NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430792 |
2joy   |
15210 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2joy
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 1081
_Distance_constraint_stats_list.Viol_count 750
_Distance_constraint_stats_list.Viol_total 964.384
_Distance_constraint_stats_list.Viol_max 0.428
_Distance_constraint_stats_list.Viol_rms 0.0161
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0643
_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 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.628 0.201 2 0 "[ . 1 . 2]"
1 4 ILE 1.973 0.201 2 0 "[ . 1 . 2]"
1 5 GLU 0.687 0.073 4 0 "[ . 1 . 2]"
1 6 VAL 0.018 0.018 7 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.817 0.100 14 0 "[ . 1 . 2]"
1 9 ILE 0.019 0.019 4 0 "[ . 1 . 2]"
1 10 CYS 0.722 0.182 18 0 "[ . 1 . 2]"
1 11 VAL 1.998 0.182 18 0 "[ . 1 . 2]"
1 12 LYS 2.217 0.153 12 0 "[ . 1 . 2]"
1 13 VAL 0.974 0.236 5 0 "[ . 1 . 2]"
1 14 LYS 0.624 0.236 5 0 "[ . 1 . 2]"
1 18 ALA 0.656 0.098 17 0 "[ . 1 . 2]"
1 19 GLY 0.450 0.091 17 0 "[ . 1 . 2]"
1 20 SER 0.573 0.101 15 0 "[ . 1 . 2]"
1 21 LYS 0.784 0.140 10 0 "[ . 1 . 2]"
1 22 CYS 1.119 0.102 16 0 "[ . 1 . 2]"
1 23 VAL 0.862 0.102 16 0 "[ . 1 . 2]"
1 24 ILE 0.189 0.060 5 0 "[ . 1 . 2]"
1 25 VAL 0.615 0.085 11 0 "[ . 1 . 2]"
1 26 ASP 0.461 0.083 7 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 0.162 0.097 15 0 "[ . 1 . 2]"
1 29 ASP 1.489 0.251 3 0 "[ . 1 . 2]"
1 30 ASP 1.873 0.251 3 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 PHE 0.862 0.152 7 0 "[ . 1 . 2]"
1 33 VAL 1.046 0.202 7 0 "[ . 1 . 2]"
1 34 LEU 0.664 0.202 7 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 THR 0.175 0.124 10 0 "[ . 1 . 2]"
1 37 GLY 0.254 0.057 5 0 "[ . 1 . 2]"
1 38 PRO 0.060 0.060 6 0 "[ . 1 . 2]"
1 39 LYS 1.380 0.428 6 0 "[ . 1 . 2]"
1 40 ASP 2.147 0.428 6 0 "[ . 1 . 2]"
1 41 ILE 0.185 0.086 5 0 "[ . 1 . 2]"
1 42 THR 0.422 0.130 18 0 "[ . 1 . 2]"
1 44 VAL 0.169 0.072 17 0 "[ . 1 . 2]"
1 45 LYS 0.138 0.072 17 0 "[ . 1 . 2]"
1 46 ARG 0.175 0.124 10 0 "[ . 1 . 2]"
1 47 ARG 0.006 0.006 6 0 "[ . 1 . 2]"
1 48 ARG 0.025 0.019 15 0 "[ . 1 . 2]"
1 49 VAL 1.152 0.154 5 0 "[ . 1 . 2]"
1 50 ASN 1.499 0.309 12 0 "[ . 1 . 2]"
1 51 ILE 2.616 0.214 2 0 "[ . 1 . 2]"
1 52 LEU 0.926 0.214 2 0 "[ . 1 . 2]"
1 53 HIS 0.331 0.097 19 0 "[ . 1 . 2]"
1 54 LEU 0.327 0.097 19 0 "[ . 1 . 2]"
1 55 GLU 1.082 0.163 13 0 "[ . 1 . 2]"
1 56 PRO 0.046 0.046 9 0 "[ . 1 . 2]"
1 57 THR 0.285 0.099 1 0 "[ . 1 . 2]"
1 58 ASP 0.260 0.099 1 0 "[ . 1 . 2]"
1 59 LYS 0.600 0.095 20 0 "[ . 1 . 2]"
1 60 LYS 2.503 0.263 20 0 "[ . 1 . 2]"
1 61 ILE 1.096 0.221 19 0 "[ . 1 . 2]"
1 62 ASP 0.937 0.221 19 0 "[ . 1 . 2]"
1 63 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.470 0.087 13 0 "[ . 1 . 2]"
1 65 LYS 0.018 0.018 20 0 "[ . 1 . 2]"
1 67 ALA 0.136 0.053 1 0 "[ . 1 . 2]"
1 68 SER 0.242 0.053 12 0 "[ . 1 . 2]"
1 69 ASP 0.563 0.097 8 0 "[ . 1 . 2]"
1 70 GLU 2.712 0.215 17 0 "[ . 1 . 2]"
1 71 GLU 2.504 0.375 8 0 "[ . 1 . 2]"
1 72 VAL 0.918 0.123 8 0 "[ . 1 . 2]"
1 73 LYS 1.509 0.162 8 0 "[ . 1 . 2]"
1 74 LYS 1.348 0.150 5 0 "[ . 1 . 2]"
1 75 LYS 1.911 0.150 5 0 "[ . 1 . 2]"
1 76 LEU 1.083 0.118 19 0 "[ . 1 . 2]"
1 77 GLU 1.680 0.316 19 0 "[ . 1 . 2]"
1 78 GLU 1.030 0.123 10 0 "[ . 1 . 2]"
1 79 SER 2.324 0.157 16 0 "[ . 1 . 2]"
1 80 ASN 0.058 0.030 8 0 "[ . 1 . 2]"
1 81 LEU 0.246 0.084 17 0 "[ . 1 . 2]"
1 82 THR 0.672 0.184 17 0 "[ . 1 . 2]"
1 83 GLU 2.673 0.184 17 0 "[ . 1 . 2]"
1 84 TYR 0.914 0.128 3 0 "[ . 1 . 2]"
1 85 MET 1.233 0.203 3 0 "[ . 1 . 2]"
1 86 LYS 0.879 0.334 19 0 "[ . 1 . 2]"
1 87 GLU 1.182 0.165 10 0 "[ . 1 . 2]"
1 88 LYS 1.346 0.218 18 0 "[ . 1 . 2]"
1 89 ILE 2.413 0.324 16 0 "[ . 1 . 2]"
1 90 LYS 2.370 0.191 18 0 "[ . 1 . 2]"
1 91 ILE 1.505 0.330 3 0 "[ . 1 . 2]"
1 92 ARG 0.137 0.039 3 0 "[ . 1 . 2]"
1 93 MET 0.021 0.021 9 0 "[ . 1 . 2]"
1 94 PRO 0.301 0.076 9 0 "[ . 1 . 2]"
1 95 THR 0.600 0.131 16 0 "[ . 1 . 2]"
1 96 LEU 0.299 0.131 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 2 PRO HA 1 3 ALA H . . 2.740 2.183 2.129 2.260 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO QB 1 3 ALA H . . 4.210 3.508 2.897 3.696 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO QD 1 3 ALA H . . 5.590 4.801 4.681 4.943 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA H 1 4 ILE H . . 4.350 4.174 3.186 4.551 0.201 2 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 4 ILE H . . 2.900 2.297 2.116 2.757 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA MB 1 4 ILE MD . . 7.560 3.952 2.688 4.825 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE H 1 4 ILE HB . . 3.520 3.297 2.460 3.697 0.177 7 0 "[ . 1 . 2]" 1
8 1 4 ILE H 1 4 ILE HG12 . . 5.030 3.271 2.439 5.091 0.061 11 0 "[ . 1 . 2]" 1
9 1 4 ILE H 1 4 ILE QG . . 4.710 2.926 2.409 4.395 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE H 1 4 ILE HG13 . . 5.030 3.960 2.899 4.805 . 0 0 "[ . 1 . 2]" 1
11 1 4 ILE HA 1 4 ILE MD . . 4.300 2.483 1.928 3.828 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE HA 1 5 GLU H . . 2.560 2.248 2.109 2.619 0.059 1 0 "[ . 1 . 2]" 1
13 1 4 ILE HA 1 24 ILE MD . . 6.000 2.948 1.971 4.224 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE HA 1 24 ILE QG . . 5.290 4.880 4.123 5.350 0.060 5 0 "[ . 1 . 2]" 1
15 1 4 ILE HB 1 5 GLU H . . 4.510 4.377 3.093 4.583 0.073 11 0 "[ . 1 . 2]" 1
16 1 4 ILE HB 1 24 ILE MD . . 6.530 4.459 2.032 5.436 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE MD 1 5 GLU H . . 6.530 4.269 3.638 5.459 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE MD 1 24 ILE MD . . 6.810 3.242 1.766 5.177 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE MD 1 51 ILE QG . . 7.100 4.210 2.599 6.546 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE MD 1 56 PRO HD2 . . 6.530 4.895 3.551 6.433 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE MD 1 56 PRO HD3 . . 6.530 3.820 2.179 5.189 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE MD 1 56 PRO QG . . 5.300 3.303 2.061 4.957 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE QG 1 5 GLU H . . 6.380 4.583 4.079 4.839 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE QG 1 24 ILE MD . . 7.410 3.891 2.587 5.182 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE QG 1 56 PRO QG . . 7.250 4.015 2.182 6.258 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MG 1 5 GLU H . . 6.190 3.492 2.993 4.136 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE MG 1 5 GLU HA . . 6.530 3.844 3.357 5.311 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE MG 1 24 ILE MD . . 6.410 2.381 1.745 4.328 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE MG 1 24 ILE QG . . 7.410 3.902 1.995 6.162 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLU H 1 5 GLU HG2 . . 4.910 3.737 2.199 4.862 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU H 1 5 GLU HG3 . . 4.910 3.890 2.200 4.817 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLU H 1 8 ARG H . . 4.260 4.222 3.884 4.333 0.073 4 0 "[ . 1 . 2]" 1
33 1 5 GLU H 1 8 ARG HB2 . . 4.230 3.329 2.153 4.151 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLU H 1 8 ARG HB3 . . 3.490 3.062 2.612 3.547 0.057 19 0 "[ . 1 . 2]" 1
35 1 5 GLU H 1 24 ILE MD . . 5.190 3.056 2.294 4.633 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLU HA 1 6 VAL H . . 3.080 2.414 2.137 2.806 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLU HA 1 27 ILE MD . . 5.040 3.289 1.791 4.949 . 0 0 "[ . 1 . 2]" 1
38 1 5 GLU QB 1 6 VAL H . . 4.190 2.750 1.940 3.595 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLU HB2 1 6 VAL H . . 4.540 3.360 1.949 4.330 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLU HB3 1 6 VAL H . . 4.540 3.338 2.386 3.943 . 0 0 "[ . 1 . 2]" 1
41 1 5 GLU QG 1 8 ARG H . . 6.380 4.668 2.744 6.001 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLU HG2 1 6 VAL H . . 5.500 3.767 1.750 5.158 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLU HG3 1 6 VAL H . . 5.500 3.635 2.359 5.030 . 0 0 "[ . 1 . 2]" 1
44 1 6 VAL H 1 6 VAL HB . . 3.830 3.513 2.544 3.638 . 0 0 "[ . 1 . 2]" 1
45 1 6 VAL H 1 27 ILE MD . . 5.810 3.680 2.193 5.057 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 27 ILE QG . . 6.380 4.644 3.281 6.002 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL HA 1 8 ARG H . . 4.170 3.407 3.146 3.674 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL HA 1 24 ILE HB . . 5.340 2.970 2.294 3.628 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL HA 1 24 ILE MG . . 4.950 2.996 2.260 4.304 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL HA 1 63 ILE MD . . 6.530 4.368 3.306 6.527 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL HB 1 24 ILE MG . . 6.530 4.626 3.685 5.639 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL MG1 1 26 ASP H . . 6.500 4.257 3.259 6.518 0.018 7 0 "[ . 1 . 2]" 1
53 1 6 VAL MG1 1 27 ILE H . . 6.530 4.066 2.554 5.528 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL MG1 1 27 ILE MD . . 7.560 2.913 1.941 4.096 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL MG1 1 27 ILE HG12 . . 6.030 3.866 2.392 5.259 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL MG1 1 27 ILE QG . . 5.680 3.092 1.880 4.403 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL MG1 1 27 ILE HG13 . . 6.030 3.469 1.892 5.020 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL MG1 1 65 LYS H . . 6.530 4.034 2.956 5.297 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL MG1 1 65 LYS HA . . 5.660 2.505 1.779 3.407 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL MG1 1 65 LYS HB2 . . 5.540 2.798 1.790 3.735 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL MG1 1 65 LYS QB . . 5.390 2.736 1.784 3.577 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL MG1 1 65 LYS HB3 . . 5.540 4.037 3.401 4.575 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL MG1 1 65 LYS QE . . 6.690 4.203 2.677 4.851 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL MG1 1 65 LYS QG . . 6.630 2.488 1.760 3.460 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL MG2 1 24 ILE MD . . 7.560 5.944 5.226 6.566 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL MG2 1 27 ILE QG . . 7.160 4.716 2.077 6.005 . 0 0 "[ . 1 . 2]" 1
67 1 6 VAL MG2 1 63 ILE QG . . 6.110 3.418 1.974 4.943 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL MG2 1 64 GLN H . . 6.530 4.919 3.815 6.489 . 0 0 "[ . 1 . 2]" 1
69 1 6 VAL MG2 1 64 GLN HA . . 6.530 3.486 2.274 4.618 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL MG2 1 65 LYS H . . 5.910 3.410 2.606 4.228 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL MG2 1 65 LYS HA . . 5.230 3.094 1.740 4.957 . 0 0 "[ . 1 . 2]" 1
72 1 6 VAL MG2 1 65 LYS QB . . 7.410 2.958 1.957 4.387 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL MG2 1 67 ALA MB . . 7.560 5.193 3.382 6.323 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLY QA 1 23 VAL QG . . 6.780 2.586 1.958 3.696 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLY QA 1 63 ILE MD . . 6.100 2.484 1.897 3.984 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLY QA 1 63 ILE QG . . 6.320 2.273 1.808 4.742 . 0 0 "[ . 1 . 2]" 1
77 1 7 GLY HA2 1 23 VAL MG1 . . 8.440 3.029 1.977 5.217 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY HA2 1 23 VAL MG2 . . 8.440 4.265 2.215 5.538 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY HA2 1 61 ILE MD . . 6.530 3.223 2.699 4.486 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLY HA2 1 63 ILE MD . . 6.430 2.575 1.918 4.261 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY HA2 1 63 ILE HG12 . . 7.250 2.860 1.900 5.744 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLY HA2 1 63 ILE HG13 . . 7.250 3.742 2.769 6.382 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLY HA3 1 23 VAL MG1 . . 8.440 4.363 3.394 6.460 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY HA3 1 23 VAL MG2 . . 8.440 5.547 3.525 6.878 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY HA3 1 61 ILE MD . . 6.530 4.171 3.668 4.868 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLY HA3 1 63 ILE MD . . 6.430 3.343 2.682 4.789 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLY HA3 1 63 ILE HG12 . . 7.250 2.749 1.878 5.715 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLY HA3 1 63 ILE HG13 . . 7.250 3.540 2.436 6.259 . 0 0 "[ . 1 . 2]" 1
89 1 8 ARG H 1 8 ARG HB2 . . 3.020 2.592 2.407 2.815 . 0 0 "[ . 1 . 2]" 1
90 1 8 ARG H 1 8 ARG HB3 . . 2.870 2.649 2.489 2.793 . 0 0 "[ . 1 . 2]" 1
91 1 8 ARG H 1 8 ARG HG2 . . 5.100 4.576 4.434 4.693 . 0 0 "[ . 1 . 2]" 1
92 1 8 ARG H 1 8 ARG QG . . 4.620 4.049 3.984 4.106 . 0 0 "[ . 1 . 2]" 1
93 1 8 ARG H 1 8 ARG HG3 . . 5.100 4.519 4.433 4.731 . 0 0 "[ . 1 . 2]" 1
94 1 8 ARG H 1 9 ILE H . . 4.760 4.424 4.194 4.555 . 0 0 "[ . 1 . 2]" 1
95 1 8 ARG H 1 23 VAL QG . . 7.220 3.596 2.943 4.511 . 0 0 "[ . 1 . 2]" 1
96 1 8 ARG H 1 24 ILE MD . . 6.160 4.102 3.238 5.752 . 0 0 "[ . 1 . 2]" 1
97 1 8 ARG HA 1 9 ILE H . . 2.800 2.153 2.100 2.191 . 0 0 "[ . 1 . 2]" 1
98 1 8 ARG HA 1 60 LYS HA . . 3.610 2.781 1.815 3.710 0.100 14 0 "[ . 1 . 2]" 1
99 1 8 ARG HA 1 60 LYS QB . . 5.420 2.788 1.789 4.780 . 0 0 "[ . 1 . 2]" 1
100 1 8 ARG HA 1 60 LYS QG . . 6.070 3.289 2.061 5.288 . 0 0 "[ . 1 . 2]" 1
101 1 8 ARG HB2 1 24 ILE MD . . 6.530 4.376 2.735 6.309 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG QG 1 9 ILE H . . 6.380 2.979 2.412 4.329 . 0 0 "[ . 1 . 2]" 1
103 1 9 ILE H 1 9 ILE HB . . 3.450 2.527 2.410 2.630 . 0 0 "[ . 1 . 2]" 1
104 1 9 ILE H 1 9 ILE HG12 . . 5.500 3.377 2.148 4.051 . 0 0 "[ . 1 . 2]" 1
105 1 9 ILE H 1 9 ILE QG . . 5.010 2.445 1.925 3.358 . 0 0 "[ . 1 . 2]" 1
106 1 9 ILE H 1 9 ILE HG13 . . 5.500 2.738 1.939 3.742 . 0 0 "[ . 1 . 2]" 1
107 1 9 ILE HA 1 10 CYS H . . 2.650 2.168 2.130 2.241 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE MD 1 10 CYS H . . 6.530 4.804 3.637 5.246 . 0 0 "[ . 1 . 2]" 1
109 1 9 ILE MD 1 60 LYS H . . 6.530 4.944 3.472 6.549 0.019 4 0 "[ . 1 . 2]" 1
110 1 9 ILE MD 1 61 ILE H . . 6.030 3.693 2.622 5.402 . 0 0 "[ . 1 . 2]" 1
111 1 9 ILE MD 1 61 ILE QG . . 6.510 3.192 1.988 5.119 . 0 0 "[ . 1 . 2]" 1
112 1 9 ILE MD 1 81 LEU MD2 . . 6.470 3.492 1.789 5.654 . 0 0 "[ . 1 . 2]" 1
113 1 9 ILE MD 1 84 TYR QD . . 8.670 4.306 2.284 6.914 . 0 0 "[ . 1 . 2]" 1
114 1 9 ILE MD 1 84 TYR QE . . 8.660 4.586 2.232 7.959 . 0 0 "[ . 1 . 2]" 1
115 1 9 ILE MD 1 85 MET ME . . 7.560 3.302 1.777 5.132 . 0 0 "[ . 1 . 2]" 1
116 1 9 ILE MG 1 10 CYS H . . 5.010 2.628 2.292 3.027 . 0 0 "[ . 1 . 2]" 1
117 1 9 ILE MG 1 22 CYS H . . 6.530 3.296 2.806 4.078 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE MG 1 23 VAL HA . . 6.250 3.852 3.272 4.810 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE MG 1 84 TYR QD . . 8.670 4.217 2.963 5.471 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE MG 1 84 TYR QE . . 7.570 3.669 1.925 6.117 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE MG 1 85 MET HA . . 6.530 4.634 3.592 5.553 . 0 0 "[ . 1 . 2]" 1
122 1 9 ILE MG 1 85 MET ME . . 7.120 2.636 1.793 3.580 . 0 0 "[ . 1 . 2]" 1
123 1 10 CYS H 1 10 CYS HB2 . . 4.170 3.214 2.575 3.798 . 0 0 "[ . 1 . 2]" 1
124 1 10 CYS H 1 10 CYS QB . . 3.770 2.855 2.529 3.193 . 0 0 "[ . 1 . 2]" 1
125 1 10 CYS H 1 10 CYS HB3 . . 4.170 3.526 3.096 3.866 . 0 0 "[ . 1 . 2]" 1
126 1 10 CYS H 1 11 VAL H . . 4.820 4.430 4.205 4.536 . 0 0 "[ . 1 . 2]" 1
127 1 10 CYS H 1 22 CYS H . . 3.420 3.166 2.791 3.448 0.028 6 0 "[ . 1 . 2]" 1
128 1 10 CYS HA 1 11 VAL H . . 2.800 2.268 2.098 2.432 . 0 0 "[ . 1 . 2]" 1
129 1 10 CYS HA 1 11 VAL MG1 . . 6.530 3.683 3.367 3.877 . 0 0 "[ . 1 . 2]" 1
130 1 10 CYS HA 1 56 PRO HA . . 3.080 2.225 1.703 3.126 0.046 9 0 "[ . 1 . 2]" 1
131 1 10 CYS HA 1 57 THR H . . 3.580 2.768 2.089 3.648 0.068 4 0 "[ . 1 . 2]" 1
132 1 10 CYS HA 1 57 THR MG . . 5.850 3.472 2.217 5.233 . 0 0 "[ . 1 . 2]" 1
133 1 10 CYS QB 1 11 VAL H . . 3.630 2.759 2.405 3.133 . 0 0 "[ . 1 . 2]" 1
134 1 10 CYS QB 1 54 LEU QB . . 6.750 2.727 1.805 4.290 . 0 0 "[ . 1 . 2]" 1
135 1 10 CYS QB 1 54 LEU QD . . 7.090 2.376 1.682 3.219 . 0 0 "[ . 1 . 2]" 1
136 1 10 CYS HB2 1 11 VAL H . . 3.860 3.320 2.436 4.042 0.182 18 0 "[ . 1 . 2]" 1
137 1 10 CYS HB2 1 54 LEU MD1 . . 8.710 3.128 1.959 5.674 . 0 0 "[ . 1 . 2]" 1
138 1 10 CYS HB2 1 54 LEU MD2 . . 8.710 3.202 2.156 5.088 . 0 0 "[ . 1 . 2]" 1
139 1 10 CYS HB3 1 11 VAL H . . 3.860 3.351 2.606 3.939 0.079 10 0 "[ . 1 . 2]" 1
140 1 10 CYS HB3 1 54 LEU MD1 . . 8.710 3.794 1.943 6.223 . 0 0 "[ . 1 . 2]" 1
141 1 10 CYS HB3 1 54 LEU MD2 . . 8.710 3.839 2.256 6.177 . 0 0 "[ . 1 . 2]" 1
142 1 11 VAL H 1 11 VAL HB . . 3.550 3.043 2.705 3.448 . 0 0 "[ . 1 . 2]" 1
143 1 11 VAL H 1 55 GLU H . . 3.610 3.190 2.665 3.642 0.032 9 0 "[ . 1 . 2]" 1
144 1 11 VAL H 1 57 THR MG . . 6.530 3.685 2.460 5.571 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL HA 1 12 LYS H . . 2.900 2.232 2.113 2.340 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL HA 1 21 LYS HA . . 3.420 2.472 2.095 2.807 . 0 0 "[ . 1 . 2]" 1
147 1 11 VAL HA 1 22 CYS H . . 4.010 3.402 3.083 4.027 0.017 3 0 "[ . 1 . 2]" 1
148 1 11 VAL HA 1 57 THR MG . . 6.530 4.913 3.767 6.532 0.002 19 0 "[ . 1 . 2]" 1
149 1 11 VAL HB 1 12 LYS H . . 3.950 3.993 3.971 4.021 0.071 6 0 "[ . 1 . 2]" 1
150 1 11 VAL HB 1 57 THR MG . . 5.810 3.347 2.215 4.785 . 0 0 "[ . 1 . 2]" 1
151 1 11 VAL MG1 1 12 LYS H . . 6.530 3.699 3.489 3.943 . 0 0 "[ . 1 . 2]" 1
152 1 11 VAL MG1 1 21 LYS HA . . 6.530 4.876 3.815 5.384 . 0 0 "[ . 1 . 2]" 1
153 1 11 VAL MG1 1 21 LYS QE . . 6.230 5.278 2.585 6.370 0.140 10 0 "[ . 1 . 2]" 1
154 1 11 VAL MG1 1 21 LYS HG2 . . 5.780 4.606 2.810 5.800 0.020 11 0 "[ . 1 . 2]" 1
155 1 11 VAL MG1 1 21 LYS QG . . 5.540 4.202 2.769 4.795 . 0 0 "[ . 1 . 2]" 1
156 1 11 VAL MG1 1 21 LYS HG3 . . 5.780 5.167 4.184 5.833 0.053 17 0 "[ . 1 . 2]" 1
157 1 11 VAL MG1 1 22 CYS H . . 6.530 5.615 4.739 6.216 . 0 0 "[ . 1 . 2]" 1
158 1 11 VAL MG1 1 57 THR MG . . 6.220 2.857 1.858 4.059 . 0 0 "[ . 1 . 2]" 1
159 1 11 VAL MG2 1 12 LYS H . . 5.780 2.218 2.054 2.457 . 0 0 "[ . 1 . 2]" 1
160 1 11 VAL MG2 1 18 ALA HA . . 6.530 3.910 2.091 5.651 . 0 0 "[ . 1 . 2]" 1
161 1 11 VAL MG2 1 19 GLY HA2 . . 5.970 4.065 2.446 5.293 . 0 0 "[ . 1 . 2]" 1
162 1 11 VAL MG2 1 19 GLY QA . . 5.690 3.910 2.408 4.955 . 0 0 "[ . 1 . 2]" 1
163 1 11 VAL MG2 1 19 GLY HA3 . . 5.970 5.163 3.595 6.004 0.034 8 0 "[ . 1 . 2]" 1
164 1 11 VAL MG2 1 20 SER H . . 6.530 3.513 3.000 5.221 . 0 0 "[ . 1 . 2]" 1
165 1 11 VAL MG2 1 21 LYS H . . 6.530 4.424 3.461 4.990 . 0 0 "[ . 1 . 2]" 1
166 1 11 VAL MG2 1 21 LYS HA . . 6.530 3.156 2.476 3.909 . 0 0 "[ . 1 . 2]" 1
167 1 11 VAL MG2 1 21 LYS QE . . 6.540 3.765 2.818 5.336 . 0 0 "[ . 1 . 2]" 1
168 1 12 LYS H 1 12 LYS HB2 . . 3.800 2.603 2.206 3.953 0.153 12 0 "[ . 1 . 2]" 1
169 1 12 LYS H 1 12 LYS QB . . 3.520 2.386 2.183 2.908 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS H 1 12 LYS HB3 . . 3.800 3.212 2.577 3.620 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS H 1 21 LYS HA . . 4.480 3.653 2.987 4.476 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS HA 1 12 LYS HD2 . . 5.500 3.817 2.007 5.509 0.009 2 0 "[ . 1 . 2]" 1
173 1 12 LYS HA 1 12 LYS HD3 . . 5.500 3.775 2.001 5.273 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS HA 1 12 LYS HE2 . . 5.070 4.486 3.084 5.158 0.088 9 0 "[ . 1 . 2]" 1
175 1 12 LYS HA 1 12 LYS HE3 . . 5.070 4.503 2.736 5.139 0.069 3 0 "[ . 1 . 2]" 1
176 1 12 LYS HA 1 13 VAL H . . 3.020 2.237 2.125 2.580 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS HB2 1 18 ALA HA . . 5.500 4.456 1.798 5.598 0.098 17 0 "[ . 1 . 2]" 1
178 1 12 LYS HB2 1 20 SER H . . 5.500 4.166 3.044 5.554 0.054 9 0 "[ . 1 . 2]" 1
179 1 12 LYS HB3 1 18 ALA HA . . 5.500 4.461 2.069 5.575 0.075 18 0 "[ . 1 . 2]" 1
180 1 12 LYS HB3 1 20 SER H . . 5.500 4.627 2.859 5.572 0.072 4 0 "[ . 1 . 2]" 1
181 1 13 VAL H 1 14 LYS H . . 3.020 2.749 1.838 3.256 0.236 5 0 "[ . 1 . 2]" 1
182 1 13 VAL H 1 54 LEU HA . . 4.320 3.235 2.127 4.375 0.055 12 0 "[ . 1 . 2]" 1
183 1 13 VAL HA 1 13 VAL HB . . 3.020 2.624 2.385 3.030 0.010 9 0 "[ . 1 . 2]" 1
184 1 13 VAL HA 1 18 ALA MB . . 4.950 3.783 2.127 5.024 0.074 15 0 "[ . 1 . 2]" 1
185 1 13 VAL QG 1 14 LYS H . . 7.500 2.912 1.912 3.743 . 0 0 "[ . 1 . 2]" 1
186 1 13 VAL QG 1 53 HIS HA . . 5.580 3.642 2.611 4.732 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL QG 1 54 LEU HA . . 8.090 2.831 1.846 3.664 . 0 0 "[ . 1 . 2]" 1
188 1 13 VAL QG 1 55 GLU QB . . 5.050 2.786 1.904 4.473 . 0 0 "[ . 1 . 2]" 1
189 1 13 VAL QG 1 55 GLU QG . . 6.000 2.333 1.820 3.637 . 0 0 "[ . 1 . 2]" 1
190 1 13 VAL MG1 1 53 HIS HA . . 6.530 4.760 2.943 6.576 0.046 4 0 "[ . 1 . 2]" 1
191 1 13 VAL MG1 1 55 GLU H . . 6.530 3.728 2.535 5.657 . 0 0 "[ . 1 . 2]" 1
192 1 13 VAL MG1 1 55 GLU HB2 . . 6.060 3.496 1.931 5.801 . 0 0 "[ . 1 . 2]" 1
193 1 13 VAL MG1 1 55 GLU HB3 . . 6.060 4.329 3.033 6.057 . 0 0 "[ . 1 . 2]" 1
194 1 13 VAL MG1 1 55 GLU HG2 . . 6.530 3.862 2.069 6.076 . 0 0 "[ . 1 . 2]" 1
195 1 13 VAL MG1 1 55 GLU HG3 . . 6.530 3.054 2.012 6.003 . 0 0 "[ . 1 . 2]" 1
196 1 13 VAL MG2 1 53 HIS HA . . 6.530 4.512 2.628 6.563 0.033 1 0 "[ . 1 . 2]" 1
197 1 13 VAL MG2 1 55 GLU H . . 6.530 3.984 2.291 5.837 . 0 0 "[ . 1 . 2]" 1
198 1 13 VAL MG2 1 55 GLU HB2 . . 6.060 3.816 1.963 5.947 . 0 0 "[ . 1 . 2]" 1
199 1 13 VAL MG2 1 55 GLU HB3 . . 6.060 4.542 2.327 5.788 . 0 0 "[ . 1 . 2]" 1
200 1 13 VAL MG2 1 55 GLU HG2 . . 6.530 4.113 2.722 5.415 . 0 0 "[ . 1 . 2]" 1
201 1 13 VAL MG2 1 55 GLU HG3 . . 6.530 3.239 1.871 5.540 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS H 1 14 LYS HG2 . . 5.500 4.301 2.039 5.084 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS H 1 14 LYS HG3 . . 5.500 4.413 3.345 4.972 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS HA 1 14 LYS HD2 . . 5.500 3.868 2.187 4.818 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS HA 1 14 LYS HD3 . . 5.500 3.922 1.994 4.785 . 0 0 "[ . 1 . 2]" 1
206 1 18 ALA HA 1 20 SER H . . 4.010 3.491 3.035 4.086 0.076 6 0 "[ . 1 . 2]" 1
207 1 19 GLY QA 1 89 ILE H . . 3.920 2.920 1.793 3.818 . 0 0 "[ . 1 . 2]" 1
208 1 19 GLY QA 1 89 ILE HB . . 6.380 2.817 1.740 4.910 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLY QA 1 91 ILE MD . . 7.410 4.745 2.461 7.418 0.008 10 0 "[ . 1 . 2]" 1
210 1 19 GLY HA2 1 89 ILE H . . 4.260 3.436 1.801 4.302 0.042 15 0 "[ . 1 . 2]" 1
211 1 19 GLY HA3 1 89 ILE H . . 4.260 3.443 1.799 4.351 0.091 17 0 "[ . 1 . 2]" 1
212 1 20 SER H 1 20 SER QB . . 3.760 2.727 2.328 3.374 . 0 0 "[ . 1 . 2]" 1
213 1 20 SER HA 1 21 LYS H . . 2.960 2.198 2.133 2.439 . 0 0 "[ . 1 . 2]" 1
214 1 20 SER QB 1 44 VAL MG2 . . 6.540 3.714 2.391 5.895 . 0 0 "[ . 1 . 2]" 1
215 1 20 SER HB2 1 21 LYS H . . 4.410 3.997 2.788 4.511 0.101 15 0 "[ . 1 . 2]" 1
216 1 20 SER HB3 1 21 LYS H . . 4.410 3.694 2.511 4.417 0.007 20 0 "[ . 1 . 2]" 1
217 1 21 LYS H 1 21 LYS HB2 . . 4.110 2.578 2.314 3.039 . 0 0 "[ . 1 . 2]" 1
218 1 21 LYS H 1 21 LYS HB3 . . 4.110 3.698 3.560 3.820 . 0 0 "[ . 1 . 2]" 1
219 1 21 LYS H 1 22 CYS H . . 4.850 4.494 4.399 4.591 . 0 0 "[ . 1 . 2]" 1
220 1 21 LYS HA 1 22 CYS H . . 2.740 2.241 2.165 2.361 . 0 0 "[ . 1 . 2]" 1
221 1 21 LYS HA 1 85 MET ME . . 6.530 4.633 3.959 6.344 . 0 0 "[ . 1 . 2]" 1
222 1 21 LYS QB 1 22 CYS H . . 3.780 2.878 2.636 3.165 . 0 0 "[ . 1 . 2]" 1
223 1 21 LYS QB 1 85 MET HA . . 6.380 3.758 2.847 4.465 . 0 0 "[ . 1 . 2]" 1
224 1 21 LYS HB2 1 21 LYS HE2 . . 5.500 4.079 1.972 4.965 . 0 0 "[ . 1 . 2]" 1
225 1 21 LYS HB2 1 21 LYS HE3 . . 5.500 3.835 1.961 4.661 . 0 0 "[ . 1 . 2]" 1
226 1 21 LYS HB2 1 22 CYS H . . 4.380 3.939 3.319 4.221 . 0 0 "[ . 1 . 2]" 1
227 1 21 LYS HB3 1 21 LYS HE2 . . 5.500 4.446 2.750 4.880 . 0 0 "[ . 1 . 2]" 1
228 1 21 LYS HB3 1 21 LYS HE3 . . 5.500 4.350 3.245 5.490 . 0 0 "[ . 1 . 2]" 1
229 1 21 LYS HB3 1 22 CYS H . . 4.380 2.962 2.710 3.269 . 0 0 "[ . 1 . 2]" 1
230 1 21 LYS QD 1 85 MET HA . . 4.430 2.773 2.060 4.214 . 0 0 "[ . 1 . 2]" 1
231 1 21 LYS HD2 1 85 MET HA . . 4.790 3.335 2.131 4.657 . 0 0 "[ . 1 . 2]" 1
232 1 21 LYS HD3 1 85 MET HA . . 4.790 3.556 2.263 4.851 0.061 10 0 "[ . 1 . 2]" 1
233 1 21 LYS QE 1 57 THR MG . . 7.410 5.121 3.310 7.110 . 0 0 "[ . 1 . 2]" 1
234 1 21 LYS QE 1 84 TYR QE . . 8.510 4.102 2.750 5.660 . 0 0 "[ . 1 . 2]" 1
235 1 21 LYS QE 1 89 ILE MD . . 6.660 3.888 2.225 6.719 0.059 17 0 "[ . 1 . 2]" 1
236 1 21 LYS QG 1 22 CYS H . . 6.380 4.092 3.755 4.425 . 0 0 "[ . 1 . 2]" 1
237 1 22 CYS H 1 85 MET ME . . 5.910 4.100 3.167 5.644 . 0 0 "[ . 1 . 2]" 1
238 1 22 CYS HA 1 23 VAL H . . 3.170 2.297 2.202 2.370 . 0 0 "[ . 1 . 2]" 1
239 1 22 CYS HA 1 23 VAL HB . . 4.790 4.616 4.362 4.749 . 0 0 "[ . 1 . 2]" 1
240 1 22 CYS HA 1 37 GLY HA2 . . 4.320 3.466 2.020 4.355 0.035 14 0 "[ . 1 . 2]" 1
241 1 22 CYS HA 1 37 GLY QA . . 3.950 3.181 1.990 3.889 . 0 0 "[ . 1 . 2]" 1
242 1 22 CYS HA 1 37 GLY HA3 . . 4.320 3.830 2.994 4.377 0.057 5 0 "[ . 1 . 2]" 1
243 1 22 CYS HA 1 44 VAL MG2 . . 6.530 4.159 3.078 5.885 . 0 0 "[ . 1 . 2]" 1
244 1 22 CYS HA 1 85 MET ME . . 5.190 3.488 2.609 5.220 0.030 3 0 "[ . 1 . 2]" 1
245 1 22 CYS QB 1 23 VAL H . . 3.550 2.648 2.489 2.822 . 0 0 "[ . 1 . 2]" 1
246 1 22 CYS QB 1 35 VAL HB . . 5.320 2.087 1.779 2.728 . 0 0 "[ . 1 . 2]" 1
247 1 22 CYS QB 1 35 VAL QG . . 7.240 2.601 2.021 3.177 . 0 0 "[ . 1 . 2]" 1
248 1 22 CYS QB 1 44 VAL MG1 . . 6.220 3.726 2.990 5.275 . 0 0 "[ . 1 . 2]" 1
249 1 22 CYS QB 1 44 VAL MG2 . . 7.350 4.738 3.948 5.591 . 0 0 "[ . 1 . 2]" 1
250 1 22 CYS HB2 1 23 VAL H . . 3.730 3.589 2.558 3.832 0.102 16 0 "[ . 1 . 2]" 1
251 1 22 CYS HB2 1 35 VAL HB . . 5.500 2.860 1.786 3.845 . 0 0 "[ . 1 . 2]" 1
252 1 22 CYS HB2 1 35 VAL MG1 . . 8.280 3.525 3.140 4.086 . 0 0 "[ . 1 . 2]" 1
253 1 22 CYS HB2 1 35 VAL MG2 . . 8.280 3.316 2.734 4.415 . 0 0 "[ . 1 . 2]" 1
254 1 22 CYS HB2 1 44 VAL MG1 . . 6.530 4.714 3.879 6.254 . 0 0 "[ . 1 . 2]" 1
255 1 22 CYS HB3 1 23 VAL H . . 3.730 2.879 2.531 3.768 0.038 3 0 "[ . 1 . 2]" 1
256 1 22 CYS HB3 1 35 VAL HB . . 5.500 2.375 1.796 3.730 . 0 0 "[ . 1 . 2]" 1
257 1 22 CYS HB3 1 35 VAL MG1 . . 8.280 3.721 2.908 4.956 . 0 0 "[ . 1 . 2]" 1
258 1 22 CYS HB3 1 35 VAL MG2 . . 8.280 3.062 2.141 3.834 . 0 0 "[ . 1 . 2]" 1
259 1 22 CYS HB3 1 44 VAL MG1 . . 6.530 3.923 3.062 5.683 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL H 1 23 VAL HB . . 3.050 2.717 2.564 3.096 0.046 1 0 "[ . 1 . 2]" 1
261 1 23 VAL H 1 36 THR H . . 3.360 2.779 2.461 3.138 . 0 0 "[ . 1 . 2]" 1
262 1 23 VAL H 1 85 MET ME . . 6.530 4.112 3.278 5.618 . 0 0 "[ . 1 . 2]" 1
263 1 23 VAL HA 1 24 ILE H . . 2.870 2.189 2.142 2.281 . 0 0 "[ . 1 . 2]" 1
264 1 23 VAL HA 1 85 MET ME . . 6.530 4.648 3.553 5.526 . 0 0 "[ . 1 . 2]" 1
265 1 23 VAL HB 1 24 ILE H . . 5.500 4.108 3.957 4.248 . 0 0 "[ . 1 . 2]" 1
266 1 23 VAL HB 1 36 THR H . . 5.500 3.993 3.369 5.414 . 0 0 "[ . 1 . 2]" 1
267 1 23 VAL HB 1 36 THR MG . . 5.630 3.815 2.070 5.353 . 0 0 "[ . 1 . 2]" 1
268 1 23 VAL QG 1 24 ILE H . . 8.090 2.541 2.177 2.833 . 0 0 "[ . 1 . 2]" 1
269 1 23 VAL QG 1 24 ILE HB . . 8.090 3.907 3.695 4.187 . 0 0 "[ . 1 . 2]" 1
270 1 23 VAL QG 1 38 PRO QD . . 8.970 3.132 2.417 4.115 . 0 0 "[ . 1 . 2]" 1
271 1 23 VAL QG 1 85 MET ME . . 9.120 2.501 1.954 3.326 . 0 0 "[ . 1 . 2]" 1
272 1 24 ILE H 1 24 ILE HB . . 3.240 2.559 2.484 2.610 . 0 0 "[ . 1 . 2]" 1
273 1 24 ILE H 1 24 ILE HG12 . . 5.500 3.478 3.249 4.063 . 0 0 "[ . 1 . 2]" 1
274 1 24 ILE H 1 24 ILE QG . . 5.020 2.285 1.990 3.268 . 0 0 "[ . 1 . 2]" 1
275 1 24 ILE H 1 24 ILE HG13 . . 5.500 2.330 2.006 3.444 . 0 0 "[ . 1 . 2]" 1
276 1 24 ILE HA 1 25 VAL H . . 2.870 2.168 2.130 2.219 . 0 0 "[ . 1 . 2]" 1
277 1 24 ILE HA 1 25 VAL MG1 . . 6.530 4.326 3.663 5.515 . 0 0 "[ . 1 . 2]" 1
278 1 24 ILE HA 1 25 VAL QG . . 6.170 3.493 3.270 3.756 . 0 0 "[ . 1 . 2]" 1
279 1 24 ILE HA 1 25 VAL MG2 . . 6.530 3.965 3.546 5.469 . 0 0 "[ . 1 . 2]" 1
280 1 24 ILE HA 1 35 VAL HA . . 3.520 2.620 2.207 3.166 . 0 0 "[ . 1 . 2]" 1
281 1 24 ILE HA 1 35 VAL QG . . 6.170 2.182 1.772 2.752 . 0 0 "[ . 1 . 2]" 1
282 1 24 ILE MD 1 25 VAL H . . 6.530 5.276 4.867 5.523 . 0 0 "[ . 1 . 2]" 1
283 1 24 ILE MD 1 33 VAL HB . . 6.530 4.238 2.929 5.460 . 0 0 "[ . 1 . 2]" 1
284 1 24 ILE QG 1 25 VAL H . . 6.380 4.296 4.150 4.424 . 0 0 "[ . 1 . 2]" 1
285 1 24 ILE QG 1 33 VAL QG . . 7.300 2.811 2.300 3.893 . 0 0 "[ . 1 . 2]" 1
286 1 24 ILE HG12 1 33 VAL MG1 . . 9.280 4.183 3.034 5.091 . 0 0 "[ . 1 . 2]" 1
287 1 24 ILE HG12 1 33 VAL MG2 . . 9.280 2.961 2.342 4.201 . 0 0 "[ . 1 . 2]" 1
288 1 24 ILE HG13 1 33 VAL MG1 . . 9.280 5.380 4.391 6.484 . 0 0 "[ . 1 . 2]" 1
289 1 24 ILE HG13 1 33 VAL MG2 . . 9.280 4.217 2.616 5.683 . 0 0 "[ . 1 . 2]" 1
290 1 24 ILE MG 1 25 VAL H . . 5.500 2.996 2.586 3.324 . 0 0 "[ . 1 . 2]" 1
291 1 24 ILE MG 1 25 VAL HA . . 6.530 3.936 3.661 4.277 . 0 0 "[ . 1 . 2]" 1
292 1 24 ILE MG 1 26 ASP H . . 5.100 3.043 2.477 3.489 . 0 0 "[ . 1 . 2]" 1
293 1 24 ILE MG 1 26 ASP HA . . 6.530 4.161 3.677 4.533 . 0 0 "[ . 1 . 2]" 1
294 1 24 ILE MG 1 27 ILE QG . . 7.410 2.842 2.233 3.567 . 0 0 "[ . 1 . 2]" 1
295 1 24 ILE MG 1 33 VAL HB . . 5.570 2.569 2.005 4.003 . 0 0 "[ . 1 . 2]" 1
296 1 25 VAL H 1 26 ASP H . . 3.520 2.149 1.947 2.430 . 0 0 "[ . 1 . 2]" 1
297 1 25 VAL H 1 35 VAL HA . . 3.420 2.840 2.438 3.204 . 0 0 "[ . 1 . 2]" 1
298 1 25 VAL H 1 35 VAL QG . . 8.090 3.638 3.151 4.203 . 0 0 "[ . 1 . 2]" 1
299 1 25 VAL HA 1 25 VAL HB . . 2.930 2.637 2.418 3.015 0.085 11 0 "[ . 1 . 2]" 1
300 1 25 VAL HA 1 67 ALA MB . . 5.940 3.933 2.016 5.174 . 0 0 "[ . 1 . 2]" 1
301 1 25 VAL HB 1 26 ASP H . . 4.540 3.566 2.389 4.120 . 0 0 "[ . 1 . 2]" 1
302 1 25 VAL HB 1 67 ALA H . . 4.940 3.986 2.394 4.993 0.053 1 0 "[ . 1 . 2]" 1
303 1 25 VAL HB 1 67 ALA MB . . 6.530 3.989 1.784 5.618 . 0 0 "[ . 1 . 2]" 1
304 1 25 VAL QG 1 26 ASP H . . 6.040 2.622 2.186 3.425 . 0 0 "[ . 1 . 2]" 1
305 1 25 VAL QG 1 26 ASP QB . . 8.040 2.630 2.389 3.342 . 0 0 "[ . 1 . 2]" 1
306 1 25 VAL QG 1 34 LEU QB . . 7.990 3.174 2.339 4.608 . 0 0 "[ . 1 . 2]" 1
307 1 25 VAL QG 1 34 LEU QD . . 10.690 2.529 1.861 3.923 . 0 0 "[ . 1 . 2]" 1
308 1 25 VAL QG 1 34 LEU HG . . 7.680 3.748 2.204 5.660 . 0 0 "[ . 1 . 2]" 1
309 1 25 VAL QG 1 35 VAL HA . . 8.090 3.044 2.533 3.689 . 0 0 "[ . 1 . 2]" 1
310 1 25 VAL QG 1 36 THR H . . 8.090 3.114 2.344 3.804 . 0 0 "[ . 1 . 2]" 1
311 1 25 VAL QG 1 67 ALA H . . 6.240 3.075 1.811 4.436 . 0 0 "[ . 1 . 2]" 1
312 1 25 VAL MG1 1 26 ASP H . . 6.530 3.637 2.209 4.128 . 0 0 "[ . 1 . 2]" 1
313 1 25 VAL MG1 1 26 ASP HB2 . . 9.650 4.169 2.534 5.272 . 0 0 "[ . 1 . 2]" 1
314 1 25 VAL MG1 1 26 ASP HB3 . . 9.650 4.728 2.935 6.003 . 0 0 "[ . 1 . 2]" 1
315 1 25 VAL MG1 1 34 LEU HB2 . . 9.650 6.085 3.886 7.007 . 0 0 "[ . 1 . 2]" 1
316 1 25 VAL MG1 1 34 LEU HB3 . . 9.650 4.728 2.593 5.706 . 0 0 "[ . 1 . 2]" 1
317 1 25 VAL MG1 1 36 THR HB . . 6.530 4.291 2.755 5.945 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL MG1 1 36 THR MG . . 7.560 2.613 1.972 4.719 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL MG1 1 67 ALA H . . 6.530 3.677 1.813 4.960 . 0 0 "[ . 1 . 2]" 1
320 1 25 VAL MG1 1 67 ALA MB . . 7.560 3.193 1.999 5.541 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL MG2 1 26 ASP H . . 6.530 3.036 2.195 3.922 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL MG2 1 26 ASP HB2 . . 9.650 3.615 2.456 5.303 . 0 0 "[ . 1 . 2]" 1
323 1 25 VAL MG2 1 26 ASP HB3 . . 9.650 3.918 2.583 5.820 . 0 0 "[ . 1 . 2]" 1
324 1 25 VAL MG2 1 34 LEU HB2 . . 9.650 5.174 3.756 6.845 . 0 0 "[ . 1 . 2]" 1
325 1 25 VAL MG2 1 34 LEU HB3 . . 9.650 3.820 2.370 5.568 . 0 0 "[ . 1 . 2]" 1
326 1 25 VAL MG2 1 36 THR HB . . 6.530 3.748 2.413 5.185 . 0 0 "[ . 1 . 2]" 1
327 1 25 VAL MG2 1 36 THR MG . . 7.560 2.410 1.785 3.424 . 0 0 "[ . 1 . 2]" 1
328 1 25 VAL MG2 1 67 ALA H . . 6.530 4.083 1.888 6.097 . 0 0 "[ . 1 . 2]" 1
329 1 25 VAL MG2 1 67 ALA MB . . 7.560 3.901 1.874 5.559 . 0 0 "[ . 1 . 2]" 1
330 1 26 ASP H 1 26 ASP HB2 . . 4.040 3.278 3.028 3.481 . 0 0 "[ . 1 . 2]" 1
331 1 26 ASP H 1 26 ASP QB . . 3.850 2.704 2.557 2.842 . 0 0 "[ . 1 . 2]" 1
332 1 26 ASP H 1 26 ASP HB3 . . 4.040 2.892 2.666 3.153 . 0 0 "[ . 1 . 2]" 1
333 1 26 ASP H 1 33 VAL QG . . 8.090 4.695 3.305 5.213 . 0 0 "[ . 1 . 2]" 1
334 1 26 ASP H 1 34 LEU H . . 3.450 3.429 3.109 3.533 0.083 7 0 "[ . 1 . 2]" 1
335 1 26 ASP H 1 34 LEU QB . . 6.380 2.782 2.297 3.140 . 0 0 "[ . 1 . 2]" 1
336 1 26 ASP H 1 34 LEU QD . . 8.100 3.714 3.307 4.020 . 0 0 "[ . 1 . 2]" 1
337 1 26 ASP HA 1 27 ILE H . . 2.930 2.208 2.110 2.457 . 0 0 "[ . 1 . 2]" 1
338 1 26 ASP HA 1 27 ILE MD . . 6.530 4.414 2.737 5.136 . 0 0 "[ . 1 . 2]" 1
339 1 26 ASP HA 1 27 ILE QG . . 6.380 3.672 3.246 4.848 . 0 0 "[ . 1 . 2]" 1
340 1 26 ASP QB 1 34 LEU QB . . 5.680 2.057 1.767 2.785 . 0 0 "[ . 1 . 2]" 1
341 1 26 ASP QB 1 34 LEU QD . . 7.460 2.478 1.938 3.460 . 0 0 "[ . 1 . 2]" 1
342 1 26 ASP HB2 1 27 ILE H . . 4.820 4.101 3.906 4.360 . 0 0 "[ . 1 . 2]" 1
343 1 26 ASP HB2 1 34 LEU HB2 . . 7.090 4.732 4.076 5.259 . 0 0 "[ . 1 . 2]" 1
344 1 26 ASP HB2 1 34 LEU HB3 . . 7.090 3.601 3.140 4.319 . 0 0 "[ . 1 . 2]" 1
345 1 26 ASP HB2 1 34 LEU MD1 . . 9.170 4.623 2.686 5.593 . 0 0 "[ . 1 . 2]" 1
346 1 26 ASP HB2 1 34 LEU MD2 . . 9.170 3.787 2.459 5.978 . 0 0 "[ . 1 . 2]" 1
347 1 26 ASP HB3 1 27 ILE H . . 4.820 3.959 3.132 4.352 . 0 0 "[ . 1 . 2]" 1
348 1 26 ASP HB3 1 34 LEU HB2 . . 7.090 3.056 2.598 3.504 . 0 0 "[ . 1 . 2]" 1
349 1 26 ASP HB3 1 34 LEU HB3 . . 7.090 2.131 1.783 3.081 . 0 0 "[ . 1 . 2]" 1
350 1 26 ASP HB3 1 34 LEU MD1 . . 9.170 3.686 2.311 4.609 . 0 0 "[ . 1 . 2]" 1
351 1 26 ASP HB3 1 34 LEU MD2 . . 9.170 3.095 1.990 4.755 . 0 0 "[ . 1 . 2]" 1
352 1 27 ILE H 1 27 ILE HB . . 3.490 2.593 2.481 2.691 . 0 0 "[ . 1 . 2]" 1
353 1 27 ILE H 1 27 ILE HG12 . . 5.500 3.462 2.279 4.398 . 0 0 "[ . 1 . 2]" 1
354 1 27 ILE H 1 27 ILE HG13 . . 5.500 3.144 2.239 4.248 . 0 0 "[ . 1 . 2]" 1
355 1 27 ILE HA 1 28 ILE H . . 2.870 2.163 2.128 2.276 . 0 0 "[ . 1 . 2]" 1
356 1 27 ILE HA 1 33 VAL HA . . 4.170 2.853 2.473 3.531 . 0 0 "[ . 1 . 2]" 1
357 1 27 ILE HA 1 33 VAL MG1 . . 6.530 2.569 1.887 4.874 . 0 0 "[ . 1 . 2]" 1
358 1 27 ILE HA 1 33 VAL QG . . 5.370 2.418 1.884 3.073 . 0 0 "[ . 1 . 2]" 1
359 1 27 ILE HA 1 33 VAL MG2 . . 6.530 4.418 2.072 5.012 . 0 0 "[ . 1 . 2]" 1
360 1 27 ILE HA 1 34 LEU H . . 3.950 3.240 2.844 3.658 . 0 0 "[ . 1 . 2]" 1
361 1 27 ILE MD 1 28 ILE H . . 6.530 4.837 3.785 5.527 . 0 0 "[ . 1 . 2]" 1
362 1 27 ILE QG 1 28 ILE H . . 6.380 4.441 4.199 4.848 . 0 0 "[ . 1 . 2]" 1
363 1 27 ILE MG 1 28 ILE H . . 5.380 3.092 2.797 3.545 . 0 0 "[ . 1 . 2]" 1
364 1 27 ILE MG 1 28 ILE HB . . 6.530 4.756 4.473 5.020 . 0 0 "[ . 1 . 2]" 1
365 1 27 ILE MG 1 29 ASP HA . . 6.000 3.983 3.234 4.528 . 0 0 "[ . 1 . 2]" 1
366 1 27 ILE MG 1 30 ASP HA . . 6.530 3.722 3.055 4.182 . 0 0 "[ . 1 . 2]" 1
367 1 27 ILE MG 1 33 VAL HA . . 6.220 3.811 3.172 4.487 . 0 0 "[ . 1 . 2]" 1
368 1 28 ILE H 1 28 ILE HB . . 3.580 2.565 2.478 2.648 . 0 0 "[ . 1 . 2]" 1
369 1 28 ILE H 1 28 ILE HG12 . . 5.500 3.189 2.147 4.168 . 0 0 "[ . 1 . 2]" 1
370 1 28 ILE H 1 28 ILE HG13 . . 5.500 3.072 1.957 3.773 . 0 0 "[ . 1 . 2]" 1
371 1 28 ILE H 1 29 ASP H . . 3.050 2.523 2.238 2.715 . 0 0 "[ . 1 . 2]" 1
372 1 28 ILE H 1 33 VAL QG . . 8.090 3.100 1.790 3.662 . 0 0 "[ . 1 . 2]" 1
373 1 28 ILE H 1 34 LEU H . . 4.110 3.429 3.135 4.030 . 0 0 "[ . 1 . 2]" 1
374 1 28 ILE HB 1 29 ASP H . . 2.960 2.228 1.928 2.594 . 0 0 "[ . 1 . 2]" 1
375 1 28 ILE HB 1 32 PHE HB2 . . 5.030 3.737 2.054 5.054 0.024 14 0 "[ . 1 . 2]" 1
376 1 28 ILE HB 1 32 PHE HB3 . . 5.440 3.576 2.383 4.791 . 0 0 "[ . 1 . 2]" 1
377 1 28 ILE MD 1 29 ASP H . . 6.530 4.126 3.327 4.609 . 0 0 "[ . 1 . 2]" 1
378 1 28 ILE MD 1 32 PHE HB3 . . 5.630 4.563 3.049 5.727 0.097 15 0 "[ . 1 . 2]" 1
379 1 28 ILE MD 1 33 VAL HA . . 6.530 3.565 2.352 4.879 . 0 0 "[ . 1 . 2]" 1
380 1 28 ILE MD 1 34 LEU H . . 6.530 3.512 2.477 4.416 . 0 0 "[ . 1 . 2]" 1
381 1 28 ILE MD 1 34 LEU MD1 . . 7.310 3.061 1.783 4.543 . 0 0 "[ . 1 . 2]" 1
382 1 28 ILE MD 1 34 LEU QD . . 6.970 2.643 1.781 3.429 . 0 0 "[ . 1 . 2]" 1
383 1 28 ILE MD 1 34 LEU MD2 . . 7.310 3.576 2.321 4.793 . 0 0 "[ . 1 . 2]" 1
384 1 28 ILE MD 1 48 ARG HA . . 6.280 4.665 3.274 5.968 . 0 0 "[ . 1 . 2]" 1
385 1 28 ILE MD 1 48 ARG QB . . 7.220 3.927 2.243 5.973 . 0 0 "[ . 1 . 2]" 1
386 1 28 ILE MD 1 48 ARG HD2 . . 6.530 3.920 2.045 6.168 . 0 0 "[ . 1 . 2]" 1
387 1 28 ILE MD 1 48 ARG QD . . 5.930 3.250 1.981 5.308 . 0 0 "[ . 1 . 2]" 1
388 1 28 ILE MD 1 48 ARG HD3 . . 6.530 3.750 2.655 5.889 . 0 0 "[ . 1 . 2]" 1
389 1 28 ILE MD 1 48 ARG QG . . 7.410 3.428 2.365 5.409 . 0 0 "[ . 1 . 2]" 1
390 1 28 ILE QG 1 33 VAL HA . . 6.320 3.448 2.567 4.822 . 0 0 "[ . 1 . 2]" 1
391 1 28 ILE HG12 1 29 ASP H . . 5.500 4.489 3.922 5.062 . 0 0 "[ . 1 . 2]" 1
392 1 28 ILE HG13 1 29 ASP H . . 5.500 4.395 3.811 4.854 . 0 0 "[ . 1 . 2]" 1
393 1 28 ILE MG 1 29 ASP H . . 5.690 3.202 2.886 3.512 . 0 0 "[ . 1 . 2]" 1
394 1 28 ILE MG 1 32 PHE HB2 . . 6.340 4.081 2.568 5.497 . 0 0 "[ . 1 . 2]" 1
395 1 28 ILE MG 1 32 PHE HB3 . . 6.030 4.136 2.949 5.192 . 0 0 "[ . 1 . 2]" 1
396 1 28 ILE MG 1 48 ARG HD2 . . 6.530 4.332 2.979 5.395 . 0 0 "[ . 1 . 2]" 1
397 1 28 ILE MG 1 48 ARG HD3 . . 6.530 4.234 1.765 5.630 . 0 0 "[ . 1 . 2]" 1
398 1 29 ASP H 1 30 ASP H . . 5.340 4.310 4.121 4.481 . 0 0 "[ . 1 . 2]" 1
399 1 29 ASP HA 1 30 ASP H . . 3.210 2.736 2.449 2.991 . 0 0 "[ . 1 . 2]" 1
400 1 29 ASP QB 1 30 ASP H . . 3.200 2.328 1.789 3.164 . 0 0 "[ . 1 . 2]" 1
401 1 29 ASP HB2 1 30 ASP H . . 3.420 3.283 1.826 3.671 0.251 3 0 "[ . 1 . 2]" 1
402 1 29 ASP HB3 1 30 ASP H . . 3.420 2.557 1.799 3.455 0.035 3 0 "[ . 1 . 2]" 1
403 1 30 ASP H 1 30 ASP HB2 . . 3.550 2.587 2.213 3.645 0.095 3 0 "[ . 1 . 2]" 1
404 1 30 ASP H 1 30 ASP QB . . 3.210 2.314 2.191 2.521 . 0 0 "[ . 1 . 2]" 1
405 1 30 ASP H 1 30 ASP HB3 . . 3.550 2.899 2.414 3.622 0.072 9 0 "[ . 1 . 2]" 1
406 1 30 ASP H 1 31 ASN H . . 3.300 2.411 2.105 2.675 . 0 0 "[ . 1 . 2]" 1
407 1 30 ASP QB 1 31 ASN H . . 4.390 2.828 2.171 3.684 . 0 0 "[ . 1 . 2]" 1
408 1 30 ASP HB2 1 31 ASN H . . 4.790 3.628 2.645 4.274 . 0 0 "[ . 1 . 2]" 1
409 1 30 ASP HB3 1 31 ASN H . . 4.790 3.198 2.188 4.206 . 0 0 "[ . 1 . 2]" 1
410 1 31 ASN H 1 31 ASN HB2 . . 3.730 2.720 2.344 3.124 . 0 0 "[ . 1 . 2]" 1
411 1 31 ASN H 1 31 ASN QB . . 3.380 2.434 2.263 2.549 . 0 0 "[ . 1 . 2]" 1
412 1 31 ASN H 1 31 ASN HB3 . . 3.730 3.051 2.382 3.713 . 0 0 "[ . 1 . 2]" 1
413 1 31 ASN H 1 32 PHE H . . 3.170 2.062 1.783 2.275 . 0 0 "[ . 1 . 2]" 1
414 1 31 ASN HA 1 51 ILE MD . . 6.000 3.173 2.019 5.247 . 0 0 "[ . 1 . 2]" 1
415 1 31 ASN HA 1 51 ILE MG . . 6.530 4.275 2.521 6.265 . 0 0 "[ . 1 . 2]" 1
416 1 31 ASN QB 1 32 PHE H . . 4.180 2.804 2.350 3.432 . 0 0 "[ . 1 . 2]" 1
417 1 31 ASN QB 1 32 PHE QD . . 8.500 3.283 2.328 5.079 . 0 0 "[ . 1 . 2]" 1
418 1 31 ASN HB2 1 32 PHE H . . 4.690 3.529 2.646 4.340 . 0 0 "[ . 1 . 2]" 1
419 1 31 ASN HB3 1 32 PHE H . . 4.690 3.227 2.379 4.140 . 0 0 "[ . 1 . 2]" 1
420 1 31 ASN QD 1 32 PHE H . . 6.370 4.917 3.882 5.392 . 0 0 "[ . 1 . 2]" 1
421 1 32 PHE H 1 32 PHE HB2 . . 3.520 2.476 2.338 2.722 . 0 0 "[ . 1 . 2]" 1
422 1 32 PHE H 1 32 PHE HB3 . . 3.670 3.527 2.672 3.807 0.137 12 0 "[ . 1 . 2]" 1
423 1 32 PHE H 1 33 VAL H . . 5.000 4.333 4.047 4.499 . 0 0 "[ . 1 . 2]" 1
424 1 32 PHE HA 1 33 VAL H . . 2.710 2.153 2.099 2.198 . 0 0 "[ . 1 . 2]" 1
425 1 32 PHE HA 1 33 VAL QG . . 8.090 3.391 3.252 3.669 . 0 0 "[ . 1 . 2]" 1
426 1 32 PHE HA 1 50 ASN HA . . 3.270 2.387 1.887 3.286 0.016 16 0 "[ . 1 . 2]" 1
427 1 32 PHE HB2 1 33 VAL H . . 4.450 4.367 4.117 4.485 0.035 18 0 "[ . 1 . 2]" 1
428 1 32 PHE HB3 1 33 VAL H . . 3.920 3.594 3.102 4.072 0.152 7 0 "[ . 1 . 2]" 1
429 1 32 PHE QD 1 50 ASN HA . . 7.620 3.674 2.696 4.735 . 0 0 "[ . 1 . 2]" 1
430 1 33 VAL H 1 49 VAL H . . 3.700 3.416 2.881 3.844 0.144 20 0 "[ . 1 . 2]" 1
431 1 33 VAL HA 1 34 LEU H . . 2.830 2.416 2.277 2.507 . 0 0 "[ . 1 . 2]" 1
432 1 33 VAL HB 1 34 LEU H . . 3.610 2.453 2.165 3.812 0.202 7 0 "[ . 1 . 2]" 1
433 1 33 VAL QG 1 34 LEU H . . 5.570 3.065 1.803 3.304 . 0 0 "[ . 1 . 2]" 1
434 1 33 VAL QG 1 49 VAL H . . 8.090 3.551 3.152 4.115 . 0 0 "[ . 1 . 2]" 1
435 1 33 VAL QG 1 51 ILE HA . . 8.090 3.708 2.776 4.548 . 0 0 "[ . 1 . 2]" 1
436 1 33 VAL QG 1 51 ILE QG . . 8.970 3.065 1.812 4.751 . 0 0 "[ . 1 . 2]" 1
437 1 33 VAL MG1 1 34 LEU H . . 5.910 3.609 3.335 3.736 . 0 0 "[ . 1 . 2]" 1
438 1 33 VAL MG2 1 34 LEU H . . 5.910 3.352 1.811 3.726 . 0 0 "[ . 1 . 2]" 1
439 1 34 LEU H 1 34 LEU HB2 . . 3.210 2.766 2.463 3.083 . 0 0 "[ . 1 . 2]" 1
440 1 34 LEU H 1 34 LEU HB3 . . 3.210 2.620 2.401 2.818 . 0 0 "[ . 1 . 2]" 1
441 1 34 LEU H 1 34 LEU HG . . 5.500 4.508 4.345 4.765 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU HA 1 35 VAL H . . 2.770 2.127 2.100 2.146 . 0 0 "[ . 1 . 2]" 1
443 1 34 LEU HA 1 48 ARG HA . . 3.730 2.697 1.954 3.749 0.019 15 0 "[ . 1 . 2]" 1
444 1 34 LEU HA 1 49 VAL QG . . 8.090 4.408 3.691 5.584 . 0 0 "[ . 1 . 2]" 1
445 1 34 LEU QB 1 35 VAL H . . 4.040 3.841 3.795 3.860 . 0 0 "[ . 1 . 2]" 1
446 1 34 LEU HB2 1 35 VAL H . . 4.630 4.402 4.282 4.505 . 0 0 "[ . 1 . 2]" 1
447 1 34 LEU HB3 1 35 VAL H . . 4.630 4.240 4.085 4.360 . 0 0 "[ . 1 . 2]" 1
448 1 34 LEU QD 1 35 VAL H . . 5.140 2.598 2.408 2.754 . 0 0 "[ . 1 . 2]" 1
449 1 34 LEU QD 1 35 VAL HA . . 8.100 3.812 3.199 4.436 . 0 0 "[ . 1 . 2]" 1
450 1 34 LEU QD 1 46 ARG QG . . 7.680 3.314 1.841 4.609 . 0 0 "[ . 1 . 2]" 1
451 1 34 LEU QD 1 47 ARG HA . . 6.490 3.746 2.530 5.629 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU MD1 1 35 VAL H . . 5.720 3.517 2.460 4.874 . 0 0 "[ . 1 . 2]" 1
453 1 34 LEU MD2 1 35 VAL H . . 5.720 3.710 2.414 4.786 . 0 0 "[ . 1 . 2]" 1
454 1 34 LEU HG 1 35 VAL H . . 5.220 3.662 3.356 4.956 . 0 0 "[ . 1 . 2]" 1
455 1 35 VAL H 1 36 THR H . . 4.910 4.455 4.380 4.508 . 0 0 "[ . 1 . 2]" 1
456 1 35 VAL HA 1 36 THR H . . 2.960 2.246 2.178 2.366 . 0 0 "[ . 1 . 2]" 1
457 1 35 VAL HB 1 36 THR H . . 3.240 2.777 2.488 3.057 . 0 0 "[ . 1 . 2]" 1
458 1 35 VAL QG 1 36 THR H . . 5.910 3.324 3.177 3.445 . 0 0 "[ . 1 . 2]" 1
459 1 35 VAL QG 1 49 VAL QG . . 9.960 2.166 1.817 2.707 . 0 0 "[ . 1 . 2]" 1
460 1 35 VAL MG1 1 36 THR H . . 6.430 3.747 3.687 3.813 . 0 0 "[ . 1 . 2]" 1
461 1 35 VAL MG2 1 36 THR H . . 6.430 3.721 3.458 3.946 . 0 0 "[ . 1 . 2]" 1
462 1 36 THR H 1 36 THR HB . . 4.200 3.320 2.665 3.551 . 0 0 "[ . 1 . 2]" 1
463 1 36 THR HA 1 46 ARG HA . . 4.200 2.948 1.983 4.324 0.124 10 0 "[ . 1 . 2]" 1
464 1 36 THR HB 1 46 ARG HA . . 5.500 3.555 1.849 5.551 0.051 12 0 "[ . 1 . 2]" 1
465 1 36 THR MG 1 38 PRO HA . . 6.280 4.648 3.638 5.411 . 0 0 "[ . 1 . 2]" 1
466 1 37 GLY QA 1 44 VAL H . . 5.020 3.442 2.557 4.191 . 0 0 "[ . 1 . 2]" 1
467 1 37 GLY QA 1 44 VAL MG2 . . 7.410 2.741 2.055 4.156 . 0 0 "[ . 1 . 2]" 1
468 1 37 GLY HA2 1 44 VAL HB . . 5.500 3.718 3.203 5.531 0.031 12 0 "[ . 1 . 2]" 1
469 1 37 GLY HA3 1 44 VAL HB . . 5.500 2.152 1.731 3.852 . 0 0 "[ . 1 . 2]" 1
470 1 38 PRO HA 1 39 LYS H . . 3.020 2.159 2.102 2.260 . 0 0 "[ . 1 . 2]" 1
471 1 38 PRO QB 1 39 LYS H . . 4.280 3.418 2.922 3.752 . 0 0 "[ . 1 . 2]" 1
472 1 38 PRO QB 1 41 ILE MD . . 7.410 2.460 1.893 3.876 . 0 0 "[ . 1 . 2]" 1
473 1 38 PRO QB 1 41 ILE QG . . 6.380 2.970 2.516 4.223 . 0 0 "[ . 1 . 2]" 1
474 1 38 PRO HB2 1 39 LYS H . . 4.450 3.988 3.297 4.228 . 0 0 "[ . 1 . 2]" 1
475 1 38 PRO HB3 1 39 LYS H . . 4.450 3.741 3.263 4.384 . 0 0 "[ . 1 . 2]" 1
476 1 38 PRO QD 1 41 ILE HB . . 6.380 4.199 3.383 5.052 . 0 0 "[ . 1 . 2]" 1
477 1 38 PRO QD 1 41 ILE MD . . 7.410 4.548 3.769 5.768 . 0 0 "[ . 1 . 2]" 1
478 1 38 PRO QD 1 72 VAL QG . . 7.180 3.140 2.039 4.933 . 0 0 "[ . 1 . 2]" 1
479 1 38 PRO QD 1 76 LEU QD . . 7.470 3.791 2.845 4.823 . 0 0 "[ . 1 . 2]" 1
480 1 38 PRO HD2 1 72 VAL MG1 . . 8.930 4.403 3.227 6.490 . 0 0 "[ . 1 . 2]" 1
481 1 38 PRO HD2 1 72 VAL MG2 . . 8.930 6.045 5.105 8.325 . 0 0 "[ . 1 . 2]" 1
482 1 38 PRO HD2 1 76 LEU MD1 . . 9.260 5.167 3.006 7.022 . 0 0 "[ . 1 . 2]" 1
483 1 38 PRO HD2 1 76 LEU MD2 . . 9.260 5.158 3.725 6.583 . 0 0 "[ . 1 . 2]" 1
484 1 38 PRO HD3 1 72 VAL MG1 . . 8.930 3.317 2.058 5.294 . 0 0 "[ . 1 . 2]" 1
485 1 38 PRO HD3 1 72 VAL MG2 . . 8.930 4.723 3.683 7.358 . 0 0 "[ . 1 . 2]" 1
486 1 38 PRO HD3 1 76 LEU MD1 . . 9.260 4.972 3.594 6.731 . 0 0 "[ . 1 . 2]" 1
487 1 38 PRO HD3 1 76 LEU MD2 . . 9.260 5.119 3.883 6.665 . 0 0 "[ . 1 . 2]" 1
488 1 38 PRO QG 1 41 ILE QG . . 7.060 4.223 3.566 5.573 . 0 0 "[ . 1 . 2]" 1
489 1 38 PRO QG 1 72 VAL QG . . 7.140 2.596 1.811 5.455 . 0 0 "[ . 1 . 2]" 1
490 1 38 PRO HG2 1 72 VAL MG1 . . 8.840 3.729 2.684 6.741 . 0 0 "[ . 1 . 2]" 1
491 1 38 PRO HG2 1 72 VAL MG2 . . 8.840 5.845 4.469 8.900 0.060 6 0 "[ . 1 . 2]" 1
492 1 38 PRO HG3 1 72 VAL MG1 . . 8.840 2.692 1.826 5.968 . 0 0 "[ . 1 . 2]" 1
493 1 38 PRO HG3 1 72 VAL MG2 . . 8.840 4.553 3.188 8.253 . 0 0 "[ . 1 . 2]" 1
494 1 39 LYS H 1 39 LYS HB2 . . 3.580 2.920 2.306 3.602 0.022 2 0 "[ . 1 . 2]" 1
495 1 39 LYS H 1 39 LYS HB3 . . 3.580 2.761 2.298 3.611 0.031 14 0 "[ . 1 . 2]" 1
496 1 39 LYS H 1 39 LYS HG2 . . 5.500 3.469 1.797 4.574 . 0 0 "[ . 1 . 2]" 1
497 1 39 LYS H 1 39 LYS HG3 . . 5.500 3.569 1.770 4.570 . 0 0 "[ . 1 . 2]" 1
498 1 39 LYS H 1 40 ASP H . . 4.040 2.908 2.332 4.468 0.428 6 0 "[ . 1 . 2]" 1
499 1 39 LYS HA 1 44 VAL H . . 4.200 3.515 2.821 4.056 . 0 0 "[ . 1 . 2]" 1
500 1 39 LYS HB2 1 40 ASP H . . 4.260 3.692 1.789 4.219 . 0 0 "[ . 1 . 2]" 1
501 1 39 LYS HB3 1 40 ASP H . . 4.260 3.462 2.277 4.377 0.117 16 0 "[ . 1 . 2]" 1
502 1 39 LYS HG2 1 40 ASP H . . 5.500 3.773 2.190 5.330 . 0 0 "[ . 1 . 2]" 1
503 1 39 LYS HG3 1 40 ASP H . . 5.500 3.769 1.796 5.035 . 0 0 "[ . 1 . 2]" 1
504 1 40 ASP H 1 40 ASP HB2 . . 3.950 2.826 2.429 3.633 . 0 0 "[ . 1 . 2]" 1
505 1 40 ASP H 1 40 ASP HB3 . . 3.950 2.944 2.363 4.144 0.194 6 0 "[ . 1 . 2]" 1
506 1 40 ASP H 1 41 ILE H . . 3.520 2.538 2.081 3.564 0.044 4 0 "[ . 1 . 2]" 1
507 1 40 ASP HA 1 40 ASP HB2 . . 2.990 2.625 2.399 3.024 0.034 4 0 "[ . 1 . 2]" 1
508 1 40 ASP HA 1 40 ASP HB3 . . 2.990 2.831 2.403 3.024 0.034 8 0 "[ . 1 . 2]" 1
509 1 41 ILE H 1 41 ILE HB . . 3.420 2.581 2.468 2.801 . 0 0 "[ . 1 . 2]" 1
510 1 41 ILE H 1 41 ILE HG12 . . 5.100 3.791 3.346 4.544 . 0 0 "[ . 1 . 2]" 1
511 1 41 ILE H 1 41 ILE QG . . 4.830 2.611 2.049 3.800 . 0 0 "[ . 1 . 2]" 1
512 1 41 ILE H 1 41 ILE HG13 . . 5.100 2.673 2.067 4.074 . 0 0 "[ . 1 . 2]" 1
513 1 41 ILE HB 1 42 THR H . . 4.200 2.429 1.883 4.286 0.086 5 0 "[ . 1 . 2]" 1
514 1 41 ILE MD 1 73 LYS HA . . 6.530 3.060 1.960 4.731 . 0 0 "[ . 1 . 2]" 1
515 1 41 ILE MD 1 73 LYS QB . . 7.410 3.552 2.501 5.061 . 0 0 "[ . 1 . 2]" 1
516 1 41 ILE MD 1 73 LYS HD2 . . 6.060 3.668 2.030 4.819 . 0 0 "[ . 1 . 2]" 1
517 1 41 ILE MD 1 73 LYS QD . . 5.630 3.162 1.981 4.016 . 0 0 "[ . 1 . 2]" 1
518 1 41 ILE MD 1 73 LYS HD3 . . 6.060 3.731 2.298 5.108 . 0 0 "[ . 1 . 2]" 1
519 1 41 ILE MD 1 73 LYS HE2 . . 6.000 4.112 2.129 5.644 . 0 0 "[ . 1 . 2]" 1
520 1 41 ILE MD 1 73 LYS QE . . 5.750 3.500 2.082 5.176 . 0 0 "[ . 1 . 2]" 1
521 1 41 ILE MD 1 73 LYS HE3 . . 6.000 3.994 2.535 6.019 0.019 10 0 "[ . 1 . 2]" 1
522 1 41 ILE MD 1 73 LYS HG2 . . 5.850 3.205 2.051 4.802 . 0 0 "[ . 1 . 2]" 1
523 1 41 ILE MD 1 73 LYS HG3 . . 5.850 2.846 1.735 4.709 . 0 0 "[ . 1 . 2]" 1
524 1 41 ILE MD 1 82 THR HB . . 6.530 4.668 2.439 6.339 . 0 0 "[ . 1 . 2]" 1
525 1 41 ILE MD 1 82 THR MG . . 7.560 2.725 1.857 4.984 . 0 0 "[ . 1 . 2]" 1
526 1 41 ILE MG 1 42 THR H . . 6.530 3.001 2.668 3.471 . 0 0 "[ . 1 . 2]" 1
527 1 41 ILE MG 1 82 THR HB . . 6.090 4.810 3.588 5.820 . 0 0 "[ . 1 . 2]" 1
528 1 41 ILE MG 1 82 THR MG . . 7.560 2.914 2.008 4.536 . 0 0 "[ . 1 . 2]" 1
529 1 41 ILE MG 1 85 MET H . . 6.400 4.777 3.623 5.737 . 0 0 "[ . 1 . 2]" 1
530 1 41 ILE MG 1 85 MET HA . . 6.530 5.147 4.095 6.186 . 0 0 "[ . 1 . 2]" 1
531 1 41 ILE MG 1 85 MET HB2 . . 5.690 3.978 2.346 5.653 . 0 0 "[ . 1 . 2]" 1
532 1 41 ILE MG 1 85 MET QB . . 5.260 2.961 1.980 4.130 . 0 0 "[ . 1 . 2]" 1
533 1 41 ILE MG 1 85 MET HB3 . . 5.690 3.156 2.115 4.402 . 0 0 "[ . 1 . 2]" 1
534 1 41 ILE MG 1 85 MET ME . . 7.560 4.898 3.616 6.728 . 0 0 "[ . 1 . 2]" 1
535 1 41 ILE MG 1 85 MET QG . . 6.380 3.887 2.131 5.363 . 0 0 "[ . 1 . 2]" 1
536 1 41 ILE MG 1 86 LYS H . . 6.530 3.714 2.993 4.575 . 0 0 "[ . 1 . 2]" 1
537 1 41 ILE MG 1 86 LYS HA . . 6.530 3.112 1.999 4.249 . 0 0 "[ . 1 . 2]" 1
538 1 42 THR HA 1 86 LYS HA . . 4.290 3.852 2.806 4.420 0.130 18 0 "[ . 1 . 2]" 1
539 1 42 THR HB 1 44 VAL MG2 . . 5.720 2.686 1.779 4.734 . 0 0 "[ . 1 . 2]" 1
540 1 42 THR MG 1 85 MET HA . . 6.530 4.790 3.265 5.571 . 0 0 "[ . 1 . 2]" 1
541 1 42 THR MG 1 85 MET HB2 . . 6.280 5.584 3.507 6.314 0.034 9 0 "[ . 1 . 2]" 1
542 1 42 THR MG 1 85 MET QB . . 6.120 4.309 2.002 5.499 . 0 0 "[ . 1 . 2]" 1
543 1 42 THR MG 1 85 MET HB3 . . 6.280 4.508 2.014 6.051 . 0 0 "[ . 1 . 2]" 1
544 1 42 THR MG 1 85 MET ME . . 7.340 3.870 1.840 6.692 . 0 0 "[ . 1 . 2]" 1
545 1 42 THR MG 1 86 LYS HA . . 6.500 3.328 2.000 5.460 . 0 0 "[ . 1 . 2]" 1
546 1 44 VAL H 1 44 VAL HB . . 3.830 2.619 2.494 2.876 . 0 0 "[ . 1 . 2]" 1
547 1 44 VAL HA 1 45 LYS H . . 3.390 2.360 2.108 3.462 0.072 17 0 "[ . 1 . 2]" 1
548 1 44 VAL MG1 1 45 LYS H . . 6.530 2.884 2.140 3.901 . 0 0 "[ . 1 . 2]" 1
549 1 45 LYS H 1 45 LYS HG2 . . 5.500 3.950 1.902 5.343 . 0 0 "[ . 1 . 2]" 1
550 1 45 LYS H 1 45 LYS HG3 . . 5.500 3.743 2.000 4.856 . 0 0 "[ . 1 . 2]" 1
551 1 45 LYS HA 1 46 ARG H . . 3.170 2.322 2.118 2.832 . 0 0 "[ . 1 . 2]" 1
552 1 45 LYS QB 1 46 ARG H . . 5.230 3.047 1.767 3.970 . 0 0 "[ . 1 . 2]" 1
553 1 46 ARG H 1 47 ARG H . . 4.970 4.507 4.339 4.608 . 0 0 "[ . 1 . 2]" 1
554 1 46 ARG HA 1 47 ARG H . . 2.800 2.180 2.115 2.254 . 0 0 "[ . 1 . 2]" 1
555 1 47 ARG H 1 47 ARG HG2 . . 5.500 3.962 2.029 5.098 . 0 0 "[ . 1 . 2]" 1
556 1 47 ARG H 1 47 ARG HG3 . . 5.500 3.935 3.058 4.938 . 0 0 "[ . 1 . 2]" 1
557 1 47 ARG H 1 48 ARG H . . 4.970 4.348 4.224 4.557 . 0 0 "[ . 1 . 2]" 1
558 1 47 ARG HA 1 48 ARG H . . 2.620 2.404 2.206 2.626 0.006 6 0 "[ . 1 . 2]" 1
559 1 47 ARG QB 1 48 ARG H . . 4.030 2.727 2.104 3.592 . 0 0 "[ . 1 . 2]" 1
560 1 47 ARG HB2 1 48 ARG H . . 4.230 3.388 2.253 4.180 . 0 0 "[ . 1 . 2]" 1
561 1 47 ARG HB3 1 48 ARG H . . 4.230 3.303 2.123 3.982 . 0 0 "[ . 1 . 2]" 1
562 1 47 ARG QG 1 48 ARG H . . 6.380 3.075 1.822 3.913 . 0 0 "[ . 1 . 2]" 1
563 1 48 ARG H 1 48 ARG HB2 . . 3.730 2.739 2.291 3.666 . 0 0 "[ . 1 . 2]" 1
564 1 48 ARG H 1 48 ARG QB . . 3.560 2.489 2.265 2.885 . 0 0 "[ . 1 . 2]" 1
565 1 48 ARG H 1 48 ARG HB3 . . 3.730 3.403 2.448 3.701 . 0 0 "[ . 1 . 2]" 1
566 1 48 ARG H 1 48 ARG HG2 . . 5.500 3.378 1.863 4.363 . 0 0 "[ . 1 . 2]" 1
567 1 48 ARG H 1 48 ARG HG3 . . 5.500 2.756 2.038 4.606 . 0 0 "[ . 1 . 2]" 1
568 1 48 ARG H 1 49 VAL H . . 4.760 4.434 4.281 4.591 . 0 0 "[ . 1 . 2]" 1
569 1 48 ARG HA 1 49 VAL H . . 2.740 2.168 2.125 2.265 . 0 0 "[ . 1 . 2]" 1
570 1 48 ARG HB2 1 49 VAL H . . 5.030 4.056 3.127 4.479 . 0 0 "[ . 1 . 2]" 1
571 1 48 ARG HB3 1 49 VAL H . . 5.030 3.631 2.921 4.342 . 0 0 "[ . 1 . 2]" 1
572 1 48 ARG QG 1 49 VAL H . . 6.380 4.139 3.096 4.494 . 0 0 "[ . 1 . 2]" 1
573 1 49 VAL H 1 49 VAL HB . . 3.800 3.294 2.613 3.842 0.042 5 0 "[ . 1 . 2]" 1
574 1 49 VAL H 1 50 ASN H . . 5.000 3.979 1.826 4.476 . 0 0 "[ . 1 . 2]" 1
575 1 49 VAL HA 1 50 ASN H . . 3.110 2.500 2.211 3.233 0.123 20 0 "[ . 1 . 2]" 1
576 1 49 VAL HB 1 50 ASN H . . 4.170 3.406 1.983 4.324 0.154 5 0 "[ . 1 . 2]" 1
577 1 49 VAL QG 1 50 ASN H . . 6.150 2.643 1.759 3.716 . 0 0 "[ . 1 . 2]" 1
578 1 49 VAL QG 1 53 HIS HB2 . . 7.750 4.620 2.048 7.414 . 0 0 "[ . 1 . 2]" 1
579 1 49 VAL QG 1 53 HIS HB3 . . 8.090 5.234 2.437 7.721 . 0 0 "[ . 1 . 2]" 1
580 1 49 VAL MG1 1 50 ASN H . . 6.530 3.315 1.936 4.326 . 0 0 "[ . 1 . 2]" 1
581 1 49 VAL MG2 1 50 ASN H . . 6.530 3.218 1.770 4.355 . 0 0 "[ . 1 . 2]" 1
582 1 50 ASN H 1 50 ASN HB2 . . 3.760 3.424 2.322 3.903 0.143 5 0 "[ . 1 . 2]" 1
583 1 50 ASN H 1 50 ASN QB . . 3.460 2.748 2.295 3.339 . 0 0 "[ . 1 . 2]" 1
584 1 50 ASN H 1 50 ASN HB3 . . 3.760 3.094 2.524 4.069 0.309 12 0 "[ . 1 . 2]" 1
585 1 50 ASN HA 1 51 ILE H . . 2.800 2.418 2.123 2.940 0.140 2 0 "[ . 1 . 2]" 1
586 1 50 ASN QB 1 51 ILE H . . 4.470 2.913 1.917 4.033 . 0 0 "[ . 1 . 2]" 1
587 1 50 ASN HB2 1 51 ILE H . . 4.690 3.350 2.085 4.465 . 0 0 "[ . 1 . 2]" 1
588 1 50 ASN HB3 1 51 ILE H . . 4.690 3.692 1.928 4.596 . 0 0 "[ . 1 . 2]" 1
589 1 50 ASN QD 1 52 LEU QD . . 8.970 3.771 2.124 6.982 . 0 0 "[ . 1 . 2]" 1
590 1 51 ILE H 1 51 ILE HB . . 3.490 3.264 2.510 3.673 0.183 5 0 "[ . 1 . 2]" 1
591 1 51 ILE H 1 51 ILE HG12 . . 4.760 2.652 1.804 4.347 . 0 0 "[ . 1 . 2]" 1
592 1 51 ILE H 1 51 ILE QG . . 4.550 2.145 1.766 3.960 . 0 0 "[ . 1 . 2]" 1
593 1 51 ILE H 1 51 ILE HG13 . . 4.760 2.793 1.773 4.561 . 0 0 "[ . 1 . 2]" 1
594 1 51 ILE H 1 51 ILE MG . . 4.760 3.089 1.819 4.012 . 0 0 "[ . 1 . 2]" 1
595 1 51 ILE H 1 52 LEU H . . 3.890 2.996 1.978 4.003 0.113 19 0 "[ . 1 . 2]" 1
596 1 51 ILE HA 1 54 LEU QD . . 6.520 2.759 1.833 4.030 . 0 0 "[ . 1 . 2]" 1
597 1 51 ILE HB 1 52 LEU H . . 4.350 4.005 2.379 4.437 0.087 19 0 "[ . 1 . 2]" 1
598 1 51 ILE HB 1 54 LEU QD . . 8.100 4.478 3.051 5.941 . 0 0 "[ . 1 . 2]" 1
599 1 51 ILE MD 1 52 LEU H . . 6.530 4.892 2.757 5.596 . 0 0 "[ . 1 . 2]" 1
600 1 51 ILE HG12 1 52 LEU H . . 5.500 4.402 3.006 5.124 . 0 0 "[ . 1 . 2]" 1
601 1 51 ILE HG13 1 52 LEU H . . 5.500 4.180 2.568 5.714 0.214 2 0 "[ . 1 . 2]" 1
602 1 51 ILE MG 1 52 LEU H . . 6.530 4.012 3.391 4.336 . 0 0 "[ . 1 . 2]" 1
603 1 51 ILE MG 1 54 LEU QD . . 7.890 3.300 2.375 3.989 . 0 0 "[ . 1 . 2]" 1
604 1 52 LEU H 1 52 LEU HB2 . . 3.670 2.646 2.245 3.389 . 0 0 "[ . 1 . 2]" 1
605 1 52 LEU H 1 52 LEU QB . . 3.440 2.410 2.158 2.998 . 0 0 "[ . 1 . 2]" 1
606 1 52 LEU H 1 52 LEU HB3 . . 3.670 3.008 2.444 3.672 0.002 10 0 "[ . 1 . 2]" 1
607 1 52 LEU H 1 52 LEU HG . . 4.910 4.233 2.294 4.916 0.006 6 0 "[ . 1 . 2]" 1
608 1 52 LEU H 1 53 HIS H . . 3.610 2.516 1.945 3.145 . 0 0 "[ . 1 . 2]" 1
609 1 52 LEU QB 1 53 HIS H . . 4.380 2.947 2.011 3.882 . 0 0 "[ . 1 . 2]" 1
610 1 52 LEU HB2 1 53 HIS H . . 4.850 3.764 2.049 4.594 . 0 0 "[ . 1 . 2]" 1
611 1 52 LEU HB3 1 53 HIS H . . 4.850 3.267 2.060 4.373 . 0 0 "[ . 1 . 2]" 1
612 1 52 LEU QD 1 53 HIS H . . 8.100 3.970 3.159 4.360 . 0 0 "[ . 1 . 2]" 1
613 1 52 LEU HG 1 53 HIS H . . 5.500 4.556 3.432 5.290 . 0 0 "[ . 1 . 2]" 1
614 1 53 HIS H 1 53 HIS HB2 . . 3.300 2.685 2.380 3.286 . 0 0 "[ . 1 . 2]" 1
615 1 53 HIS H 1 53 HIS HB3 . . 4.110 3.534 2.635 3.853 . 0 0 "[ . 1 . 2]" 1
616 1 53 HIS H 1 53 HIS HD2 . . 5.500 4.507 2.843 5.500 . 0 0 "[ . 1 . 2]" 1
617 1 53 HIS H 1 54 LEU H . . 3.050 2.504 1.854 3.147 0.097 19 0 "[ . 1 . 2]" 1
618 1 53 HIS HA 1 53 HIS HD2 . . 4.600 3.331 2.200 4.529 . 0 0 "[ . 1 . 2]" 1
619 1 54 LEU H 1 54 LEU HB2 . . 3.950 3.133 2.454 3.995 0.045 18 0 "[ . 1 . 2]" 1
620 1 54 LEU H 1 54 LEU QB . . 3.490 2.774 2.419 3.340 . 0 0 "[ . 1 . 2]" 1
621 1 54 LEU H 1 54 LEU HB3 . . 3.950 3.432 2.709 3.785 . 0 0 "[ . 1 . 2]" 1
622 1 54 LEU H 1 54 LEU HG . . 4.690 3.704 2.401 4.578 . 0 0 "[ . 1 . 2]" 1
623 1 54 LEU HA 1 55 GLU H . . 2.680 2.245 2.137 2.438 . 0 0 "[ . 1 . 2]" 1
624 1 54 LEU QB 1 55 GLU H . . 4.150 3.017 2.401 3.792 . 0 0 "[ . 1 . 2]" 1
625 1 54 LEU HB2 1 55 GLU H . . 4.600 3.647 2.451 4.336 . 0 0 "[ . 1 . 2]" 1
626 1 54 LEU HB3 1 55 GLU H . . 4.600 3.548 2.553 4.198 . 0 0 "[ . 1 . 2]" 1
627 1 54 LEU QD 1 55 GLU H . . 6.130 3.449 2.487 4.201 . 0 0 "[ . 1 . 2]" 1
628 1 54 LEU QD 1 55 GLU QG . . 8.980 4.973 4.277 6.166 . 0 0 "[ . 1 . 2]" 1
629 1 54 LEU MD1 1 55 GLU H . . 6.530 3.926 2.498 5.116 . 0 0 "[ . 1 . 2]" 1
630 1 54 LEU MD2 1 55 GLU H . . 6.530 4.394 3.420 4.981 . 0 0 "[ . 1 . 2]" 1
631 1 55 GLU H 1 55 GLU HB2 . . 3.670 2.724 2.426 3.833 0.163 13 0 "[ . 1 . 2]" 1
632 1 55 GLU H 1 55 GLU QB . . 3.420 2.581 2.391 3.102 . 0 0 "[ . 1 . 2]" 1
633 1 55 GLU H 1 55 GLU HB3 . . 3.670 3.568 2.971 3.773 0.103 1 0 "[ . 1 . 2]" 1
634 1 55 GLU HA 1 56 PRO HD2 . . 3.490 2.492 2.021 3.004 . 0 0 "[ . 1 . 2]" 1
635 1 55 GLU HA 1 56 PRO QD . . 3.310 1.887 1.740 2.054 . 0 0 "[ . 1 . 2]" 1
636 1 55 GLU HA 1 56 PRO HD3 . . 3.490 2.044 1.754 2.504 . 0 0 "[ . 1 . 2]" 1
637 1 56 PRO HA 1 57 THR H . . 3.240 2.192 2.154 2.267 . 0 0 "[ . 1 . 2]" 1
638 1 56 PRO HB2 1 57 THR H . . 4.070 3.408 2.823 3.860 . 0 0 "[ . 1 . 2]" 1
639 1 56 PRO HB3 1 57 THR H . . 4.070 3.618 3.197 4.055 . 0 0 "[ . 1 . 2]" 1
640 1 56 PRO QD 1 57 THR H . . 5.590 4.937 4.827 4.993 . 0 0 "[ . 1 . 2]" 1
641 1 57 THR HA 1 58 ASP H . . 3.240 2.550 2.180 2.788 . 0 0 "[ . 1 . 2]" 1
642 1 57 THR HB 1 58 ASP H . . 3.360 2.434 1.809 3.459 0.099 1 0 "[ . 1 . 2]" 1
643 1 57 THR MG 1 58 ASP H . . 5.660 3.125 1.688 3.615 . 0 0 "[ . 1 . 2]" 1
644 1 57 THR MG 1 84 TYR QE . . 8.660 3.572 2.452 6.528 . 0 0 "[ . 1 . 2]" 1
645 1 58 ASP H 1 58 ASP HB2 . . 3.980 2.775 2.204 3.663 . 0 0 "[ . 1 . 2]" 1
646 1 58 ASP H 1 58 ASP QB . . 3.790 2.450 2.158 2.969 . 0 0 "[ . 1 . 2]" 1
647 1 58 ASP H 1 58 ASP HB3 . . 3.980 3.104 2.267 3.812 . 0 0 "[ . 1 . 2]" 1
648 1 58 ASP HA 1 59 LYS H . . 3.550 3.411 2.884 3.570 0.020 7 0 "[ . 1 . 2]" 1
649 1 58 ASP QB 1 59 LYS H . . 4.090 2.891 1.987 3.837 . 0 0 "[ . 1 . 2]" 1
650 1 59 LYS H 1 59 LYS HB2 . . 3.830 2.497 2.266 3.725 . 0 0 "[ . 1 . 2]" 1
651 1 59 LYS H 1 59 LYS QB . . 3.490 2.420 2.240 2.874 . 0 0 "[ . 1 . 2]" 1
652 1 59 LYS H 1 59 LYS HB3 . . 3.830 3.591 2.990 3.827 . 0 0 "[ . 1 . 2]" 1
653 1 59 LYS H 1 59 LYS HD2 . . 5.500 3.524 1.801 5.050 . 0 0 "[ . 1 . 2]" 1
654 1 59 LYS H 1 59 LYS HD3 . . 5.500 3.888 2.534 5.286 . 0 0 "[ . 1 . 2]" 1
655 1 59 LYS H 1 59 LYS HG2 . . 5.340 3.840 2.123 4.406 . 0 0 "[ . 1 . 2]" 1
656 1 59 LYS H 1 59 LYS QG . . 4.720 3.059 2.088 3.866 . 0 0 "[ . 1 . 2]" 1
657 1 59 LYS H 1 59 LYS HG3 . . 5.340 3.354 2.238 4.320 . 0 0 "[ . 1 . 2]" 1
658 1 59 LYS H 1 60 LYS H . . 5.500 4.536 4.433 4.652 . 0 0 "[ . 1 . 2]" 1
659 1 59 LYS HA 1 59 LYS HD2 . . 5.500 3.633 2.266 4.791 . 0 0 "[ . 1 . 2]" 1
660 1 59 LYS HA 1 59 LYS HD3 . . 5.500 4.131 1.937 4.946 . 0 0 "[ . 1 . 2]" 1
661 1 59 LYS HA 1 60 LYS H . . 2.770 2.251 2.127 2.439 . 0 0 "[ . 1 . 2]" 1
662 1 59 LYS HB2 1 60 LYS H . . 4.040 3.851 2.241 4.135 0.095 20 0 "[ . 1 . 2]" 1
663 1 59 LYS HB3 1 60 LYS H . . 4.040 2.831 2.332 3.619 . 0 0 "[ . 1 . 2]" 1
664 1 59 LYS QD 1 60 LYS H . . 6.380 4.616 2.953 5.031 . 0 0 "[ . 1 . 2]" 1
665 1 59 LYS QD 1 81 LEU MD1 . . 6.410 3.949 2.006 4.787 . 0 0 "[ . 1 . 2]" 1
666 1 59 LYS HD2 1 81 LEU MD1 . . 6.530 4.729 2.086 6.144 . 0 0 "[ . 1 . 2]" 1
667 1 59 LYS HD3 1 81 LEU MD1 . . 6.530 4.376 2.264 6.115 . 0 0 "[ . 1 . 2]" 1
668 1 59 LYS QE 1 81 LEU MD1 . . 5.660 3.843 2.643 5.196 . 0 0 "[ . 1 . 2]" 1
669 1 59 LYS QE 1 84 TYR QD . . 8.520 5.365 3.696 6.862 . 0 0 "[ . 1 . 2]" 1
670 1 59 LYS QE 1 84 TYR QE . . 8.510 5.270 2.811 7.193 . 0 0 "[ . 1 . 2]" 1
671 1 59 LYS HE2 1 81 LEU MD1 . . 6.030 4.660 2.807 6.114 0.084 17 0 "[ . 1 . 2]" 1
672 1 59 LYS HE3 1 81 LEU MD1 . . 6.030 4.256 2.847 6.033 0.003 6 0 "[ . 1 . 2]" 1
673 1 59 LYS QG 1 60 LYS H . . 4.890 3.774 3.213 4.250 . 0 0 "[ . 1 . 2]" 1
674 1 59 LYS HG2 1 60 LYS H . . 5.500 4.494 3.787 5.035 . 0 0 "[ . 1 . 2]" 1
675 1 59 LYS HG2 1 81 LEU MD1 . . 6.530 4.073 1.775 6.566 0.036 12 0 "[ . 1 . 2]" 1
676 1 59 LYS HG3 1 60 LYS H . . 5.500 4.274 3.288 5.057 . 0 0 "[ . 1 . 2]" 1
677 1 59 LYS HG3 1 81 LEU MD1 . . 6.530 4.501 2.746 6.504 . 0 0 "[ . 1 . 2]" 1
678 1 60 LYS H 1 60 LYS HB2 . . 3.640 3.530 3.097 3.903 0.263 20 0 "[ . 1 . 2]" 1
679 1 60 LYS H 1 60 LYS QB . . 3.470 2.853 2.302 3.251 . 0 0 "[ . 1 . 2]" 1
680 1 60 LYS H 1 60 LYS HB3 . . 3.640 3.022 2.363 3.585 . 0 0 "[ . 1 . 2]" 1
681 1 60 LYS H 1 60 LYS QD . . 6.220 4.247 2.416 5.044 . 0 0 "[ . 1 . 2]" 1
682 1 60 LYS H 1 60 LYS HG2 . . 5.500 3.818 2.265 4.599 . 0 0 "[ . 1 . 2]" 1
683 1 60 LYS H 1 60 LYS HG3 . . 5.500 3.825 1.979 5.187 . 0 0 "[ . 1 . 2]" 1
684 1 60 LYS HA 1 61 ILE H . . 2.960 2.290 2.137 2.712 . 0 0 "[ . 1 . 2]" 1
685 1 60 LYS HA 1 61 ILE MG . . 6.530 3.865 3.438 4.155 . 0 0 "[ . 1 . 2]" 1
686 1 60 LYS QB 1 61 ILE H . . 4.330 3.159 1.914 3.822 . 0 0 "[ . 1 . 2]" 1
687 1 60 LYS HB2 1 61 ILE H . . 4.480 3.432 1.922 4.430 . 0 0 "[ . 1 . 2]" 1
688 1 60 LYS HB3 1 61 ILE H . . 4.480 3.974 3.423 4.359 . 0 0 "[ . 1 . 2]" 1
689 1 60 LYS HE2 1 61 ILE H . . 5.500 4.771 3.322 5.576 0.076 5 0 "[ . 1 . 2]" 1
690 1 60 LYS HE3 1 61 ILE H . . 5.500 5.017 4.099 5.594 0.094 6 0 "[ . 1 . 2]" 1
691 1 60 LYS QG 1 61 ILE H . . 4.780 3.200 2.020 4.499 . 0 0 "[ . 1 . 2]" 1
692 1 60 LYS HG2 1 61 ILE H . . 5.030 3.681 2.051 5.086 0.056 16 0 "[ . 1 . 2]" 1
693 1 60 LYS HG3 1 61 ILE H . . 5.030 3.828 2.922 5.017 . 0 0 "[ . 1 . 2]" 1
694 1 61 ILE H 1 61 ILE HB . . 3.830 3.710 3.623 3.822 . 0 0 "[ . 1 . 2]" 1
695 1 61 ILE H 1 61 ILE MD . . 5.780 3.723 3.609 3.905 . 0 0 "[ . 1 . 2]" 1
696 1 61 ILE H 1 61 ILE HG12 . . 5.100 2.042 1.894 2.280 . 0 0 "[ . 1 . 2]" 1
697 1 61 ILE H 1 61 ILE QG . . 4.480 1.999 1.862 2.207 . 0 0 "[ . 1 . 2]" 1
698 1 61 ILE H 1 61 ILE HG13 . . 5.100 2.863 2.688 3.011 . 0 0 "[ . 1 . 2]" 1
699 1 61 ILE HA 1 62 ASP H . . 3.330 2.394 2.116 3.430 0.100 18 0 "[ . 1 . 2]" 1
700 1 61 ILE HB 1 62 ASP H . . 3.580 3.007 1.817 3.801 0.221 19 0 "[ . 1 . 2]" 1
701 1 61 ILE MD 1 62 ASP H . . 6.530 4.665 3.641 5.331 . 0 0 "[ . 1 . 2]" 1
702 1 61 ILE MD 1 75 LYS HB2 . . 5.660 3.231 1.907 4.463 . 0 0 "[ . 1 . 2]" 1
703 1 61 ILE MD 1 75 LYS QB . . 5.100 2.706 1.834 4.202 . 0 0 "[ . 1 . 2]" 1
704 1 61 ILE MD 1 75 LYS HB3 . . 5.660 3.074 1.962 5.127 . 0 0 "[ . 1 . 2]" 1
705 1 61 ILE MD 1 76 LEU H . . 6.530 4.139 3.178 5.140 . 0 0 "[ . 1 . 2]" 1
706 1 61 ILE QG 1 62 ASP H . . 5.370 3.778 2.214 4.371 . 0 0 "[ . 1 . 2]" 1
707 1 61 ILE HG12 1 62 ASP H . . 5.500 4.764 2.927 5.257 . 0 0 "[ . 1 . 2]" 1
708 1 61 ILE HG13 1 62 ASP H . . 5.500 3.971 2.292 4.672 . 0 0 "[ . 1 . 2]" 1
709 1 61 ILE MG 1 62 ASP H . . 6.090 3.791 3.423 4.060 . 0 0 "[ . 1 . 2]" 1
710 1 61 ILE MG 1 76 LEU HA . . 5.570 3.304 2.264 5.046 . 0 0 "[ . 1 . 2]" 1
711 1 61 ILE MG 1 79 SER HB2 . . 6.060 3.464 2.354 4.439 . 0 0 "[ . 1 . 2]" 1
712 1 61 ILE MG 1 79 SER QB . . 5.890 3.176 2.283 4.136 . 0 0 "[ . 1 . 2]" 1
713 1 61 ILE MG 1 79 SER HB3 . . 6.060 3.799 3.008 4.935 . 0 0 "[ . 1 . 2]" 1
714 1 61 ILE MG 1 81 LEU H . . 6.530 5.183 4.179 6.299 . 0 0 "[ . 1 . 2]" 1
715 1 62 ASP H 1 62 ASP HB2 . . 3.420 2.676 2.291 3.226 . 0 0 "[ . 1 . 2]" 1
716 1 62 ASP H 1 62 ASP HB3 . . 3.420 2.818 2.549 3.592 0.172 18 0 "[ . 1 . 2]" 1
717 1 62 ASP H 1 63 ILE H . . 4.790 3.993 2.990 4.363 . 0 0 "[ . 1 . 2]" 1
718 1 62 ASP HA 1 63 ILE H . . 3.020 2.219 2.107 2.716 . 0 0 "[ . 1 . 2]" 1
719 1 62 ASP QB 1 63 ILE H . . 4.260 3.931 3.732 4.018 . 0 0 "[ . 1 . 2]" 1
720 1 62 ASP HB2 1 63 ILE H . . 4.660 4.507 4.337 4.616 . 0 0 "[ . 1 . 2]" 1
721 1 62 ASP HB3 1 63 ILE H . . 4.660 4.335 3.966 4.500 . 0 0 "[ . 1 . 2]" 1
722 1 63 ILE H 1 63 ILE HG12 . . 4.790 2.502 2.050 4.690 . 0 0 "[ . 1 . 2]" 1
723 1 63 ILE H 1 63 ILE QG . . 4.640 2.257 1.764 4.187 . 0 0 "[ . 1 . 2]" 1
724 1 63 ILE H 1 63 ILE HG13 . . 4.790 2.942 1.771 4.709 . 0 0 "[ . 1 . 2]" 1
725 1 63 ILE H 1 64 GLN H . . 4.850 4.401 4.330 4.547 . 0 0 "[ . 1 . 2]" 1
726 1 63 ILE HA 1 63 ILE MD . . 4.700 4.118 3.675 4.198 . 0 0 "[ . 1 . 2]" 1
727 1 63 ILE HA 1 64 GLN H . . 2.830 2.582 2.451 2.722 . 0 0 "[ . 1 . 2]" 1
728 1 63 ILE HB 1 64 GLN H . . 3.920 2.110 1.801 3.854 . 0 0 "[ . 1 . 2]" 1
729 1 63 ILE HB 1 67 ALA MB . . 5.880 2.997 2.141 4.496 . 0 0 "[ . 1 . 2]" 1
730 1 63 ILE MD 1 64 GLN H . . 6.530 3.716 3.069 4.023 . 0 0 "[ . 1 . 2]" 1
731 1 63 ILE MD 1 67 ALA H . . 6.530 3.848 3.328 4.430 . 0 0 "[ . 1 . 2]" 1
732 1 63 ILE MD 1 67 ALA MB . . 7.560 2.081 1.792 3.012 . 0 0 "[ . 1 . 2]" 1
733 1 63 ILE MD 1 68 SER H . . 6.530 5.170 3.795 6.451 . 0 0 "[ . 1 . 2]" 1
734 1 63 ILE HG12 1 64 GLN H . . 5.500 4.270 1.788 4.578 . 0 0 "[ . 1 . 2]" 1
735 1 63 ILE HG13 1 64 GLN H . . 5.500 3.365 2.479 4.453 . 0 0 "[ . 1 . 2]" 1
736 1 63 ILE MG 1 64 GLN H . . 5.500 3.466 2.986 3.668 . 0 0 "[ . 1 . 2]" 1
737 1 63 ILE MG 1 75 LYS QB . . 7.100 2.902 2.287 4.143 . 0 0 "[ . 1 . 2]" 1
738 1 64 GLN H 1 64 GLN HB2 . . 3.640 2.755 2.235 3.663 0.023 2 0 "[ . 1 . 2]" 1
739 1 64 GLN H 1 64 GLN QB . . 3.360 2.493 2.182 2.932 . 0 0 "[ . 1 . 2]" 1
740 1 64 GLN H 1 64 GLN HB3 . . 3.640 3.286 2.424 3.727 0.087 13 0 "[ . 1 . 2]" 1
741 1 64 GLN H 1 64 GLN HG2 . . 4.630 3.463 1.839 4.487 . 0 0 "[ . 1 . 2]" 1
742 1 64 GLN H 1 64 GLN HG3 . . 4.630 3.381 2.289 4.669 0.039 14 0 "[ . 1 . 2]" 1
743 1 64 GLN H 1 65 LYS H . . 5.030 4.518 4.363 4.617 . 0 0 "[ . 1 . 2]" 1
744 1 64 GLN H 1 67 ALA MB . . 5.850 3.485 2.268 5.439 . 0 0 "[ . 1 . 2]" 1
745 1 64 GLN HA 1 65 LYS H . . 2.930 2.409 2.209 2.694 . 0 0 "[ . 1 . 2]" 1
746 1 64 GLN HA 1 65 LYS QB . . 5.020 4.175 3.991 4.277 . 0 0 "[ . 1 . 2]" 1
747 1 64 GLN QB 1 65 LYS H . . 3.970 2.627 1.997 3.581 . 0 0 "[ . 1 . 2]" 1
748 1 64 GLN HB2 1 65 LYS H . . 4.200 3.500 2.179 4.190 . 0 0 "[ . 1 . 2]" 1
749 1 64 GLN HB3 1 65 LYS H . . 4.200 2.945 2.020 4.001 . 0 0 "[ . 1 . 2]" 1
750 1 64 GLN HG2 1 65 LYS H . . 5.500 3.977 2.035 5.064 . 0 0 "[ . 1 . 2]" 1
751 1 64 GLN HG3 1 65 LYS H . . 5.500 4.274 2.671 5.115 . 0 0 "[ . 1 . 2]" 1
752 1 65 LYS H 1 65 LYS HB2 . . 3.050 2.520 2.270 2.664 . 0 0 "[ . 1 . 2]" 1
753 1 65 LYS H 1 65 LYS QB . . 2.860 2.256 2.190 2.319 . 0 0 "[ . 1 . 2]" 1
754 1 65 LYS H 1 65 LYS HB3 . . 3.050 2.577 2.412 3.020 . 0 0 "[ . 1 . 2]" 1
755 1 65 LYS H 1 65 LYS HG2 . . 5.500 4.456 4.126 4.540 . 0 0 "[ . 1 . 2]" 1
756 1 65 LYS H 1 65 LYS HG3 . . 5.500 4.465 4.325 4.579 . 0 0 "[ . 1 . 2]" 1
757 1 65 LYS HA 1 67 ALA H . . 4.450 3.934 3.345 4.468 0.018 20 0 "[ . 1 . 2]" 1
758 1 67 ALA H 1 68 SER H . . 4.970 4.506 4.267 4.629 . 0 0 "[ . 1 . 2]" 1
759 1 67 ALA HA 1 68 SER H . . 2.830 2.317 2.133 2.672 . 0 0 "[ . 1 . 2]" 1
760 1 67 ALA MB 1 71 GLU HB2 . . 6.430 3.650 2.441 4.474 . 0 0 "[ . 1 . 2]" 1
761 1 67 ALA MB 1 71 GLU HB3 . . 5.600 2.495 1.880 3.098 . 0 0 "[ . 1 . 2]" 1
762 1 67 ALA MB 1 71 GLU HG2 . . 6.220 2.885 1.938 3.961 . 0 0 "[ . 1 . 2]" 1
763 1 67 ALA MB 1 71 GLU QG . . 5.850 2.706 1.909 3.779 . 0 0 "[ . 1 . 2]" 1
764 1 67 ALA MB 1 71 GLU HG3 . . 6.220 3.467 2.714 4.774 . 0 0 "[ . 1 . 2]" 1
765 1 67 ALA MB 1 72 VAL H . . 6.530 3.712 3.173 4.153 . 0 0 "[ . 1 . 2]" 1
766 1 68 SER H 1 68 SER HB2 . . 3.980 3.191 2.527 3.837 . 0 0 "[ . 1 . 2]" 1
767 1 68 SER H 1 68 SER QB . . 3.650 2.739 2.486 3.204 . 0 0 "[ . 1 . 2]" 1
768 1 68 SER H 1 68 SER HB3 . . 3.980 3.329 2.713 3.932 . 0 0 "[ . 1 . 2]" 1
769 1 68 SER H 1 69 ASP H . . 5.030 4.490 4.306 4.625 . 0 0 "[ . 1 . 2]" 1
770 1 68 SER H 1 71 GLU H . . 4.380 3.451 2.691 3.837 . 0 0 "[ . 1 . 2]" 1
771 1 68 SER H 1 71 GLU HB2 . . 4.570 2.960 2.133 3.710 . 0 0 "[ . 1 . 2]" 1
772 1 68 SER H 1 71 GLU HB3 . . 3.550 2.475 1.711 3.556 0.006 8 0 "[ . 1 . 2]" 1
773 1 68 SER H 1 71 GLU QG . . 6.380 3.694 2.946 5.036 . 0 0 "[ . 1 . 2]" 1
774 1 68 SER HA 1 69 ASP H . . 2.960 2.502 2.343 2.738 . 0 0 "[ . 1 . 2]" 1
775 1 68 SER QB 1 69 ASP H . . 3.350 2.261 1.846 2.678 . 0 0 "[ . 1 . 2]" 1
776 1 68 SER QB 1 70 GLU H . . 4.430 2.818 2.549 3.147 . 0 0 "[ . 1 . 2]" 1
777 1 68 SER QB 1 71 GLU H . . 4.440 3.280 2.244 4.140 . 0 0 "[ . 1 . 2]" 1
778 1 68 SER HB2 1 69 ASP H . . 3.640 2.760 1.854 3.654 0.014 19 0 "[ . 1 . 2]" 1
779 1 68 SER HB2 1 71 GLU H . . 4.940 3.419 2.272 4.420 . 0 0 "[ . 1 . 2]" 1
780 1 68 SER HB3 1 69 ASP H . . 3.640 3.036 2.011 3.689 0.049 1 0 "[ . 1 . 2]" 1
781 1 68 SER HB3 1 71 GLU H . . 4.940 4.337 3.485 4.993 0.053 12 0 "[ . 1 . 2]" 1
782 1 69 ASP H 1 69 ASP HB2 . . 3.450 2.574 2.295 2.845 . 0 0 "[ . 1 . 2]" 1
783 1 69 ASP H 1 69 ASP QB . . 3.140 2.225 2.123 2.299 . 0 0 "[ . 1 . 2]" 1
784 1 69 ASP H 1 69 ASP HB3 . . 3.450 2.515 2.193 3.547 0.097 8 0 "[ . 1 . 2]" 1
785 1 69 ASP H 1 70 GLU H . . 3.360 2.752 2.531 2.990 . 0 0 "[ . 1 . 2]" 1
786 1 69 ASP HA 1 72 VAL HB . . 2.990 2.820 2.375 3.044 0.054 4 0 "[ . 1 . 2]" 1
787 1 69 ASP HA 1 72 VAL MG1 . . 6.530 4.143 3.703 4.385 . 0 0 "[ . 1 . 2]" 1
788 1 69 ASP HA 1 72 VAL QG . . 6.060 3.044 2.650 3.362 . 0 0 "[ . 1 . 2]" 1
789 1 69 ASP HA 1 72 VAL MG2 . . 6.530 3.137 2.703 3.501 . 0 0 "[ . 1 . 2]" 1
790 1 69 ASP HA 1 73 LYS H . . 4.660 3.994 3.583 4.316 . 0 0 "[ . 1 . 2]" 1
791 1 69 ASP QB 1 70 GLU H . . 3.700 2.626 2.306 2.967 . 0 0 "[ . 1 . 2]" 1
792 1 69 ASP HB2 1 70 GLU H . . 4.200 3.875 2.750 4.207 0.007 18 0 "[ . 1 . 2]" 1
793 1 69 ASP HB3 1 70 GLU H . . 4.200 2.707 2.330 3.449 . 0 0 "[ . 1 . 2]" 1
794 1 70 GLU H 1 70 GLU HB2 . . 3.330 2.362 2.139 2.686 . 0 0 "[ . 1 . 2]" 1
795 1 70 GLU H 1 70 GLU QB . . 3.070 2.244 2.093 2.607 . 0 0 "[ . 1 . 2]" 1
796 1 70 GLU H 1 70 GLU HB3 . . 3.330 2.940 2.479 3.545 0.215 17 0 "[ . 1 . 2]" 1
797 1 70 GLU H 1 70 GLU HG2 . . 5.500 4.063 2.544 4.583 . 0 0 "[ . 1 . 2]" 1
798 1 70 GLU H 1 70 GLU HG3 . . 5.500 3.955 1.787 4.512 . 0 0 "[ . 1 . 2]" 1
799 1 70 GLU H 1 71 GLU H . . 3.240 2.730 2.495 2.878 . 0 0 "[ . 1 . 2]" 1
800 1 70 GLU HA 1 73 LYS H . . 3.730 3.679 3.375 3.787 0.057 9 0 "[ . 1 . 2]" 1
801 1 70 GLU HA 1 73 LYS QB . . 4.020 2.797 2.235 3.246 . 0 0 "[ . 1 . 2]" 1
802 1 70 GLU HA 1 73 LYS QD . . 6.070 3.971 3.110 5.435 . 0 0 "[ . 1 . 2]" 1
803 1 70 GLU HA 1 73 LYS QE . . 5.760 3.664 1.774 5.672 . 0 0 "[ . 1 . 2]" 1
804 1 70 GLU QB 1 71 GLU H . . 3.240 2.368 2.188 2.748 . 0 0 "[ . 1 . 2]" 1
805 1 70 GLU HB2 1 71 GLU H . . 3.490 3.255 2.278 3.641 0.151 15 0 "[ . 1 . 2]" 1
806 1 70 GLU HB3 1 71 GLU H . . 3.490 2.705 2.206 3.544 0.054 12 0 "[ . 1 . 2]" 1
807 1 70 GLU QG 1 71 GLU H . . 5.050 3.915 3.287 4.478 . 0 0 "[ . 1 . 2]" 1
808 1 70 GLU HG2 1 71 GLU H . . 5.500 4.340 3.381 4.988 . 0 0 "[ . 1 . 2]" 1
809 1 70 GLU HG3 1 71 GLU H . . 5.500 4.655 3.985 5.191 . 0 0 "[ . 1 . 2]" 1
810 1 71 GLU H 1 71 GLU HB2 . . 3.270 2.468 2.172 2.678 . 0 0 "[ . 1 . 2]" 1
811 1 71 GLU H 1 71 GLU HB3 . . 3.050 2.599 2.387 3.425 0.375 8 0 "[ . 1 . 2]" 1
812 1 71 GLU H 1 71 GLU HG2 . . 4.850 4.462 2.475 4.641 . 0 0 "[ . 1 . 2]" 1
813 1 71 GLU H 1 71 GLU QG . . 4.670 3.934 2.440 4.065 . 0 0 "[ . 1 . 2]" 1
814 1 71 GLU H 1 71 GLU HG3 . . 4.850 4.410 3.696 4.521 . 0 0 "[ . 1 . 2]" 1
815 1 71 GLU H 1 72 VAL H . . 3.020 2.712 2.510 2.908 . 0 0 "[ . 1 . 2]" 1
816 1 71 GLU H 1 72 VAL QG . . 8.090 4.059 3.814 4.281 . 0 0 "[ . 1 . 2]" 1
817 1 71 GLU HA 1 74 LYS H . . 4.170 3.464 3.176 3.825 . 0 0 "[ . 1 . 2]" 1
818 1 71 GLU HA 1 74 LYS QB . . 4.270 2.730 2.301 3.237 . 0 0 "[ . 1 . 2]" 1
819 1 71 GLU HA 1 74 LYS QD . . 6.380 3.745 1.728 5.642 . 0 0 "[ . 1 . 2]" 1
820 1 71 GLU HA 1 75 LYS H . . 4.110 4.089 3.835 4.243 0.133 3 0 "[ . 1 . 2]" 1
821 1 71 GLU HB2 1 72 VAL H . . 3.950 3.735 2.487 3.922 . 0 0 "[ . 1 . 2]" 1
822 1 71 GLU HB2 1 72 VAL QG . . 8.090 4.559 3.322 4.785 . 0 0 "[ . 1 . 2]" 1
823 1 71 GLU HB3 1 72 VAL H . . 3.050 2.544 2.259 3.168 0.118 8 0 "[ . 1 . 2]" 1
824 1 71 GLU HB3 1 72 VAL QG . . 8.090 3.229 2.969 3.844 . 0 0 "[ . 1 . 2]" 1
825 1 71 GLU HG2 1 72 VAL H . . 5.500 4.383 3.590 4.878 . 0 0 "[ . 1 . 2]" 1
826 1 71 GLU HG3 1 72 VAL H . . 5.500 4.036 3.273 4.931 . 0 0 "[ . 1 . 2]" 1
827 1 72 VAL H 1 72 VAL HB . . 3.050 2.548 2.496 2.599 . 0 0 "[ . 1 . 2]" 1
828 1 72 VAL H 1 73 LYS H . . 3.050 2.717 2.598 2.932 . 0 0 "[ . 1 . 2]" 1
829 1 72 VAL HA 1 75 LYS H . . 4.790 3.549 3.299 3.774 . 0 0 "[ . 1 . 2]" 1
830 1 72 VAL HA 1 75 LYS HB2 . . 4.540 3.034 2.467 4.168 . 0 0 "[ . 1 . 2]" 1
831 1 72 VAL HA 1 75 LYS QB . . 3.950 2.887 2.448 3.172 . 0 0 "[ . 1 . 2]" 1
832 1 72 VAL HA 1 75 LYS HB3 . . 4.540 4.152 3.008 4.663 0.123 8 0 "[ . 1 . 2]" 1
833 1 72 VAL HB 1 73 LYS H . . 3.450 2.575 2.399 2.706 . 0 0 "[ . 1 . 2]" 1
834 1 72 VAL QG 1 73 LYS H . . 5.830 3.174 3.076 3.268 . 0 0 "[ . 1 . 2]" 1
835 1 72 VAL QG 1 73 LYS HA . . 8.090 3.410 3.259 3.602 . 0 0 "[ . 1 . 2]" 1
836 1 72 VAL QG 1 76 LEU H . . 8.090 3.862 3.669 4.101 . 0 0 "[ . 1 . 2]" 1
837 1 72 VAL QG 1 76 LEU HG . . 7.310 4.014 2.331 5.755 . 0 0 "[ . 1 . 2]" 1
838 1 72 VAL MG1 1 73 LYS H . . 6.280 3.399 3.241 3.583 . 0 0 "[ . 1 . 2]" 1
839 1 72 VAL MG2 1 73 LYS H . . 6.280 3.813 3.704 3.878 . 0 0 "[ . 1 . 2]" 1
840 1 73 LYS H 1 73 LYS HB2 . . 3.420 2.304 2.105 2.591 . 0 0 "[ . 1 . 2]" 1
841 1 73 LYS H 1 73 LYS QB . . 3.210 2.203 2.086 2.534 . 0 0 "[ . 1 . 2]" 1
842 1 73 LYS H 1 73 LYS HB3 . . 3.420 2.968 2.436 3.582 0.162 8 0 "[ . 1 . 2]" 1
843 1 73 LYS H 1 73 LYS HG2 . . 5.500 4.243 3.085 4.631 . 0 0 "[ . 1 . 2]" 1
844 1 73 LYS H 1 73 LYS QG . . 4.710 3.556 2.089 4.038 . 0 0 "[ . 1 . 2]" 1
845 1 73 LYS H 1 73 LYS HG3 . . 5.500 3.885 2.125 4.460 . 0 0 "[ . 1 . 2]" 1
846 1 73 LYS H 1 74 LYS H . . 3.020 2.685 2.489 2.843 . 0 0 "[ . 1 . 2]" 1
847 1 73 LYS HA 1 76 LEU H . . 4.320 3.549 2.942 3.846 . 0 0 "[ . 1 . 2]" 1
848 1 73 LYS HA 1 76 LEU HB2 . . 4.260 2.959 2.112 3.948 . 0 0 "[ . 1 . 2]" 1
849 1 73 LYS HA 1 76 LEU QB . . 3.780 2.603 2.100 2.959 . 0 0 "[ . 1 . 2]" 1
850 1 73 LYS HA 1 76 LEU HB3 . . 4.260 3.479 2.284 4.349 0.089 16 0 "[ . 1 . 2]" 1
851 1 73 LYS HA 1 76 LEU QD . . 6.450 2.908 2.166 3.581 . 0 0 "[ . 1 . 2]" 1
852 1 73 LYS HA 1 77 GLU H . . 4.350 4.131 3.733 4.391 0.041 9 0 "[ . 1 . 2]" 1
853 1 73 LYS QB 1 74 LYS H . . 3.370 2.529 2.235 2.877 . 0 0 "[ . 1 . 2]" 1
854 1 73 LYS HB2 1 73 LYS HE2 . . 5.500 3.250 2.138 4.663 . 0 0 "[ . 1 . 2]" 1
855 1 73 LYS HB2 1 73 LYS HE3 . . 5.500 3.151 1.774 4.834 . 0 0 "[ . 1 . 2]" 1
856 1 73 LYS HB2 1 74 LYS H . . 3.700 3.372 2.557 3.766 0.066 10 0 "[ . 1 . 2]" 1
857 1 73 LYS HB3 1 73 LYS HE2 . . 5.500 3.588 2.138 4.747 . 0 0 "[ . 1 . 2]" 1
858 1 73 LYS HB3 1 73 LYS HE3 . . 5.500 3.571 2.377 5.500 0.000 9 0 "[ . 1 . 2]" 1
859 1 73 LYS HB3 1 74 LYS H . . 3.700 2.811 2.265 3.708 0.008 8 0 "[ . 1 . 2]" 1
860 1 73 LYS QG 1 74 LYS H . . 6.380 4.016 3.486 4.648 . 0 0 "[ . 1 . 2]" 1
861 1 74 LYS H 1 74 LYS QB . . 3.550 2.270 2.076 2.549 . 0 0 "[ . 1 . 2]" 1
862 1 74 LYS H 1 74 LYS HG2 . . 5.500 3.819 2.248 4.538 . 0 0 "[ . 1 . 2]" 1
863 1 74 LYS H 1 74 LYS HG3 . . 5.500 3.651 2.193 4.557 . 0 0 "[ . 1 . 2]" 1
864 1 74 LYS H 1 75 LYS H . . 3.050 2.709 2.482 2.885 . 0 0 "[ . 1 . 2]" 1
865 1 74 LYS H 1 76 LEU H . . 4.910 4.042 3.832 4.220 . 0 0 "[ . 1 . 2]" 1
866 1 74 LYS HA 1 77 GLU HB2 . . 3.700 3.290 2.252 3.766 0.066 12 0 "[ . 1 . 2]" 1
867 1 74 LYS HA 1 77 GLU QB . . 3.530 2.800 2.236 3.262 . 0 0 "[ . 1 . 2]" 1
868 1 74 LYS HA 1 77 GLU HB3 . . 3.700 3.210 2.427 3.781 0.081 19 0 "[ . 1 . 2]" 1
869 1 74 LYS HA 1 77 GLU QG . . 6.130 4.463 2.724 5.239 . 0 0 "[ . 1 . 2]" 1
870 1 74 LYS QB 1 75 LYS H . . 3.250 2.430 2.110 2.705 . 0 0 "[ . 1 . 2]" 1
871 1 74 LYS HB2 1 75 LYS H . . 3.580 3.015 2.140 3.698 0.118 17 0 "[ . 1 . 2]" 1
872 1 74 LYS HB3 1 75 LYS H . . 3.580 2.943 2.231 3.619 0.039 11 0 "[ . 1 . 2]" 1
873 1 74 LYS HD2 1 75 LYS H . . 5.500 4.879 2.885 5.650 0.150 5 0 "[ . 1 . 2]" 1
874 1 74 LYS HD3 1 75 LYS H . . 5.500 4.974 3.828 5.535 0.035 19 0 "[ . 1 . 2]" 1
875 1 74 LYS QG 1 75 LYS H . . 5.180 4.091 3.602 4.533 . 0 0 "[ . 1 . 2]" 1
876 1 74 LYS HG2 1 75 LYS H . . 5.500 4.611 3.735 5.135 . 0 0 "[ . 1 . 2]" 1
877 1 74 LYS HG3 1 75 LYS H . . 5.500 4.705 4.084 5.172 . 0 0 "[ . 1 . 2]" 1
878 1 75 LYS H 1 75 LYS HB2 . . 3.760 2.311 2.074 2.637 . 0 0 "[ . 1 . 2]" 1
879 1 75 LYS H 1 75 LYS QB . . 3.430 2.265 2.049 2.575 . 0 0 "[ . 1 . 2]" 1
880 1 75 LYS H 1 75 LYS HB3 . . 3.760 3.388 2.650 3.611 . 0 0 "[ . 1 . 2]" 1
881 1 75 LYS H 1 75 LYS HG2 . . 5.500 3.416 2.028 4.635 . 0 0 "[ . 1 . 2]" 1
882 1 75 LYS H 1 75 LYS HG3 . . 5.500 3.955 2.482 4.573 . 0 0 "[ . 1 . 2]" 1
883 1 75 LYS H 1 76 LEU H . . 2.990 2.619 2.437 2.771 . 0 0 "[ . 1 . 2]" 1
884 1 75 LYS HA 1 78 GLU QB . . 4.550 2.559 2.203 3.144 . 0 0 "[ . 1 . 2]" 1
885 1 75 LYS HA 1 78 GLU QG . . 6.380 3.267 2.159 4.450 . 0 0 "[ . 1 . 2]" 1
886 1 75 LYS HA 1 79 SER H . . 4.260 4.008 3.272 4.328 0.068 8 0 "[ . 1 . 2]" 1
887 1 75 LYS QB 1 76 LEU H . . 5.480 2.741 2.437 2.942 . 0 0 "[ . 1 . 2]" 1
888 1 75 LYS QB 1 76 LEU HA . . 5.360 3.962 3.798 4.218 . 0 0 "[ . 1 . 2]" 1
889 1 76 LEU H 1 76 LEU HB2 . . 3.450 2.349 2.119 2.531 . 0 0 "[ . 1 . 2]" 1
890 1 76 LEU H 1 76 LEU QB . . 3.020 2.244 2.100 2.398 . 0 0 "[ . 1 . 2]" 1
891 1 76 LEU H 1 76 LEU HB3 . . 3.450 3.109 2.552 3.568 0.118 19 0 "[ . 1 . 2]" 1
892 1 76 LEU H 1 76 LEU MD1 . . 5.570 3.650 2.547 4.078 . 0 0 "[ . 1 . 2]" 1
893 1 76 LEU H 1 76 LEU QD . . 5.170 3.291 2.516 3.716 . 0 0 "[ . 1 . 2]" 1
894 1 76 LEU H 1 76 LEU MD2 . . 5.570 3.881 3.286 4.281 . 0 0 "[ . 1 . 2]" 1
895 1 76 LEU H 1 76 LEU HG . . 4.690 3.650 2.295 4.567 . 0 0 "[ . 1 . 2]" 1
896 1 76 LEU H 1 77 GLU H . . 3.080 2.612 2.512 2.765 . 0 0 "[ . 1 . 2]" 1
897 1 76 LEU H 1 78 GLU H . . 4.820 4.154 3.975 4.393 . 0 0 "[ . 1 . 2]" 1
898 1 76 LEU HA 1 79 SER H . . 4.110 3.569 3.240 4.011 . 0 0 "[ . 1 . 2]" 1
899 1 76 LEU HA 1 81 LEU H . . 4.410 3.511 2.840 4.204 . 0 0 "[ . 1 . 2]" 1
900 1 76 LEU HA 1 81 LEU HB2 . . 5.500 3.987 2.659 4.689 . 0 0 "[ . 1 . 2]" 1
901 1 76 LEU HA 1 81 LEU QB . . 5.290 3.157 2.594 4.218 . 0 0 "[ . 1 . 2]" 1
902 1 76 LEU HA 1 81 LEU HB3 . . 5.500 3.545 2.670 5.522 0.022 15 0 "[ . 1 . 2]" 1
903 1 76 LEU HA 1 81 LEU MD2 . . 6.310 4.469 3.426 6.106 . 0 0 "[ . 1 . 2]" 1
904 1 76 LEU QB 1 77 GLU H . . 3.770 2.605 2.372 2.839 . 0 0 "[ . 1 . 2]" 1
905 1 76 LEU HB2 1 77 GLU H . . 4.010 3.213 2.440 3.893 . 0 0 "[ . 1 . 2]" 1
906 1 76 LEU HB3 1 77 GLU H . . 4.010 3.071 2.523 3.813 . 0 0 "[ . 1 . 2]" 1
907 1 76 LEU QD 1 81 LEU H . . 8.100 3.580 2.743 4.519 . 0 0 "[ . 1 . 2]" 1
908 1 76 LEU QD 1 81 LEU QB . . 7.050 2.292 1.819 3.504 . 0 0 "[ . 1 . 2]" 1
909 1 76 LEU QD 1 85 MET ME . . 9.130 3.223 2.252 4.198 . 0 0 "[ . 1 . 2]" 1
910 1 76 LEU QD 1 85 MET QG . . 5.070 2.310 1.742 3.693 . 0 0 "[ . 1 . 2]" 1
911 1 76 LEU MD1 1 77 GLU H . . 6.530 4.562 4.329 4.792 . 0 0 "[ . 1 . 2]" 1
912 1 76 LEU MD1 1 81 LEU HB2 . . 8.830 4.302 2.101 6.082 . 0 0 "[ . 1 . 2]" 1
913 1 76 LEU MD1 1 81 LEU HB3 . . 8.830 3.262 1.832 4.954 . 0 0 "[ . 1 . 2]" 1
914 1 76 LEU MD1 1 85 MET HG2 . . 5.540 3.468 2.326 4.554 . 0 0 "[ . 1 . 2]" 1
915 1 76 LEU MD1 1 85 MET HG3 . . 5.540 3.179 1.941 4.980 . 0 0 "[ . 1 . 2]" 1
916 1 76 LEU MD2 1 77 GLU H . . 6.530 4.543 4.253 4.829 . 0 0 "[ . 1 . 2]" 1
917 1 76 LEU MD2 1 81 LEU HB2 . . 8.830 4.603 2.730 5.865 . 0 0 "[ . 1 . 2]" 1
918 1 76 LEU MD2 1 81 LEU HB3 . . 8.830 3.551 2.237 4.748 . 0 0 "[ . 1 . 2]" 1
919 1 76 LEU MD2 1 85 MET HG2 . . 5.540 3.552 2.519 5.283 . 0 0 "[ . 1 . 2]" 1
920 1 76 LEU MD2 1 85 MET HG3 . . 5.540 3.077 1.820 5.293 . 0 0 "[ . 1 . 2]" 1
921 1 76 LEU HG 1 77 GLU H . . 5.500 4.395 3.917 5.180 . 0 0 "[ . 1 . 2]" 1
922 1 77 GLU H 1 77 GLU HB2 . . 3.170 2.354 2.094 2.680 . 0 0 "[ . 1 . 2]" 1
923 1 77 GLU H 1 77 GLU QB . . 2.980 2.186 2.057 2.270 . 0 0 "[ . 1 . 2]" 1
924 1 77 GLU H 1 77 GLU HB3 . . 3.170 2.737 2.364 3.486 0.316 19 0 "[ . 1 . 2]" 1
925 1 77 GLU H 1 77 GLU HG2 . . 4.540 4.227 2.806 4.528 . 0 0 "[ . 1 . 2]" 1
926 1 77 GLU H 1 77 GLU QG . . 4.340 3.764 2.308 3.965 . 0 0 "[ . 1 . 2]" 1
927 1 77 GLU H 1 77 GLU HG3 . . 4.540 4.297 2.343 4.546 0.006 17 0 "[ . 1 . 2]" 1
928 1 77 GLU H 1 78 GLU H . . 2.960 2.644 2.457 2.796 . 0 0 "[ . 1 . 2]" 1
929 1 77 GLU HA 1 80 ASN H . . 4.200 3.444 3.216 3.725 . 0 0 "[ . 1 . 2]" 1
930 1 77 GLU QB 1 78 GLU H . . 3.460 2.406 2.283 2.697 . 0 0 "[ . 1 . 2]" 1
931 1 77 GLU HB2 1 78 GLU H . . 3.640 3.517 2.462 3.763 0.123 10 0 "[ . 1 . 2]" 1
932 1 77 GLU HB3 1 78 GLU H . . 3.640 2.524 2.304 3.376 . 0 0 "[ . 1 . 2]" 1
933 1 77 GLU HG2 1 78 GLU H . . 5.500 4.176 3.241 5.033 . 0 0 "[ . 1 . 2]" 1
934 1 77 GLU HG3 1 78 GLU H . . 5.500 4.757 4.365 5.123 . 0 0 "[ . 1 . 2]" 1
935 1 78 GLU H 1 78 GLU HB2 . . 3.640 2.418 2.080 2.625 . 0 0 "[ . 1 . 2]" 1
936 1 78 GLU H 1 78 GLU QB . . 3.240 2.351 2.043 2.562 . 0 0 "[ . 1 . 2]" 1
937 1 78 GLU H 1 78 GLU HB3 . . 3.640 3.325 2.575 3.599 . 0 0 "[ . 1 . 2]" 1
938 1 78 GLU H 1 78 GLU HG2 . . 4.510 3.449 2.181 4.542 0.032 16 0 "[ . 1 . 2]" 1
939 1 78 GLU H 1 78 GLU QG . . 4.110 2.715 1.934 3.959 . 0 0 "[ . 1 . 2]" 1
940 1 78 GLU H 1 78 GLU HG3 . . 4.510 3.158 1.955 4.530 0.020 7 0 "[ . 1 . 2]" 1
941 1 78 GLU H 1 79 SER H . . 3.210 2.759 2.657 2.864 . 0 0 "[ . 1 . 2]" 1
942 1 78 GLU HA 1 80 ASN H . . 4.260 3.978 3.740 4.267 0.007 11 0 "[ . 1 . 2]" 1
943 1 78 GLU QB 1 79 SER H . . 3.470 2.530 2.313 2.715 . 0 0 "[ . 1 . 2]" 1
944 1 78 GLU HB2 1 79 SER H . . 3.670 2.930 2.427 3.756 0.086 12 0 "[ . 1 . 2]" 1
945 1 78 GLU HB3 1 79 SER H . . 3.670 3.270 2.338 3.739 0.069 19 0 "[ . 1 . 2]" 1
946 1 78 GLU HG2 1 79 SER H . . 5.500 4.723 3.888 5.072 . 0 0 "[ . 1 . 2]" 1
947 1 78 GLU HG3 1 79 SER H . . 5.500 4.603 4.065 5.200 . 0 0 "[ . 1 . 2]" 1
948 1 79 SER H 1 79 SER HB2 . . 3.450 2.548 2.453 2.741 . 0 0 "[ . 1 . 2]" 1
949 1 79 SER H 1 79 SER QB . . 3.190 2.421 2.274 2.521 . 0 0 "[ . 1 . 2]" 1
950 1 79 SER H 1 79 SER HB3 . . 3.450 3.313 2.458 3.607 0.157 16 0 "[ . 1 . 2]" 1
951 1 79 SER H 1 80 ASN H . . 3.140 2.446 2.310 2.563 . 0 0 "[ . 1 . 2]" 1
952 1 79 SER HA 1 80 ASN H . . 3.550 3.350 3.258 3.460 . 0 0 "[ . 1 . 2]" 1
953 1 79 SER QB 1 81 LEU QB . . 5.070 2.582 2.184 3.058 . 0 0 "[ . 1 . 2]" 1
954 1 79 SER QB 1 81 LEU MD1 . . 7.410 4.289 3.358 5.129 . 0 0 "[ . 1 . 2]" 1
955 1 79 SER HB2 1 81 LEU H . . 4.720 3.394 2.511 4.734 0.014 18 0 "[ . 1 . 2]" 1
956 1 79 SER HB2 1 81 LEU HB2 . . 6.260 3.191 2.381 4.320 . 0 0 "[ . 1 . 2]" 1
957 1 79 SER HB2 1 81 LEU HB3 . . 6.260 4.036 2.880 5.962 . 0 0 "[ . 1 . 2]" 1
958 1 79 SER HB2 1 81 LEU MD2 . . 5.970 3.809 2.164 4.836 . 0 0 "[ . 1 . 2]" 1
959 1 79 SER HB3 1 81 LEU H . . 4.720 3.819 2.566 4.741 0.021 17 0 "[ . 1 . 2]" 1
960 1 79 SER HB3 1 81 LEU HB2 . . 6.260 3.199 2.326 4.046 . 0 0 "[ . 1 . 2]" 1
961 1 79 SER HB3 1 81 LEU HB3 . . 6.260 4.359 3.153 5.630 . 0 0 "[ . 1 . 2]" 1
962 1 79 SER HB3 1 81 LEU MD2 . . 5.970 3.583 2.140 4.470 . 0 0 "[ . 1 . 2]" 1
963 1 80 ASN H 1 80 ASN HA . . 2.830 2.270 2.251 2.282 . 0 0 "[ . 1 . 2]" 1
964 1 80 ASN H 1 80 ASN HB2 . . 3.830 3.238 2.972 3.571 . 0 0 "[ . 1 . 2]" 1
965 1 80 ASN H 1 81 LEU H . . 3.360 2.681 2.557 3.148 . 0 0 "[ . 1 . 2]" 1
966 1 80 ASN HA 1 80 ASN HB2 . . 3.050 2.722 2.511 3.029 . 0 0 "[ . 1 . 2]" 1
967 1 80 ASN HA 1 80 ASN HB3 . . 3.050 2.846 2.491 3.032 . 0 0 "[ . 1 . 2]" 1
968 1 80 ASN HA 1 80 ASN HD21 . . 4.350 2.574 1.780 4.049 . 0 0 "[ . 1 . 2]" 1
969 1 80 ASN HA 1 80 ASN QD . . 4.020 2.492 1.774 3.735 . 0 0 "[ . 1 . 2]" 1
970 1 80 ASN HA 1 80 ASN HD22 . . 4.350 3.714 3.402 4.380 0.030 8 0 "[ . 1 . 2]" 1
971 1 80 ASN HA 1 81 LEU H . . 3.080 2.838 2.369 3.095 0.015 15 0 "[ . 1 . 2]" 1
972 1 80 ASN HB2 1 81 LEU H . . 5.030 4.394 3.904 4.622 . 0 0 "[ . 1 . 2]" 1
973 1 80 ASN HB3 1 81 LEU H . . 4.630 4.253 3.894 4.451 . 0 0 "[ . 1 . 2]" 1
974 1 80 ASN QD 1 81 LEU H . . 6.370 4.794 4.287 5.744 . 0 0 "[ . 1 . 2]" 1
975 1 81 LEU H 1 81 LEU HB2 . . 3.700 2.552 2.206 2.878 . 0 0 "[ . 1 . 2]" 1
976 1 81 LEU H 1 81 LEU QB . . 3.370 2.325 2.182 2.466 . 0 0 "[ . 1 . 2]" 1
977 1 81 LEU H 1 81 LEU HB3 . . 3.700 2.865 2.520 3.567 . 0 0 "[ . 1 . 2]" 1
978 1 81 LEU H 1 81 LEU HG . . 4.880 4.531 4.327 4.789 . 0 0 "[ . 1 . 2]" 1
979 1 81 LEU H 1 82 THR H . . 3.210 2.390 2.111 2.582 . 0 0 "[ . 1 . 2]" 1
980 1 81 LEU HA 1 82 THR H . . 3.360 3.147 2.977 3.394 0.034 6 0 "[ . 1 . 2]" 1
981 1 81 LEU QB 1 82 THR H . . 5.880 3.493 2.982 3.691 . 0 0 "[ . 1 . 2]" 1
982 1 81 LEU MD1 1 84 TYR HB2 . . 6.190 2.853 2.375 3.729 . 0 0 "[ . 1 . 2]" 1
983 1 81 LEU MD1 1 84 TYR QB . . 5.960 2.262 2.069 2.977 . 0 0 "[ . 1 . 2]" 1
984 1 81 LEU MD1 1 84 TYR HB3 . . 6.190 2.457 2.081 3.209 . 0 0 "[ . 1 . 2]" 1
985 1 81 LEU MD1 1 84 TYR QD . . 8.670 2.914 1.783 3.909 . 0 0 "[ . 1 . 2]" 1
986 1 81 LEU MD1 1 84 TYR QE . . 8.660 4.265 3.547 5.252 . 0 0 "[ . 1 . 2]" 1
987 1 81 LEU MD1 1 85 MET H . . 6.530 4.382 2.638 5.179 . 0 0 "[ . 1 . 2]" 1
988 1 81 LEU MD2 1 84 TYR QD . . 8.670 3.953 2.535 6.265 . 0 0 "[ . 1 . 2]" 1
989 1 82 THR H 1 82 THR HB . . 3.110 2.717 2.514 2.825 . 0 0 "[ . 1 . 2]" 1
990 1 82 THR H 1 83 GLU H . . 3.360 2.777 2.485 2.939 . 0 0 "[ . 1 . 2]" 1
991 1 82 THR HB 1 83 GLU H . . 3.800 2.866 2.333 3.984 0.184 17 0 "[ . 1 . 2]" 1
992 1 82 THR MG 1 83 GLU H . . 6.190 3.394 2.026 4.078 . 0 0 "[ . 1 . 2]" 1
993 1 82 THR MG 1 86 LYS QD . . 6.140 4.007 2.994 4.983 . 0 0 "[ . 1 . 2]" 1
994 1 83 GLU H 1 83 GLU HB2 . . 3.390 2.406 2.173 2.710 . 0 0 "[ . 1 . 2]" 1
995 1 83 GLU H 1 83 GLU QB . . 3.160 2.282 2.121 2.631 . 0 0 "[ . 1 . 2]" 1
996 1 83 GLU H 1 83 GLU HB3 . . 3.390 3.007 2.460 3.563 0.173 17 0 "[ . 1 . 2]" 1
997 1 83 GLU H 1 83 GLU HG2 . . 5.280 3.905 2.068 4.582 . 0 0 "[ . 1 . 2]" 1
998 1 83 GLU H 1 83 GLU QG . . 4.550 3.344 2.052 4.051 . 0 0 "[ . 1 . 2]" 1
999 1 83 GLU H 1 83 GLU HG3 . . 5.280 3.857 2.075 4.514 . 0 0 "[ . 1 . 2]" 1
1000 1 83 GLU H 1 84 TYR H . . 2.990 2.708 2.600 2.860 . 0 0 "[ . 1 . 2]" 1
1001 1 83 GLU HA 1 86 LYS H . . 4.230 3.574 3.127 4.163 . 0 0 "[ . 1 . 2]" 1
1002 1 83 GLU HA 1 86 LYS QB . . 4.580 2.976 2.152 3.691 . 0 0 "[ . 1 . 2]" 1
1003 1 83 GLU HB2 1 84 TYR H . . 3.640 3.259 2.360 3.768 0.128 3 0 "[ . 1 . 2]" 1
1004 1 83 GLU HB3 1 84 TYR H . . 3.640 2.905 2.308 3.735 0.095 12 0 "[ . 1 . 2]" 1
1005 1 83 GLU HG2 1 84 TYR H . . 5.500 4.337 3.471 5.269 . 0 0 "[ . 1 . 2]" 1
1006 1 83 GLU HG3 1 84 TYR H . . 5.500 4.597 3.945 5.206 . 0 0 "[ . 1 . 2]" 1
1007 1 84 TYR H 1 84 TYR HB2 . . 2.930 2.530 2.281 2.831 . 0 0 "[ . 1 . 2]" 1
1008 1 84 TYR H 1 84 TYR HB3 . . 2.930 2.532 2.318 2.772 . 0 0 "[ . 1 . 2]" 1
1009 1 84 TYR HA 1 87 GLU QG . . 6.380 4.403 2.572 6.432 0.052 5 0 "[ . 1 . 2]" 1
1010 1 84 TYR QB 1 85 MET H . . 4.250 2.837 2.582 3.034 . 0 0 "[ . 1 . 2]" 1
1011 1 84 TYR HB2 1 85 MET H . . 4.450 4.025 3.812 4.171 . 0 0 "[ . 1 . 2]" 1
1012 1 84 TYR HB3 1 85 MET H . . 4.450 2.901 2.617 3.128 . 0 0 "[ . 1 . 2]" 1
1013 1 84 TYR QD 1 85 MET H . . 7.640 3.974 3.337 4.461 . 0 0 "[ . 1 . 2]" 1
1014 1 85 MET H 1 85 MET HB2 . . 3.360 2.339 2.117 2.583 . 0 0 "[ . 1 . 2]" 1
1015 1 85 MET H 1 85 MET QB . . 3.120 2.238 2.097 2.379 . 0 0 "[ . 1 . 2]" 1
1016 1 85 MET H 1 85 MET HB3 . . 3.360 3.043 2.530 3.563 0.203 3 0 "[ . 1 . 2]" 1
1017 1 85 MET H 1 85 MET ME . . 6.530 5.434 4.395 5.866 . 0 0 "[ . 1 . 2]" 1
1018 1 85 MET H 1 85 MET HG2 . . 4.820 3.799 2.311 4.635 . 0 0 "[ . 1 . 2]" 1
1019 1 85 MET H 1 85 MET QG . . 4.600 3.505 2.289 4.075 . 0 0 "[ . 1 . 2]" 1
1020 1 85 MET H 1 85 MET HG3 . . 4.820 4.316 3.705 4.700 . 0 0 "[ . 1 . 2]" 1
1021 1 85 MET H 1 86 LYS H . . 3.210 2.438 2.193 2.587 . 0 0 "[ . 1 . 2]" 1
1022 1 85 MET HA 1 85 MET ME . . 5.780 3.927 2.900 4.416 . 0 0 "[ . 1 . 2]" 1
1023 1 85 MET QB 1 86 LYS H . . 4.490 2.749 2.465 3.115 . 0 0 "[ . 1 . 2]" 1
1024 1 86 LYS H 1 86 LYS HB2 . . 3.170 2.525 2.116 2.789 . 0 0 "[ . 1 . 2]" 1
1025 1 86 LYS H 1 86 LYS HB3 . . 3.170 2.650 2.407 3.504 0.334 19 0 "[ . 1 . 2]" 1
1026 1 86 LYS H 1 86 LYS HG2 . . 5.500 4.444 3.573 4.600 . 0 0 "[ . 1 . 2]" 1
1027 1 86 LYS H 1 86 LYS QG . . 5.110 3.904 2.357 4.047 . 0 0 "[ . 1 . 2]" 1
1028 1 86 LYS H 1 86 LYS HG3 . . 5.500 4.359 2.391 4.586 . 0 0 "[ . 1 . 2]" 1
1029 1 86 LYS H 1 87 GLU H . . 2.960 2.497 2.140 3.038 0.078 12 0 "[ . 1 . 2]" 1
1030 1 86 LYS QB 1 87 GLU H . . 6.100 2.859 2.318 3.837 . 0 0 "[ . 1 . 2]" 1
1031 1 87 GLU H 1 87 GLU HB2 . . 3.420 2.570 2.137 3.585 0.165 10 0 "[ . 1 . 2]" 1
1032 1 87 GLU H 1 87 GLU QB . . 3.160 2.270 2.098 2.579 . 0 0 "[ . 1 . 2]" 1
1033 1 87 GLU H 1 87 GLU HB3 . . 3.420 2.657 2.372 3.542 0.122 19 0 "[ . 1 . 2]" 1
1034 1 87 GLU H 1 87 GLU HG2 . . 5.380 4.206 2.095 4.948 . 0 0 "[ . 1 . 2]" 1
1035 1 87 GLU H 1 87 GLU QG . . 4.890 3.784 2.062 4.152 . 0 0 "[ . 1 . 2]" 1
1036 1 87 GLU H 1 87 GLU HG3 . . 5.380 4.383 3.084 4.713 . 0 0 "[ . 1 . 2]" 1
1037 1 87 GLU H 1 88 LYS H . . 5.310 4.502 4.346 4.603 . 0 0 "[ . 1 . 2]" 1
1038 1 87 GLU HA 1 88 LYS H . . 2.710 2.180 2.084 2.639 . 0 0 "[ . 1 . 2]" 1
1039 1 87 GLU QB 1 88 LYS H . . 4.060 3.546 2.471 3.828 . 0 0 "[ . 1 . 2]" 1
1040 1 87 GLU HB2 1 88 LYS H . . 4.230 4.121 2.735 4.354 0.124 7 0 "[ . 1 . 2]" 1
1041 1 87 GLU HB3 1 88 LYS H . . 4.230 3.958 2.506 4.325 0.095 8 0 "[ . 1 . 2]" 1
1042 1 87 GLU HG2 1 88 LYS H . . 5.500 3.684 2.727 5.084 . 0 0 "[ . 1 . 2]" 1
1043 1 87 GLU HG3 1 88 LYS H . . 5.500 3.590 2.798 5.260 . 0 0 "[ . 1 . 2]" 1
1044 1 88 LYS H 1 88 LYS HB2 . . 3.830 3.420 2.536 3.833 0.003 16 0 "[ . 1 . 2]" 1
1045 1 88 LYS H 1 88 LYS HB3 . . 3.830 3.222 2.461 4.048 0.218 18 0 "[ . 1 . 2]" 1
1046 1 88 LYS H 1 88 LYS HG2 . . 5.500 3.187 1.774 5.264 . 0 0 "[ . 1 . 2]" 1
1047 1 88 LYS H 1 88 LYS HG3 . . 5.500 3.592 2.639 5.144 . 0 0 "[ . 1 . 2]" 1
1048 1 88 LYS HA 1 89 ILE H . . 2.740 2.318 2.099 2.788 0.048 5 0 "[ . 1 . 2]" 1
1049 1 88 LYS QB 1 89 ILE H . . 4.500 2.979 1.770 3.986 . 0 0 "[ . 1 . 2]" 1
1050 1 88 LYS HB2 1 89 ILE H . . 5.070 3.432 2.472 4.552 . 0 0 "[ . 1 . 2]" 1
1051 1 88 LYS HB3 1 89 ILE H . . 5.070 3.702 1.779 4.409 . 0 0 "[ . 1 . 2]" 1
1052 1 89 ILE H 1 89 ILE HB . . 3.050 2.731 2.341 3.374 0.324 16 0 "[ . 1 . 2]" 1
1053 1 89 ILE H 1 89 ILE HG12 . . 5.500 3.663 2.196 4.622 . 0 0 "[ . 1 . 2]" 1
1054 1 89 ILE H 1 89 ILE HG13 . . 5.500 3.376 1.838 4.722 . 0 0 "[ . 1 . 2]" 1
1055 1 89 ILE H 1 90 LYS H . . 4.910 4.488 4.312 4.604 . 0 0 "[ . 1 . 2]" 1
1056 1 89 ILE HA 1 89 ILE MD . . 4.570 3.228 2.047 3.892 . 0 0 "[ . 1 . 2]" 1
1057 1 89 ILE HA 1 90 LYS H . . 2.650 2.252 2.115 2.521 . 0 0 "[ . 1 . 2]" 1
1058 1 89 ILE HB 1 90 LYS H . . 3.860 3.839 2.655 4.051 0.191 18 0 "[ . 1 . 2]" 1
1059 1 89 ILE MD 1 90 LYS H . . 6.530 4.416 3.356 5.125 . 0 0 "[ . 1 . 2]" 1
1060 1 89 ILE MG 1 90 LYS H . . 5.320 2.472 1.974 3.566 . 0 0 "[ . 1 . 2]" 1
1061 1 90 LYS H 1 90 LYS HA . . 2.930 2.668 2.249 2.935 0.005 19 0 "[ . 1 . 2]" 1
1062 1 90 LYS H 1 90 LYS HE2 . . 5.500 4.803 3.504 5.625 0.125 11 0 "[ . 1 . 2]" 1
1063 1 90 LYS H 1 90 LYS HE3 . . 5.500 4.680 3.430 5.540 0.040 10 0 "[ . 1 . 2]" 1
1064 1 90 LYS H 1 91 ILE H . . 4.540 3.963 2.609 4.587 0.047 3 0 "[ . 1 . 2]" 1
1065 1 90 LYS HA 1 90 LYS HD2 . . 5.500 3.863 1.941 4.942 . 0 0 "[ . 1 . 2]" 1
1066 1 90 LYS HA 1 90 LYS HD3 . . 5.500 4.165 1.872 4.871 . 0 0 "[ . 1 . 2]" 1
1067 1 90 LYS HA 1 91 ILE H . . 2.650 2.384 2.133 2.799 0.149 1 0 "[ . 1 . 2]" 1
1068 1 91 ILE H 1 91 ILE HB . . 3.270 2.746 2.436 3.600 0.330 3 0 "[ . 1 . 2]" 1
1069 1 91 ILE H 1 92 ARG H . . 5.130 3.991 2.515 4.604 . 0 0 "[ . 1 . 2]" 1
1070 1 91 ILE HA 1 92 ARG H . . 2.770 2.263 2.100 2.809 0.039 3 0 "[ . 1 . 2]" 1
1071 1 91 ILE HB 1 92 ARG H . . 4.570 4.332 4.030 4.585 0.015 10 0 "[ . 1 . 2]" 1
1072 1 91 ILE MD 1 92 ARG H . . 6.530 4.716 2.583 5.556 . 0 0 "[ . 1 . 2]" 1
1073 1 91 ILE MG 1 92 ARG H . . 5.850 3.341 2.719 4.223 . 0 0 "[ . 1 . 2]" 1
1074 1 92 ARG H 1 92 ARG HB2 . . 4.140 3.089 2.444 3.902 . 0 0 "[ . 1 . 2]" 1
1075 1 92 ARG H 1 92 ARG QB . . 3.740 2.641 2.274 3.257 . 0 0 "[ . 1 . 2]" 1
1076 1 92 ARG H 1 92 ARG HB3 . . 4.140 3.044 2.514 3.867 . 0 0 "[ . 1 . 2]" 1
1077 1 92 ARG HA 1 93 MET H . . 2.960 2.266 2.124 2.981 0.021 9 0 "[ . 1 . 2]" 1
1078 1 93 MET H 1 93 MET QB . . 3.800 2.620 2.270 3.392 . 0 0 "[ . 1 . 2]" 1
1079 1 94 PRO HA 1 95 THR H . . 3.450 2.725 2.128 3.526 0.076 9 0 "[ . 1 . 2]" 1
1080 1 95 THR HA 1 96 LEU H . . 3.300 2.382 2.120 3.431 0.131 16 0 "[ . 1 . 2]" 1
1081 1 95 THR HB 1 96 LEU H . . 4.850 3.974 2.960 4.415 . 0 0 "[ . 1 . 2]" 1
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