NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547530 |
2lvc   |
18563 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lvc
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 1302
_Distance_constraint_stats_list.Viol_count 429
_Distance_constraint_stats_list.Viol_total 611.996
_Distance_constraint_stats_list.Viol_max 0.400
_Distance_constraint_stats_list.Viol_rms 0.0116
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0713
_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 3 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.253 0.161 1 0 "[ . 1 . 2]"
1 5 VAL 0.766 0.161 1 0 "[ . 1 . 2]"
1 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.403 0.124 7 0 "[ . 1 . 2]"
1 8 VAL 1.378 0.138 6 0 "[ . 1 . 2]"
1 9 ASP 0.462 0.155 5 0 "[ . 1 . 2]"
1 10 PRO 0.095 0.095 15 0 "[ . 1 . 2]"
1 11 ARG 2.292 0.260 6 0 "[ . 1 . 2]"
1 12 GLU 0.659 0.309 18 0 "[ . 1 . 2]"
1 13 HIS 0.018 0.014 1 0 "[ . 1 . 2]"
1 14 VAL 0.397 0.309 18 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.022 0.022 15 0 "[ . 1 . 2]"
1 17 HIS 0.158 0.076 5 0 "[ . 1 . 2]"
1 18 ALA 0.378 0.099 8 0 "[ . 1 . 2]"
1 19 ILE 0.395 0.214 8 0 "[ . 1 . 2]"
1 20 THR 0.617 0.214 8 0 "[ . 1 . 2]"
1 21 SER 0.092 0.042 8 0 "[ . 1 . 2]"
1 22 GLU 0.181 0.107 17 0 "[ . 1 . 2]"
1 23 CYS 0.319 0.141 9 0 "[ . 1 . 2]"
1 24 VAL 0.426 0.162 3 0 "[ . 1 . 2]"
1 25 MET 0.423 0.105 10 0 "[ . 1 . 2]"
1 26 LEU 0.249 0.070 16 0 "[ . 1 . 2]"
1 27 ALA 0.076 0.050 6 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLU 1.285 0.170 10 0 "[ . 1 . 2]"
1 30 VAL 1.581 0.170 10 0 "[ . 1 . 2]"
1 31 ASP 1.148 0.138 6 0 "[ . 1 . 2]"
1 32 ARG 2.391 0.245 14 0 "[ . 1 . 2]"
1 33 GLU 0.028 0.028 16 0 "[ . 1 . 2]"
1 34 ASP 0.392 0.113 12 0 "[ . 1 . 2]"
1 35 ALA 1.384 0.245 14 0 "[ . 1 . 2]"
1 36 PRO 0.021 0.021 4 0 "[ . 1 . 2]"
1 37 VAL 1.257 0.187 16 0 "[ . 1 . 2]"
1 38 ARG 1.613 0.187 16 0 "[ . 1 . 2]"
1 39 TRP 1.190 0.098 10 0 "[ . 1 . 2]"
1 40 TYR 1.112 0.259 19 0 "[ . 1 . 2]"
1 41 LYS 3.091 0.234 2 0 "[ . 1 . 2]"
1 42 ASP 1.302 0.189 4 0 "[ . 1 . 2]"
1 43 GLY 0.153 0.098 20 0 "[ . 1 . 2]"
1 44 GLN 0.894 0.259 19 0 "[ . 1 . 2]"
1 45 GLU 0.583 0.164 13 0 "[ . 1 . 2]"
1 46 VAL 0.973 0.164 13 0 "[ . 1 . 2]"
1 47 GLU 0.859 0.216 9 0 "[ . 1 . 2]"
1 48 GLU 0.828 0.216 9 0 "[ . 1 . 2]"
1 49 SER 0.821 0.400 14 0 "[ . 1 . 2]"
1 50 ASP 0.226 0.154 3 0 "[ . 1 . 2]"
1 51 PHE 0.650 0.400 14 0 "[ . 1 . 2]"
1 52 VAL 0.466 0.120 2 0 "[ . 1 . 2]"
1 53 VAL 0.530 0.110 17 0 "[ . 1 . 2]"
1 54 LEU 1.056 0.143 16 0 "[ . 1 . 2]"
1 55 GLU 0.481 0.102 19 0 "[ . 1 . 2]"
1 56 ASN 0.140 0.074 8 0 "[ . 1 . 2]"
1 57 GLU 0.140 0.074 8 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PRO 0.034 0.033 10 0 "[ . 1 . 2]"
1 60 HIS 0.838 0.172 12 0 "[ . 1 . 2]"
1 61 ARG 1.263 0.165 10 0 "[ . 1 . 2]"
1 62 ARG 0.947 0.172 12 0 "[ . 1 . 2]"
1 63 LEU 0.441 0.091 17 0 "[ . 1 . 2]"
1 64 VAL 0.085 0.071 12 0 "[ . 1 . 2]"
1 65 LEU 2.906 0.249 9 0 "[ . 1 . 2]"
1 66 PRO 2.645 0.249 9 0 "[ . 1 . 2]"
1 67 ALA 0.066 0.038 18 0 "[ . 1 . 2]"
1 68 THR 0.925 0.204 17 0 "[ . 1 . 2]"
1 69 GLN 0.680 0.136 4 0 "[ . 1 . 2]"
1 70 PRO 0.653 0.177 8 0 "[ . 1 . 2]"
1 71 SER 0.315 0.177 8 0 "[ . 1 . 2]"
1 72 ASP 0.287 0.164 3 0 "[ . 1 . 2]"
1 73 GLY 2.391 0.234 2 0 "[ . 1 . 2]"
1 74 GLY 0.263 0.181 3 0 "[ . 1 . 2]"
1 75 GLU 1.263 0.189 4 0 "[ . 1 . 2]"
1 76 PHE 0.053 0.048 7 0 "[ . 1 . 2]"
1 77 GLN 0.417 0.132 10 0 "[ . 1 . 2]"
1 78 CYS 0.009 0.009 15 0 "[ . 1 . 2]"
1 79 VAL 1.510 0.177 8 0 "[ . 1 . 2]"
1 80 ALA 0.069 0.068 13 0 "[ . 1 . 2]"
1 81 GLY 0.496 0.208 12 0 "[ . 1 . 2]"
1 82 ASP 0.366 0.208 12 0 "[ . 1 . 2]"
1 83 GLU 0.382 0.124 7 0 "[ . 1 . 2]"
1 84 CYS 0.179 0.067 14 0 "[ . 1 . 2]"
1 85 ALA 0.038 0.020 19 0 "[ . 1 . 2]"
1 86 TYR 0.194 0.067 14 0 "[ . 1 . 2]"
1 87 PHE 0.040 0.022 15 0 "[ . 1 . 2]"
1 88 THR 0.239 0.239 7 0 "[ . 1 . 2]"
1 89 VAL 0.649 0.239 7 0 "[ . 1 . 2]"
1 90 THR 0.310 0.076 5 0 "[ . 1 . 2]"
1 91 ILE 1.336 0.204 17 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 3 MET HA 1 4 PRO HD2 3.940 . 3.940 2.609 2.117 3.133 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET HA 1 4 PRO HD3 3.940 . 3.940 2.300 1.904 3.071 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 4 PRO QG 5.470 . 5.470 4.002 3.732 4.286 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET QB 1 4 PRO QD 5.900 . 5.900 3.060 2.131 3.931 . 0 0 "[ . 1 . 2]" 1
5 1 4 PRO HA 1 5 VAL H 3.400 . 3.400 2.559 2.185 3.561 0.161 1 0 "[ . 1 . 2]" 1
6 1 4 PRO HA 1 5 VAL MG1 5.290 . 5.290 3.909 3.613 5.055 . 0 0 "[ . 1 . 2]" 1
7 1 5 VAL H 1 5 VAL HB 4.360 . 4.360 3.061 2.702 3.606 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL H 1 5 VAL MG1 4.210 . 4.210 2.123 1.872 2.849 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL H 1 6 HIS H 5.830 . 5.830 4.236 3.351 4.586 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL HA 1 6 HIS H 3.710 . 3.710 2.194 2.103 2.356 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL HA 1 32 ARG QB 5.260 . 5.260 2.916 1.890 5.055 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL HA 1 32 ARG QG 5.420 . 5.420 3.856 2.380 4.705 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL HB 1 6 HIS H 5.250 . 5.250 4.272 3.980 4.565 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL HB 1 32 ARG HE 5.370 . 5.370 4.582 2.430 5.489 0.119 2 0 "[ . 1 . 2]" 1
15 1 5 VAL HB 1 35 ALA MB 4.590 . 4.590 2.714 1.941 3.799 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL HB 1 81 GLY QA 5.660 . 5.660 4.880 4.154 5.507 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL MG1 1 6 HIS H 4.780 . 4.780 4.160 3.722 4.370 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL MG1 1 30 VAL HB 5.660 . 5.660 4.897 4.027 5.721 0.061 20 0 "[ . 1 . 2]" 1
19 1 5 VAL MG1 1 32 ARG QG 5.450 . 5.450 4.640 3.435 5.577 0.127 1 0 "[ . 1 . 2]" 1
20 1 5 VAL MG1 1 35 ALA MB 3.960 . 3.960 2.567 1.911 3.857 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL MG1 1 80 ALA HA 5.300 . 5.300 4.249 3.441 5.256 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL MG1 1 81 GLY H 4.830 . 4.830 3.516 3.138 4.229 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL MG1 1 81 GLY HA2 5.020 . 5.020 3.688 2.545 4.246 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL MG1 1 81 GLY QA 4.250 . 4.250 2.369 1.746 2.906 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL MG1 1 81 GLY HA3 5.020 . 5.020 2.401 1.758 2.961 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL MG2 1 6 HIS H 4.340 . 4.340 2.955 2.162 3.852 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL MG2 1 30 VAL HA 5.740 . 5.740 4.209 3.246 4.976 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL MG2 1 30 VAL HB 4.180 . 4.180 2.469 1.898 3.155 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL MG2 1 31 ASP H 4.860 . 4.860 3.393 2.117 4.326 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL MG2 1 32 ARG H 4.880 . 4.880 2.579 1.691 3.268 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL MG2 1 32 ARG QB 4.690 . 4.690 2.221 1.779 3.358 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL MG2 1 35 ALA MB 3.490 . 3.490 2.040 1.648 2.523 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL MG2 1 81 GLY H 4.960 . 4.960 4.564 3.961 4.973 0.013 10 0 "[ . 1 . 2]" 1
34 1 5 VAL MG2 1 81 GLY QA 5.420 . 5.420 4.166 2.554 4.972 . 0 0 "[ . 1 . 2]" 1
35 1 6 HIS H 1 6 HIS HD2 6.030 . 6.030 4.025 2.655 5.518 . 0 0 "[ . 1 . 2]" 1
36 1 6 HIS H 1 31 ASP H 4.700 . 4.700 3.684 3.222 4.225 . 0 0 "[ . 1 . 2]" 1
37 1 6 HIS H 1 32 ARG H 5.870 . 5.870 4.119 3.269 5.382 . 0 0 "[ . 1 . 2]" 1
38 1 6 HIS QB 1 7 ILE H 4.500 . 4.500 2.927 1.888 3.921 . 0 0 "[ . 1 . 2]" 1
39 1 6 HIS QB 1 8 VAL MG1 4.960 . 4.960 3.766 2.829 4.481 . 0 0 "[ . 1 . 2]" 1
40 1 6 HIS QB 1 8 VAL MG2 6.100 . 6.100 5.513 4.829 6.021 . 0 0 "[ . 1 . 2]" 1
41 1 6 HIS QB 1 31 ASP QB 4.730 . 4.730 3.238 2.343 4.506 . 0 0 "[ . 1 . 2]" 1
42 1 7 ILE H 1 7 ILE HB 4.000 . 4.000 2.545 2.354 2.702 . 0 0 "[ . 1 . 2]" 1
43 1 7 ILE H 1 7 ILE MD 4.850 . 4.850 3.654 2.178 4.188 . 0 0 "[ . 1 . 2]" 1
44 1 7 ILE H 1 7 ILE HG12 4.740 . 4.740 3.615 2.503 4.118 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE H 1 7 ILE QG 4.160 . 4.160 2.530 2.011 3.623 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE HG13 4.740 . 4.740 2.670 2.028 4.020 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE H 1 83 GLU QG 5.440 . 5.440 3.001 1.691 4.881 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE HA 1 7 ILE MD 4.560 . 4.560 3.675 2.209 3.940 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE HA 1 7 ILE QG 3.860 . 3.860 2.474 2.380 3.028 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE HA 1 8 VAL H 3.550 . 3.550 2.174 2.114 2.249 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE HA 1 8 VAL MG1 5.250 . 5.250 3.952 3.755 4.140 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE HA 1 8 VAL MG2 4.910 . 4.910 3.726 3.460 3.862 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HA 1 9 ASP H 4.780 . 4.780 3.699 3.408 4.094 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE HA 1 30 VAL HA 4.040 . 4.040 2.243 1.814 2.707 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE HA 1 30 VAL MG1 4.480 . 4.480 2.777 1.877 3.737 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE HA 1 31 ASP H 5.760 . 5.760 3.410 2.491 4.056 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE MD 1 79 VAL HA 5.170 . 5.170 3.613 2.991 4.754 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE MD 1 80 ALA H 4.590 . 4.590 2.606 1.831 3.258 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE MD 1 80 ALA MB 3.510 . 3.510 2.391 2.021 2.864 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE MD 1 83 GLU HA 5.750 . 5.750 4.551 3.925 5.241 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE MD 1 83 GLU HB2 4.630 . 4.630 3.523 2.658 4.754 0.124 7 0 "[ . 1 . 2]" 1
62 1 7 ILE MD 1 83 GLU HB3 4.630 . 4.630 3.232 2.082 4.700 0.070 18 0 "[ . 1 . 2]" 1
63 1 7 ILE MD 1 83 GLU QG 6.100 . 6.100 4.053 1.951 5.670 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE MD 1 84 CYS H 4.860 . 4.860 3.466 3.090 4.053 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE MD 1 84 CYS HA 4.320 . 4.320 2.535 2.253 3.550 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE MD 1 85 ALA H 4.250 . 4.250 2.551 1.800 3.686 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE MD 1 85 ALA HA 5.430 . 5.430 3.797 3.349 4.864 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE MD 1 85 ALA MB 3.770 . 3.770 2.420 1.996 3.790 0.020 19 0 "[ . 1 . 2]" 1
69 1 7 ILE QG 1 30 VAL MG1 4.790 . 4.790 2.244 1.818 3.773 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE QG 1 80 ALA MB 4.500 . 4.500 2.354 2.031 3.506 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE QG 1 83 GLU QB 4.210 . 4.210 2.656 1.691 4.261 0.051 11 0 "[ . 1 . 2]" 1
72 1 7 ILE QG 1 83 GLU QG 5.890 . 5.890 3.864 2.213 5.612 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE MG 1 8 VAL H 4.440 . 4.440 3.116 2.744 3.579 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE MG 1 9 ASP H 4.040 . 4.040 2.513 2.244 2.840 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE MG 1 9 ASP HA 5.510 . 5.510 3.661 3.339 3.976 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE MG 1 10 PRO HD2 4.660 . 4.660 2.832 2.341 3.146 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE MG 1 10 PRO HD3 5.310 . 5.310 4.004 3.387 4.334 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE MG 1 28 CYS HA 5.730 . 5.730 3.904 3.260 4.421 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE MG 1 28 CYS QB 5.260 . 5.260 3.906 2.670 4.497 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE MG 1 29 GLU H 5.060 . 5.060 3.345 2.445 4.153 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE MG 1 30 VAL HA 5.800 . 5.800 3.522 2.764 4.318 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE MG 1 85 ALA H 6.160 . 6.160 4.122 3.664 4.523 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE MG 1 85 ALA HA 5.940 . 5.940 4.117 2.994 4.826 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE MG 1 85 ALA MB 3.900 . 3.900 2.145 1.810 2.617 . 0 0 "[ . 1 . 2]" 1
85 1 8 VAL H 1 8 VAL HB 4.270 . 4.270 3.676 3.595 3.740 . 0 0 "[ . 1 . 2]" 1
86 1 8 VAL H 1 8 VAL MG1 4.690 . 4.690 2.512 2.229 2.840 . 0 0 "[ . 1 . 2]" 1
87 1 8 VAL H 1 8 VAL MG2 3.810 . 3.810 2.000 1.901 2.067 . 0 0 "[ . 1 . 2]" 1
88 1 8 VAL H 1 9 ASP H 3.600 . 3.600 2.462 2.210 2.759 . 0 0 "[ . 1 . 2]" 1
89 1 8 VAL H 1 30 VAL HA 4.330 . 4.330 2.581 2.128 3.300 . 0 0 "[ . 1 . 2]" 1
90 1 8 VAL HB 1 9 ASP H 4.450 . 4.450 3.933 3.678 4.140 . 0 0 "[ . 1 . 2]" 1
91 1 8 VAL HB 1 9 ASP HB2 4.480 . 4.480 4.177 3.934 4.531 0.051 16 0 "[ . 1 . 2]" 1
92 1 8 VAL HB 1 9 ASP HB3 5.130 . 5.130 4.926 4.479 5.194 0.064 15 0 "[ . 1 . 2]" 1
93 1 8 VAL MG1 1 9 ASP HB2 6.040 . 6.040 5.366 5.162 5.596 . 0 0 "[ . 1 . 2]" 1
94 1 8 VAL MG1 1 9 ASP HB3 5.780 . 5.780 5.649 5.470 5.802 0.022 8 0 "[ . 1 . 2]" 1
95 1 8 VAL MG1 1 31 ASP H 4.340 . 4.340 3.153 2.543 3.975 . 0 0 "[ . 1 . 2]" 1
96 1 8 VAL MG1 1 31 ASP HA 5.290 . 5.290 2.807 2.304 3.607 . 0 0 "[ . 1 . 2]" 1
97 1 8 VAL MG1 1 31 ASP QB 4.380 . 4.380 2.058 1.671 2.386 . 0 0 "[ . 1 . 2]" 1
98 1 8 VAL MG2 1 9 ASP H 4.320 . 4.320 2.424 2.098 2.697 . 0 0 "[ . 1 . 2]" 1
99 1 8 VAL MG2 1 9 ASP HB2 5.520 . 5.520 3.104 2.520 3.602 . 0 0 "[ . 1 . 2]" 1
100 1 8 VAL MG2 1 9 ASP HB3 4.650 . 4.650 2.994 2.805 3.253 . 0 0 "[ . 1 . 2]" 1
101 1 8 VAL MG2 1 29 GLU H 5.620 . 5.620 4.276 4.020 4.670 . 0 0 "[ . 1 . 2]" 1
102 1 8 VAL MG2 1 29 GLU QB 4.120 . 4.120 2.774 2.395 3.568 . 0 0 "[ . 1 . 2]" 1
103 1 8 VAL MG2 1 29 GLU QG 5.290 . 5.290 3.562 2.404 5.166 . 0 0 "[ . 1 . 2]" 1
104 1 8 VAL MG2 1 30 VAL HA 4.650 . 4.650 2.993 2.228 3.804 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL MG2 1 31 ASP H 5.220 . 5.220 3.576 3.035 4.121 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL MG2 1 31 ASP HA 4.530 . 4.530 3.268 2.588 3.830 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL MG2 1 31 ASP HB2 4.830 . 4.830 4.087 3.394 4.908 0.078 1 0 "[ . 1 . 2]" 1
108 1 8 VAL MG2 1 31 ASP QB 4.020 . 4.020 3.670 3.307 3.963 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL MG2 1 31 ASP HB3 4.830 . 4.830 4.565 3.713 4.968 0.138 6 0 "[ . 1 . 2]" 1
110 1 9 ASP H 1 9 ASP HB3 4.300 . 4.300 2.944 2.690 3.164 . 0 0 "[ . 1 . 2]" 1
111 1 9 ASP H 1 10 PRO HA 5.850 . 5.850 4.640 4.400 4.817 . 0 0 "[ . 1 . 2]" 1
112 1 9 ASP H 1 29 GLU H 4.350 . 4.350 3.566 3.146 4.007 . 0 0 "[ . 1 . 2]" 1
113 1 9 ASP H 1 29 GLU QB 4.820 . 4.820 3.493 3.061 4.388 . 0 0 "[ . 1 . 2]" 1
114 1 9 ASP H 1 30 VAL HA 5.510 . 5.510 4.117 3.429 4.776 . 0 0 "[ . 1 . 2]" 1
115 1 9 ASP HA 1 10 PRO HA 3.530 . 3.530 2.051 1.883 2.220 . 0 0 "[ . 1 . 2]" 1
116 1 9 ASP HA 1 11 ARG H 4.120 . 4.120 2.951 2.201 3.828 . 0 0 "[ . 1 . 2]" 1
117 1 9 ASP HA 1 11 ARG QG 5.740 . 5.740 4.081 2.564 5.895 0.155 5 0 "[ . 1 . 2]" 1
118 1 9 ASP HB2 1 10 PRO HA 5.280 . 5.280 4.020 3.838 4.261 . 0 0 "[ . 1 . 2]" 1
119 1 9 ASP HB2 1 29 GLU H 6.150 . 6.150 4.944 3.841 5.936 . 0 0 "[ . 1 . 2]" 1
120 1 9 ASP HB2 1 29 GLU QB 5.420 . 5.420 3.774 2.918 4.828 . 0 0 "[ . 1 . 2]" 1
121 1 9 ASP HB3 1 10 PRO HA 5.990 . 5.990 4.349 4.103 4.673 . 0 0 "[ . 1 . 2]" 1
122 1 9 ASP HB3 1 29 GLU H 4.770 . 4.770 3.382 2.109 4.598 . 0 0 "[ . 1 . 2]" 1
123 1 9 ASP HB3 1 29 GLU HB2 5.500 . 5.500 3.128 1.969 4.476 . 0 0 "[ . 1 . 2]" 1
124 1 9 ASP HB3 1 29 GLU QB 4.750 . 4.750 2.407 1.563 3.419 . 0 0 "[ . 1 . 2]" 1
125 1 9 ASP HB3 1 29 GLU HB3 5.500 . 5.500 3.141 1.570 4.885 . 0 0 "[ . 1 . 2]" 1
126 1 10 PRO HA 1 11 ARG H 3.680 . 3.680 2.335 2.094 3.345 . 0 0 "[ . 1 . 2]" 1
127 1 10 PRO HA 1 12 GLU H 5.020 . 5.020 3.977 3.307 4.705 . 0 0 "[ . 1 . 2]" 1
128 1 10 PRO HA 1 14 VAL MG2 5.670 . 5.670 4.364 4.035 4.893 . 0 0 "[ . 1 . 2]" 1
129 1 10 PRO QB 1 11 ARG H 4.120 . 4.120 3.122 2.459 3.992 . 0 0 "[ . 1 . 2]" 1
130 1 10 PRO QB 1 12 GLU H 3.900 . 3.900 2.795 2.111 3.995 0.095 15 0 "[ . 1 . 2]" 1
131 1 10 PRO QB 1 14 VAL MG2 3.700 . 3.700 2.268 2.041 2.661 . 0 0 "[ . 1 . 2]" 1
132 1 10 PRO QB 1 85 ALA MB 6.100 . 6.100 3.977 2.951 4.943 . 0 0 "[ . 1 . 2]" 1
133 1 10 PRO HB2 1 14 VAL MG1 6.010 . 6.010 4.941 4.273 5.378 . 0 0 "[ . 1 . 2]" 1
134 1 10 PRO HB2 1 14 VAL MG2 4.280 . 4.280 2.520 2.262 2.767 . 0 0 "[ . 1 . 2]" 1
135 1 10 PRO HB3 1 14 VAL MG1 6.010 . 6.010 4.600 4.260 5.143 . 0 0 "[ . 1 . 2]" 1
136 1 10 PRO HB3 1 14 VAL MG2 4.280 . 4.280 2.644 2.229 3.454 . 0 0 "[ . 1 . 2]" 1
137 1 10 PRO HD2 1 28 CYS HA 4.670 . 4.670 2.890 1.928 3.570 . 0 0 "[ . 1 . 2]" 1
138 1 10 PRO HD2 1 28 CYS QB 4.950 . 4.950 3.355 2.732 4.022 . 0 0 "[ . 1 . 2]" 1
139 1 10 PRO HD2 1 85 ALA MB 4.150 . 4.150 2.549 1.980 3.482 . 0 0 "[ . 1 . 2]" 1
140 1 10 PRO HD2 1 87 PHE QE 6.300 . 6.300 3.952 3.291 4.658 . 0 0 "[ . 1 . 2]" 1
141 1 10 PRO HD3 1 28 CYS HA 4.210 . 4.210 2.335 1.802 2.635 . 0 0 "[ . 1 . 2]" 1
142 1 10 PRO HD3 1 28 CYS QB 5.070 . 5.070 3.486 2.685 4.205 . 0 0 "[ . 1 . 2]" 1
143 1 10 PRO HD3 1 29 GLU H 5.430 . 5.430 3.769 3.176 4.176 . 0 0 "[ . 1 . 2]" 1
144 1 10 PRO HD3 1 85 ALA MB 4.890 . 4.890 3.771 3.212 4.810 . 0 0 "[ . 1 . 2]" 1
145 1 10 PRO HD3 1 87 PHE QE 5.460 . 5.460 3.665 2.964 4.111 . 0 0 "[ . 1 . 2]" 1
146 1 10 PRO QG 1 14 VAL MG2 3.710 . 3.710 2.444 1.958 2.900 . 0 0 "[ . 1 . 2]" 1
147 1 10 PRO QG 1 28 CYS HA 6.100 . 6.100 4.097 3.493 4.583 . 0 0 "[ . 1 . 2]" 1
148 1 10 PRO QG 1 85 ALA MB 3.900 . 3.900 2.375 1.817 3.314 . 0 0 "[ . 1 . 2]" 1
149 1 10 PRO QG 1 86 TYR H 5.300 . 5.300 4.067 2.968 5.133 . 0 0 "[ . 1 . 2]" 1
150 1 10 PRO QG 1 87 PHE QE 5.430 . 5.430 2.712 2.176 3.157 . 0 0 "[ . 1 . 2]" 1
151 1 10 PRO HG2 1 14 VAL MG2 4.530 . 4.530 3.163 2.320 3.646 . 0 0 "[ . 1 . 2]" 1
152 1 10 PRO HG2 1 85 ALA MB 4.630 . 4.630 2.433 1.828 3.587 . 0 0 "[ . 1 . 2]" 1
153 1 10 PRO HG3 1 14 VAL MG2 4.530 . 4.530 2.567 2.110 3.097 . 0 0 "[ . 1 . 2]" 1
154 1 10 PRO HG3 1 85 ALA MB 4.630 . 4.630 3.478 2.862 4.552 . 0 0 "[ . 1 . 2]" 1
155 1 11 ARG H 1 11 ARG HG2 4.780 . 4.780 3.741 2.368 4.880 0.100 7 0 "[ . 1 . 2]" 1
156 1 11 ARG H 1 11 ARG QG 3.930 . 3.930 3.176 1.947 4.134 0.204 13 0 "[ . 1 . 2]" 1
157 1 11 ARG H 1 11 ARG HG3 4.780 . 4.780 3.786 1.958 4.953 0.173 15 0 "[ . 1 . 2]" 1
158 1 11 ARG H 1 12 GLU H 3.750 . 3.750 2.702 2.144 3.762 0.012 7 0 "[ . 1 . 2]" 1
159 1 11 ARG H 1 12 GLU QG 5.640 . 5.640 3.885 2.789 5.790 0.150 12 0 "[ . 1 . 2]" 1
160 1 11 ARG HA 1 11 ARG HD2 4.690 . 4.690 3.518 2.121 4.757 0.067 10 0 "[ . 1 . 2]" 1
161 1 11 ARG HA 1 11 ARG QD 4.120 . 4.120 3.106 2.020 4.215 0.095 7 0 "[ . 1 . 2]" 1
162 1 11 ARG HA 1 11 ARG HD3 4.690 . 4.690 3.852 2.044 4.950 0.260 6 0 "[ . 1 . 2]" 1
163 1 11 ARG HA 1 11 ARG HG2 4.210 . 4.210 3.154 2.393 4.269 0.059 6 0 "[ . 1 . 2]" 1
164 1 11 ARG HA 1 11 ARG HG3 4.210 . 4.210 3.325 2.464 3.869 . 0 0 "[ . 1 . 2]" 1
165 1 11 ARG QB 1 12 GLU H 4.530 . 4.530 3.313 2.139 4.079 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLU H 1 12 GLU QG 4.290 . 4.290 2.623 2.010 4.036 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLU H 1 14 VAL MG2 5.300 . 5.300 3.990 3.549 4.401 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLU HA 1 13 HIS H 3.610 . 3.610 2.626 2.282 3.614 0.004 18 0 "[ . 1 . 2]" 1
169 1 12 GLU QB 1 13 HIS H 3.950 . 3.950 2.216 1.915 3.544 . 0 0 "[ . 1 . 2]" 1
170 1 12 GLU HB2 1 13 HIS H 4.610 . 4.610 2.328 1.924 4.066 . 0 0 "[ . 1 . 2]" 1
171 1 12 GLU HB3 1 13 HIS H 4.610 . 4.610 3.566 2.022 3.976 . 0 0 "[ . 1 . 2]" 1
172 1 12 GLU QG 1 13 HIS H 4.940 . 4.940 3.217 2.539 3.771 . 0 0 "[ . 1 . 2]" 1
173 1 12 GLU QG 1 14 VAL MG2 5.240 . 5.240 3.124 2.012 5.549 0.309 18 0 "[ . 1 . 2]" 1
174 1 13 HIS H 1 13 HIS HB2 4.370 . 4.370 3.130 2.484 3.979 . 0 0 "[ . 1 . 2]" 1
175 1 13 HIS H 1 13 HIS QB 3.830 . 3.830 2.633 2.244 3.232 . 0 0 "[ . 1 . 2]" 1
176 1 13 HIS H 1 13 HIS HB3 4.370 . 4.370 3.169 2.510 3.735 . 0 0 "[ . 1 . 2]" 1
177 1 13 HIS HA 1 14 VAL H 3.530 . 3.530 2.199 2.141 2.259 . 0 0 "[ . 1 . 2]" 1
178 1 13 HIS HA 1 14 VAL MG2 5.110 . 5.110 3.707 3.438 3.962 . 0 0 "[ . 1 . 2]" 1
179 1 13 HIS HA 1 86 TYR HB2 5.040 . 5.040 2.853 2.033 3.991 . 0 0 "[ . 1 . 2]" 1
180 1 13 HIS HA 1 86 TYR QB 4.280 . 4.280 2.799 2.014 3.846 . 0 0 "[ . 1 . 2]" 1
181 1 13 HIS HA 1 86 TYR HB3 5.040 . 5.040 4.132 2.998 5.054 0.014 1 0 "[ . 1 . 2]" 1
182 1 13 HIS QB 1 14 VAL HA 6.100 . 6.100 4.639 4.407 4.924 . 0 0 "[ . 1 . 2]" 1
183 1 14 VAL H 1 14 VAL HB 3.900 . 3.900 2.579 2.504 2.708 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL H 1 14 VAL MG2 4.020 . 4.020 2.462 2.228 2.932 . 0 0 "[ . 1 . 2]" 1
185 1 14 VAL H 1 87 PHE HA 4.660 . 4.660 3.041 2.463 3.594 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL H 1 88 THR H 5.510 . 5.510 4.289 3.662 4.991 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL HA 1 15 PHE H 3.310 . 3.310 2.189 2.132 2.242 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL HA 1 15 PHE QB 6.300 . 6.300 4.350 4.071 4.517 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL HB 1 15 PHE HA 6.050 . 6.050 5.074 4.864 5.285 . 0 0 "[ . 1 . 2]" 1
190 1 14 VAL HB 1 87 PHE HA 4.590 . 4.590 2.986 2.012 3.797 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL HB 1 87 PHE QB 6.050 . 6.050 3.902 3.238 4.447 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL HB 1 87 PHE QD 3.940 . 3.940 2.475 2.063 3.389 . 0 0 "[ . 1 . 2]" 1
193 1 14 VAL HB 1 87 PHE QE 5.470 . 5.470 3.382 2.771 4.291 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL HB 1 88 THR H 5.850 . 5.850 4.321 3.594 4.963 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL MG1 1 15 PHE H 4.010 . 4.010 3.054 2.522 3.381 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL MG1 1 15 PHE HA 6.020 . 6.020 4.003 3.563 4.285 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL MG1 1 16 VAL H 5.570 . 5.570 4.026 3.671 4.521 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL MG1 1 16 VAL HB 5.920 . 5.920 4.581 4.216 4.891 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL MG1 1 16 VAL MG2 3.430 . 3.430 2.214 1.948 2.546 . 0 0 "[ . 1 . 2]" 1
200 1 14 VAL MG1 1 87 PHE HA 5.460 . 5.460 4.076 3.290 4.605 . 0 0 "[ . 1 . 2]" 1
201 1 14 VAL MG1 1 87 PHE QD 4.170 . 4.170 2.873 2.190 3.218 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL MG1 1 87 PHE QE 4.660 . 4.660 3.239 2.556 3.787 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL MG1 1 88 THR H 5.810 . 5.810 4.421 3.677 4.832 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL MG2 1 15 PHE H 4.960 . 4.960 4.205 3.998 4.349 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL MG2 1 87 PHE HA 6.220 . 6.220 4.262 3.586 4.858 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL MG2 1 87 PHE QD 5.240 . 5.240 3.583 3.088 4.155 . 0 0 "[ . 1 . 2]" 1
207 1 14 VAL MG2 1 87 PHE QE 4.830 . 4.830 3.025 2.688 3.359 . 0 0 "[ . 1 . 2]" 1
208 1 15 PHE H 1 15 PHE QD 4.560 . 4.560 3.169 2.056 4.323 . 0 0 "[ . 1 . 2]" 1
209 1 15 PHE H 1 16 VAL H 5.710 . 5.710 4.409 4.268 4.600 . 0 0 "[ . 1 . 2]" 1
210 1 15 PHE H 1 16 VAL MG2 5.350 . 5.350 4.382 4.092 4.817 . 0 0 "[ . 1 . 2]" 1
211 1 15 PHE HA 1 16 VAL H 3.490 . 3.490 2.177 2.127 2.260 . 0 0 "[ . 1 . 2]" 1
212 1 15 PHE HA 1 16 VAL HB 6.300 . 6.300 4.670 4.494 4.837 . 0 0 "[ . 1 . 2]" 1
213 1 15 PHE HA 1 16 VAL MG2 5.180 . 5.180 3.672 3.368 3.886 . 0 0 "[ . 1 . 2]" 1
214 1 15 PHE HA 1 88 THR H 4.140 . 4.140 2.864 2.557 3.506 . 0 0 "[ . 1 . 2]" 1
215 1 15 PHE HA 1 88 THR HB 4.240 . 4.240 2.725 2.391 4.022 . 0 0 "[ . 1 . 2]" 1
216 1 15 PHE QB 1 16 VAL H 4.860 . 4.860 3.607 3.416 3.937 . 0 0 "[ . 1 . 2]" 1
217 1 15 PHE QD 1 88 THR HB 4.250 . 4.250 2.524 2.098 3.480 . 0 0 "[ . 1 . 2]" 1
218 1 15 PHE QD 1 88 THR MG 4.400 . 4.400 2.825 2.394 3.797 . 0 0 "[ . 1 . 2]" 1
219 1 15 PHE QE 1 88 THR HB 5.230 . 5.230 3.749 2.995 4.583 . 0 0 "[ . 1 . 2]" 1
220 1 15 PHE QE 1 88 THR MG 5.520 . 5.520 3.001 2.377 4.731 . 0 0 "[ . 1 . 2]" 1
221 1 16 VAL H 1 16 VAL HB 3.980 . 3.980 2.628 2.496 2.771 . 0 0 "[ . 1 . 2]" 1
222 1 16 VAL H 1 16 VAL MG2 4.170 . 4.170 2.596 2.353 2.914 . 0 0 "[ . 1 . 2]" 1
223 1 16 VAL H 1 17 HIS H 5.820 . 5.820 4.348 4.163 4.594 . 0 0 "[ . 1 . 2]" 1
224 1 16 VAL H 1 88 THR HB 5.490 . 5.490 3.933 3.206 4.622 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL H 1 89 VAL HA 4.940 . 4.940 3.039 2.700 3.699 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL H 1 89 VAL MG2 5.760 . 5.760 3.779 3.474 4.624 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL H 1 90 THR H 5.350 . 5.350 4.011 3.505 4.571 . 0 0 "[ . 1 . 2]" 1
228 1 16 VAL HA 1 16 VAL MG1 3.750 . 3.750 2.462 2.379 2.503 . 0 0 "[ . 1 . 2]" 1
229 1 16 VAL HA 1 17 HIS H 3.430 . 3.430 2.230 2.185 2.282 . 0 0 "[ . 1 . 2]" 1
230 1 16 VAL HB 1 18 ALA MB 6.270 . 6.270 4.469 3.806 5.106 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL HB 1 26 LEU MD2 5.640 . 5.640 3.350 3.021 3.814 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL HB 1 87 PHE QB 6.100 . 6.100 4.461 3.847 5.205 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL HB 1 89 VAL HA 4.110 . 4.110 2.512 1.951 2.881 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL HB 1 89 VAL MG2 4.140 . 4.140 2.047 1.838 2.527 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL HB 1 90 THR H 5.780 . 5.780 4.147 3.469 4.414 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL MG1 1 17 HIS H 4.260 . 4.260 2.930 2.397 3.313 . 0 0 "[ . 1 . 2]" 1
237 1 16 VAL MG1 1 17 HIS HA 5.450 . 5.450 3.945 3.550 4.410 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL MG1 1 18 ALA H 5.050 . 5.050 4.024 3.516 4.912 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL MG1 1 18 ALA MB 4.260 . 4.260 2.875 2.316 3.274 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL MG1 1 26 LEU MD1 5.570 . 5.570 4.674 3.970 5.367 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL MG1 1 26 LEU MD2 4.190 . 4.190 2.887 2.437 3.505 . 0 0 "[ . 1 . 2]" 1
242 1 16 VAL MG1 1 87 PHE QB 6.000 . 6.000 5.084 4.339 5.838 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL MG1 1 89 VAL HA 4.880 . 4.880 3.626 2.911 3.967 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL MG2 1 26 LEU MD1 5.190 . 5.190 4.053 3.448 4.764 . 0 0 "[ . 1 . 2]" 1
245 1 16 VAL MG2 1 26 LEU MD2 3.710 . 3.710 2.079 1.719 2.529 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL MG2 1 87 PHE HA 6.300 . 6.300 4.079 3.423 4.603 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL MG2 1 87 PHE QB 5.020 . 5.020 3.221 2.426 4.059 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL MG2 1 87 PHE QD 4.200 . 4.200 2.969 2.108 3.460 . 0 0 "[ . 1 . 2]" 1
249 1 16 VAL MG2 1 87 PHE QE 4.900 . 4.900 4.363 2.555 4.922 0.022 15 0 "[ . 1 . 2]" 1
250 1 16 VAL MG2 1 88 THR H 5.860 . 5.860 3.789 3.048 4.445 . 0 0 "[ . 1 . 2]" 1
251 1 16 VAL MG2 1 89 VAL HA 5.250 . 5.250 3.977 3.584 4.304 . 0 0 "[ . 1 . 2]" 1
252 1 17 HIS HA 1 18 ALA H 3.440 . 3.440 2.189 2.149 2.259 . 0 0 "[ . 1 . 2]" 1
253 1 17 HIS HA 1 18 ALA MB 5.190 . 5.190 4.000 3.823 4.075 . 0 0 "[ . 1 . 2]" 1
254 1 17 HIS HA 1 89 VAL MG1 5.430 . 5.430 4.273 3.653 5.308 . 0 0 "[ . 1 . 2]" 1
255 1 17 HIS HA 1 90 THR H 4.510 . 4.510 3.045 2.494 3.830 . 0 0 "[ . 1 . 2]" 1
256 1 17 HIS HA 1 90 THR HB 5.000 . 5.000 3.323 2.175 4.669 . 0 0 "[ . 1 . 2]" 1
257 1 17 HIS HA 1 90 THR MG 5.580 . 5.580 4.319 3.759 4.679 . 0 0 "[ . 1 . 2]" 1
258 1 17 HIS HA 1 91 ILE HA 6.300 . 6.300 4.848 4.238 5.559 . 0 0 "[ . 1 . 2]" 1
259 1 17 HIS QB 1 90 THR HB 5.590 . 5.590 4.411 3.636 5.656 0.066 1 0 "[ . 1 . 2]" 1
260 1 17 HIS HB2 1 18 ALA H 5.510 . 5.510 4.315 4.098 4.445 . 0 0 "[ . 1 . 2]" 1
261 1 17 HIS HB3 1 18 ALA H 5.510 . 5.510 3.899 3.076 4.450 . 0 0 "[ . 1 . 2]" 1
262 1 17 HIS HD2 1 18 ALA H 5.740 . 5.740 4.378 3.045 5.708 . 0 0 "[ . 1 . 2]" 1
263 1 17 HIS HD2 1 90 THR HB 5.870 . 5.870 3.312 1.838 5.489 . 0 0 "[ . 1 . 2]" 1
264 1 17 HIS HD2 1 90 THR MG 5.270 . 5.270 3.617 2.733 5.346 0.076 5 0 "[ . 1 . 2]" 1
265 1 18 ALA H 1 19 ILE H 5.660 . 5.660 4.450 4.027 4.593 . 0 0 "[ . 1 . 2]" 1
266 1 18 ALA H 1 24 VAL MG1 6.300 . 6.300 5.930 5.295 6.339 0.039 1 0 "[ . 1 . 2]" 1
267 1 18 ALA H 1 89 VAL MG1 4.740 . 4.740 3.533 3.095 4.508 . 0 0 "[ . 1 . 2]" 1
268 1 18 ALA H 1 90 THR H 5.420 . 5.420 3.644 2.805 4.327 . 0 0 "[ . 1 . 2]" 1
269 1 18 ALA H 1 90 THR HA 5.680 . 5.680 5.007 4.638 5.398 . 0 0 "[ . 1 . 2]" 1
270 1 18 ALA H 1 90 THR MG 5.680 . 5.680 4.742 4.303 5.455 . 0 0 "[ . 1 . 2]" 1
271 1 18 ALA H 1 91 ILE HA 4.630 . 4.630 3.200 2.714 3.696 . 0 0 "[ . 1 . 2]" 1
272 1 18 ALA H 1 91 ILE MD 6.300 . 6.300 4.560 3.172 6.323 0.023 4 0 "[ . 1 . 2]" 1
273 1 18 ALA H 1 91 ILE QG 5.540 . 5.540 4.117 2.822 5.335 . 0 0 "[ . 1 . 2]" 1
274 1 18 ALA HA 1 19 ILE H 3.630 . 3.630 2.297 2.151 2.419 . 0 0 "[ . 1 . 2]" 1
275 1 18 ALA HA 1 19 ILE MD 5.870 . 5.870 4.644 2.962 5.280 . 0 0 "[ . 1 . 2]" 1
276 1 18 ALA HA 1 19 ILE QG 5.490 . 5.490 3.683 3.372 4.703 . 0 0 "[ . 1 . 2]" 1
277 1 18 ALA HA 1 24 VAL MG2 5.330 . 5.330 3.407 2.657 4.325 . 0 0 "[ . 1 . 2]" 1
278 1 18 ALA HA 1 68 THR MG 6.240 . 6.240 4.835 3.962 6.291 0.051 15 0 "[ . 1 . 2]" 1
279 1 18 ALA MB 1 19 ILE H 3.830 . 3.830 2.612 2.250 3.417 . 0 0 "[ . 1 . 2]" 1
280 1 18 ALA MB 1 19 ILE HA 5.320 . 5.320 4.093 3.926 4.393 . 0 0 "[ . 1 . 2]" 1
281 1 18 ALA MB 1 19 ILE HB 6.300 . 6.300 4.821 4.452 5.430 . 0 0 "[ . 1 . 2]" 1
282 1 18 ALA MB 1 20 THR H 6.300 . 6.300 5.194 3.523 5.398 . 0 0 "[ . 1 . 2]" 1
283 1 18 ALA MB 1 22 GLU H 6.300 . 6.300 4.701 3.775 5.679 . 0 0 "[ . 1 . 2]" 1
284 1 18 ALA MB 1 22 GLU HB2 5.930 . 5.930 3.732 2.087 5.487 . 0 0 "[ . 1 . 2]" 1
285 1 18 ALA MB 1 22 GLU QB 5.180 . 5.180 3.266 1.967 4.630 . 0 0 "[ . 1 . 2]" 1
286 1 18 ALA MB 1 22 GLU HB3 5.930 . 5.930 3.990 1.980 5.900 . 0 0 "[ . 1 . 2]" 1
287 1 18 ALA MB 1 24 VAL H 6.180 . 6.180 5.148 4.774 5.550 . 0 0 "[ . 1 . 2]" 1
288 1 18 ALA MB 1 24 VAL HB 6.300 . 6.300 4.191 3.827 4.558 . 0 0 "[ . 1 . 2]" 1
289 1 18 ALA MB 1 24 VAL MG1 4.440 . 4.440 3.479 2.981 4.036 . 0 0 "[ . 1 . 2]" 1
290 1 18 ALA MB 1 24 VAL MG2 3.600 . 3.600 2.035 1.851 2.263 . 0 0 "[ . 1 . 2]" 1
291 1 18 ALA MB 1 68 THR HB 5.680 . 5.680 3.092 2.077 4.033 . 0 0 "[ . 1 . 2]" 1
292 1 18 ALA MB 1 89 VAL MG1 3.820 . 3.820 2.210 1.925 2.978 . 0 0 "[ . 1 . 2]" 1
293 1 18 ALA MB 1 91 ILE HA 5.720 . 5.720 3.201 2.343 4.054 . 0 0 "[ . 1 . 2]" 1
294 1 18 ALA MB 1 91 ILE HB 5.290 . 5.290 4.807 4.364 5.389 0.099 8 0 "[ . 1 . 2]" 1
295 1 18 ALA MB 1 91 ILE MD 4.280 . 4.280 2.620 1.682 4.263 . 0 0 "[ . 1 . 2]" 1
296 1 18 ALA MB 1 91 ILE QG 4.420 . 4.420 2.622 1.663 3.978 . 0 0 "[ . 1 . 2]" 1
297 1 19 ILE H 1 19 ILE HB 4.180 . 4.180 2.648 2.428 2.841 . 0 0 "[ . 1 . 2]" 1
298 1 19 ILE H 1 19 ILE MD 5.200 . 5.200 3.776 1.816 4.343 . 0 0 "[ . 1 . 2]" 1
299 1 19 ILE H 1 19 ILE HG12 4.870 . 4.870 3.443 2.430 4.250 . 0 0 "[ . 1 . 2]" 1
300 1 19 ILE H 1 19 ILE QG 4.170 . 4.170 2.778 2.218 3.172 . 0 0 "[ . 1 . 2]" 1
301 1 19 ILE H 1 19 ILE HG13 4.870 . 4.870 3.431 2.242 4.339 . 0 0 "[ . 1 . 2]" 1
302 1 19 ILE H 1 22 GLU QB 5.020 . 5.020 2.442 1.890 3.274 . 0 0 "[ . 1 . 2]" 1
303 1 19 ILE H 1 24 VAL MG2 5.650 . 5.650 4.086 3.319 5.062 . 0 0 "[ . 1 . 2]" 1
304 1 19 ILE H 1 91 ILE MD 6.180 . 6.180 4.863 3.947 6.033 . 0 0 "[ . 1 . 2]" 1
305 1 19 ILE H 1 91 ILE MG 5.990 . 5.990 4.303 3.780 4.961 . 0 0 "[ . 1 . 2]" 1
306 1 19 ILE HA 1 19 ILE MD 4.450 . 4.450 3.122 2.107 3.956 . 0 0 "[ . 1 . 2]" 1
307 1 19 ILE HA 1 20 THR H 3.380 . 3.380 2.402 2.265 2.552 . 0 0 "[ . 1 . 2]" 1
308 1 19 ILE HB 1 20 THR H 4.250 . 4.250 3.831 3.452 4.464 0.214 8 0 "[ . 1 . 2]" 1
309 1 19 ILE HB 1 22 GLU H 5.290 . 5.290 3.799 3.063 4.661 . 0 0 "[ . 1 . 2]" 1
310 1 19 ILE HB 1 22 GLU QB 4.700 . 4.700 2.892 1.836 4.271 . 0 0 "[ . 1 . 2]" 1
311 1 19 ILE MD 1 20 THR H 5.680 . 5.680 4.379 3.633 4.998 . 0 0 "[ . 1 . 2]" 1
312 1 19 ILE MD 1 22 GLU QB 6.090 . 6.090 4.489 3.524 5.479 . 0 0 "[ . 1 . 2]" 1
313 1 19 ILE MD 1 22 GLU QG 4.940 . 4.940 3.525 2.312 4.741 . 0 0 "[ . 1 . 2]" 1
314 1 19 ILE QG 1 20 THR H 5.280 . 5.280 4.337 3.945 4.698 . 0 0 "[ . 1 . 2]" 1
315 1 19 ILE QG 1 22 GLU QB 5.110 . 5.110 4.054 3.370 5.179 0.069 8 0 "[ . 1 . 2]" 1
316 1 19 ILE QG 1 22 GLU QG 4.910 . 4.910 3.248 2.519 4.905 . 0 0 "[ . 1 . 2]" 1
317 1 19 ILE MG 1 20 THR H 4.070 . 4.070 2.228 1.846 3.853 . 0 0 "[ . 1 . 2]" 1
318 1 19 ILE MG 1 20 THR HA 5.800 . 5.800 4.120 3.961 5.038 . 0 0 "[ . 1 . 2]" 1
319 1 19 ILE MG 1 20 THR HB 5.320 . 5.320 4.397 3.546 4.787 . 0 0 "[ . 1 . 2]" 1
320 1 19 ILE MG 1 20 THR MG 4.760 . 4.760 3.650 3.038 4.752 . 0 0 "[ . 1 . 2]" 1
321 1 19 ILE MG 1 22 GLU H 5.870 . 5.870 3.965 2.861 4.774 . 0 0 "[ . 1 . 2]" 1
322 1 19 ILE MG 1 22 GLU QB 5.190 . 5.190 3.972 2.629 5.158 . 0 0 "[ . 1 . 2]" 1
323 1 19 ILE MG 1 22 GLU HG2 5.190 . 5.190 3.878 2.540 5.195 0.005 15 0 "[ . 1 . 2]" 1
324 1 19 ILE MG 1 22 GLU QG 4.470 . 4.470 3.448 2.482 4.386 . 0 0 "[ . 1 . 2]" 1
325 1 19 ILE MG 1 22 GLU HG3 5.190 . 5.190 4.122 3.302 5.297 0.107 17 0 "[ . 1 . 2]" 1
326 1 20 THR H 1 20 THR HB 3.960 . 3.960 3.593 2.593 3.679 . 0 0 "[ . 1 . 2]" 1
327 1 20 THR H 1 20 THR MG 4.580 . 4.580 2.362 2.007 4.043 . 0 0 "[ . 1 . 2]" 1
328 1 20 THR H 1 21 SER H 5.420 . 5.420 3.744 2.798 4.650 . 0 0 "[ . 1 . 2]" 1
329 1 20 THR H 1 91 ILE MG 4.940 . 4.940 2.944 2.136 3.380 . 0 0 "[ . 1 . 2]" 1
330 1 20 THR HA 1 68 THR H 6.290 . 6.290 4.850 3.601 6.122 . 0 0 "[ . 1 . 2]" 1
331 1 20 THR HA 1 68 THR MG 5.900 . 5.900 4.603 3.349 5.697 . 0 0 "[ . 1 . 2]" 1
332 1 20 THR HA 1 70 PRO QG 6.100 . 6.100 5.113 3.566 6.186 0.086 5 0 "[ . 1 . 2]" 1
333 1 20 THR HA 1 91 ILE MD 4.590 . 4.590 3.825 3.007 4.628 0.038 19 0 "[ . 1 . 2]" 1
334 1 20 THR HA 1 91 ILE MG 4.810 . 4.810 3.228 2.398 4.262 . 0 0 "[ . 1 . 2]" 1
335 1 20 THR HB 1 21 SER H 4.660 . 4.660 3.494 2.075 4.456 . 0 0 "[ . 1 . 2]" 1
336 1 20 THR HB 1 21 SER HA 5.170 . 5.170 4.762 4.369 5.145 . 0 0 "[ . 1 . 2]" 1
337 1 20 THR HB 1 91 ILE MG 5.720 . 5.720 4.522 3.782 5.582 . 0 0 "[ . 1 . 2]" 1
338 1 20 THR MG 1 21 SER H 4.660 . 4.660 3.977 2.928 4.451 . 0 0 "[ . 1 . 2]" 1
339 1 20 THR MG 1 69 GLN HA 4.660 . 4.660 3.348 1.913 4.687 0.027 9 0 "[ . 1 . 2]" 1
340 1 20 THR MG 1 70 PRO HA 5.180 . 5.180 3.991 2.933 5.236 0.056 8 0 "[ . 1 . 2]" 1
341 1 20 THR MG 1 70 PRO QD 4.970 . 4.970 2.278 1.714 3.787 . 0 0 "[ . 1 . 2]" 1
342 1 20 THR MG 1 70 PRO HG2 5.780 . 5.780 4.062 3.127 5.550 . 0 0 "[ . 1 . 2]" 1
343 1 20 THR MG 1 70 PRO QG 4.870 . 4.870 2.980 1.820 4.577 . 0 0 "[ . 1 . 2]" 1
344 1 20 THR MG 1 70 PRO HG3 5.780 . 5.780 3.097 1.830 4.874 . 0 0 "[ . 1 . 2]" 1
345 1 20 THR MG 1 91 ILE MG 5.170 . 5.170 2.554 2.017 3.808 . 0 0 "[ . 1 . 2]" 1
346 1 21 SER H 1 22 GLU H 4.290 . 4.290 2.610 2.131 2.775 . 0 0 "[ . 1 . 2]" 1
347 1 21 SER H 1 68 THR HB 6.300 . 6.300 4.775 2.555 6.342 0.042 8 0 "[ . 1 . 2]" 1
348 1 21 SER HA 1 67 ALA HA 5.060 . 5.060 3.454 2.291 5.024 . 0 0 "[ . 1 . 2]" 1
349 1 21 SER HA 1 67 ALA MB 4.420 . 4.420 3.232 1.999 4.458 0.038 18 0 "[ . 1 . 2]" 1
350 1 21 SER HA 1 68 THR H 6.300 . 6.300 4.066 2.366 5.681 . 0 0 "[ . 1 . 2]" 1
351 1 22 GLU H 1 22 GLU QB 3.600 . 3.600 2.384 2.191 2.563 . 0 0 "[ . 1 . 2]" 1
352 1 22 GLU H 1 22 GLU QG 4.840 . 4.840 3.200 2.312 4.122 . 0 0 "[ . 1 . 2]" 1
353 1 22 GLU H 1 23 CYS H 5.280 . 5.280 4.594 4.513 4.682 . 0 0 "[ . 1 . 2]" 1
354 1 22 GLU H 1 68 THR HB 5.060 . 5.060 3.760 2.367 4.657 . 0 0 "[ . 1 . 2]" 1
355 1 22 GLU H 1 68 THR MG 6.300 . 6.300 5.052 3.929 5.959 . 0 0 "[ . 1 . 2]" 1
356 1 22 GLU HA 1 22 GLU QG 3.920 . 3.920 2.724 2.399 3.046 . 0 0 "[ . 1 . 2]" 1
357 1 22 GLU HA 1 23 CYS H 3.620 . 3.620 2.330 2.131 2.612 . 0 0 "[ . 1 . 2]" 1
358 1 22 GLU QB 1 23 CYS H 4.170 . 4.170 2.881 2.095 3.698 . 0 0 "[ . 1 . 2]" 1
359 1 22 GLU QB 1 24 VAL MG2 5.260 . 5.260 3.255 2.283 4.176 . 0 0 "[ . 1 . 2]" 1
360 1 22 GLU HB2 1 23 CYS H 4.990 . 4.990 3.973 3.324 4.413 . 0 0 "[ . 1 . 2]" 1
361 1 22 GLU HB3 1 23 CYS H 4.990 . 4.990 2.981 2.118 3.970 . 0 0 "[ . 1 . 2]" 1
362 1 22 GLU QG 1 23 CYS H 5.250 . 5.250 3.844 1.938 4.680 . 0 0 "[ . 1 . 2]" 1
363 1 23 CYS H 1 23 CYS HB2 4.340 . 4.340 3.224 2.515 3.771 . 0 0 "[ . 1 . 2]" 1
364 1 23 CYS H 1 23 CYS QB 3.700 . 3.700 2.654 2.476 3.001 . 0 0 "[ . 1 . 2]" 1
365 1 23 CYS H 1 23 CYS HB3 4.340 . 4.340 3.184 2.615 3.735 . 0 0 "[ . 1 . 2]" 1
366 1 23 CYS H 1 24 VAL MG2 5.670 . 5.670 4.425 3.893 4.968 . 0 0 "[ . 1 . 2]" 1
367 1 23 CYS HA 1 24 VAL H 3.500 . 3.500 2.189 2.148 2.245 . 0 0 "[ . 1 . 2]" 1
368 1 23 CYS HA 1 24 VAL HA 5.100 . 5.100 4.498 4.476 4.525 . 0 0 "[ . 1 . 2]" 1
369 1 23 CYS HA 1 66 PRO HA 4.680 . 4.680 3.322 2.597 4.170 . 0 0 "[ . 1 . 2]" 1
370 1 23 CYS HA 1 67 ALA H 5.800 . 5.800 4.779 4.276 5.440 . 0 0 "[ . 1 . 2]" 1
371 1 23 CYS HA 1 68 THR MG 5.670 . 5.670 5.296 3.354 5.811 0.141 9 0 "[ . 1 . 2]" 1
372 1 23 CYS QB 1 24 VAL H 4.270 . 4.270 3.418 3.134 3.754 . 0 0 "[ . 1 . 2]" 1
373 1 23 CYS QB 1 24 VAL HA 5.630 . 5.630 4.557 4.167 4.800 . 0 0 "[ . 1 . 2]" 1
374 1 23 CYS QB 1 66 PRO HA 4.910 . 4.910 2.967 2.281 3.876 . 0 0 "[ . 1 . 2]" 1
375 1 23 CYS HB2 1 24 VAL H 4.920 . 4.920 3.866 3.237 4.528 . 0 0 "[ . 1 . 2]" 1
376 1 23 CYS HB3 1 24 VAL H 4.920 . 4.920 4.066 3.297 4.458 . 0 0 "[ . 1 . 2]" 1
377 1 24 VAL H 1 24 VAL HB 4.140 . 4.140 2.576 2.494 2.703 . 0 0 "[ . 1 . 2]" 1
378 1 24 VAL H 1 24 VAL MG2 4.730 . 4.730 2.696 2.514 2.991 . 0 0 "[ . 1 . 2]" 1
379 1 24 VAL H 1 65 LEU H 4.850 . 4.850 3.439 3.031 3.943 . 0 0 "[ . 1 . 2]" 1
380 1 24 VAL H 1 65 LEU HB2 5.280 . 5.280 3.819 2.767 4.618 . 0 0 "[ . 1 . 2]" 1
381 1 24 VAL H 1 65 LEU QB 4.540 . 4.540 2.723 2.361 3.055 . 0 0 "[ . 1 . 2]" 1
382 1 24 VAL H 1 65 LEU HB3 5.280 . 5.280 2.815 2.394 3.193 . 0 0 "[ . 1 . 2]" 1
383 1 24 VAL H 1 65 LEU MD1 5.670 . 5.670 4.385 2.858 4.973 . 0 0 "[ . 1 . 2]" 1
384 1 24 VAL H 1 66 PRO HA 5.740 . 5.740 4.672 4.129 5.467 . 0 0 "[ . 1 . 2]" 1
385 1 24 VAL H 1 66 PRO QD 5.880 . 5.880 5.385 5.100 5.646 . 0 0 "[ . 1 . 2]" 1
386 1 24 VAL H 1 68 THR H 5.340 . 5.340 4.470 3.965 4.982 . 0 0 "[ . 1 . 2]" 1
387 1 24 VAL H 1 68 THR MG 5.480 . 5.480 4.317 2.718 4.910 . 0 0 "[ . 1 . 2]" 1
388 1 24 VAL HA 1 25 MET H 3.240 . 3.240 2.193 2.118 2.287 . 0 0 "[ . 1 . 2]" 1
389 1 24 VAL HB 1 25 MET HA 6.300 . 6.300 4.971 4.617 5.151 . 0 0 "[ . 1 . 2]" 1
390 1 24 VAL HB 1 65 LEU MD1 5.110 . 5.110 4.709 3.088 5.272 0.162 3 0 "[ . 1 . 2]" 1
391 1 24 VAL HB 1 68 THR HA 5.810 . 5.810 5.040 4.140 5.432 . 0 0 "[ . 1 . 2]" 1
392 1 24 VAL HB 1 68 THR MG 4.600 . 4.600 3.193 2.143 3.843 . 0 0 "[ . 1 . 2]" 1
393 1 24 VAL MG1 1 25 MET H 4.110 . 4.110 2.919 2.452 3.293 . 0 0 "[ . 1 . 2]" 1
394 1 24 VAL MG1 1 25 MET HA 4.800 . 4.800 3.715 3.295 3.893 . 0 0 "[ . 1 . 2]" 1
395 1 24 VAL MG1 1 26 LEU H 5.310 . 5.310 3.284 3.024 3.770 . 0 0 "[ . 1 . 2]" 1
396 1 24 VAL MG1 1 26 LEU MD1 4.910 . 4.910 3.262 2.784 3.757 . 0 0 "[ . 1 . 2]" 1
397 1 24 VAL MG1 1 26 LEU MD2 3.540 . 3.540 2.322 2.174 2.508 . 0 0 "[ . 1 . 2]" 1
398 1 24 VAL MG1 1 63 LEU MD2 4.580 . 4.580 4.021 3.266 4.505 . 0 0 "[ . 1 . 2]" 1
399 1 24 VAL MG1 1 65 LEU H 4.970 . 4.970 4.475 4.108 4.967 . 0 0 "[ . 1 . 2]" 1
400 1 24 VAL MG1 1 76 PHE QD 6.300 . 6.300 5.306 4.842 5.966 . 0 0 "[ . 1 . 2]" 1
401 1 24 VAL MG2 1 25 MET H 4.800 . 4.800 4.112 3.924 4.253 . 0 0 "[ . 1 . 2]" 1
402 1 24 VAL MG2 1 68 THR HB 5.410 . 5.410 3.216 2.589 3.978 . 0 0 "[ . 1 . 2]" 1
403 1 24 VAL MG2 1 68 THR MG 3.720 . 3.720 2.347 2.069 2.983 . 0 0 "[ . 1 . 2]" 1
404 1 25 MET H 1 25 MET QB 3.790 . 3.790 2.513 2.358 2.673 . 0 0 "[ . 1 . 2]" 1
405 1 25 MET H 1 25 MET QG 5.030 . 5.030 3.634 2.650 4.168 . 0 0 "[ . 1 . 2]" 1
406 1 25 MET HA 1 26 LEU H 3.450 . 3.450 2.200 2.143 2.259 . 0 0 "[ . 1 . 2]" 1
407 1 25 MET HA 1 26 LEU HG 5.640 . 5.640 4.105 3.831 4.366 . 0 0 "[ . 1 . 2]" 1
408 1 25 MET HA 1 64 VAL HA 4.070 . 4.070 2.375 2.219 2.598 . 0 0 "[ . 1 . 2]" 1
409 1 25 MET HA 1 64 VAL MG2 5.160 . 5.160 3.327 2.778 3.918 . 0 0 "[ . 1 . 2]" 1
410 1 25 MET HA 1 65 LEU H 4.800 . 4.800 3.381 2.674 3.888 . 0 0 "[ . 1 . 2]" 1
411 1 25 MET QB 1 26 LEU H 5.260 . 5.260 3.867 3.370 4.058 . 0 0 "[ . 1 . 2]" 1
412 1 25 MET QB 1 64 VAL HA 4.970 . 4.970 3.677 3.238 4.213 . 0 0 "[ . 1 . 2]" 1
413 1 25 MET ME 1 25 MET QG 3.490 . 3.490 2.411 2.254 2.527 . 0 0 "[ . 1 . 2]" 1
414 1 25 MET ME 1 62 ARG HD2 5.250 . 5.250 3.498 2.160 5.318 0.068 13 0 "[ . 1 . 2]" 1
415 1 25 MET ME 1 62 ARG QD 4.390 . 4.390 2.788 1.935 4.405 0.015 13 0 "[ . 1 . 2]" 1
416 1 25 MET ME 1 62 ARG HD3 5.250 . 5.250 3.132 1.988 4.700 . 0 0 "[ . 1 . 2]" 1
417 1 25 MET ME 1 64 VAL MG2 3.970 . 3.970 2.295 1.842 4.041 0.071 12 0 "[ . 1 . 2]" 1
418 1 25 MET QG 1 26 LEU H 4.710 . 4.710 3.860 3.275 4.498 . 0 0 "[ . 1 . 2]" 1
419 1 25 MET QG 1 62 ARG QB 5.890 . 5.890 3.548 2.222 5.238 . 0 0 "[ . 1 . 2]" 1
420 1 25 MET QG 1 62 ARG QD 4.850 . 4.850 3.617 2.213 4.900 0.050 10 0 "[ . 1 . 2]" 1
421 1 25 MET QG 1 62 ARG QG 5.900 . 5.900 4.529 2.985 6.005 0.105 10 0 "[ . 1 . 2]" 1
422 1 25 MET HG2 1 26 LEU H 5.470 . 5.470 4.274 3.588 5.516 0.046 12 0 "[ . 1 . 2]" 1
423 1 25 MET HG2 1 64 VAL MG2 4.340 . 4.340 2.930 1.902 3.657 . 0 0 "[ . 1 . 2]" 1
424 1 25 MET HG3 1 26 LEU H 5.470 . 5.470 4.440 3.719 5.317 . 0 0 "[ . 1 . 2]" 1
425 1 25 MET HG3 1 64 VAL MG2 4.340 . 4.340 2.554 1.702 4.266 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU H 1 26 LEU MD2 5.320 . 5.320 3.355 3.202 3.590 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU H 1 26 LEU HG 4.280 . 4.280 2.347 2.156 2.721 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU H 1 62 ARG QB 5.840 . 5.840 4.549 4.004 5.218 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU H 1 63 LEU H 4.580 . 4.580 3.717 3.242 4.204 . 0 0 "[ . 1 . 2]" 1
430 1 26 LEU H 1 63 LEU QB 5.680 . 5.680 3.192 2.886 3.760 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU H 1 63 LEU MD2 5.610 . 5.610 3.580 2.686 4.108 . 0 0 "[ . 1 . 2]" 1
432 1 26 LEU H 1 64 VAL HA 5.390 . 5.390 3.709 3.313 4.066 . 0 0 "[ . 1 . 2]" 1
433 1 26 LEU HA 1 26 LEU MD2 3.750 . 3.750 2.154 2.038 2.245 . 0 0 "[ . 1 . 2]" 1
434 1 26 LEU HA 1 27 ALA H 3.430 . 3.430 2.258 2.163 2.386 . 0 0 "[ . 1 . 2]" 1
435 1 26 LEU HA 1 27 ALA MB 5.310 . 5.310 4.038 3.831 4.163 . 0 0 "[ . 1 . 2]" 1
436 1 26 LEU HB2 1 27 ALA H 5.820 . 5.820 4.239 3.742 4.451 . 0 0 "[ . 1 . 2]" 1
437 1 26 LEU HB2 1 39 TRP HH2 4.880 . 4.880 3.133 2.739 3.568 . 0 0 "[ . 1 . 2]" 1
438 1 26 LEU HB2 1 63 LEU H 4.960 . 4.960 2.995 2.569 3.325 . 0 0 "[ . 1 . 2]" 1
439 1 26 LEU HB2 1 63 LEU QB 4.450 . 4.450 2.035 1.721 2.580 . 0 0 "[ . 1 . 2]" 1
440 1 26 LEU HB3 1 27 ALA H 4.970 . 4.970 3.502 2.691 3.921 . 0 0 "[ . 1 . 2]" 1
441 1 26 LEU HB3 1 39 TRP HH2 4.830 . 4.830 2.820 2.335 3.617 . 0 0 "[ . 1 . 2]" 1
442 1 26 LEU HB3 1 63 LEU H 5.860 . 5.860 4.262 4.012 4.566 . 0 0 "[ . 1 . 2]" 1
443 1 26 LEU MD1 1 39 TRP HH2 4.330 . 4.330 4.112 3.720 4.400 0.070 16 0 "[ . 1 . 2]" 1
444 1 26 LEU MD1 1 39 TRP HZ3 5.060 . 5.060 2.774 2.319 3.307 . 0 0 "[ . 1 . 2]" 1
445 1 26 LEU MD1 1 63 LEU MD2 3.910 . 3.910 2.514 1.714 3.467 . 0 0 "[ . 1 . 2]" 1
446 1 26 LEU MD1 1 76 PHE HB2 4.790 . 4.790 2.596 2.140 3.027 . 0 0 "[ . 1 . 2]" 1
447 1 26 LEU MD1 1 76 PHE HB3 4.790 . 4.790 3.002 2.408 3.498 . 0 0 "[ . 1 . 2]" 1
448 1 26 LEU MD1 1 76 PHE QD 4.450 . 4.450 2.806 2.464 2.991 . 0 0 "[ . 1 . 2]" 1
449 1 26 LEU MD1 1 76 PHE QE 5.300 . 5.300 3.344 2.929 3.669 . 0 0 "[ . 1 . 2]" 1
450 1 26 LEU MD1 1 87 PHE HB2 4.940 . 4.940 2.866 2.290 3.644 . 0 0 "[ . 1 . 2]" 1
451 1 26 LEU MD1 1 87 PHE QB 4.300 . 4.300 2.620 2.197 3.444 . 0 0 "[ . 1 . 2]" 1
452 1 26 LEU MD1 1 87 PHE HB3 4.940 . 4.940 3.096 2.357 4.241 . 0 0 "[ . 1 . 2]" 1
453 1 26 LEU MD1 1 87 PHE QD 4.550 . 4.550 3.344 2.860 3.955 . 0 0 "[ . 1 . 2]" 1
454 1 26 LEU MD1 1 89 VAL MG1 5.380 . 5.380 4.314 3.447 5.165 . 0 0 "[ . 1 . 2]" 1
455 1 26 LEU MD1 1 89 VAL MG2 4.040 . 4.040 2.500 1.912 3.151 . 0 0 "[ . 1 . 2]" 1
456 1 26 LEU MD2 1 27 ALA H 5.130 . 5.130 3.913 3.473 4.131 . 0 0 "[ . 1 . 2]" 1
457 1 26 LEU MD2 1 39 TRP HH2 5.740 . 5.740 4.779 4.282 5.486 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU MD2 1 87 PHE HB2 5.040 . 5.040 3.474 2.717 4.340 . 0 0 "[ . 1 . 2]" 1
459 1 26 LEU MD2 1 87 PHE QB 4.300 . 4.300 2.481 1.930 3.166 . 0 0 "[ . 1 . 2]" 1
460 1 26 LEU MD2 1 87 PHE HB3 5.040 . 5.040 2.548 1.954 3.253 . 0 0 "[ . 1 . 2]" 1
461 1 26 LEU MD2 1 87 PHE QD 4.190 . 4.190 2.442 1.927 3.115 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU MD2 1 87 PHE QE 5.340 . 5.340 3.584 2.840 4.335 . 0 0 "[ . 1 . 2]" 1
463 1 26 LEU MD2 1 89 VAL MG1 4.680 . 4.680 3.987 3.337 4.525 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU MD2 1 89 VAL MG2 3.480 . 3.480 2.336 2.085 2.920 . 0 0 "[ . 1 . 2]" 1
465 1 26 LEU HG 1 63 LEU QB 5.430 . 5.430 3.469 3.125 4.285 . 0 0 "[ . 1 . 2]" 1
466 1 26 LEU HG 1 63 LEU MD2 5.070 . 5.070 3.218 2.316 4.186 . 0 0 "[ . 1 . 2]" 1
467 1 27 ALA H 1 28 CYS H 5.740 . 5.740 4.425 4.210 4.574 . 0 0 "[ . 1 . 2]" 1
468 1 27 ALA H 1 87 PHE QD 6.300 . 6.300 4.794 3.784 5.432 . 0 0 "[ . 1 . 2]" 1
469 1 27 ALA H 1 87 PHE QE 4.700 . 4.700 3.310 2.032 4.167 . 0 0 "[ . 1 . 2]" 1
470 1 27 ALA HA 1 28 CYS H 3.380 . 3.380 2.182 2.132 2.237 . 0 0 "[ . 1 . 2]" 1
471 1 27 ALA HA 1 62 ARG HA 4.210 . 4.210 2.593 2.004 3.543 . 0 0 "[ . 1 . 2]" 1
472 1 27 ALA HA 1 62 ARG QB 5.470 . 5.470 2.660 1.941 4.214 . 0 0 "[ . 1 . 2]" 1
473 1 27 ALA HA 1 62 ARG HG2 5.600 . 5.600 4.159 1.991 5.146 . 0 0 "[ . 1 . 2]" 1
474 1 27 ALA HA 1 62 ARG QG 4.710 . 4.710 3.865 1.981 4.760 0.050 6 0 "[ . 1 . 2]" 1
475 1 27 ALA HA 1 62 ARG HG3 5.600 . 5.600 4.788 3.545 5.609 0.009 6 0 "[ . 1 . 2]" 1
476 1 27 ALA HA 1 63 LEU H 5.500 . 5.500 3.821 3.310 4.520 . 0 0 "[ . 1 . 2]" 1
477 1 27 ALA MB 1 28 CYS H 4.160 . 4.160 3.085 2.776 3.448 . 0 0 "[ . 1 . 2]" 1
478 1 27 ALA MB 1 28 CYS HA 5.940 . 5.940 4.071 3.893 4.248 . 0 0 "[ . 1 . 2]" 1
479 1 27 ALA MB 1 28 CYS QB 5.680 . 5.680 4.671 4.475 5.063 . 0 0 "[ . 1 . 2]" 1
480 1 27 ALA MB 1 62 ARG HA 5.270 . 5.270 4.049 3.293 5.012 . 0 0 "[ . 1 . 2]" 1
481 1 27 ALA MB 1 62 ARG QD 5.120 . 5.120 3.777 2.368 4.879 . 0 0 "[ . 1 . 2]" 1
482 1 28 CYS H 1 29 GLU H 4.510 . 4.510 4.188 3.895 4.443 . 0 0 "[ . 1 . 2]" 1
483 1 28 CYS H 1 39 TRP HZ2 5.090 . 5.090 3.234 2.307 4.297 . 0 0 "[ . 1 . 2]" 1
484 1 28 CYS H 1 61 ARG QB 5.280 . 5.280 3.900 3.013 5.192 . 0 0 "[ . 1 . 2]" 1
485 1 28 CYS H 1 62 ARG HA 4.950 . 4.950 3.111 2.113 3.684 . 0 0 "[ . 1 . 2]" 1
486 1 28 CYS H 1 62 ARG QG 5.380 . 5.380 4.488 1.878 5.376 . 0 0 "[ . 1 . 2]" 1
487 1 28 CYS HA 1 29 GLU H 3.570 . 3.570 2.188 2.137 2.278 . 0 0 "[ . 1 . 2]" 1
488 1 28 CYS HA 1 29 GLU QB 6.100 . 6.100 4.185 3.793 4.530 . 0 0 "[ . 1 . 2]" 1
489 1 28 CYS HA 1 85 ALA MB 5.820 . 5.820 4.392 3.843 5.200 . 0 0 "[ . 1 . 2]" 1
490 1 28 CYS QB 1 29 GLU H 4.250 . 4.250 3.675 2.789 3.932 . 0 0 "[ . 1 . 2]" 1
491 1 28 CYS QB 1 30 VAL MG1 5.220 . 5.220 4.471 3.325 5.135 . 0 0 "[ . 1 . 2]" 1
492 1 28 CYS QB 1 39 TRP HH2 5.920 . 5.920 3.043 2.484 3.928 . 0 0 "[ . 1 . 2]" 1
493 1 28 CYS QB 1 39 TRP HZ2 4.960 . 4.960 2.816 1.979 3.708 . 0 0 "[ . 1 . 2]" 1
494 1 28 CYS QB 1 39 TRP HZ3 5.830 . 5.830 4.524 3.885 5.368 . 0 0 "[ . 1 . 2]" 1
495 1 28 CYS QB 1 61 ARG QB 4.490 . 4.490 3.038 2.585 3.803 . 0 0 "[ . 1 . 2]" 1
496 1 28 CYS QB 1 78 CYS QB 6.040 . 6.040 3.092 2.572 3.618 . 0 0 "[ . 1 . 2]" 1
497 1 28 CYS QB 1 85 ALA MB 5.020 . 5.020 3.397 2.688 4.122 . 0 0 "[ . 1 . 2]" 1
498 1 29 GLU H 1 29 GLU QB 3.850 . 3.850 2.547 2.366 2.771 . 0 0 "[ . 1 . 2]" 1
499 1 29 GLU H 1 30 VAL MG1 5.940 . 5.940 4.544 4.052 5.286 . 0 0 "[ . 1 . 2]" 1
500 1 29 GLU HA 1 30 VAL H 3.460 . 3.460 2.179 2.116 2.270 . 0 0 "[ . 1 . 2]" 1
501 1 29 GLU HA 1 30 VAL MG1 5.890 . 5.890 3.707 3.455 3.985 . 0 0 "[ . 1 . 2]" 1
502 1 29 GLU HA 1 30 VAL MG2 5.260 . 5.260 3.607 3.385 3.911 . 0 0 "[ . 1 . 2]" 1
503 1 29 GLU HA 1 60 HIS HA 4.130 . 4.130 2.928 2.427 3.598 . 0 0 "[ . 1 . 2]" 1
504 1 29 GLU HA 1 61 ARG H 5.440 . 5.440 3.103 2.426 3.587 . 0 0 "[ . 1 . 2]" 1
505 1 29 GLU QB 1 61 ARG H 6.100 . 6.100 4.298 3.596 5.121 . 0 0 "[ . 1 . 2]" 1
506 1 29 GLU QG 1 30 VAL H 4.190 . 4.190 3.307 2.328 4.112 . 0 0 "[ . 1 . 2]" 1
507 1 29 GLU QG 1 59 PRO QB 4.450 . 4.450 3.197 1.764 4.483 0.033 10 0 "[ . 1 . 2]" 1
508 1 29 GLU QG 1 60 HIS H 5.290 . 5.290 4.052 3.439 4.868 . 0 0 "[ . 1 . 2]" 1
509 1 29 GLU QG 1 60 HIS HA 5.100 . 5.100 2.451 1.583 3.548 . 0 0 "[ . 1 . 2]" 1
510 1 29 GLU QG 1 60 HIS HB2 5.640 . 5.640 4.666 4.142 5.297 . 0 0 "[ . 1 . 2]" 1
511 1 29 GLU QG 1 60 HIS HB3 5.600 . 5.600 4.099 3.077 5.142 . 0 0 "[ . 1 . 2]" 1
512 1 29 GLU QG 1 60 HIS HD2 4.810 . 4.810 4.123 2.679 4.956 0.146 11 0 "[ . 1 . 2]" 1
513 1 29 GLU QG 1 61 ARG H 6.100 . 6.100 3.806 2.029 5.174 . 0 0 "[ . 1 . 2]" 1
514 1 29 GLU HG2 1 30 VAL MG2 5.940 . 5.940 4.781 4.004 5.733 . 0 0 "[ . 1 . 2]" 1
515 1 29 GLU HG3 1 30 VAL MG2 5.940 . 5.940 5.212 3.948 6.110 0.170 10 0 "[ . 1 . 2]" 1
516 1 30 VAL H 1 30 VAL MG1 4.470 . 4.470 2.760 2.336 3.111 . 0 0 "[ . 1 . 2]" 1
517 1 30 VAL H 1 30 VAL MG2 3.630 . 3.630 2.014 1.886 2.161 . 0 0 "[ . 1 . 2]" 1
518 1 30 VAL H 1 59 PRO QB 4.800 . 4.800 3.028 2.490 3.589 . 0 0 "[ . 1 . 2]" 1
519 1 30 VAL H 1 60 HIS HA 5.040 . 5.040 4.313 3.850 5.107 0.067 14 0 "[ . 1 . 2]" 1
520 1 30 VAL HA 1 31 ASP H 3.660 . 3.660 2.385 2.222 2.640 . 0 0 "[ . 1 . 2]" 1
521 1 30 VAL HA 1 32 ARG H 5.400 . 5.400 4.245 3.833 4.504 . 0 0 "[ . 1 . 2]" 1
522 1 30 VAL HB 1 31 ASP H 3.730 . 3.730 2.474 2.113 2.933 . 0 0 "[ . 1 . 2]" 1
523 1 30 VAL HB 1 32 ARG H 4.280 . 4.280 2.663 2.155 3.066 . 0 0 "[ . 1 . 2]" 1
524 1 30 VAL HB 1 35 ALA MB 5.370 . 5.370 4.127 2.674 4.981 . 0 0 "[ . 1 . 2]" 1
525 1 30 VAL MG1 1 31 ASP H 4.650 . 4.650 3.649 3.434 3.861 . 0 0 "[ . 1 . 2]" 1
526 1 30 VAL MG1 1 32 ARG H 5.280 . 5.280 4.285 3.888 4.628 . 0 0 "[ . 1 . 2]" 1
527 1 30 VAL MG1 1 35 ALA MB 4.580 . 4.580 3.829 2.141 4.604 0.024 2 0 "[ . 1 . 2]" 1
528 1 30 VAL MG1 1 61 ARG QG 4.800 . 4.800 3.729 2.034 4.859 0.059 12 0 "[ . 1 . 2]" 1
529 1 30 VAL MG1 1 80 ALA MB 3.660 . 3.660 2.115 1.926 2.568 . 0 0 "[ . 1 . 2]" 1
530 1 30 VAL MG2 1 31 ASP H 5.250 . 5.250 3.556 3.132 3.905 . 0 0 "[ . 1 . 2]" 1
531 1 30 VAL MG2 1 31 ASP HA 5.000 . 5.000 4.439 4.137 4.723 . 0 0 "[ . 1 . 2]" 1
532 1 30 VAL MG2 1 32 ARG H 3.830 . 3.830 2.841 2.095 3.646 . 0 0 "[ . 1 . 2]" 1
533 1 30 VAL MG2 1 32 ARG HA 5.780 . 5.780 4.343 4.012 4.703 . 0 0 "[ . 1 . 2]" 1
534 1 30 VAL MG2 1 32 ARG QD 5.920 . 5.920 5.389 4.511 6.088 0.168 1 0 "[ . 1 . 2]" 1
535 1 30 VAL MG2 1 33 GLU HA 4.900 . 4.900 3.185 2.089 4.166 . 0 0 "[ . 1 . 2]" 1
536 1 30 VAL MG2 1 35 ALA H 4.810 . 4.810 3.836 3.098 4.601 . 0 0 "[ . 1 . 2]" 1
537 1 30 VAL MG2 1 35 ALA MB 4.050 . 4.050 3.276 1.817 4.099 0.049 13 0 "[ . 1 . 2]" 1
538 1 30 VAL MG2 1 59 PRO HA 4.430 . 4.430 2.489 2.050 3.423 . 0 0 "[ . 1 . 2]" 1
539 1 30 VAL MG2 1 59 PRO QB 4.840 . 4.840 2.694 2.179 3.301 . 0 0 "[ . 1 . 2]" 1
540 1 30 VAL MG2 1 61 ARG HE 6.000 . 6.000 4.459 2.421 6.068 0.068 1 0 "[ . 1 . 2]" 1
541 1 30 VAL MG2 1 61 ARG HG2 5.430 . 5.430 3.824 2.387 5.000 . 0 0 "[ . 1 . 2]" 1
542 1 30 VAL MG2 1 61 ARG QG 4.770 . 4.770 3.510 2.132 4.391 . 0 0 "[ . 1 . 2]" 1
543 1 30 VAL MG2 1 61 ARG HG3 5.430 . 5.430 4.122 2.400 4.978 . 0 0 "[ . 1 . 2]" 1
544 1 31 ASP H 1 32 ARG H 4.160 . 4.160 2.539 2.268 2.816 . 0 0 "[ . 1 . 2]" 1
545 1 31 ASP H 1 32 ARG QB 5.160 . 5.160 4.446 3.842 4.962 . 0 0 "[ . 1 . 2]" 1
546 1 32 ARG H 1 32 ARG QB 3.730 . 3.730 2.449 2.198 2.733 . 0 0 "[ . 1 . 2]" 1
547 1 32 ARG H 1 32 ARG QG 4.800 . 4.800 3.833 2.641 4.323 . 0 0 "[ . 1 . 2]" 1
548 1 32 ARG H 1 33 GLU H 6.170 . 6.170 4.246 3.865 4.522 . 0 0 "[ . 1 . 2]" 1
549 1 32 ARG H 1 33 GLU HA 5.300 . 5.300 5.040 4.702 5.328 0.028 16 0 "[ . 1 . 2]" 1
550 1 32 ARG H 1 35 ALA H 5.430 . 5.430 5.039 4.422 5.481 0.051 4 0 "[ . 1 . 2]" 1
551 1 32 ARG H 1 35 ALA MB 4.870 . 4.870 4.270 3.035 5.066 0.196 18 0 "[ . 1 . 2]" 1
552 1 32 ARG HA 1 33 GLU H 3.580 . 3.580 2.188 2.118 2.300 . 0 0 "[ . 1 . 2]" 1
553 1 32 ARG QB 1 32 ARG HE 4.860 . 4.860 3.637 2.025 4.152 . 0 0 "[ . 1 . 2]" 1
554 1 32 ARG QB 1 34 ASP H 5.730 . 5.730 3.781 2.585 4.699 . 0 0 "[ . 1 . 2]" 1
555 1 32 ARG QB 1 35 ALA MB 3.950 . 3.950 2.753 1.940 3.302 . 0 0 "[ . 1 . 2]" 1
556 1 32 ARG HB2 1 35 ALA H 5.230 . 5.230 4.545 2.859 5.293 0.063 16 0 "[ . 1 . 2]" 1
557 1 32 ARG HB2 1 35 ALA MB 4.710 . 4.710 3.795 2.415 4.861 0.151 13 0 "[ . 1 . 2]" 1
558 1 32 ARG HB3 1 35 ALA H 5.230 . 5.230 3.455 2.474 3.833 . 0 0 "[ . 1 . 2]" 1
559 1 32 ARG HB3 1 35 ALA MB 4.710 . 4.710 3.029 1.997 4.153 . 0 0 "[ . 1 . 2]" 1
560 1 32 ARG QD 1 35 ALA MB 5.290 . 5.290 3.738 2.146 5.018 . 0 0 "[ . 1 . 2]" 1
561 1 32 ARG QG 1 33 GLU H 5.650 . 5.650 3.727 2.879 4.499 . 0 0 "[ . 1 . 2]" 1
562 1 32 ARG QG 1 34 ASP H 4.590 . 4.590 3.436 2.150 4.703 0.113 12 0 "[ . 1 . 2]" 1
563 1 32 ARG QG 1 35 ALA H 5.300 . 5.300 3.717 2.227 5.349 0.049 4 0 "[ . 1 . 2]" 1
564 1 32 ARG QG 1 35 ALA MB 4.330 . 4.330 3.599 2.465 4.575 0.245 14 0 "[ . 1 . 2]" 1
565 1 33 GLU H 1 33 GLU QB 3.850 . 3.850 2.422 2.170 2.787 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLU H 1 33 GLU QG 4.690 . 4.690 3.101 1.906 4.016 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLU H 1 34 ASP H 4.640 . 4.640 2.775 2.566 4.125 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLU H 1 35 ALA H 5.830 . 5.830 4.428 3.991 5.084 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLU HA 1 35 ALA H 5.420 . 5.420 3.913 3.482 4.145 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLU HA 1 59 PRO HA 4.030 . 4.030 2.812 2.002 3.407 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLU HA 1 59 PRO HB2 5.810 . 5.810 4.499 3.694 5.376 . 0 0 "[ . 1 . 2]" 1
572 1 33 GLU HA 1 59 PRO QB 4.900 . 4.900 3.015 2.005 4.206 . 0 0 "[ . 1 . 2]" 1
573 1 33 GLU HA 1 59 PRO HB3 5.810 . 5.810 3.078 2.014 4.392 . 0 0 "[ . 1 . 2]" 1
574 1 33 GLU QB 1 34 ASP H 4.480 . 4.480 3.119 2.422 3.781 . 0 0 "[ . 1 . 2]" 1
575 1 33 GLU QB 1 58 GLY QA 5.810 . 5.810 3.454 2.610 4.676 . 0 0 "[ . 1 . 2]" 1
576 1 33 GLU QB 1 59 PRO HA 5.230 . 5.230 4.061 2.770 5.017 . 0 0 "[ . 1 . 2]" 1
577 1 33 GLU QG 1 59 PRO QD 5.250 . 5.250 3.318 2.062 4.849 . 0 0 "[ . 1 . 2]" 1
578 1 34 ASP H 1 35 ALA H 4.060 . 4.060 2.782 1.993 3.499 . 0 0 "[ . 1 . 2]" 1
579 1 35 ALA H 1 35 ALA MB 3.530 . 3.530 2.387 2.211 2.591 . 0 0 "[ . 1 . 2]" 1
580 1 35 ALA H 1 36 PRO QD 5.610 . 5.610 3.912 3.361 4.429 . 0 0 "[ . 1 . 2]" 1
581 1 35 ALA HA 1 36 PRO HD2 3.750 . 3.750 2.474 2.089 2.837 . 0 0 "[ . 1 . 2]" 1
582 1 35 ALA HA 1 36 PRO HD3 3.750 . 3.750 2.372 1.967 2.895 . 0 0 "[ . 1 . 2]" 1
583 1 35 ALA HA 1 36 PRO HG2 5.840 . 5.840 4.524 4.268 4.741 . 0 0 "[ . 1 . 2]" 1
584 1 35 ALA HA 1 36 PRO QG 4.940 . 4.940 3.991 3.839 4.098 . 0 0 "[ . 1 . 2]" 1
585 1 35 ALA HA 1 36 PRO HG3 5.840 . 5.840 4.465 4.139 4.752 . 0 0 "[ . 1 . 2]" 1
586 1 35 ALA MB 1 36 PRO HD2 4.950 . 4.950 3.644 2.705 4.238 . 0 0 "[ . 1 . 2]" 1
587 1 35 ALA MB 1 36 PRO QD 4.260 . 4.260 3.319 2.616 3.590 . 0 0 "[ . 1 . 2]" 1
588 1 35 ALA MB 1 36 PRO HD3 4.950 . 4.950 3.920 3.477 4.285 . 0 0 "[ . 1 . 2]" 1
589 1 36 PRO HA 1 37 VAL H 3.530 . 3.530 2.413 2.200 2.872 . 0 0 "[ . 1 . 2]" 1
590 1 36 PRO HA 1 37 VAL MG2 5.580 . 5.580 4.252 3.736 4.848 . 0 0 "[ . 1 . 2]" 1
591 1 36 PRO HA 1 61 ARG HE 5.760 . 5.760 4.059 2.269 5.781 0.021 4 0 "[ . 1 . 2]" 1
592 1 36 PRO QB 1 37 VAL H 4.180 . 4.180 2.994 1.863 3.918 . 0 0 "[ . 1 . 2]" 1
593 1 36 PRO QG 1 37 VAL H 5.310 . 5.310 4.474 3.205 5.053 . 0 0 "[ . 1 . 2]" 1
594 1 37 VAL H 1 37 VAL MG1 4.620 . 4.620 2.375 2.004 3.356 . 0 0 "[ . 1 . 2]" 1
595 1 37 VAL H 1 37 VAL MG2 3.730 . 3.730 2.347 2.107 2.675 . 0 0 "[ . 1 . 2]" 1
596 1 37 VAL H 1 61 ARG HE 5.630 . 5.630 4.038 2.703 5.411 . 0 0 "[ . 1 . 2]" 1
597 1 37 VAL HA 1 38 ARG H 3.570 . 3.570 2.307 2.203 2.427 . 0 0 "[ . 1 . 2]" 1
598 1 37 VAL HA 1 38 ARG QG 5.500 . 5.500 4.104 3.447 5.687 0.187 16 0 "[ . 1 . 2]" 1
599 1 37 VAL HA 1 80 ALA HA 4.650 . 4.650 2.415 1.810 3.620 . 0 0 "[ . 1 . 2]" 1
600 1 37 VAL HA 1 80 ALA MB 5.040 . 5.040 3.584 1.996 5.041 0.001 2 0 "[ . 1 . 2]" 1
601 1 37 VAL HB 1 38 ARG H 3.620 . 3.620 2.616 2.211 2.828 . 0 0 "[ . 1 . 2]" 1
602 1 37 VAL HB 1 80 ALA MB 5.230 . 5.230 3.893 2.948 4.903 . 0 0 "[ . 1 . 2]" 1
603 1 37 VAL MG1 1 61 ARG QB 5.390 . 5.390 3.033 2.127 4.208 . 0 0 "[ . 1 . 2]" 1
604 1 37 VAL MG1 1 61 ARG QD 4.800 . 4.800 4.098 3.021 4.898 0.098 17 0 "[ . 1 . 2]" 1
605 1 37 VAL MG1 1 61 ARG HE 5.060 . 5.060 4.306 2.583 5.225 0.165 10 0 "[ . 1 . 2]" 1
606 1 37 VAL MG1 1 61 ARG QG 3.980 . 3.980 2.551 1.718 3.354 . 0 0 "[ . 1 . 2]" 1
607 1 37 VAL MG1 1 80 ALA HA 4.500 . 4.500 2.663 1.952 4.315 . 0 0 "[ . 1 . 2]" 1
608 1 37 VAL MG1 1 80 ALA MB 3.680 . 3.680 2.290 1.894 2.914 . 0 0 "[ . 1 . 2]" 1
609 1 37 VAL MG1 1 81 GLY H 6.300 . 6.300 5.211 4.391 6.067 . 0 0 "[ . 1 . 2]" 1
610 1 37 VAL MG2 1 38 ARG H 4.330 . 4.330 3.398 3.029 3.703 . 0 0 "[ . 1 . 2]" 1
611 1 37 VAL MG2 1 39 TRP HD1 4.640 . 4.640 3.170 2.379 4.490 . 0 0 "[ . 1 . 2]" 1
612 1 37 VAL MG2 1 39 TRP HE1 4.240 . 4.240 2.727 1.941 4.175 . 0 0 "[ . 1 . 2]" 1
613 1 37 VAL MG2 1 61 ARG HB2 4.830 . 4.830 2.709 1.910 3.473 . 0 0 "[ . 1 . 2]" 1
614 1 37 VAL MG2 1 61 ARG QB 4.200 . 4.200 2.118 1.860 2.431 . 0 0 "[ . 1 . 2]" 1
615 1 37 VAL MG2 1 61 ARG HB3 4.830 . 4.830 2.353 1.963 2.859 . 0 0 "[ . 1 . 2]" 1
616 1 37 VAL MG2 1 61 ARG HD2 5.010 . 5.010 3.209 2.399 4.723 . 0 0 "[ . 1 . 2]" 1
617 1 37 VAL MG2 1 61 ARG QD 4.090 . 4.090 3.030 2.369 4.075 . 0 0 "[ . 1 . 2]" 1
618 1 37 VAL MG2 1 61 ARG HD3 5.010 . 5.010 4.085 3.669 4.812 . 0 0 "[ . 1 . 2]" 1
619 1 37 VAL MG2 1 61 ARG HE 5.240 . 5.240 4.087 2.615 4.977 . 0 0 "[ . 1 . 2]" 1
620 1 37 VAL MG2 1 61 ARG QG 4.750 . 4.750 2.261 1.596 3.289 . 0 0 "[ . 1 . 2]" 1
621 1 37 VAL MG2 1 80 ALA HA 5.760 . 5.760 4.738 3.463 5.828 0.068 13 0 "[ . 1 . 2]" 1
622 1 38 ARG H 1 38 ARG QB 3.730 . 3.730 2.601 2.306 3.095 . 0 0 "[ . 1 . 2]" 1
623 1 38 ARG H 1 38 ARG HG2 5.680 . 5.680 3.702 2.137 4.732 . 0 0 "[ . 1 . 2]" 1
624 1 38 ARG H 1 38 ARG QG 4.880 . 4.880 3.061 2.107 4.211 . 0 0 "[ . 1 . 2]" 1
625 1 38 ARG H 1 38 ARG HG3 5.680 . 5.680 3.607 2.563 4.771 . 0 0 "[ . 1 . 2]" 1
626 1 38 ARG H 1 39 TRP H 5.690 . 5.690 4.269 3.916 4.583 . 0 0 "[ . 1 . 2]" 1
627 1 38 ARG H 1 78 CYS HA 6.020 . 6.020 4.033 3.652 4.645 . 0 0 "[ . 1 . 2]" 1
628 1 38 ARG H 1 79 VAL H 4.480 . 4.480 2.920 2.561 3.487 . 0 0 "[ . 1 . 2]" 1
629 1 38 ARG H 1 79 VAL HA 6.300 . 6.300 4.547 4.299 5.067 . 0 0 "[ . 1 . 2]" 1
630 1 38 ARG H 1 79 VAL HB 5.110 . 5.110 3.447 3.109 3.738 . 0 0 "[ . 1 . 2]" 1
631 1 38 ARG H 1 79 VAL MG2 5.370 . 5.370 4.474 4.220 4.726 . 0 0 "[ . 1 . 2]" 1
632 1 38 ARG HA 1 39 TRP HD1 5.090 . 5.090 4.044 3.554 4.611 . 0 0 "[ . 1 . 2]" 1
633 1 38 ARG QB 1 38 ARG QD 3.500 . 3.500 2.473 2.134 3.020 . 0 0 "[ . 1 . 2]" 1
634 1 38 ARG QB 1 39 TRP H 4.170 . 4.170 3.349 2.577 3.956 . 0 0 "[ . 1 . 2]" 1
635 1 38 ARG QB 1 40 TYR QD 4.680 . 4.680 3.677 3.080 4.111 . 0 0 "[ . 1 . 2]" 1
636 1 38 ARG QB 1 40 TYR QE 3.560 . 3.560 2.393 1.814 3.415 . 0 0 "[ . 1 . 2]" 1
637 1 38 ARG QB 1 79 VAL H 5.540 . 5.540 3.287 2.510 4.701 . 0 0 "[ . 1 . 2]" 1
638 1 38 ARG QB 1 79 VAL MG2 4.910 . 4.910 3.584 3.001 4.867 . 0 0 "[ . 1 . 2]" 1
639 1 38 ARG HB2 1 40 TYR QD 5.440 . 5.440 4.117 3.246 5.538 0.098 16 0 "[ . 1 . 2]" 1
640 1 38 ARG HB2 1 79 VAL HB 4.960 . 4.960 2.676 1.787 4.930 . 0 0 "[ . 1 . 2]" 1
641 1 38 ARG HB3 1 40 TYR QD 5.440 . 5.440 4.264 3.762 5.543 0.103 2 0 "[ . 1 . 2]" 1
642 1 38 ARG HB3 1 79 VAL HB 4.960 . 4.960 3.966 2.216 5.045 0.085 2 0 "[ . 1 . 2]" 1
643 1 38 ARG QD 1 40 TYR QE 5.290 . 5.290 3.926 2.375 5.129 . 0 0 "[ . 1 . 2]" 1
644 1 38 ARG QD 1 79 VAL MG1 6.300 . 6.300 4.238 2.822 5.539 . 0 0 "[ . 1 . 2]" 1
645 1 38 ARG HE 1 79 VAL HB 5.450 . 5.450 4.710 2.586 5.627 0.177 8 0 "[ . 1 . 2]" 1
646 1 38 ARG QG 1 40 TYR QE 5.120 . 5.120 3.643 1.623 4.699 . 0 0 "[ . 1 . 2]" 1
647 1 38 ARG QG 1 79 VAL MG1 5.650 . 5.650 4.219 2.899 5.423 . 0 0 "[ . 1 . 2]" 1
648 1 38 ARG QG 1 79 VAL MG2 5.270 . 5.270 4.671 2.970 5.417 0.147 1 0 "[ . 1 . 2]" 1
649 1 38 ARG HG2 1 40 TYR QE 5.820 . 5.820 4.291 2.300 5.385 . 0 0 "[ . 1 . 2]" 1
650 1 38 ARG HG3 1 40 TYR QE 5.820 . 5.820 4.173 1.627 5.177 . 0 0 "[ . 1 . 2]" 1
651 1 39 TRP H 1 39 TRP HB3 4.050 . 4.050 3.639 3.605 3.821 . 0 0 "[ . 1 . 2]" 1
652 1 39 TRP H 1 39 TRP HD1 4.400 . 4.400 2.875 2.532 3.313 . 0 0 "[ . 1 . 2]" 1
653 1 39 TRP H 1 46 VAL MG2 5.940 . 5.940 4.842 4.309 5.921 . 0 0 "[ . 1 . 2]" 1
654 1 39 TRP H 1 78 CYS HA 5.490 . 5.490 4.693 4.326 5.007 . 0 0 "[ . 1 . 2]" 1
655 1 39 TRP HA 1 39 TRP HZ3 5.270 . 5.270 5.229 4.927 5.357 0.087 2 0 "[ . 1 . 2]" 1
656 1 39 TRP HA 1 40 TYR H 3.570 . 3.570 2.195 2.113 2.290 . 0 0 "[ . 1 . 2]" 1
657 1 39 TRP HA 1 40 TYR QD 5.510 . 5.510 3.815 3.240 4.654 . 0 0 "[ . 1 . 2]" 1
658 1 39 TRP HA 1 46 VAL MG2 6.230 . 6.230 4.188 3.518 4.893 . 0 0 "[ . 1 . 2]" 1
659 1 39 TRP HA 1 78 CYS HA 4.180 . 4.180 2.647 2.323 2.967 . 0 0 "[ . 1 . 2]" 1
660 1 39 TRP HA 1 79 VAL H 5.170 . 5.170 3.904 3.543 4.329 . 0 0 "[ . 1 . 2]" 1
661 1 39 TRP HA 1 79 VAL MG2 5.970 . 5.970 4.927 4.286 5.408 . 0 0 "[ . 1 . 2]" 1
662 1 39 TRP HB2 1 40 TYR H 4.910 . 4.910 4.259 4.044 4.454 . 0 0 "[ . 1 . 2]" 1
663 1 39 TRP HB2 1 46 VAL HB 4.790 . 4.790 2.702 2.073 3.886 . 0 0 "[ . 1 . 2]" 1
664 1 39 TRP HB2 1 46 VAL MG2 4.610 . 4.610 3.328 2.783 4.538 . 0 0 "[ . 1 . 2]" 1
665 1 39 TRP HB2 1 54 LEU MD1 5.630 . 5.630 3.214 2.264 4.156 . 0 0 "[ . 1 . 2]" 1
666 1 39 TRP HB2 1 54 LEU MD2 5.630 . 5.630 3.176 2.610 3.889 . 0 0 "[ . 1 . 2]" 1
667 1 39 TRP HB2 1 63 LEU MD1 4.700 . 4.700 3.393 2.690 4.278 . 0 0 "[ . 1 . 2]" 1
668 1 39 TRP HB2 1 63 LEU MD2 6.300 . 6.300 5.932 5.325 6.391 0.091 17 0 "[ . 1 . 2]" 1
669 1 39 TRP HB3 1 39 TRP HZ3 5.650 . 5.650 4.948 4.855 5.076 . 0 0 "[ . 1 . 2]" 1
670 1 39 TRP HB3 1 40 TYR H 5.740 . 5.740 3.276 3.008 3.596 . 0 0 "[ . 1 . 2]" 1
671 1 39 TRP HB3 1 46 VAL HB 4.660 . 4.660 2.943 2.238 3.865 . 0 0 "[ . 1 . 2]" 1
672 1 39 TRP HB3 1 46 VAL MG1 5.210 . 5.210 3.716 2.995 4.275 . 0 0 "[ . 1 . 2]" 1
673 1 39 TRP HB3 1 46 VAL MG2 4.510 . 4.510 2.608 1.814 3.542 . 0 0 "[ . 1 . 2]" 1
674 1 39 TRP HB3 1 54 LEU MD2 5.530 . 5.530 3.633 3.047 4.539 . 0 0 "[ . 1 . 2]" 1
675 1 39 TRP HB3 1 63 LEU MD1 5.030 . 5.030 2.484 1.933 2.886 . 0 0 "[ . 1 . 2]" 1
676 1 39 TRP HD1 1 54 LEU MD1 4.670 . 4.670 2.933 2.021 3.913 . 0 0 "[ . 1 . 2]" 1
677 1 39 TRP HD1 1 54 LEU MD2 4.080 . 4.080 2.982 2.264 3.720 . 0 0 "[ . 1 . 2]" 1
678 1 39 TRP HD1 1 63 LEU MD1 5.470 . 5.470 4.568 3.816 5.462 . 0 0 "[ . 1 . 2]" 1
679 1 39 TRP HE1 1 54 LEU MD2 5.120 . 5.120 3.546 2.524 4.552 . 0 0 "[ . 1 . 2]" 1
680 1 39 TRP HE1 1 61 ARG QB 4.610 . 4.610 2.551 1.640 3.600 . 0 0 "[ . 1 . 2]" 1
681 1 39 TRP HE3 1 63 LEU QB 6.100 . 6.100 3.500 3.050 3.909 . 0 0 "[ . 1 . 2]" 1
682 1 39 TRP HE3 1 63 LEU MD1 6.030 . 6.030 2.644 2.236 3.068 . 0 0 "[ . 1 . 2]" 1
683 1 39 TRP HE3 1 76 PHE QB 5.700 . 5.700 2.768 2.167 3.289 . 0 0 "[ . 1 . 2]" 1
684 1 39 TRP HE3 1 78 CYS QB 5.690 . 5.690 4.115 2.876 5.342 . 0 0 "[ . 1 . 2]" 1
685 1 39 TRP HH2 1 63 LEU H 5.530 . 5.530 3.439 2.933 4.759 . 0 0 "[ . 1 . 2]" 1
686 1 39 TRP HH2 1 63 LEU QB 6.100 . 6.100 3.641 3.228 4.343 . 0 0 "[ . 1 . 2]" 1
687 1 39 TRP HH2 1 78 CYS HB2 6.300 . 6.300 4.730 3.321 5.938 . 0 0 "[ . 1 . 2]" 1
688 1 39 TRP HH2 1 78 CYS HB3 6.300 . 6.300 5.053 3.966 5.871 . 0 0 "[ . 1 . 2]" 1
689 1 39 TRP HH2 1 87 PHE QD 5.500 . 5.500 4.412 3.929 5.106 . 0 0 "[ . 1 . 2]" 1
690 1 39 TRP HH2 1 87 PHE QE 4.790 . 4.790 3.227 2.581 3.790 . 0 0 "[ . 1 . 2]" 1
691 1 39 TRP HZ2 1 61 ARG HB2 5.090 . 5.090 3.890 2.847 5.057 . 0 0 "[ . 1 . 2]" 1
692 1 39 TRP HZ2 1 61 ARG QB 4.420 . 4.420 3.319 2.408 4.505 0.085 2 0 "[ . 1 . 2]" 1
693 1 39 TRP HZ2 1 61 ARG HB3 5.090 . 5.090 3.679 2.495 5.056 . 0 0 "[ . 1 . 2]" 1
694 1 39 TRP HZ2 1 62 ARG H 5.800 . 5.800 4.190 3.415 5.004 . 0 0 "[ . 1 . 2]" 1
695 1 39 TRP HZ2 1 62 ARG HA 4.430 . 4.430 2.572 1.959 3.455 . 0 0 "[ . 1 . 2]" 1
696 1 39 TRP HZ2 1 63 LEU H 5.850 . 5.850 3.068 2.588 3.745 . 0 0 "[ . 1 . 2]" 1
697 1 39 TRP HZ2 1 78 CYS QB 5.940 . 5.940 4.551 3.890 5.272 . 0 0 "[ . 1 . 2]" 1
698 1 39 TRP HZ3 1 40 TYR H 5.960 . 5.960 5.779 5.223 5.988 0.028 8 0 "[ . 1 . 2]" 1
699 1 39 TRP HZ3 1 63 LEU MD1 5.050 . 5.050 3.637 3.159 4.167 . 0 0 "[ . 1 . 2]" 1
700 1 39 TRP HZ3 1 63 LEU MD2 5.940 . 5.940 5.059 4.007 5.895 . 0 0 "[ . 1 . 2]" 1
701 1 39 TRP HZ3 1 76 PHE QB 3.860 . 3.860 3.106 2.479 3.669 . 0 0 "[ . 1 . 2]" 1
702 1 39 TRP HZ3 1 77 GLN H 5.730 . 5.730 5.521 4.849 5.828 0.098 10 0 "[ . 1 . 2]" 1
703 1 39 TRP HZ3 1 78 CYS HA 6.010 . 6.010 5.392 4.584 5.984 . 0 0 "[ . 1 . 2]" 1
704 1 39 TRP HZ3 1 78 CYS QB 5.250 . 5.250 3.996 2.686 5.259 0.009 15 0 "[ . 1 . 2]" 1
705 1 40 TYR H 1 40 TYR QD 4.210 . 4.210 3.082 2.646 3.527 . 0 0 "[ . 1 . 2]" 1
706 1 40 TYR H 1 41 LYS H 5.820 . 5.820 4.411 4.287 4.507 . 0 0 "[ . 1 . 2]" 1
707 1 40 TYR H 1 46 VAL MG2 5.700 . 5.700 3.538 3.056 4.068 . 0 0 "[ . 1 . 2]" 1
708 1 40 TYR H 1 76 PHE HA 5.680 . 5.680 4.237 3.712 4.895 . 0 0 "[ . 1 . 2]" 1
709 1 40 TYR H 1 77 GLN H 4.320 . 4.320 2.691 2.281 3.354 . 0 0 "[ . 1 . 2]" 1
710 1 40 TYR H 1 77 GLN HB2 5.870 . 5.870 4.660 2.944 5.309 . 0 0 "[ . 1 . 2]" 1
711 1 40 TYR H 1 77 GLN QB 4.980 . 4.980 3.530 2.896 3.938 . 0 0 "[ . 1 . 2]" 1
712 1 40 TYR H 1 77 GLN HB3 5.870 . 5.870 3.874 3.352 4.943 . 0 0 "[ . 1 . 2]" 1
713 1 40 TYR H 1 78 CYS HA 5.050 . 5.050 3.784 3.293 4.195 . 0 0 "[ . 1 . 2]" 1
714 1 40 TYR H 1 79 VAL H 6.300 . 6.300 4.728 4.171 5.296 . 0 0 "[ . 1 . 2]" 1
715 1 40 TYR H 1 79 VAL MG2 5.860 . 5.860 4.748 3.983 5.482 . 0 0 "[ . 1 . 2]" 1
716 1 40 TYR HA 1 41 LYS H 3.520 . 3.520 2.283 2.110 2.596 . 0 0 "[ . 1 . 2]" 1
717 1 40 TYR HA 1 44 GLN H 5.700 . 5.700 5.162 4.509 5.762 0.062 7 0 "[ . 1 . 2]" 1
718 1 40 TYR HA 1 45 GLU HA 3.950 . 3.950 2.083 1.517 3.285 . 0 0 "[ . 1 . 2]" 1
719 1 40 TYR HA 1 46 VAL H 4.330 . 4.330 2.869 2.324 4.152 . 0 0 "[ . 1 . 2]" 1
720 1 40 TYR HA 1 46 VAL MG2 4.420 . 4.420 2.714 2.275 2.964 . 0 0 "[ . 1 . 2]" 1
721 1 40 TYR HB2 1 41 LYS H 4.950 . 4.950 4.029 3.453 4.407 . 0 0 "[ . 1 . 2]" 1
722 1 40 TYR HB2 1 77 GLN H 5.310 . 5.310 2.948 2.331 3.515 . 0 0 "[ . 1 . 2]" 1
723 1 40 TYR HB2 1 77 GLN HB2 5.100 . 5.100 3.277 1.709 3.996 . 0 0 "[ . 1 . 2]" 1
724 1 40 TYR HB2 1 77 GLN QB 4.320 . 4.320 2.020 1.705 2.375 . 0 0 "[ . 1 . 2]" 1
725 1 40 TYR HB2 1 77 GLN HB3 5.100 . 5.100 2.356 1.823 3.753 . 0 0 "[ . 1 . 2]" 1
726 1 40 TYR HB3 1 41 LYS H 4.470 . 4.470 2.960 2.191 3.477 . 0 0 "[ . 1 . 2]" 1
727 1 40 TYR HB3 1 43 GLY H 5.240 . 5.240 3.846 2.382 5.338 0.098 20 0 "[ . 1 . 2]" 1
728 1 40 TYR HB3 1 44 GLN H 5.330 . 5.330 4.598 3.723 5.381 0.051 8 0 "[ . 1 . 2]" 1
729 1 40 TYR HB3 1 77 GLN QB 4.940 . 4.940 3.373 2.837 3.738 . 0 0 "[ . 1 . 2]" 1
730 1 40 TYR QD 1 44 GLN H 5.260 . 5.260 4.576 3.443 5.392 0.132 20 0 "[ . 1 . 2]" 1
731 1 40 TYR QD 1 44 GLN HA 4.950 . 4.950 4.182 2.610 5.209 0.259 19 0 "[ . 1 . 2]" 1
732 1 40 TYR QD 1 45 GLU H 4.740 . 4.740 3.395 2.053 4.203 . 0 0 "[ . 1 . 2]" 1
733 1 40 TYR QD 1 45 GLU HA 4.530 . 4.530 2.782 2.234 3.433 . 0 0 "[ . 1 . 2]" 1
734 1 40 TYR QD 1 45 GLU QB 4.280 . 4.280 3.215 2.497 4.177 . 0 0 "[ . 1 . 2]" 1
735 1 40 TYR QD 1 46 VAL H 5.850 . 5.850 4.654 4.210 5.131 . 0 0 "[ . 1 . 2]" 1
736 1 40 TYR QD 1 77 GLN HB2 5.720 . 5.720 4.454 2.346 5.447 . 0 0 "[ . 1 . 2]" 1
737 1 40 TYR QD 1 77 GLN QB 4.840 . 4.840 3.117 2.059 3.861 . 0 0 "[ . 1 . 2]" 1
738 1 40 TYR QD 1 77 GLN HB3 5.720 . 5.720 3.320 2.068 4.207 . 0 0 "[ . 1 . 2]" 1
739 1 40 TYR QD 1 79 VAL HB 4.970 . 4.970 3.963 3.285 5.003 0.033 9 0 "[ . 1 . 2]" 1
740 1 40 TYR QD 1 79 VAL MG2 3.790 . 3.790 2.504 2.070 3.120 . 0 0 "[ . 1 . 2]" 1
741 1 40 TYR QE 1 45 GLU H 5.680 . 5.680 4.247 3.543 5.017 . 0 0 "[ . 1 . 2]" 1
742 1 40 TYR QE 1 45 GLU HA 5.270 . 5.270 3.944 2.725 4.577 . 0 0 "[ . 1 . 2]" 1
743 1 40 TYR QE 1 45 GLU QB 4.050 . 4.050 2.917 2.317 3.979 . 0 0 "[ . 1 . 2]" 1
744 1 40 TYR QE 1 45 GLU QG 5.190 . 5.190 4.221 2.970 5.251 0.061 17 0 "[ . 1 . 2]" 1
745 1 40 TYR QE 1 79 VAL H 5.340 . 5.340 3.643 2.923 4.446 . 0 0 "[ . 1 . 2]" 1
746 1 40 TYR QE 1 79 VAL HB 3.850 . 3.850 2.628 2.074 3.521 . 0 0 "[ . 1 . 2]" 1
747 1 40 TYR QE 1 79 VAL MG2 3.600 . 3.600 2.478 1.966 3.115 . 0 0 "[ . 1 . 2]" 1
748 1 41 LYS H 1 41 LYS QB 3.830 . 3.830 2.521 2.252 2.965 . 0 0 "[ . 1 . 2]" 1
749 1 41 LYS H 1 43 GLY H 5.500 . 5.500 4.011 2.359 5.555 0.055 7 0 "[ . 1 . 2]" 1
750 1 41 LYS H 1 44 GLN H 4.240 . 4.240 3.765 3.143 4.311 0.071 11 0 "[ . 1 . 2]" 1
751 1 41 LYS H 1 45 GLU HA 5.180 . 5.180 3.392 2.427 5.141 . 0 0 "[ . 1 . 2]" 1
752 1 41 LYS H 1 46 VAL MG2 4.360 . 4.360 2.901 2.185 3.955 . 0 0 "[ . 1 . 2]" 1
753 1 41 LYS HA 1 44 GLN H 6.300 . 6.300 5.400 4.503 6.368 0.068 14 0 "[ . 1 . 2]" 1
754 1 41 LYS HA 1 76 PHE HA 4.230 . 4.230 2.843 1.980 3.606 . 0 0 "[ . 1 . 2]" 1
755 1 41 LYS HA 1 77 GLN H 5.370 . 5.370 4.116 3.086 4.683 . 0 0 "[ . 1 . 2]" 1
756 1 41 LYS QB 1 46 VAL MG1 5.120 . 5.120 3.766 2.381 4.701 . 0 0 "[ . 1 . 2]" 1
757 1 41 LYS QB 1 76 PHE QD 4.900 . 4.900 3.529 2.968 4.108 . 0 0 "[ . 1 . 2]" 1
758 1 41 LYS QB 1 76 PHE QE 4.960 . 4.960 3.305 2.442 4.030 . 0 0 "[ . 1 . 2]" 1
759 1 41 LYS HB2 1 46 VAL MG2 4.990 . 4.990 2.184 1.776 2.836 . 0 0 "[ . 1 . 2]" 1
760 1 41 LYS HB3 1 46 VAL MG2 4.990 . 4.990 3.118 2.276 3.797 . 0 0 "[ . 1 . 2]" 1
761 1 41 LYS QD 1 42 ASP H 5.530 . 5.530 3.646 2.245 5.478 . 0 0 "[ . 1 . 2]" 1
762 1 41 LYS QD 1 73 GLY H 5.820 . 5.820 5.567 3.720 6.054 0.234 2 0 "[ . 1 . 2]" 1
763 1 41 LYS QD 1 76 PHE QE 5.650 . 5.650 3.728 2.358 4.658 . 0 0 "[ . 1 . 2]" 1
764 1 41 LYS QE 1 72 ASP HA 4.140 . 4.140 2.203 1.803 3.324 . 0 0 "[ . 1 . 2]" 1
765 1 41 LYS QE 1 73 GLY H 4.670 . 4.670 4.245 3.618 4.862 0.192 12 0 "[ . 1 . 2]" 1
766 1 41 LYS QE 1 76 PHE QE 4.780 . 4.780 3.498 1.912 4.349 . 0 0 "[ . 1 . 2]" 1
767 1 41 LYS HE2 1 72 ASP HA 4.870 . 4.870 2.948 1.905 4.896 0.026 10 0 "[ . 1 . 2]" 1
768 1 41 LYS HE2 1 76 PHE QE 5.610 . 5.610 4.181 2.499 5.608 . 0 0 "[ . 1 . 2]" 1
769 1 41 LYS HE3 1 72 ASP HA 4.870 . 4.870 2.725 1.832 4.927 0.057 12 0 "[ . 1 . 2]" 1
770 1 41 LYS HE3 1 76 PHE QE 5.610 . 5.610 4.012 1.985 5.400 . 0 0 "[ . 1 . 2]" 1
771 1 41 LYS QG 1 72 ASP HA 6.100 . 6.100 4.308 3.414 5.169 . 0 0 "[ . 1 . 2]" 1
772 1 41 LYS QG 1 76 PHE HA 5.620 . 5.620 4.353 3.044 5.668 0.048 7 0 "[ . 1 . 2]" 1
773 1 41 LYS QG 1 76 PHE QD 6.100 . 6.100 3.781 3.197 5.116 . 0 0 "[ . 1 . 2]" 1
774 1 41 LYS QG 1 76 PHE QE 5.630 . 5.630 3.046 2.027 4.453 . 0 0 "[ . 1 . 2]" 1
775 1 41 LYS HG2 1 42 ASP H 5.300 . 5.300 3.475 1.905 4.611 . 0 0 "[ . 1 . 2]" 1
776 1 41 LYS HG3 1 42 ASP H 5.300 . 5.300 4.224 2.134 5.466 0.166 1 0 "[ . 1 . 2]" 1
777 1 42 ASP H 1 43 GLY H 4.590 . 4.590 3.151 2.325 4.403 . 0 0 "[ . 1 . 2]" 1
778 1 42 ASP H 1 75 GLU H 6.040 . 6.040 4.867 3.818 6.146 0.106 17 0 "[ . 1 . 2]" 1
779 1 42 ASP H 1 75 GLU QB 6.100 . 6.100 4.844 3.449 6.289 0.189 4 0 "[ . 1 . 2]" 1
780 1 42 ASP H 1 76 PHE HA 6.270 . 6.270 4.517 3.034 6.275 0.005 19 0 "[ . 1 . 2]" 1
781 1 42 ASP HA 1 75 GLU QB 6.020 . 6.020 4.154 2.582 5.722 . 0 0 "[ . 1 . 2]" 1
782 1 43 GLY H 1 44 GLN H 4.360 . 4.360 2.746 1.815 3.452 . 0 0 "[ . 1 . 2]" 1
783 1 44 GLN H 1 44 GLN HB2 4.340 . 4.340 2.840 2.393 4.045 . 0 0 "[ . 1 . 2]" 1
784 1 44 GLN H 1 44 GLN QB 3.620 . 3.620 2.544 2.202 3.298 . 0 0 "[ . 1 . 2]" 1
785 1 44 GLN H 1 44 GLN HB3 4.340 . 4.340 3.218 2.387 3.884 . 0 0 "[ . 1 . 2]" 1
786 1 44 GLN H 1 44 GLN HG2 5.700 . 5.700 3.836 2.108 4.732 . 0 0 "[ . 1 . 2]" 1
787 1 44 GLN H 1 44 GLN QG 4.920 . 4.920 3.129 2.076 4.253 . 0 0 "[ . 1 . 2]" 1
788 1 44 GLN H 1 44 GLN HG3 5.700 . 5.700 3.514 2.215 4.819 . 0 0 "[ . 1 . 2]" 1
789 1 44 GLN HA 1 45 GLU H 3.520 . 3.520 2.594 2.201 3.490 . 0 0 "[ . 1 . 2]" 1
790 1 44 GLN HA 1 45 GLU QB 4.710 . 4.710 4.349 4.094 4.579 . 0 0 "[ . 1 . 2]" 1
791 1 44 GLN QB 1 45 GLU H 4.350 . 4.350 2.994 2.178 3.933 . 0 0 "[ . 1 . 2]" 1
792 1 44 GLN HB2 1 45 GLU H 4.950 . 4.950 3.767 2.199 4.399 . 0 0 "[ . 1 . 2]" 1
793 1 44 GLN HB3 1 45 GLU H 4.950 . 4.950 3.366 2.210 4.431 . 0 0 "[ . 1 . 2]" 1
794 1 44 GLN QG 1 45 GLU H 4.970 . 4.970 3.700 1.953 4.647 . 0 0 "[ . 1 . 2]" 1
795 1 45 GLU H 1 45 GLU QB 3.460 . 3.460 2.649 2.240 3.125 . 0 0 "[ . 1 . 2]" 1
796 1 45 GLU H 1 45 GLU HG2 5.430 . 5.430 3.717 1.962 5.457 0.027 9 0 "[ . 1 . 2]" 1
797 1 45 GLU H 1 45 GLU HG3 5.430 . 5.430 4.063 3.119 4.931 . 0 0 "[ . 1 . 2]" 1
798 1 45 GLU HA 1 46 VAL H 3.530 . 3.530 2.354 2.108 3.374 . 0 0 "[ . 1 . 2]" 1
799 1 45 GLU HA 1 46 VAL MG1 6.300 . 6.300 5.547 5.417 5.715 . 0 0 "[ . 1 . 2]" 1
800 1 45 GLU HA 1 46 VAL MG2 5.310 . 5.310 3.514 3.165 3.973 . 0 0 "[ . 1 . 2]" 1
801 1 45 GLU QB 1 46 VAL H 5.190 . 5.190 3.209 2.343 3.872 . 0 0 "[ . 1 . 2]" 1
802 1 45 GLU QG 1 46 VAL MG2 5.540 . 5.540 4.620 3.119 5.328 . 0 0 "[ . 1 . 2]" 1
803 1 45 GLU HG2 1 46 VAL H 4.740 . 4.740 3.865 1.631 4.904 0.164 13 0 "[ . 1 . 2]" 1
804 1 45 GLU HG3 1 46 VAL H 4.740 . 4.740 3.396 1.996 4.763 0.023 5 0 "[ . 1 . 2]" 1
805 1 46 VAL H 1 46 VAL HB 4.060 . 4.060 2.630 2.384 3.594 . 0 0 "[ . 1 . 2]" 1
806 1 46 VAL H 1 46 VAL MG2 4.010 . 4.010 2.308 1.918 2.778 . 0 0 "[ . 1 . 2]" 1
807 1 46 VAL H 1 47 GLU H 5.040 . 5.040 3.944 2.183 4.513 . 0 0 "[ . 1 . 2]" 1
808 1 46 VAL HA 1 47 GLU H 3.400 . 3.400 2.431 2.125 3.544 0.144 13 0 "[ . 1 . 2]" 1
809 1 46 VAL HA 1 63 LEU MD1 5.960 . 5.960 4.879 4.345 5.941 . 0 0 "[ . 1 . 2]" 1
810 1 46 VAL HB 1 47 GLU H 4.470 . 4.470 4.048 2.275 4.514 0.044 18 0 "[ . 1 . 2]" 1
811 1 46 VAL MG1 1 47 GLU H 4.430 . 4.430 3.216 2.603 3.927 . 0 0 "[ . 1 . 2]" 1
812 1 46 VAL MG1 1 48 GLU H 6.100 . 6.100 4.542 1.869 5.728 . 0 0 "[ . 1 . 2]" 1
813 1 46 VAL MG1 1 54 LEU MD2 4.070 . 4.070 2.556 1.961 3.698 . 0 0 "[ . 1 . 2]" 1
814 1 46 VAL MG1 1 63 LEU MD1 3.960 . 3.960 2.135 1.759 3.642 . 0 0 "[ . 1 . 2]" 1
815 1 46 VAL MG2 1 47 GLU H 5.460 . 5.460 4.149 3.725 4.365 . 0 0 "[ . 1 . 2]" 1
816 1 46 VAL MG2 1 63 LEU MD1 4.170 . 4.170 2.353 1.839 3.148 . 0 0 "[ . 1 . 2]" 1
817 1 46 VAL MG2 1 76 PHE QE 4.900 . 4.900 2.895 2.001 4.207 . 0 0 "[ . 1 . 2]" 1
818 1 47 GLU H 1 47 GLU QG 4.830 . 4.830 2.983 1.996 4.213 . 0 0 "[ . 1 . 2]" 1
819 1 47 GLU HA 1 48 GLU H 3.310 . 3.310 2.428 2.213 2.759 . 0 0 "[ . 1 . 2]" 1
820 1 47 GLU HA 1 48 GLU HA 5.720 . 5.720 4.456 4.320 4.850 . 0 0 "[ . 1 . 2]" 1
821 1 47 GLU HA 1 54 LEU MD1 5.570 . 5.570 3.379 2.047 5.229 . 0 0 "[ . 1 . 2]" 1
822 1 47 GLU QB 1 48 GLU H 4.380 . 4.380 3.010 2.297 4.055 . 0 0 "[ . 1 . 2]" 1
823 1 47 GLU QB 1 48 GLU QG 5.640 . 5.640 4.980 4.172 5.856 0.216 9 0 "[ . 1 . 2]" 1
824 1 47 GLU HB2 1 48 GLU H 5.010 . 5.010 3.667 2.320 4.669 . 0 0 "[ . 1 . 2]" 1
825 1 47 GLU HB3 1 48 GLU H 5.010 . 5.010 3.494 2.356 4.514 . 0 0 "[ . 1 . 2]" 1
826 1 48 GLU H 1 48 GLU HB2 4.360 . 4.360 2.699 2.473 3.597 . 0 0 "[ . 1 . 2]" 1
827 1 48 GLU H 1 48 GLU QB 3.610 . 3.610 2.627 2.434 3.345 . 0 0 "[ . 1 . 2]" 1
828 1 48 GLU H 1 48 GLU HB3 4.360 . 4.360 3.705 3.616 4.107 . 0 0 "[ . 1 . 2]" 1
829 1 48 GLU H 1 48 GLU HG2 4.910 . 4.910 3.755 3.257 4.533 . 0 0 "[ . 1 . 2]" 1
830 1 48 GLU H 1 48 GLU QG 4.030 . 4.030 2.677 2.197 3.550 . 0 0 "[ . 1 . 2]" 1
831 1 48 GLU H 1 48 GLU HG3 4.910 . 4.910 2.750 2.223 3.709 . 0 0 "[ . 1 . 2]" 1
832 1 48 GLU H 1 49 SER H 5.430 . 5.430 4.120 2.852 4.619 . 0 0 "[ . 1 . 2]" 1
833 1 48 GLU H 1 54 LEU MD1 4.750 . 4.750 3.647 2.780 4.405 . 0 0 "[ . 1 . 2]" 1
834 1 48 GLU HA 1 49 SER H 3.680 . 3.680 2.324 2.094 2.944 . 0 0 "[ . 1 . 2]" 1
835 1 48 GLU HA 1 52 VAL H 5.650 . 5.650 4.697 4.025 5.554 . 0 0 "[ . 1 . 2]" 1
836 1 48 GLU HA 1 52 VAL HB 4.560 . 4.560 2.927 2.063 4.134 . 0 0 "[ . 1 . 2]" 1
837 1 48 GLU HA 1 52 VAL MG1 4.730 . 4.730 3.105 2.363 3.944 . 0 0 "[ . 1 . 2]" 1
838 1 48 GLU HA 1 52 VAL MG2 5.950 . 5.950 4.469 3.763 5.516 . 0 0 "[ . 1 . 2]" 1
839 1 48 GLU HA 1 54 LEU MD1 5.660 . 5.660 4.329 3.640 4.857 . 0 0 "[ . 1 . 2]" 1
840 1 48 GLU QB 1 53 VAL HA 5.600 . 5.600 3.372 2.825 4.423 . 0 0 "[ . 1 . 2]" 1
841 1 48 GLU QB 1 54 LEU H 5.530 . 5.530 4.044 3.211 4.965 . 0 0 "[ . 1 . 2]" 1
842 1 48 GLU QB 1 54 LEU HG 5.190 . 5.190 4.510 4.149 5.333 0.143 16 0 "[ . 1 . 2]" 1
843 1 48 GLU HB2 1 49 SER H 5.380 . 5.380 4.288 3.554 4.532 . 0 0 "[ . 1 . 2]" 1
844 1 48 GLU HB3 1 49 SER H 5.380 . 5.380 3.716 2.199 4.508 . 0 0 "[ . 1 . 2]" 1
845 1 48 GLU QG 1 49 SER H 5.600 . 5.600 4.379 3.579 4.879 . 0 0 "[ . 1 . 2]" 1
846 1 48 GLU QG 1 52 VAL MG1 5.700 . 5.700 3.811 2.536 5.185 . 0 0 "[ . 1 . 2]" 1
847 1 48 GLU QG 1 53 VAL HA 4.970 . 4.970 2.850 2.019 4.368 . 0 0 "[ . 1 . 2]" 1
848 1 48 GLU QG 1 54 LEU H 4.980 . 4.980 2.518 1.914 3.644 . 0 0 "[ . 1 . 2]" 1
849 1 48 GLU QG 1 54 LEU HB2 5.310 . 5.310 3.021 2.149 4.379 . 0 0 "[ . 1 . 2]" 1
850 1 48 GLU QG 1 54 LEU MD1 4.540 . 4.540 2.774 2.274 4.453 . 0 0 "[ . 1 . 2]" 1
851 1 48 GLU HG2 1 53 VAL HA 5.640 . 5.640 3.224 2.027 5.514 . 0 0 "[ . 1 . 2]" 1
852 1 48 GLU HG2 1 54 LEU MD1 5.330 . 5.330 3.692 2.692 5.412 0.082 16 0 "[ . 1 . 2]" 1
853 1 48 GLU HG2 1 54 LEU HG 5.160 . 5.160 3.280 2.016 5.264 0.104 16 0 "[ . 1 . 2]" 1
854 1 48 GLU HG3 1 53 VAL HA 5.640 . 5.640 3.903 2.051 5.275 . 0 0 "[ . 1 . 2]" 1
855 1 48 GLU HG3 1 54 LEU MD1 5.330 . 5.330 2.888 2.310 4.737 . 0 0 "[ . 1 . 2]" 1
856 1 48 GLU HG3 1 54 LEU HG 5.160 . 5.160 2.946 2.234 3.957 . 0 0 "[ . 1 . 2]" 1
857 1 49 SER H 1 50 ASP H 5.720 . 5.720 3.908 2.337 4.651 . 0 0 "[ . 1 . 2]" 1
858 1 49 SER H 1 51 PHE H 5.460 . 5.460 4.863 4.308 5.402 . 0 0 "[ . 1 . 2]" 1
859 1 49 SER H 1 52 VAL H 4.670 . 4.670 3.565 2.967 4.608 . 0 0 "[ . 1 . 2]" 1
860 1 49 SER H 1 52 VAL HB 4.530 . 4.530 2.498 1.592 3.845 . 0 0 "[ . 1 . 2]" 1
861 1 49 SER H 1 52 VAL MG1 4.990 . 4.990 3.770 2.982 4.993 0.003 9 0 "[ . 1 . 2]" 1
862 1 49 SER HA 1 51 PHE H 5.810 . 5.810 4.958 3.567 5.929 0.119 10 0 "[ . 1 . 2]" 1
863 1 49 SER QB 1 50 ASP H 3.720 . 3.720 2.739 1.845 3.874 0.154 3 0 "[ . 1 . 2]" 1
864 1 49 SER QB 1 52 VAL H 5.640 . 5.640 3.527 2.139 5.297 . 0 0 "[ . 1 . 2]" 1
865 1 49 SER HB2 1 50 ASP H 4.550 . 4.550 3.387 2.204 4.494 . 0 0 "[ . 1 . 2]" 1
866 1 49 SER HB2 1 51 PHE H 5.800 . 5.800 4.715 3.313 6.200 0.400 14 0 "[ . 1 . 2]" 1
867 1 49 SER HB3 1 50 ASP H 4.550 . 4.550 3.152 1.867 4.252 . 0 0 "[ . 1 . 2]" 1
868 1 49 SER HB3 1 51 PHE H 5.800 . 5.800 4.252 2.777 5.848 0.048 8 0 "[ . 1 . 2]" 1
869 1 50 ASP H 1 50 ASP QB 3.790 . 3.790 2.775 2.195 3.418 . 0 0 "[ . 1 . 2]" 1
870 1 50 ASP H 1 51 PHE H 4.500 . 4.500 3.047 2.430 4.318 . 0 0 "[ . 1 . 2]" 1
871 1 50 ASP HA 1 52 VAL MG2 6.300 . 6.300 5.759 4.448 6.339 0.039 18 0 "[ . 1 . 2]" 1
872 1 50 ASP QB 1 51 PHE QD 5.080 . 5.080 2.885 2.198 4.067 . 0 0 "[ . 1 . 2]" 1
873 1 50 ASP HB2 1 51 PHE QD 5.930 . 5.930 3.945 2.433 5.266 . 0 0 "[ . 1 . 2]" 1
874 1 50 ASP HB3 1 51 PHE QD 5.930 . 5.930 3.310 2.209 4.373 . 0 0 "[ . 1 . 2]" 1
875 1 51 PHE H 1 51 PHE QB 3.890 . 3.890 2.735 2.371 3.491 . 0 0 "[ . 1 . 2]" 1
876 1 51 PHE H 1 51 PHE QD 5.130 . 5.130 2.794 1.828 3.960 . 0 0 "[ . 1 . 2]" 1
877 1 51 PHE H 1 52 VAL H 3.990 . 3.990 2.503 1.626 2.822 . 0 0 "[ . 1 . 2]" 1
878 1 51 PHE H 1 52 VAL MG2 5.520 . 5.520 3.706 2.791 4.363 . 0 0 "[ . 1 . 2]" 1
879 1 51 PHE HA 1 52 VAL MG2 5.580 . 5.580 4.688 4.369 5.000 . 0 0 "[ . 1 . 2]" 1
880 1 51 PHE HA 1 66 PRO QG 5.250 . 5.250 3.145 2.259 4.350 . 0 0 "[ . 1 . 2]" 1
881 1 51 PHE QB 1 52 VAL MG2 4.700 . 4.700 3.271 2.705 4.376 . 0 0 "[ . 1 . 2]" 1
882 1 51 PHE HB2 1 52 VAL H 5.950 . 5.950 3.402 2.339 4.217 . 0 0 "[ . 1 . 2]" 1
883 1 51 PHE HB2 1 52 VAL MG2 5.440 . 5.440 3.410 2.794 4.731 . 0 0 "[ . 1 . 2]" 1
884 1 51 PHE HB3 1 52 VAL H 5.950 . 5.950 4.117 3.270 4.490 . 0 0 "[ . 1 . 2]" 1
885 1 51 PHE HB3 1 52 VAL MG2 5.440 . 5.440 4.244 3.437 5.157 . 0 0 "[ . 1 . 2]" 1
886 1 51 PHE QD 1 66 PRO QG 5.440 . 5.440 3.366 1.749 5.173 . 0 0 "[ . 1 . 2]" 1
887 1 51 PHE QD 1 67 ALA MB 5.580 . 5.580 3.158 1.842 4.836 . 0 0 "[ . 1 . 2]" 1
888 1 52 VAL H 1 52 VAL MG2 4.580 . 4.580 2.337 1.898 2.858 . 0 0 "[ . 1 . 2]" 1
889 1 52 VAL H 1 53 VAL MG1 5.650 . 5.650 4.255 3.704 4.870 . 0 0 "[ . 1 . 2]" 1
890 1 52 VAL HA 1 53 VAL H 3.690 . 3.690 2.212 2.173 2.248 . 0 0 "[ . 1 . 2]" 1
891 1 52 VAL HA 1 53 VAL HB 6.300 . 6.300 5.883 5.802 5.932 . 0 0 "[ . 1 . 2]" 1
892 1 52 VAL HA 1 53 VAL MG2 5.070 . 5.070 3.875 3.678 4.054 . 0 0 "[ . 1 . 2]" 1
893 1 52 VAL HA 1 63 LEU MD2 5.600 . 5.600 4.022 3.340 4.924 . 0 0 "[ . 1 . 2]" 1
894 1 52 VAL HA 1 65 LEU HA 4.940 . 4.940 3.307 2.962 3.637 . 0 0 "[ . 1 . 2]" 1
895 1 52 VAL HA 1 65 LEU QB 6.100 . 6.100 4.696 3.587 4.966 . 0 0 "[ . 1 . 2]" 1
896 1 52 VAL HA 1 65 LEU MD2 4.610 . 4.610 2.299 1.944 2.920 . 0 0 "[ . 1 . 2]" 1
897 1 52 VAL HA 1 66 PRO HD2 4.980 . 4.980 3.541 2.796 4.419 . 0 0 "[ . 1 . 2]" 1
898 1 52 VAL HA 1 66 PRO QD 4.230 . 4.230 3.372 2.689 3.903 . 0 0 "[ . 1 . 2]" 1
899 1 52 VAL HA 1 66 PRO HD3 4.980 . 4.980 4.422 3.493 5.089 0.109 16 0 "[ . 1 . 2]" 1
900 1 52 VAL HA 1 66 PRO QG 5.330 . 5.330 4.828 4.084 5.450 0.120 2 0 "[ . 1 . 2]" 1
901 1 52 VAL HB 1 54 LEU HG 6.300 . 6.300 5.212 4.583 6.182 . 0 0 "[ . 1 . 2]" 1
902 1 52 VAL HB 1 65 LEU MD2 5.250 . 5.250 4.128 3.931 4.460 . 0 0 "[ . 1 . 2]" 1
903 1 52 VAL MG1 1 53 VAL H 5.100 . 5.100 2.948 2.599 3.423 . 0 0 "[ . 1 . 2]" 1
904 1 52 VAL MG1 1 54 LEU HG 5.130 . 5.130 3.181 2.529 4.237 . 0 0 "[ . 1 . 2]" 1
905 1 52 VAL MG1 1 63 LEU MD2 3.990 . 3.990 2.604 2.100 3.198 . 0 0 "[ . 1 . 2]" 1
906 1 52 VAL MG1 1 65 LEU HA 5.350 . 5.350 4.424 3.862 5.093 . 0 0 "[ . 1 . 2]" 1
907 1 52 VAL MG1 1 66 PRO QD 5.760 . 5.760 4.850 4.144 5.421 . 0 0 "[ . 1 . 2]" 1
908 1 52 VAL MG2 1 66 PRO QD 5.680 . 5.680 4.535 4.117 4.861 . 0 0 "[ . 1 . 2]" 1
909 1 53 VAL H 1 53 VAL HB 4.280 . 4.280 3.860 3.730 3.922 . 0 0 "[ . 1 . 2]" 1
910 1 53 VAL H 1 53 VAL MG2 4.300 . 4.300 2.254 2.004 2.371 . 0 0 "[ . 1 . 2]" 1
911 1 53 VAL H 1 54 LEU MD2 5.490 . 5.490 4.446 4.236 4.769 . 0 0 "[ . 1 . 2]" 1
912 1 53 VAL H 1 63 LEU HG 5.820 . 5.820 4.890 4.413 5.586 . 0 0 "[ . 1 . 2]" 1
913 1 53 VAL H 1 64 VAL H 5.440 . 5.440 3.819 3.105 4.137 . 0 0 "[ . 1 . 2]" 1
914 1 53 VAL H 1 64 VAL HB 5.530 . 5.530 3.951 3.531 4.459 . 0 0 "[ . 1 . 2]" 1
915 1 53 VAL H 1 65 LEU HA 5.800 . 5.800 3.791 3.438 4.100 . 0 0 "[ . 1 . 2]" 1
916 1 53 VAL H 1 66 PRO HD2 5.680 . 5.680 4.058 3.437 5.304 . 0 0 "[ . 1 . 2]" 1
917 1 53 VAL H 1 66 PRO QD 4.890 . 4.890 3.562 2.884 3.939 . 0 0 "[ . 1 . 2]" 1
918 1 53 VAL H 1 66 PRO HD3 5.680 . 5.680 4.035 3.051 4.599 . 0 0 "[ . 1 . 2]" 1
919 1 53 VAL HA 1 53 VAL MG2 3.560 . 3.560 3.276 3.265 3.283 . 0 0 "[ . 1 . 2]" 1
920 1 53 VAL HA 1 54 LEU H 3.460 . 3.460 2.202 2.093 2.370 . 0 0 "[ . 1 . 2]" 1
921 1 53 VAL HA 1 54 LEU HB2 5.810 . 5.810 4.592 4.474 4.683 . 0 0 "[ . 1 . 2]" 1
922 1 53 VAL HA 1 54 LEU HG 5.730 . 5.730 3.833 3.556 4.205 . 0 0 "[ . 1 . 2]" 1
923 1 53 VAL HB 1 54 LEU HA 6.300 . 6.300 4.795 4.653 5.000 . 0 0 "[ . 1 . 2]" 1
924 1 53 VAL MG1 1 66 PRO HD2 6.300 . 6.300 4.557 4.079 5.324 . 0 0 "[ . 1 . 2]" 1
925 1 53 VAL MG1 1 66 PRO QD 5.400 . 5.400 3.838 3.410 4.283 . 0 0 "[ . 1 . 2]" 1
926 1 53 VAL MG1 1 66 PRO HD3 6.300 . 6.300 4.157 3.616 4.657 . 0 0 "[ . 1 . 2]" 1
927 1 53 VAL MG2 1 54 LEU H 4.110 . 4.110 3.979 3.583 4.220 0.110 17 0 "[ . 1 . 2]" 1
928 1 53 VAL MG2 1 54 LEU HA 5.990 . 5.990 4.267 4.004 4.520 . 0 0 "[ . 1 . 2]" 1
929 1 53 VAL MG2 1 55 GLU H 5.730 . 5.730 4.542 3.805 5.172 . 0 0 "[ . 1 . 2]" 1
930 1 53 VAL MG2 1 55 GLU QB 5.190 . 5.190 4.831 4.002 5.292 0.102 19 0 "[ . 1 . 2]" 1
931 1 53 VAL MG2 1 55 GLU QG 4.790 . 4.790 3.242 2.514 4.743 . 0 0 "[ . 1 . 2]" 1
932 1 53 VAL MG2 1 64 VAL H 5.610 . 5.610 3.203 2.742 3.477 . 0 0 "[ . 1 . 2]" 1
933 1 53 VAL MG2 1 64 VAL HA 5.730 . 5.730 4.274 4.165 4.406 . 0 0 "[ . 1 . 2]" 1
934 1 53 VAL MG2 1 64 VAL HB 4.230 . 4.230 1.852 1.756 2.069 . 0 0 "[ . 1 . 2]" 1
935 1 53 VAL MG2 1 65 LEU HA 5.870 . 5.870 3.986 3.457 4.527 . 0 0 "[ . 1 . 2]" 1
936 1 53 VAL MG2 1 66 PRO HD2 5.280 . 5.280 3.756 2.999 4.798 . 0 0 "[ . 1 . 2]" 1
937 1 53 VAL MG2 1 66 PRO QD 4.540 . 4.540 2.771 2.332 3.252 . 0 0 "[ . 1 . 2]" 1
938 1 53 VAL MG2 1 66 PRO HD3 5.280 . 5.280 2.867 2.359 3.308 . 0 0 "[ . 1 . 2]" 1
939 1 53 VAL MG2 1 66 PRO QG 4.380 . 4.380 3.797 2.939 4.364 . 0 0 "[ . 1 . 2]" 1
940 1 54 LEU H 1 54 LEU HB2 4.270 . 4.270 2.569 2.478 2.643 . 0 0 "[ . 1 . 2]" 1
941 1 54 LEU H 1 54 LEU MD1 5.530 . 5.530 3.979 3.798 4.188 . 0 0 "[ . 1 . 2]" 1
942 1 54 LEU H 1 54 LEU MD2 5.100 . 5.100 3.663 3.330 3.916 . 0 0 "[ . 1 . 2]" 1
943 1 54 LEU H 1 54 LEU HG 4.640 . 4.640 2.826 2.543 3.114 . 0 0 "[ . 1 . 2]" 1
944 1 54 LEU HA 1 54 LEU MD2 3.860 . 3.860 2.111 2.048 2.188 . 0 0 "[ . 1 . 2]" 1
945 1 54 LEU HA 1 55 GLU H 3.570 . 3.570 2.188 2.146 2.234 . 0 0 "[ . 1 . 2]" 1
946 1 54 LEU HA 1 63 LEU HA 4.560 . 4.560 2.713 2.495 2.909 . 0 0 "[ . 1 . 2]" 1
947 1 54 LEU HA 1 63 LEU MD1 5.910 . 5.910 5.269 4.961 5.691 . 0 0 "[ . 1 . 2]" 1
948 1 54 LEU HA 1 63 LEU MD2 5.720 . 5.720 4.988 4.495 5.715 . 0 0 "[ . 1 . 2]" 1
949 1 54 LEU HA 1 63 LEU HG 6.020 . 6.020 4.248 3.769 4.682 . 0 0 "[ . 1 . 2]" 1
950 1 54 LEU HA 1 64 VAL H 5.830 . 5.830 3.238 2.896 3.615 . 0 0 "[ . 1 . 2]" 1
951 1 54 LEU HA 1 64 VAL HB 5.640 . 5.640 4.929 4.369 5.626 . 0 0 "[ . 1 . 2]" 1
952 1 54 LEU HB2 1 55 GLU H 4.400 . 4.400 4.333 4.123 4.471 0.071 8 0 "[ . 1 . 2]" 1
953 1 54 LEU HB3 1 55 GLU H 5.220 . 5.220 3.568 3.154 3.973 . 0 0 "[ . 1 . 2]" 1
954 1 54 LEU MD2 1 55 GLU H 4.970 . 4.970 3.813 3.629 4.000 . 0 0 "[ . 1 . 2]" 1
955 1 54 LEU MD2 1 63 LEU HA 4.080 . 4.080 2.235 2.022 2.543 . 0 0 "[ . 1 . 2]" 1
956 1 54 LEU MD2 1 63 LEU HB2 4.830 . 4.830 2.877 2.613 3.157 . 0 0 "[ . 1 . 2]" 1
957 1 54 LEU MD2 1 63 LEU QB 4.220 . 4.220 2.813 2.572 3.068 . 0 0 "[ . 1 . 2]" 1
958 1 54 LEU MD2 1 63 LEU HB3 4.830 . 4.830 3.991 3.826 4.190 . 0 0 "[ . 1 . 2]" 1
959 1 54 LEU MD2 1 63 LEU HG 4.600 . 4.600 2.175 1.994 2.515 . 0 0 "[ . 1 . 2]" 1
960 1 54 LEU MD2 1 64 VAL H 5.100 . 5.100 3.404 2.945 3.957 . 0 0 "[ . 1 . 2]" 1
961 1 54 LEU HG 1 55 GLU H 5.850 . 5.850 5.270 5.196 5.359 . 0 0 "[ . 1 . 2]" 1
962 1 55 GLU H 1 55 GLU QG 4.810 . 4.810 2.708 2.315 4.054 . 0 0 "[ . 1 . 2]" 1
963 1 55 GLU H 1 62 ARG H 5.220 . 5.220 3.635 3.189 4.546 . 0 0 "[ . 1 . 2]" 1
964 1 55 GLU H 1 63 LEU HA 5.170 . 5.170 3.638 3.262 4.027 . 0 0 "[ . 1 . 2]" 1
965 1 55 GLU H 1 64 VAL MG2 5.460 . 5.460 3.420 2.562 4.067 . 0 0 "[ . 1 . 2]" 1
966 1 55 GLU HA 1 56 ASN H 3.360 . 3.360 2.202 2.130 2.386 . 0 0 "[ . 1 . 2]" 1
967 1 55 GLU QB 1 56 ASN H 4.550 . 4.550 3.244 2.712 3.493 . 0 0 "[ . 1 . 2]" 1
968 1 55 GLU QB 1 62 ARG H 5.570 . 5.570 3.601 2.702 4.965 . 0 0 "[ . 1 . 2]" 1
969 1 55 GLU QB 1 64 VAL MG2 5.320 . 5.320 3.041 2.040 3.677 . 0 0 "[ . 1 . 2]" 1
970 1 55 GLU QG 1 64 VAL MG2 4.840 . 4.840 2.482 1.994 3.418 . 0 0 "[ . 1 . 2]" 1
971 1 55 GLU HG2 1 56 ASN H 5.990 . 5.990 4.745 3.444 5.322 . 0 0 "[ . 1 . 2]" 1
972 1 55 GLU HG3 1 56 ASN H 5.990 . 5.990 5.310 4.261 5.698 . 0 0 "[ . 1 . 2]" 1
973 1 56 ASN H 1 56 ASN QB 3.860 . 3.860 2.804 2.486 3.218 . 0 0 "[ . 1 . 2]" 1
974 1 56 ASN H 1 57 GLU HB2 6.300 . 6.300 5.061 4.505 6.374 0.074 8 0 "[ . 1 . 2]" 1
975 1 56 ASN H 1 57 GLU HB3 6.300 . 6.300 5.587 4.542 6.037 . 0 0 "[ . 1 . 2]" 1
976 1 56 ASN HA 1 57 GLU H 3.550 . 3.550 2.188 2.107 2.269 . 0 0 "[ . 1 . 2]" 1
977 1 56 ASN HA 1 57 GLU QB 5.450 . 5.450 4.218 3.996 4.777 . 0 0 "[ . 1 . 2]" 1
978 1 56 ASN HA 1 61 ARG HA 4.350 . 4.350 2.753 2.487 3.316 . 0 0 "[ . 1 . 2]" 1
979 1 56 ASN HA 1 61 ARG QD 5.030 . 5.030 2.869 2.098 3.800 . 0 0 "[ . 1 . 2]" 1
980 1 56 ASN HA 1 61 ARG QG 6.100 . 6.100 4.361 3.077 5.221 . 0 0 "[ . 1 . 2]" 1
981 1 56 ASN HA 1 62 ARG H 4.980 . 4.980 3.700 2.974 4.417 . 0 0 "[ . 1 . 2]" 1
982 1 56 ASN HA 1 62 ARG QG 6.100 . 6.100 4.533 3.273 5.967 . 0 0 "[ . 1 . 2]" 1
983 1 56 ASN QB 1 61 ARG QD 5.430 . 5.430 2.653 1.899 4.492 . 0 0 "[ . 1 . 2]" 1
984 1 57 GLU H 1 60 HIS H 5.240 . 5.240 3.803 3.266 4.322 . 0 0 "[ . 1 . 2]" 1
985 1 57 GLU H 1 60 HIS HB2 5.090 . 5.090 3.096 2.276 3.784 . 0 0 "[ . 1 . 2]" 1
986 1 57 GLU H 1 60 HIS HB3 6.300 . 6.300 4.238 3.522 5.134 . 0 0 "[ . 1 . 2]" 1
987 1 57 GLU HA 1 58 GLY QA 5.390 . 5.390 3.955 3.922 3.996 . 0 0 "[ . 1 . 2]" 1
988 1 57 GLU QB 1 58 GLY QA 5.410 . 5.410 4.573 3.954 4.733 . 0 0 "[ . 1 . 2]" 1
989 1 57 GLU QG 1 58 GLY H 5.550 . 5.550 3.972 3.392 4.839 . 0 0 "[ . 1 . 2]" 1
990 1 58 GLY QA 1 59 PRO QD 3.270 . 3.270 2.009 1.896 2.107 . 0 0 "[ . 1 . 2]" 1
991 1 58 GLY QA 1 59 PRO QG 4.630 . 4.630 3.802 3.640 3.931 . 0 0 "[ . 1 . 2]" 1
992 1 58 GLY QA 1 60 HIS HD2 6.000 . 6.000 4.074 3.285 4.711 . 0 0 "[ . 1 . 2]" 1
993 1 59 PRO QD 1 60 HIS H 4.330 . 4.330 2.579 2.251 2.948 . 0 0 "[ . 1 . 2]" 1
994 1 59 PRO QD 1 60 HIS HD2 4.370 . 4.370 2.274 1.781 3.044 . 0 0 "[ . 1 . 2]" 1
995 1 59 PRO HD2 1 60 HIS H 5.220 . 5.220 2.622 2.274 3.021 . 0 0 "[ . 1 . 2]" 1
996 1 59 PRO HD3 1 60 HIS H 5.220 . 5.220 3.848 3.604 4.105 . 0 0 "[ . 1 . 2]" 1
997 1 59 PRO QG 1 60 HIS H 4.600 . 4.600 3.331 2.726 4.067 . 0 0 "[ . 1 . 2]" 1
998 1 60 HIS H 1 60 HIS HB2 3.950 . 3.950 2.518 2.351 2.685 . 0 0 "[ . 1 . 2]" 1
999 1 60 HIS H 1 60 HIS HD2 4.770 . 4.770 2.417 2.160 2.739 . 0 0 "[ . 1 . 2]" 1
1000 1 60 HIS H 1 61 ARG H 5.710 . 5.710 4.423 4.222 4.568 . 0 0 "[ . 1 . 2]" 1
1001 1 60 HIS HA 1 61 ARG H 3.620 . 3.620 2.179 2.120 2.264 . 0 0 "[ . 1 . 2]" 1
1002 1 60 HIS HA 1 61 ARG QG 6.100 . 6.100 4.090 3.714 5.322 . 0 0 "[ . 1 . 2]" 1
1003 1 60 HIS HA 1 62 ARG QG 5.750 . 5.750 5.257 3.672 5.922 0.172 12 0 "[ . 1 . 2]" 1
1004 1 60 HIS HB2 1 61 ARG H 5.970 . 5.970 4.334 4.060 4.522 . 0 0 "[ . 1 . 2]" 1
1005 1 60 HIS HB3 1 61 ARG H 4.990 . 4.990 3.575 3.114 3.901 . 0 0 "[ . 1 . 2]" 1
1006 1 60 HIS HB3 1 62 ARG QB 6.100 . 6.100 4.963 4.423 5.713 . 0 0 "[ . 1 . 2]" 1
1007 1 60 HIS HB3 1 62 ARG QG 6.100 . 6.100 4.097 3.204 4.888 . 0 0 "[ . 1 . 2]" 1
1008 1 61 ARG H 1 61 ARG HG2 4.980 . 4.980 3.143 2.371 4.851 . 0 0 "[ . 1 . 2]" 1
1009 1 61 ARG H 1 61 ARG QG 4.330 . 4.330 3.035 2.348 4.051 . 0 0 "[ . 1 . 2]" 1
1010 1 61 ARG H 1 61 ARG HG3 4.980 . 4.980 4.243 3.787 4.636 . 0 0 "[ . 1 . 2]" 1
1011 1 61 ARG H 1 62 ARG H 5.880 . 5.880 4.124 3.173 4.581 . 0 0 "[ . 1 . 2]" 1
1012 1 61 ARG HA 1 61 ARG HD2 4.840 . 4.840 3.079 2.255 3.384 . 0 0 "[ . 1 . 2]" 1
1013 1 61 ARG HA 1 61 ARG QD 4.070 . 4.070 2.266 2.011 3.172 . 0 0 "[ . 1 . 2]" 1
1014 1 61 ARG HA 1 61 ARG HD3 4.840 . 4.840 2.531 2.039 4.289 . 0 0 "[ . 1 . 2]" 1
1015 1 61 ARG HA 1 62 ARG H 3.620 . 3.620 2.274 2.174 2.635 . 0 0 "[ . 1 . 2]" 1
1016 1 61 ARG HA 1 62 ARG QG 5.120 . 5.120 3.865 3.447 4.369 . 0 0 "[ . 1 . 2]" 1
1017 1 61 ARG QD 1 62 ARG H 5.040 . 5.040 4.004 3.316 5.060 0.020 19 0 "[ . 1 . 2]" 1
1018 1 62 ARG H 1 62 ARG QB 3.820 . 3.820 3.009 2.472 3.409 . 0 0 "[ . 1 . 2]" 1
1019 1 62 ARG H 1 62 ARG QD 6.100 . 6.100 4.380 3.969 4.680 . 0 0 "[ . 1 . 2]" 1
1020 1 62 ARG H 1 62 ARG QG 4.260 . 4.260 2.509 2.037 3.077 . 0 0 "[ . 1 . 2]" 1
1021 1 62 ARG HA 1 63 LEU H 3.550 . 3.550 2.147 2.058 2.257 . 0 0 "[ . 1 . 2]" 1
1022 1 62 ARG QB 1 63 LEU H 4.270 . 4.270 3.075 2.544 3.493 . 0 0 "[ . 1 . 2]" 1
1023 1 62 ARG QB 1 64 VAL MG2 3.900 . 3.900 3.163 2.313 3.914 0.014 9 0 "[ . 1 . 2]" 1
1024 1 62 ARG HB2 1 63 LEU H 5.130 . 5.130 3.452 2.582 4.388 . 0 0 "[ . 1 . 2]" 1
1025 1 62 ARG HB3 1 63 LEU H 5.130 . 5.130 3.798 2.724 4.199 . 0 0 "[ . 1 . 2]" 1
1026 1 62 ARG QD 1 64 VAL MG2 4.860 . 4.860 3.280 2.549 4.724 . 0 0 "[ . 1 . 2]" 1
1027 1 62 ARG HD2 1 64 VAL MG2 5.580 . 5.580 3.868 2.813 5.252 . 0 0 "[ . 1 . 2]" 1
1028 1 62 ARG HD3 1 64 VAL MG2 5.580 . 5.580 3.764 2.598 5.525 . 0 0 "[ . 1 . 2]" 1
1029 1 63 LEU H 1 64 VAL MG2 5.540 . 5.540 4.391 3.961 4.775 . 0 0 "[ . 1 . 2]" 1
1030 1 63 LEU HA 1 63 LEU MD1 4.730 . 4.730 3.776 3.612 3.890 . 0 0 "[ . 1 . 2]" 1
1031 1 63 LEU HA 1 63 LEU HG 4.370 . 4.370 2.596 2.514 2.646 . 0 0 "[ . 1 . 2]" 1
1032 1 63 LEU HA 1 64 VAL H 3.660 . 3.660 2.201 2.148 2.239 . 0 0 "[ . 1 . 2]" 1
1033 1 63 LEU HA 1 64 VAL HB 5.620 . 5.620 4.778 4.680 4.918 . 0 0 "[ . 1 . 2]" 1
1034 1 63 LEU HA 1 64 VAL MG2 4.810 . 4.810 3.740 3.493 3.992 . 0 0 "[ . 1 . 2]" 1
1035 1 63 LEU MD1 1 76 PHE QD 4.350 . 4.350 2.431 1.880 3.106 . 0 0 "[ . 1 . 2]" 1
1036 1 63 LEU MD1 1 76 PHE QE 4.960 . 4.960 2.680 2.244 3.576 . 0 0 "[ . 1 . 2]" 1
1037 1 63 LEU MD2 1 64 VAL H 5.030 . 5.030 3.112 2.741 3.780 . 0 0 "[ . 1 . 2]" 1
1038 1 63 LEU MD2 1 64 VAL HA 5.790 . 5.790 3.501 3.081 3.730 . 0 0 "[ . 1 . 2]" 1
1039 1 63 LEU MD2 1 65 LEU H 5.810 . 5.810 3.600 2.882 4.007 . 0 0 "[ . 1 . 2]" 1
1040 1 63 LEU MD2 1 65 LEU MD1 4.550 . 4.550 4.278 4.056 4.479 . 0 0 "[ . 1 . 2]" 1
1041 1 63 LEU MD2 1 65 LEU MD2 3.680 . 3.680 2.066 1.819 3.265 . 0 0 "[ . 1 . 2]" 1
1042 1 63 LEU MD2 1 65 LEU HG 4.040 . 4.040 3.885 3.491 4.115 0.075 11 0 "[ . 1 . 2]" 1
1043 1 63 LEU MD2 1 76 PHE QB 6.100 . 6.100 4.838 4.124 5.605 . 0 0 "[ . 1 . 2]" 1
1044 1 63 LEU MD2 1 76 PHE QD 5.220 . 5.220 4.055 3.378 4.801 . 0 0 "[ . 1 . 2]" 1
1045 1 63 LEU MD2 1 76 PHE QE 4.920 . 4.920 3.367 2.255 4.318 . 0 0 "[ . 1 . 2]" 1
1046 1 63 LEU HG 1 64 VAL H 5.060 . 5.060 3.677 3.121 4.114 . 0 0 "[ . 1 . 2]" 1
1047 1 64 VAL H 1 64 VAL HB 4.130 . 4.130 2.636 2.544 2.772 . 0 0 "[ . 1 . 2]" 1
1048 1 64 VAL H 1 64 VAL MG2 4.220 . 4.220 2.519 2.359 2.760 . 0 0 "[ . 1 . 2]" 1
1049 1 64 VAL HA 1 64 VAL MG2 3.650 . 3.650 2.495 2.418 2.583 . 0 0 "[ . 1 . 2]" 1
1050 1 64 VAL HA 1 65 LEU H 3.510 . 3.510 2.169 2.122 2.246 . 0 0 "[ . 1 . 2]" 1
1051 1 64 VAL HA 1 65 LEU QB 5.890 . 5.890 4.036 3.825 4.154 . 0 0 "[ . 1 . 2]" 1
1052 1 64 VAL MG2 1 65 LEU H 4.700 . 4.700 4.152 3.947 4.298 . 0 0 "[ . 1 . 2]" 1
1053 1 65 LEU H 1 65 LEU MD1 5.200 . 5.200 4.377 4.225 4.433 . 0 0 "[ . 1 . 2]" 1
1054 1 65 LEU H 1 65 LEU HG 5.350 . 5.350 4.918 4.666 5.080 . 0 0 "[ . 1 . 2]" 1
1055 1 65 LEU H 1 66 PRO HD2 6.300 . 6.300 4.594 4.173 5.148 . 0 0 "[ . 1 . 2]" 1
1056 1 65 LEU H 1 66 PRO QD 5.510 . 5.510 3.908 3.607 4.173 . 0 0 "[ . 1 . 2]" 1
1057 1 65 LEU H 1 66 PRO HD3 6.300 . 6.300 4.250 3.947 4.639 . 0 0 "[ . 1 . 2]" 1
1058 1 65 LEU HA 1 65 LEU MD2 4.040 . 4.040 2.274 2.121 2.485 . 0 0 "[ . 1 . 2]" 1
1059 1 65 LEU HA 1 66 PRO HD2 3.970 . 3.970 2.063 1.905 2.554 . 0 0 "[ . 1 . 2]" 1
1060 1 65 LEU HA 1 66 PRO HD3 3.970 . 3.970 2.727 2.112 3.070 . 0 0 "[ . 1 . 2]" 1
1061 1 65 LEU HA 1 67 ALA H 5.630 . 5.630 4.233 3.682 4.882 . 0 0 "[ . 1 . 2]" 1
1062 1 65 LEU HA 1 68 THR HA 6.300 . 6.300 5.362 4.649 6.321 0.021 9 0 "[ . 1 . 2]" 1
1063 1 65 LEU QB 1 66 PRO QD 5.230 . 5.230 3.831 3.634 3.941 . 0 0 "[ . 1 . 2]" 1
1064 1 65 LEU QB 1 67 ALA H 5.810 . 5.810 4.496 3.367 5.215 . 0 0 "[ . 1 . 2]" 1
1065 1 65 LEU QB 1 68 THR H 5.760 . 5.760 4.229 3.581 5.715 . 0 0 "[ . 1 . 2]" 1
1066 1 65 LEU QB 1 68 THR HA 4.770 . 4.770 3.415 2.171 4.717 . 0 0 "[ . 1 . 2]" 1
1067 1 65 LEU QB 1 68 THR MG 4.690 . 4.690 3.290 2.024 4.521 . 0 0 "[ . 1 . 2]" 1
1068 1 65 LEU MD1 1 66 PRO HA 5.300 . 5.300 4.669 3.926 5.073 . 0 0 "[ . 1 . 2]" 1
1069 1 65 LEU MD1 1 66 PRO HB2 5.080 . 5.080 4.766 3.639 5.155 0.075 3 0 "[ . 1 . 2]" 1
1070 1 65 LEU MD1 1 66 PRO HB3 5.330 . 5.330 5.248 4.877 5.509 0.179 5 0 "[ . 1 . 2]" 1
1071 1 65 LEU MD1 1 66 PRO HD2 5.330 . 5.330 2.450 1.880 2.859 . 0 0 "[ . 1 . 2]" 1
1072 1 65 LEU MD1 1 66 PRO QD 4.500 . 4.500 2.424 1.873 2.819 . 0 0 "[ . 1 . 2]" 1
1073 1 65 LEU MD1 1 66 PRO HD3 5.330 . 5.330 3.867 3.082 4.278 . 0 0 "[ . 1 . 2]" 1
1074 1 65 LEU MD1 1 66 PRO HG2 4.580 . 4.580 3.571 2.925 4.239 . 0 0 "[ . 1 . 2]" 1
1075 1 65 LEU MD1 1 66 PRO HG3 4.580 . 4.580 4.577 3.974 4.829 0.249 9 0 "[ . 1 . 2]" 1
1076 1 65 LEU MD1 1 67 ALA MB 4.580 . 4.580 3.750 3.561 4.019 . 0 0 "[ . 1 . 2]" 1
1077 1 65 LEU MD1 1 68 THR HA 5.470 . 5.470 2.123 1.743 2.952 . 0 0 "[ . 1 . 2]" 1
1078 1 65 LEU MD1 1 68 THR MG 5.240 . 5.240 3.411 2.880 4.505 . 0 0 "[ . 1 . 2]" 1
1079 1 65 LEU MD1 1 72 ASP HA 6.300 . 6.300 5.446 4.515 6.103 . 0 0 "[ . 1 . 2]" 1
1080 1 65 LEU MD1 1 72 ASP QB 4.680 . 4.680 3.190 2.390 4.259 . 0 0 "[ . 1 . 2]" 1
1081 1 65 LEU MD2 1 66 PRO HD2 5.550 . 5.550 3.380 1.739 3.892 . 0 0 "[ . 1 . 2]" 1
1082 1 65 LEU MD2 1 66 PRO HD3 5.550 . 5.550 4.386 3.014 4.973 . 0 0 "[ . 1 . 2]" 1
1083 1 65 LEU MD2 1 68 THR MG 5.050 . 5.050 4.130 3.272 5.150 0.100 4 0 "[ . 1 . 2]" 1
1084 1 65 LEU MD2 1 72 ASP QB 5.310 . 5.310 3.319 2.366 4.428 . 0 0 "[ . 1 . 2]" 1
1085 1 65 LEU MD2 1 76 PHE QE 5.340 . 5.340 3.948 2.958 4.554 . 0 0 "[ . 1 . 2]" 1
1086 1 66 PRO HB2 1 67 ALA MB 5.370 . 5.370 3.521 3.268 3.697 . 0 0 "[ . 1 . 2]" 1
1087 1 66 PRO HB3 1 67 ALA H 4.510 . 4.510 3.951 3.493 4.191 . 0 0 "[ . 1 . 2]" 1
1088 1 66 PRO HB3 1 67 ALA MB 5.090 . 5.090 4.885 4.187 5.099 0.009 14 0 "[ . 1 . 2]" 1
1089 1 66 PRO QD 1 67 ALA H 4.320 . 4.320 3.116 2.485 3.586 . 0 0 "[ . 1 . 2]" 1
1090 1 66 PRO QG 1 67 ALA H 5.010 . 5.010 2.427 1.990 3.805 . 0 0 "[ . 1 . 2]" 1
1091 1 66 PRO QG 1 67 ALA MB 5.220 . 5.220 3.724 3.017 4.932 . 0 0 "[ . 1 . 2]" 1
1092 1 66 PRO HG2 1 67 ALA H 5.900 . 5.900 2.472 1.999 4.048 . 0 0 "[ . 1 . 2]" 1
1093 1 66 PRO HG3 1 67 ALA H 5.900 . 5.900 3.934 3.610 4.623 . 0 0 "[ . 1 . 2]" 1
1094 1 67 ALA H 1 68 THR HA 5.320 . 5.320 4.589 4.314 4.957 . 0 0 "[ . 1 . 2]" 1
1095 1 67 ALA HA 1 68 THR H 3.680 . 3.680 2.238 2.150 2.368 . 0 0 "[ . 1 . 2]" 1
1096 1 67 ALA MB 1 68 THR H 5.580 . 5.580 3.553 3.350 3.704 . 0 0 "[ . 1 . 2]" 1
1097 1 68 THR H 1 68 THR MG 4.290 . 4.290 3.770 2.670 3.857 . 0 0 "[ . 1 . 2]" 1
1098 1 68 THR H 1 69 GLN H 5.470 . 5.470 3.900 2.706 4.562 . 0 0 "[ . 1 . 2]" 1
1099 1 68 THR HA 1 72 ASP QB 5.490 . 5.490 3.214 2.412 4.318 . 0 0 "[ . 1 . 2]" 1
1100 1 68 THR HB 1 69 GLN H 4.860 . 4.860 3.970 2.277 4.485 . 0 0 "[ . 1 . 2]" 1
1101 1 68 THR HB 1 72 ASP QB 5.850 . 5.850 4.987 4.108 5.874 0.024 4 0 "[ . 1 . 2]" 1
1102 1 68 THR HB 1 91 ILE MD 4.440 . 4.440 3.353 1.817 4.118 . 0 0 "[ . 1 . 2]" 1
1103 1 68 THR HB 1 91 ILE QG 5.580 . 5.580 4.636 2.933 5.784 0.204 17 0 "[ . 1 . 2]" 1
1104 1 68 THR HB 1 91 ILE MG 5.950 . 5.950 4.555 3.352 5.522 . 0 0 "[ . 1 . 2]" 1
1105 1 68 THR MG 1 69 GLN H 4.730 . 4.730 3.460 2.732 4.209 . 0 0 "[ . 1 . 2]" 1
1106 1 68 THR MG 1 72 ASP HA 6.200 . 6.200 4.976 4.204 6.364 0.164 3 0 "[ . 1 . 2]" 1
1107 1 68 THR MG 1 72 ASP QB 4.260 . 4.260 2.880 2.040 4.243 . 0 0 "[ . 1 . 2]" 1
1108 1 68 THR MG 1 89 VAL MG1 4.230 . 4.230 2.603 1.954 3.284 . 0 0 "[ . 1 . 2]" 1
1109 1 68 THR MG 1 91 ILE MD 3.560 . 3.560 2.051 1.785 2.879 . 0 0 "[ . 1 . 2]" 1
1110 1 68 THR MG 1 91 ILE QG 4.470 . 4.470 3.262 2.402 3.829 . 0 0 "[ . 1 . 2]" 1
1111 1 69 GLN H 1 72 ASP H 5.660 . 5.660 4.249 3.554 5.578 . 0 0 "[ . 1 . 2]" 1
1112 1 69 GLN H 1 72 ASP QB 5.150 . 5.150 3.249 1.923 5.157 0.007 11 0 "[ . 1 . 2]" 1
1113 1 69 GLN H 1 91 ILE MD 5.890 . 5.890 4.308 3.692 4.950 . 0 0 "[ . 1 . 2]" 1
1114 1 69 GLN H 1 91 ILE MG 5.680 . 5.680 5.479 4.540 5.783 0.103 10 0 "[ . 1 . 2]" 1
1115 1 69 GLN HA 1 70 PRO QD 3.510 . 3.510 2.245 1.860 2.771 . 0 0 "[ . 1 . 2]" 1
1116 1 69 GLN HA 1 91 ILE MG 5.480 . 5.480 4.440 3.412 5.616 0.136 4 0 "[ . 1 . 2]" 1
1117 1 69 GLN QB 1 70 PRO QD 3.840 . 3.840 2.274 1.821 3.403 . 0 0 "[ . 1 . 2]" 1
1118 1 69 GLN QB 1 71 SER H 4.750 . 4.750 2.831 1.997 3.787 . 0 0 "[ . 1 . 2]" 1
1119 1 69 GLN QB 1 72 ASP H 5.300 . 5.300 2.791 2.332 3.380 . 0 0 "[ . 1 . 2]" 1
1120 1 69 GLN QB 1 73 GLY H 6.100 . 6.100 4.821 3.465 5.439 . 0 0 "[ . 1 . 2]" 1
1121 1 69 GLN HB2 1 70 PRO QD 4.510 . 4.510 3.607 3.174 4.050 . 0 0 "[ . 1 . 2]" 1
1122 1 69 GLN HB2 1 71 SER H 5.470 . 5.470 3.322 2.099 4.805 . 0 0 "[ . 1 . 2]" 1
1123 1 69 GLN HB3 1 70 PRO QD 4.510 . 4.510 2.328 1.832 4.049 . 0 0 "[ . 1 . 2]" 1
1124 1 69 GLN HB3 1 71 SER H 5.470 . 5.470 3.112 2.232 4.291 . 0 0 "[ . 1 . 2]" 1
1125 1 69 GLN QG 1 70 PRO QD 4.890 . 4.890 3.414 1.909 4.072 . 0 0 "[ . 1 . 2]" 1
1126 1 69 GLN QG 1 72 ASP H 6.100 . 6.100 4.650 2.586 5.204 . 0 0 "[ . 1 . 2]" 1
1127 1 70 PRO HA 1 72 ASP H 5.480 . 5.480 4.368 3.920 5.168 . 0 0 "[ . 1 . 2]" 1
1128 1 70 PRO HA 1 91 ILE HB 4.660 . 4.660 3.181 2.441 4.511 . 0 0 "[ . 1 . 2]" 1
1129 1 70 PRO HA 1 91 ILE MD 4.660 . 4.660 2.736 1.993 3.873 . 0 0 "[ . 1 . 2]" 1
1130 1 70 PRO HA 1 91 ILE QG 4.920 . 4.920 3.383 1.722 4.670 . 0 0 "[ . 1 . 2]" 1
1131 1 70 PRO HA 1 91 ILE MG 4.440 . 4.440 2.667 1.843 3.832 . 0 0 "[ . 1 . 2]" 1
1132 1 70 PRO QB 1 91 ILE MG 5.460 . 5.460 3.335 2.149 4.334 . 0 0 "[ . 1 . 2]" 1
1133 1 70 PRO QD 1 71 SER H 4.790 . 4.790 3.106 2.454 4.306 . 0 0 "[ . 1 . 2]" 1
1134 1 70 PRO QG 1 71 SER H 5.110 . 5.110 3.330 2.328 4.817 . 0 0 "[ . 1 . 2]" 1
1135 1 70 PRO QG 1 71 SER QB 5.280 . 5.280 4.681 3.574 5.457 0.177 8 0 "[ . 1 . 2]" 1
1136 1 70 PRO HG2 1 71 SER H 5.820 . 5.820 3.499 2.344 5.600 . 0 0 "[ . 1 . 2]" 1
1137 1 70 PRO HG3 1 71 SER H 5.820 . 5.820 4.513 3.954 5.720 . 0 0 "[ . 1 . 2]" 1
1138 1 71 SER H 1 72 ASP H 4.500 . 4.500 2.652 2.015 3.106 . 0 0 "[ . 1 . 2]" 1
1139 1 71 SER HA 1 73 GLY H 5.050 . 5.050 3.999 3.206 4.918 . 0 0 "[ . 1 . 2]" 1
1140 1 71 SER HB2 1 72 ASP H 6.090 . 6.090 3.499 2.363 4.401 . 0 0 "[ . 1 . 2]" 1
1141 1 71 SER HB3 1 72 ASP H 6.090 . 6.090 3.586 2.398 4.512 . 0 0 "[ . 1 . 2]" 1
1142 1 72 ASP H 1 72 ASP QB 3.650 . 3.650 2.403 2.173 2.491 . 0 0 "[ . 1 . 2]" 1
1143 1 72 ASP H 1 73 GLY H 4.050 . 4.050 2.638 2.399 2.925 . 0 0 "[ . 1 . 2]" 1
1144 1 72 ASP H 1 91 ILE MD 5.070 . 5.070 4.081 3.078 4.997 . 0 0 "[ . 1 . 2]" 1
1145 1 72 ASP QB 1 73 GLY H 5.300 . 5.300 3.375 2.302 3.812 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ASP QB 1 91 ILE MD 4.820 . 4.820 3.848 2.610 4.829 0.009 4 0 "[ . 1 . 2]" 1
1147 1 73 GLY H 1 89 VAL MG1 6.230 . 6.230 4.780 4.274 5.637 . 0 0 "[ . 1 . 2]" 1
1148 1 73 GLY H 1 91 ILE MD 4.950 . 4.950 3.034 2.420 4.317 . 0 0 "[ . 1 . 2]" 1
1149 1 73 GLY H 1 91 ILE MG 6.300 . 6.300 5.204 4.491 5.931 . 0 0 "[ . 1 . 2]" 1
1150 1 73 GLY QA 1 89 VAL H 6.030 . 6.030 4.803 4.030 5.795 . 0 0 "[ . 1 . 2]" 1
1151 1 73 GLY QA 1 89 VAL HB 4.470 . 4.470 2.896 1.991 3.749 . 0 0 "[ . 1 . 2]" 1
1152 1 73 GLY QA 1 89 VAL MG1 4.180 . 4.180 2.601 2.309 3.408 . 0 0 "[ . 1 . 2]" 1
1153 1 73 GLY QA 1 91 ILE H 5.630 . 5.630 4.144 3.029 5.677 0.047 10 0 "[ . 1 . 2]" 1
1154 1 73 GLY QA 1 91 ILE MD 5.240 . 5.240 2.297 1.763 3.365 . 0 0 "[ . 1 . 2]" 1
1155 1 73 GLY HA2 1 89 VAL HB 5.210 . 5.210 3.009 2.013 4.242 . 0 0 "[ . 1 . 2]" 1
1156 1 73 GLY HA2 1 89 VAL MG1 4.780 . 4.780 2.780 2.332 3.852 . 0 0 "[ . 1 . 2]" 1
1157 1 73 GLY HA3 1 89 VAL HB 5.210 . 5.210 4.114 3.138 5.232 0.022 3 0 "[ . 1 . 2]" 1
1158 1 73 GLY HA3 1 89 VAL MG1 4.780 . 4.780 3.446 2.760 4.811 0.031 3 0 "[ . 1 . 2]" 1
1159 1 74 GLY H 1 75 GLU H 5.170 . 5.170 4.329 3.839 4.647 . 0 0 "[ . 1 . 2]" 1
1160 1 74 GLY H 1 75 GLU QG 5.690 . 5.690 5.484 4.997 5.871 0.181 3 0 "[ . 1 . 2]" 1
1161 1 74 GLY H 1 76 PHE QE 5.520 . 5.520 2.996 1.698 4.497 . 0 0 "[ . 1 . 2]" 1
1162 1 74 GLY H 1 89 VAL H 4.530 . 4.530 3.672 2.904 4.381 . 0 0 "[ . 1 . 2]" 1
1163 1 74 GLY H 1 89 VAL HB 4.270 . 4.270 2.548 2.003 3.347 . 0 0 "[ . 1 . 2]" 1
1164 1 74 GLY H 1 89 VAL MG1 4.850 . 4.850 3.493 2.873 4.153 . 0 0 "[ . 1 . 2]" 1
1165 1 75 GLU H 1 75 GLU QB 3.800 . 3.800 2.511 2.395 3.123 . 0 0 "[ . 1 . 2]" 1
1166 1 75 GLU H 1 75 GLU QG 4.390 . 4.390 2.643 2.257 3.527 . 0 0 "[ . 1 . 2]" 1
1167 1 75 GLU H 1 76 PHE H 4.870 . 4.870 4.394 4.167 4.629 . 0 0 "[ . 1 . 2]" 1
1168 1 75 GLU H 1 88 THR HA 6.080 . 6.080 4.860 4.287 5.381 . 0 0 "[ . 1 . 2]" 1
1169 1 75 GLU H 1 89 VAL HB 6.300 . 6.300 5.641 4.951 6.375 0.075 13 0 "[ . 1 . 2]" 1
1170 1 75 GLU HA 1 76 PHE H 3.590 . 3.590 2.185 2.106 2.273 . 0 0 "[ . 1 . 2]" 1
1171 1 75 GLU HA 1 76 PHE QD 5.520 . 5.520 3.537 3.199 4.136 . 0 0 "[ . 1 . 2]" 1
1172 1 75 GLU HA 1 88 THR MG 5.390 . 5.390 3.811 2.939 4.253 . 0 0 "[ . 1 . 2]" 1
1173 1 75 GLU HA 1 89 VAL H 5.690 . 5.690 3.290 2.639 4.116 . 0 0 "[ . 1 . 2]" 1
1174 1 75 GLU QG 1 76 PHE H 5.890 . 5.890 4.221 3.837 4.423 . 0 0 "[ . 1 . 2]" 1
1175 1 76 PHE H 1 76 PHE QD 4.220 . 4.220 2.594 2.064 3.492 . 0 0 "[ . 1 . 2]" 1
1176 1 76 PHE H 1 77 GLN H 5.950 . 5.950 4.442 4.257 4.603 . 0 0 "[ . 1 . 2]" 1
1177 1 76 PHE H 1 87 PHE H 5.030 . 5.030 3.265 2.779 3.735 . 0 0 "[ . 1 . 2]" 1
1178 1 76 PHE H 1 87 PHE QB 5.250 . 5.250 2.975 2.638 3.423 . 0 0 "[ . 1 . 2]" 1
1179 1 76 PHE H 1 88 THR HA 5.230 . 5.230 3.663 3.136 3.972 . 0 0 "[ . 1 . 2]" 1
1180 1 76 PHE H 1 89 VAL H 6.300 . 6.300 4.171 3.553 4.882 . 0 0 "[ . 1 . 2]" 1
1181 1 76 PHE HA 1 77 GLN H 3.590 . 3.590 2.225 2.100 2.396 . 0 0 "[ . 1 . 2]" 1
1182 1 76 PHE HA 1 77 GLN QB 5.750 . 5.750 4.058 3.821 4.429 . 0 0 "[ . 1 . 2]" 1
1183 1 76 PHE QB 1 77 GLN H 4.550 . 4.550 3.031 2.387 3.444 . 0 0 "[ . 1 . 2]" 1
1184 1 76 PHE QB 1 87 PHE H 5.440 . 5.440 3.526 2.986 3.856 . 0 0 "[ . 1 . 2]" 1
1185 1 76 PHE QB 1 87 PHE QB 4.580 . 4.580 1.887 1.579 2.254 . 0 0 "[ . 1 . 2]" 1
1186 1 76 PHE QB 1 87 PHE QD 5.050 . 5.050 2.938 2.581 3.880 . 0 0 "[ . 1 . 2]" 1
1187 1 76 PHE QB 1 89 VAL H 6.100 . 6.100 5.191 4.647 5.490 . 0 0 "[ . 1 . 2]" 1
1188 1 76 PHE QD 1 77 GLN H 5.050 . 5.050 4.167 3.719 4.673 . 0 0 "[ . 1 . 2]" 1
1189 1 76 PHE QD 1 89 VAL H 5.220 . 5.220 3.442 2.868 3.859 . 0 0 "[ . 1 . 2]" 1
1190 1 76 PHE QD 1 89 VAL HB 4.750 . 4.750 3.549 2.817 4.366 . 0 0 "[ . 1 . 2]" 1
1191 1 76 PHE QD 1 89 VAL MG2 3.980 . 3.980 2.440 2.109 3.168 . 0 0 "[ . 1 . 2]" 1
1192 1 76 PHE QE 1 89 VAL MG1 5.290 . 5.290 3.393 2.861 3.812 . 0 0 "[ . 1 . 2]" 1
1193 1 77 GLN HA 1 78 CYS H 3.520 . 3.520 2.205 2.155 2.278 . 0 0 "[ . 1 . 2]" 1
1194 1 77 GLN HA 1 86 TYR HA 4.750 . 4.750 2.854 2.597 4.222 . 0 0 "[ . 1 . 2]" 1
1195 1 77 GLN HA 1 87 PHE H 5.690 . 5.690 3.741 3.246 4.531 . 0 0 "[ . 1 . 2]" 1
1196 1 77 GLN HA 1 87 PHE QD 5.200 . 5.200 3.924 3.132 5.090 . 0 0 "[ . 1 . 2]" 1
1197 1 77 GLN QB 1 78 CYS H 4.070 . 4.070 3.756 2.772 4.037 . 0 0 "[ . 1 . 2]" 1
1198 1 77 GLN QB 1 79 VAL MG2 4.600 . 4.600 3.445 2.622 4.317 . 0 0 "[ . 1 . 2]" 1
1199 1 77 GLN QB 1 84 CYS QB 6.090 . 6.090 4.337 2.697 5.742 . 0 0 "[ . 1 . 2]" 1
1200 1 77 GLN QE 1 79 VAL MG2 3.850 . 3.850 2.542 1.879 3.982 0.132 10 0 "[ . 1 . 2]" 1
1201 1 77 GLN QE 1 84 CYS QB 5.620 . 5.620 3.379 1.976 4.800 . 0 0 "[ . 1 . 2]" 1
1202 1 77 GLN QG 1 78 CYS H 4.910 . 4.910 3.380 2.495 4.407 . 0 0 "[ . 1 . 2]" 1
1203 1 77 GLN QG 1 84 CYS QB 6.100 . 6.100 3.079 2.063 4.797 . 0 0 "[ . 1 . 2]" 1
1204 1 78 CYS H 1 79 VAL HA 6.300 . 6.300 4.978 4.576 5.260 . 0 0 "[ . 1 . 2]" 1
1205 1 78 CYS H 1 79 VAL MG2 5.220 . 5.220 4.287 3.868 4.537 . 0 0 "[ . 1 . 2]" 1
1206 1 78 CYS H 1 84 CYS HA 5.440 . 5.440 4.560 3.848 5.264 . 0 0 "[ . 1 . 2]" 1
1207 1 78 CYS H 1 85 ALA MB 4.660 . 4.660 3.366 2.924 3.826 . 0 0 "[ . 1 . 2]" 1
1208 1 78 CYS H 1 87 PHE QD 5.620 . 5.620 3.962 3.276 4.795 . 0 0 "[ . 1 . 2]" 1
1209 1 78 CYS HA 1 79 VAL H 3.460 . 3.460 2.245 2.193 2.295 . 0 0 "[ . 1 . 2]" 1
1210 1 78 CYS HA 1 79 VAL MG2 5.330 . 5.330 3.830 3.434 4.001 . 0 0 "[ . 1 . 2]" 1
1211 1 78 CYS HA 1 85 ALA H 5.750 . 5.750 4.709 4.510 5.071 . 0 0 "[ . 1 . 2]" 1
1212 1 78 CYS QB 1 85 ALA H 5.080 . 5.080 2.867 2.433 4.062 . 0 0 "[ . 1 . 2]" 1
1213 1 78 CYS QB 1 85 ALA MB 3.990 . 3.990 2.190 1.781 3.796 . 0 0 "[ . 1 . 2]" 1
1214 1 78 CYS QB 1 87 PHE QE 4.880 . 4.880 2.955 2.163 4.646 . 0 0 "[ . 1 . 2]" 1
1215 1 79 VAL H 1 79 VAL HB 3.870 . 3.870 2.603 2.528 2.762 . 0 0 "[ . 1 . 2]" 1
1216 1 79 VAL H 1 79 VAL MG2 4.050 . 4.050 2.349 2.149 2.624 . 0 0 "[ . 1 . 2]" 1
1217 1 79 VAL H 1 80 ALA H 5.790 . 5.790 4.324 4.196 4.517 . 0 0 "[ . 1 . 2]" 1
1218 1 79 VAL HA 1 80 ALA H 3.380 . 3.380 2.194 2.155 2.227 . 0 0 "[ . 1 . 2]" 1
1219 1 79 VAL HA 1 84 CYS HA 4.000 . 4.000 2.507 2.116 2.943 . 0 0 "[ . 1 . 2]" 1
1220 1 79 VAL HA 1 84 CYS QB 4.790 . 4.790 2.765 2.180 3.456 . 0 0 "[ . 1 . 2]" 1
1221 1 79 VAL HA 1 85 ALA H 5.950 . 5.950 3.964 3.433 4.432 . 0 0 "[ . 1 . 2]" 1
1222 1 79 VAL HB 1 80 ALA H 5.170 . 5.170 4.386 4.127 4.477 . 0 0 "[ . 1 . 2]" 1
1223 1 79 VAL MG1 1 80 ALA H 4.340 . 4.340 3.177 2.775 3.390 . 0 0 "[ . 1 . 2]" 1
1224 1 79 VAL MG1 1 80 ALA HA 5.320 . 5.320 4.144 3.391 4.486 . 0 0 "[ . 1 . 2]" 1
1225 1 79 VAL MG1 1 81 GLY H 4.550 . 4.550 3.089 2.354 4.011 . 0 0 "[ . 1 . 2]" 1
1226 1 79 VAL MG1 1 83 GLU H 5.510 . 5.510 4.725 3.603 5.451 . 0 0 "[ . 1 . 2]" 1
1227 1 79 VAL MG1 1 84 CYS HA 5.710 . 5.710 4.071 3.124 4.615 . 0 0 "[ . 1 . 2]" 1
1228 1 79 VAL MG2 1 80 ALA H 4.580 . 4.580 4.283 4.127 4.390 . 0 0 "[ . 1 . 2]" 1
1229 1 79 VAL MG2 1 81 GLY H 6.150 . 6.150 5.331 4.621 6.246 0.096 13 0 "[ . 1 . 2]" 1
1230 1 79 VAL MG2 1 84 CYS HA 4.830 . 4.830 3.768 3.054 4.316 . 0 0 "[ . 1 . 2]" 1
1231 1 79 VAL MG2 1 84 CYS QB 4.110 . 4.110 2.415 1.892 3.204 . 0 0 "[ . 1 . 2]" 1
1232 1 79 VAL MG2 1 85 ALA H 5.730 . 5.730 4.724 4.095 5.210 . 0 0 "[ . 1 . 2]" 1
1233 1 80 ALA H 1 81 GLY H 5.500 . 5.500 2.747 2.371 4.197 . 0 0 "[ . 1 . 2]" 1
1234 1 80 ALA H 1 84 CYS HA 4.700 . 4.700 3.106 2.521 3.624 . 0 0 "[ . 1 . 2]" 1
1235 1 80 ALA MB 1 81 GLY H 4.380 . 4.380 2.588 1.915 3.641 . 0 0 "[ . 1 . 2]" 1
1236 1 80 ALA MB 1 83 GLU QB 4.940 . 4.940 3.456 2.315 4.560 . 0 0 "[ . 1 . 2]" 1
1237 1 81 GLY H 1 82 ASP H 5.630 . 5.630 3.230 1.860 4.017 . 0 0 "[ . 1 . 2]" 1
1238 1 81 GLY H 1 82 ASP HA 5.280 . 5.280 4.902 4.417 5.488 0.208 12 0 "[ . 1 . 2]" 1
1239 1 81 GLY H 1 83 GLU H 5.520 . 5.520 3.295 2.742 4.923 . 0 0 "[ . 1 . 2]" 1
1240 1 81 GLY QA 1 83 GLU H 5.290 . 5.290 4.023 3.511 4.630 . 0 0 "[ . 1 . 2]" 1
1241 1 82 ASP H 1 83 GLU H 3.990 . 3.990 2.604 1.880 3.750 . 0 0 "[ . 1 . 2]" 1
1242 1 82 ASP H 1 83 GLU QB 6.100 . 6.100 4.728 3.794 5.806 . 0 0 "[ . 1 . 2]" 1
1243 1 82 ASP QB 1 83 GLU H 4.560 . 4.560 2.780 2.184 3.781 . 0 0 "[ . 1 . 2]" 1
1244 1 83 GLU H 1 83 GLU QB 3.840 . 3.840 2.518 2.221 3.114 . 0 0 "[ . 1 . 2]" 1
1245 1 83 GLU H 1 83 GLU HG2 5.290 . 5.290 3.615 2.641 4.758 . 0 0 "[ . 1 . 2]" 1
1246 1 83 GLU H 1 83 GLU QG 4.660 . 4.660 3.104 2.603 4.251 . 0 0 "[ . 1 . 2]" 1
1247 1 83 GLU H 1 83 GLU HG3 5.290 . 5.290 3.718 2.665 4.844 . 0 0 "[ . 1 . 2]" 1
1248 1 83 GLU H 1 84 CYS H 5.300 . 5.300 4.529 4.295 4.645 . 0 0 "[ . 1 . 2]" 1
1249 1 83 GLU HA 1 83 GLU QG 3.860 . 3.860 2.693 2.384 3.574 . 0 0 "[ . 1 . 2]" 1
1250 1 83 GLU HA 1 84 CYS H 3.500 . 3.500 2.372 2.225 2.667 . 0 0 "[ . 1 . 2]" 1
1251 1 83 GLU HA 1 84 CYS QB 5.820 . 5.820 4.279 3.991 4.442 . 0 0 "[ . 1 . 2]" 1
1252 1 83 GLU QB 1 84 CYS H 3.840 . 3.840 2.642 2.029 3.562 . 0 0 "[ . 1 . 2]" 1
1253 1 83 GLU HB2 1 84 CYS H 4.690 . 4.690 3.687 2.040 4.133 . 0 0 "[ . 1 . 2]" 1
1254 1 83 GLU HB3 1 84 CYS H 4.690 . 4.690 2.812 2.124 3.904 . 0 0 "[ . 1 . 2]" 1
1255 1 83 GLU QG 1 84 CYS H 4.820 . 4.820 3.703 2.336 4.457 . 0 0 "[ . 1 . 2]" 1
1256 1 83 GLU HG2 1 84 CYS H 5.570 . 5.570 4.118 2.471 4.964 . 0 0 "[ . 1 . 2]" 1
1257 1 83 GLU HG3 1 84 CYS H 5.570 . 5.570 4.404 2.507 5.216 . 0 0 "[ . 1 . 2]" 1
1258 1 84 CYS HA 1 85 ALA H 3.450 . 3.450 2.184 2.130 2.246 . 0 0 "[ . 1 . 2]" 1
1259 1 84 CYS HA 1 85 ALA MB 5.530 . 5.530 4.017 3.950 4.131 . 0 0 "[ . 1 . 2]" 1
1260 1 84 CYS QB 1 85 ALA H 4.580 . 4.580 3.228 2.847 3.821 . 0 0 "[ . 1 . 2]" 1
1261 1 84 CYS QB 1 85 ALA HA 6.300 . 6.300 4.681 4.333 4.867 . 0 0 "[ . 1 . 2]" 1
1262 1 84 CYS QB 1 85 ALA MB 5.470 . 5.470 4.705 4.436 5.108 . 0 0 "[ . 1 . 2]" 1
1263 1 84 CYS QB 1 86 TYR QD 5.210 . 5.210 4.673 4.152 5.021 . 0 0 "[ . 1 . 2]" 1
1264 1 84 CYS QB 1 86 TYR QE 4.130 . 4.130 3.805 2.782 4.197 0.067 14 0 "[ . 1 . 2]" 1
1265 1 85 ALA HA 1 86 TYR H 3.310 . 3.310 2.304 2.182 2.457 . 0 0 "[ . 1 . 2]" 1
1266 1 85 ALA HA 1 86 TYR QD 4.780 . 4.780 3.602 3.185 3.973 . 0 0 "[ . 1 . 2]" 1
1267 1 85 ALA MB 1 86 TYR H 4.240 . 4.240 2.815 2.505 3.210 . 0 0 "[ . 1 . 2]" 1
1268 1 85 ALA MB 1 87 PHE QD 4.500 . 4.500 4.007 3.586 4.518 0.018 20 0 "[ . 1 . 2]" 1
1269 1 85 ALA MB 1 87 PHE QE 4.200 . 4.200 2.817 2.347 3.458 . 0 0 "[ . 1 . 2]" 1
1270 1 86 TYR H 1 86 TYR QB 3.870 . 3.870 2.599 2.332 2.766 . 0 0 "[ . 1 . 2]" 1
1271 1 86 TYR H 1 86 TYR QD 4.240 . 4.240 2.949 2.302 3.379 . 0 0 "[ . 1 . 2]" 1
1272 1 86 TYR HA 1 86 TYR QD 4.540 . 4.540 2.860 2.659 3.220 . 0 0 "[ . 1 . 2]" 1
1273 1 86 TYR HA 1 87 PHE H 3.580 . 3.580 2.161 2.084 2.234 . 0 0 "[ . 1 . 2]" 1
1274 1 86 TYR QB 1 87 PHE H 4.610 . 4.610 3.142 2.822 3.388 . 0 0 "[ . 1 . 2]" 1
1275 1 87 PHE H 1 87 PHE QD 4.200 . 4.200 2.858 2.439 3.330 . 0 0 "[ . 1 . 2]" 1
1276 1 87 PHE HA 1 88 THR H 3.590 . 3.590 2.253 2.168 2.350 . 0 0 "[ . 1 . 2]" 1
1277 1 87 PHE QB 1 89 VAL MG2 5.170 . 5.170 2.946 2.501 3.637 . 0 0 "[ . 1 . 2]" 1
1278 1 87 PHE QD 1 88 THR H 5.330 . 5.330 4.378 3.950 4.935 . 0 0 "[ . 1 . 2]" 1
1279 1 88 THR H 1 88 THR HB 4.110 . 4.110 2.766 2.535 3.635 . 0 0 "[ . 1 . 2]" 1
1280 1 88 THR H 1 89 VAL MG2 5.880 . 5.880 4.084 3.524 4.481 . 0 0 "[ . 1 . 2]" 1
1281 1 88 THR HA 1 89 VAL H 3.560 . 3.560 2.192 2.107 2.228 . 0 0 "[ . 1 . 2]" 1
1282 1 88 THR HA 1 89 VAL MG2 5.600 . 5.600 3.809 3.638 3.897 . 0 0 "[ . 1 . 2]" 1
1283 1 88 THR MG 1 89 VAL H 4.330 . 4.330 3.354 3.133 3.906 . 0 0 "[ . 1 . 2]" 1
1284 1 88 THR MG 1 89 VAL HB 5.610 . 5.610 5.214 4.781 5.849 0.239 7 0 "[ . 1 . 2]" 1
1285 1 89 VAL H 1 89 VAL HB 4.120 . 4.120 2.551 2.344 2.713 . 0 0 "[ . 1 . 2]" 1
1286 1 89 VAL H 1 89 VAL MG2 4.260 . 4.260 2.434 2.337 2.570 . 0 0 "[ . 1 . 2]" 1
1287 1 89 VAL HA 1 90 THR H 3.360 . 3.360 2.177 2.124 2.263 . 0 0 "[ . 1 . 2]" 1
1288 1 89 VAL HA 1 90 THR HA 4.750 . 4.750 4.496 4.465 4.550 . 0 0 "[ . 1 . 2]" 1
1289 1 89 VAL HA 1 90 THR HB 5.670 . 5.670 4.854 4.539 5.735 0.065 4 0 "[ . 1 . 2]" 1
1290 1 89 VAL MG1 1 90 THR H 4.190 . 4.190 3.112 2.733 3.402 . 0 0 "[ . 1 . 2]" 1
1291 1 89 VAL MG1 1 91 ILE H 5.320 . 5.320 4.168 3.714 4.564 . 0 0 "[ . 1 . 2]" 1
1292 1 89 VAL MG1 1 91 ILE HG12 4.690 . 4.690 3.155 2.572 3.863 . 0 0 "[ . 1 . 2]" 1
1293 1 89 VAL MG1 1 91 ILE QG 4.090 . 4.090 2.742 1.950 3.686 . 0 0 "[ . 1 . 2]" 1
1294 1 89 VAL MG1 1 91 ILE HG13 4.690 . 4.690 3.229 2.019 4.797 0.107 17 0 "[ . 1 . 2]" 1
1295 1 90 THR HA 1 91 ILE H 3.410 . 3.410 2.192 2.150 2.252 . 0 0 "[ . 1 . 2]" 1
1296 1 90 THR HA 1 91 ILE HB 5.800 . 5.800 4.746 4.607 4.871 . 0 0 "[ . 1 . 2]" 1
1297 1 90 THR HB 1 91 ILE H 4.560 . 4.560 4.203 3.420 4.468 . 0 0 "[ . 1 . 2]" 1
1298 1 90 THR MG 1 91 ILE H 4.400 . 4.400 3.178 2.614 4.200 . 0 0 "[ . 1 . 2]" 1
1299 1 91 ILE H 1 91 ILE HB 4.340 . 4.340 2.629 2.484 2.719 . 0 0 "[ . 1 . 2]" 1
1300 1 91 ILE H 1 91 ILE MD 5.620 . 5.620 3.727 3.143 4.138 . 0 0 "[ . 1 . 2]" 1
1301 1 91 ILE H 1 91 ILE QG 5.090 . 5.090 2.461 2.074 2.755 . 0 0 "[ . 1 . 2]" 1
1302 1 91 ILE HA 1 91 ILE MD 4.760 . 4.760 3.301 2.144 3.927 . 0 0 "[ . 1 . 2]" 1
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