NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
387026 |
1m3c   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1m3c
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 640
_Distance_constraint_stats_list.Viol_count 1185
_Distance_constraint_stats_list.Viol_total 2415.709
_Distance_constraint_stats_list.Viol_max 0.495
_Distance_constraint_stats_list.Viol_rms 0.0383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0094
_Distance_constraint_stats_list.Viol_average_violations_only 0.1019
_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 CYS 3.351 0.179 16 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 6.572 0.495 12 0 "[ . 1 . 2]"
1 5 TYR 4.648 0.325 1 0 "[ . 1 . 2]"
1 6 VAL 0.237 0.056 17 0 "[ . 1 . 2]"
1 7 ARG 10.570 0.361 1 0 "[ . 1 . 2]"
1 8 ALA 8.478 0.343 19 0 "[ . 1 . 2]"
1 9 LEU 2.005 0.256 11 0 "[ . 1 . 2]"
1 10 PHE 2.832 0.255 2 0 "[ . 1 . 2]"
1 11 ASP 3.625 0.255 2 0 "[ . 1 . 2]"
1 12 PHE 14.745 0.405 9 0 "[ . 1 . 2]"
1 13 ASN 4.799 0.259 16 0 "[ . 1 . 2]"
1 15 ASN 0.528 0.104 8 0 "[ . 1 . 2]"
1 16 ASP 0.752 0.104 8 0 "[ . 1 . 2]"
1 17 GLU 0.809 0.183 9 0 "[ . 1 . 2]"
1 18 GLU 1.734 0.172 9 0 "[ . 1 . 2]"
1 19 ASP 2.055 0.183 9 0 "[ . 1 . 2]"
1 20 LEU 0.439 0.130 6 0 "[ . 1 . 2]"
1 21 PRO 2.028 0.208 17 0 "[ . 1 . 2]"
1 22 PHE 7.746 0.405 9 0 "[ . 1 . 2]"
1 23 LYS 10.035 0.358 9 0 "[ . 1 . 2]"
1 24 LYS 0.156 0.075 15 0 "[ . 1 . 2]"
1 25 GLY 14.153 0.343 19 0 "[ . 1 . 2]"
1 26 ASP 13.516 0.301 14 0 "[ . 1 . 2]"
1 27 ILE 4.103 0.347 19 0 "[ . 1 . 2]"
1 28 LEU 6.244 0.347 19 0 "[ . 1 . 2]"
1 29 ARG 3.361 0.224 11 0 "[ . 1 . 2]"
1 30 ILE 9.180 0.495 12 0 "[ . 1 . 2]"
1 31 ARG 0.375 0.097 19 0 "[ . 1 . 2]"
1 32 ASP 1.287 0.132 9 0 "[ . 1 . 2]"
1 33 LYS 0.142 0.099 19 0 "[ . 1 . 2]"
1 34 PRO 1.126 0.283 20 0 "[ . 1 . 2]"
1 35 GLU 1.659 0.283 20 0 "[ . 1 . 2]"
1 36 GLU 0.247 0.050 20 0 "[ . 1 . 2]"
1 37 GLN 0.142 0.057 20 0 "[ . 1 . 2]"
1 38 TRP 0.510 0.206 18 0 "[ . 1 . 2]"
1 39 TRP 2.548 0.395 18 0 "[ . 1 . 2]"
1 40 ASN 4.513 0.289 14 0 "[ . 1 . 2]"
1 41 ALA 1.057 0.123 1 0 "[ . 1 . 2]"
1 42 GLU 5.199 0.224 11 0 "[ . 1 . 2]"
1 43 ASP 7.037 0.300 17 0 "[ . 1 . 2]"
1 44 SER 1.311 0.234 6 0 "[ . 1 . 2]"
1 45 GLU 5.615 0.322 4 0 "[ . 1 . 2]"
1 46 GLY 8.935 0.322 4 0 "[ . 1 . 2]"
1 47 LYS 5.064 0.256 7 0 "[ . 1 . 2]"
1 48 ARG 7.077 0.256 7 0 "[ . 1 . 2]"
1 49 GLY 1.359 0.220 11 0 "[ . 1 . 2]"
1 50 MET 8.197 0.395 18 0 "[ . 1 . 2]"
1 51 ILE 2.360 0.327 17 0 "[ . 1 . 2]"
1 52 PRO 0.500 0.115 7 0 "[ . 1 . 2]"
1 53 VAL 0.246 0.062 1 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 2.989 0.177 14 0 "[ . 1 . 2]"
1 56 VAL 1.891 0.183 19 0 "[ . 1 . 2]"
1 57 GLU 15.996 0.361 1 0 "[ . 1 . 2]"
1 58 LYS 4.728 0.302 8 0 "[ . 1 . 2]"
1 59 TYR 0.924 0.146 7 0 "[ . 1 . 2]"
1 60 GLY 3.351 0.179 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 CYS N 1 60 GLY C . . 1.330 1.498 1.487 1.509 0.179 16 0 "[ . 1 . 2]" 1
2 1 3 ALA MB 1 4 GLU H . . 7.840 2.334 1.791 3.792 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA MB 1 4 GLU HA . . 6.230 4.210 3.762 5.065 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA MB 1 29 ARG HG2 . . 6.100 4.815 4.160 5.123 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA MB 1 29 ARG HG3 . . 6.050 4.884 4.691 5.048 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 4 GLU HA . . 3.000 2.696 2.172 2.919 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLU H 1 4 GLU HG3 . . 5.160 3.629 2.143 4.542 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLU H 1 5 TYR H . . 3.230 3.139 2.410 3.395 0.165 8 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 29 ARG HG2 . . 5.620 4.566 3.580 5.709 0.089 4 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 30 ILE HB . . 5.110 5.098 4.731 5.330 0.220 20 0 "[ . 1 . 2]" 1
11 1 4 GLU HA 1 5 TYR H . . 3.180 2.513 2.410 2.784 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLU HA 1 5 TYR HA . . 6.630 4.422 4.378 4.599 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU HA 1 30 ILE H . . 3.570 3.767 3.642 4.065 0.495 12 0 "[ . 1 . 2]" 1
14 1 4 GLU HA 1 30 ILE HB . . 4.700 3.083 2.751 3.690 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLU HG3 1 5 TYR HA . . 6.220 5.701 4.703 6.324 0.104 10 0 "[ . 1 . 2]" 1
16 1 4 GLU HG3 1 30 ILE H . . 6.590 3.892 2.990 4.716 . 0 0 "[ . 1 . 2]" 1
17 1 5 TYR H 1 5 TYR HB2 . . 4.240 2.410 2.060 3.150 . 0 0 "[ . 1 . 2]" 1
18 1 5 TYR H 1 5 TYR HB3 . . 3.690 3.306 2.276 3.674 . 0 0 "[ . 1 . 2]" 1
19 1 5 TYR H 1 59 TYR H . . 5.990 4.176 3.791 4.556 . 0 0 "[ . 1 . 2]" 1
20 1 5 TYR HA 1 6 VAL H . . 2.580 2.213 2.187 2.270 . 0 0 "[ . 1 . 2]" 1
21 1 5 TYR HA 1 30 ILE H . . 3.180 3.301 2.999 3.505 0.325 1 0 "[ . 1 . 2]" 1
22 1 5 TYR HB2 1 27 ILE MG . . 5.730 4.681 4.252 5.004 . 0 0 "[ . 1 . 2]" 1
23 1 5 TYR HB2 1 59 TYR H . . 7.000 4.369 3.715 5.380 . 0 0 "[ . 1 . 2]" 1
24 1 5 TYR HB2 1 59 TYR HB2 . . 3.640 3.595 3.025 3.786 0.146 7 0 "[ . 1 . 2]" 1
25 1 5 TYR HB2 1 59 TYR QD . . 7.710 4.141 2.164 5.275 . 0 0 "[ . 1 . 2]" 1
26 1 5 TYR HB3 1 6 VAL H . . 4.420 3.687 3.164 4.268 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HB3 1 27 ILE MG . . 7.610 3.621 3.021 5.358 . 0 0 "[ . 1 . 2]" 1
28 1 5 TYR HB3 1 59 TYR HB2 . . 5.110 2.855 2.019 3.884 . 0 0 "[ . 1 . 2]" 1
29 1 5 TYR HB3 1 59 TYR QD . . 7.480 3.531 2.012 4.881 . 0 0 "[ . 1 . 2]" 1
30 1 5 TYR QD 1 6 VAL H . . 9.140 3.855 2.524 4.615 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR QD 1 29 ARG HA . . 7.760 3.662 2.146 4.881 . 0 0 "[ . 1 . 2]" 1
32 1 6 VAL H 1 6 VAL HA . . 3.140 2.932 2.905 2.941 . 0 0 "[ . 1 . 2]" 1
33 1 6 VAL H 1 27 ILE MG . . 7.940 3.440 2.831 3.983 . 0 0 "[ . 1 . 2]" 1
34 1 6 VAL H 1 28 LEU H . . 3.230 2.812 2.480 3.230 . 0 0 "[ . 1 . 2]" 1
35 1 6 VAL H 1 28 LEU HB3 . . 7.000 4.951 4.384 5.516 . 0 0 "[ . 1 . 2]" 1
36 1 6 VAL H 1 29 ARG HA . . 6.490 3.249 2.742 3.542 . 0 0 "[ . 1 . 2]" 1
37 1 6 VAL H 1 30 ILE H . . 6.080 4.222 3.680 4.588 . 0 0 "[ . 1 . 2]" 1
38 1 6 VAL HA 1 7 ARG H . . 2.540 2.340 2.186 2.596 0.056 17 0 "[ . 1 . 2]" 1
39 1 6 VAL HA 1 56 VAL HB . . 7.000 4.381 4.045 4.823 . 0 0 "[ . 1 . 2]" 1
40 1 6 VAL HA 1 59 TYR H . . 3.040 2.852 2.264 3.088 0.048 11 0 "[ . 1 . 2]" 1
41 1 6 VAL HA 1 59 TYR HB2 . . 5.020 3.331 2.543 4.921 . 0 0 "[ . 1 . 2]" 1
42 1 7 ARG H 1 7 ARG HE . . 5.990 5.610 4.233 6.078 0.088 7 0 "[ . 1 . 2]" 1
43 1 7 ARG H 1 7 ARG HG2 . . 5.620 4.116 3.037 4.843 . 0 0 "[ . 1 . 2]" 1
44 1 7 ARG H 1 7 ARG HG3 . . 4.520 4.272 3.775 4.455 . 0 0 "[ . 1 . 2]" 1
45 1 7 ARG H 1 8 ALA H . . 4.840 4.451 4.284 4.616 . 0 0 "[ . 1 . 2]" 1
46 1 7 ARG H 1 27 ILE MD . . 8.030 5.335 4.541 6.348 . 0 0 "[ . 1 . 2]" 1
47 1 7 ARG H 1 56 VAL HA . . 5.110 4.445 3.978 4.850 . 0 0 "[ . 1 . 2]" 1
48 1 7 ARG H 1 56 VAL HB . . 4.700 3.232 2.698 3.629 . 0 0 "[ . 1 . 2]" 1
49 1 7 ARG H 1 57 GLU H . . 3.040 2.292 1.937 2.738 . 0 0 "[ . 1 . 2]" 1
50 1 7 ARG H 1 57 GLU HG2 . . 7.000 4.153 3.774 4.492 . 0 0 "[ . 1 . 2]" 1
51 1 7 ARG H 1 57 GLU HG3 . . 7.000 2.451 2.056 2.846 . 0 0 "[ . 1 . 2]" 1
52 1 7 ARG H 1 59 TYR H . . 6.450 4.333 3.444 5.164 . 0 0 "[ . 1 . 2]" 1
53 1 7 ARG HA 1 7 ARG HE . . 5.300 4.157 3.452 5.329 0.029 2 0 "[ . 1 . 2]" 1
54 1 7 ARG HA 1 8 ALA H . . 2.630 2.296 2.238 2.397 . 0 0 "[ . 1 . 2]" 1
55 1 7 ARG HA 1 8 ALA MB . . 6.190 3.891 3.791 3.965 . 0 0 "[ . 1 . 2]" 1
56 1 7 ARG HA 1 27 ILE MD . . 6.560 3.345 2.331 4.326 . 0 0 "[ . 1 . 2]" 1
57 1 7 ARG HA 1 27 ILE MG . . 8.030 3.729 2.833 4.071 . 0 0 "[ . 1 . 2]" 1
58 1 7 ARG HA 1 28 LEU H . . 3.640 3.396 2.936 3.698 0.058 2 0 "[ . 1 . 2]" 1
59 1 7 ARG HA 1 28 LEU HG . . 5.800 5.258 4.201 5.972 0.172 17 0 "[ . 1 . 2]" 1
60 1 7 ARG HA 1 56 VAL HB . . 6.630 4.180 3.882 4.436 . 0 0 "[ . 1 . 2]" 1
61 1 7 ARG HA 1 57 GLU H . . 3.960 4.204 4.096 4.321 0.361 1 0 "[ . 1 . 2]" 1
62 1 7 ARG HD3 1 57 GLU HG3 . . 5.020 4.797 4.206 5.248 0.228 5 0 "[ . 1 . 2]" 1
63 1 7 ARG HE 1 27 ILE MD . . 8.030 2.884 1.866 4.724 . 0 0 "[ . 1 . 2]" 1
64 1 7 ARG HG2 1 8 ALA H . . 7.000 3.870 3.080 4.393 . 0 0 "[ . 1 . 2]" 1
65 1 7 ARG HG2 1 8 ALA MB . . 8.030 5.044 4.469 5.633 . 0 0 "[ . 1 . 2]" 1
66 1 7 ARG HG2 1 25 GLY H . . 6.490 4.749 4.174 5.616 . 0 0 "[ . 1 . 2]" 1
67 1 7 ARG HG2 1 27 ILE MD . . 6.000 4.721 3.938 5.042 . 0 0 "[ . 1 . 2]" 1
68 1 7 ARG HG3 1 8 ALA H . . 6.910 2.417 1.950 2.811 . 0 0 "[ . 1 . 2]" 1
69 1 7 ARG HG3 1 8 ALA HA . . 7.000 3.842 3.501 4.012 . 0 0 "[ . 1 . 2]" 1
70 1 7 ARG HG3 1 9 LEU HA . . 7.000 3.952 3.705 4.229 . 0 0 "[ . 1 . 2]" 1
71 1 7 ARG HG3 1 9 LEU MD2 . . 6.000 3.035 2.620 3.406 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG HG3 1 25 GLY H . . 4.100 3.654 3.273 4.103 0.003 18 0 "[ . 1 . 2]" 1
73 1 7 ARG HG3 1 25 GLY HA3 . . 5.300 4.905 4.433 5.349 0.049 18 0 "[ . 1 . 2]" 1
74 1 7 ARG HG3 1 26 ASP H . . 7.000 3.723 3.318 4.188 . 0 0 "[ . 1 . 2]" 1
75 1 7 ARG HG3 1 27 ILE MD . . 8.030 3.938 3.423 5.550 . 0 0 "[ . 1 . 2]" 1
76 1 7 ARG HG3 1 57 GLU H . . 4.330 4.481 4.040 4.618 0.288 4 0 "[ . 1 . 2]" 1
77 1 7 ARG HG3 1 57 GLU HG3 . . 4.980 3.696 3.191 3.923 . 0 0 "[ . 1 . 2]" 1
78 1 8 ALA H 1 25 GLY H . . 3.780 3.854 3.670 3.934 0.154 6 0 "[ . 1 . 2]" 1
79 1 8 ALA H 1 26 ASP H . . 4.930 2.948 2.656 3.311 . 0 0 "[ . 1 . 2]" 1
80 1 8 ALA H 1 26 ASP HB2 . . 7.000 4.677 4.236 5.116 . 0 0 "[ . 1 . 2]" 1
81 1 8 ALA H 1 27 ILE H . . 5.760 4.619 4.366 4.891 . 0 0 "[ . 1 . 2]" 1
82 1 8 ALA H 1 27 ILE HA . . 3.640 3.424 2.850 3.711 0.071 11 0 "[ . 1 . 2]" 1
83 1 8 ALA H 1 27 ILE MD . . 8.030 4.098 3.337 5.550 . 0 0 "[ . 1 . 2]" 1
84 1 8 ALA H 1 28 LEU MD1 . . 8.030 3.437 2.335 4.545 . 0 0 "[ . 1 . 2]" 1
85 1 8 ALA H 1 28 LEU HG . . 7.000 5.106 4.027 6.360 . 0 0 "[ . 1 . 2]" 1
86 1 8 ALA H 1 56 VAL HA . . 4.360 4.429 4.273 4.543 0.183 19 0 "[ . 1 . 2]" 1
87 1 8 ALA H 1 56 VAL HB . . 6.130 4.302 3.704 4.742 . 0 0 "[ . 1 . 2]" 1
88 1 8 ALA HA 1 9 LEU H . . 2.400 2.198 2.187 2.215 . 0 0 "[ . 1 . 2]" 1
89 1 8 ALA HA 1 9 LEU HG . . 3.920 3.519 3.424 3.618 . 0 0 "[ . 1 . 2]" 1
90 1 8 ALA HA 1 10 PHE H . . 3.340 3.300 3.141 3.517 0.177 13 0 "[ . 1 . 2]" 1
91 1 8 ALA HA 1 25 GLY H . . 4.330 4.561 4.479 4.673 0.343 19 0 "[ . 1 . 2]" 1
92 1 8 ALA HA 1 56 VAL HA . . 3.600 1.973 1.867 2.142 . 0 0 "[ . 1 . 2]" 1
93 1 8 ALA HA 1 56 VAL HB . . 7.000 3.205 2.745 3.645 . 0 0 "[ . 1 . 2]" 1
94 1 8 ALA HA 1 56 VAL MG1 . . 8.030 2.102 1.936 2.446 . 0 0 "[ . 1 . 2]" 1
95 1 8 ALA HA 1 57 GLU H . . 4.420 3.695 3.562 3.817 . 0 0 "[ . 1 . 2]" 1
96 1 8 ALA MB 1 9 LEU H . . 6.370 3.462 3.304 3.546 . 0 0 "[ . 1 . 2]" 1
97 1 8 ALA MB 1 10 PHE H . . 6.000 3.220 2.697 3.784 . 0 0 "[ . 1 . 2]" 1
98 1 8 ALA MB 1 22 PHE HB2 . . 8.030 2.616 2.226 2.864 . 0 0 "[ . 1 . 2]" 1
99 1 8 ALA MB 1 22 PHE HZ . . 8.030 5.043 4.527 5.692 . 0 0 "[ . 1 . 2]" 1
100 1 8 ALA MB 1 23 LYS H . . 8.030 3.599 3.326 4.114 . 0 0 "[ . 1 . 2]" 1
101 1 8 ALA MB 1 24 LYS H . . 8.030 4.986 4.529 5.218 . 0 0 "[ . 1 . 2]" 1
102 1 8 ALA MB 1 25 GLY H . . 5.590 3.350 3.062 3.607 . 0 0 "[ . 1 . 2]" 1
103 1 8 ALA MB 1 25 GLY HA2 . . 8.030 4.931 4.610 5.150 . 0 0 "[ . 1 . 2]" 1
104 1 8 ALA MB 1 25 GLY HA3 . . 7.020 5.584 5.316 5.782 . 0 0 "[ . 1 . 2]" 1
105 1 8 ALA MB 1 26 ASP H . . 4.850 2.700 2.445 3.007 . 0 0 "[ . 1 . 2]" 1
106 1 8 ALA MB 1 26 ASP HB2 . . 8.030 3.494 3.088 3.968 . 0 0 "[ . 1 . 2]" 1
107 1 8 ALA MB 1 26 ASP HB3 . . 6.510 2.260 1.838 4.177 . 0 0 "[ . 1 . 2]" 1
108 1 8 ALA MB 1 28 LEU MD1 . . 8.500 2.289 1.784 2.962 . 0 0 "[ . 1 . 2]" 1
109 1 8 ALA MB 1 55 TYR HB2 . . 7.660 4.742 4.357 5.114 . 0 0 "[ . 1 . 2]" 1
110 1 8 ALA MB 1 56 VAL HA . . 8.030 3.499 3.304 3.682 . 0 0 "[ . 1 . 2]" 1
111 1 8 ALA MB 1 56 VAL MG1 . . 9.060 1.931 1.811 2.170 . 0 0 "[ . 1 . 2]" 1
112 1 9 LEU H 1 9 LEU MD2 . . 5.590 3.644 3.548 3.773 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU H 1 9 LEU HG . . 5.110 2.067 1.960 2.251 . 0 0 "[ . 1 . 2]" 1
114 1 9 LEU H 1 10 PHE H . . 2.680 2.279 2.121 2.618 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU H 1 25 GLY H . . 5.110 4.250 4.058 4.379 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU H 1 55 TYR HA . . 5.530 4.884 4.636 5.204 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU H 1 56 VAL HA . . 2.950 2.732 2.407 3.008 0.058 10 0 "[ . 1 . 2]" 1
118 1 9 LEU H 1 56 VAL MG1 . . 8.030 3.852 3.539 4.120 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU H 1 57 GLU H . . 4.880 4.334 4.102 4.659 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU HA 1 9 LEU MD2 . . 4.260 2.802 2.588 3.071 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU HA 1 10 PHE H . . 3.600 3.414 3.169 3.552 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU HA 1 25 GLY H . . 6.310 2.517 2.124 2.837 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU QB 1 10 PHE H . . 5.300 3.330 2.954 3.746 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU MD1 1 56 VAL H . . 6.100 4.824 4.634 4.941 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU MD1 1 56 VAL HA . . 8.030 3.558 3.220 3.913 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU MD1 1 57 GLU H . . 8.030 3.704 3.333 4.112 . 0 0 "[ . 1 . 2]" 1
127 1 9 LEU MD1 1 57 GLU HA . . 7.570 3.931 3.638 4.271 . 0 0 "[ . 1 . 2]" 1
128 1 9 LEU MD1 1 57 GLU HB2 . . 5.590 3.467 2.983 4.065 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU MD1 1 57 GLU HB3 . . 6.790 2.245 1.781 3.162 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU MD1 1 57 GLU HG3 . . 8.030 3.251 3.042 3.381 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU MD2 1 56 VAL HA . . 7.710 4.985 4.701 5.184 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU MD2 1 57 GLU H . . 7.060 4.610 4.381 4.929 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU MD2 1 57 GLU HB2 . . 5.680 4.319 3.953 4.588 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU MD2 1 57 GLU HB3 . . 7.290 3.842 3.511 4.362 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU MD2 1 57 GLU HG2 . . 8.030 2.260 1.963 3.108 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU MD2 1 57 GLU HG3 . . 6.880 3.357 3.175 3.622 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU HG 1 10 PHE H . . 5.800 4.171 3.981 4.405 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU HG 1 56 VAL HA . . 7.000 3.609 3.251 3.892 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU HG 1 56 VAL MG1 . . 8.030 5.036 4.794 5.227 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU HG 1 57 GLU H . . 4.980 3.914 3.700 4.251 . 0 0 "[ . 1 . 2]" 1
141 1 9 LEU HG 1 57 GLU HG3 . . 3.180 3.276 3.180 3.436 0.256 11 0 "[ . 1 . 2]" 1
142 1 10 PHE H 1 10 PHE HB2 . . 3.870 2.561 2.226 2.858 . 0 0 "[ . 1 . 2]" 1
143 1 10 PHE H 1 10 PHE HB3 . . 4.060 3.643 3.489 3.845 . 0 0 "[ . 1 . 2]" 1
144 1 10 PHE H 1 11 ASP H . . 4.930 4.525 4.399 4.618 . 0 0 "[ . 1 . 2]" 1
145 1 10 PHE H 1 55 TYR HB2 . . 7.000 5.683 5.152 6.013 . 0 0 "[ . 1 . 2]" 1
146 1 10 PHE H 1 55 TYR HD2 . . 6.630 5.129 4.744 5.330 . 0 0 "[ . 1 . 2]" 1
147 1 10 PHE H 1 56 VAL HA . . 4.610 4.197 3.892 4.537 . 0 0 "[ . 1 . 2]" 1
148 1 10 PHE HA 1 11 ASP H . . 2.950 2.380 2.290 2.508 . 0 0 "[ . 1 . 2]" 1
149 1 10 PHE HB2 1 11 ASP H . . 3.640 3.730 3.585 3.895 0.255 2 0 "[ . 1 . 2]" 1
150 1 10 PHE HB2 1 55 TYR HB2 . . 6.310 4.501 3.839 5.226 . 0 0 "[ . 1 . 2]" 1
151 1 10 PHE HB2 1 55 TYR HD2 . . 3.090 3.005 2.557 3.183 0.093 2 0 "[ . 1 . 2]" 1
152 1 10 PHE HB3 1 11 ASP H . . 3.320 2.812 2.451 3.165 . 0 0 "[ . 1 . 2]" 1
153 1 10 PHE HB3 1 55 TYR HD2 . . 6.220 3.747 2.955 4.486 . 0 0 "[ . 1 . 2]" 1
154 1 11 ASP H 1 11 ASP HB2 . . 3.690 3.222 2.911 3.697 0.007 1 0 "[ . 1 . 2]" 1
155 1 11 ASP H 1 55 TYR HD2 . . 6.680 5.078 4.597 5.536 . 0 0 "[ . 1 . 2]" 1
156 1 11 ASP HB2 1 12 PHE H . . 3.690 3.439 2.844 3.847 0.157 7 0 "[ . 1 . 2]" 1
157 1 11 ASP HB3 1 12 PHE H . . 3.920 3.749 3.091 4.099 0.179 11 0 "[ . 1 . 2]" 1
158 1 11 ASP HB3 1 24 LYS H . . 7.000 4.108 2.465 6.003 . 0 0 "[ . 1 . 2]" 1
159 1 12 PHE H 1 12 PHE HA . . 3.040 2.807 2.694 2.929 . 0 0 "[ . 1 . 2]" 1
160 1 12 PHE H 1 12 PHE HB2 . . 3.780 3.346 3.034 3.687 . 0 0 "[ . 1 . 2]" 1
161 1 12 PHE H 1 12 PHE HB3 . . 3.640 3.050 2.386 3.700 0.060 6 0 "[ . 1 . 2]" 1
162 1 12 PHE H 1 13 ASN HA . . 3.640 3.778 3.632 3.899 0.259 16 0 "[ . 1 . 2]" 1
163 1 12 PHE H 1 22 PHE HA . . 4.840 5.070 4.825 5.245 0.405 9 0 "[ . 1 . 2]" 1
164 1 12 PHE H 1 23 LYS HA . . 3.140 3.318 3.176 3.498 0.358 9 0 "[ . 1 . 2]" 1
165 1 12 PHE H 1 55 TYR HD2 . . 6.680 5.029 4.505 5.414 . 0 0 "[ . 1 . 2]" 1
166 1 12 PHE HA 1 55 TYR HD2 . . 7.000 5.145 4.110 5.912 . 0 0 "[ . 1 . 2]" 1
167 1 12 PHE HA 1 55 TYR HE2 . . 7.000 4.559 3.174 5.323 . 0 0 "[ . 1 . 2]" 1
168 1 12 PHE HB2 1 13 ASN H . . 5.710 4.514 3.920 4.731 . 0 0 "[ . 1 . 2]" 1
169 1 12 PHE HB2 1 22 PHE H . . 6.170 5.573 5.052 6.182 0.012 19 0 "[ . 1 . 2]" 1
170 1 12 PHE HB2 1 22 PHE HB2 . . 7.000 6.802 6.497 7.024 0.024 1 0 "[ . 1 . 2]" 1
171 1 12 PHE HB2 1 22 PHE HZ . . 6.860 3.216 2.391 5.321 . 0 0 "[ . 1 . 2]" 1
172 1 12 PHE HB2 1 52 PRO HD2 . . 7.000 6.348 5.278 7.034 0.034 5 0 "[ . 1 . 2]" 1
173 1 12 PHE HB2 1 55 TYR HD2 . . 4.240 2.697 2.001 3.666 . 0 0 "[ . 1 . 2]" 1
174 1 12 PHE HB3 1 13 ASN H . . 5.160 3.918 2.520 4.450 . 0 0 "[ . 1 . 2]" 1
175 1 12 PHE HB3 1 22 PHE H . . 6.490 4.388 3.329 5.897 . 0 0 "[ . 1 . 2]" 1
176 1 12 PHE HB3 1 22 PHE HZ . . 7.000 2.451 2.011 3.778 . 0 0 "[ . 1 . 2]" 1
177 1 12 PHE HB3 1 55 TYR HB2 . . 6.310 5.605 5.055 6.163 . 0 0 "[ . 1 . 2]" 1
178 1 12 PHE HB3 1 55 TYR HB3 . . 5.620 4.860 4.519 5.255 . 0 0 "[ . 1 . 2]" 1
179 1 12 PHE HB3 1 55 TYR HD2 . . 3.090 3.173 2.868 3.267 0.177 14 0 "[ . 1 . 2]" 1
180 1 12 PHE QD 1 22 PHE H . . 9.120 5.060 2.429 6.766 . 0 0 "[ . 1 . 2]" 1
181 1 13 ASN H 1 13 ASN HB2 . . 4.100 3.042 2.090 3.888 . 0 0 "[ . 1 . 2]" 1
182 1 13 ASN H 1 21 PRO HA . . 4.240 4.184 3.372 4.448 0.208 17 0 "[ . 1 . 2]" 1
183 1 13 ASN HA 1 21 PRO HB2 . . 6.540 2.917 1.976 4.559 . 0 0 "[ . 1 . 2]" 1
184 1 13 ASN HA 1 21 PRO HB3 . . 4.840 2.634 2.095 3.891 . 0 0 "[ . 1 . 2]" 1
185 1 13 ASN HA 1 22 PHE H . . 3.600 2.352 1.941 3.389 . 0 0 "[ . 1 . 2]" 1
186 1 15 ASN H 1 16 ASP H . . 2.720 2.416 1.894 2.824 0.104 8 0 "[ . 1 . 2]" 1
187 1 15 ASN H 1 16 ASP HB3 . . 7.000 5.126 3.574 6.296 . 0 0 "[ . 1 . 2]" 1
188 1 15 ASN H 1 19 ASP QB . . 5.440 3.808 2.834 4.888 . 0 0 "[ . 1 . 2]" 1
189 1 15 ASN HA 1 16 ASP H . . 3.600 3.028 2.448 3.647 0.047 4 0 "[ . 1 . 2]" 1
190 1 16 ASP H 1 16 ASP HB2 . . 4.100 2.817 2.083 4.017 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASP H 1 19 ASP H . . 6.400 4.191 2.214 5.999 . 0 0 "[ . 1 . 2]" 1
192 1 16 ASP HB2 1 17 GLU H . . 4.240 2.770 1.781 4.186 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASP HB2 1 18 GLU H . . 7.000 3.954 2.752 5.419 . 0 0 "[ . 1 . 2]" 1
194 1 16 ASP HB2 1 19 ASP H . . 4.520 3.823 2.362 4.571 0.051 8 0 "[ . 1 . 2]" 1
195 1 16 ASP HB3 1 17 GLU H . . 3.600 2.716 1.974 3.492 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASP HB3 1 18 GLU H . . 5.480 4.146 2.062 5.567 0.087 13 0 "[ . 1 . 2]" 1
197 1 16 ASP HB3 1 19 ASP H . . 7.000 4.442 2.627 5.974 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU H 1 17 GLU HA . . 3.090 2.730 2.191 2.918 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU H 1 18 GLU H . . 3.460 2.734 1.805 3.632 0.172 6 0 "[ . 1 . 2]" 1
200 1 17 GLU HA 1 18 GLU H . . 3.460 2.864 2.431 3.576 0.116 12 0 "[ . 1 . 2]" 1
201 1 17 GLU HA 1 19 ASP H . . 4.840 4.472 3.864 5.023 0.183 9 0 "[ . 1 . 2]" 1
202 1 18 GLU H 1 18 GLU HA . . 3.000 2.568 2.172 2.911 . 0 0 "[ . 1 . 2]" 1
203 1 18 GLU H 1 18 GLU HG2 . . 5.020 3.799 1.949 5.027 0.007 9 0 "[ . 1 . 2]" 1
204 1 18 GLU H 1 18 GLU HG3 . . 4.790 4.259 3.523 4.869 0.079 8 0 "[ . 1 . 2]" 1
205 1 18 GLU H 1 19 ASP H . . 2.770 2.393 1.890 2.885 0.115 8 0 "[ . 1 . 2]" 1
206 1 18 GLU HA 1 18 GLU HG2 . . 3.690 3.093 2.348 3.664 . 0 0 "[ . 1 . 2]" 1
207 1 18 GLU HA 1 18 GLU HG3 . . 4.190 3.151 2.118 4.039 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLU HA 1 19 ASP H . . 3.550 3.237 2.639 3.642 0.092 9 0 "[ . 1 . 2]" 1
209 1 18 GLU HG2 1 19 ASP H . . 4.560 3.822 1.963 4.732 0.172 9 0 "[ . 1 . 2]" 1
210 1 18 GLU HG3 1 19 ASP H . . 7.000 4.442 2.445 5.693 . 0 0 "[ . 1 . 2]" 1
211 1 19 ASP HA 1 20 LEU H . . 2.860 2.494 2.252 2.712 . 0 0 "[ . 1 . 2]" 1
212 1 19 ASP HA 1 50 MET H . . 3.370 3.262 1.923 3.497 0.127 19 0 "[ . 1 . 2]" 1
213 1 20 LEU H 1 20 LEU MD1 . . 5.450 3.693 2.712 4.434 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU H 1 50 MET H . . 4.750 4.277 3.540 4.814 0.064 17 0 "[ . 1 . 2]" 1
215 1 20 LEU H 1 51 ILE HA . . 4.100 3.716 3.167 4.230 0.130 6 0 "[ . 1 . 2]" 1
216 1 20 LEU HA 1 21 PRO HD2 . . 4.150 2.295 2.184 2.544 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU MD1 1 21 PRO HD2 . . 8.030 3.087 1.973 5.294 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU MD1 1 21 PRO HD3 . . 8.030 3.614 2.354 5.308 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU MD1 1 49 GLY H . . 6.880 3.345 1.925 5.371 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU MD2 1 22 PHE HB2 . . 8.030 6.276 4.952 6.740 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU MD2 1 28 LEU HB2 . . 6.880 4.896 2.995 5.671 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU MD2 1 28 LEU MD1 . . 8.140 3.811 2.430 5.311 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU MD2 1 41 ALA H . . 8.030 3.779 2.415 5.003 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU MD2 1 41 ALA MB . . 6.200 3.448 1.838 4.112 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU MD2 1 42 GLU H . . 8.030 4.497 2.879 5.484 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU MD2 1 42 GLU HA . . 6.830 3.206 2.504 4.105 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU MD2 1 43 ASP H . . 6.830 2.500 1.851 3.845 . 0 0 "[ . 1 . 2]" 1
228 1 20 LEU MD2 1 43 ASP HA . . 8.030 3.471 2.583 4.898 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU MD2 1 43 ASP HB2 . . 6.140 2.893 1.736 4.521 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU MD2 1 43 ASP HB3 . . 7.660 3.452 1.741 5.787 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU MD2 1 48 ARG HA . . 5.820 3.560 2.932 4.679 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU MD2 1 49 GLY H . . 5.730 2.716 1.869 4.066 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU HG 1 28 LEU MD1 . . 8.030 5.104 2.197 6.682 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU HG 1 28 LEU MD2 . . 8.030 3.431 1.810 4.509 . 0 0 "[ . 1 . 2]" 1
235 1 21 PRO HA 1 21 PRO HB3 . . 3.090 2.302 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
236 1 21 PRO HA 1 22 PHE H . . 2.810 2.227 2.150 2.508 . 0 0 "[ . 1 . 2]" 1
237 1 21 PRO HB2 1 22 PHE H . . 4.010 3.386 2.536 3.863 . 0 0 "[ . 1 . 2]" 1
238 1 21 PRO HB2 1 22 PHE HA . . 6.770 4.197 3.948 4.399 . 0 0 "[ . 1 . 2]" 1
239 1 21 PRO HB3 1 21 PRO HD2 . . 4.100 4.038 4.037 4.039 . 0 0 "[ . 1 . 2]" 1
240 1 21 PRO HB3 1 22 PHE H . . 4.520 3.800 3.314 4.126 . 0 0 "[ . 1 . 2]" 1
241 1 22 PHE H 1 22 PHE HA . . 2.890 2.886 2.773 2.933 0.043 4 0 "[ . 1 . 2]" 1
242 1 22 PHE H 1 23 LYS H . . 6.540 4.404 4.348 4.441 . 0 0 "[ . 1 . 2]" 1
243 1 22 PHE HA 1 23 LYS H . . 2.490 2.564 2.494 2.660 0.170 4 0 "[ . 1 . 2]" 1
244 1 22 PHE HB2 1 23 LYS H . . 3.180 2.343 2.157 2.556 . 0 0 "[ . 1 . 2]" 1
245 1 22 PHE HB2 1 26 ASP HB2 . . 7.000 3.586 2.762 4.441 . 0 0 "[ . 1 . 2]" 1
246 1 22 PHE HB2 1 28 LEU MD1 . . 7.430 3.605 2.833 4.470 . 0 0 "[ . 1 . 2]" 1
247 1 22 PHE HB3 1 23 LYS H . . 3.600 3.631 3.327 3.795 0.195 18 0 "[ . 1 . 2]" 1
248 1 22 PHE HB3 1 26 ASP HB2 . . 7.000 4.394 3.406 5.217 . 0 0 "[ . 1 . 2]" 1
249 1 22 PHE HB3 1 28 LEU MD1 . . 7.380 3.149 2.312 4.172 . 0 0 "[ . 1 . 2]" 1
250 1 22 PHE HB3 1 28 LEU MD2 . . 7.480 3.486 2.098 4.952 . 0 0 "[ . 1 . 2]" 1
251 1 22 PHE QE 1 55 TYR HB2 . . 8.480 3.998 3.606 4.338 . 0 0 "[ . 1 . 2]" 1
252 1 22 PHE HZ 1 28 LEU MD1 . . 8.030 6.005 5.163 6.647 . 0 0 "[ . 1 . 2]" 1
253 1 22 PHE HZ 1 52 PRO HD3 . . 7.000 3.335 2.060 4.020 . 0 0 "[ . 1 . 2]" 1
254 1 22 PHE HZ 1 52 PRO HG2 . . 7.000 2.367 1.960 3.057 . 0 0 "[ . 1 . 2]" 1
255 1 22 PHE HZ 1 52 PRO HG3 . . 7.000 2.331 1.970 3.170 . 0 0 "[ . 1 . 2]" 1
256 1 22 PHE HZ 1 55 TYR HB2 . . 4.380 3.588 3.067 4.428 0.048 19 0 "[ . 1 . 2]" 1
257 1 22 PHE HZ 1 55 TYR HB3 . . 4.650 3.291 2.445 4.275 . 0 0 "[ . 1 . 2]" 1
258 1 22 PHE HZ 1 56 VAL MG1 . . 6.000 4.803 4.320 5.065 . 0 0 "[ . 1 . 2]" 1
259 1 23 LYS H 1 23 LYS HB2 . . 3.270 2.814 2.531 3.187 . 0 0 "[ . 1 . 2]" 1
260 1 23 LYS H 1 23 LYS HB3 . . 3.230 2.996 2.647 3.236 0.006 12 0 "[ . 1 . 2]" 1
261 1 23 LYS H 1 26 ASP H . . 3.960 4.134 3.993 4.244 0.284 11 0 "[ . 1 . 2]" 1
262 1 23 LYS H 1 26 ASP HB2 . . 5.110 2.853 2.222 4.547 . 0 0 "[ . 1 . 2]" 1
263 1 23 LYS H 1 26 ASP HB3 . . 3.920 3.176 2.453 3.943 0.023 14 0 "[ . 1 . 2]" 1
264 1 23 LYS HB2 1 24 LYS H . . 3.640 3.508 3.142 3.715 0.075 15 0 "[ . 1 . 2]" 1
265 1 23 LYS HB3 1 24 LYS H . . 3.600 2.135 1.785 2.691 . 0 0 "[ . 1 . 2]" 1
266 1 24 LYS H 1 25 GLY H . . 4.560 4.108 3.653 4.376 . 0 0 "[ . 1 . 2]" 1
267 1 25 GLY H 1 25 GLY HA2 . . 3.140 2.390 2.319 2.468 . 0 0 "[ . 1 . 2]" 1
268 1 25 GLY H 1 25 GLY HA3 . . 2.860 2.950 2.924 2.961 0.101 5 0 "[ . 1 . 2]" 1
269 1 25 GLY H 1 26 ASP H . . 3.000 1.999 1.814 2.200 . 0 0 "[ . 1 . 2]" 1
270 1 25 GLY HA2 1 26 ASP H . . 3.640 3.118 3.027 3.274 . 0 0 "[ . 1 . 2]" 1
271 1 25 GLY HA2 1 26 ASP HA . . 4.360 4.588 4.512 4.661 0.301 14 0 "[ . 1 . 2]" 1
272 1 25 GLY HA3 1 26 ASP H . . 3.460 3.527 3.429 3.572 0.112 19 0 "[ . 1 . 2]" 1
273 1 26 ASP H 1 26 ASP HA . . 2.810 2.874 2.839 2.904 0.094 18 0 "[ . 1 . 2]" 1
274 1 26 ASP H 1 26 ASP HB2 . . 3.500 2.882 2.614 3.573 0.073 10 0 "[ . 1 . 2]" 1
275 1 26 ASP H 1 26 ASP HB3 . . 3.410 2.396 2.139 3.021 . 0 0 "[ . 1 . 2]" 1
276 1 26 ASP HA 1 27 ILE H . . 2.630 2.518 2.357 2.628 . 0 0 "[ . 1 . 2]" 1
277 1 26 ASP HA 1 27 ILE HB . . 5.760 4.634 4.334 4.941 . 0 0 "[ . 1 . 2]" 1
278 1 26 ASP HA 1 27 ILE MD . . 8.030 3.461 2.468 5.070 . 0 0 "[ . 1 . 2]" 1
279 1 26 ASP HB2 1 27 ILE H . . 3.830 3.675 2.351 3.982 0.152 11 0 "[ . 1 . 2]" 1
280 1 26 ASP HB2 1 27 ILE HA . . 7.000 5.563 4.308 5.786 . 0 0 "[ . 1 . 2]" 1
281 1 26 ASP HB2 1 28 LEU MD1 . . 8.030 4.457 2.906 5.403 . 0 0 "[ . 1 . 2]" 1
282 1 26 ASP HB2 1 43 ASP HB3 . . 7.000 6.969 5.757 7.173 0.173 9 0 "[ . 1 . 2]" 1
283 1 26 ASP HB3 1 27 ILE H . . 3.780 3.731 3.455 4.012 0.232 19 0 "[ . 1 . 2]" 1
284 1 27 ILE H 1 27 ILE HB . . 3.140 2.596 2.310 2.796 . 0 0 "[ . 1 . 2]" 1
285 1 27 ILE HA 1 28 LEU H . . 2.400 2.273 2.196 2.336 . 0 0 "[ . 1 . 2]" 1
286 1 27 ILE HB 1 28 LEU H . . 4.930 4.061 3.840 4.271 . 0 0 "[ . 1 . 2]" 1
287 1 27 ILE HB 1 28 LEU HA . . 4.610 4.734 4.500 4.957 0.347 19 0 "[ . 1 . 2]" 1
288 1 27 ILE MD 1 28 LEU H . . 8.030 4.295 3.663 4.847 . 0 0 "[ . 1 . 2]" 1
289 1 27 ILE MD 1 59 TYR HB2 . . 8.030 5.606 4.236 6.789 . 0 0 "[ . 1 . 2]" 1
290 1 27 ILE MG 1 28 LEU H . . 5.130 2.243 1.909 2.760 . 0 0 "[ . 1 . 2]" 1
291 1 27 ILE MG 1 28 LEU HA . . 6.330 3.504 3.156 3.952 . 0 0 "[ . 1 . 2]" 1
292 1 27 ILE MG 1 29 ARG HB3 . . 8.030 5.792 5.338 6.233 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU H 1 28 LEU HB2 . . 3.960 2.879 2.725 3.170 . 0 0 "[ . 1 . 2]" 1
294 1 28 LEU H 1 28 LEU HG . . 5.020 3.451 2.759 4.079 . 0 0 "[ . 1 . 2]" 1
295 1 28 LEU H 1 29 ARG H . . 4.190 4.234 4.157 4.361 0.171 15 0 "[ . 1 . 2]" 1
296 1 28 LEU H 1 29 ARG HA . . 6.590 4.469 4.409 4.601 . 0 0 "[ . 1 . 2]" 1
297 1 28 LEU HA 1 28 LEU HG . . 3.870 2.611 2.228 2.946 . 0 0 "[ . 1 . 2]" 1
298 1 28 LEU HA 1 29 ARG H . . 2.400 2.211 2.185 2.263 . 0 0 "[ . 1 . 2]" 1
299 1 28 LEU HA 1 41 ALA MB . . 5.910 3.640 3.360 4.006 . 0 0 "[ . 1 . 2]" 1
300 1 28 LEU HA 1 42 GLU H . . 4.100 3.892 3.567 4.130 0.030 1 0 "[ . 1 . 2]" 1
301 1 28 LEU HA 1 44 SER H . . 7.000 4.939 4.479 5.314 . 0 0 "[ . 1 . 2]" 1
302 1 28 LEU HB2 1 29 ARG H . . 4.840 4.184 3.700 4.483 . 0 0 "[ . 1 . 2]" 1
303 1 28 LEU HB2 1 30 ILE MD . . 8.030 4.021 3.440 5.033 . 0 0 "[ . 1 . 2]" 1
304 1 28 LEU HB2 1 42 GLU H . . 6.220 4.971 4.239 5.372 . 0 0 "[ . 1 . 2]" 1
305 1 28 LEU HB2 1 43 ASP HB2 . . 7.000 6.984 6.528 7.300 0.300 17 0 "[ . 1 . 2]" 1
306 1 28 LEU HB3 1 29 ARG H . . 3.830 3.301 3.138 3.493 . 0 0 "[ . 1 . 2]" 1
307 1 28 LEU HB3 1 30 ILE MD . . 6.100 4.160 3.305 5.025 . 0 0 "[ . 1 . 2]" 1
308 1 28 LEU HB3 1 42 GLU H . . 3.640 3.621 3.271 3.724 0.084 12 0 "[ . 1 . 2]" 1
309 1 28 LEU HB3 1 56 VAL MG1 . . 5.820 4.745 4.618 4.922 . 0 0 "[ . 1 . 2]" 1
310 1 28 LEU MD1 1 30 ILE MD . . 9.060 4.693 3.944 5.403 . 0 0 "[ . 1 . 2]" 1
311 1 28 LEU MD1 1 41 ALA MB . . 5.930 3.686 3.000 4.059 . 0 0 "[ . 1 . 2]" 1
312 1 28 LEU MD1 1 56 VAL HB . . 8.030 3.789 2.910 4.852 . 0 0 "[ . 1 . 2]" 1
313 1 28 LEU MD1 1 56 VAL MG1 . . 9.060 2.338 1.778 3.292 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU MD1 1 56 VAL MG2 . . 7.580 3.856 3.059 4.863 . 0 0 "[ . 1 . 2]" 1
315 1 28 LEU MD2 1 41 ALA MB . . 6.940 2.796 1.983 3.500 . 0 0 "[ . 1 . 2]" 1
316 1 28 LEU MD2 1 42 GLU H . . 8.030 4.058 2.803 4.933 . 0 0 "[ . 1 . 2]" 1
317 1 28 LEU MD2 1 43 ASP H . . 7.150 3.275 2.326 4.824 . 0 0 "[ . 1 . 2]" 1
318 1 28 LEU MD2 1 43 ASP HA . . 8.030 2.281 1.753 3.768 . 0 0 "[ . 1 . 2]" 1
319 1 28 LEU MD2 1 43 ASP HB2 . . 5.910 3.323 2.554 4.797 . 0 0 "[ . 1 . 2]" 1
320 1 28 LEU MD2 1 43 ASP HB3 . . 8.030 3.382 1.916 5.138 . 0 0 "[ . 1 . 2]" 1
321 1 28 LEU MD2 1 44 SER H . . 8.030 4.189 3.192 5.479 . 0 0 "[ . 1 . 2]" 1
322 1 29 ARG H 1 29 ARG HB2 . . 3.500 2.391 2.106 2.936 . 0 0 "[ . 1 . 2]" 1
323 1 29 ARG H 1 29 ARG HB3 . . 4.240 2.833 2.299 3.369 . 0 0 "[ . 1 . 2]" 1
324 1 29 ARG H 1 29 ARG HG3 . . 5.250 4.256 3.391 4.698 . 0 0 "[ . 1 . 2]" 1
325 1 29 ARG H 1 30 ILE H . . 4.700 4.554 4.501 4.609 . 0 0 "[ . 1 . 2]" 1
326 1 29 ARG H 1 41 ALA MB . . 5.870 3.126 2.800 3.588 . 0 0 "[ . 1 . 2]" 1
327 1 29 ARG H 1 42 GLU H . . 3.180 2.318 2.052 2.744 . 0 0 "[ . 1 . 2]" 1
328 1 29 ARG H 1 42 GLU HB2 . . 5.850 3.400 3.023 3.922 . 0 0 "[ . 1 . 2]" 1
329 1 29 ARG H 1 42 GLU HB3 . . 7.000 3.979 3.504 4.493 . 0 0 "[ . 1 . 2]" 1
330 1 29 ARG H 1 43 ASP HA . . 4.700 4.008 3.631 4.236 . 0 0 "[ . 1 . 2]" 1
331 1 29 ARG HA 1 30 ILE H . . 2.490 2.272 2.241 2.332 . 0 0 "[ . 1 . 2]" 1
332 1 29 ARG HA 1 30 ILE HB . . 6.860 4.337 4.139 4.635 . 0 0 "[ . 1 . 2]" 1
333 1 29 ARG HB2 1 42 GLU H . . 7.000 3.689 3.127 4.647 . 0 0 "[ . 1 . 2]" 1
334 1 29 ARG HB3 1 30 ILE H . . 7.000 3.834 3.124 4.305 . 0 0 "[ . 1 . 2]" 1
335 1 29 ARG HB3 1 42 GLU H . . 5.210 3.016 2.673 3.789 . 0 0 "[ . 1 . 2]" 1
336 1 29 ARG HG2 1 30 ILE H . . 6.630 2.923 2.241 4.305 . 0 0 "[ . 1 . 2]" 1
337 1 29 ARG HG3 1 30 ILE H . . 7.000 3.917 2.790 4.750 . 0 0 "[ . 1 . 2]" 1
338 1 29 ARG HG3 1 30 ILE HB . . 7.000 5.892 4.552 6.832 . 0 0 "[ . 1 . 2]" 1
339 1 29 ARG HG3 1 42 GLU HB2 . . 5.020 5.106 4.529 5.244 0.224 11 0 "[ . 1 . 2]" 1
340 1 30 ILE H 1 30 ILE HA . . 2.810 2.886 2.878 2.899 0.089 12 0 "[ . 1 . 2]" 1
341 1 30 ILE H 1 30 ILE HB . . 3.180 2.174 2.068 2.375 . 0 0 "[ . 1 . 2]" 1
342 1 30 ILE H 1 41 ALA MB . . 6.460 3.849 3.411 4.269 . 0 0 "[ . 1 . 2]" 1
343 1 30 ILE HA 1 31 ARG H . . 4.650 2.183 2.176 2.214 . 0 0 "[ . 1 . 2]" 1
344 1 30 ILE HA 1 41 ALA HA . . 3.830 2.534 2.195 2.857 . 0 0 "[ . 1 . 2]" 1
345 1 30 ILE HA 1 41 ALA MB . . 8.030 2.379 1.967 2.922 . 0 0 "[ . 1 . 2]" 1
346 1 30 ILE MD 1 31 ARG H . . 5.770 3.946 3.141 4.502 . 0 0 "[ . 1 . 2]" 1
347 1 30 ILE MD 1 39 TRP HB2 . . 6.600 3.467 2.146 4.583 . 0 0 "[ . 1 . 2]" 1
348 1 30 ILE MD 1 39 TRP HB3 . . 5.640 3.761 2.128 4.713 . 0 0 "[ . 1 . 2]" 1
349 1 30 ILE MD 1 39 TRP HE3 . . 5.310 2.770 1.794 3.687 . 0 0 "[ . 1 . 2]" 1
350 1 30 ILE MD 1 39 TRP HZ3 . . 8.030 4.002 3.366 4.617 . 0 0 "[ . 1 . 2]" 1
351 1 30 ILE MD 1 41 ALA HA . . 8.030 3.645 3.005 4.296 . 0 0 "[ . 1 . 2]" 1
352 1 30 ILE MD 1 41 ALA MB . . 7.680 2.067 1.805 2.842 . 0 0 "[ . 1 . 2]" 1
353 1 31 ARG H 1 31 ARG HB2 . . 3.690 2.781 2.247 3.785 0.095 19 0 "[ . 1 . 2]" 1
354 1 31 ARG H 1 31 ARG HB3 . . 4.240 3.074 2.662 3.728 . 0 0 "[ . 1 . 2]" 1
355 1 31 ARG H 1 32 ASP H . . 2.680 2.134 1.791 2.583 . 0 0 "[ . 1 . 2]" 1
356 1 31 ARG H 1 41 ALA HA . . 2.950 2.453 2.114 2.747 . 0 0 "[ . 1 . 2]" 1
357 1 31 ARG H 1 41 ALA MB . . 8.030 3.589 3.171 4.016 . 0 0 "[ . 1 . 2]" 1
358 1 31 ARG H 1 42 GLU H . . 5.340 4.560 4.084 4.836 . 0 0 "[ . 1 . 2]" 1
359 1 31 ARG HA 1 32 ASP H . . 4.060 3.623 3.547 3.650 . 0 0 "[ . 1 . 2]" 1
360 1 31 ARG HB2 1 32 ASP H . . 4.010 3.291 2.234 4.107 0.097 19 0 "[ . 1 . 2]" 1
361 1 31 ARG HB3 1 32 ASP H . . 4.880 2.898 1.937 4.120 . 0 0 "[ . 1 . 2]" 1
362 1 31 ARG QD 1 42 GLU HB2 . . 7.420 4.539 2.365 6.668 . 0 0 "[ . 1 . 2]" 1
363 1 31 ARG QD 1 42 GLU HG2 . . 7.880 5.006 3.410 6.652 . 0 0 "[ . 1 . 2]" 1
364 1 31 ARG QD 1 48 ARG HB2 . . 7.880 5.005 3.733 7.103 . 0 0 "[ . 1 . 2]" 1
365 1 32 ASP H 1 33 LYS H . . 6.450 4.421 4.300 4.528 . 0 0 "[ . 1 . 2]" 1
366 1 32 ASP H 1 40 ASN H . . 3.500 3.532 3.215 3.632 0.132 9 0 "[ . 1 . 2]" 1
367 1 32 ASP H 1 40 ASN HB2 . . 4.930 3.906 3.345 4.266 . 0 0 "[ . 1 . 2]" 1
368 1 32 ASP H 1 41 ALA HA . . 5.530 3.890 3.607 4.077 . 0 0 "[ . 1 . 2]" 1
369 1 32 ASP HA 1 33 LYS H . . 2.910 2.539 2.356 2.709 . 0 0 "[ . 1 . 2]" 1
370 1 32 ASP HB2 1 33 LYS H . . 5.440 3.973 3.558 4.323 . 0 0 "[ . 1 . 2]" 1
371 1 32 ASP HB3 1 33 LYS H . . 6.310 2.968 2.182 3.945 . 0 0 "[ . 1 . 2]" 1
372 1 32 ASP HB3 1 40 ASN H . . 4.650 3.613 2.801 4.533 . 0 0 "[ . 1 . 2]" 1
373 1 33 LYS H 1 33 LYS HB3 . . 4.100 3.470 2.709 3.958 . 0 0 "[ . 1 . 2]" 1
374 1 33 LYS HA 1 35 GLU H . . 4.470 3.635 3.279 4.569 0.099 19 0 "[ . 1 . 2]" 1
375 1 33 LYS HA 1 39 TRP HD1 . . 4.840 2.966 2.473 3.416 . 0 0 "[ . 1 . 2]" 1
376 1 33 LYS HA 1 39 TRP HE1 . . 7.000 4.872 4.146 5.391 . 0 0 "[ . 1 . 2]" 1
377 1 33 LYS HA 1 40 ASN H . . 4.010 2.626 2.076 3.482 . 0 0 "[ . 1 . 2]" 1
378 1 33 LYS HA 1 50 MET ME . . 6.190 4.617 3.116 5.126 . 0 0 "[ . 1 . 2]" 1
379 1 33 LYS HB2 1 39 TRP HD1 . . 5.990 3.503 2.134 4.757 . 0 0 "[ . 1 . 2]" 1
380 1 33 LYS HB2 1 39 TRP HE1 . . 5.210 3.959 2.570 5.160 . 0 0 "[ . 1 . 2]" 1
381 1 33 LYS HB3 1 39 TRP HD1 . . 7.000 3.559 2.270 5.190 . 0 0 "[ . 1 . 2]" 1
382 1 33 LYS HB3 1 39 TRP HE1 . . 7.000 4.172 2.436 5.787 . 0 0 "[ . 1 . 2]" 1
383 1 33 LYS HD2 1 39 TRP HE1 . . 7.000 4.097 2.223 6.606 . 0 0 "[ . 1 . 2]" 1
384 1 33 LYS HD2 1 39 TRP HZ2 . . 7.000 4.294 2.470 6.365 . 0 0 "[ . 1 . 2]" 1
385 1 33 LYS HG2 1 39 TRP HD1 . . 7.000 4.231 2.726 5.756 . 0 0 "[ . 1 . 2]" 1
386 1 34 PRO HA 1 35 GLU H . . 3.960 3.372 2.385 3.541 . 0 0 "[ . 1 . 2]" 1
387 1 34 PRO HB2 1 35 GLU H . . 4.150 3.391 2.353 4.396 0.246 20 0 "[ . 1 . 2]" 1
388 1 34 PRO HB3 1 35 GLU H . . 4.330 4.248 3.682 4.613 0.283 20 0 "[ . 1 . 2]" 1
389 1 34 PRO QD 1 40 ASN H . . 7.090 2.592 2.049 3.198 . 0 0 "[ . 1 . 2]" 1
390 1 34 PRO QG 1 40 ASN H . . 7.880 4.205 3.547 4.958 . 0 0 "[ . 1 . 2]" 1
391 1 35 GLU H 1 35 GLU HA . . 2.950 2.854 2.626 2.918 . 0 0 "[ . 1 . 2]" 1
392 1 35 GLU H 1 35 GLU HB2 . . 4.190 2.514 2.133 3.301 . 0 0 "[ . 1 . 2]" 1
393 1 35 GLU H 1 36 GLU H . . 6.030 4.513 4.355 4.671 . 0 0 "[ . 1 . 2]" 1
394 1 35 GLU H 1 38 TRP H . . 7.000 4.959 4.414 5.846 . 0 0 "[ . 1 . 2]" 1
395 1 35 GLU H 1 39 TRP HA . . 6.590 3.902 3.129 5.258 . 0 0 "[ . 1 . 2]" 1
396 1 35 GLU H 1 39 TRP HE1 . . 7.000 5.042 4.198 6.309 . 0 0 "[ . 1 . 2]" 1
397 1 35 GLU H 1 50 MET ME . . 8.030 3.512 2.700 5.065 . 0 0 "[ . 1 . 2]" 1
398 1 35 GLU HA 1 36 GLU H . . 2.630 2.569 2.398 2.680 0.050 20 0 "[ . 1 . 2]" 1
399 1 35 GLU HA 1 36 GLU HG2 . . 5.440 4.632 3.789 5.441 0.001 3 0 "[ . 1 . 2]" 1
400 1 35 GLU HA 1 37 GLN H . . 6.680 4.311 3.998 4.737 . 0 0 "[ . 1 . 2]" 1
401 1 35 GLU HB2 1 36 GLU H . . 4.060 3.698 3.378 4.047 . 0 0 "[ . 1 . 2]" 1
402 1 35 GLU HB2 1 36 GLU HA . . 5.300 5.090 4.784 5.335 0.035 19 0 "[ . 1 . 2]" 1
403 1 35 GLU HB2 1 37 GLN H . . 4.420 3.577 3.170 4.074 . 0 0 "[ . 1 . 2]" 1
404 1 35 GLU HB2 1 37 GLN HB3 . . 7.000 5.438 4.283 6.272 . 0 0 "[ . 1 . 2]" 1
405 1 35 GLU HB2 1 38 TRP H . . 3.460 2.908 2.603 3.477 0.017 20 0 "[ . 1 . 2]" 1
406 1 35 GLU HB2 1 38 TRP HB3 . . 5.020 4.874 4.445 5.083 0.063 15 0 "[ . 1 . 2]" 1
407 1 35 GLU HB2 1 38 TRP HD1 . . 7.000 4.566 3.686 5.861 . 0 0 "[ . 1 . 2]" 1
408 1 35 GLU HB3 1 36 GLU H . . 4.650 2.361 2.119 2.705 . 0 0 "[ . 1 . 2]" 1
409 1 35 GLU HB3 1 38 TRP H . . 6.030 2.760 2.233 3.191 . 0 0 "[ . 1 . 2]" 1
410 1 35 GLU HB3 1 38 TRP HB3 . . 7.000 5.742 4.916 6.313 . 0 0 "[ . 1 . 2]" 1
411 1 35 GLU QG 1 36 GLU H . . 6.270 3.630 2.715 4.172 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLU H 1 36 GLU HA . . 3.000 2.896 2.838 2.919 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLU H 1 36 GLU HG2 . . 5.020 2.970 1.949 4.235 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLU H 1 37 GLN H . . 3.230 2.479 2.056 3.197 . 0 0 "[ . 1 . 2]" 1
415 1 36 GLU HA 1 37 GLN H . . 4.010 3.248 2.657 3.556 . 0 0 "[ . 1 . 2]" 1
416 1 36 GLU HA 1 39 TRP HE1 . . 4.930 2.527 1.922 4.158 . 0 0 "[ . 1 . 2]" 1
417 1 36 GLU HG2 1 37 GLN H . . 6.220 3.994 2.100 6.042 . 0 0 "[ . 1 . 2]" 1
418 1 37 GLN H 1 37 GLN HB2 . . 3.270 2.562 2.081 3.153 . 0 0 "[ . 1 . 2]" 1
419 1 37 GLN H 1 37 GLN HB3 . . 4.380 3.405 2.444 3.782 . 0 0 "[ . 1 . 2]" 1
420 1 37 GLN H 1 37 GLN HG2 . . 4.560 4.176 3.214 4.586 0.026 17 0 "[ . 1 . 2]" 1
421 1 37 GLN H 1 38 TRP H . . 3.370 2.459 2.062 2.711 . 0 0 "[ . 1 . 2]" 1
422 1 37 GLN H 1 38 TRP HD1 . . 7.000 4.016 3.382 4.945 . 0 0 "[ . 1 . 2]" 1
423 1 37 GLN HA 1 53 VAL HB . . 7.000 4.221 3.442 4.678 . 0 0 "[ . 1 . 2]" 1
424 1 37 GLN HA 1 53 VAL MG1 . . 8.030 5.236 4.467 5.553 . 0 0 "[ . 1 . 2]" 1
425 1 37 GLN HA 1 53 VAL MG2 . . 8.030 4.028 3.686 4.420 . 0 0 "[ . 1 . 2]" 1
426 1 37 GLN HB2 1 38 TRP H . . 5.940 2.839 2.220 3.775 . 0 0 "[ . 1 . 2]" 1
427 1 37 GLN HB2 1 38 TRP HA . . 6.260 5.103 4.656 5.710 . 0 0 "[ . 1 . 2]" 1
428 1 37 GLN HB2 1 38 TRP HD1 . . 4.560 2.682 1.997 3.732 . 0 0 "[ . 1 . 2]" 1
429 1 37 GLN HB2 1 53 VAL HB . . 7.000 6.736 6.043 7.057 0.057 20 0 "[ . 1 . 2]" 1
430 1 37 GLN HB3 1 38 TRP HD1 . . 6.130 2.234 1.950 3.493 . 0 0 "[ . 1 . 2]" 1
431 1 37 GLN HB3 1 38 TRP HE1 . . 7.000 3.353 2.769 4.304 . 0 0 "[ . 1 . 2]" 1
432 1 38 TRP H 1 38 TRP HD1 . . 5.250 2.310 1.955 3.122 . 0 0 "[ . 1 . 2]" 1
433 1 38 TRP H 1 39 TRP H . . 6.450 4.524 4.454 4.577 . 0 0 "[ . 1 . 2]" 1
434 1 38 TRP H 1 39 TRP HD1 . . 5.480 4.249 3.659 4.627 . 0 0 "[ . 1 . 2]" 1
435 1 38 TRP HA 1 39 TRP H . . 2.580 2.330 2.240 2.478 . 0 0 "[ . 1 . 2]" 1
436 1 38 TRP HA 1 39 TRP HD1 . . 7.000 4.446 3.898 4.841 . 0 0 "[ . 1 . 2]" 1
437 1 38 TRP HA 1 52 PRO HA . . 3.320 2.724 2.288 3.026 . 0 0 "[ . 1 . 2]" 1
438 1 38 TRP HA 1 53 VAL H . . 3.320 3.052 2.571 3.382 0.062 1 0 "[ . 1 . 2]" 1
439 1 38 TRP HB3 1 39 TRP H . . 4.750 2.933 2.507 3.254 . 0 0 "[ . 1 . 2]" 1
440 1 38 TRP HB3 1 50 MET HB2 . . 7.000 3.504 2.862 4.660 . 0 0 "[ . 1 . 2]" 1
441 1 38 TRP HB3 1 50 MET ME . . 8.030 3.464 2.669 5.291 . 0 0 "[ . 1 . 2]" 1
442 1 38 TRP HE3 1 39 TRP H . . 7.000 4.420 4.074 4.764 . 0 0 "[ . 1 . 2]" 1
443 1 38 TRP HE3 1 50 MET HA . . 7.000 4.589 3.929 4.957 . 0 0 "[ . 1 . 2]" 1
444 1 38 TRP HE3 1 50 MET HB2 . . 4.100 3.813 3.116 4.306 0.206 18 0 "[ . 1 . 2]" 1
445 1 38 TRP HE3 1 50 MET ME . . 6.830 4.987 4.104 5.607 . 0 0 "[ . 1 . 2]" 1
446 1 38 TRP HE3 1 51 ILE H . . 5.990 3.968 3.436 4.547 . 0 0 "[ . 1 . 2]" 1
447 1 38 TRP HE3 1 51 ILE HA . . 7.000 2.519 2.079 3.075 . 0 0 "[ . 1 . 2]" 1
448 1 38 TRP HE3 1 52 PRO HA . . 6.540 3.572 2.817 4.611 . 0 0 "[ . 1 . 2]" 1
449 1 38 TRP HH2 1 52 PRO HA . . 7.000 5.541 4.918 6.243 . 0 0 "[ . 1 . 2]" 1
450 1 38 TRP HH2 1 52 PRO HB3 . . 7.000 3.951 3.082 5.015 . 0 0 "[ . 1 . 2]" 1
451 1 38 TRP HH2 1 52 PRO HG2 . . 7.000 5.119 4.110 5.996 . 0 0 "[ . 1 . 2]" 1
452 1 38 TRP HZ2 1 52 PRO HA . . 7.000 5.518 4.273 6.162 . 0 0 "[ . 1 . 2]" 1
453 1 38 TRP HZ2 1 52 PRO HB3 . . 7.000 4.065 2.492 4.674 . 0 0 "[ . 1 . 2]" 1
454 1 38 TRP HZ2 1 52 PRO HG2 . . 7.000 6.332 4.200 7.022 0.022 5 0 "[ . 1 . 2]" 1
455 1 38 TRP HZ3 1 51 ILE HA . . 5.440 3.196 1.997 4.075 . 0 0 "[ . 1 . 2]" 1
456 1 38 TRP HZ3 1 52 PRO HG2 . . 7.000 4.509 3.695 6.366 . 0 0 "[ . 1 . 2]" 1
457 1 39 TRP H 1 39 TRP HB2 . . 3.500 2.611 2.501 2.798 . 0 0 "[ . 1 . 2]" 1
458 1 39 TRP H 1 50 MET HA . . 3.710 3.824 3.586 4.105 0.395 18 0 "[ . 1 . 2]" 1
459 1 39 TRP H 1 51 ILE H . . 3.270 3.037 2.643 3.290 0.020 15 0 "[ . 1 . 2]" 1
460 1 39 TRP H 1 53 VAL H . . 5.990 4.288 4.034 4.647 . 0 0 "[ . 1 . 2]" 1
461 1 39 TRP HA 1 39 TRP HD1 . . 3.730 2.209 2.027 2.416 . 0 0 "[ . 1 . 2]" 1
462 1 39 TRP HA 1 39 TRP HE1 . . 4.980 4.784 4.618 4.983 0.003 4 0 "[ . 1 . 2]" 1
463 1 39 TRP HA 1 40 ASN H . . 2.860 2.380 2.326 2.458 . 0 0 "[ . 1 . 2]" 1
464 1 39 TRP HA 1 50 MET ME . . 7.520 3.599 2.039 4.600 . 0 0 "[ . 1 . 2]" 1
465 1 39 TRP HB2 1 39 TRP HE3 . . 4.330 2.615 2.397 2.761 . 0 0 "[ . 1 . 2]" 1
466 1 39 TRP HB2 1 40 ASN H . . 4.650 3.912 3.640 4.125 . 0 0 "[ . 1 . 2]" 1
467 1 39 TRP HB2 1 41 ALA MB . . 7.200 3.986 3.819 4.176 . 0 0 "[ . 1 . 2]" 1
468 1 39 TRP HB3 1 40 ASN H . . 3.600 2.764 2.571 2.906 . 0 0 "[ . 1 . 2]" 1
469 1 39 TRP HB3 1 41 ALA MB . . 7.060 4.283 3.827 4.782 . 0 0 "[ . 1 . 2]" 1
470 1 39 TRP HB3 1 53 VAL MG2 . . 8.030 3.753 3.203 4.433 . 0 0 "[ . 1 . 2]" 1
471 1 39 TRP HD1 1 40 ASN H . . 7.000 4.329 3.961 4.688 . 0 0 "[ . 1 . 2]" 1
472 1 39 TRP HE1 1 53 VAL MG1 . . 6.100 4.866 4.437 5.009 . 0 0 "[ . 1 . 2]" 1
473 1 39 TRP HE1 1 53 VAL MG2 . . 8.030 3.494 3.040 3.906 . 0 0 "[ . 1 . 2]" 1
474 1 39 TRP HE3 1 41 ALA MB . . 7.840 4.779 4.520 4.975 . 0 0 "[ . 1 . 2]" 1
475 1 39 TRP HE3 1 53 VAL MG1 . . 7.520 3.295 2.153 4.544 . 0 0 "[ . 1 . 2]" 1
476 1 39 TRP HH2 1 58 LYS HD2 . . 6.490 5.904 4.470 6.542 0.052 17 0 "[ . 1 . 2]" 1
477 1 39 TRP HZ2 1 53 VAL MG1 . . 7.430 3.579 2.961 3.923 . 0 0 "[ . 1 . 2]" 1
478 1 39 TRP HZ2 1 53 VAL MG2 . . 6.740 3.626 2.933 4.347 . 0 0 "[ . 1 . 2]" 1
479 1 39 TRP HZ3 1 53 VAL MG1 . . 8.030 2.660 2.046 3.562 . 0 0 "[ . 1 . 2]" 1
480 1 39 TRP HZ3 1 53 VAL MG2 . . 8.030 3.407 2.962 3.765 . 0 0 "[ . 1 . 2]" 1
481 1 39 TRP HZ3 1 56 VAL MG2 . . 5.870 4.815 4.290 5.006 . 0 0 "[ . 1 . 2]" 1
482 1 39 TRP HZ3 1 58 LYS HD2 . . 6.950 4.893 3.536 6.071 . 0 0 "[ . 1 . 2]" 1
483 1 40 ASN H 1 40 ASN HB2 . . 3.460 2.488 2.120 3.563 0.103 15 0 "[ . 1 . 2]" 1
484 1 40 ASN H 1 40 ASN HB3 . . 3.460 2.778 2.310 3.154 . 0 0 "[ . 1 . 2]" 1
485 1 40 ASN H 1 50 MET HA . . 3.960 4.118 3.987 4.249 0.289 14 0 "[ . 1 . 2]" 1
486 1 40 ASN HA 1 41 ALA H . . 2.540 2.287 2.255 2.329 . 0 0 "[ . 1 . 2]" 1
487 1 40 ASN HA 1 41 ALA MB . . 8.030 4.091 3.995 4.146 . 0 0 "[ . 1 . 2]" 1
488 1 40 ASN HA 1 49 GLY H . . 6.540 3.832 3.692 4.123 . 0 0 "[ . 1 . 2]" 1
489 1 40 ASN HA 1 51 ILE H . . 4.150 3.432 3.198 3.604 . 0 0 "[ . 1 . 2]" 1
490 1 40 ASN HB2 1 41 ALA H . . 5.990 4.574 3.713 4.739 . 0 0 "[ . 1 . 2]" 1
491 1 41 ALA H 1 49 GLY H . . 3.180 3.038 2.798 3.232 0.052 16 0 "[ . 1 . 2]" 1
492 1 41 ALA H 1 50 MET HA . . 3.460 3.428 3.228 3.583 0.123 1 0 "[ . 1 . 2]" 1
493 1 41 ALA H 1 51 ILE H . . 3.230 3.170 2.802 3.352 0.122 19 0 "[ . 1 . 2]" 1
494 1 41 ALA HA 1 42 GLU H . . 2.720 2.592 2.494 2.698 . 0 0 "[ . 1 . 2]" 1
495 1 41 ALA MB 1 42 GLU H . . 4.670 2.293 2.053 2.486 . 0 0 "[ . 1 . 2]" 1
496 1 41 ALA MB 1 42 GLU HA . . 8.030 4.008 3.908 4.085 . 0 0 "[ . 1 . 2]" 1
497 1 41 ALA MB 1 49 GLY H . . 8.030 4.236 4.061 4.448 . 0 0 "[ . 1 . 2]" 1
498 1 41 ALA MB 1 51 ILE H . . 6.000 3.663 3.281 3.923 . 0 0 "[ . 1 . 2]" 1
499 1 42 GLU H 1 42 GLU HB2 . . 3.870 2.431 2.347 2.541 . 0 0 "[ . 1 . 2]" 1
500 1 42 GLU H 1 42 GLU HB3 . . 3.690 3.507 3.228 3.654 . 0 0 "[ . 1 . 2]" 1
501 1 42 GLU H 1 43 ASP H . . 4.300 4.319 4.249 4.419 0.119 6 0 "[ . 1 . 2]" 1
502 1 42 GLU H 1 43 ASP HA . . 5.070 4.777 4.674 4.857 . 0 0 "[ . 1 . 2]" 1
503 1 42 GLU HA 1 43 ASP H . . 2.490 2.208 2.202 2.223 . 0 0 "[ . 1 . 2]" 1
504 1 42 GLU HA 1 48 ARG HA . . 2.540 2.334 2.066 2.537 . 0 0 "[ . 1 . 2]" 1
505 1 42 GLU HA 1 48 ARG HB2 . . 5.940 4.815 4.159 5.426 . 0 0 "[ . 1 . 2]" 1
506 1 42 GLU HA 1 48 ARG HG2 . . 7.000 4.158 3.240 4.910 . 0 0 "[ . 1 . 2]" 1
507 1 42 GLU HA 1 49 GLY H . . 3.830 3.544 3.388 3.724 . 0 0 "[ . 1 . 2]" 1
508 1 42 GLU HB2 1 43 ASP H . . 4.610 4.531 4.428 4.618 0.008 5 0 "[ . 1 . 2]" 1
509 1 42 GLU HB3 1 43 ASP H . . 5.440 3.616 3.423 3.871 . 0 0 "[ . 1 . 2]" 1
510 1 42 GLU HB3 1 46 GLY HA3 . . 4.650 4.708 4.582 4.831 0.181 5 0 "[ . 1 . 2]" 1
511 1 42 GLU HB3 1 48 ARG HA . . 7.000 4.503 4.012 4.858 . 0 0 "[ . 1 . 2]" 1
512 1 42 GLU HB3 1 48 ARG HG2 . . 6.950 5.294 4.124 6.466 . 0 0 "[ . 1 . 2]" 1
513 1 42 GLU HG2 1 43 ASP H . . 5.250 3.815 3.384 4.087 . 0 0 "[ . 1 . 2]" 1
514 1 42 GLU HG2 1 46 GLY H . . 6.080 4.806 3.637 5.523 . 0 0 "[ . 1 . 2]" 1
515 1 42 GLU HG2 1 46 GLY HA2 . . 7.000 3.431 2.329 4.276 . 0 0 "[ . 1 . 2]" 1
516 1 42 GLU HG2 1 46 GLY HA3 . . 5.710 4.690 3.613 5.590 . 0 0 "[ . 1 . 2]" 1
517 1 42 GLU HG2 1 47 LYS H . . 4.190 3.906 3.016 4.268 0.078 11 0 "[ . 1 . 2]" 1
518 1 42 GLU HG2 1 47 LYS HA . . 5.710 4.103 3.458 4.504 . 0 0 "[ . 1 . 2]" 1
519 1 42 GLU HG2 1 48 ARG HG2 . . 5.020 3.336 1.998 5.102 0.082 5 0 "[ . 1 . 2]" 1
520 1 42 GLU HG3 1 43 ASP H . . 5.620 4.792 4.273 5.109 . 0 0 "[ . 1 . 2]" 1
521 1 42 GLU HG3 1 46 GLY H . . 7.000 6.176 5.327 6.619 . 0 0 "[ . 1 . 2]" 1
522 1 42 GLU HG3 1 46 GLY HA2 . . 6.630 4.694 3.748 5.284 . 0 0 "[ . 1 . 2]" 1
523 1 42 GLU HG3 1 46 GLY HA3 . . 7.000 6.068 4.988 6.678 . 0 0 "[ . 1 . 2]" 1
524 1 43 ASP H 1 43 ASP HA . . 3.090 2.808 2.766 2.848 . 0 0 "[ . 1 . 2]" 1
525 1 43 ASP H 1 43 ASP HB2 . . 3.730 2.487 2.004 3.557 . 0 0 "[ . 1 . 2]" 1
526 1 43 ASP H 1 45 GLU H . . 5.340 4.286 3.984 4.412 . 0 0 "[ . 1 . 2]" 1
527 1 43 ASP H 1 46 GLY H . . 4.750 4.467 3.925 4.858 0.108 7 0 "[ . 1 . 2]" 1
528 1 43 ASP H 1 47 LYS H . . 3.320 3.172 2.943 3.349 0.029 13 0 "[ . 1 . 2]" 1
529 1 43 ASP H 1 48 ARG HA . . 3.780 3.900 3.757 4.028 0.248 20 0 "[ . 1 . 2]" 1
530 1 43 ASP HA 1 44 SER H . . 3.000 2.818 2.746 2.910 . 0 0 "[ . 1 . 2]" 1
531 1 43 ASP HA 1 45 GLU H . . 5.020 4.610 4.454 4.766 . 0 0 "[ . 1 . 2]" 1
532 1 43 ASP HA 1 46 GLY H . . 5.800 5.386 5.058 5.756 . 0 0 "[ . 1 . 2]" 1
533 1 43 ASP HB2 1 44 SER H . . 3.550 3.073 1.852 3.618 0.068 19 0 "[ . 1 . 2]" 1
534 1 43 ASP HB3 1 44 SER H . . 3.180 2.391 1.932 3.414 0.234 6 0 "[ . 1 . 2]" 1
535 1 43 ASP HB3 1 45 GLU H . . 6.260 4.128 3.013 5.496 . 0 0 "[ . 1 . 2]" 1
536 1 44 SER H 1 44 SER HA . . 3.000 2.847 2.827 2.875 . 0 0 "[ . 1 . 2]" 1
537 1 44 SER H 1 45 GLU H . . 3.730 3.622 3.301 3.787 0.057 6 0 "[ . 1 . 2]" 1
538 1 44 SER H 1 46 GLY H . . 5.210 4.980 4.781 5.223 0.013 7 0 "[ . 1 . 2]" 1
539 1 44 SER HA 1 45 GLU H . . 3.500 2.602 2.509 2.756 . 0 0 "[ . 1 . 2]" 1
540 1 44 SER HA 1 46 GLY H . . 4.330 3.678 3.597 3.770 . 0 0 "[ . 1 . 2]" 1
541 1 45 GLU H 1 45 GLU HB2 . . 3.230 3.087 3.007 3.187 . 0 0 "[ . 1 . 2]" 1
542 1 45 GLU H 1 46 GLY HA2 . . 3.730 3.694 3.619 3.812 0.082 4 0 "[ . 1 . 2]" 1
543 1 45 GLU H 1 46 GLY HA3 . . 4.000 4.196 4.080 4.322 0.322 4 0 "[ . 1 . 2]" 1
544 1 45 GLU H 1 47 LYS H . . 3.550 2.925 2.664 3.238 . 0 0 "[ . 1 . 2]" 1
545 1 45 GLU HA 1 46 GLY H . . 3.690 3.158 2.980 3.345 . 0 0 "[ . 1 . 2]" 1
546 1 45 GLU HB2 1 46 GLY H . . 4.060 4.058 3.784 4.295 0.235 2 0 "[ . 1 . 2]" 1
547 1 45 GLU HB2 1 47 LYS H . . 3.780 3.644 3.395 3.807 0.027 14 0 "[ . 1 . 2]" 1
548 1 45 GLU HB2 1 47 LYS HG2 . . 7.000 4.606 2.331 5.658 . 0 0 "[ . 1 . 2]" 1
549 1 45 GLU HB2 1 47 LYS HG3 . . 6.360 4.476 2.645 6.361 0.001 5 0 "[ . 1 . 2]" 1
550 1 45 GLU HB3 1 46 GLY H . . 7.000 4.168 3.908 4.334 . 0 0 "[ . 1 . 2]" 1
551 1 46 GLY H 1 46 GLY HA2 . . 2.860 2.256 2.247 2.279 . 0 0 "[ . 1 . 2]" 1
552 1 46 GLY H 1 46 GLY HA3 . . 2.810 2.827 2.742 2.886 0.076 6 0 "[ . 1 . 2]" 1
553 1 46 GLY H 1 47 LYS H . . 3.140 2.594 2.386 2.809 . 0 0 "[ . 1 . 2]" 1
554 1 46 GLY H 1 47 LYS HG2 . . 7.000 5.737 3.711 7.066 0.066 4 0 "[ . 1 . 2]" 1
555 1 46 GLY HA2 1 47 LYS H . . 3.460 3.148 3.036 3.228 . 0 0 "[ . 1 . 2]" 1
556 1 46 GLY HA2 1 47 LYS HA . . 4.730 4.636 4.534 4.740 0.010 16 0 "[ . 1 . 2]" 1
557 1 46 GLY HA3 1 47 LYS H . . 3.450 3.512 3.464 3.570 0.120 14 0 "[ . 1 . 2]" 1
558 1 47 LYS H 1 47 LYS HA . . 3.140 2.894 2.836 2.930 . 0 0 "[ . 1 . 2]" 1
559 1 47 LYS H 1 47 LYS HG3 . . 4.840 3.365 2.294 4.347 . 0 0 "[ . 1 . 2]" 1
560 1 47 LYS H 1 48 ARG H . . 4.210 4.366 4.283 4.466 0.256 7 0 "[ . 1 . 2]" 1
561 1 47 LYS HA 1 48 ARG H . . 2.580 2.189 2.176 2.211 . 0 0 "[ . 1 . 2]" 1
562 1 47 LYS HA 1 48 ARG HG2 . . 7.000 5.700 3.436 6.770 . 0 0 "[ . 1 . 2]" 1
563 1 47 LYS HG3 1 48 ARG H . . 7.000 4.469 2.853 5.728 . 0 0 "[ . 1 . 2]" 1
564 1 48 ARG H 1 48 ARG HB2 . . 3.320 2.415 2.138 3.285 . 0 0 "[ . 1 . 2]" 1
565 1 48 ARG H 1 48 ARG HG3 . . 4.150 3.360 1.929 4.216 0.066 11 0 "[ . 1 . 2]" 1
566 1 48 ARG H 1 49 GLY H . . 5.570 4.460 4.332 4.532 . 0 0 "[ . 1 . 2]" 1
567 1 48 ARG HA 1 49 GLY H . . 2.540 2.232 2.225 2.247 . 0 0 "[ . 1 . 2]" 1
568 1 48 ARG HB2 1 49 GLY H . . 6.450 4.402 3.633 4.652 . 0 0 "[ . 1 . 2]" 1
569 1 48 ARG HB3 1 49 GLY H . . 3.830 3.802 3.435 4.050 0.220 11 0 "[ . 1 . 2]" 1
570 1 48 ARG HG2 1 49 GLY H . . 7.000 4.047 3.161 5.255 . 0 0 "[ . 1 . 2]" 1
571 1 48 ARG HG3 1 49 GLY H . . 6.130 4.441 3.373 5.549 . 0 0 "[ . 1 . 2]" 1
572 1 49 GLY H 1 50 MET H . . 6.590 4.402 4.386 4.407 . 0 0 "[ . 1 . 2]" 1
573 1 50 MET H 1 50 MET ME . . 5.450 4.291 3.011 4.573 . 0 0 "[ . 1 . 2]" 1
574 1 50 MET HA 1 51 ILE H . . 3.040 2.229 2.202 2.283 . 0 0 "[ . 1 . 2]" 1
575 1 50 MET HB2 1 51 ILE H . . 4.330 4.392 4.281 4.657 0.327 17 0 "[ . 1 . 2]" 1
576 1 51 ILE HA 1 52 PRO HD3 . . 7.000 2.052 1.931 2.223 . 0 0 "[ . 1 . 2]" 1
577 1 51 ILE HA 1 52 PRO HG2 . . 6.130 4.708 4.530 4.905 . 0 0 "[ . 1 . 2]" 1
578 1 52 PRO HA 1 53 VAL H . . 2.540 2.175 2.157 2.189 . 0 0 "[ . 1 . 2]" 1
579 1 52 PRO HB2 1 53 VAL H . . 7.000 3.550 3.471 3.668 . 0 0 "[ . 1 . 2]" 1
580 1 52 PRO HB3 1 53 VAL H . . 4.010 3.899 3.843 3.981 . 0 0 "[ . 1 . 2]" 1
581 1 52 PRO HB3 1 55 TYR H . . 5.530 3.959 3.680 4.214 . 0 0 "[ . 1 . 2]" 1
582 1 52 PRO HB3 1 55 TYR HD1 . . 6.950 3.721 3.143 4.428 . 0 0 "[ . 1 . 2]" 1
583 1 52 PRO HB3 1 55 TYR HE1 . . 5.070 4.585 3.866 5.119 0.049 4 0 "[ . 1 . 2]" 1
584 1 52 PRO HG2 1 55 TYR HB2 . . 7.000 1.660 1.553 1.786 . 0 0 "[ . 1 . 2]" 1
585 1 52 PRO HG2 1 55 TYR HD1 . . 7.000 3.925 3.242 4.315 . 0 0 "[ . 1 . 2]" 1
586 1 52 PRO HG2 1 55 TYR HD2 . . 6.490 3.094 2.377 3.729 . 0 0 "[ . 1 . 2]" 1
587 1 52 PRO HG2 1 55 TYR HE1 . . 6.030 5.477 4.696 6.145 0.115 7 0 "[ . 1 . 2]" 1
588 1 52 PRO HG3 1 53 VAL H . . 5.940 5.678 5.642 5.728 . 0 0 "[ . 1 . 2]" 1
589 1 52 PRO HG3 1 55 TYR HB2 . . 6.630 3.170 2.894 3.377 . 0 0 "[ . 1 . 2]" 1
590 1 52 PRO HG3 1 55 TYR HD1 . . 7.000 4.531 3.964 5.008 . 0 0 "[ . 1 . 2]" 1
591 1 52 PRO HG3 1 55 TYR HD2 . . 7.000 3.639 2.925 4.164 . 0 0 "[ . 1 . 2]" 1
592 1 52 PRO HG3 1 55 TYR HE1 . . 7.000 5.349 4.559 6.055 . 0 0 "[ . 1 . 2]" 1
593 1 53 VAL H 1 53 VAL HB . . 3.230 2.385 2.213 2.497 . 0 0 "[ . 1 . 2]" 1
594 1 53 VAL H 1 53 VAL MG1 . . 4.530 3.709 3.640 3.730 . 0 0 "[ . 1 . 2]" 1
595 1 53 VAL H 1 54 PRO QD . . 6.730 1.686 1.639 1.737 . 0 0 "[ . 1 . 2]" 1
596 1 53 VAL HA 1 55 TYR H . . 4.610 3.853 3.607 4.240 . 0 0 "[ . 1 . 2]" 1
597 1 53 VAL HA 1 56 VAL H . . 4.380 3.725 3.127 4.027 . 0 0 "[ . 1 . 2]" 1
598 1 53 VAL HA 1 56 VAL MG1 . . 4.670 3.725 3.521 3.871 . 0 0 "[ . 1 . 2]" 1
599 1 53 VAL HA 1 56 VAL MG2 . . 8.030 1.942 1.762 2.135 . 0 0 "[ . 1 . 2]" 1
600 1 53 VAL MG1 1 56 VAL MG2 . . 9.060 2.897 2.686 3.105 . 0 0 "[ . 1 . 2]" 1
601 1 54 PRO HA 1 54 PRO HB3 . . 2.770 2.303 2.301 2.304 . 0 0 "[ . 1 . 2]" 1
602 1 54 PRO HA 1 55 TYR H . . 4.100 3.389 3.322 3.471 . 0 0 "[ . 1 . 2]" 1
603 1 54 PRO HA 1 55 TYR HD1 . . 7.000 4.248 4.135 4.454 . 0 0 "[ . 1 . 2]" 1
604 1 54 PRO HA 1 56 VAL H . . 4.750 3.496 3.369 4.035 . 0 0 "[ . 1 . 2]" 1
605 1 54 PRO HB2 1 55 TYR H . . 6.030 3.697 3.414 3.878 . 0 0 "[ . 1 . 2]" 1
606 1 54 PRO HB2 1 55 TYR HD1 . . 7.000 2.760 2.441 3.106 . 0 0 "[ . 1 . 2]" 1
607 1 54 PRO HB3 1 55 TYR HD1 . . 7.000 4.218 3.954 4.471 . 0 0 "[ . 1 . 2]" 1
608 1 54 PRO HB3 1 55 TYR HE1 . . 5.760 5.225 4.832 5.643 . 0 0 "[ . 1 . 2]" 1
609 1 55 TYR H 1 55 TYR HB2 . . 3.370 2.090 2.040 2.137 . 0 0 "[ . 1 . 2]" 1
610 1 55 TYR H 1 55 TYR HB3 . . 4.150 3.405 3.362 3.437 . 0 0 "[ . 1 . 2]" 1
611 1 55 TYR H 1 56 VAL MG1 . . 6.560 3.546 3.276 3.759 . 0 0 "[ . 1 . 2]" 1
612 1 55 TYR H 1 56 VAL MG2 . . 7.570 3.378 3.134 3.722 . 0 0 "[ . 1 . 2]" 1
613 1 55 TYR HA 1 56 VAL H . . 3.320 3.235 3.076 3.492 0.172 1 0 "[ . 1 . 2]" 1
614 1 55 TYR HB2 1 56 VAL H . . 4.380 3.680 3.090 3.959 . 0 0 "[ . 1 . 2]" 1
615 1 55 TYR HB2 1 56 VAL MG1 . . 8.030 3.031 2.774 3.250 . 0 0 "[ . 1 . 2]" 1
616 1 55 TYR HB3 1 56 VAL H . . 5.480 4.203 3.763 4.357 . 0 0 "[ . 1 . 2]" 1
617 1 55 TYR HB3 1 56 VAL MG2 . . 8.030 4.836 4.625 5.029 . 0 0 "[ . 1 . 2]" 1
618 1 56 VAL HA 1 57 GLU H . . 3.140 2.544 2.467 2.651 . 0 0 "[ . 1 . 2]" 1
619 1 56 VAL HB 1 57 GLU H . . 3.140 2.373 2.226 2.551 . 0 0 "[ . 1 . 2]" 1
620 1 56 VAL HB 1 57 GLU HG3 . . 4.980 4.079 3.935 4.303 . 0 0 "[ . 1 . 2]" 1
621 1 56 VAL MG1 1 57 GLU H . . 8.030 3.775 3.627 3.944 . 0 0 "[ . 1 . 2]" 1
622 1 56 VAL MG2 1 57 GLU H . . 7.060 3.241 2.895 3.573 . 0 0 "[ . 1 . 2]" 1
623 1 56 VAL MG2 1 58 LYS HD2 . . 5.960 4.480 3.733 4.829 . 0 0 "[ . 1 . 2]" 1
624 1 57 GLU H 1 57 GLU HG2 . . 5.670 3.042 2.365 3.396 . 0 0 "[ . 1 . 2]" 1
625 1 57 GLU H 1 57 GLU HG3 . . 4.930 1.882 1.772 2.025 . 0 0 "[ . 1 . 2]" 1
626 1 57 GLU H 1 58 LYS H . . 4.410 4.463 4.430 4.522 0.112 9 0 "[ . 1 . 2]" 1
627 1 57 GLU H 1 58 LYS HD2 . . 5.850 5.534 5.059 5.926 0.076 1 0 "[ . 1 . 2]" 1
628 1 57 GLU HA 1 57 GLU HB2 . . 3.140 2.599 2.461 2.814 . 0 0 "[ . 1 . 2]" 1
629 1 57 GLU HA 1 57 GLU HB3 . . 3.140 2.363 2.257 2.476 . 0 0 "[ . 1 . 2]" 1
630 1 57 GLU HA 1 58 LYS H . . 2.490 2.524 2.391 2.650 0.160 14 0 "[ . 1 . 2]" 1
631 1 57 GLU HB2 1 58 LYS H . . 2.950 2.433 2.192 2.952 0.002 9 0 "[ . 1 . 2]" 1
632 1 57 GLU HB3 1 58 LYS H . . 3.500 3.614 3.369 3.802 0.302 8 0 "[ . 1 . 2]" 1
633 1 57 GLU HG2 1 58 LYS H . . 7.000 5.008 4.525 5.239 . 0 0 "[ . 1 . 2]" 1
634 1 58 LYS H 1 58 LYS HA . . 3.090 2.900 2.887 2.915 . 0 0 "[ . 1 . 2]" 1
635 1 58 LYS H 1 58 LYS HD2 . . 6.030 3.046 2.106 4.216 . 0 0 "[ . 1 . 2]" 1
636 1 58 LYS H 1 59 TYR H . . 5.800 4.509 4.370 4.575 . 0 0 "[ . 1 . 2]" 1
637 1 58 LYS HA 1 59 TYR H . . 2.950 2.201 2.176 2.261 . 0 0 "[ . 1 . 2]" 1
638 1 58 LYS QB 1 59 TYR H . . 5.440 3.275 2.970 3.531 . 0 0 "[ . 1 . 2]" 1
639 1 58 LYS HD2 1 59 TYR H . . 7.000 5.190 3.701 6.031 . 0 0 "[ . 1 . 2]" 1
640 1 59 TYR H 1 59 TYR HB2 . . 3.640 2.244 1.933 3.400 . 0 0 "[ . 1 . 2]" 1
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