 2.273 . 0 0 "[ . 1]" 2
20 1 5 ILE N 1 20 ILE O 2.900 2.300 3.200 2.932 2.772 3.197 . 0 0 "[ . 1]" 2
21 1 5 ILE O 1 20 ILE H 1.900 . 2.300 2.006 1.817 2.241 . 0 0 "[ . 1]" 2
22 1 5 ILE O 1 20 ILE N 2.900 2.300 3.200 2.932 2.773 3.123 . 0 0 "[ . 1]" 2
23 1 7 VAL H 1 18 LYS O 1.900 . 2.300 1.902 1.803 1.961 . 0 0 "[ . 1]" 2
24 1 7 VAL N 1 18 LYS O 2.900 2.300 3.200 2.776 2.751 2.817 . 0 0 "[ . 1]" 2
25 1 7 VAL O 1 18 LYS H 1.900 . 2.300 2.273 2.191 2.354 0.054 5 0 "[ . 1]" 2
26 1 7 VAL O 1 18 LYS N 2.900 2.300 3.200 3.208 3.081 3.296 0.096 7 0 "[ . 1]" 2
27 1 6 ARG H 1 79 TYR O 1.900 . 2.300 2.237 2.038 2.356 0.056 3 0 "[ . 1]" 2
28 1 6 ARG N 1 79 TYR O 2.900 2.300 3.200 3.124 2.917 3.222 0.022 7 0 "[ . 1]" 2
29 1 6 ARG O 1 81 PHE H 1.900 . 2.300 2.228 1.963 2.343 0.043 5 0 "[ . 1]" 2
30 1 6 ARG O 1 81 PHE N 2.900 2.300 3.200 2.924 2.798 3.009 . 0 0 "[ . 1]" 2
31 1 8 SER H 1 81 PHE O 1.900 . 2.300 1.905 1.722 2.301 0.001 3 0 "[ . 1]" 2
32 1 8 SER N 1 81 PHE O 2.900 2.300 3.200 2.796 2.684 3.085 . 0 0 "[ . 1]" 2
33 1 8 SER O 1 83 LEU H 1.900 . 2.300 2.266 1.984 2.439 0.139 10 0 "[ . 1]" 2
34 1 8 SER O 1 83 LEU N 2.900 2.300 3.200 3.151 2.936 3.276 0.076 10 0 "[ . 1]" 2
35 1 54 ILE O 1 80 ASP H 1.900 . 2.300 2.411 2.366 2.481 0.181 7 0 "[ . 1]" 2
36 1 54 ILE O 1 80 ASP N 2.900 2.300 3.200 3.273 3.239 3.320 0.120 6 0 "[ . 1]" 2
37 1 54 ILE H 1 80 ASP O 1.900 . 2.300 1.764 1.715 1.816 . 0 0 "[ . 1]" 2
38 1 54 ILE N 1 80 ASP O 2.900 2.300 3.200 2.726 2.671 2.776 . 0 0 "[ . 1]" 2
39 1 52 LEU O 1 82 VAL H 1.900 . 2.300 1.856 1.730 1.966 . 0 0 "[ . 1]" 2
40 1 52 LEU O 1 82 VAL N 2.900 2.300 3.200 2.779 2.677 2.867 . 0 0 "[ . 1]" 2
41 1 52 LEU H 1 82 VAL O 1.900 . 2.300 1.779 1.682 1.833 . 0 0 "[ . 1]" 2
42 1 52 LEU N 1 82 VAL O 2.900 2.300 3.200 2.724 2.662 2.778 . 0 0 "[ . 1]" 2
43 1 50 GLU O 1 84 LYS H 1.900 . 2.300 1.944 1.757 2.178 . 0 0 "[ . 1]" 2
44 1 50 GLU O 1 84 LYS N 2.900 2.300 3.200 2.864 2.714 3.044 . 0 0 "[ . 1]" 2
45 1 50 GLU H 1 84 LYS O 1.900 . 2.300 1.973 1.796 2.301 0.001 2 0 "[ . 1]" 2
46 1 50 GLU N 1 84 LYS O 2.900 2.300 3.200 2.872 2.738 3.137 . 0 0 "[ . 1]" 2
47 1 53 GLN O 1 61 LEU H 1.900 . 2.300 1.870 1.720 2.053 . 0 0 "[ . 1]" 2
48 1 53 GLN O 1 61 LEU N 2.900 2.300 3.200 2.824 2.692 3.012 . 0 0 "[ . 1]" 2
49 1 53 GLN H 1 61 LEU O 1.900 . 2.300 1.710 1.629 1.863 . 0 0 "[ . 1]" 2
50 1 53 GLN N 1 61 LEU O 2.900 2.300 3.200 2.616 2.574 2.648 . 0 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:13:26 AM GMT (wattos1)