NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485507 |
2k52   |
15821 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k52
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 1088
_Distance_constraint_stats_list.Viol_count 392
_Distance_constraint_stats_list.Viol_total 235.781
_Distance_constraint_stats_list.Viol_max 0.249
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0301
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.812 0.121 15 0 "[ . 1 . 2]"
1 2 ASP 0.007 0.007 2 0 "[ . 1 . 2]"
1 3 VAL 0.420 0.063 2 0 "[ . 1 . 2]"
1 4 GLU 0.162 0.063 2 0 "[ . 1 . 2]"
1 5 PRO 0.204 0.088 8 0 "[ . 1 . 2]"
1 6 GLY 0.074 0.031 13 0 "[ . 1 . 2]"
1 7 LYS 0.149 0.031 4 0 "[ . 1 . 2]"
1 8 PHE 0.849 0.084 11 0 "[ . 1 . 2]"
1 9 TYR 0.094 0.031 4 0 "[ . 1 . 2]"
1 10 LYS 0.011 0.011 2 0 "[ . 1 . 2]"
1 11 GLY 0.036 0.024 5 0 "[ . 1 . 2]"
1 12 VAL 1.127 0.090 2 0 "[ . 1 . 2]"
1 13 VAL 0.172 0.036 2 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.156 0.087 8 0 "[ . 1 . 2]"
1 16 ILE 0.221 0.087 8 0 "[ . 1 . 2]"
1 17 GLU 1.157 0.236 13 0 "[ . 1 . 2]"
1 18 LYS 0.095 0.033 6 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.075 0.034 7 0 "[ . 1 . 2]"
1 22 PHE 1.094 0.236 13 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.621 0.121 15 0 "[ . 1 . 2]"
1 26 ASN 0.315 0.042 18 0 "[ . 1 . 2]"
1 27 GLU 0.125 0.023 14 0 "[ . 1 . 2]"
1 28 GLN 0.421 0.249 4 0 "[ . 1 . 2]"
1 29 VAL 0.767 0.249 4 0 "[ . 1 . 2]"
1 30 ARG 0.009 0.009 17 0 "[ . 1 . 2]"
1 31 GLY 0.106 0.037 17 0 "[ . 1 . 2]"
1 32 LEU 0.023 0.012 2 0 "[ . 1 . 2]"
1 33 LEU 0.444 0.041 3 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PRO 0.946 0.085 17 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.099 0.038 18 0 "[ . 1 . 2]"
1 38 MET 0.840 0.092 8 0 "[ . 1 . 2]"
1 39 ILE 0.656 0.101 3 0 "[ . 1 . 2]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 1.158 0.092 8 0 "[ . 1 . 2]"
1 42 ARG 0.583 0.086 1 0 "[ . 1 . 2]"
1 43 LEU 0.934 0.085 17 0 "[ . 1 . 2]"
1 44 GLU 0.872 0.086 1 0 "[ . 1 . 2]"
1 45 ASN 0.379 0.055 18 0 "[ . 1 . 2]"
1 46 LEU 0.470 0.078 2 0 "[ . 1 . 2]"
1 47 ASN 0.015 0.015 20 0 "[ . 1 . 2]"
1 48 VAL 0.050 0.029 3 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.172 0.036 2 0 "[ . 1 . 2]"
1 51 GLU 0.005 0.005 1 0 "[ . 1 . 2]"
1 52 ILE 1.465 0.090 2 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.223 0.088 8 0 "[ . 1 . 2]"
1 57 ILE 0.236 0.041 8 0 "[ . 1 . 2]"
1 58 ASP 0.040 0.024 5 0 "[ . 1 . 2]"
1 59 VAL 0.055 0.024 5 0 "[ . 1 . 2]"
1 60 ARG 0.067 0.067 13 0 "[ . 1 . 2]"
1 61 PRO 0.036 0.021 16 0 "[ . 1 . 2]"
1 62 GLU 0.457 0.080 19 0 "[ . 1 . 2]"
1 63 LYS 0.489 0.080 19 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.037 0.014 3 0 "[ . 1 . 2]"
1 67 ASP 0.032 0.022 9 0 "[ . 1 . 2]"
1 68 PHE 0.003 0.003 2 0 "[ . 1 . 2]"
1 69 LYS 0.901 0.062 16 0 "[ . 1 . 2]"
1 70 TYR 0.492 0.101 3 0 "[ . 1 . 2]"
1 71 ILE 1.565 0.084 11 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.277 0.130 3 0 "[ . 1 . 2]"
1 74 GLU 0.277 0.130 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ASP H 2.710 . 3.120 2.193 2.154 2.270 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 ASP HB2 4.710 . 5.420 4.606 4.432 4.816 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 ASP QB 4.130 . 4.750 4.151 3.995 4.300 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 ASP HB3 4.710 . 5.420 4.722 4.532 4.874 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 ASP H 3.760 . 4.320 3.815 3.544 4.017 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 3 VAL MG2 4.860 . 5.590 4.608 4.181 5.242 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 26 ASN HD21 4.150 . 4.770 2.862 1.923 3.714 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QB 1 26 ASN HD22 3.920 . 4.510 3.379 2.479 4.194 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET QB 1 29 VAL MG2 4.790 . 5.510 3.660 2.540 4.389 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HB2 1 2 ASP H 4.510 . 5.190 4.312 4.078 4.564 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET HB3 1 2 ASP H 4.510 . 5.190 4.256 3.894 4.477 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET ME 1 2 ASP H 4.950 . 5.690 4.847 4.195 5.436 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET ME 1 3 VAL H 4.920 . 5.660 5.274 4.785 5.691 0.031 16 0 "[ . 1 . 2]" 1
14 1 1 MET ME 1 3 VAL MG1 4.220 . 4.850 4.395 3.946 4.873 0.023 9 0 "[ . 1 . 2]" 1
15 1 1 MET ME 1 3 VAL MG2 3.620 . 4.160 2.598 2.141 3.091 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET ME 1 9 TYR HD1 3.430 . 3.940 3.069 2.405 3.870 . 0 0 "[ . 1 . 2]" 1
17 1 1 MET ME 1 9 TYR HE1 3.720 . 4.280 3.348 2.797 4.280 . 0 0 "[ . 1 . 2]" 1
18 1 1 MET ME 1 25 LEU H 4.730 . 5.440 4.838 4.438 5.106 . 0 0 "[ . 1 . 2]" 1
19 1 1 MET ME 1 25 LEU MD1 2.820 . 3.240 3.124 2.516 3.361 0.121 15 0 "[ . 1 . 2]" 1
20 1 1 MET ME 1 26 ASN H 4.000 . 4.600 4.281 3.886 4.609 0.009 19 0 "[ . 1 . 2]" 1
21 1 1 MET ME 1 26 ASN HA 4.190 . 4.820 4.185 3.410 4.862 0.042 18 0 "[ . 1 . 2]" 1
22 1 1 MET ME 1 26 ASN HD21 4.230 . 4.860 4.046 3.002 4.873 0.013 11 0 "[ . 1 . 2]" 1
23 1 1 MET ME 1 29 VAL MG1 3.190 . 3.670 3.305 2.370 3.759 0.089 5 0 "[ . 1 . 2]" 1
24 1 1 MET ME 1 29 VAL MG2 3.370 . 3.880 3.152 2.259 3.886 0.006 1 0 "[ . 1 . 2]" 1
25 1 1 MET HG2 1 2 ASP H 4.200 . 4.830 3.191 2.531 3.796 . 0 0 "[ . 1 . 2]" 1
26 1 1 MET HG2 1 2 ASP HA 4.340 . 4.990 3.824 3.386 4.422 . 0 0 "[ . 1 . 2]" 1
27 1 1 MET HG2 1 3 VAL MG2 3.920 . 4.510 3.307 2.764 3.838 . 0 0 "[ . 1 . 2]" 1
28 1 1 MET HG2 1 29 VAL MG2 4.300 . 4.950 3.547 2.513 4.733 . 0 0 "[ . 1 . 2]" 1
29 1 1 MET HG3 1 2 ASP H 3.750 . 4.310 3.430 2.816 4.142 . 0 0 "[ . 1 . 2]" 1
30 1 1 MET HG3 1 2 ASP HA 4.970 . 5.720 5.139 4.725 5.727 0.007 2 0 "[ . 1 . 2]" 1
31 1 1 MET HG3 1 3 VAL MG2 4.390 . 5.050 4.468 3.768 5.064 0.014 15 0 "[ . 1 . 2]" 1
32 1 1 MET HG3 1 26 ASN HD21 5.500 . 6.330 5.256 3.788 6.311 . 0 0 "[ . 1 . 2]" 1
33 1 2 ASP H 1 3 VAL H 4.570 . 5.260 4.474 4.258 4.620 . 0 0 "[ . 1 . 2]" 1
34 1 2 ASP H 1 3 VAL MG2 4.640 . 5.340 4.607 3.706 4.961 . 0 0 "[ . 1 . 2]" 1
35 1 2 ASP HA 1 3 VAL H 2.670 . 3.070 2.314 2.177 2.529 . 0 0 "[ . 1 . 2]" 1
36 1 2 ASP HA 1 3 VAL HA 4.680 . 5.380 4.385 4.322 4.466 . 0 0 "[ . 1 . 2]" 1
37 1 2 ASP HA 1 3 VAL HB 4.820 . 5.540 4.614 4.465 4.771 . 0 0 "[ . 1 . 2]" 1
38 1 2 ASP QB 1 3 VAL H 3.610 . 4.150 3.502 3.184 3.759 . 0 0 "[ . 1 . 2]" 1
39 1 2 ASP HB2 1 3 VAL H 4.160 . 4.780 4.060 3.878 4.271 . 0 0 "[ . 1 . 2]" 1
40 1 2 ASP HB3 1 3 VAL H 4.160 . 4.780 3.832 3.365 4.172 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL H 1 4 GLU H 4.570 . 5.260 4.427 4.265 4.564 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL H 1 4 GLU HG3 4.570 . 5.260 4.987 4.397 5.323 0.063 2 0 "[ . 1 . 2]" 1
43 1 3 VAL H 1 29 VAL MG1 4.630 . 5.320 4.258 3.383 5.030 . 0 0 "[ . 1 . 2]" 1
44 1 3 VAL HA 1 4 GLU H 3.430 . 3.940 2.150 2.118 2.199 . 0 0 "[ . 1 . 2]" 1
45 1 3 VAL HA 1 4 GLU HB2 4.660 . 5.360 4.584 4.470 4.681 . 0 0 "[ . 1 . 2]" 1
46 1 3 VAL HA 1 4 GLU HG3 4.310 . 4.960 3.834 3.539 4.166 . 0 0 "[ . 1 . 2]" 1
47 1 3 VAL HA 1 7 LYS HB2 5.330 . 6.130 4.397 3.779 5.220 . 0 0 "[ . 1 . 2]" 1
48 1 3 VAL HA 1 9 TYR HE2 4.660 . 5.360 2.923 2.359 3.948 . 0 0 "[ . 1 . 2]" 1
49 1 3 VAL HB 1 4 GLU H 4.590 . 5.280 4.171 4.023 4.310 . 0 0 "[ . 1 . 2]" 1
50 1 3 VAL HB 1 29 VAL MG1 3.870 . 4.450 3.316 2.475 4.013 . 0 0 "[ . 1 . 2]" 1
51 1 3 VAL HB 1 56 ALA MB 4.410 . 5.070 4.440 3.884 4.864 . 0 0 "[ . 1 . 2]" 1
52 1 3 VAL HB 1 59 VAL MG1 4.400 . 5.060 3.528 2.763 4.414 . 0 0 "[ . 1 . 2]" 1
53 1 3 VAL HB 1 59 VAL MG2 3.870 . 4.450 3.149 2.490 3.602 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL HB 1 66 ILE MD 4.300 . 4.950 2.671 2.232 3.738 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL HB 1 66 ILE MG 4.690 . 5.390 3.839 3.068 4.744 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL MG1 1 4 GLU H 3.680 . 4.230 2.642 2.346 2.858 . 0 0 "[ . 1 . 2]" 1
57 1 3 VAL MG1 1 4 GLU HG3 5.080 . 5.840 4.757 4.559 5.049 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL MG1 1 7 LYS H 4.800 . 5.520 4.258 3.450 5.103 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL MG1 1 7 LYS HB2 4.190 . 4.820 3.224 2.289 4.524 . 0 0 "[ . 1 . 2]" 1
60 1 3 VAL MG1 1 9 TYR HD2 4.090 . 4.700 2.806 2.369 3.786 . 0 0 "[ . 1 . 2]" 1
61 1 3 VAL MG1 1 9 TYR HE2 3.490 . 4.010 2.243 1.878 2.815 . 0 0 "[ . 1 . 2]" 1
62 1 3 VAL MG1 1 29 VAL MG1 3.360 . 3.860 3.484 3.048 3.856 . 0 0 "[ . 1 . 2]" 1
63 1 3 VAL MG1 1 56 ALA HA 4.510 . 5.190 4.422 4.133 4.824 . 0 0 "[ . 1 . 2]" 1
64 1 3 VAL MG1 1 56 ALA MB 3.190 . 3.670 2.278 1.979 2.558 . 0 0 "[ . 1 . 2]" 1
65 1 3 VAL MG1 1 59 VAL MG1 4.280 . 4.920 3.683 2.980 4.222 . 0 0 "[ . 1 . 2]" 1
66 1 3 VAL MG1 1 59 VAL MG2 3.270 . 3.760 2.250 1.834 2.701 . 0 0 "[ . 1 . 2]" 1
67 1 3 VAL MG1 1 66 ILE MG 3.470 . 3.990 2.611 1.786 3.307 0.014 3 0 "[ . 1 . 2]" 1
68 1 3 VAL MG2 1 4 GLU H 4.100 . 4.720 3.994 3.808 4.116 . 0 0 "[ . 1 . 2]" 1
69 1 3 VAL MG2 1 9 TYR HE1 4.970 . 5.720 4.478 3.518 5.116 . 0 0 "[ . 1 . 2]" 1
70 1 3 VAL MG2 1 9 TYR HE2 4.310 . 4.960 3.300 2.475 4.309 . 0 0 "[ . 1 . 2]" 1
71 1 3 VAL MG2 1 29 VAL HB 4.410 . 5.070 3.781 3.497 4.204 . 0 0 "[ . 1 . 2]" 1
72 1 3 VAL MG2 1 29 VAL MG1 3.090 . 3.550 1.852 1.770 1.990 0.030 19 0 "[ . 1 . 2]" 1
73 1 3 VAL MG2 1 29 VAL MG2 3.770 . 4.340 2.543 1.987 3.100 . 0 0 "[ . 1 . 2]" 1
74 1 3 VAL MG2 1 30 ARG H 5.390 . 6.200 5.555 4.887 6.073 . 0 0 "[ . 1 . 2]" 1
75 1 3 VAL MG2 1 56 ALA MB 4.370 . 5.030 4.026 3.571 4.488 . 0 0 "[ . 1 . 2]" 1
76 1 3 VAL MG2 1 66 ILE MG 4.140 . 4.760 3.829 2.835 4.672 . 0 0 "[ . 1 . 2]" 1
77 1 4 GLU H 1 7 LYS H 4.780 . 5.500 4.631 3.893 5.423 . 0 0 "[ . 1 . 2]" 1
78 1 4 GLU H 1 7 LYS HB2 4.320 . 4.970 3.255 2.846 3.920 . 0 0 "[ . 1 . 2]" 1
79 1 4 GLU H 1 7 LYS HB3 4.870 . 5.600 4.263 3.870 4.711 . 0 0 "[ . 1 . 2]" 1
80 1 4 GLU HA 1 5 PRO HB3 5.130 . 5.900 5.195 4.927 5.660 . 0 0 "[ . 1 . 2]" 1
81 1 4 GLU HA 1 5 PRO HG2 4.620 . 5.310 4.519 4.264 4.801 . 0 0 "[ . 1 . 2]" 1
82 1 4 GLU HA 1 5 PRO HG3 4.610 . 5.300 4.404 4.002 4.698 . 0 0 "[ . 1 . 2]" 1
83 1 4 GLU HA 1 59 VAL MG1 4.600 . 5.290 4.093 3.355 4.750 . 0 0 "[ . 1 . 2]" 1
84 1 4 GLU HA 1 59 VAL MG2 4.200 . 4.830 2.998 2.534 3.533 . 0 0 "[ . 1 . 2]" 1
85 1 4 GLU HB2 1 5 PRO HD2 4.050 . 4.660 3.835 3.490 4.312 . 0 0 "[ . 1 . 2]" 1
86 1 4 GLU HB2 1 7 LYS H 4.630 . 5.320 4.301 3.647 5.075 . 0 0 "[ . 1 . 2]" 1
87 1 4 GLU HB2 1 7 LYS HB3 5.030 . 5.780 4.410 3.515 4.942 . 0 0 "[ . 1 . 2]" 1
88 1 4 GLU HB2 1 7 LYS HD2 5.500 . 6.330 3.894 2.145 4.587 . 0 0 "[ . 1 . 2]" 1
89 1 4 GLU HB2 1 7 LYS HD3 5.500 . 6.330 4.278 3.692 4.911 . 0 0 "[ . 1 . 2]" 1
90 1 4 GLU HB3 1 5 PRO HD2 4.360 . 5.010 2.335 1.920 2.937 . 0 0 "[ . 1 . 2]" 1
91 1 4 GLU HB3 1 7 LYS H 5.240 . 6.030 5.083 4.044 5.764 . 0 0 "[ . 1 . 2]" 1
92 1 4 GLU HB3 1 7 LYS QE 4.390 . 5.050 3.659 3.192 4.615 . 0 0 "[ . 1 . 2]" 1
93 1 4 GLU HB3 1 7 LYS QG 4.580 . 5.270 3.183 2.550 3.555 . 0 0 "[ . 1 . 2]" 1
94 1 4 GLU HB3 1 59 VAL MG2 5.130 . 5.900 4.815 4.470 5.114 . 0 0 "[ . 1 . 2]" 1
95 1 4 GLU HG2 1 5 PRO HD2 3.720 . 4.280 3.703 3.235 4.088 . 0 0 "[ . 1 . 2]" 1
96 1 4 GLU HG2 1 59 VAL MG2 5.500 . 6.330 5.223 4.760 5.830 . 0 0 "[ . 1 . 2]" 1
97 1 4 GLU HG3 1 7 LYS QG 5.120 . 5.890 3.546 3.026 3.972 . 0 0 "[ . 1 . 2]" 1
98 1 4 GLU HG3 1 59 VAL MG2 5.500 . 6.330 5.311 4.886 5.644 . 0 0 "[ . 1 . 2]" 1
99 1 5 PRO HA 1 6 GLY H 3.390 . 3.900 2.211 2.153 2.311 . 0 0 "[ . 1 . 2]" 1
100 1 5 PRO HA 1 6 GLY HA2 5.120 . 5.890 4.413 4.352 4.514 . 0 0 "[ . 1 . 2]" 1
101 1 5 PRO HA 1 6 GLY QA 4.400 . 5.060 3.953 3.922 4.043 . 0 0 "[ . 1 . 2]" 1
102 1 5 PRO HA 1 6 GLY HA3 5.120 . 5.890 4.464 4.425 4.564 . 0 0 "[ . 1 . 2]" 1
103 1 5 PRO HA 1 7 LYS H 3.910 . 4.500 3.646 3.401 3.884 . 0 0 "[ . 1 . 2]" 1
104 1 5 PRO HA 1 56 ALA MB 3.990 . 4.590 3.028 2.276 3.424 . 0 0 "[ . 1 . 2]" 1
105 1 5 PRO HA 1 57 ILE HA 5.450 . 6.270 4.655 4.297 5.348 . 0 0 "[ . 1 . 2]" 1
106 1 5 PRO HB2 1 6 GLY H 4.220 . 4.850 3.798 3.214 4.304 . 0 0 "[ . 1 . 2]" 1
107 1 5 PRO HB2 1 56 ALA MB 4.900 . 5.640 5.367 4.517 5.728 0.088 8 0 "[ . 1 . 2]" 1
108 1 5 PRO HB2 1 59 VAL MG2 4.650 . 5.350 4.405 3.957 4.885 . 0 0 "[ . 1 . 2]" 1
109 1 5 PRO HB3 1 6 GLY H 4.490 . 5.160 3.962 3.205 4.406 . 0 0 "[ . 1 . 2]" 1
110 1 5 PRO HB3 1 56 ALA MB 4.740 . 5.450 4.750 3.984 5.146 . 0 0 "[ . 1 . 2]" 1
111 1 5 PRO HB3 1 59 VAL H 4.580 . 5.270 2.580 1.932 3.322 . 0 0 "[ . 1 . 2]" 1
112 1 5 PRO HB3 1 59 VAL MG1 5.320 . 6.120 5.328 4.622 5.950 . 0 0 "[ . 1 . 2]" 1
113 1 5 PRO HB3 1 59 VAL MG2 4.230 . 4.860 3.184 2.574 3.998 . 0 0 "[ . 1 . 2]" 1
114 1 5 PRO HD3 1 59 VAL H 4.660 . 5.360 3.829 2.862 4.599 . 0 0 "[ . 1 . 2]" 1
115 1 5 PRO HD3 1 59 VAL HB 4.540 . 5.220 2.711 1.910 3.236 . 0 0 "[ . 1 . 2]" 1
116 1 5 PRO HD3 1 59 VAL MG1 4.610 . 5.300 3.903 3.316 4.412 . 0 0 "[ . 1 . 2]" 1
117 1 5 PRO HD3 1 59 VAL MG2 3.740 . 4.300 2.795 2.157 3.789 . 0 0 "[ . 1 . 2]" 1
118 1 5 PRO HG2 1 59 VAL MG2 4.760 . 5.470 4.512 3.827 4.944 . 0 0 "[ . 1 . 2]" 1
119 1 5 PRO HG3 1 59 VAL H 4.290 . 4.930 3.102 1.842 4.325 . 0 0 "[ . 1 . 2]" 1
120 1 5 PRO HG3 1 59 VAL MG2 3.860 . 4.440 3.603 2.275 4.434 . 0 0 "[ . 1 . 2]" 1
121 1 6 GLY H 1 7 LYS H 3.530 . 4.060 2.371 1.927 2.734 . 0 0 "[ . 1 . 2]" 1
122 1 6 GLY H 1 7 LYS HB2 4.570 . 5.260 4.626 4.140 5.058 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLY H 1 7 LYS HB3 5.500 . 6.330 5.978 5.532 6.361 0.031 13 0 "[ . 1 . 2]" 1
124 1 6 GLY H 1 55 GLN QE 5.340 . 6.140 4.739 4.314 5.518 . 0 0 "[ . 1 . 2]" 1
125 1 6 GLY H 1 55 GLN QG 4.730 . 5.440 3.799 3.505 4.302 . 0 0 "[ . 1 . 2]" 1
126 1 6 GLY H 1 56 ALA H 4.630 . 5.320 4.210 3.499 4.955 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLY H 1 56 ALA MB 3.910 . 4.500 2.884 2.014 3.698 . 0 0 "[ . 1 . 2]" 1
128 1 6 GLY H 1 57 ILE H 5.150 . 5.920 4.715 4.229 4.995 . 0 0 "[ . 1 . 2]" 1
129 1 6 GLY H 1 59 VAL MG2 4.980 . 5.730 4.337 3.909 4.892 . 0 0 "[ . 1 . 2]" 1
130 1 6 GLY QA 1 55 GLN QE 3.640 . 4.190 2.824 2.415 3.817 . 0 0 "[ . 1 . 2]" 1
131 1 6 GLY HA2 1 55 GLN HE21 5.020 . 5.770 3.026 2.548 4.380 . 0 0 "[ . 1 . 2]" 1
132 1 6 GLY HA2 1 55 GLN HE22 5.020 . 5.770 3.927 3.341 4.576 . 0 0 "[ . 1 . 2]" 1
133 1 6 GLY HA3 1 55 GLN HE21 5.020 . 5.770 3.927 3.434 5.396 . 0 0 "[ . 1 . 2]" 1
134 1 6 GLY HA3 1 55 GLN HE22 5.020 . 5.770 4.840 4.306 5.646 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS H 1 8 PHE H 4.630 . 5.320 4.595 4.545 4.645 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS H 1 9 TYR HD2 4.970 . 5.720 5.043 4.376 5.569 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS H 1 9 TYR HE2 4.230 . 4.860 4.417 3.320 4.891 0.031 4 0 "[ . 1 . 2]" 1
138 1 7 LYS H 1 55 GLN QG 4.730 . 5.440 3.784 3.305 4.083 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS H 1 56 ALA H 4.580 . 5.270 3.731 3.420 4.136 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS H 1 56 ALA MB 4.330 . 4.980 2.791 2.385 3.091 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS HA 1 8 PHE H 3.440 . 3.960 2.312 2.178 2.473 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS HB2 1 8 PHE H 4.080 . 4.690 3.777 3.503 4.035 . 0 0 "[ . 1 . 2]" 1
143 1 7 LYS HB2 1 9 TYR HE2 3.470 . 3.990 2.241 1.817 2.524 . 0 0 "[ . 1 . 2]" 1
144 1 7 LYS HB2 1 56 ALA MB 4.670 . 5.370 3.277 2.620 3.861 . 0 0 "[ . 1 . 2]" 1
145 1 7 LYS HB3 1 8 PHE H 3.770 . 4.340 2.610 2.224 2.946 . 0 0 "[ . 1 . 2]" 1
146 1 7 LYS HB3 1 9 TYR HD2 4.280 . 4.920 3.970 3.233 4.813 . 0 0 "[ . 1 . 2]" 1
147 1 7 LYS HB3 1 9 TYR HE2 3.420 . 3.930 2.819 2.055 3.594 . 0 0 "[ . 1 . 2]" 1
148 1 7 LYS QD 1 8 PHE H 4.190 . 4.820 3.438 3.092 3.721 . 0 0 "[ . 1 . 2]" 1
149 1 7 LYS QD 1 9 TYR HE2 4.920 . 5.660 4.484 3.455 5.333 . 0 0 "[ . 1 . 2]" 1
150 1 7 LYS HD2 1 8 PHE H 4.940 . 5.680 4.152 3.457 5.416 . 0 0 "[ . 1 . 2]" 1
151 1 7 LYS HD3 1 8 PHE H 4.940 . 5.680 3.805 3.456 4.127 . 0 0 "[ . 1 . 2]" 1
152 1 7 LYS QE 1 8 PHE H 5.340 . 6.140 5.009 3.568 5.715 . 0 0 "[ . 1 . 2]" 1
153 1 7 LYS QG 1 9 TYR HE2 4.650 . 5.350 3.205 2.628 3.878 . 0 0 "[ . 1 . 2]" 1
154 1 7 LYS HG2 1 8 PHE H 4.890 . 5.620 4.881 4.703 5.024 . 0 0 "[ . 1 . 2]" 1
155 1 7 LYS HG3 1 8 PHE H 4.890 . 5.620 4.886 4.543 5.128 . 0 0 "[ . 1 . 2]" 1
156 1 8 PHE H 1 9 TYR HE2 5.000 . 5.750 4.864 4.380 5.550 . 0 0 "[ . 1 . 2]" 1
157 1 8 PHE HA 1 53 ILE MG 5.010 . 5.760 4.571 4.274 4.900 . 0 0 "[ . 1 . 2]" 1
158 1 8 PHE HA 1 55 GLN HA 4.590 . 5.280 2.428 2.065 2.570 . 0 0 "[ . 1 . 2]" 1
159 1 8 PHE HA 1 56 ALA H 4.190 . 4.820 3.672 3.362 4.008 . 0 0 "[ . 1 . 2]" 1
160 1 8 PHE HB3 1 53 ILE MG 4.650 . 5.350 3.681 3.131 4.024 . 0 0 "[ . 1 . 2]" 1
161 1 8 PHE QD 1 53 ILE MG 3.900 . 4.490 3.846 3.432 4.234 . 0 0 "[ . 1 . 2]" 1
162 1 8 PHE QD 1 55 GLN HE21 5.500 . 6.330 3.643 3.077 4.391 . 0 0 "[ . 1 . 2]" 1
163 1 8 PHE QD 1 55 GLN QE 4.850 . 5.580 3.519 3.009 4.193 . 0 0 "[ . 1 . 2]" 1
164 1 8 PHE QD 1 55 GLN HE22 5.500 . 6.330 4.704 4.254 5.316 . 0 0 "[ . 1 . 2]" 1
165 1 8 PHE QD 1 55 GLN QG 4.730 . 5.440 3.371 2.772 3.797 . 0 0 "[ . 1 . 2]" 1
166 1 8 PHE QD 1 71 ILE MD 4.190 . 4.820 2.264 1.900 3.316 . 0 0 "[ . 1 . 2]" 1
167 1 8 PHE QE 1 55 GLN HE21 4.810 . 5.530 2.767 2.044 3.661 . 0 0 "[ . 1 . 2]" 1
168 1 8 PHE QE 1 55 GLN HE22 4.810 . 5.530 3.111 2.474 3.676 . 0 0 "[ . 1 . 2]" 1
169 1 8 PHE QE 1 71 ILE HB 4.450 . 5.120 4.144 3.616 5.028 . 0 0 "[ . 1 . 2]" 1
170 1 8 PHE QE 1 71 ILE MD 3.750 . 4.310 2.308 1.804 2.703 . 0 0 "[ . 1 . 2]" 1
171 1 8 PHE QE 1 71 ILE HG12 4.900 . 5.640 4.986 3.710 5.475 . 0 0 "[ . 1 . 2]" 1
172 1 8 PHE QE 1 71 ILE HG13 4.710 . 5.420 4.712 4.398 5.149 . 0 0 "[ . 1 . 2]" 1
173 1 8 PHE QE 1 71 ILE MG 4.620 . 5.310 3.500 1.813 4.322 . 0 0 "[ . 1 . 2]" 1
174 1 8 PHE HZ 1 55 GLN QE 4.340 . 4.990 3.183 2.582 4.109 . 0 0 "[ . 1 . 2]" 1
175 1 8 PHE HZ 1 71 ILE HB 5.500 . 6.330 5.678 4.872 6.366 0.036 3 0 "[ . 1 . 2]" 1
176 1 8 PHE HZ 1 71 ILE MD 3.430 . 3.940 3.879 3.213 4.024 0.084 11 0 "[ . 1 . 2]" 1
177 1 8 PHE HZ 1 71 ILE MG 4.790 . 5.510 4.413 3.827 5.041 . 0 0 "[ . 1 . 2]" 1
178 1 9 TYR H 1 10 LYS H 4.760 . 5.470 4.409 4.282 4.464 . 0 0 "[ . 1 . 2]" 1
179 1 9 TYR H 1 25 LEU MD2 5.350 . 6.150 4.438 4.136 4.927 . 0 0 "[ . 1 . 2]" 1
180 1 9 TYR H 1 53 ILE MG 4.550 . 5.230 3.850 3.575 4.281 . 0 0 "[ . 1 . 2]" 1
181 1 9 TYR H 1 54 VAL H 4.560 . 5.240 3.618 3.419 3.854 . 0 0 "[ . 1 . 2]" 1
182 1 9 TYR H 1 54 VAL QG 4.710 . 5.420 3.720 3.499 3.915 . 0 0 "[ . 1 . 2]" 1
183 1 9 TYR H 1 56 ALA H 4.920 . 5.660 4.165 3.606 4.535 . 0 0 "[ . 1 . 2]" 1
184 1 9 TYR HA 1 10 LYS H 3.230 . 3.710 2.305 2.181 2.390 . 0 0 "[ . 1 . 2]" 1
185 1 9 TYR HB2 1 10 LYS H 3.850 . 4.430 3.884 3.631 4.243 . 0 0 "[ . 1 . 2]" 1
186 1 9 TYR HB2 1 25 LEU MD1 4.090 . 4.700 2.337 1.964 2.825 . 0 0 "[ . 1 . 2]" 1
187 1 9 TYR HB2 1 25 LEU MD2 3.920 . 4.510 2.542 1.916 3.019 . 0 0 "[ . 1 . 2]" 1
188 1 9 TYR HB2 1 54 VAL QG 4.820 . 5.540 3.569 2.894 3.961 . 0 0 "[ . 1 . 2]" 1
189 1 9 TYR HB3 1 10 LYS H 3.920 . 4.510 2.703 2.435 3.274 . 0 0 "[ . 1 . 2]" 1
190 1 9 TYR HB3 1 25 LEU MD1 4.220 . 4.850 2.719 2.287 3.450 . 0 0 "[ . 1 . 2]" 1
191 1 9 TYR HB3 1 25 LEU MD2 3.970 . 4.570 2.374 2.141 2.944 . 0 0 "[ . 1 . 2]" 1
192 1 9 TYR HD1 1 10 LYS H 3.970 . 4.570 3.613 3.328 4.002 . 0 0 "[ . 1 . 2]" 1
193 1 9 TYR HD2 1 25 LEU MD1 3.480 . 4.000 2.740 2.026 3.333 . 0 0 "[ . 1 . 2]" 1
194 1 9 TYR HD2 1 56 ALA H 4.130 . 4.750 3.756 2.685 4.440 . 0 0 "[ . 1 . 2]" 1
195 1 9 TYR HD2 1 56 ALA MB 3.900 . 4.490 3.108 2.533 3.629 . 0 0 "[ . 1 . 2]" 1
196 1 9 TYR HE2 1 25 LEU MD1 4.840 . 5.570 4.096 3.414 4.548 . 0 0 "[ . 1 . 2]" 1
197 1 9 TYR HE2 1 56 ALA H 5.060 . 5.820 5.066 3.474 5.747 . 0 0 "[ . 1 . 2]" 1
198 1 9 TYR HE2 1 56 ALA MB 3.710 . 4.270 3.707 2.245 4.288 0.018 6 0 "[ . 1 . 2]" 1
199 1 9 TYR HE2 1 59 VAL MG2 5.500 . 6.330 5.208 4.326 5.753 . 0 0 "[ . 1 . 2]" 1
200 1 10 LYS H 1 11 GLY H 4.390 . 5.050 4.464 4.309 4.598 . 0 0 "[ . 1 . 2]" 1
201 1 10 LYS H 1 25 LEU MD2 4.200 . 4.830 3.766 3.238 4.225 . 0 0 "[ . 1 . 2]" 1
202 1 10 LYS H 1 53 ILE MG 4.700 . 5.400 4.378 4.127 4.663 . 0 0 "[ . 1 . 2]" 1
203 1 10 LYS H 1 54 VAL H 5.500 . 6.330 4.824 4.631 4.988 . 0 0 "[ . 1 . 2]" 1
204 1 10 LYS H 1 54 VAL QG 5.500 . 6.330 4.952 4.708 5.189 . 0 0 "[ . 1 . 2]" 1
205 1 10 LYS HA 1 11 GLY H 3.240 . 3.730 2.197 2.161 2.259 . 0 0 "[ . 1 . 2]" 1
206 1 10 LYS HA 1 25 LEU MD1 5.500 . 6.330 5.786 5.370 6.341 0.011 2 0 "[ . 1 . 2]" 1
207 1 10 LYS HA 1 54 VAL H 4.090 . 4.700 2.901 2.556 3.293 . 0 0 "[ . 1 . 2]" 1
208 1 10 LYS HB2 1 11 GLY H 4.540 . 5.220 4.201 4.011 4.392 . 0 0 "[ . 1 . 2]" 1
209 1 10 LYS HB3 1 11 GLY H 4.540 . 5.220 4.202 3.977 4.413 . 0 0 "[ . 1 . 2]" 1
210 1 10 LYS QE 1 11 GLY H 5.150 . 5.920 5.116 4.505 5.444 . 0 0 "[ . 1 . 2]" 1
211 1 10 LYS HG2 1 11 GLY H 4.340 . 4.990 2.963 2.432 3.494 . 0 0 "[ . 1 . 2]" 1
212 1 10 LYS HG3 1 11 GLY H 4.470 . 5.140 3.197 2.793 3.603 . 0 0 "[ . 1 . 2]" 1
213 1 10 LYS HG3 1 52 ILE H 4.830 . 5.550 4.136 3.744 4.510 . 0 0 "[ . 1 . 2]" 1
214 1 11 GLY H 1 12 VAL H 4.550 . 5.230 4.476 4.409 4.556 . 0 0 "[ . 1 . 2]" 1
215 1 11 GLY H 1 23 ILE MG 4.040 . 4.650 3.534 3.228 3.852 . 0 0 "[ . 1 . 2]" 1
216 1 11 GLY H 1 25 LEU MD2 4.160 . 4.780 3.323 2.995 3.603 . 0 0 "[ . 1 . 2]" 1
217 1 11 GLY H 1 52 ILE H 4.430 . 5.090 3.418 3.050 3.645 . 0 0 "[ . 1 . 2]" 1
218 1 11 GLY H 1 53 ILE MG 4.780 . 5.500 5.084 4.969 5.270 . 0 0 "[ . 1 . 2]" 1
219 1 11 GLY H 1 54 VAL H 3.890 . 4.470 3.752 3.302 4.324 . 0 0 "[ . 1 . 2]" 1
220 1 11 GLY H 1 54 VAL QG 4.360 . 5.010 3.135 2.702 3.635 . 0 0 "[ . 1 . 2]" 1
221 1 11 GLY HA2 1 12 VAL H 3.520 . 4.050 2.446 2.251 2.587 . 0 0 "[ . 1 . 2]" 1
222 1 11 GLY HA2 1 23 ILE MG 3.820 . 4.390 3.313 2.924 3.518 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLY HA2 1 25 LEU MD2 3.900 . 4.490 2.724 2.268 3.039 . 0 0 "[ . 1 . 2]" 1
224 1 11 GLY HA3 1 12 VAL H 3.360 . 3.860 2.698 2.544 2.956 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLY HA3 1 12 VAL HB 5.090 . 5.850 5.237 5.113 5.417 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLY HA3 1 12 VAL MG1 5.500 . 6.330 4.427 4.278 4.675 . 0 0 "[ . 1 . 2]" 1
227 1 11 GLY HA3 1 23 ILE MG 3.610 . 4.150 2.129 2.004 2.228 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLY HA3 1 25 LEU MD2 3.730 . 4.290 1.965 1.776 2.149 0.024 5 0 "[ . 1 . 2]" 1
229 1 11 GLY HA3 1 54 VAL QG 3.710 . 4.270 3.591 3.091 4.179 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL H 1 13 VAL H 4.510 . 5.190 4.466 4.386 4.502 . 0 0 "[ . 1 . 2]" 1
231 1 12 VAL H 1 14 THR MG 4.600 . 5.290 4.844 4.517 5.182 . 0 0 "[ . 1 . 2]" 1
232 1 12 VAL H 1 23 ILE MG 3.490 . 4.010 2.518 2.106 2.733 . 0 0 "[ . 1 . 2]" 1
233 1 12 VAL H 1 24 ASN H 3.910 . 4.500 3.060 2.825 3.231 . 0 0 "[ . 1 . 2]" 1
234 1 12 VAL H 1 24 ASN HB2 4.500 . 5.180 3.671 3.116 4.196 . 0 0 "[ . 1 . 2]" 1
235 1 12 VAL H 1 25 LEU HA 4.320 . 4.970 3.864 3.524 4.170 . 0 0 "[ . 1 . 2]" 1
236 1 12 VAL H 1 25 LEU MD2 3.930 . 4.520 3.938 3.732 4.171 . 0 0 "[ . 1 . 2]" 1
237 1 12 VAL HA 1 13 VAL H 3.370 . 3.880 2.190 2.163 2.221 . 0 0 "[ . 1 . 2]" 1
238 1 12 VAL HB 1 13 VAL H 4.350 . 5.000 4.138 4.085 4.207 . 0 0 "[ . 1 . 2]" 1
239 1 12 VAL HB 1 24 ASN H 5.360 . 6.160 5.290 5.036 5.465 . 0 0 "[ . 1 . 2]" 1
240 1 12 VAL HB 1 51 GLU HG3 4.400 . 5.060 3.767 3.206 4.641 . 0 0 "[ . 1 . 2]" 1
241 1 12 VAL MG1 1 13 VAL H 3.770 . 4.340 3.891 3.786 3.989 . 0 0 "[ . 1 . 2]" 1
242 1 12 VAL MG1 1 14 THR HA 4.400 . 5.060 4.355 4.059 4.702 . 0 0 "[ . 1 . 2]" 1
243 1 12 VAL MG1 1 14 THR HB 5.500 . 6.330 5.387 5.112 5.762 . 0 0 "[ . 1 . 2]" 1
244 1 12 VAL MG1 1 14 THR MG 3.160 . 3.630 2.957 2.650 3.318 . 0 0 "[ . 1 . 2]" 1
245 1 12 VAL MG1 1 23 ILE HA 5.500 . 6.330 4.217 4.086 4.372 . 0 0 "[ . 1 . 2]" 1
246 1 12 VAL MG1 1 23 ILE MG 4.120 . 4.740 3.634 3.507 3.768 . 0 0 "[ . 1 . 2]" 1
247 1 12 VAL MG1 1 24 ASN H 4.080 . 4.690 2.934 2.758 3.091 . 0 0 "[ . 1 . 2]" 1
248 1 12 VAL MG1 1 24 ASN HB2 3.680 . 4.230 2.494 2.005 3.011 . 0 0 "[ . 1 . 2]" 1
249 1 12 VAL MG1 1 24 ASN HB3 4.550 . 5.230 3.770 3.356 4.189 . 0 0 "[ . 1 . 2]" 1
250 1 12 VAL MG1 1 49 GLY H 4.990 . 5.740 5.029 4.790 5.323 . 0 0 "[ . 1 . 2]" 1
251 1 12 VAL MG1 1 49 GLY HA2 4.960 . 5.700 4.451 4.246 4.698 . 0 0 "[ . 1 . 2]" 1
252 1 12 VAL MG2 1 13 VAL H 3.450 . 3.970 2.473 2.351 2.614 . 0 0 "[ . 1 . 2]" 1
253 1 12 VAL MG2 1 14 THR H 5.480 . 6.300 4.666 4.461 4.877 . 0 0 "[ . 1 . 2]" 1
254 1 12 VAL MG2 1 14 THR MG 3.900 . 4.490 3.918 3.475 4.249 . 0 0 "[ . 1 . 2]" 1
255 1 12 VAL MG2 1 23 ILE MG 4.510 . 5.190 4.474 4.377 4.543 . 0 0 "[ . 1 . 2]" 1
256 1 12 VAL MG2 1 24 ASN H 5.030 . 5.780 4.708 4.540 4.880 . 0 0 "[ . 1 . 2]" 1
257 1 12 VAL MG2 1 49 GLY H 4.060 . 4.670 3.053 2.759 3.376 . 0 0 "[ . 1 . 2]" 1
258 1 12 VAL MG2 1 49 GLY HA2 4.020 . 4.620 2.370 2.190 2.509 . 0 0 "[ . 1 . 2]" 1
259 1 12 VAL MG2 1 49 GLY HA3 4.460 . 5.130 3.670 3.503 3.831 . 0 0 "[ . 1 . 2]" 1
260 1 12 VAL MG2 1 50 ASP H 4.000 . 4.600 3.658 3.462 3.835 . 0 0 "[ . 1 . 2]" 1
261 1 12 VAL MG2 1 51 GLU HA 4.400 . 5.060 3.175 3.016 3.387 . 0 0 "[ . 1 . 2]" 1
262 1 12 VAL MG2 1 51 GLU QB 4.130 . 4.750 4.168 3.932 4.574 . 0 0 "[ . 1 . 2]" 1
263 1 12 VAL MG2 1 51 GLU HG2 3.440 . 3.960 2.880 2.352 3.451 . 0 0 "[ . 1 . 2]" 1
264 1 12 VAL MG2 1 51 GLU HG3 3.290 . 3.780 3.007 2.478 3.785 0.005 1 0 "[ . 1 . 2]" 1
265 1 12 VAL MG2 1 52 ILE H 4.060 . 4.670 4.726 4.683 4.760 0.090 2 0 "[ . 1 . 2]" 1
266 1 13 VAL H 1 14 THR H 4.790 . 5.510 4.529 4.450 4.586 . 0 0 "[ . 1 . 2]" 1
267 1 13 VAL H 1 14 THR MG 5.500 . 6.330 5.002 4.825 5.216 . 0 0 "[ . 1 . 2]" 1
268 1 13 VAL H 1 23 ILE MD 4.700 . 5.400 4.430 4.260 4.740 . 0 0 "[ . 1 . 2]" 1
269 1 13 VAL H 1 23 ILE QG 5.340 . 6.140 3.798 3.657 4.081 . 0 0 "[ . 1 . 2]" 1
270 1 13 VAL H 1 49 GLY H 4.580 . 5.270 3.652 3.380 3.979 . 0 0 "[ . 1 . 2]" 1
271 1 13 VAL H 1 50 ASP H 3.990 . 4.590 3.694 3.430 3.895 . 0 0 "[ . 1 . 2]" 1
272 1 13 VAL HA 1 15 ARG H 4.060 . 4.670 4.220 3.934 4.572 . 0 0 "[ . 1 . 2]" 1
273 1 13 VAL HA 1 23 ILE HA 4.390 . 5.050 2.595 2.442 2.793 . 0 0 "[ . 1 . 2]" 1
274 1 13 VAL HA 1 23 ILE MD 4.280 . 4.920 3.760 3.552 3.951 . 0 0 "[ . 1 . 2]" 1
275 1 13 VAL HA 1 23 ILE QG 4.420 . 5.080 2.139 1.914 2.324 . 0 0 "[ . 1 . 2]" 1
276 1 13 VAL HA 1 24 ASN H 4.510 . 5.190 4.063 3.889 4.335 . 0 0 "[ . 1 . 2]" 1
277 1 13 VAL HB 1 14 THR H 4.900 . 5.640 4.235 4.154 4.331 . 0 0 "[ . 1 . 2]" 1
278 1 13 VAL HB 1 15 ARG H 5.500 . 6.330 5.450 5.025 5.998 . 0 0 "[ . 1 . 2]" 1
279 1 13 VAL HB 1 23 ILE MD 5.500 . 6.330 5.062 4.880 5.368 . 0 0 "[ . 1 . 2]" 1
280 1 13 VAL HB 1 46 LEU QD 5.500 . 6.330 4.717 4.330 5.095 . 0 0 "[ . 1 . 2]" 1
281 1 13 VAL HB 1 48 VAL HA 4.740 . 5.450 3.167 2.781 3.503 . 0 0 "[ . 1 . 2]" 1
282 1 13 VAL HB 1 49 GLY H 4.070 . 4.680 2.705 2.261 3.193 . 0 0 "[ . 1 . 2]" 1
283 1 13 VAL HB 1 50 ASP H 3.470 . 3.990 2.820 2.502 3.013 . 0 0 "[ . 1 . 2]" 1
284 1 13 VAL MG1 1 14 THR H 3.620 . 4.160 2.776 2.609 2.986 . 0 0 "[ . 1 . 2]" 1
285 1 13 VAL MG1 1 14 THR HA 4.680 . 5.380 3.941 3.769 4.116 . 0 0 "[ . 1 . 2]" 1
286 1 13 VAL MG1 1 14 THR HB 5.500 . 6.330 5.256 5.063 5.373 . 0 0 "[ . 1 . 2]" 1
287 1 13 VAL MG1 1 15 ARG H 3.270 . 3.760 3.029 2.700 3.555 . 0 0 "[ . 1 . 2]" 1
288 1 13 VAL MG1 1 16 ILE QG 3.890 . 4.470 3.132 2.717 3.444 . 0 0 "[ . 1 . 2]" 1
289 1 13 VAL MG1 1 21 ALA MB 3.230 . 3.710 2.110 1.879 2.318 . 0 0 "[ . 1 . 2]" 1
290 1 13 VAL MG1 1 22 PHE H 4.000 . 4.600 3.964 3.735 4.151 . 0 0 "[ . 1 . 2]" 1
291 1 13 VAL MG1 1 22 PHE HB2 5.030 . 5.780 4.955 4.633 5.141 . 0 0 "[ . 1 . 2]" 1
292 1 13 VAL MG1 1 23 ILE HA 5.180 . 5.960 4.257 4.107 4.462 . 0 0 "[ . 1 . 2]" 1
293 1 13 VAL MG1 1 46 LEU QB 4.720 . 5.430 2.927 2.455 3.269 . 0 0 "[ . 1 . 2]" 1
294 1 13 VAL MG1 1 47 ASN HA 5.360 . 6.160 4.375 4.066 4.729 . 0 0 "[ . 1 . 2]" 1
295 1 13 VAL MG1 1 48 VAL H 4.450 . 5.120 4.350 3.942 4.701 . 0 0 "[ . 1 . 2]" 1
296 1 13 VAL MG1 1 48 VAL HA 3.750 . 4.310 2.753 2.401 3.032 . 0 0 "[ . 1 . 2]" 1
297 1 13 VAL MG1 1 49 GLY H 3.530 . 4.060 3.538 3.209 3.861 . 0 0 "[ . 1 . 2]" 1
298 1 13 VAL MG1 1 50 ASP H 3.650 . 4.200 4.166 3.931 4.236 0.036 2 0 "[ . 1 . 2]" 1
299 1 13 VAL MG1 1 50 ASP HB2 4.310 . 4.960 4.034 3.712 4.300 . 0 0 "[ . 1 . 2]" 1
300 1 13 VAL MG1 1 52 ILE MD 4.590 . 5.280 4.202 3.848 4.708 . 0 0 "[ . 1 . 2]" 1
301 1 13 VAL MG2 1 14 THR H 4.010 . 4.610 4.088 4.016 4.170 . 0 0 "[ . 1 . 2]" 1
302 1 13 VAL MG2 1 23 ILE HA 4.150 . 4.770 4.107 3.895 4.311 . 0 0 "[ . 1 . 2]" 1
303 1 13 VAL MG2 1 23 ILE MD 2.940 . 3.380 2.447 2.250 2.747 . 0 0 "[ . 1 . 2]" 1
304 1 13 VAL MG2 1 23 ILE QG 3.360 . 3.860 2.189 2.000 2.405 . 0 0 "[ . 1 . 2]" 1
305 1 13 VAL MG2 1 46 LEU HA 4.280 . 4.920 4.389 4.066 4.801 . 0 0 "[ . 1 . 2]" 1
306 1 13 VAL MG2 1 46 LEU QD 3.670 . 4.220 2.750 2.386 3.069 . 0 0 "[ . 1 . 2]" 1
307 1 13 VAL MG2 1 50 ASP H 4.280 . 4.920 3.718 3.289 4.039 . 0 0 "[ . 1 . 2]" 1
308 1 13 VAL MG2 1 50 ASP HB2 4.000 . 4.600 2.728 2.315 3.080 . 0 0 "[ . 1 . 2]" 1
309 1 13 VAL MG2 1 50 ASP HB3 3.970 . 4.570 3.519 2.993 3.935 . 0 0 "[ . 1 . 2]" 1
310 1 13 VAL MG2 1 51 GLU H 4.830 . 5.550 5.020 4.849 5.138 . 0 0 "[ . 1 . 2]" 1
311 1 13 VAL MG2 1 52 ILE HB 3.710 . 4.270 3.633 3.308 4.097 . 0 0 "[ . 1 . 2]" 1
312 1 13 VAL MG2 1 52 ILE MD 3.730 . 4.290 2.401 2.129 2.797 . 0 0 "[ . 1 . 2]" 1
313 1 14 THR H 1 15 ARG H 3.120 . 3.590 2.461 2.209 2.674 . 0 0 "[ . 1 . 2]" 1
314 1 14 THR H 1 16 ILE MD 5.220 . 6.000 5.116 4.727 5.518 . 0 0 "[ . 1 . 2]" 1
315 1 14 THR H 1 23 ILE HA 4.190 . 4.820 2.927 2.639 3.095 . 0 0 "[ . 1 . 2]" 1
316 1 14 THR H 1 23 ILE MG 5.140 . 5.910 4.638 4.342 4.839 . 0 0 "[ . 1 . 2]" 1
317 1 14 THR HA 1 48 VAL MG1 3.350 . 3.850 2.791 2.288 3.216 . 0 0 "[ . 1 . 2]" 1
318 1 14 THR HA 1 49 GLY H 4.470 . 5.140 4.114 3.817 4.429 . 0 0 "[ . 1 . 2]" 1
319 1 14 THR HB 1 15 ARG H 4.990 . 5.740 3.521 3.167 3.805 . 0 0 "[ . 1 . 2]" 1
320 1 14 THR HB 1 24 ASN QD 5.340 . 6.140 4.000 3.823 4.146 . 0 0 "[ . 1 . 2]" 1
321 1 14 THR HB 1 48 VAL MG1 4.340 . 4.990 4.370 3.904 4.775 . 0 0 "[ . 1 . 2]" 1
322 1 14 THR MG 1 15 ARG H 4.000 . 4.600 3.776 3.637 3.887 . 0 0 "[ . 1 . 2]" 1
323 1 14 THR MG 1 24 ASN H 3.820 . 4.390 2.751 2.394 3.125 . 0 0 "[ . 1 . 2]" 1
324 1 14 THR MG 1 24 ASN HA 4.710 . 5.420 4.338 3.990 4.593 . 0 0 "[ . 1 . 2]" 1
325 1 14 THR MG 1 24 ASN HB2 3.680 . 4.230 3.231 2.724 3.784 . 0 0 "[ . 1 . 2]" 1
326 1 14 THR MG 1 24 ASN HB3 4.140 . 4.760 4.214 3.903 4.434 . 0 0 "[ . 1 . 2]" 1
327 1 14 THR MG 1 24 ASN HD21 4.420 . 5.080 2.591 2.253 2.916 . 0 0 "[ . 1 . 2]" 1
328 1 14 THR MG 1 24 ASN QD 3.830 . 4.400 2.028 1.901 2.150 . 0 0 "[ . 1 . 2]" 1
329 1 14 THR MG 1 24 ASN HD22 4.420 . 5.080 2.134 1.955 2.419 . 0 0 "[ . 1 . 2]" 1
330 1 15 ARG H 1 16 ILE H 4.530 . 5.210 4.376 4.318 4.420 . 0 0 "[ . 1 . 2]" 1
331 1 15 ARG H 1 16 ILE MD 3.960 . 4.550 4.431 4.226 4.568 0.018 8 0 "[ . 1 . 2]" 1
332 1 15 ARG H 1 21 ALA HA 5.090 . 5.850 4.770 4.580 4.966 . 0 0 "[ . 1 . 2]" 1
333 1 15 ARG H 1 22 PHE H 4.100 . 4.720 3.354 3.186 3.470 . 0 0 "[ . 1 . 2]" 1
334 1 15 ARG H 1 22 PHE HA 5.500 . 6.330 5.173 4.952 5.366 . 0 0 "[ . 1 . 2]" 1
335 1 15 ARG H 1 22 PHE HB2 4.100 . 4.720 3.074 2.717 3.284 . 0 0 "[ . 1 . 2]" 1
336 1 15 ARG H 1 22 PHE HB3 4.530 . 5.210 4.355 4.041 4.654 . 0 0 "[ . 1 . 2]" 1
337 1 15 ARG H 1 23 ILE HA 4.940 . 5.680 4.985 4.674 5.383 . 0 0 "[ . 1 . 2]" 1
338 1 15 ARG HA 1 16 ILE H 3.080 . 3.540 2.276 2.176 2.359 . 0 0 "[ . 1 . 2]" 1
339 1 15 ARG HA 1 16 ILE QG 5.040 . 5.800 3.499 3.416 3.572 . 0 0 "[ . 1 . 2]" 1
340 1 15 ARG HA 1 48 VAL MG2 3.690 . 4.240 2.346 1.887 2.917 . 0 0 "[ . 1 . 2]" 1
341 1 15 ARG QB 1 16 ILE H 3.260 . 3.750 2.713 2.579 2.916 . 0 0 "[ . 1 . 2]" 1
342 1 15 ARG QB 1 22 PHE H 4.670 . 5.370 4.871 4.570 5.209 . 0 0 "[ . 1 . 2]" 1
343 1 15 ARG QB 1 22 PHE HB2 4.680 . 5.380 4.436 4.034 4.909 . 0 0 "[ . 1 . 2]" 1
344 1 15 ARG QB 1 22 PHE QD 5.240 . 6.030 4.506 3.815 4.961 . 0 0 "[ . 1 . 2]" 1
345 1 15 ARG HB2 1 16 ILE H 3.980 . 4.580 2.766 2.615 3.004 . 0 0 "[ . 1 . 2]" 1
346 1 15 ARG HB2 1 22 PHE H 5.500 . 6.330 5.339 4.877 5.853 . 0 0 "[ . 1 . 2]" 1
347 1 15 ARG HB3 1 16 ILE H 3.980 . 4.580 3.935 3.837 4.089 . 0 0 "[ . 1 . 2]" 1
348 1 15 ARG HB3 1 22 PHE H 5.500 . 6.330 5.642 5.346 5.909 . 0 0 "[ . 1 . 2]" 1
349 1 15 ARG QD 1 16 ILE H 4.650 . 5.350 4.802 4.497 5.437 0.087 8 0 "[ . 1 . 2]" 1
350 1 15 ARG HD2 1 16 ILE H 5.370 . 6.180 5.155 4.703 6.191 0.011 15 0 "[ . 1 . 2]" 1
351 1 15 ARG HG3 1 16 ILE H 4.240 . 4.880 3.992 3.587 4.408 . 0 0 "[ . 1 . 2]" 1
352 1 15 ARG HG3 1 22 PHE H 4.880 . 5.610 3.375 2.863 4.053 . 0 0 "[ . 1 . 2]" 1
353 1 15 ARG HG3 1 22 PHE QD 4.480 . 5.150 2.578 1.854 3.152 . 0 0 "[ . 1 . 2]" 1
354 1 16 ILE H 1 17 GLU H 4.600 . 5.290 4.387 4.246 4.520 . 0 0 "[ . 1 . 2]" 1
355 1 16 ILE H 1 22 PHE H 5.220 . 6.000 5.420 5.210 5.666 . 0 0 "[ . 1 . 2]" 1
356 1 16 ILE H 1 22 PHE QD 5.500 . 6.330 5.973 5.598 6.268 . 0 0 "[ . 1 . 2]" 1
357 1 16 ILE H 1 48 VAL MG2 3.640 . 4.190 3.403 2.723 4.031 . 0 0 "[ . 1 . 2]" 1
358 1 16 ILE HA 1 17 GLU H 3.260 . 3.750 2.162 2.136 2.210 . 0 0 "[ . 1 . 2]" 1
359 1 16 ILE HA 1 21 ALA HA 4.250 . 4.890 2.728 2.501 3.004 . 0 0 "[ . 1 . 2]" 1
360 1 16 ILE HA 1 21 ALA MB 3.950 . 4.540 2.803 2.529 3.000 . 0 0 "[ . 1 . 2]" 1
361 1 16 ILE HA 1 22 PHE H 4.100 . 4.720 3.985 3.638 4.296 . 0 0 "[ . 1 . 2]" 1
362 1 16 ILE HB 1 17 GLU H 4.070 . 4.680 4.284 4.110 4.409 . 0 0 "[ . 1 . 2]" 1
363 1 16 ILE MD 1 17 GLU H 4.360 . 5.010 3.770 3.669 3.916 . 0 0 "[ . 1 . 2]" 1
364 1 16 ILE MD 1 21 ALA HA 4.370 . 5.030 3.410 3.000 3.780 . 0 0 "[ . 1 . 2]" 1
365 1 16 ILE MD 1 21 ALA MB 3.400 . 3.910 2.118 1.950 2.316 . 0 0 "[ . 1 . 2]" 1
366 1 16 ILE MD 1 22 PHE H 5.400 . 6.210 4.418 4.041 4.732 . 0 0 "[ . 1 . 2]" 1
367 1 16 ILE MD 1 46 LEU H 4.600 . 5.290 4.004 3.632 4.251 . 0 0 "[ . 1 . 2]" 1
368 1 16 ILE MD 1 46 LEU HA 4.600 . 5.290 4.119 3.941 4.430 . 0 0 "[ . 1 . 2]" 1
369 1 16 ILE MD 1 46 LEU QB 3.510 . 4.040 2.017 1.835 2.303 . 0 0 "[ . 1 . 2]" 1
370 1 16 ILE MD 1 47 ASN H 4.280 . 4.920 3.905 3.406 4.476 . 0 0 "[ . 1 . 2]" 1
371 1 16 ILE MD 1 47 ASN HA 3.620 . 4.160 3.623 3.139 4.175 0.015 20 0 "[ . 1 . 2]" 1
372 1 16 ILE MD 1 47 ASN QB 4.860 . 5.590 4.984 4.528 5.317 . 0 0 "[ . 1 . 2]" 1
373 1 16 ILE MD 1 48 VAL H 4.200 . 4.830 4.493 3.932 4.859 0.029 3 0 "[ . 1 . 2]" 1
374 1 16 ILE MD 1 48 VAL HA 4.380 . 5.040 4.339 3.833 4.866 . 0 0 "[ . 1 . 2]" 1
375 1 16 ILE QG 1 17 GLU H 5.030 . 5.780 4.753 4.665 4.835 . 0 0 "[ . 1 . 2]" 1
376 1 16 ILE QG 1 48 VAL H 4.280 . 4.920 3.953 3.364 4.421 . 0 0 "[ . 1 . 2]" 1
377 1 16 ILE QG 1 48 VAL MG2 3.610 . 4.150 3.035 2.305 3.848 . 0 0 "[ . 1 . 2]" 1
378 1 16 ILE HG12 1 21 ALA MB 4.310 . 4.960 4.267 4.053 4.491 . 0 0 "[ . 1 . 2]" 1
379 1 16 ILE HG13 1 21 ALA MB 4.310 . 4.960 4.600 4.430 4.862 . 0 0 "[ . 1 . 2]" 1
380 1 16 ILE MG 1 17 GLU H 3.060 . 3.520 2.910 2.571 3.205 . 0 0 "[ . 1 . 2]" 1
381 1 16 ILE MG 1 17 GLU HA 4.230 . 4.860 3.820 3.619 3.948 . 0 0 "[ . 1 . 2]" 1
382 1 16 ILE MG 1 18 LYS HA 5.210 . 5.990 4.323 3.899 4.772 . 0 0 "[ . 1 . 2]" 1
383 1 16 ILE MG 1 21 ALA HA 4.010 . 4.610 4.075 3.795 4.356 . 0 0 "[ . 1 . 2]" 1
384 1 16 ILE MG 1 21 ALA MB 3.570 . 4.110 3.164 2.923 3.447 . 0 0 "[ . 1 . 2]" 1
385 1 16 ILE MG 1 22 PHE H 5.300 . 6.100 5.610 5.332 5.883 . 0 0 "[ . 1 . 2]" 1
386 1 16 ILE MG 1 44 GLU HA 4.920 . 5.660 4.418 3.222 5.005 . 0 0 "[ . 1 . 2]" 1
387 1 16 ILE MG 1 45 ASN H 5.500 . 6.330 5.628 5.059 6.048 . 0 0 "[ . 1 . 2]" 1
388 1 16 ILE MG 1 46 LEU H 5.030 . 5.780 4.609 4.284 4.988 . 0 0 "[ . 1 . 2]" 1
389 1 16 ILE MG 1 46 LEU QB 4.950 . 5.690 3.546 3.194 3.971 . 0 0 "[ . 1 . 2]" 1
390 1 17 GLU H 1 18 LYS H 4.450 . 5.120 4.546 4.492 4.601 . 0 0 "[ . 1 . 2]" 1
391 1 17 GLU H 1 19 TYR H 4.540 . 5.220 4.514 4.147 4.946 . 0 0 "[ . 1 . 2]" 1
392 1 17 GLU H 1 20 GLY H 3.790 . 4.360 3.768 3.656 3.921 . 0 0 "[ . 1 . 2]" 1
393 1 17 GLU H 1 21 ALA HA 3.870 . 4.450 2.543 2.290 2.837 . 0 0 "[ . 1 . 2]" 1
394 1 17 GLU H 1 21 ALA MB 4.100 . 4.720 3.505 3.189 3.819 . 0 0 "[ . 1 . 2]" 1
395 1 17 GLU H 1 22 PHE H 4.700 . 5.400 4.045 3.710 4.516 . 0 0 "[ . 1 . 2]" 1
396 1 17 GLU H 1 43 LEU MD1 4.460 . 5.130 4.169 3.804 4.668 . 0 0 "[ . 1 . 2]" 1
397 1 17 GLU H 1 43 LEU MD2 4.640 . 5.340 4.261 3.811 4.895 . 0 0 "[ . 1 . 2]" 1
398 1 17 GLU HA 1 18 LYS H 3.210 . 3.690 2.410 2.298 2.565 . 0 0 "[ . 1 . 2]" 1
399 1 17 GLU HA 1 18 LYS HA 4.400 . 5.060 4.365 4.308 4.436 . 0 0 "[ . 1 . 2]" 1
400 1 17 GLU HA 1 18 LYS HG2 4.620 . 5.310 5.053 4.844 5.321 0.011 14 0 "[ . 1 . 2]" 1
401 1 17 GLU HA 1 18 LYS HG3 4.710 . 5.420 3.818 3.688 4.021 . 0 0 "[ . 1 . 2]" 1
402 1 17 GLU HB2 1 18 LYS H 3.300 . 3.800 3.624 3.237 3.833 0.033 6 0 "[ . 1 . 2]" 1
403 1 17 GLU HB2 1 19 TYR H 3.670 . 4.220 2.826 2.543 3.081 . 0 0 "[ . 1 . 2]" 1
404 1 17 GLU HB2 1 19 TYR QD 4.010 . 4.610 3.962 3.779 4.073 . 0 0 "[ . 1 . 2]" 1
405 1 17 GLU HB2 1 20 GLY H 3.820 . 4.390 2.839 2.102 3.176 . 0 0 "[ . 1 . 2]" 1
406 1 17 GLU HB3 1 18 LYS H 3.450 . 3.970 2.484 2.087 2.813 . 0 0 "[ . 1 . 2]" 1
407 1 17 GLU HB3 1 18 LYS HA 5.500 . 6.330 4.777 4.593 5.046 . 0 0 "[ . 1 . 2]" 1
408 1 17 GLU HB3 1 18 LYS HB2 4.530 . 5.210 4.457 4.190 4.699 . 0 0 "[ . 1 . 2]" 1
409 1 17 GLU HB3 1 19 TYR H 3.540 . 4.070 2.566 2.378 2.789 . 0 0 "[ . 1 . 2]" 1
410 1 17 GLU HB3 1 19 TYR QD 3.840 . 4.420 3.281 3.079 3.458 . 0 0 "[ . 1 . 2]" 1
411 1 17 GLU QG 1 18 LYS H 4.640 . 5.340 4.321 4.075 4.572 . 0 0 "[ . 1 . 2]" 1
412 1 17 GLU QG 1 19 TYR H 4.820 . 5.540 4.337 4.156 4.478 . 0 0 "[ . 1 . 2]" 1
413 1 17 GLU QG 1 19 TYR QD 4.950 . 5.690 4.364 4.013 4.554 . 0 0 "[ . 1 . 2]" 1
414 1 17 GLU QG 1 19 TYR QE 4.000 . 4.600 3.319 2.941 3.554 . 0 0 "[ . 1 . 2]" 1
415 1 17 GLU QG 1 20 GLY H 5.460 . 6.280 4.594 3.875 4.914 . 0 0 "[ . 1 . 2]" 1
416 1 17 GLU QG 1 22 PHE QD 4.630 . 4.960 2.341 2.035 2.833 . 0 0 "[ . 1 . 2]" 1
417 1 17 GLU QG 1 22 PHE QE 4.620 . 5.310 1.845 1.564 2.143 0.236 13 0 "[ . 1 . 2]" 1
418 1 18 LYS H 1 19 TYR H 3.460 . 3.980 2.617 2.293 2.756 . 0 0 "[ . 1 . 2]" 1
419 1 18 LYS H 1 19 TYR QD 3.810 . 4.380 3.444 3.194 3.652 . 0 0 "[ . 1 . 2]" 1
420 1 18 LYS H 1 19 TYR QE 4.450 . 5.120 3.987 3.616 4.388 . 0 0 "[ . 1 . 2]" 1
421 1 18 LYS H 1 20 GLY H 4.190 . 4.820 4.186 3.815 4.324 . 0 0 "[ . 1 . 2]" 1
422 1 18 LYS HA 1 20 GLY H 4.170 . 4.800 3.906 3.732 4.161 . 0 0 "[ . 1 . 2]" 1
423 1 18 LYS HA 1 43 LEU MD1 4.160 . 4.780 3.727 3.066 4.479 . 0 0 "[ . 1 . 2]" 1
424 1 18 LYS HB2 1 19 TYR H 3.440 . 3.960 3.455 3.039 3.775 . 0 0 "[ . 1 . 2]" 1
425 1 18 LYS HB2 1 19 TYR HA 4.600 . 5.290 4.846 4.568 5.105 . 0 0 "[ . 1 . 2]" 1
426 1 18 LYS HB2 1 19 TYR QD 3.660 . 4.210 3.173 2.775 3.642 . 0 0 "[ . 1 . 2]" 1
427 1 18 LYS HB2 1 19 TYR QE 4.540 . 5.220 4.637 4.047 5.204 . 0 0 "[ . 1 . 2]" 1
428 1 18 LYS HG2 1 19 TYR H 5.300 . 6.100 5.226 5.124 5.303 . 0 0 "[ . 1 . 2]" 1
429 1 18 LYS HG3 1 19 TYR H 4.700 . 5.400 4.616 4.423 4.793 . 0 0 "[ . 1 . 2]" 1
430 1 18 LYS HG3 1 19 TYR QD 5.010 . 5.760 5.012 4.641 5.352 . 0 0 "[ . 1 . 2]" 1
431 1 19 TYR H 1 20 GLY H 3.160 . 3.630 2.171 1.962 2.450 . 0 0 "[ . 1 . 2]" 1
432 1 19 TYR H 1 32 LEU QD 5.500 . 6.330 4.578 4.346 4.946 . 0 0 "[ . 1 . 2]" 1
433 1 19 TYR HA 1 35 PRO HG3 5.070 . 5.830 4.036 3.617 5.113 . 0 0 "[ . 1 . 2]" 1
434 1 19 TYR HA 1 43 LEU MD1 4.320 . 4.970 3.877 3.599 4.487 . 0 0 "[ . 1 . 2]" 1
435 1 19 TYR HB2 1 20 GLY H 4.580 . 5.270 4.356 4.215 4.422 . 0 0 "[ . 1 . 2]" 1
436 1 19 TYR HB3 1 20 GLY H 4.620 . 5.310 4.547 4.408 4.609 . 0 0 "[ . 1 . 2]" 1
437 1 19 TYR QD 1 22 PHE HZ 5.060 . 5.820 5.178 4.597 5.650 . 0 0 "[ . 1 . 2]" 1
438 1 19 TYR QD 1 32 LEU QD 3.300 . 3.800 2.122 1.839 2.595 . 0 0 "[ . 1 . 2]" 1
439 1 19 TYR QD 1 32 LEU HG 4.710 . 5.420 4.324 3.999 4.691 . 0 0 "[ . 1 . 2]" 1
440 1 19 TYR QE 1 22 PHE HZ 3.590 . 4.130 2.918 2.388 3.410 . 0 0 "[ . 1 . 2]" 1
441 1 19 TYR QE 1 32 LEU QD 3.210 . 3.690 2.322 2.100 2.677 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLY H 1 21 ALA H 4.450 . 5.120 4.413 4.301 4.459 . 0 0 "[ . 1 . 2]" 1
443 1 20 GLY H 1 21 ALA MB 5.230 . 6.010 4.962 4.844 5.085 . 0 0 "[ . 1 . 2]" 1
444 1 20 GLY H 1 32 LEU QD 4.520 . 5.200 4.004 3.785 4.638 . 0 0 "[ . 1 . 2]" 1
445 1 20 GLY H 1 35 PRO HD3 4.580 . 5.270 3.922 3.512 4.351 . 0 0 "[ . 1 . 2]" 1
446 1 20 GLY H 1 35 PRO HG3 4.720 . 5.430 4.511 3.519 5.169 . 0 0 "[ . 1 . 2]" 1
447 1 20 GLY H 1 43 LEU MD1 3.160 . 3.630 2.580 2.378 2.836 . 0 0 "[ . 1 . 2]" 1
448 1 20 GLY H 1 43 LEU MD2 3.980 . 4.580 3.945 3.612 4.488 . 0 0 "[ . 1 . 2]" 1
449 1 20 GLY HA2 1 32 LEU QD 4.150 . 4.770 3.726 3.401 4.429 . 0 0 "[ . 1 . 2]" 1
450 1 20 GLY HA2 1 35 PRO HB3 5.060 . 5.820 4.688 4.030 5.774 . 0 0 "[ . 1 . 2]" 1
451 1 20 GLY HA2 1 35 PRO HD3 4.640 . 5.340 2.275 1.883 2.890 . 0 0 "[ . 1 . 2]" 1
452 1 20 GLY HA2 1 43 LEU MD1 3.750 . 4.310 2.172 1.934 2.553 . 0 0 "[ . 1 . 2]" 1
453 1 20 GLY HA2 1 43 LEU MD2 3.850 . 4.430 2.408 2.095 2.934 . 0 0 "[ . 1 . 2]" 1
454 1 20 GLY HA3 1 32 LEU QD 3.970 . 4.570 2.394 2.095 3.121 . 0 0 "[ . 1 . 2]" 1
455 1 20 GLY HA3 1 43 LEU MD1 4.020 . 4.620 3.589 3.395 3.869 . 0 0 "[ . 1 . 2]" 1
456 1 20 GLY HA3 1 43 LEU MD2 4.050 . 4.660 3.776 3.515 4.291 . 0 0 "[ . 1 . 2]" 1
457 1 21 ALA H 1 22 PHE H 4.900 . 5.640 4.360 4.250 4.459 . 0 0 "[ . 1 . 2]" 1
458 1 21 ALA H 1 32 LEU QD 3.800 . 4.370 2.782 2.519 3.096 . 0 0 "[ . 1 . 2]" 1
459 1 21 ALA H 1 33 LEU H 4.050 . 4.660 2.945 2.655 3.268 . 0 0 "[ . 1 . 2]" 1
460 1 21 ALA H 1 33 LEU HB3 4.390 . 5.050 2.997 2.673 3.364 . 0 0 "[ . 1 . 2]" 1
461 1 21 ALA H 1 33 LEU HG 4.390 . 5.050 4.181 3.941 4.457 . 0 0 "[ . 1 . 2]" 1
462 1 21 ALA H 1 35 PRO HD3 4.770 . 5.490 4.503 3.981 4.801 . 0 0 "[ . 1 . 2]" 1
463 1 21 ALA H 1 43 LEU MD1 4.030 . 4.630 4.107 3.394 4.664 0.034 7 0 "[ . 1 . 2]" 1
464 1 21 ALA H 1 43 LEU MD2 3.570 . 4.110 3.043 2.549 3.563 . 0 0 "[ . 1 . 2]" 1
465 1 21 ALA H 1 46 LEU QD 4.070 . 4.680 4.565 4.023 4.696 0.016 9 0 "[ . 1 . 2]" 1
466 1 21 ALA HA 1 22 PHE H 3.400 . 3.910 2.193 2.174 2.222 . 0 0 "[ . 1 . 2]" 1
467 1 21 ALA HA 1 22 PHE QD 4.840 . 5.570 3.938 3.697 4.113 . 0 0 "[ . 1 . 2]" 1
468 1 21 ALA MB 1 22 PHE H 3.590 . 4.130 3.080 2.912 3.157 . 0 0 "[ . 1 . 2]" 1
469 1 21 ALA MB 1 22 PHE QD 4.480 . 5.150 4.971 4.788 5.019 . 0 0 "[ . 1 . 2]" 1
470 1 21 ALA MB 1 32 LEU QD 4.280 . 4.920 3.887 3.793 4.013 . 0 0 "[ . 1 . 2]" 1
471 1 21 ALA MB 1 33 LEU HB3 4.110 . 4.730 2.703 2.334 3.058 . 0 0 "[ . 1 . 2]" 1
472 1 21 ALA MB 1 33 LEU HG 4.750 . 5.460 4.097 3.847 4.430 . 0 0 "[ . 1 . 2]" 1
473 1 21 ALA MB 1 43 LEU HB3 5.230 . 6.010 4.249 3.290 4.828 . 0 0 "[ . 1 . 2]" 1
474 1 21 ALA MB 1 43 LEU MD1 3.960 . 4.550 3.955 3.505 4.551 0.001 17 0 "[ . 1 . 2]" 1
475 1 21 ALA MB 1 43 LEU MD2 3.360 . 3.860 2.349 1.938 2.914 . 0 0 "[ . 1 . 2]" 1
476 1 21 ALA MB 1 46 LEU QD 2.890 . 3.320 2.595 2.313 2.888 . 0 0 "[ . 1 . 2]" 1
477 1 22 PHE H 1 23 ILE H 4.610 . 5.300 4.507 4.408 4.619 . 0 0 "[ . 1 . 2]" 1
478 1 22 PHE H 1 32 LEU QD 4.950 . 5.690 3.418 3.283 3.624 . 0 0 "[ . 1 . 2]" 1
479 1 22 PHE H 1 33 LEU HB3 5.500 . 6.330 5.670 5.432 5.994 . 0 0 "[ . 1 . 2]" 1
480 1 22 PHE HA 1 23 ILE H 3.390 . 3.900 2.143 2.109 2.227 . 0 0 "[ . 1 . 2]" 1
481 1 22 PHE HA 1 23 ILE QG 4.660 . 5.360 3.728 3.554 3.913 . 0 0 "[ . 1 . 2]" 1
482 1 22 PHE HA 1 32 LEU HA 4.620 . 5.310 2.358 2.163 2.613 . 0 0 "[ . 1 . 2]" 1
483 1 22 PHE HA 1 32 LEU QD 4.220 . 4.850 2.775 2.362 3.178 . 0 0 "[ . 1 . 2]" 1
484 1 22 PHE HA 1 33 LEU H 4.520 . 5.200 3.400 3.122 3.624 . 0 0 "[ . 1 . 2]" 1
485 1 22 PHE HB2 1 23 ILE H 4.310 . 4.960 4.336 4.177 4.446 . 0 0 "[ . 1 . 2]" 1
486 1 22 PHE HB3 1 23 ILE H 4.360 . 5.010 3.364 3.047 3.611 . 0 0 "[ . 1 . 2]" 1
487 1 22 PHE HB3 1 30 ARG HG2 4.780 . 5.500 3.788 3.033 5.509 0.009 17 0 "[ . 1 . 2]" 1
488 1 22 PHE QD 1 23 ILE H 4.230 . 4.860 3.903 3.668 4.146 . 0 0 "[ . 1 . 2]" 1
489 1 22 PHE QD 1 30 ARG HG2 3.930 . 4.520 3.000 2.286 4.104 . 0 0 "[ . 1 . 2]" 1
490 1 22 PHE QD 1 30 ARG HG3 5.500 . 6.330 3.800 3.392 4.375 . 0 0 "[ . 1 . 2]" 1
491 1 22 PHE QD 1 32 LEU HA 4.560 . 5.240 3.732 3.454 4.104 . 0 0 "[ . 1 . 2]" 1
492 1 22 PHE QD 1 32 LEU QB 4.870 . 5.600 3.472 2.932 3.892 . 0 0 "[ . 1 . 2]" 1
493 1 22 PHE QD 1 32 LEU QD 4.180 . 4.810 3.091 2.868 3.346 . 0 0 "[ . 1 . 2]" 1
494 1 22 PHE QE 1 32 LEU H 5.280 . 6.070 5.564 5.147 5.980 . 0 0 "[ . 1 . 2]" 1
495 1 22 PHE QE 1 32 LEU QB 4.600 . 5.290 3.159 2.744 3.597 . 0 0 "[ . 1 . 2]" 1
496 1 22 PHE QE 1 32 LEU QD 4.140 . 4.310 2.889 2.678 3.162 . 0 0 "[ . 1 . 2]" 1
497 1 22 PHE HZ 1 32 LEU HA 5.500 . 6.330 5.985 5.574 6.342 0.012 2 0 "[ . 1 . 2]" 1
498 1 22 PHE HZ 1 32 LEU QD 4.350 . 5.000 3.088 2.767 3.403 . 0 0 "[ . 1 . 2]" 1
499 1 23 ILE H 1 24 ASN H 4.740 . 5.450 4.405 4.292 4.475 . 0 0 "[ . 1 . 2]" 1
500 1 23 ILE H 1 24 ASN HA 5.120 . 5.890 4.957 4.793 5.082 . 0 0 "[ . 1 . 2]" 1
501 1 23 ILE H 1 32 LEU HA 4.570 . 5.260 3.148 2.539 3.546 . 0 0 "[ . 1 . 2]" 1
502 1 23 ILE H 1 32 LEU QD 4.690 . 5.390 4.241 3.767 4.575 . 0 0 "[ . 1 . 2]" 1
503 1 23 ILE H 1 33 LEU H 4.890 . 5.620 3.926 3.603 4.208 . 0 0 "[ . 1 . 2]" 1
504 1 23 ILE H 1 68 PHE HD2 4.730 . 5.440 3.722 3.343 4.096 . 0 0 "[ . 1 . 2]" 1
505 1 23 ILE H 1 68 PHE HE2 4.140 . 4.760 3.093 2.661 3.737 . 0 0 "[ . 1 . 2]" 1
506 1 23 ILE HA 1 24 ASN H 3.520 . 4.050 2.185 2.165 2.209 . 0 0 "[ . 1 . 2]" 1
507 1 23 ILE HB 1 24 ASN H 4.600 . 5.290 4.201 4.131 4.258 . 0 0 "[ . 1 . 2]" 1
508 1 23 ILE HB 1 68 PHE HD2 4.920 . 5.660 2.503 2.176 2.844 . 0 0 "[ . 1 . 2]" 1
509 1 23 ILE HB 1 68 PHE HE2 4.530 . 5.210 2.307 2.020 2.659 . 0 0 "[ . 1 . 2]" 1
510 1 23 ILE HB 1 68 PHE HZ 4.640 . 5.340 4.465 4.016 5.026 . 0 0 "[ . 1 . 2]" 1
511 1 23 ILE MD 1 24 ASN H 5.270 . 6.060 4.973 4.788 5.044 . 0 0 "[ . 1 . 2]" 1
512 1 23 ILE MD 1 33 LEU H 5.180 . 5.960 3.964 3.720 4.175 . 0 0 "[ . 1 . 2]" 1
513 1 23 ILE MD 1 33 LEU HB3 3.930 . 4.520 2.809 2.553 3.031 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE MD 1 54 VAL H 5.170 . 5.950 5.355 5.113 5.833 . 0 0 "[ . 1 . 2]" 1
515 1 23 ILE MD 1 54 VAL QG 3.690 . 4.240 2.379 2.107 2.731 . 0 0 "[ . 1 . 2]" 1
516 1 23 ILE MD 1 68 PHE HD2 3.840 . 4.420 2.909 2.685 3.221 . 0 0 "[ . 1 . 2]" 1
517 1 23 ILE MG 1 24 ASN H 3.740 . 4.300 2.591 2.411 2.697 . 0 0 "[ . 1 . 2]" 1
518 1 23 ILE MG 1 25 LEU MD1 4.590 . 5.280 4.444 4.193 4.687 . 0 0 "[ . 1 . 2]" 1
519 1 23 ILE MG 1 25 LEU HG 4.260 . 4.900 3.590 3.343 3.935 . 0 0 "[ . 1 . 2]" 1
520 1 23 ILE MG 1 31 GLY H 5.190 . 5.970 4.466 4.225 4.884 . 0 0 "[ . 1 . 2]" 1
521 1 23 ILE MG 1 52 ILE H 4.450 . 5.120 4.006 3.693 4.293 . 0 0 "[ . 1 . 2]" 1
522 1 23 ILE MG 1 54 VAL QG 3.600 . 4.140 2.817 2.438 3.221 . 0 0 "[ . 1 . 2]" 1
523 1 24 ASN H 1 25 LEU H 5.020 . 5.770 4.416 4.347 4.503 . 0 0 "[ . 1 . 2]" 1
524 1 24 ASN H 1 25 LEU HA 5.290 . 6.080 5.179 5.032 5.280 . 0 0 "[ . 1 . 2]" 1
525 1 24 ASN H 1 31 GLY H 5.250 . 6.040 4.895 4.691 5.083 . 0 0 "[ . 1 . 2]" 1
526 1 24 ASN HA 1 25 LEU H 3.550 . 4.080 2.166 2.142 2.205 . 0 0 "[ . 1 . 2]" 1
527 1 24 ASN HA 1 25 LEU MD2 4.620 . 5.310 4.471 4.121 4.620 . 0 0 "[ . 1 . 2]" 1
528 1 24 ASN HA 1 26 ASN H 3.710 . 4.270 3.459 3.135 3.766 . 0 0 "[ . 1 . 2]" 1
529 1 24 ASN HA 1 29 VAL MG1 5.140 . 5.910 4.129 3.214 4.578 . 0 0 "[ . 1 . 2]" 1
530 1 24 ASN HB2 1 25 LEU H 4.990 . 5.740 4.308 4.206 4.409 . 0 0 "[ . 1 . 2]" 1
531 1 24 ASN HB3 1 25 LEU H 4.810 . 5.530 3.451 3.201 3.608 . 0 0 "[ . 1 . 2]" 1
532 1 24 ASN HB3 1 26 ASN H 4.070 . 4.680 3.019 2.602 3.440 . 0 0 "[ . 1 . 2]" 1
533 1 25 LEU H 1 26 ASN H 3.310 . 3.810 2.271 2.118 2.416 . 0 0 "[ . 1 . 2]" 1
534 1 25 LEU H 1 29 VAL MG1 4.130 . 4.750 2.845 2.262 3.172 . 0 0 "[ . 1 . 2]" 1
535 1 25 LEU H 1 29 VAL MG2 4.680 . 5.380 4.760 4.306 5.004 . 0 0 "[ . 1 . 2]" 1
536 1 25 LEU H 1 68 PHE HZ 4.980 . 5.730 3.910 3.515 4.490 . 0 0 "[ . 1 . 2]" 1
537 1 25 LEU HB2 1 26 ASN H 3.930 . 4.520 2.987 2.675 3.201 . 0 0 "[ . 1 . 2]" 1
538 1 25 LEU HB2 1 29 VAL H 5.160 . 5.930 5.128 4.848 5.556 . 0 0 "[ . 1 . 2]" 1
539 1 25 LEU HB2 1 29 VAL MG1 3.850 . 4.430 2.179 1.978 2.496 . 0 0 "[ . 1 . 2]" 1
540 1 25 LEU HB2 1 29 VAL MG2 4.070 . 4.680 3.606 3.049 3.964 . 0 0 "[ . 1 . 2]" 1
541 1 25 LEU MD1 1 26 ASN H 5.020 . 5.770 4.829 4.574 4.980 . 0 0 "[ . 1 . 2]" 1
542 1 25 LEU MD1 1 29 VAL MG2 4.320 . 4.970 4.114 3.602 4.553 . 0 0 "[ . 1 . 2]" 1
543 1 25 LEU MD1 1 54 VAL QG 4.470 . 5.140 3.455 3.066 4.065 . 0 0 "[ . 1 . 2]" 1
544 1 25 LEU MD1 1 68 PHE HE1 3.970 . 4.570 2.072 1.839 2.380 . 0 0 "[ . 1 . 2]" 1
545 1 25 LEU MD1 1 68 PHE HZ 3.570 . 4.110 2.596 2.263 3.215 . 0 0 "[ . 1 . 2]" 1
546 1 25 LEU MD2 1 26 ASN H 4.580 . 5.270 4.596 4.530 4.648 . 0 0 "[ . 1 . 2]" 1
547 1 25 LEU MD2 1 31 GLY H 4.870 . 5.600 5.434 4.997 5.637 0.037 17 0 "[ . 1 . 2]" 1
548 1 25 LEU MD2 1 54 VAL QG 3.820 . 4.390 2.446 2.169 2.958 . 0 0 "[ . 1 . 2]" 1
549 1 25 LEU MD2 1 68 PHE HZ 4.050 . 4.660 3.264 2.985 3.540 . 0 0 "[ . 1 . 2]" 1
550 1 25 LEU HG 1 26 ASN H 4.360 . 5.010 4.348 4.164 4.473 . 0 0 "[ . 1 . 2]" 1
551 1 25 LEU HG 1 29 VAL MG1 3.740 . 4.300 2.940 2.590 3.306 . 0 0 "[ . 1 . 2]" 1
552 1 25 LEU HG 1 30 ARG H 5.500 . 6.330 5.921 5.343 6.323 . 0 0 "[ . 1 . 2]" 1
553 1 26 ASN H 1 29 VAL H 3.990 . 4.590 3.271 3.092 3.528 . 0 0 "[ . 1 . 2]" 1
554 1 26 ASN H 1 29 VAL HA 5.210 . 5.990 4.798 4.655 5.028 . 0 0 "[ . 1 . 2]" 1
555 1 26 ASN H 1 29 VAL HB 3.830 . 4.400 2.429 2.078 2.802 . 0 0 "[ . 1 . 2]" 1
556 1 26 ASN H 1 29 VAL MG1 4.010 . 4.610 3.496 3.117 3.788 . 0 0 "[ . 1 . 2]" 1
557 1 26 ASN H 1 29 VAL MG2 3.960 . 4.550 3.962 3.614 4.249 . 0 0 "[ . 1 . 2]" 1
558 1 26 ASN H 1 30 ARG H 5.350 . 6.150 5.406 5.220 5.782 . 0 0 "[ . 1 . 2]" 1
559 1 26 ASN HA 1 27 GLU HA 4.790 . 5.510 4.341 4.280 4.385 . 0 0 "[ . 1 . 2]" 1
560 1 26 ASN HA 1 27 GLU HB2 4.760 . 5.470 4.732 4.620 4.805 . 0 0 "[ . 1 . 2]" 1
561 1 26 ASN HB2 1 27 GLU H 4.020 . 4.620 3.880 3.778 4.054 . 0 0 "[ . 1 . 2]" 1
562 1 26 ASN HB2 1 28 GLN H 4.430 . 5.090 4.607 4.301 5.107 0.017 18 0 "[ . 1 . 2]" 1
563 1 26 ASN HB3 1 27 GLU H 3.710 . 4.270 3.632 3.462 3.893 . 0 0 "[ . 1 . 2]" 1
564 1 26 ASN HB3 1 27 GLU HB3 5.270 . 6.060 5.192 4.803 5.631 . 0 0 "[ . 1 . 2]" 1
565 1 26 ASN HB3 1 28 GLN H 4.310 . 4.960 3.257 2.889 3.732 . 0 0 "[ . 1 . 2]" 1
566 1 26 ASN HD21 1 27 GLU H 4.730 . 5.440 4.261 3.984 4.753 . 0 0 "[ . 1 . 2]" 1
567 1 26 ASN HD21 1 28 GLN H 4.870 . 5.600 3.490 3.027 4.817 . 0 0 "[ . 1 . 2]" 1
568 1 26 ASN HD21 1 29 VAL MG1 5.260 . 6.050 4.963 4.501 5.670 . 0 0 "[ . 1 . 2]" 1
569 1 26 ASN HD21 1 29 VAL MG2 3.930 . 4.520 2.577 2.121 3.754 . 0 0 "[ . 1 . 2]" 1
570 1 26 ASN HD22 1 27 GLU H 4.530 . 5.210 3.841 3.597 4.354 . 0 0 "[ . 1 . 2]" 1
571 1 26 ASN HD22 1 28 GLN H 4.510 . 5.190 3.560 3.163 4.564 . 0 0 "[ . 1 . 2]" 1
572 1 26 ASN HD22 1 28 GLN HG2 4.870 . 5.600 4.502 3.820 5.556 . 0 0 "[ . 1 . 2]" 1
573 1 26 ASN HD22 1 28 GLN HG3 5.500 . 6.330 5.142 4.320 6.352 0.022 18 0 "[ . 1 . 2]" 1
574 1 26 ASN HD22 1 29 VAL H 4.580 . 5.270 5.185 4.608 5.304 0.034 9 0 "[ . 1 . 2]" 1
575 1 26 ASN HD22 1 29 VAL MG2 4.120 . 4.740 3.931 3.521 4.431 . 0 0 "[ . 1 . 2]" 1
576 1 27 GLU H 1 28 GLN H 3.630 . 4.170 2.959 2.795 3.278 . 0 0 "[ . 1 . 2]" 1
577 1 27 GLU H 1 28 GLN HG2 5.500 . 6.330 4.874 4.507 5.476 . 0 0 "[ . 1 . 2]" 1
578 1 27 GLU H 1 29 VAL H 4.050 . 4.660 4.136 4.010 4.334 . 0 0 "[ . 1 . 2]" 1
579 1 27 GLU HA 1 28 GLN HE21 4.300 . 4.950 4.261 3.978 4.828 . 0 0 "[ . 1 . 2]" 1
580 1 27 GLU HB3 1 28 GLN H 3.000 . 3.450 2.692 2.236 2.954 . 0 0 "[ . 1 . 2]" 1
581 1 27 GLU HB3 1 28 GLN HE21 3.900 . 4.490 3.426 2.818 4.011 . 0 0 "[ . 1 . 2]" 1
582 1 27 GLU HB3 1 28 GLN HE22 5.110 . 5.880 5.067 4.444 5.725 . 0 0 "[ . 1 . 2]" 1
583 1 27 GLU HB3 1 29 VAL H 5.230 . 6.010 4.860 4.485 5.094 . 0 0 "[ . 1 . 2]" 1
584 1 27 GLU HG2 1 28 GLN H 4.400 . 5.060 3.775 3.247 4.198 . 0 0 "[ . 1 . 2]" 1
585 1 27 GLU HG2 1 28 GLN HE21 2.940 . 3.380 1.947 1.780 2.613 0.020 13 0 "[ . 1 . 2]" 1
586 1 27 GLU HG2 1 28 GLN HE22 3.100 . 3.570 3.199 2.675 3.593 0.023 14 0 "[ . 1 . 2]" 1
587 1 27 GLU HG3 1 28 GLN H 4.830 . 5.550 4.784 4.404 5.055 . 0 0 "[ . 1 . 2]" 1
588 1 27 GLU HG3 1 28 GLN HE21 4.280 . 4.920 3.574 3.228 4.308 . 0 0 "[ . 1 . 2]" 1
589 1 28 GLN H 1 29 VAL H 2.950 . 3.390 2.460 2.275 2.657 . 0 0 "[ . 1 . 2]" 1
590 1 28 GLN H 1 29 VAL HA 5.500 . 6.330 4.934 4.754 5.151 . 0 0 "[ . 1 . 2]" 1
591 1 28 GLN H 1 29 VAL HB 4.390 . 5.050 4.427 4.133 4.749 . 0 0 "[ . 1 . 2]" 1
592 1 28 GLN H 1 29 VAL MG2 3.590 . 4.130 3.387 3.093 3.759 . 0 0 "[ . 1 . 2]" 1
593 1 28 GLN HA 1 29 VAL MG2 4.830 . 5.550 4.484 4.347 4.787 . 0 0 "[ . 1 . 2]" 1
594 1 28 GLN HB2 1 29 VAL H 4.530 . 5.210 3.679 2.910 3.999 . 0 0 "[ . 1 . 2]" 1
595 1 28 GLN HB2 1 29 VAL MG2 3.730 . 4.290 3.112 2.758 3.456 . 0 0 "[ . 1 . 2]" 1
596 1 28 GLN HB3 1 29 VAL H 4.090 . 4.700 4.314 3.836 4.477 . 0 0 "[ . 1 . 2]" 1
597 1 28 GLN HB3 1 29 VAL MG2 4.420 . 5.080 3.972 3.628 4.265 . 0 0 "[ . 1 . 2]" 1
598 1 28 GLN HE21 1 29 VAL H 4.890 . 5.620 5.011 4.754 5.869 0.249 4 0 "[ . 1 . 2]" 1
599 1 28 GLN HG2 1 29 VAL H 4.370 . 5.030 4.750 4.427 4.950 . 0 0 "[ . 1 . 2]" 1
600 1 29 VAL H 1 30 ARG H 4.530 . 5.210 4.216 3.983 4.489 . 0 0 "[ . 1 . 2]" 1
601 1 29 VAL H 1 30 ARG HA 5.500 . 6.330 5.042 4.743 5.383 . 0 0 "[ . 1 . 2]" 1
602 1 29 VAL HA 1 30 ARG H 2.930 . 3.370 2.160 2.126 2.197 . 0 0 "[ . 1 . 2]" 1
603 1 29 VAL HB 1 30 ARG H 4.340 . 4.990 4.339 4.092 4.453 . 0 0 "[ . 1 . 2]" 1
604 1 29 VAL MG1 1 30 ARG H 3.320 . 3.820 2.995 2.426 3.283 . 0 0 "[ . 1 . 2]" 1
605 1 29 VAL MG1 1 30 ARG HA 5.310 . 6.110 3.616 3.385 3.862 . 0 0 "[ . 1 . 2]" 1
606 1 29 VAL MG1 1 30 ARG HG2 5.500 . 6.330 5.846 5.483 6.188 . 0 0 "[ . 1 . 2]" 1
607 1 29 VAL MG1 1 31 GLY H 4.540 . 5.220 4.541 4.180 4.878 . 0 0 "[ . 1 . 2]" 1
608 1 29 VAL MG1 1 56 ALA MB 5.500 . 6.330 5.032 4.404 5.862 . 0 0 "[ . 1 . 2]" 1
609 1 29 VAL MG1 1 68 PHE HZ 4.210 . 4.840 3.331 2.805 3.677 . 0 0 "[ . 1 . 2]" 1
610 1 29 VAL MG2 1 30 ARG H 4.140 . 4.760 4.131 3.856 4.260 . 0 0 "[ . 1 . 2]" 1
611 1 30 ARG H 1 31 GLY H 4.440 . 5.110 4.432 4.292 4.546 . 0 0 "[ . 1 . 2]" 1
612 1 30 ARG H 1 66 ILE MD 4.030 . 4.630 3.561 3.130 4.511 . 0 0 "[ . 1 . 2]" 1
613 1 30 ARG HA 1 31 GLY H 3.390 . 3.900 2.254 2.171 2.316 . 0 0 "[ . 1 . 2]" 1
614 1 30 ARG QB 1 31 GLY H 3.790 . 4.360 3.628 3.476 3.762 . 0 0 "[ . 1 . 2]" 1
615 1 30 ARG HB2 1 31 GLY H 4.550 . 5.230 4.078 3.860 4.311 . 0 0 "[ . 1 . 2]" 1
616 1 30 ARG HB3 1 31 GLY H 4.550 . 5.230 4.073 3.864 4.318 . 0 0 "[ . 1 . 2]" 1
617 1 30 ARG QD 1 31 GLY H 4.850 . 5.580 4.436 4.133 4.869 . 0 0 "[ . 1 . 2]" 1
618 1 30 ARG HG2 1 31 GLY H 3.850 . 4.430 2.698 2.201 3.150 . 0 0 "[ . 1 . 2]" 1
619 1 30 ARG HG3 1 31 GLY H 4.150 . 4.770 2.994 2.434 3.997 . 0 0 "[ . 1 . 2]" 1
620 1 31 GLY H 1 32 LEU H 4.500 . 5.180 4.382 4.305 4.444 . 0 0 "[ . 1 . 2]" 1
621 1 31 GLY H 1 66 ILE HB 4.730 . 5.440 4.598 4.290 4.855 . 0 0 "[ . 1 . 2]" 1
622 1 31 GLY H 1 66 ILE MD 4.910 . 5.650 4.895 4.364 5.282 . 0 0 "[ . 1 . 2]" 1
623 1 31 GLY H 1 66 ILE MG 5.500 . 6.330 5.371 4.582 6.016 . 0 0 "[ . 1 . 2]" 1
624 1 31 GLY H 1 68 PHE HE2 3.700 . 4.260 2.727 2.032 3.374 . 0 0 "[ . 1 . 2]" 1
625 1 31 GLY H 1 68 PHE HZ 5.210 . 5.990 3.689 3.039 4.461 . 0 0 "[ . 1 . 2]" 1
626 1 31 GLY QA 1 32 LEU H 3.100 . 3.570 2.271 2.237 2.289 . 0 0 "[ . 1 . 2]" 1
627 1 31 GLY QA 1 66 ILE H 4.260 . 4.900 2.505 1.798 3.452 0.002 14 0 "[ . 1 . 2]" 1
628 1 31 GLY QA 1 66 ILE HB 4.030 . 4.630 2.268 1.920 2.617 . 0 0 "[ . 1 . 2]" 1
629 1 31 GLY QA 1 66 ILE MD 4.210 . 4.840 3.576 2.889 4.099 . 0 0 "[ . 1 . 2]" 1
630 1 31 GLY QA 1 66 ILE MG 4.520 . 5.200 3.291 2.659 3.800 . 0 0 "[ . 1 . 2]" 1
631 1 31 GLY HA2 1 66 ILE HB 4.640 . 5.340 2.778 1.992 3.794 . 0 0 "[ . 1 . 2]" 1
632 1 31 GLY HA3 1 66 ILE HB 4.640 . 5.340 2.482 2.048 3.046 . 0 0 "[ . 1 . 2]" 1
633 1 32 LEU H 1 33 LEU H 4.560 . 5.240 4.284 4.207 4.376 . 0 0 "[ . 1 . 2]" 1
634 1 32 LEU H 1 66 ILE H 3.950 . 4.540 3.688 3.387 4.275 . 0 0 "[ . 1 . 2]" 1
635 1 32 LEU H 1 66 ILE HB 5.030 . 5.780 3.806 3.122 4.364 . 0 0 "[ . 1 . 2]" 1
636 1 32 LEU H 1 68 PHE H 5.240 . 6.030 3.740 3.416 4.059 . 0 0 "[ . 1 . 2]" 1
637 1 32 LEU H 1 68 PHE HD2 4.730 . 5.440 3.699 3.392 4.233 . 0 0 "[ . 1 . 2]" 1
638 1 32 LEU H 1 68 PHE HE2 4.410 . 5.070 3.912 3.524 4.710 . 0 0 "[ . 1 . 2]" 1
639 1 32 LEU QD 1 33 LEU H 3.530 . 4.060 2.377 2.141 2.645 . 0 0 "[ . 1 . 2]" 1
640 1 32 LEU HG 1 33 LEU H 3.700 . 4.260 3.196 2.972 3.414 . 0 0 "[ . 1 . 2]" 1
641 1 32 LEU HG 1 33 LEU MD1 5.220 . 6.000 5.534 5.397 5.695 . 0 0 "[ . 1 . 2]" 1
642 1 32 LEU HG 1 34 ARG H 4.800 . 5.520 4.288 3.915 4.736 . 0 0 "[ . 1 . 2]" 1
643 1 32 LEU HG 1 68 PHE H 5.500 . 6.330 4.927 4.631 5.292 . 0 0 "[ . 1 . 2]" 1
644 1 33 LEU H 1 68 PHE HD2 4.720 . 5.430 3.511 3.210 3.973 . 0 0 "[ . 1 . 2]" 1
645 1 33 LEU HB2 1 68 PHE H 4.820 . 5.540 4.616 4.277 4.945 . 0 0 "[ . 1 . 2]" 1
646 1 33 LEU HB3 1 34 ARG H 4.640 . 5.340 4.313 4.161 4.404 . 0 0 "[ . 1 . 2]" 1
647 1 33 LEU MD1 1 34 ARG H 4.170 . 4.800 2.373 2.005 2.644 . 0 0 "[ . 1 . 2]" 1
648 1 33 LEU MD1 1 37 ASP H 4.140 . 4.760 4.589 4.140 4.798 0.038 18 0 "[ . 1 . 2]" 1
649 1 33 LEU MD1 1 38 MET H 4.140 . 4.760 4.700 4.240 4.801 0.041 3 0 "[ . 1 . 2]" 1
650 1 33 LEU MD1 1 38 MET HG2 4.020 . 4.620 3.376 2.863 3.772 . 0 0 "[ . 1 . 2]" 1
651 1 33 LEU MD1 1 68 PHE H 4.170 . 4.800 3.804 3.663 4.099 . 0 0 "[ . 1 . 2]" 1
652 1 33 LEU MD1 1 69 LYS H 3.760 . 4.320 3.429 3.212 3.635 . 0 0 "[ . 1 . 2]" 1
653 1 33 LEU MD1 1 69 LYS HA 3.770 . 4.340 2.676 2.487 3.001 . 0 0 "[ . 1 . 2]" 1
654 1 33 LEU MD1 1 69 LYS QB 4.670 . 5.370 4.153 4.020 4.391 . 0 0 "[ . 1 . 2]" 1
655 1 33 LEU MD1 1 70 TYR H 3.660 . 4.210 2.925 2.442 3.208 . 0 0 "[ . 1 . 2]" 1
656 1 33 LEU MD1 1 70 TYR HB2 3.830 . 4.400 2.856 2.451 3.139 . 0 0 "[ . 1 . 2]" 1
657 1 33 LEU MD1 1 70 TYR QD 4.760 . 5.470 4.113 3.856 4.315 . 0 0 "[ . 1 . 2]" 1
658 1 33 LEU MD2 1 34 ARG H 4.890 . 5.620 4.708 4.401 4.858 . 0 0 "[ . 1 . 2]" 1
659 1 33 LEU MD2 1 38 MET HA 5.070 . 5.830 4.553 4.253 4.799 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU MD2 1 38 MET HG2 4.650 . 5.350 3.967 3.250 4.349 . 0 0 "[ . 1 . 2]" 1
661 1 33 LEU MD2 1 52 ILE MD 3.840 . 4.420 2.857 2.373 3.484 . 0 0 "[ . 1 . 2]" 1
662 1 33 LEU MD2 1 68 PHE H 5.500 . 6.330 5.869 5.612 6.155 . 0 0 "[ . 1 . 2]" 1
663 1 33 LEU MD2 1 69 LYS H 4.810 . 5.530 5.388 4.968 5.568 0.038 7 0 "[ . 1 . 2]" 1
664 1 33 LEU MD2 1 69 LYS HA 5.120 . 5.890 4.940 4.651 5.253 . 0 0 "[ . 1 . 2]" 1
665 1 33 LEU MD2 1 70 TYR H 4.430 . 5.090 4.589 4.135 4.948 . 0 0 "[ . 1 . 2]" 1
666 1 33 LEU MD2 1 70 TYR HA 4.590 . 5.280 4.312 3.803 4.974 . 0 0 "[ . 1 . 2]" 1
667 1 33 LEU MD2 1 70 TYR HB2 4.800 . 5.520 3.144 2.519 3.652 . 0 0 "[ . 1 . 2]" 1
668 1 33 LEU MD2 1 70 TYR QD 4.700 . 5.400 3.278 2.869 3.794 . 0 0 "[ . 1 . 2]" 1
669 1 33 LEU HG 1 34 ARG H 4.700 . 5.400 3.438 3.052 3.701 . 0 0 "[ . 1 . 2]" 1
670 1 34 ARG H 1 68 PHE H 5.070 . 5.830 3.899 3.300 4.441 . 0 0 "[ . 1 . 2]" 1
671 1 35 PRO HA 1 38 MET H 4.070 . 4.680 3.702 3.327 4.104 . 0 0 "[ . 1 . 2]" 1
672 1 35 PRO HA 1 38 MET ME 4.180 . 4.810 4.560 3.942 4.851 0.041 4 0 "[ . 1 . 2]" 1
673 1 35 PRO HA 1 38 MET HG3 4.170 . 4.800 2.604 2.298 3.056 . 0 0 "[ . 1 . 2]" 1
674 1 35 PRO HA 1 43 LEU MD1 4.420 . 5.080 3.769 2.968 4.200 . 0 0 "[ . 1 . 2]" 1
675 1 35 PRO HA 1 43 LEU MD2 4.760 . 5.470 3.400 2.865 3.773 . 0 0 "[ . 1 . 2]" 1
676 1 35 PRO HA 1 46 LEU QD 4.890 . 5.620 5.008 4.604 5.465 . 0 0 "[ . 1 . 2]" 1
677 1 35 PRO HB2 1 36 ARG H 3.400 . 3.910 3.149 2.408 3.579 . 0 0 "[ . 1 . 2]" 1
678 1 35 PRO HB2 1 36 ARG HA 4.610 . 5.300 4.031 3.789 4.266 . 0 0 "[ . 1 . 2]" 1
679 1 35 PRO HB3 1 36 ARG H 4.250 . 4.890 4.164 3.833 4.359 . 0 0 "[ . 1 . 2]" 1
680 1 35 PRO HB3 1 43 LEU HB2 4.610 . 5.300 4.197 3.509 5.235 . 0 0 "[ . 1 . 2]" 1
681 1 35 PRO HB3 1 43 LEU MD2 4.150 . 4.770 3.601 3.189 4.786 0.016 13 0 "[ . 1 . 2]" 1
682 1 35 PRO HD2 1 36 ARG H 4.410 . 5.070 2.962 2.519 3.448 . 0 0 "[ . 1 . 2]" 1
683 1 35 PRO HD2 1 43 LEU MD2 4.500 . 5.180 4.571 3.914 5.254 0.074 15 0 "[ . 1 . 2]" 1
684 1 35 PRO HD3 1 36 ARG H 4.670 . 5.370 4.075 3.907 4.359 . 0 0 "[ . 1 . 2]" 1
685 1 35 PRO HD3 1 43 LEU MD1 4.260 . 4.900 2.196 1.774 3.795 0.026 12 0 "[ . 1 . 2]" 1
686 1 35 PRO HG2 1 36 ARG H 4.090 . 4.700 2.945 2.312 4.272 . 0 0 "[ . 1 . 2]" 1
687 1 35 PRO HG2 1 36 ARG HG3 4.360 . 5.010 3.285 2.386 4.742 . 0 0 "[ . 1 . 2]" 1
688 1 35 PRO HG2 1 43 LEU MD1 3.960 . 4.550 3.564 2.829 3.872 . 0 0 "[ . 1 . 2]" 1
689 1 35 PRO HG2 1 43 LEU MD2 4.580 . 5.270 5.054 4.348 5.253 . 0 0 "[ . 1 . 2]" 1
690 1 35 PRO HG3 1 43 LEU H 4.840 . 5.570 5.383 4.711 5.655 0.085 17 0 "[ . 1 . 2]" 1
691 1 35 PRO HG3 1 43 LEU HB2 4.870 . 5.600 4.919 4.056 5.316 . 0 0 "[ . 1 . 2]" 1
692 1 35 PRO HG3 1 43 LEU MD1 3.590 . 4.130 2.210 1.763 2.503 0.037 15 0 "[ . 1 . 2]" 1
693 1 35 PRO HG3 1 43 LEU MD2 3.700 . 4.260 4.004 2.790 4.317 0.057 1 0 "[ . 1 . 2]" 1
694 1 36 ARG H 1 37 ASP H 3.680 . 4.230 2.561 2.436 2.741 . 0 0 "[ . 1 . 2]" 1
695 1 36 ARG H 1 38 MET H 4.240 . 4.880 4.072 3.927 4.256 . 0 0 "[ . 1 . 2]" 1
696 1 36 ARG H 1 43 LEU MD1 5.200 . 5.980 5.288 5.013 5.775 . 0 0 "[ . 1 . 2]" 1
697 1 36 ARG HA 1 38 MET H 4.270 . 4.910 3.627 3.397 3.988 . 0 0 "[ . 1 . 2]" 1
698 1 36 ARG HB2 1 37 ASP H 4.110 . 4.730 3.114 2.861 3.380 . 0 0 "[ . 1 . 2]" 1
699 1 36 ARG HB3 1 37 ASP H 4.110 . 4.730 4.000 3.797 4.223 . 0 0 "[ . 1 . 2]" 1
700 1 36 ARG HG3 1 37 ASP H 4.470 . 5.140 4.498 4.201 4.759 . 0 0 "[ . 1 . 2]" 1
701 1 37 ASP H 1 38 MET H 3.190 . 3.670 2.463 2.315 2.664 . 0 0 "[ . 1 . 2]" 1
702 1 37 ASP H 1 38 MET HB2 5.020 . 5.770 4.513 4.128 4.764 . 0 0 "[ . 1 . 2]" 1
703 1 37 ASP QB 1 38 MET H 3.900 . 4.490 3.522 3.293 3.627 . 0 0 "[ . 1 . 2]" 1
704 1 37 ASP HB2 1 38 MET H 4.730 . 5.440 3.712 3.418 3.850 . 0 0 "[ . 1 . 2]" 1
705 1 37 ASP HB3 1 38 MET H 4.730 . 5.440 4.382 4.303 4.430 . 0 0 "[ . 1 . 2]" 1
706 1 38 MET H 1 39 ILE H 4.780 . 5.500 4.486 4.296 4.615 . 0 0 "[ . 1 . 2]" 1
707 1 38 MET HA 1 39 ILE MD 4.390 . 5.050 4.274 4.015 4.545 . 0 0 "[ . 1 . 2]" 1
708 1 38 MET HB3 1 39 ILE H 3.730 . 4.290 3.202 2.454 3.822 . 0 0 "[ . 1 . 2]" 1
709 1 38 MET ME 1 39 ILE H 4.740 . 5.450 3.787 3.038 5.293 . 0 0 "[ . 1 . 2]" 1
710 1 38 MET ME 1 40 SER H 4.940 . 5.680 4.440 3.665 5.643 . 0 0 "[ . 1 . 2]" 1
711 1 38 MET ME 1 41 LEU H 3.720 . 4.280 3.206 2.850 4.276 . 0 0 "[ . 1 . 2]" 1
712 1 38 MET ME 1 41 LEU HA 4.090 . 4.700 4.138 4.016 4.648 . 0 0 "[ . 1 . 2]" 1
713 1 38 MET ME 1 41 LEU HB2 3.590 . 4.130 2.078 1.773 2.520 0.027 17 0 "[ . 1 . 2]" 1
714 1 38 MET ME 1 41 LEU MD2 3.680 . 4.230 4.208 4.049 4.322 0.092 8 0 "[ . 1 . 2]" 1
715 1 38 MET ME 1 42 ARG H 4.290 . 4.930 4.430 3.981 4.762 . 0 0 "[ . 1 . 2]" 1
716 1 38 MET ME 1 42 ARG HA 3.780 . 4.350 3.884 3.065 4.375 0.025 17 0 "[ . 1 . 2]" 1
717 1 38 MET ME 1 43 LEU H 4.840 . 5.570 4.631 4.000 5.276 . 0 0 "[ . 1 . 2]" 1
718 1 38 MET ME 1 43 LEU MD2 3.610 . 4.150 3.584 3.040 4.068 . 0 0 "[ . 1 . 2]" 1
719 1 38 MET ME 1 46 LEU QD . . 3.120 2.080 1.722 2.500 0.078 2 0 "[ . 1 . 2]" 1
720 1 38 MET ME 1 52 ILE MD 4.160 . 4.780 2.846 1.999 3.359 . 0 0 "[ . 1 . 2]" 1
721 1 38 MET ME 1 70 TYR QD 3.730 . 4.290 2.406 2.003 2.779 . 0 0 "[ . 1 . 2]" 1
722 1 38 MET ME 1 70 TYR QE 4.720 . 5.430 3.607 3.417 3.782 . 0 0 "[ . 1 . 2]" 1
723 1 38 MET HG3 1 42 ARG HA 4.260 . 4.900 3.690 2.896 4.738 . 0 0 "[ . 1 . 2]" 1
724 1 38 MET HG3 1 43 LEU MD2 4.090 . 4.700 3.400 2.727 4.288 . 0 0 "[ . 1 . 2]" 1
725 1 38 MET HG3 1 70 TYR QD 5.240 . 6.030 5.596 5.178 5.846 . 0 0 "[ . 1 . 2]" 1
726 1 39 ILE H 1 40 SER H 3.940 . 4.530 2.771 2.326 3.086 . 0 0 "[ . 1 . 2]" 1
727 1 39 ILE H 1 41 LEU H 4.390 . 5.050 3.849 3.157 4.491 . 0 0 "[ . 1 . 2]" 1
728 1 39 ILE H 1 70 TYR H 5.300 . 6.100 4.263 3.798 4.963 . 0 0 "[ . 1 . 2]" 1
729 1 39 ILE H 1 70 TYR QD 4.260 . 4.900 2.427 1.950 3.141 . 0 0 "[ . 1 . 2]" 1
730 1 39 ILE HA 1 40 SER HA 4.660 . 5.360 4.601 4.568 4.635 . 0 0 "[ . 1 . 2]" 1
731 1 39 ILE HB 1 40 SER H 4.310 . 4.960 2.101 1.846 2.645 . 0 0 "[ . 1 . 2]" 1
732 1 39 ILE HB 1 70 TYR QD 4.240 . 4.880 2.053 1.798 2.641 0.002 11 0 "[ . 1 . 2]" 1
733 1 39 ILE MD 1 70 TYR H 4.370 . 5.030 4.866 4.615 5.043 0.013 18 0 "[ . 1 . 2]" 1
734 1 39 ILE MD 1 70 TYR HB3 3.690 . 4.240 4.191 3.820 4.341 0.101 3 0 "[ . 1 . 2]" 1
735 1 39 ILE MD 1 70 TYR QD 4.690 . 5.390 3.979 3.631 4.313 . 0 0 "[ . 1 . 2]" 1
736 1 39 ILE MD 1 71 ILE HA 3.840 . 4.420 4.261 3.712 4.474 0.054 13 0 "[ . 1 . 2]" 1
737 1 39 ILE MD 1 72 PRO HG3 5.040 . 5.800 4.350 3.394 5.510 . 0 0 "[ . 1 . 2]" 1
738 1 39 ILE QG 1 40 SER H 3.860 . 4.440 3.803 3.661 4.037 . 0 0 "[ . 1 . 2]" 1
739 1 39 ILE QG 1 70 TYR H 5.080 . 5.840 4.119 3.829 4.527 . 0 0 "[ . 1 . 2]" 1
740 1 39 ILE QG 1 70 TYR HB3 3.370 . 3.880 2.839 2.353 3.117 . 0 0 "[ . 1 . 2]" 1
741 1 39 ILE HG12 1 40 SER H 4.420 . 5.080 4.084 3.938 4.261 . 0 0 "[ . 1 . 2]" 1
742 1 39 ILE HG13 1 40 SER H 4.420 . 5.080 4.544 4.325 5.001 . 0 0 "[ . 1 . 2]" 1
743 1 39 ILE MG 1 40 SER H 3.300 . 3.800 2.942 2.599 3.464 . 0 0 "[ . 1 . 2]" 1
744 1 39 ILE MG 1 40 SER HA 3.970 . 4.570 3.422 3.177 3.798 . 0 0 "[ . 1 . 2]" 1
745 1 39 ILE MG 1 40 SER HB2 4.310 . 4.960 3.852 2.739 4.711 . 0 0 "[ . 1 . 2]" 1
746 1 39 ILE MG 1 40 SER QB 3.540 . 4.070 3.434 2.675 3.983 . 0 0 "[ . 1 . 2]" 1
747 1 39 ILE MG 1 40 SER HB3 4.310 . 4.960 4.139 3.224 4.589 . 0 0 "[ . 1 . 2]" 1
748 1 39 ILE MG 1 41 LEU H 4.560 . 5.240 4.891 4.582 5.204 . 0 0 "[ . 1 . 2]" 1
749 1 39 ILE MG 1 70 TYR QD 3.870 . 4.450 3.675 3.513 4.038 . 0 0 "[ . 1 . 2]" 1
750 1 39 ILE MG 1 70 TYR QE 4.100 . 4.720 3.799 3.556 4.342 . 0 0 "[ . 1 . 2]" 1
751 1 40 SER H 1 41 LEU H 3.380 . 3.890 2.377 2.009 2.674 . 0 0 "[ . 1 . 2]" 1
752 1 40 SER H 1 70 TYR QD 5.030 . 5.780 2.963 2.401 4.030 . 0 0 "[ . 1 . 2]" 1
753 1 40 SER H 1 70 TYR QE 4.720 . 5.430 2.913 2.045 4.431 . 0 0 "[ . 1 . 2]" 1
754 1 40 SER HA 1 41 LEU H 3.440 . 3.960 3.517 3.223 3.585 . 0 0 "[ . 1 . 2]" 1
755 1 40 SER QB 1 41 LEU H 3.710 . 4.270 2.770 2.126 3.604 . 0 0 "[ . 1 . 2]" 1
756 1 40 SER HB2 1 41 LEU H 4.290 . 4.930 3.286 2.151 4.510 . 0 0 "[ . 1 . 2]" 1
757 1 40 SER HB3 1 41 LEU H 4.290 . 4.930 3.439 2.533 4.340 . 0 0 "[ . 1 . 2]" 1
758 1 41 LEU H 1 42 ARG H 4.670 . 5.370 4.502 4.200 4.625 . 0 0 "[ . 1 . 2]" 1
759 1 41 LEU H 1 42 ARG HG2 5.020 . 5.770 5.358 4.931 5.651 . 0 0 "[ . 1 . 2]" 1
760 1 41 LEU H 1 70 TYR QD 4.870 . 5.600 4.084 3.669 4.686 . 0 0 "[ . 1 . 2]" 1
761 1 41 LEU H 1 70 TYR QE 4.750 . 5.460 3.835 2.929 4.927 . 0 0 "[ . 1 . 2]" 1
762 1 41 LEU HA 1 42 ARG H 3.060 . 3.520 2.172 2.103 2.260 . 0 0 "[ . 1 . 2]" 1
763 1 41 LEU HA 1 46 LEU QD 3.900 . 4.490 3.873 3.508 4.163 . 0 0 "[ . 1 . 2]" 1
764 1 41 LEU HB2 1 42 ARG H 4.390 . 5.050 4.223 3.930 4.404 . 0 0 "[ . 1 . 2]" 1
765 1 41 LEU HB3 1 42 ARG H 3.440 . 3.960 3.227 2.722 3.578 . 0 0 "[ . 1 . 2]" 1
766 1 41 LEU HB3 1 46 LEU H 4.970 . 5.720 5.430 5.000 5.710 . 0 0 "[ . 1 . 2]" 1
767 1 41 LEU HB3 1 46 LEU QD 2.910 . 3.350 1.889 1.752 2.112 0.048 11 0 "[ . 1 . 2]" 1
768 1 41 LEU HB3 1 70 TYR QD 4.500 . 5.180 5.074 4.902 5.124 . 0 0 "[ . 1 . 2]" 1
769 1 41 LEU MD2 1 42 ARG H 4.040 . 4.650 3.380 3.148 3.660 . 0 0 "[ . 1 . 2]" 1
770 1 41 LEU MD2 1 45 ASN HB2 4.680 . 5.380 3.180 2.503 3.569 . 0 0 "[ . 1 . 2]" 1
771 1 41 LEU MD2 1 46 LEU H 4.730 . 5.440 5.368 4.916 5.485 0.045 2 0 "[ . 1 . 2]" 1
772 1 41 LEU MD2 1 46 LEU QD 2.770 . 3.190 2.771 2.470 3.012 . 0 0 "[ . 1 . 2]" 1
773 1 41 LEU MD2 1 52 ILE MD 3.670 . 4.220 4.222 4.052 4.301 0.081 13 0 "[ . 1 . 2]" 1
774 1 41 LEU MD2 1 70 TYR QE 4.600 . 5.290 4.379 4.101 4.664 . 0 0 "[ . 1 . 2]" 1
775 1 41 LEU HG 1 42 ARG H 4.850 . 5.580 5.033 4.823 5.187 . 0 0 "[ . 1 . 2]" 1
776 1 41 LEU HG 1 70 TYR QE 3.920 . 4.510 3.361 2.971 3.845 . 0 0 "[ . 1 . 2]" 1
777 1 42 ARG H 1 43 LEU H 4.530 . 5.210 4.577 4.525 4.629 . 0 0 "[ . 1 . 2]" 1
778 1 42 ARG H 1 44 GLU H 4.800 . 5.520 4.903 4.496 5.170 . 0 0 "[ . 1 . 2]" 1
779 1 42 ARG H 1 45 ASN H 4.140 . 4.760 3.898 3.507 4.191 . 0 0 "[ . 1 . 2]" 1
780 1 42 ARG H 1 45 ASN HB2 4.070 . 4.680 3.074 2.664 3.474 . 0 0 "[ . 1 . 2]" 1
781 1 42 ARG H 1 45 ASN HB3 4.850 . 5.580 4.618 4.068 5.086 . 0 0 "[ . 1 . 2]" 1
782 1 42 ARG H 1 45 ASN HD21 4.550 . 5.230 2.476 1.791 3.047 0.009 18 0 "[ . 1 . 2]" 1
783 1 42 ARG H 1 46 LEU QD 3.590 . 4.130 3.800 3.546 4.039 . 0 0 "[ . 1 . 2]" 1
784 1 42 ARG HA 1 43 LEU H 3.390 . 3.900 2.353 2.281 2.432 . 0 0 "[ . 1 . 2]" 1
785 1 42 ARG HA 1 44 GLU H 4.110 . 4.730 4.103 3.830 4.261 . 0 0 "[ . 1 . 2]" 1
786 1 42 ARG HA 1 46 LEU QD 5.050 . 5.810 4.107 3.790 4.372 . 0 0 "[ . 1 . 2]" 1
787 1 42 ARG HB2 1 44 GLU H 3.450 . 3.970 3.275 3.017 3.543 . 0 0 "[ . 1 . 2]" 1
788 1 42 ARG HB2 1 44 GLU HG3 3.510 . 4.040 3.862 3.107 4.109 0.069 4 0 "[ . 1 . 2]" 1
789 1 42 ARG HB2 1 45 ASN HD21 4.650 . 5.350 3.219 2.726 4.167 . 0 0 "[ . 1 . 2]" 1
790 1 42 ARG HB2 1 45 ASN HD22 4.420 . 5.080 3.114 2.528 4.139 . 0 0 "[ . 1 . 2]" 1
791 1 42 ARG HB3 1 43 LEU H 3.740 . 4.300 2.750 2.505 3.003 . 0 0 "[ . 1 . 2]" 1
792 1 42 ARG HB3 1 43 LEU HB2 4.590 . 5.280 4.391 4.175 4.555 . 0 0 "[ . 1 . 2]" 1
793 1 42 ARG HD2 1 43 LEU H 4.500 . 5.180 3.849 3.468 4.125 . 0 0 "[ . 1 . 2]" 1
794 1 42 ARG HD2 1 44 GLU H 4.550 . 5.230 5.024 4.198 5.280 0.050 1 0 "[ . 1 . 2]" 1
795 1 42 ARG HD2 1 44 GLU HG3 4.750 . 5.460 5.039 3.659 5.546 0.086 1 0 "[ . 1 . 2]" 1
796 1 42 ARG HD3 1 43 LEU H 4.810 . 5.530 4.388 3.674 5.487 . 0 0 "[ . 1 . 2]" 1
797 1 42 ARG HG2 1 45 ASN HD21 4.510 . 5.190 4.050 3.404 4.987 . 0 0 "[ . 1 . 2]" 1
798 1 42 ARG HG2 1 45 ASN HD22 4.510 . 5.190 4.087 3.144 5.202 0.012 12 0 "[ . 1 . 2]" 1
799 1 43 LEU H 1 44 GLU H 3.650 . 4.200 2.747 2.674 2.817 . 0 0 "[ . 1 . 2]" 1
800 1 43 LEU H 1 44 GLU HA 5.430 . 6.240 5.344 5.290 5.388 . 0 0 "[ . 1 . 2]" 1
801 1 43 LEU H 1 45 ASN H 4.460 . 5.130 4.313 4.192 4.568 . 0 0 "[ . 1 . 2]" 1
802 1 43 LEU H 1 46 LEU H 5.060 . 5.820 5.196 4.968 5.570 . 0 0 "[ . 1 . 2]" 1
803 1 43 LEU H 1 46 LEU QD 4.310 . 4.960 3.897 3.746 4.026 . 0 0 "[ . 1 . 2]" 1
804 1 43 LEU HA 1 45 ASN H 4.460 . 5.130 3.805 3.590 4.102 . 0 0 "[ . 1 . 2]" 1
805 1 43 LEU HA 1 46 LEU H 4.220 . 4.850 3.342 3.139 3.631 . 0 0 "[ . 1 . 2]" 1
806 1 43 LEU HA 1 46 LEU QD 3.780 . 4.350 2.293 2.205 2.470 . 0 0 "[ . 1 . 2]" 1
807 1 43 LEU HA 1 46 LEU HG 3.540 . 4.070 2.242 2.028 2.584 . 0 0 "[ . 1 . 2]" 1
808 1 43 LEU HB2 1 44 GLU H 3.660 . 4.210 2.771 2.571 2.909 . 0 0 "[ . 1 . 2]" 1
809 1 43 LEU HB2 1 44 GLU HA 4.170 . 4.800 4.223 4.015 4.330 . 0 0 "[ . 1 . 2]" 1
810 1 43 LEU MD2 1 44 GLU H 4.470 . 5.140 4.620 4.546 4.669 . 0 0 "[ . 1 . 2]" 1
811 1 43 LEU MD2 1 45 ASN H 5.500 . 6.330 5.305 5.157 5.540 . 0 0 "[ . 1 . 2]" 1
812 1 43 LEU MD2 1 46 LEU H 5.330 . 6.130 4.845 4.637 5.168 . 0 0 "[ . 1 . 2]" 1
813 1 43 LEU MD2 1 46 LEU QB 4.960 . 5.700 3.582 3.374 4.119 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLU H 1 45 ASN H 3.590 . 4.130 2.740 2.659 2.837 . 0 0 "[ . 1 . 2]" 1
815 1 44 GLU H 1 46 LEU H 4.360 . 5.010 4.170 3.975 4.353 . 0 0 "[ . 1 . 2]" 1
816 1 44 GLU H 1 46 LEU QD 5.500 . 6.330 4.764 4.550 4.917 . 0 0 "[ . 1 . 2]" 1
817 1 44 GLU HA 1 46 LEU H 4.950 . 5.690 4.181 4.030 4.475 . 0 0 "[ . 1 . 2]" 1
818 1 44 GLU HB2 1 45 ASN H 3.770 . 4.340 3.010 2.707 3.293 . 0 0 "[ . 1 . 2]" 1
819 1 44 GLU HB2 1 45 ASN HA 5.460 . 6.280 4.388 4.214 4.537 . 0 0 "[ . 1 . 2]" 1
820 1 44 GLU HB2 1 45 ASN HD21 4.540 . 5.220 4.802 4.347 5.155 . 0 0 "[ . 1 . 2]" 1
821 1 44 GLU HG3 1 45 ASN H 4.300 . 4.950 4.215 4.082 4.375 . 0 0 "[ . 1 . 2]" 1
822 1 44 GLU HG3 1 45 ASN HD22 5.310 . 6.110 6.064 5.699 6.165 0.055 18 0 "[ . 1 . 2]" 1
823 1 45 ASN H 1 46 LEU H 3.100 . 3.570 2.257 2.018 2.426 . 0 0 "[ . 1 . 2]" 1
824 1 45 ASN H 1 46 LEU HA 4.910 . 5.650 4.746 4.639 4.946 . 0 0 "[ . 1 . 2]" 1
825 1 45 ASN H 1 46 LEU QD 4.000 . 4.600 3.762 3.511 4.019 . 0 0 "[ . 1 . 2]" 1
826 1 45 ASN H 1 46 LEU HG 3.520 . 4.050 3.363 3.170 3.605 . 0 0 "[ . 1 . 2]" 1
827 1 45 ASN HA 1 46 LEU QD 5.500 . 6.330 4.631 4.434 4.814 . 0 0 "[ . 1 . 2]" 1
828 1 45 ASN HB2 1 46 LEU H 4.030 . 4.630 3.494 3.034 3.831 . 0 0 "[ . 1 . 2]" 1
829 1 45 ASN HB2 1 46 LEU QD 3.510 . 4.040 3.138 2.985 3.212 . 0 0 "[ . 1 . 2]" 1
830 1 45 ASN HB3 1 46 LEU H 3.940 . 4.530 4.320 4.094 4.465 . 0 0 "[ . 1 . 2]" 1
831 1 45 ASN HB3 1 46 LEU QD 4.250 . 4.890 4.047 3.750 4.215 . 0 0 "[ . 1 . 2]" 1
832 1 45 ASN HD21 1 46 LEU QD 4.050 . 4.660 4.589 4.323 4.669 0.009 9 0 "[ . 1 . 2]" 1
833 1 45 ASN HD22 1 46 LEU QD 5.500 . 6.330 5.767 5.522 5.888 . 0 0 "[ . 1 . 2]" 1
834 1 46 LEU H 1 47 ASN H 4.490 . 5.160 4.570 4.455 4.626 . 0 0 "[ . 1 . 2]" 1
835 1 46 LEU HA 1 47 ASN H 3.380 . 3.890 2.205 2.152 2.256 . 0 0 "[ . 1 . 2]" 1
836 1 46 LEU QD 1 47 ASN H . . 4.270 3.594 3.455 3.772 . 0 0 "[ . 1 . 2]" 1
837 1 46 LEU QD 1 50 ASP HB2 4.610 . 5.300 3.944 3.622 4.287 . 0 0 "[ . 1 . 2]" 1
838 1 46 LEU QD 1 70 TYR QD 4.700 . 5.400 4.464 3.975 4.720 . 0 0 "[ . 1 . 2]" 1
839 1 46 LEU QD 1 70 TYR QE 4.640 . 5.340 4.599 4.001 5.029 . 0 0 "[ . 1 . 2]" 1
840 1 47 ASN H 1 48 VAL H 4.610 . 5.300 4.491 4.461 4.551 . 0 0 "[ . 1 . 2]" 1
841 1 47 ASN H 1 50 ASP H 4.640 . 5.340 4.113 3.885 4.334 . 0 0 "[ . 1 . 2]" 1
842 1 47 ASN HA 1 48 VAL H 3.130 . 3.600 2.352 2.219 2.543 . 0 0 "[ . 1 . 2]" 1
843 1 47 ASN QB 1 48 VAL H 3.200 . 3.680 2.574 2.204 2.954 . 0 0 "[ . 1 . 2]" 1
844 1 47 ASN QB 1 48 VAL MG2 4.490 . 5.160 4.175 3.748 4.499 . 0 0 "[ . 1 . 2]" 1
845 1 47 ASN HB2 1 48 VAL H 3.700 . 4.260 3.672 3.269 3.972 . 0 0 "[ . 1 . 2]" 1
846 1 47 ASN HB3 1 48 VAL H 3.700 . 4.260 2.631 2.233 3.047 . 0 0 "[ . 1 . 2]" 1
847 1 48 VAL H 1 49 GLY H 4.590 . 5.280 4.475 4.429 4.590 . 0 0 "[ . 1 . 2]" 1
848 1 48 VAL H 1 49 GLY HA3 5.500 . 6.330 5.490 5.394 5.612 . 0 0 "[ . 1 . 2]" 1
849 1 48 VAL H 1 50 ASP H 4.960 . 5.700 4.793 4.719 4.935 . 0 0 "[ . 1 . 2]" 1
850 1 48 VAL HA 1 49 GLY H 3.410 . 3.920 2.171 2.161 2.193 . 0 0 "[ . 1 . 2]" 1
851 1 48 VAL HA 1 50 ASP H 3.690 . 4.240 3.634 3.534 3.727 . 0 0 "[ . 1 . 2]" 1
852 1 48 VAL HB 1 49 GLY H 4.480 . 5.150 4.328 4.173 4.398 . 0 0 "[ . 1 . 2]" 1
853 1 48 VAL HB 1 50 ASP H 5.500 . 6.330 5.557 5.364 5.693 . 0 0 "[ . 1 . 2]" 1
854 1 48 VAL MG1 1 49 GLY H 3.170 . 3.650 2.957 2.653 3.037 . 0 0 "[ . 1 . 2]" 1
855 1 48 VAL MG1 1 49 GLY HA3 4.130 . 4.750 3.640 3.411 3.782 . 0 0 "[ . 1 . 2]" 1
856 1 49 GLY H 1 50 ASP H 3.440 . 3.960 2.399 2.256 2.613 . 0 0 "[ . 1 . 2]" 1
857 1 50 ASP H 1 51 GLU H 4.340 . 4.990 4.518 4.349 4.594 . 0 0 "[ . 1 . 2]" 1
858 1 50 ASP HA 1 51 GLU H 3.120 . 3.590 2.158 2.126 2.189 . 0 0 "[ . 1 . 2]" 1
859 1 50 ASP HA 1 51 GLU HG3 4.400 . 5.060 3.954 3.569 4.287 . 0 0 "[ . 1 . 2]" 1
860 1 50 ASP HB2 1 51 GLU H 4.650 . 5.350 4.351 4.105 4.556 . 0 0 "[ . 1 . 2]" 1
861 1 50 ASP HB3 1 51 GLU H 4.160 . 4.780 3.402 3.029 3.789 . 0 0 "[ . 1 . 2]" 1
862 1 50 ASP HB3 1 52 ILE MD 4.780 . 5.500 3.267 2.520 3.969 . 0 0 "[ . 1 . 2]" 1
863 1 51 GLU H 1 52 ILE H 4.640 . 5.340 4.337 4.193 4.580 . 0 0 "[ . 1 . 2]" 1
864 1 51 GLU HA 1 52 ILE H 3.180 . 3.660 2.168 2.123 2.206 . 0 0 "[ . 1 . 2]" 1
865 1 51 GLU HA 1 52 ILE MG 5.500 . 6.330 5.519 5.478 5.560 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLU QB 1 52 ILE H 3.590 . 4.130 3.473 2.980 3.635 . 0 0 "[ . 1 . 2]" 1
867 1 51 GLU HG2 1 52 ILE H 4.380 . 5.040 4.585 4.245 4.773 . 0 0 "[ . 1 . 2]" 1
868 1 51 GLU HG3 1 52 ILE H 4.990 . 5.740 5.136 5.021 5.334 . 0 0 "[ . 1 . 2]" 1
869 1 52 ILE H 1 53 ILE H 4.540 . 5.220 4.484 4.308 4.539 . 0 0 "[ . 1 . 2]" 1
870 1 52 ILE H 1 54 VAL QG 5.090 . 5.850 4.318 4.053 4.640 . 0 0 "[ . 1 . 2]" 1
871 1 52 ILE HB 1 53 ILE H 4.220 . 4.850 4.028 3.835 4.168 . 0 0 "[ . 1 . 2]" 1
872 1 52 ILE MD 1 53 ILE H 4.920 . 5.660 4.928 4.790 5.057 . 0 0 "[ . 1 . 2]" 1
873 1 52 ILE MD 1 54 VAL QG 4.860 . 5.590 3.697 3.532 3.838 . 0 0 "[ . 1 . 2]" 1
874 1 52 ILE MD 1 70 TYR QD 3.780 . 4.350 3.530 3.117 4.037 . 0 0 "[ . 1 . 2]" 1
875 1 52 ILE MD 1 70 TYR QE 4.330 . 4.980 3.535 2.410 4.563 . 0 0 "[ . 1 . 2]" 1
876 1 52 ILE MG 1 53 ILE H 4.350 . 5.000 2.409 2.139 2.607 . 0 0 "[ . 1 . 2]" 1
877 1 52 ILE MG 1 53 ILE HB 4.670 . 5.370 3.928 3.620 4.164 . 0 0 "[ . 1 . 2]" 1
878 1 52 ILE MG 1 54 VAL H 5.440 . 6.260 4.122 3.929 4.347 . 0 0 "[ . 1 . 2]" 1
879 1 52 ILE MG 1 54 VAL QG 4.560 . 5.240 2.105 1.856 2.515 . 0 0 "[ . 1 . 2]" 1
880 1 52 ILE MG 1 70 TYR QD 3.600 . 4.140 2.323 2.030 2.664 . 0 0 "[ . 1 . 2]" 1
881 1 53 ILE H 1 54 VAL H 5.500 . 6.330 4.425 4.376 4.512 . 0 0 "[ . 1 . 2]" 1
882 1 53 ILE H 1 54 VAL QG 4.330 . 4.980 3.894 3.804 3.960 . 0 0 "[ . 1 . 2]" 1
883 1 53 ILE H 1 70 TYR QE 5.500 . 6.330 4.408 3.641 5.395 . 0 0 "[ . 1 . 2]" 1
884 1 53 ILE HB 1 54 VAL H 4.530 . 5.210 4.316 4.210 4.376 . 0 0 "[ . 1 . 2]" 1
885 1 53 ILE MG 1 54 VAL H 3.660 . 4.210 2.956 2.717 3.081 . 0 0 "[ . 1 . 2]" 1
886 1 54 VAL HA 1 55 GLN H 3.490 . 4.010 2.297 2.194 2.445 . 0 0 "[ . 1 . 2]" 1
887 1 54 VAL HA 1 71 ILE MD 4.560 . 5.240 3.889 3.242 5.226 . 0 0 "[ . 1 . 2]" 1
888 1 54 VAL QG 1 55 GLN H 4.120 . 4.490 3.271 3.063 3.392 . 0 0 "[ . 1 . 2]" 1
889 1 54 VAL QG 1 68 PHE QB 4.090 . 4.700 2.340 2.009 2.639 . 0 0 "[ . 1 . 2]" 1
890 1 54 VAL QG 1 69 LYS H . . 4.400 3.546 3.144 3.825 . 0 0 "[ . 1 . 2]" 1
891 1 54 VAL QG 1 70 TYR HB2 4.640 . 5.340 3.491 2.892 3.799 . 0 0 "[ . 1 . 2]" 1
892 1 54 VAL QG 1 70 TYR QD 3.920 . 4.510 3.154 2.740 3.420 . 0 0 "[ . 1 . 2]" 1
893 1 55 GLN H 1 56 ALA H 4.810 . 5.530 4.458 4.369 4.519 . 0 0 "[ . 1 . 2]" 1
894 1 55 GLN H 1 69 LYS H 4.040 . 4.650 2.818 2.641 3.052 . 0 0 "[ . 1 . 2]" 1
895 1 55 GLN H 1 69 LYS QB 4.240 . 4.880 3.371 3.188 3.795 . 0 0 "[ . 1 . 2]" 1
896 1 55 GLN H 1 70 TYR H 5.480 . 6.300 4.999 4.895 5.100 . 0 0 "[ . 1 . 2]" 1
897 1 55 GLN H 1 71 ILE MD 4.970 . 5.720 3.617 3.134 4.622 . 0 0 "[ . 1 . 2]" 1
898 1 55 GLN HA 1 56 ALA H 3.560 . 4.090 2.182 2.153 2.241 . 0 0 "[ . 1 . 2]" 1
899 1 55 GLN HA 1 69 LYS H 5.160 . 5.930 4.631 4.512 4.777 . 0 0 "[ . 1 . 2]" 1
900 1 55 GLN HA 1 71 ILE MD 4.490 . 5.160 3.755 3.065 4.909 . 0 0 "[ . 1 . 2]" 1
901 1 55 GLN QB 1 56 ALA H 4.210 . 4.840 3.752 3.633 3.858 . 0 0 "[ . 1 . 2]" 1
902 1 55 GLN QE 1 56 ALA H 5.340 . 6.140 4.917 4.629 5.175 . 0 0 "[ . 1 . 2]" 1
903 1 55 GLN QE 1 71 ILE MD 4.660 . 5.360 4.347 2.895 5.022 . 0 0 "[ . 1 . 2]" 1
904 1 55 GLN QE 1 71 ILE MG 5.210 . 5.990 4.210 3.215 4.830 . 0 0 "[ . 1 . 2]" 1
905 1 55 GLN HE21 1 71 ILE MD 5.500 . 6.330 4.859 3.286 5.650 . 0 0 "[ . 1 . 2]" 1
906 1 55 GLN HE22 1 71 ILE MD 5.500 . 6.330 4.909 3.216 5.630 . 0 0 "[ . 1 . 2]" 1
907 1 55 GLN HG2 1 56 ALA H 4.100 . 4.720 3.056 2.711 3.392 . 0 0 "[ . 1 . 2]" 1
908 1 55 GLN HG3 1 56 ALA H 4.100 . 4.720 3.160 2.875 3.393 . 0 0 "[ . 1 . 2]" 1
909 1 56 ALA H 1 57 ILE H 4.710 . 5.420 4.395 4.210 4.634 . 0 0 "[ . 1 . 2]" 1
910 1 56 ALA H 1 57 ILE HG13 5.500 . 6.330 5.619 5.472 5.805 . 0 0 "[ . 1 . 2]" 1
911 1 56 ALA HA 1 57 ILE MD 5.320 . 6.120 5.140 5.020 5.286 . 0 0 "[ . 1 . 2]" 1
912 1 56 ALA HA 1 66 ILE MG 4.050 . 4.660 3.380 2.931 4.059 . 0 0 "[ . 1 . 2]" 1
913 1 56 ALA HA 1 67 ASP H 4.880 . 5.610 5.132 4.744 5.539 . 0 0 "[ . 1 . 2]" 1
914 1 56 ALA HA 1 68 PHE H 5.500 . 6.330 5.015 4.779 5.427 . 0 0 "[ . 1 . 2]" 1
915 1 56 ALA HA 1 68 PHE HA 4.480 . 5.150 2.559 2.217 2.923 . 0 0 "[ . 1 . 2]" 1
916 1 56 ALA HA 1 69 LYS H 5.500 . 6.330 3.917 3.484 4.161 . 0 0 "[ . 1 . 2]" 1
917 1 56 ALA MB 1 57 ILE H 3.680 . 4.230 3.346 2.947 3.552 . 0 0 "[ . 1 . 2]" 1
918 1 56 ALA MB 1 57 ILE HB 5.210 . 5.990 5.165 4.989 5.289 . 0 0 "[ . 1 . 2]" 1
919 1 56 ALA MB 1 57 ILE HG13 5.500 . 6.330 4.982 4.724 5.131 . 0 0 "[ . 1 . 2]" 1
920 1 56 ALA MB 1 58 ASP H 4.000 . 4.600 4.276 3.996 4.488 . 0 0 "[ . 1 . 2]" 1
921 1 56 ALA MB 1 59 VAL MG1 5.500 . 6.330 4.716 4.363 5.047 . 0 0 "[ . 1 . 2]" 1
922 1 56 ALA MB 1 59 VAL MG2 3.460 . 3.980 2.733 2.346 3.084 . 0 0 "[ . 1 . 2]" 1
923 1 56 ALA MB 1 66 ILE MG 3.620 . 4.160 2.495 2.050 3.080 . 0 0 "[ . 1 . 2]" 1
924 1 56 ALA MB 1 67 ASP H 4.770 . 5.490 4.699 4.217 5.073 . 0 0 "[ . 1 . 2]" 1
925 1 57 ILE H 1 58 ASP H 3.480 . 4.000 2.923 2.659 3.124 . 0 0 "[ . 1 . 2]" 1
926 1 57 ILE H 1 58 ASP HB2 5.340 . 6.140 5.567 5.342 5.774 . 0 0 "[ . 1 . 2]" 1
927 1 57 ILE H 1 66 ILE MG 4.400 . 5.060 4.063 3.172 4.441 . 0 0 "[ . 1 . 2]" 1
928 1 57 ILE H 1 67 ASP H 4.730 . 5.440 4.447 4.021 4.801 . 0 0 "[ . 1 . 2]" 1
929 1 57 ILE H 1 67 ASP QB 4.840 . 5.570 3.461 2.860 3.891 . 0 0 "[ . 1 . 2]" 1
930 1 57 ILE H 1 68 PHE H 5.120 . 5.890 4.555 4.396 4.800 . 0 0 "[ . 1 . 2]" 1
931 1 57 ILE H 1 68 PHE HA 4.360 . 5.010 2.756 2.438 3.135 . 0 0 "[ . 1 . 2]" 1
932 1 57 ILE HB 1 58 ASP H 3.650 . 4.200 2.014 1.889 2.184 . 0 0 "[ . 1 . 2]" 1
933 1 57 ILE HB 1 67 ASP H 4.940 . 5.680 4.175 3.847 5.073 . 0 0 "[ . 1 . 2]" 1
934 1 57 ILE HB 1 67 ASP HB2 4.620 . 5.310 2.131 1.796 2.941 0.004 9 0 "[ . 1 . 2]" 1
935 1 57 ILE HB 1 67 ASP QB 4.020 . 4.620 2.069 1.778 2.622 0.022 9 0 "[ . 1 . 2]" 1
936 1 57 ILE HB 1 67 ASP HB3 4.620 . 5.310 2.903 2.565 3.472 . 0 0 "[ . 1 . 2]" 1
937 1 57 ILE MD 1 58 ASP H 4.750 . 5.460 4.094 3.932 4.271 . 0 0 "[ . 1 . 2]" 1
938 1 57 ILE MD 1 67 ASP QB 3.750 . 4.310 2.429 1.965 3.444 . 0 0 "[ . 1 . 2]" 1
939 1 57 ILE MD 1 68 PHE H 4.230 . 4.860 3.882 3.502 4.863 0.003 2 0 "[ . 1 . 2]" 1
940 1 57 ILE MD 1 69 LYS H 4.450 . 5.120 3.930 3.536 4.363 . 0 0 "[ . 1 . 2]" 1
941 1 57 ILE MD 1 69 LYS HA 4.230 . 4.860 3.217 2.796 3.703 . 0 0 "[ . 1 . 2]" 1
942 1 57 ILE MD 1 69 LYS QB 3.600 . 4.140 1.864 1.759 2.135 0.041 8 0 "[ . 1 . 2]" 1
943 1 57 ILE MD 1 69 LYS QE 4.090 . 4.700 4.049 3.530 4.692 . 0 0 "[ . 1 . 2]" 1
944 1 57 ILE HG12 1 67 ASP QB 5.190 . 5.970 4.467 4.103 5.123 . 0 0 "[ . 1 . 2]" 1
945 1 57 ILE HG12 1 69 LYS QB 4.250 . 4.890 2.436 2.144 2.970 . 0 0 "[ . 1 . 2]" 1
946 1 57 ILE HG12 1 69 LYS QE 4.860 . 5.590 3.458 2.583 4.640 . 0 0 "[ . 1 . 2]" 1
947 1 57 ILE HG13 1 58 ASP H 3.980 . 4.580 3.976 3.816 4.051 . 0 0 "[ . 1 . 2]" 1
948 1 57 ILE HG13 1 67 ASP HB2 5.180 . 5.960 3.952 3.279 4.790 . 0 0 "[ . 1 . 2]" 1
949 1 57 ILE HG13 1 67 ASP QB 4.560 . 5.240 3.507 3.011 4.089 . 0 0 "[ . 1 . 2]" 1
950 1 57 ILE HG13 1 67 ASP HB3 5.180 . 5.960 3.931 3.506 4.437 . 0 0 "[ . 1 . 2]" 1
951 1 57 ILE HG13 1 68 PHE H 4.750 . 5.460 4.362 4.044 5.130 . 0 0 "[ . 1 . 2]" 1
952 1 57 ILE HG13 1 68 PHE HA 4.840 . 5.570 3.020 2.668 3.728 . 0 0 "[ . 1 . 2]" 1
953 1 57 ILE MG 1 58 ASP H 3.990 . 4.590 3.000 2.861 3.220 . 0 0 "[ . 1 . 2]" 1
954 1 57 ILE MG 1 58 ASP HA 4.320 . 4.970 3.903 3.778 4.096 . 0 0 "[ . 1 . 2]" 1
955 1 57 ILE MG 1 58 ASP HB2 3.810 . 4.380 3.544 3.320 3.771 . 0 0 "[ . 1 . 2]" 1
956 1 57 ILE MG 1 67 ASP QB 4.490 . 5.160 3.247 3.019 3.661 . 0 0 "[ . 1 . 2]" 1
957 1 57 ILE MG 1 69 LYS QB 5.040 . 5.800 4.074 3.840 4.408 . 0 0 "[ . 1 . 2]" 1
958 1 57 ILE MG 1 69 LYS HD3 4.300 . 4.950 4.445 3.789 4.967 0.017 5 0 "[ . 1 . 2]" 1
959 1 57 ILE MG 1 69 LYS QE 5.340 . 6.140 4.809 3.972 5.342 . 0 0 "[ . 1 . 2]" 1
960 1 58 ASP H 1 59 VAL H 4.360 . 5.010 4.379 4.266 4.463 . 0 0 "[ . 1 . 2]" 1
961 1 58 ASP H 1 59 VAL MG2 4.010 . 4.610 4.401 4.036 4.634 0.024 5 0 "[ . 1 . 2]" 1
962 1 58 ASP H 1 66 ILE HA 5.100 . 5.870 4.714 4.394 5.353 . 0 0 "[ . 1 . 2]" 1
963 1 58 ASP H 1 66 ILE MG 4.270 . 4.910 4.025 3.206 4.824 . 0 0 "[ . 1 . 2]" 1
964 1 58 ASP H 1 67 ASP H 3.960 . 4.550 2.974 2.746 3.423 . 0 0 "[ . 1 . 2]" 1
965 1 58 ASP H 1 67 ASP QB 3.860 . 4.440 2.119 1.795 2.897 0.005 11 0 "[ . 1 . 2]" 1
966 1 58 ASP H 1 68 PHE HA 5.500 . 6.330 5.137 4.746 5.485 . 0 0 "[ . 1 . 2]" 1
967 1 58 ASP HA 1 59 VAL H 3.020 . 3.470 2.217 2.140 2.339 . 0 0 "[ . 1 . 2]" 1
968 1 58 ASP HA 1 59 VAL MG2 4.050 . 4.660 3.581 3.304 3.862 . 0 0 "[ . 1 . 2]" 1
969 1 58 ASP HB2 1 59 VAL MG2 5.500 . 6.330 5.279 5.034 5.458 . 0 0 "[ . 1 . 2]" 1
970 1 58 ASP HB3 1 59 VAL H 3.350 . 3.850 3.005 2.582 3.347 . 0 0 "[ . 1 . 2]" 1
971 1 58 ASP HB3 1 59 VAL MG2 5.500 . 6.330 4.932 4.698 5.135 . 0 0 "[ . 1 . 2]" 1
972 1 59 VAL H 1 60 ARG H 4.560 . 5.240 4.210 4.030 4.467 . 0 0 "[ . 1 . 2]" 1
973 1 59 VAL HA 1 60 ARG H 3.120 . 3.590 2.181 2.160 2.214 . 0 0 "[ . 1 . 2]" 1
974 1 59 VAL HB 1 60 ARG H 4.320 . 4.970 4.359 4.178 4.425 . 0 0 "[ . 1 . 2]" 1
975 1 59 VAL MG1 1 60 ARG H 3.440 . 3.960 3.077 2.685 3.236 . 0 0 "[ . 1 . 2]" 1
976 1 59 VAL MG1 1 61 PRO HA 4.170 . 4.800 4.046 3.501 4.726 . 0 0 "[ . 1 . 2]" 1
977 1 59 VAL MG1 1 61 PRO HD2 4.470 . 5.140 4.314 3.789 4.858 . 0 0 "[ . 1 . 2]" 1
978 1 59 VAL MG1 1 61 PRO HD3 3.610 . 4.150 2.905 2.437 3.495 . 0 0 "[ . 1 . 2]" 1
979 1 59 VAL MG1 1 61 PRO HG3 5.100 . 5.870 4.020 2.991 4.942 . 0 0 "[ . 1 . 2]" 1
980 1 59 VAL MG1 1 62 GLU H 5.500 . 6.330 5.860 5.465 6.105 . 0 0 "[ . 1 . 2]" 1
981 1 59 VAL MG1 1 64 ARG H 5.500 . 6.330 5.720 5.075 6.279 . 0 0 "[ . 1 . 2]" 1
982 1 59 VAL MG1 1 65 GLU H 4.950 . 5.690 5.240 4.679 5.635 . 0 0 "[ . 1 . 2]" 1
983 1 59 VAL MG1 1 66 ILE H 5.500 . 6.330 5.363 4.965 5.778 . 0 0 "[ . 1 . 2]" 1
984 1 59 VAL MG1 1 66 ILE HA 4.590 . 5.280 3.887 3.407 4.452 . 0 0 "[ . 1 . 2]" 1
985 1 59 VAL MG1 1 66 ILE HG12 3.880 . 4.460 1.989 1.829 2.328 . 0 0 "[ . 1 . 2]" 1
986 1 59 VAL MG1 1 66 ILE MG 3.860 . 4.440 3.283 2.937 3.664 . 0 0 "[ . 1 . 2]" 1
987 1 59 VAL MG2 1 60 ARG H 4.140 . 4.760 4.198 4.070 4.278 . 0 0 "[ . 1 . 2]" 1
988 1 59 VAL MG2 1 66 ILE MG 3.520 . 4.050 1.992 1.788 2.306 0.012 15 0 "[ . 1 . 2]" 1
989 1 59 VAL MG2 1 67 ASP H 4.490 . 5.160 4.328 3.874 5.043 . 0 0 "[ . 1 . 2]" 1
990 1 60 ARG H 1 64 ARG H 4.990 . 5.740 5.165 4.811 5.731 . 0 0 "[ . 1 . 2]" 1
991 1 60 ARG H 1 65 GLU H 4.050 . 4.660 3.795 3.454 4.284 . 0 0 "[ . 1 . 2]" 1
992 1 60 ARG H 1 66 ILE HA 4.770 . 5.490 3.165 2.663 3.847 . 0 0 "[ . 1 . 2]" 1
993 1 60 ARG H 1 66 ILE HG12 3.980 . 4.580 3.430 2.901 4.021 . 0 0 "[ . 1 . 2]" 1
994 1 60 ARG H 1 66 ILE MG 4.720 . 5.430 4.418 3.864 5.016 . 0 0 "[ . 1 . 2]" 1
995 1 60 ARG HA 1 61 PRO HD2 3.640 . 4.190 2.167 1.842 2.596 . 0 0 "[ . 1 . 2]" 1
996 1 60 ARG HA 1 61 PRO HD3 3.700 . 4.260 2.497 2.042 2.814 . 0 0 "[ . 1 . 2]" 1
997 1 60 ARG HA 1 61 PRO HG2 4.220 . 4.850 4.259 3.983 4.542 . 0 0 "[ . 1 . 2]" 1
998 1 60 ARG HA 1 61 PRO HG3 4.560 . 5.240 4.423 4.240 4.537 . 0 0 "[ . 1 . 2]" 1
999 1 60 ARG HA 1 62 GLU H 4.390 . 5.050 3.834 3.323 4.537 . 0 0 "[ . 1 . 2]" 1
1000 1 60 ARG HB2 1 63 LYS H 4.740 . 5.450 3.502 3.026 3.838 . 0 0 "[ . 1 . 2]" 1
1001 1 60 ARG HB2 1 63 LYS HB2 4.480 . 5.150 2.652 2.032 3.361 . 0 0 "[ . 1 . 2]" 1
1002 1 60 ARG HB2 1 65 GLU H 3.680 . 4.230 2.927 2.063 4.038 . 0 0 "[ . 1 . 2]" 1
1003 1 60 ARG HB3 1 61 PRO HD2 4.560 . 5.240 3.900 3.622 4.175 . 0 0 "[ . 1 . 2]" 1
1004 1 60 ARG HB3 1 61 PRO HD3 4.700 . 5.400 4.691 4.251 4.955 . 0 0 "[ . 1 . 2]" 1
1005 1 60 ARG HB3 1 62 GLU H 4.350 . 5.000 3.858 3.328 4.775 . 0 0 "[ . 1 . 2]" 1
1006 1 60 ARG HB3 1 63 LYS H 4.220 . 4.850 3.006 2.662 3.354 . 0 0 "[ . 1 . 2]" 1
1007 1 60 ARG QD 1 63 LYS HG3 4.080 . 4.690 3.285 2.054 4.757 0.067 13 0 "[ . 1 . 2]" 1
1008 1 61 PRO HA 1 63 LYS H 4.300 . 4.950 4.196 3.907 4.674 . 0 0 "[ . 1 . 2]" 1
1009 1 61 PRO HA 1 64 ARG H 4.050 . 4.660 3.204 2.661 3.858 . 0 0 "[ . 1 . 2]" 1
1010 1 61 PRO HA 1 64 ARG HA 3.860 . 4.440 3.179 2.376 4.122 . 0 0 "[ . 1 . 2]" 1
1011 1 61 PRO HA 1 64 ARG HG2 4.850 . 5.580 4.152 3.241 5.345 . 0 0 "[ . 1 . 2]" 1
1012 1 61 PRO QB 1 62 GLU H 3.790 . 4.360 2.823 2.001 3.369 . 0 0 "[ . 1 . 2]" 1
1013 1 61 PRO HB2 1 62 GLU H 4.320 . 4.970 2.902 2.012 3.527 . 0 0 "[ . 1 . 2]" 1
1014 1 61 PRO HB3 1 62 GLU H 4.320 . 4.970 4.010 3.546 4.275 . 0 0 "[ . 1 . 2]" 1
1015 1 61 PRO HD2 1 62 GLU H 3.720 . 4.280 2.813 2.428 3.264 . 0 0 "[ . 1 . 2]" 1
1016 1 61 PRO HD3 1 62 GLU H 4.090 . 4.700 4.011 3.809 4.220 . 0 0 "[ . 1 . 2]" 1
1017 1 61 PRO HG2 1 62 GLU H 2.960 . 3.960 2.994 2.047 3.981 0.021 16 0 "[ . 1 . 2]" 1
1018 1 61 PRO HG3 1 62 GLU H 4.170 . 4.800 4.162 3.667 4.520 . 0 0 "[ . 1 . 2]" 1
1019 1 62 GLU H 1 63 LYS H 3.310 . 3.810 2.764 2.648 2.888 . 0 0 "[ . 1 . 2]" 1
1020 1 62 GLU H 1 63 LYS HB2 4.710 . 5.420 5.084 4.894 5.287 . 0 0 "[ . 1 . 2]" 1
1021 1 62 GLU H 1 63 LYS HG2 4.310 . 4.960 4.687 4.376 5.001 0.041 15 0 "[ . 1 . 2]" 1
1022 1 62 GLU H 1 64 ARG H 4.180 . 4.810 3.874 3.638 4.107 . 0 0 "[ . 1 . 2]" 1
1023 1 62 GLU HA 1 64 ARG H 4.300 . 4.950 4.250 4.022 4.515 . 0 0 "[ . 1 . 2]" 1
1024 1 62 GLU HB2 1 63 LYS H 4.490 . 5.160 3.802 3.546 4.024 . 0 0 "[ . 1 . 2]" 1
1025 1 62 GLU HB2 1 63 LYS HG2 4.540 . 5.220 3.912 3.383 4.572 . 0 0 "[ . 1 . 2]" 1
1026 1 62 GLU HB3 1 63 LYS H 4.860 . 5.590 4.008 3.879 4.188 . 0 0 "[ . 1 . 2]" 1
1027 1 62 GLU QG 1 63 LYS H 3.800 . 4.370 2.187 1.844 2.572 . 0 0 "[ . 1 . 2]" 1
1028 1 62 GLU QG 1 63 LYS HB2 4.670 . 5.370 3.413 2.958 3.857 . 0 0 "[ . 1 . 2]" 1
1029 1 62 GLU QG 1 63 LYS QD 4.760 . 5.470 3.265 2.455 3.849 . 0 0 "[ . 1 . 2]" 1
1030 1 62 GLU QG 1 63 LYS HG2 4.230 . 4.860 1.855 1.720 2.142 0.080 19 0 "[ . 1 . 2]" 1
1031 1 62 GLU HG2 1 63 LYS H 4.480 . 5.150 2.681 2.428 3.095 . 0 0 "[ . 1 . 2]" 1
1032 1 62 GLU HG3 1 63 LYS H 4.480 . 5.150 2.335 1.895 2.801 . 0 0 "[ . 1 . 2]" 1
1033 1 63 LYS H 1 64 ARG H 3.010 . 3.460 2.195 2.003 2.468 . 0 0 "[ . 1 . 2]" 1
1034 1 63 LYS H 1 64 ARG HA 4.620 . 5.310 4.392 4.165 4.715 . 0 0 "[ . 1 . 2]" 1
1035 1 63 LYS H 1 64 ARG HG3 4.190 . 4.820 4.598 4.400 4.789 . 0 0 "[ . 1 . 2]" 1
1036 1 63 LYS HA 1 64 ARG H 3.430 . 3.940 3.368 3.270 3.427 . 0 0 "[ . 1 . 2]" 1
1037 1 63 LYS HB2 1 65 GLU H 4.850 . 5.580 2.758 2.485 3.120 . 0 0 "[ . 1 . 2]" 1
1038 1 63 LYS HB2 1 65 GLU HG3 4.610 . 5.300 3.289 2.736 5.128 . 0 0 "[ . 1 . 2]" 1
1039 1 63 LYS HB3 1 65 GLU H 4.640 . 5.340 3.594 2.994 4.067 . 0 0 "[ . 1 . 2]" 1
1040 1 63 LYS HG2 1 64 ARG H 4.680 . 5.380 4.583 4.395 4.774 . 0 0 "[ . 1 . 2]" 1
1041 1 63 LYS HG3 1 65 GLU HB2 4.590 . 5.280 4.437 3.937 5.035 . 0 0 "[ . 1 . 2]" 1
1042 1 64 ARG H 1 65 GLU H 3.150 . 3.620 2.683 2.609 2.837 . 0 0 "[ . 1 . 2]" 1
1043 1 64 ARG H 1 65 GLU HG3 5.130 . 5.900 4.493 4.230 5.244 . 0 0 "[ . 1 . 2]" 1
1044 1 64 ARG HA 1 65 GLU H 3.280 . 3.770 2.959 2.764 3.278 . 0 0 "[ . 1 . 2]" 1
1045 1 64 ARG QB 1 65 GLU H 3.960 . 4.550 3.758 3.443 3.874 . 0 0 "[ . 1 . 2]" 1
1046 1 64 ARG HB2 1 65 GLU H 4.510 . 5.190 4.061 3.627 4.277 . 0 0 "[ . 1 . 2]" 1
1047 1 64 ARG HB3 1 65 GLU H 4.510 . 5.190 4.442 4.288 4.498 . 0 0 "[ . 1 . 2]" 1
1048 1 65 GLU H 1 66 ILE H 4.730 . 5.440 4.429 4.285 4.519 . 0 0 "[ . 1 . 2]" 1
1049 1 65 GLU H 1 66 ILE HG13 5.320 . 6.120 4.655 4.411 5.015 . 0 0 "[ . 1 . 2]" 1
1050 1 65 GLU HA 1 66 ILE H 3.060 . 3.520 2.200 2.138 2.392 . 0 0 "[ . 1 . 2]" 1
1051 1 65 GLU HB2 1 66 ILE H 4.000 . 4.600 4.116 3.730 4.340 . 0 0 "[ . 1 . 2]" 1
1052 1 65 GLU HB3 1 66 ILE H 3.910 . 4.500 3.154 2.458 3.482 . 0 0 "[ . 1 . 2]" 1
1053 1 65 GLU HG2 1 66 ILE H 4.210 . 4.840 4.362 3.880 4.530 . 0 0 "[ . 1 . 2]" 1
1054 1 65 GLU HG3 1 66 ILE H 4.950 . 5.690 5.082 4.771 5.178 . 0 0 "[ . 1 . 2]" 1
1055 1 66 ILE H 1 67 ASP H 4.590 . 5.280 4.310 4.088 4.488 . 0 0 "[ . 1 . 2]" 1
1056 1 66 ILE HA 1 67 ASP H 3.250 . 3.740 2.181 2.154 2.233 . 0 0 "[ . 1 . 2]" 1
1057 1 66 ILE HB 1 67 ASP H 4.420 . 5.080 4.228 4.050 4.383 . 0 0 "[ . 1 . 2]" 1
1058 1 66 ILE MG 1 67 ASP H 3.430 . 3.940 2.781 2.451 3.070 . 0 0 "[ . 1 . 2]" 1
1059 1 66 ILE MG 1 68 PHE H 5.020 . 5.770 4.555 4.270 4.783 . 0 0 "[ . 1 . 2]" 1
1060 1 67 ASP H 1 68 PHE H 4.760 . 5.470 4.561 4.477 4.604 . 0 0 "[ . 1 . 2]" 1
1061 1 67 ASP HA 1 68 PHE H 3.360 . 3.860 2.206 2.162 2.232 . 0 0 "[ . 1 . 2]" 1
1062 1 67 ASP QB 1 68 PHE H 3.960 . 4.550 3.088 2.878 3.379 . 0 0 "[ . 1 . 2]" 1
1063 1 68 PHE H 1 69 LYS H 4.570 . 5.260 4.517 4.480 4.552 . 0 0 "[ . 1 . 2]" 1
1064 1 68 PHE QB 1 69 LYS H 3.900 . 4.490 2.588 2.267 2.920 . 0 0 "[ . 1 . 2]" 1
1065 1 68 PHE HB2 1 69 LYS H 4.470 . 5.140 3.815 3.557 4.105 . 0 0 "[ . 1 . 2]" 1
1066 1 68 PHE HB3 1 69 LYS H 4.470 . 5.140 2.634 2.294 2.988 . 0 0 "[ . 1 . 2]" 1
1067 1 68 PHE HD1 1 69 LYS H 4.110 . 4.730 3.653 3.381 3.865 . 0 0 "[ . 1 . 2]" 1
1068 1 69 LYS H 1 70 TYR H 5.160 . 5.930 4.404 4.209 4.453 . 0 0 "[ . 1 . 2]" 1
1069 1 69 LYS QB 1 70 TYR H 4.480 . 5.150 3.605 3.531 3.738 . 0 0 "[ . 1 . 2]" 1
1070 1 69 LYS HD2 1 70 TYR H 4.530 . 5.210 4.797 4.617 5.232 0.022 3 0 "[ . 1 . 2]" 1
1071 1 69 LYS QE 1 70 TYR H 4.450 . 5.120 4.620 4.285 5.013 . 0 0 "[ . 1 . 2]" 1
1072 1 69 LYS QE 1 71 ILE MD 3.890 . 4.470 4.149 3.812 4.497 0.027 16 0 "[ . 1 . 2]" 1
1073 1 69 LYS QE 1 71 ILE HG12 4.100 . 4.720 4.745 4.724 4.782 0.062 16 0 "[ . 1 . 2]" 1
1074 1 69 LYS QE 1 71 ILE MG 3.080 . 3.540 2.085 1.841 2.389 . 0 0 "[ . 1 . 2]" 1
1075 1 69 LYS QG 1 70 TYR H 3.770 . 4.340 2.426 2.245 2.784 . 0 0 "[ . 1 . 2]" 1
1076 1 69 LYS QG 1 71 ILE MG 3.810 . 4.380 2.922 2.592 3.417 . 0 0 "[ . 1 . 2]" 1
1077 1 69 LYS HG2 1 70 TYR H 4.370 . 5.030 2.618 2.328 3.086 . 0 0 "[ . 1 . 2]" 1
1078 1 69 LYS HG3 1 70 TYR H 4.370 . 5.030 2.901 2.709 3.172 . 0 0 "[ . 1 . 2]" 1
1079 1 70 TYR H 1 71 ILE H 4.950 . 5.690 4.494 4.368 4.575 . 0 0 "[ . 1 . 2]" 1
1080 1 70 TYR QD 1 71 ILE H 4.260 . 4.900 3.565 3.176 3.916 . 0 0 "[ . 1 . 2]" 1
1081 1 71 ILE MD 1 72 PRO HD2 4.550 . 5.230 4.748 4.056 5.176 . 0 0 "[ . 1 . 2]" 1
1082 1 71 ILE MG 1 72 PRO HG2 4.900 . 5.640 5.225 4.768 5.637 . 0 0 "[ . 1 . 2]" 1
1083 1 72 PRO HA 1 73 LEU H 3.430 . 3.940 2.434 2.186 3.464 . 0 0 "[ . 1 . 2]" 1
1084 1 72 PRO QB 1 73 LEU H 4.100 . 4.720 3.505 2.684 3.959 . 0 0 "[ . 1 . 2]" 1
1085 1 73 LEU H 1 74 GLU H 4.360 . 5.010 4.366 3.867 4.655 . 0 0 "[ . 1 . 2]" 1
1086 1 73 LEU HA 1 74 GLU H 3.260 . 3.750 2.206 2.124 2.399 . 0 0 "[ . 1 . 2]" 1
1087 1 73 LEU MD1 1 74 GLU HA 5.330 . 6.130 5.399 4.290 6.029 . 0 0 "[ . 1 . 2]" 1
1088 1 73 LEU MD2 1 74 GLU HA 4.080 . 5.080 4.164 3.056 5.210 0.130 3 0 "[ . 1 . 2]" 1
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