NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447893 |
2kt1   |
16681 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kt1
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 979
_Distance_constraint_stats_list.Viol_count 307
_Distance_constraint_stats_list.Viol_total 197.598
_Distance_constraint_stats_list.Viol_max 0.126
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 GLY 0.052 0.052 12 0 "[ . 1 . 2]"
1 4 PRO 0.221 0.083 9 0 "[ . 1 . 2]"
1 5 GLU 0.075 0.075 10 0 "[ . 1 . 2]"
1 6 GLY 0.337 0.083 9 0 "[ . 1 . 2]"
1 7 PHE 0.210 0.041 12 0 "[ . 1 . 2]"
1 8 GLN 1.962 0.126 7 0 "[ . 1 . 2]"
1 9 TYR 0.165 0.101 18 0 "[ . 1 . 2]"
1 10 ARG 0.343 0.056 13 0 "[ . 1 . 2]"
1 11 ALA 0.361 0.075 13 0 "[ . 1 . 2]"
1 12 LEU 0.158 0.048 14 0 "[ . 1 . 2]"
1 13 TYR 0.062 0.031 10 0 "[ . 1 . 2]"
1 14 PRO 1.316 0.098 5 0 "[ . 1 . 2]"
1 15 PHE 0.006 0.006 16 0 "[ . 1 . 2]"
1 16 ARG 0.131 0.098 20 0 "[ . 1 . 2]"
1 17 ARG 1.036 0.098 20 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 0.201 0.095 4 0 "[ . 1 . 2]"
1 20 PRO 0.333 0.116 7 0 "[ . 1 . 2]"
1 21 GLU 0.423 0.116 7 0 "[ . 1 . 2]"
1 22 ASP 0.772 0.092 17 0 "[ . 1 . 2]"
1 23 LEU 0.318 0.068 17 0 "[ . 1 . 2]"
1 24 GLU 0.074 0.033 4 0 "[ . 1 . 2]"
1 25 LEU 0.095 0.022 13 0 "[ . 1 . 2]"
1 26 LEU 1.609 0.098 5 0 "[ . 1 . 2]"
1 27 PRO 0.170 0.023 15 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.163 0.075 13 0 "[ . 1 . 2]"
1 30 VAL 0.208 0.080 2 0 "[ . 1 . 2]"
1 31 LEU 0.201 0.055 12 0 "[ . 1 . 2]"
1 32 VAL 0.256 0.071 18 0 "[ . 1 . 2]"
1 33 VAL 0.129 0.031 19 0 "[ . 1 . 2]"
1 34 SER 0.092 0.038 4 0 "[ . 1 . 2]"
1 35 ARG 0.103 0.036 14 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.100 0.046 4 0 "[ . 1 . 2]"
1 38 LEU 0.172 0.032 18 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.500 0.053 5 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.157 0.039 11 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.114 0.039 11 0 "[ . 1 . 2]"
1 48 GLU 0.199 0.056 20 0 "[ . 1 . 2]"
1 49 ARG 0.011 0.011 15 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 0.114 0.026 8 0 "[ . 1 . 2]"
1 52 GLN 0.133 0.067 19 0 "[ . 1 . 2]"
1 53 SER 0.022 0.022 11 0 "[ . 1 . 2]"
1 54 VAL 0.133 0.104 17 0 "[ . 1 . 2]"
1 55 GLY 0.107 0.083 7 0 "[ . 1 . 2]"
1 56 TRP 0.175 0.083 7 0 "[ . 1 . 2]"
1 57 MET 0.777 0.104 17 0 "[ . 1 . 2]"
1 58 PRO 0.190 0.046 4 0 "[ . 1 . 2]"
1 59 GLY 0.019 0.008 10 0 "[ . 1 . 2]"
1 60 LEU 0.147 0.073 20 0 "[ . 1 . 2]"
1 61 ASN 0.268 0.068 17 0 "[ . 1 . 2]"
1 62 GLU 0.198 0.080 2 0 "[ . 1 . 2]"
1 63 ARG 0.402 0.083 11 0 "[ . 1 . 2]"
1 64 THR 0.061 0.061 7 0 "[ . 1 . 2]"
1 65 ARG 0.353 0.119 14 0 "[ . 1 . 2]"
1 66 GLN 0.051 0.035 10 0 "[ . 1 . 2]"
1 67 ARG 0.135 0.073 20 0 "[ . 1 . 2]"
1 68 GLY 0.036 0.036 4 0 "[ . 1 . 2]"
1 69 ASP 0.081 0.045 8 0 "[ . 1 . 2]"
1 70 PHE 0.104 0.025 13 0 "[ . 1 . 2]"
1 71 PRO 0.073 0.031 16 0 "[ . 1 . 2]"
1 72 GLY 0.275 0.063 2 0 "[ . 1 . 2]"
1 73 THR 0.111 0.067 19 0 "[ . 1 . 2]"
1 74 TYR 0.081 0.031 16 0 "[ . 1 . 2]"
1 75 VAL 0.194 0.034 2 0 "[ . 1 . 2]"
1 76 GLU 0.085 0.049 8 0 "[ . 1 . 2]"
1 77 PHE 0.826 0.081 6 0 "[ . 1 . 2]"
1 78 LEU 0.125 0.049 8 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PRO 0.029 0.020 8 0 "[ . 1 . 2]"
1 81 LEU 1.168 0.126 7 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 GLY QA 1 4 PRO QD 3.060 . 3.370 1.987 1.748 2.228 0.052 12 0 "[ . 1 . 2]" 1
2 1 4 PRO QB 1 6 GLY H 4.230 . 4.650 3.923 2.406 4.733 0.083 9 0 "[ . 1 . 2]" 1
3 1 5 GLU H 1 5 GLU QB 3.450 . 3.790 2.464 2.185 2.928 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLU H 1 6 GLY H 4.520 . 4.970 2.653 1.978 2.909 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLU HA 1 5 GLU QG 3.740 . 4.110 2.798 2.359 3.495 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU QB 1 81 LEU MD1 4.960 . 5.460 3.747 2.106 5.535 0.075 10 0 "[ . 1 . 2]" 1
7 1 6 GLY QA 1 7 PHE QD 4.540 . 4.990 3.402 2.864 3.970 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLY QA 1 34 SER HA 3.380 . 3.720 2.151 1.762 2.743 0.038 4 0 "[ . 1 . 2]" 1
9 1 6 GLY QA 1 35 ARG H 3.430 . 3.770 2.281 1.871 3.007 . 0 0 "[ . 1 . 2]" 1
10 1 6 GLY QA 1 81 LEU MD1 4.030 . 4.430 3.130 1.887 4.465 0.035 19 0 "[ . 1 . 2]" 1
11 1 6 GLY QA 1 81 LEU MD2 4.960 . 5.460 3.933 2.128 4.978 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLY HA2 1 34 SER HA 4.020 . 4.420 2.807 1.798 4.200 0.002 8 0 "[ . 1 . 2]" 1
13 1 6 GLY HA2 1 35 ARG H 4.070 . 4.480 2.373 1.940 3.218 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLY HA3 1 34 SER HA 4.020 . 4.420 2.452 1.777 3.354 0.023 4 0 "[ . 1 . 2]" 1
15 1 6 GLY HA3 1 35 ARG H 4.070 . 4.480 3.203 2.460 4.498 0.018 5 0 "[ . 1 . 2]" 1
16 1 7 PHE H 1 7 PHE HB2 4.090 . 4.500 2.682 2.455 2.799 . 0 0 "[ . 1 . 2]" 1
17 1 7 PHE H 1 7 PHE QD 4.260 . 4.690 3.034 2.374 3.449 . 0 0 "[ . 1 . 2]" 1
18 1 7 PHE H 1 8 GLN H 5.070 . 5.580 4.456 4.367 4.554 . 0 0 "[ . 1 . 2]" 1
19 1 7 PHE H 1 9 TYR QE 5.500 . 6.050 4.328 3.562 5.222 . 0 0 "[ . 1 . 2]" 1
20 1 7 PHE H 1 33 VAL HB 4.710 . 5.180 3.530 3.088 4.117 . 0 0 "[ . 1 . 2]" 1
21 1 7 PHE H 1 33 VAL MG1 4.870 . 5.360 4.131 3.747 4.500 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE H 1 81 LEU MD1 5.420 . 5.960 4.088 2.950 5.990 0.030 13 0 "[ . 1 . 2]" 1
23 1 7 PHE H 1 81 LEU MD2 5.500 . 6.050 4.653 3.040 5.677 . 0 0 "[ . 1 . 2]" 1
24 1 7 PHE HA 1 7 PHE QD 4.000 . 4.400 2.814 2.451 3.147 . 0 0 "[ . 1 . 2]" 1
25 1 7 PHE HA 1 8 GLN H 3.320 . 3.650 2.322 2.189 2.606 . 0 0 "[ . 1 . 2]" 1
26 1 7 PHE HA 1 8 GLN HG2 5.500 . 6.050 5.036 3.899 5.648 . 0 0 "[ . 1 . 2]" 1
27 1 7 PHE HA 1 80 PRO HA 3.640 . 4.000 2.308 1.791 2.590 0.009 2 0 "[ . 1 . 2]" 1
28 1 7 PHE HA 1 80 PRO QB 5.340 . 5.870 4.029 3.211 4.438 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE HA 1 81 LEU H 3.840 . 4.220 3.543 2.690 4.219 . 0 0 "[ . 1 . 2]" 1
30 1 7 PHE HA 1 81 LEU MD1 5.500 . 6.050 3.749 2.410 5.264 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE HA 1 81 LEU MD2 5.500 . 6.050 4.451 2.575 5.238 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE HB2 1 8 GLN H 4.410 . 4.850 3.805 3.207 4.121 . 0 0 "[ . 1 . 2]" 1
33 1 7 PHE HB2 1 9 TYR QE 3.930 . 4.320 2.891 2.319 3.711 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE HB2 1 33 VAL HB 4.600 . 5.060 3.566 2.861 4.042 . 0 0 "[ . 1 . 2]" 1
35 1 7 PHE HB3 1 8 GLN H 4.000 . 4.400 2.692 2.199 3.121 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE HB3 1 9 TYR QE 4.560 . 5.020 3.871 3.396 4.475 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE HB3 1 77 PHE QE 3.840 . 4.220 1.961 1.759 2.314 0.041 12 0 "[ . 1 . 2]" 1
38 1 7 PHE HB3 1 77 PHE HZ 4.680 . 5.150 3.800 2.996 4.281 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE QD 1 8 GLN H 5.170 . 5.690 3.813 3.563 4.108 . 0 0 "[ . 1 . 2]" 1
40 1 7 PHE QD 1 35 ARG HA 4.930 . 5.420 3.630 3.000 4.558 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE QD 1 38 LEU MD1 3.720 . 4.090 2.226 1.869 3.124 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE QD 1 80 PRO HA 3.690 . 4.060 2.761 2.271 3.465 . 0 0 "[ . 1 . 2]" 1
43 1 7 PHE QE 1 35 ARG HA 4.120 . 4.530 3.673 2.233 4.566 0.036 14 0 "[ . 1 . 2]" 1
44 1 7 PHE QE 1 35 ARG QB 4.910 . 5.400 3.238 1.802 5.135 . 0 0 "[ . 1 . 2]" 1
45 1 7 PHE QE 1 35 ARG QD 4.520 . 4.970 3.258 1.896 4.853 . 0 0 "[ . 1 . 2]" 1
46 1 7 PHE QE 1 38 LEU MD1 4.340 . 4.770 2.735 2.422 3.772 . 0 0 "[ . 1 . 2]" 1
47 1 7 PHE QE 1 80 PRO HA 4.590 . 5.050 4.006 3.480 4.584 . 0 0 "[ . 1 . 2]" 1
48 1 7 PHE QE 1 80 PRO QB 4.390 . 4.830 2.975 2.289 3.783 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLN H 1 8 GLN QB 3.700 . 4.070 2.458 2.310 2.610 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLN H 1 8 GLN HG2 4.570 . 5.030 3.911 2.817 4.375 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLN H 1 8 GLN HG3 3.910 . 4.300 2.950 2.538 3.798 . 0 0 "[ . 1 . 2]" 1
52 1 8 GLN H 1 9 TYR H 5.410 . 5.950 4.439 4.365 4.545 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLN H 1 77 PHE QD 4.360 . 4.800 4.770 4.265 4.881 0.081 6 0 "[ . 1 . 2]" 1
54 1 8 GLN H 1 77 PHE QE 4.540 . 4.990 3.987 3.230 4.449 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLN H 1 78 LEU QB 5.500 . 6.050 3.798 3.477 4.197 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLN H 1 79 GLY H 4.110 . 4.520 2.938 2.704 3.258 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLN H 1 80 PRO HA 4.390 . 4.830 3.640 3.057 4.070 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLN H 1 81 LEU MD2 4.620 . 5.080 4.761 3.166 5.206 0.126 7 0 "[ . 1 . 2]" 1
59 1 8 GLN H 1 81 LEU HG 5.500 . 6.050 4.827 4.085 5.572 . 0 0 "[ . 1 . 2]" 1
60 1 8 GLN HA 1 8 GLN HG2 4.240 . 4.660 2.530 2.374 2.712 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLN HA 1 9 TYR H 3.090 . 3.400 2.151 2.109 2.210 . 0 0 "[ . 1 . 2]" 1
62 1 8 GLN HA 1 9 TYR QD 4.610 . 5.070 3.599 3.254 3.972 . 0 0 "[ . 1 . 2]" 1
63 1 8 GLN HA 1 30 VAL MG1 4.800 . 5.280 3.605 3.057 4.193 . 0 0 "[ . 1 . 2]" 1
64 1 8 GLN HA 1 32 VAL HA 3.850 . 4.230 2.736 2.290 3.116 . 0 0 "[ . 1 . 2]" 1
65 1 8 GLN HA 1 32 VAL MG1 5.160 . 5.680 4.098 3.361 4.634 . 0 0 "[ . 1 . 2]" 1
66 1 8 GLN HA 1 32 VAL MG2 4.600 . 5.060 3.741 2.849 4.349 . 0 0 "[ . 1 . 2]" 1
67 1 8 GLN HA 1 33 VAL H 4.670 . 5.140 3.400 3.043 3.904 . 0 0 "[ . 1 . 2]" 1
68 1 8 GLN QB 1 9 TYR H 3.920 . 4.310 3.146 2.845 3.349 . 0 0 "[ . 1 . 2]" 1
69 1 8 GLN QB 1 30 VAL MG1 4.140 . 4.550 2.364 1.979 3.423 . 0 0 "[ . 1 . 2]" 1
70 1 8 GLN QB 1 78 LEU QB 4.090 . 4.500 2.300 1.910 2.792 . 0 0 "[ . 1 . 2]" 1
71 1 8 GLN QB 1 78 LEU MD1 4.010 . 4.410 2.222 1.833 2.873 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLN QB 1 79 GLY H 4.210 . 4.630 3.045 2.604 3.578 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLN QB 1 81 LEU MD2 4.950 . 5.440 4.330 2.991 4.949 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLN QB 1 81 LEU HG 5.070 . 5.580 4.853 3.958 5.668 0.088 19 0 "[ . 1 . 2]" 1
75 1 8 GLN QE 1 30 VAL MG1 3.880 . 4.270 3.200 2.274 4.071 . 0 0 "[ . 1 . 2]" 1
76 1 8 GLN QE 1 32 VAL MG1 4.660 . 5.130 4.115 2.980 5.168 0.038 10 0 "[ . 1 . 2]" 1
77 1 8 GLN QE 1 32 VAL MG2 4.100 . 4.510 3.053 1.868 4.523 0.013 2 0 "[ . 1 . 2]" 1
78 1 8 GLN QE 1 81 LEU MD1 4.460 . 4.910 3.999 2.915 4.600 . 0 0 "[ . 1 . 2]" 1
79 1 8 GLN QE 1 81 LEU MD2 3.980 . 4.380 2.867 1.861 3.959 . 0 0 "[ . 1 . 2]" 1
80 1 8 GLN HE21 1 30 VAL MG1 4.420 . 4.860 3.612 2.389 4.704 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLN HE21 1 81 LEU MD2 4.580 . 5.040 2.991 1.874 4.371 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLN HE22 1 30 VAL MG1 4.420 . 4.860 3.641 2.739 4.459 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLN HE22 1 81 LEU MD2 4.580 . 5.040 3.845 3.107 5.097 0.057 11 0 "[ . 1 . 2]" 1
84 1 8 GLN HG2 1 9 TYR H 4.200 . 4.620 4.259 3.712 4.721 0.101 18 0 "[ . 1 . 2]" 1
85 1 8 GLN HG2 1 32 VAL HA 4.280 . 4.710 3.265 2.486 4.131 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLN HG2 1 33 VAL H 4.910 . 5.400 4.733 3.861 5.431 0.031 19 0 "[ . 1 . 2]" 1
87 1 8 GLN HG2 1 81 LEU MD2 4.100 . 4.510 3.049 2.304 3.627 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLN HG3 1 32 VAL MG1 4.240 . 4.660 3.981 3.158 4.731 0.071 18 0 "[ . 1 . 2]" 1
89 1 8 GLN HG3 1 32 VAL MG2 4.220 . 4.640 3.785 2.272 4.612 . 0 0 "[ . 1 . 2]" 1
90 1 8 GLN HG3 1 81 LEU QB 4.400 . 4.840 3.883 1.833 4.791 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLN HG3 1 81 LEU MD2 3.560 . 3.920 2.843 1.918 3.887 . 0 0 "[ . 1 . 2]" 1
92 1 9 TYR H 1 9 TYR HB2 3.780 . 4.160 2.602 2.514 2.708 . 0 0 "[ . 1 . 2]" 1
93 1 9 TYR H 1 9 TYR QD 3.720 . 4.090 2.714 2.343 3.006 . 0 0 "[ . 1 . 2]" 1
94 1 9 TYR H 1 9 TYR QE 5.500 . 6.050 4.758 4.408 5.079 . 0 0 "[ . 1 . 2]" 1
95 1 9 TYR H 1 30 VAL MG1 3.840 . 4.220 3.507 3.061 3.975 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR H 1 31 LEU QB 4.030 . 4.430 3.262 2.826 3.758 . 0 0 "[ . 1 . 2]" 1
97 1 9 TYR H 1 78 LEU H 5.500 . 6.050 4.773 4.541 4.987 . 0 0 "[ . 1 . 2]" 1
98 1 9 TYR H 1 78 LEU MD1 4.970 . 5.470 3.989 3.636 4.573 . 0 0 "[ . 1 . 2]" 1
99 1 9 TYR HA 1 9 TYR QD 3.620 . 3.980 3.000 2.753 3.140 . 0 0 "[ . 1 . 2]" 1
100 1 9 TYR HA 1 77 PHE HA 3.910 . 4.300 2.790 2.463 3.085 . 0 0 "[ . 1 . 2]" 1
101 1 9 TYR HA 1 78 LEU H 3.650 . 4.020 2.665 2.334 3.037 . 0 0 "[ . 1 . 2]" 1
102 1 9 TYR HA 1 78 LEU QB 4.550 . 5.010 3.896 3.566 4.274 . 0 0 "[ . 1 . 2]" 1
103 1 9 TYR HA 1 78 LEU MD1 4.470 . 4.920 3.757 3.469 4.136 . 0 0 "[ . 1 . 2]" 1
104 1 9 TYR HA 1 78 LEU HG 4.180 . 4.600 2.843 2.560 3.215 . 0 0 "[ . 1 . 2]" 1
105 1 9 TYR HA 1 79 GLY H 5.230 . 5.750 4.669 4.287 5.072 . 0 0 "[ . 1 . 2]" 1
106 1 9 TYR HB2 1 31 LEU HB2 4.580 . 5.040 2.464 1.861 2.938 . 0 0 "[ . 1 . 2]" 1
107 1 9 TYR HB2 1 31 LEU QB 3.820 . 4.200 2.436 1.853 2.897 . 0 0 "[ . 1 . 2]" 1
108 1 9 TYR HB2 1 31 LEU HB3 4.580 . 5.040 3.886 3.341 4.412 . 0 0 "[ . 1 . 2]" 1
109 1 9 TYR HB2 1 75 VAL HB 4.250 . 4.680 3.560 3.130 4.170 . 0 0 "[ . 1 . 2]" 1
110 1 9 TYR HB2 1 75 VAL MG1 4.440 . 4.880 3.739 3.158 4.436 . 0 0 "[ . 1 . 2]" 1
111 1 9 TYR HB2 1 75 VAL MG2 4.170 . 4.590 3.339 2.972 3.854 . 0 0 "[ . 1 . 2]" 1
112 1 9 TYR HB3 1 10 ARG H 3.820 . 4.200 2.795 2.267 3.392 . 0 0 "[ . 1 . 2]" 1
113 1 9 TYR HB3 1 75 VAL HB 3.880 . 4.270 2.294 1.808 2.798 . 0 0 "[ . 1 . 2]" 1
114 1 9 TYR HB3 1 75 VAL MG1 4.470 . 4.920 3.396 2.660 3.825 . 0 0 "[ . 1 . 2]" 1
115 1 9 TYR HB3 1 75 VAL MG2 3.780 . 4.160 2.490 2.205 2.866 . 0 0 "[ . 1 . 2]" 1
116 1 9 TYR HB3 1 76 GLU H 4.500 . 4.950 4.078 3.526 4.679 . 0 0 "[ . 1 . 2]" 1
117 1 9 TYR QD 1 33 VAL HB 3.700 . 4.070 3.251 2.561 3.808 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR QD 1 33 VAL MG2 3.290 . 3.620 2.346 2.116 2.534 . 0 0 "[ . 1 . 2]" 1
119 1 9 TYR QD 1 51 PRO QG 3.750 . 4.130 2.498 2.065 2.971 . 0 0 "[ . 1 . 2]" 1
120 1 9 TYR QD 1 57 MET ME 4.570 . 5.030 3.861 3.152 4.793 . 0 0 "[ . 1 . 2]" 1
121 1 9 TYR QD 1 75 VAL HB 4.190 . 4.610 3.779 2.809 4.324 . 0 0 "[ . 1 . 2]" 1
122 1 9 TYR QD 1 75 VAL MG2 3.350 . 3.690 2.656 2.343 3.164 . 0 0 "[ . 1 . 2]" 1
123 1 9 TYR QD 1 77 PHE H 4.620 . 5.080 4.131 3.534 4.835 . 0 0 "[ . 1 . 2]" 1
124 1 9 TYR QE 1 33 VAL H 5.500 . 6.050 3.946 2.664 4.854 . 0 0 "[ . 1 . 2]" 1
125 1 9 TYR QE 1 33 VAL HB 3.290 . 3.620 2.194 1.787 2.863 0.013 5 0 "[ . 1 . 2]" 1
126 1 9 TYR QE 1 33 VAL MG1 3.870 . 4.260 3.191 2.829 3.642 . 0 0 "[ . 1 . 2]" 1
127 1 9 TYR QE 1 33 VAL MG2 3.840 . 4.220 2.715 1.957 3.232 . 0 0 "[ . 1 . 2]" 1
128 1 9 TYR QE 1 51 PRO HB2 4.540 . 4.990 4.239 3.449 5.007 0.017 9 0 "[ . 1 . 2]" 1
129 1 9 TYR QE 1 51 PRO QB 3.780 . 4.160 2.699 1.934 3.543 . 0 0 "[ . 1 . 2]" 1
130 1 9 TYR QE 1 51 PRO HB3 4.540 . 4.990 2.735 1.944 3.655 . 0 0 "[ . 1 . 2]" 1
131 1 9 TYR QE 1 51 PRO HD2 4.190 . 4.610 4.133 3.569 4.625 0.015 2 0 "[ . 1 . 2]" 1
132 1 9 TYR QE 1 51 PRO QD 3.560 . 3.920 2.546 1.905 3.292 . 0 0 "[ . 1 . 2]" 1
133 1 9 TYR QE 1 51 PRO HD3 4.190 . 4.610 2.573 1.913 3.371 . 0 0 "[ . 1 . 2]" 1
134 1 9 TYR QE 1 51 PRO QG 4.020 . 4.420 2.715 1.900 3.375 . 0 0 "[ . 1 . 2]" 1
135 1 9 TYR QE 1 57 MET ME 4.010 . 4.410 3.289 2.624 4.251 . 0 0 "[ . 1 . 2]" 1
136 1 9 TYR QE 1 75 VAL MG2 4.050 . 4.460 4.001 3.549 4.441 . 0 0 "[ . 1 . 2]" 1
137 1 9 TYR QE 1 77 PHE HA 4.340 . 4.770 3.697 3.290 4.388 . 0 0 "[ . 1 . 2]" 1
138 1 9 TYR QE 1 77 PHE QB 5.260 . 5.790 2.969 2.301 3.680 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG H 1 10 ARG HB2 3.890 . 4.280 3.050 2.623 3.474 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG H 1 75 VAL HB 3.850 . 4.230 3.043 2.411 3.582 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG H 1 75 VAL MG1 4.630 . 5.090 4.300 3.843 4.719 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG H 1 76 GLU H 3.670 . 4.040 2.793 2.500 3.068 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG H 1 76 GLU HG2 4.390 . 4.830 3.436 3.031 4.866 0.036 8 0 "[ . 1 . 2]" 1
144 1 10 ARG H 1 78 LEU H 4.980 . 5.480 4.155 3.694 4.796 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG H 1 78 LEU MD1 5.170 . 5.690 3.787 3.308 4.624 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG H 1 78 LEU MD2 5.290 . 5.820 3.773 3.028 4.609 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG H 1 78 LEU HG 4.430 . 4.870 3.075 2.560 4.015 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG HA 1 10 ARG QG 3.500 . 3.850 2.491 2.392 2.564 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG HA 1 11 ALA H 3.160 . 3.480 2.155 2.136 2.173 . 0 0 "[ . 1 . 2]" 1
150 1 10 ARG HA 1 11 ALA MB 4.210 . 4.630 4.020 3.991 4.051 . 0 0 "[ . 1 . 2]" 1
151 1 10 ARG HA 1 30 VAL HA 3.880 . 4.270 2.563 2.218 3.278 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG HA 1 30 VAL MG1 4.700 . 5.170 4.029 3.518 4.919 . 0 0 "[ . 1 . 2]" 1
153 1 10 ARG HA 1 30 VAL MG2 4.320 . 4.750 3.687 2.974 4.564 . 0 0 "[ . 1 . 2]" 1
154 1 10 ARG HA 1 31 LEU H 4.410 . 4.850 3.302 2.870 3.675 . 0 0 "[ . 1 . 2]" 1
155 1 10 ARG HA 1 78 LEU MD1 4.590 . 5.050 3.449 3.050 4.217 . 0 0 "[ . 1 . 2]" 1
156 1 10 ARG HB2 1 78 LEU MD1 3.520 . 3.870 1.933 1.772 2.331 0.028 9 0 "[ . 1 . 2]" 1
157 1 10 ARG HB2 1 78 LEU MD2 3.860 . 4.250 2.295 1.772 3.054 0.028 16 0 "[ . 1 . 2]" 1
158 1 10 ARG HB3 1 12 LEU MD2 4.500 . 4.950 3.667 3.180 4.577 . 0 0 "[ . 1 . 2]" 1
159 1 10 ARG HB3 1 76 GLU HG2 4.370 . 4.810 2.249 1.817 4.154 . 0 0 "[ . 1 . 2]" 1
160 1 10 ARG HB3 1 76 GLU HG3 4.440 . 4.880 2.435 2.076 3.635 . 0 0 "[ . 1 . 2]" 1
161 1 10 ARG HB3 1 78 LEU MD1 4.160 . 4.580 3.383 3.069 3.759 . 0 0 "[ . 1 . 2]" 1
162 1 10 ARG HB3 1 78 LEU MD2 3.880 . 4.270 2.615 2.351 3.122 . 0 0 "[ . 1 . 2]" 1
163 1 10 ARG QD 1 30 VAL MG2 4.380 . 4.820 3.967 2.777 4.836 0.016 12 0 "[ . 1 . 2]" 1
164 1 10 ARG QD 1 78 LEU MD1 3.950 . 4.350 3.349 2.462 4.278 . 0 0 "[ . 1 . 2]" 1
165 1 10 ARG QD 1 78 LEU MD2 4.030 . 4.430 2.745 1.912 3.793 . 0 0 "[ . 1 . 2]" 1
166 1 10 ARG HD2 1 12 LEU MD2 4.600 . 5.060 4.158 2.380 5.108 0.048 14 0 "[ . 1 . 2]" 1
167 1 10 ARG HD2 1 78 LEU MD1 4.560 . 5.020 3.813 2.494 4.968 . 0 0 "[ . 1 . 2]" 1
168 1 10 ARG HD2 1 78 LEU MD2 4.860 . 5.350 3.146 1.983 4.460 . 0 0 "[ . 1 . 2]" 1
169 1 10 ARG HD3 1 12 LEU MD2 4.600 . 5.060 4.004 3.096 5.086 0.026 4 0 "[ . 1 . 2]" 1
170 1 10 ARG HD3 1 78 LEU MD1 4.560 . 5.020 4.113 2.689 4.921 . 0 0 "[ . 1 . 2]" 1
171 1 10 ARG HD3 1 78 LEU MD2 4.860 . 5.350 3.407 2.506 4.489 . 0 0 "[ . 1 . 2]" 1
172 1 10 ARG QG 1 11 ALA H 4.440 . 4.880 2.929 2.700 3.119 . 0 0 "[ . 1 . 2]" 1
173 1 10 ARG QG 1 11 ALA HA 4.920 . 5.410 4.284 4.061 4.656 . 0 0 "[ . 1 . 2]" 1
174 1 10 ARG QG 1 28 GLY QA 3.850 . 4.230 2.862 2.460 3.213 . 0 0 "[ . 1 . 2]" 1
175 1 10 ARG QG 1 30 VAL MG1 5.500 . 6.050 4.760 3.994 5.525 . 0 0 "[ . 1 . 2]" 1
176 1 10 ARG QG 1 30 VAL MG2 3.750 . 4.130 3.315 2.556 4.186 0.056 13 0 "[ . 1 . 2]" 1
177 1 10 ARG QG 1 76 GLU H 5.350 . 5.890 4.373 3.969 4.943 . 0 0 "[ . 1 . 2]" 1
178 1 10 ARG QG 1 76 GLU HG2 5.200 . 5.720 3.538 2.822 5.118 . 0 0 "[ . 1 . 2]" 1
179 1 11 ALA H 1 11 ALA MB 3.200 . 3.520 2.255 2.236 2.277 . 0 0 "[ . 1 . 2]" 1
180 1 11 ALA H 1 29 ASP H 4.720 . 5.190 3.499 3.018 4.009 . 0 0 "[ . 1 . 2]" 1
181 1 11 ALA H 1 30 VAL HA 4.560 . 5.020 3.746 3.235 4.866 . 0 0 "[ . 1 . 2]" 1
182 1 11 ALA H 1 31 LEU MD1 4.420 . 4.860 2.615 2.140 2.999 . 0 0 "[ . 1 . 2]" 1
183 1 11 ALA H 1 31 LEU MD2 5.500 . 6.050 4.760 4.132 5.302 . 0 0 "[ . 1 . 2]" 1
184 1 11 ALA H 1 75 VAL MG1 4.580 . 5.040 3.542 3.209 4.005 . 0 0 "[ . 1 . 2]" 1
185 1 11 ALA HA 1 12 LEU H 3.310 . 3.640 2.170 2.142 2.298 . 0 0 "[ . 1 . 2]" 1
186 1 11 ALA HA 1 13 TYR H 4.140 . 4.550 4.159 3.676 4.581 0.031 10 0 "[ . 1 . 2]" 1
187 1 11 ALA HA 1 75 VAL HA 3.590 . 3.950 2.536 2.142 3.237 . 0 0 "[ . 1 . 2]" 1
188 1 11 ALA HA 1 75 VAL MG1 3.400 . 3.740 1.928 1.771 2.251 0.029 2 0 "[ . 1 . 2]" 1
189 1 11 ALA HA 1 76 GLU H 4.690 . 5.160 4.021 3.673 4.569 . 0 0 "[ . 1 . 2]" 1
190 1 11 ALA MB 1 12 LEU H 4.000 . 4.400 3.163 2.647 3.381 . 0 0 "[ . 1 . 2]" 1
191 1 11 ALA MB 1 13 TYR H 3.960 . 4.360 3.682 2.959 4.178 . 0 0 "[ . 1 . 2]" 1
192 1 11 ALA MB 1 13 TYR HA 5.290 . 5.820 5.115 4.761 5.318 . 0 0 "[ . 1 . 2]" 1
193 1 11 ALA MB 1 25 LEU HB2 4.070 . 4.480 3.463 3.114 4.291 . 0 0 "[ . 1 . 2]" 1
194 1 11 ALA MB 1 25 LEU HB3 4.070 . 4.480 2.120 1.811 2.918 . 0 0 "[ . 1 . 2]" 1
195 1 11 ALA MB 1 25 LEU MD1 3.510 . 3.860 2.819 2.230 3.716 . 0 0 "[ . 1 . 2]" 1
196 1 11 ALA MB 1 25 LEU MD2 3.940 . 4.330 2.472 2.066 3.270 . 0 0 "[ . 1 . 2]" 1
197 1 11 ALA MB 1 26 LEU H 4.040 . 4.440 2.975 2.371 3.717 . 0 0 "[ . 1 . 2]" 1
198 1 11 ALA MB 1 27 PRO HA 3.620 . 3.980 3.643 2.912 4.003 0.023 15 0 "[ . 1 . 2]" 1
199 1 11 ALA MB 1 28 GLY H 3.620 . 3.980 3.366 2.433 3.860 . 0 0 "[ . 1 . 2]" 1
200 1 11 ALA MB 1 29 ASP H 3.330 . 3.660 2.716 1.999 3.379 . 0 0 "[ . 1 . 2]" 1
201 1 11 ALA MB 1 29 ASP QB 3.600 . 3.960 2.636 1.882 4.035 0.075 13 0 "[ . 1 . 2]" 1
202 1 11 ALA MB 1 31 LEU MD1 3.780 . 4.160 2.202 1.745 2.905 0.055 12 0 "[ . 1 . 2]" 1
203 1 11 ALA MB 1 31 LEU MD2 4.100 . 4.510 3.445 2.915 3.813 . 0 0 "[ . 1 . 2]" 1
204 1 11 ALA MB 1 75 VAL MG1 3.780 . 4.160 2.547 2.120 3.214 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU H 1 12 LEU QB 3.610 . 3.970 2.470 2.416 2.519 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU H 1 12 LEU MD2 3.970 . 4.370 3.272 3.037 3.511 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU H 1 12 LEU HG 3.890 . 4.280 2.363 2.150 2.642 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU H 1 13 TYR H 3.300 . 3.630 2.551 2.210 2.849 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU H 1 75 VAL HA 3.750 . 4.130 2.865 2.411 3.464 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU H 1 75 VAL MG1 4.840 . 5.320 3.496 3.156 3.791 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU HA 1 12 LEU MD1 4.470 . 4.920 3.865 3.853 3.893 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU HA 1 12 LEU MD2 3.120 . 3.430 2.042 1.990 2.096 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU HA 1 12 LEU HG 3.960 . 4.360 3.201 3.119 3.281 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU QB 1 13 TYR H 3.790 . 4.170 2.475 2.102 3.039 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU QB 1 13 TYR QD 4.070 . 4.480 2.526 2.233 2.962 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU QB 1 13 TYR QE 4.200 . 4.620 3.133 2.914 3.442 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU HB2 1 13 TYR H 4.500 . 4.950 2.523 2.127 3.140 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU HB3 1 13 TYR H 4.500 . 4.950 3.606 3.297 4.052 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU MD1 1 13 TYR H 5.050 . 5.560 4.474 4.148 4.977 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU MD1 1 13 TYR QD 4.130 . 4.540 3.719 3.448 4.227 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU MD1 1 13 TYR QE 4.630 . 5.090 3.443 3.008 3.921 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU MD1 1 76 GLU QB 4.210 . 4.630 2.920 1.931 3.958 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU MD1 1 76 GLU HG2 4.460 . 4.910 3.906 2.100 4.818 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU MD2 1 13 TYR H 5.420 . 5.960 4.593 4.489 4.702 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU MD2 1 76 GLU QB 4.060 . 4.470 2.734 1.980 3.563 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU MD2 1 76 GLU HG2 3.920 . 4.310 2.535 1.900 3.310 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU MD2 1 76 GLU HG3 4.640 . 5.100 3.807 1.881 4.582 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU HG 1 75 VAL HA 3.910 . 4.300 2.860 2.291 3.364 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU HG 1 76 GLU H 4.570 . 5.030 3.336 2.493 4.434 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU HG 1 76 GLU HG2 5.370 . 5.910 3.617 2.567 4.316 . 0 0 "[ . 1 . 2]" 1
231 1 13 TYR H 1 13 TYR QB 3.650 . 4.020 2.607 2.405 2.706 . 0 0 "[ . 1 . 2]" 1
232 1 13 TYR HA 1 13 TYR QD 3.990 . 4.390 2.815 2.671 3.045 . 0 0 "[ . 1 . 2]" 1
233 1 13 TYR HA 1 14 PRO HD3 3.620 . 3.980 2.374 2.158 2.641 . 0 0 "[ . 1 . 2]" 1
234 1 13 TYR HA 1 27 PRO QG 4.470 . 4.920 4.244 3.695 4.902 . 0 0 "[ . 1 . 2]" 1
235 1 13 TYR QB 1 14 PRO HD2 3.560 . 3.920 2.209 1.786 2.713 0.014 10 0 "[ . 1 . 2]" 1
236 1 13 TYR HB2 1 14 PRO HD2 4.070 . 4.480 3.766 3.379 4.216 . 0 0 "[ . 1 . 2]" 1
237 1 13 TYR HB3 1 14 PRO HD2 4.070 . 4.480 2.226 1.793 2.747 0.007 10 0 "[ . 1 . 2]" 1
238 1 13 TYR QD 1 14 PRO HD2 4.410 . 4.850 2.866 2.491 3.286 . 0 0 "[ . 1 . 2]" 1
239 1 14 PRO HA 1 27 PRO HD2 4.820 . 5.300 4.179 3.642 5.317 0.017 16 0 "[ . 1 . 2]" 1
240 1 14 PRO HA 1 27 PRO QD 4.000 . 4.400 2.875 2.494 3.658 . 0 0 "[ . 1 . 2]" 1
241 1 14 PRO HA 1 27 PRO HD3 4.820 . 5.300 2.930 2.540 3.727 . 0 0 "[ . 1 . 2]" 1
242 1 14 PRO HB2 1 26 LEU MD1 4.450 . 4.890 3.429 2.854 4.203 . 0 0 "[ . 1 . 2]" 1
243 1 14 PRO HB2 1 26 LEU MD2 4.680 . 5.150 4.851 4.613 5.135 . 0 0 "[ . 1 . 2]" 1
244 1 14 PRO HB3 1 26 LEU HA 4.560 . 5.020 2.747 2.259 3.108 . 0 0 "[ . 1 . 2]" 1
245 1 14 PRO HB3 1 26 LEU MD2 3.880 . 4.270 4.330 4.294 4.368 0.098 5 0 "[ . 1 . 2]" 1
246 1 14 PRO HB3 1 27 PRO HD2 4.520 . 4.970 3.074 2.473 3.566 . 0 0 "[ . 1 . 2]" 1
247 1 14 PRO HB3 1 27 PRO QD 3.870 . 4.260 1.944 1.780 2.249 0.020 12 0 "[ . 1 . 2]" 1
248 1 14 PRO HB3 1 27 PRO HD3 4.520 . 4.970 1.973 1.792 2.292 0.008 12 0 "[ . 1 . 2]" 1
249 1 14 PRO HD3 1 27 PRO QD 4.170 . 4.590 2.443 2.108 3.595 . 0 0 "[ . 1 . 2]" 1
250 1 14 PRO HD3 1 27 PRO QG 3.930 . 4.320 2.600 2.032 3.035 . 0 0 "[ . 1 . 2]" 1
251 1 14 PRO QG 1 26 LEU MD1 4.840 . 5.320 4.064 3.788 4.470 . 0 0 "[ . 1 . 2]" 1
252 1 14 PRO QG 1 27 PRO QD 4.120 . 4.530 2.908 2.525 3.112 . 0 0 "[ . 1 . 2]" 1
253 1 15 PHE QB 1 25 LEU QB 4.180 . 4.600 2.299 1.824 2.857 . 0 0 "[ . 1 . 2]" 1
254 1 15 PHE QB 1 25 LEU MD1 4.160 . 4.580 2.593 1.794 3.244 0.006 16 0 "[ . 1 . 2]" 1
255 1 15 PHE QB 1 25 LEU HG 4.690 . 5.160 3.131 2.448 3.887 . 0 0 "[ . 1 . 2]" 1
256 1 15 PHE QD 1 25 LEU QB 5.050 . 5.560 3.350 1.899 4.408 . 0 0 "[ . 1 . 2]" 1
257 1 15 PHE QD 1 25 LEU HG 5.500 . 6.050 3.633 2.493 5.330 . 0 0 "[ . 1 . 2]" 1
258 1 16 ARG HA 1 16 ARG QD 4.450 . 4.890 4.249 3.702 4.626 . 0 0 "[ . 1 . 2]" 1
259 1 16 ARG HA 1 17 ARG H 3.010 . 3.310 2.258 2.124 2.424 . 0 0 "[ . 1 . 2]" 1
260 1 16 ARG HA 1 24 GLU QG 4.140 . 4.550 2.614 1.817 3.222 . 0 0 "[ . 1 . 2]" 1
261 1 16 ARG QB 1 16 ARG QD 3.100 . 3.410 2.310 2.125 2.454 . 0 0 "[ . 1 . 2]" 1
262 1 16 ARG QB 1 24 GLU QG 4.010 . 4.410 3.501 2.034 4.443 0.033 4 0 "[ . 1 . 2]" 1
263 1 16 ARG HB2 1 16 ARG QD 3.660 . 4.030 2.630 2.323 3.129 . 0 0 "[ . 1 . 2]" 1
264 1 16 ARG HB2 1 17 ARG H 3.970 . 4.370 3.428 2.641 4.468 0.098 20 0 "[ . 1 . 2]" 1
265 1 16 ARG HB3 1 16 ARG QD 3.660 . 4.030 2.682 2.287 3.300 . 0 0 "[ . 1 . 2]" 1
266 1 16 ARG HB3 1 17 ARG H 3.970 . 4.370 3.740 2.470 4.311 . 0 0 "[ . 1 . 2]" 1
267 1 17 ARG H 1 17 ARG HB2 3.460 . 3.810 2.669 2.148 3.456 . 0 0 "[ . 1 . 2]" 1
268 1 17 ARG H 1 17 ARG QG 4.570 . 5.030 3.534 2.406 4.178 . 0 0 "[ . 1 . 2]" 1
269 1 17 ARG H 1 24 GLU HA 4.550 . 5.010 4.074 3.172 5.034 0.024 4 0 "[ . 1 . 2]" 1
270 1 17 ARG H 1 24 GLU HG2 4.690 . 5.160 3.383 1.897 5.177 0.017 5 0 "[ . 1 . 2]" 1
271 1 17 ARG H 1 24 GLU QG 3.960 . 4.360 2.802 1.890 3.798 . 0 0 "[ . 1 . 2]" 1
272 1 17 ARG H 1 24 GLU HG3 4.690 . 5.160 3.540 2.354 5.069 . 0 0 "[ . 1 . 2]" 1
273 1 17 ARG HA 1 19 ARG H 4.480 . 4.930 4.002 3.344 4.705 . 0 0 "[ . 1 . 2]" 1
274 1 17 ARG HA 1 22 ASP QB 4.460 . 4.910 4.387 1.781 4.972 0.062 4 0 "[ . 1 . 2]" 1
275 1 17 ARG HB3 1 19 ARG H 4.080 . 4.490 3.037 2.256 3.950 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG HB3 1 20 PRO QD 5.500 . 6.050 5.487 4.357 6.087 0.037 18 0 "[ . 1 . 2]" 1
277 1 17 ARG HB3 1 21 GLU H 5.110 . 5.620 5.177 4.581 5.680 0.060 16 0 "[ . 1 . 2]" 1
278 1 17 ARG HB3 1 22 ASP H 4.250 . 4.680 4.018 3.393 4.721 0.041 14 0 "[ . 1 . 2]" 1
279 1 17 ARG HB3 1 22 ASP QB 3.880 . 4.270 2.982 2.157 3.776 . 0 0 "[ . 1 . 2]" 1
280 1 17 ARG QG 1 19 ARG H 4.490 . 4.940 3.429 1.705 4.930 0.095 4 0 "[ . 1 . 2]" 1
281 1 17 ARG QG 1 22 ASP QB 4.080 . 4.490 2.247 1.708 3.452 0.092 17 0 "[ . 1 . 2]" 1
282 1 18 GLU HB2 1 19 ARG H 4.500 . 4.950 3.328 2.293 4.550 . 0 0 "[ . 1 . 2]" 1
283 1 18 GLU HB3 1 19 ARG H 4.500 . 4.950 3.594 2.422 4.474 . 0 0 "[ . 1 . 2]" 1
284 1 18 GLU QG 1 19 ARG H 5.010 . 5.510 3.756 2.158 4.592 . 0 0 "[ . 1 . 2]" 1
285 1 19 ARG H 1 22 ASP QB 4.810 . 5.290 4.383 1.903 5.317 0.027 18 0 "[ . 1 . 2]" 1
286 1 19 ARG HA 1 20 PRO QD 3.630 . 3.990 2.027 1.802 2.259 . 0 0 "[ . 1 . 2]" 1
287 1 19 ARG HA 1 21 GLU H 4.680 . 5.150 3.894 3.560 4.161 . 0 0 "[ . 1 . 2]" 1
288 1 20 PRO HA 1 22 ASP H 4.740 . 5.210 3.880 3.385 4.639 . 0 0 "[ . 1 . 2]" 1
289 1 20 PRO QB 1 21 GLU H 3.950 . 4.350 3.551 2.761 3.813 . 0 0 "[ . 1 . 2]" 1
290 1 20 PRO HB2 1 21 GLU H 4.510 . 4.960 3.742 2.807 4.071 . 0 0 "[ . 1 . 2]" 1
291 1 20 PRO HB3 1 21 GLU H 4.510 . 4.960 4.478 4.097 4.600 . 0 0 "[ . 1 . 2]" 1
292 1 20 PRO QD 1 21 GLU H 4.030 . 4.430 2.992 2.619 3.304 . 0 0 "[ . 1 . 2]" 1
293 1 20 PRO QG 1 21 GLU H 3.760 . 4.140 3.586 3.082 4.256 0.116 7 0 "[ . 1 . 2]" 1
294 1 21 GLU H 1 21 GLU QB 3.330 . 3.660 2.391 2.188 2.887 . 0 0 "[ . 1 . 2]" 1
295 1 21 GLU H 1 21 GLU QG 4.590 . 5.050 3.215 1.940 4.051 . 0 0 "[ . 1 . 2]" 1
296 1 21 GLU H 1 22 ASP H 3.720 . 4.090 2.629 2.240 2.924 . 0 0 "[ . 1 . 2]" 1
297 1 21 GLU HA 1 21 GLU QG 3.650 . 4.020 2.640 2.357 3.500 . 0 0 "[ . 1 . 2]" 1
298 1 21 GLU QB 1 22 ASP H 3.950 . 4.350 2.834 2.256 3.911 . 0 0 "[ . 1 . 2]" 1
299 1 21 GLU HB2 1 22 ASP H 4.540 . 4.990 3.453 2.286 4.268 . 0 0 "[ . 1 . 2]" 1
300 1 21 GLU HB3 1 22 ASP H 4.540 . 4.990 3.420 2.287 4.541 . 0 0 "[ . 1 . 2]" 1
301 1 22 ASP H 1 22 ASP QB 3.360 . 3.700 2.397 2.192 2.688 . 0 0 "[ . 1 . 2]" 1
302 1 22 ASP HA 1 23 LEU H 3.360 . 3.700 2.715 2.363 3.100 . 0 0 "[ . 1 . 2]" 1
303 1 22 ASP HA 1 69 ASP H 4.060 . 4.470 3.426 2.466 4.480 0.010 13 0 "[ . 1 . 2]" 1
304 1 22 ASP HA 1 69 ASP QB 4.250 . 4.680 3.648 2.743 4.725 0.045 8 0 "[ . 1 . 2]" 1
305 1 22 ASP QB 1 23 LEU H 4.110 . 4.520 2.246 1.757 3.564 0.043 19 0 "[ . 1 . 2]" 1
306 1 23 LEU H 1 23 LEU HB2 4.130 . 4.540 3.000 2.700 3.329 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU H 1 23 LEU HB3 4.130 . 4.540 2.657 2.421 3.050 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU H 1 23 LEU MD1 5.010 . 5.510 4.306 4.190 4.396 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU H 1 23 LEU MD2 5.370 . 5.910 4.521 4.351 4.822 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU HA 1 23 LEU MD1 3.360 . 3.700 2.056 1.945 2.146 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU HA 1 24 GLU H 3.390 . 3.730 2.189 2.132 2.313 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU QB 1 70 PHE QB 4.280 . 4.710 2.221 1.779 2.953 0.021 1 0 "[ . 1 . 2]" 1
313 1 23 LEU MD1 1 24 GLU H 4.020 . 4.420 2.304 1.819 2.673 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU MD1 1 61 ASN H 4.050 . 4.460 3.459 2.924 4.381 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU MD1 1 61 ASN QB 3.870 . 4.260 2.380 1.895 3.127 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU MD1 1 66 GLN H 4.540 . 4.990 3.868 3.040 4.880 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU MD1 1 66 GLN HB2 3.590 . 3.950 2.678 1.827 3.985 0.035 10 0 "[ . 1 . 2]" 1
318 1 23 LEU MD1 1 66 GLN HB3 4.210 . 4.630 3.291 2.503 4.350 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU MD1 1 67 ARG H 4.660 . 5.130 4.189 3.591 5.151 0.021 10 0 "[ . 1 . 2]" 1
320 1 23 LEU MD1 1 67 ARG HA 4.040 . 4.440 3.640 2.820 4.449 0.009 18 0 "[ . 1 . 2]" 1
321 1 23 LEU MD1 1 68 GLY H 4.090 . 4.500 3.524 2.641 4.536 0.036 4 0 "[ . 1 . 2]" 1
322 1 23 LEU MD1 1 68 GLY QA 4.900 . 5.390 2.927 2.023 4.258 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU MD2 1 31 LEU MD1 4.750 . 5.220 4.380 3.961 5.015 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU MD2 1 31 LEU MD2 3.720 . 4.090 2.437 1.897 3.480 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU MD2 1 59 GLY H 4.580 . 5.040 3.325 2.916 3.870 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU MD2 1 60 LEU H 5.050 . 5.560 4.585 3.876 5.090 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU MD2 1 60 LEU HA 4.250 . 4.680 3.645 3.131 4.210 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU MD2 1 61 ASN H 3.500 . 3.850 2.915 2.305 3.276 . 0 0 "[ . 1 . 2]" 1
329 1 23 LEU MD2 1 61 ASN HA 4.380 . 4.820 3.668 3.387 4.140 . 0 0 "[ . 1 . 2]" 1
330 1 23 LEU MD2 1 61 ASN HB2 4.030 . 4.430 2.140 1.799 3.302 0.001 15 0 "[ . 1 . 2]" 1
331 1 23 LEU MD2 1 61 ASN QB 3.460 . 3.810 2.100 1.772 3.223 0.028 20 0 "[ . 1 . 2]" 1
332 1 23 LEU MD2 1 61 ASN HB3 4.030 . 4.430 3.191 2.163 4.498 0.068 17 0 "[ . 1 . 2]" 1
333 1 23 LEU MD2 1 61 ASN QD 4.340 . 4.770 3.503 2.929 4.044 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU MD2 1 66 GLN H 5.030 . 5.530 5.074 4.400 5.546 0.016 15 0 "[ . 1 . 2]" 1
335 1 23 LEU MD2 1 67 ARG HA 4.930 . 5.420 3.425 2.771 3.688 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD2 1 68 GLY H 4.140 . 4.550 2.684 2.160 3.702 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU MD2 1 68 GLY QA 3.960 . 4.360 3.200 2.232 4.014 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU MD2 1 70 PHE QB 4.430 . 4.870 2.469 1.935 3.617 . 0 0 "[ . 1 . 2]" 1
339 1 23 LEU MD2 1 70 PHE QD 4.390 . 4.830 2.428 1.941 3.410 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU HG 1 24 GLU H 4.660 . 5.130 3.113 2.417 3.504 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLU H 1 24 GLU HB2 3.700 . 4.070 2.457 2.139 2.692 . 0 0 "[ . 1 . 2]" 1
342 1 24 GLU H 1 24 GLU HB3 3.700 . 4.070 3.527 2.664 3.728 . 0 0 "[ . 1 . 2]" 1
343 1 24 GLU H 1 24 GLU QG 4.470 . 4.920 2.917 2.084 3.995 . 0 0 "[ . 1 . 2]" 1
344 1 25 LEU HA 1 25 LEU MD2 3.720 . 4.090 2.054 1.951 2.259 . 0 0 "[ . 1 . 2]" 1
345 1 25 LEU HA 1 26 LEU H 3.230 . 3.550 2.211 2.147 2.260 . 0 0 "[ . 1 . 2]" 1
346 1 25 LEU HA 1 61 ASN HD21 4.520 . 4.970 3.498 2.323 4.236 . 0 0 "[ . 1 . 2]" 1
347 1 25 LEU HA 1 61 ASN QD 3.880 . 4.270 3.009 2.078 3.885 . 0 0 "[ . 1 . 2]" 1
348 1 25 LEU HA 1 61 ASN HD22 4.520 . 4.970 3.327 2.342 4.517 . 0 0 "[ . 1 . 2]" 1
349 1 25 LEU QB 1 26 LEU H 3.630 . 3.990 2.986 2.728 3.315 . 0 0 "[ . 1 . 2]" 1
350 1 25 LEU HB2 1 26 LEU H 4.330 . 4.760 4.051 3.835 4.273 . 0 0 "[ . 1 . 2]" 1
351 1 25 LEU HB3 1 26 LEU H 4.330 . 4.760 3.075 2.792 3.453 . 0 0 "[ . 1 . 2]" 1
352 1 25 LEU MD1 1 31 LEU MD1 4.970 . 5.470 3.925 3.182 4.409 . 0 0 "[ . 1 . 2]" 1
353 1 25 LEU MD1 1 31 LEU MD2 4.090 . 4.500 3.407 2.234 4.053 . 0 0 "[ . 1 . 2]" 1
354 1 25 LEU MD1 1 70 PHE HB2 4.150 . 4.570 2.548 1.869 3.286 . 0 0 "[ . 1 . 2]" 1
355 1 25 LEU MD1 1 70 PHE HB3 4.150 . 4.570 3.802 2.882 4.567 . 0 0 "[ . 1 . 2]" 1
356 1 25 LEU MD1 1 70 PHE QD 4.560 . 5.020 3.015 2.237 4.112 . 0 0 "[ . 1 . 2]" 1
357 1 25 LEU MD1 1 71 PRO QD 4.170 . 4.590 2.779 1.788 3.919 0.012 3 0 "[ . 1 . 2]" 1
358 1 25 LEU MD1 1 74 TYR QB 4.300 . 4.730 2.527 1.847 4.749 0.019 16 0 "[ . 1 . 2]" 1
359 1 25 LEU MD1 1 74 TYR QD 4.330 . 4.760 3.246 1.918 4.413 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU MD2 1 26 LEU H 4.360 . 4.800 3.611 3.441 3.770 . 0 0 "[ . 1 . 2]" 1
361 1 25 LEU MD2 1 29 ASP QB 4.600 . 5.060 4.307 3.342 5.082 0.022 13 0 "[ . 1 . 2]" 1
362 1 25 LEU MD2 1 31 LEU MD1 3.140 . 3.450 2.549 2.263 2.810 . 0 0 "[ . 1 . 2]" 1
363 1 25 LEU MD2 1 31 LEU MD2 3.220 . 3.540 1.959 1.788 2.096 0.012 18 0 "[ . 1 . 2]" 1
364 1 25 LEU MD2 1 31 LEU HG 4.220 . 4.640 3.582 2.773 4.031 . 0 0 "[ . 1 . 2]" 1
365 1 25 LEU MD2 1 61 ASN HD21 4.430 . 4.870 2.986 1.923 4.117 . 0 0 "[ . 1 . 2]" 1
366 1 25 LEU MD2 1 61 ASN QD 3.820 . 4.200 2.808 1.895 3.751 . 0 0 "[ . 1 . 2]" 1
367 1 25 LEU MD2 1 61 ASN HD22 4.430 . 4.870 3.665 2.668 4.801 . 0 0 "[ . 1 . 2]" 1
368 1 25 LEU MD2 1 70 PHE HA 5.260 . 5.790 4.360 3.658 5.281 . 0 0 "[ . 1 . 2]" 1
369 1 25 LEU MD2 1 70 PHE QB 4.170 . 4.590 2.282 1.815 3.138 . 0 0 "[ . 1 . 2]" 1
370 1 25 LEU HG 1 31 LEU MD1 5.500 . 6.050 5.175 4.849 5.549 . 0 0 "[ . 1 . 2]" 1
371 1 26 LEU H 1 26 LEU HB2 3.770 . 4.150 2.484 2.413 2.548 . 0 0 "[ . 1 . 2]" 1
372 1 26 LEU H 1 26 LEU MD1 4.480 . 4.930 4.054 3.954 4.160 . 0 0 "[ . 1 . 2]" 1
373 1 26 LEU H 1 26 LEU MD2 4.510 . 4.960 2.742 2.606 2.897 . 0 0 "[ . 1 . 2]" 1
374 1 26 LEU H 1 26 LEU HG 4.590 . 5.050 4.465 4.346 4.575 . 0 0 "[ . 1 . 2]" 1
375 1 26 LEU H 1 29 ASP H 4.970 . 5.470 4.420 4.058 4.887 . 0 0 "[ . 1 . 2]" 1
376 1 26 LEU H 1 29 ASP QB 3.980 . 4.380 3.020 2.417 4.150 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU H 1 61 ASN QD 4.580 . 5.040 3.108 2.195 3.727 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU HA 1 26 LEU MD1 4.170 . 4.590 1.965 1.909 2.039 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU HA 1 26 LEU MD2 3.310 . 3.640 2.701 2.549 2.830 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU HA 1 27 PRO HD2 3.750 . 4.130 2.481 2.317 3.037 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU HA 1 27 PRO QD 3.260 . 3.590 2.157 1.994 2.217 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU HA 1 27 PRO HD3 3.750 . 4.130 2.397 2.022 2.485 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU HB3 1 26 LEU MD1 3.340 . 3.670 2.395 2.348 2.433 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU HB3 1 26 LEU MD2 3.460 . 3.810 3.218 3.212 3.221 . 0 0 "[ . 1 . 2]" 1
385 1 26 LEU HB3 1 27 PRO HD2 4.270 . 4.700 2.285 2.063 2.610 . 0 0 "[ . 1 . 2]" 1
386 1 26 LEU HB3 1 27 PRO QD 3.600 . 3.960 2.261 2.049 2.573 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU HB3 1 27 PRO HD3 4.270 . 4.700 3.667 3.103 3.898 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU HB3 1 63 ARG QB 5.280 . 5.810 4.514 3.862 5.510 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU HB3 1 63 ARG HD2 4.290 . 4.720 3.837 2.626 4.736 0.016 15 0 "[ . 1 . 2]" 1
390 1 26 LEU HB3 1 63 ARG QD 3.770 . 4.150 3.412 2.563 4.074 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU HB3 1 63 ARG HD3 4.290 . 4.720 4.067 2.761 4.781 0.061 9 0 "[ . 1 . 2]" 1
392 1 26 LEU MD1 1 27 PRO QB 5.150 . 5.670 4.884 4.748 5.073 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU MD1 1 27 PRO HD2 4.550 . 5.010 2.232 2.038 2.695 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU MD1 1 27 PRO QD 3.980 . 4.380 2.157 1.999 2.358 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU MD1 1 27 PRO HD3 4.550 . 5.010 2.917 2.603 3.207 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU MD1 1 27 PRO QG 4.390 . 4.830 3.654 3.446 3.907 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU MD2 1 27 PRO HD2 4.400 . 4.840 4.259 4.107 4.708 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU MD2 1 27 PRO QD 3.800 . 4.180 3.935 3.824 4.046 . 0 0 "[ . 1 . 2]" 1
399 1 26 LEU MD2 1 27 PRO HD3 4.400 . 4.840 4.650 4.299 4.840 0.000 11 0 "[ . 1 . 2]" 1
400 1 26 LEU MD2 1 63 ARG QB 3.870 . 4.260 3.149 2.198 4.131 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU HG 1 63 ARG QB 4.280 . 4.710 3.817 2.465 4.793 0.083 11 0 "[ . 1 . 2]" 1
402 1 26 LEU HG 1 63 ARG HD2 4.210 . 4.630 3.619 2.697 4.709 0.079 16 0 "[ . 1 . 2]" 1
403 1 26 LEU HG 1 63 ARG HD3 4.210 . 4.630 3.336 1.905 4.420 . 0 0 "[ . 1 . 2]" 1
404 1 27 PRO HA 1 28 GLY H 3.080 . 3.390 2.182 2.153 2.221 . 0 0 "[ . 1 . 2]" 1
405 1 27 PRO HA 1 29 ASP H 4.230 . 4.650 3.817 3.602 4.347 . 0 0 "[ . 1 . 2]" 1
406 1 27 PRO QB 1 28 GLY H 4.020 . 4.420 3.554 3.328 3.698 . 0 0 "[ . 1 . 2]" 1
407 1 28 GLY H 1 29 ASP H 3.570 . 3.930 2.437 2.170 2.683 . 0 0 "[ . 1 . 2]" 1
408 1 29 ASP H 1 29 ASP QB 3.260 . 3.590 2.400 2.139 2.919 . 0 0 "[ . 1 . 2]" 1
409 1 29 ASP H 1 30 VAL H 4.710 . 5.180 4.586 4.492 4.628 . 0 0 "[ . 1 . 2]" 1
410 1 29 ASP HA 1 30 VAL H 3.010 . 3.310 2.319 2.144 2.549 . 0 0 "[ . 1 . 2]" 1
411 1 29 ASP HA 1 30 VAL MG2 4.280 . 4.710 3.435 3.206 3.716 . 0 0 "[ . 1 . 2]" 1
412 1 29 ASP QB 1 30 VAL H 3.780 . 4.160 3.136 2.192 3.636 . 0 0 "[ . 1 . 2]" 1
413 1 29 ASP QB 1 30 VAL MG2 4.550 . 5.010 4.635 4.226 4.840 . 0 0 "[ . 1 . 2]" 1
414 1 29 ASP QB 1 31 LEU MD1 4.140 . 4.550 2.912 2.030 4.002 . 0 0 "[ . 1 . 2]" 1
415 1 29 ASP QB 1 61 ASN HD21 4.520 . 4.970 3.751 1.959 4.764 . 0 0 "[ . 1 . 2]" 1
416 1 29 ASP QB 1 61 ASN QD 3.780 . 4.160 2.902 1.886 3.715 . 0 0 "[ . 1 . 2]" 1
417 1 29 ASP QB 1 61 ASN HD22 4.520 . 4.970 3.060 2.461 3.895 . 0 0 "[ . 1 . 2]" 1
418 1 30 VAL H 1 30 VAL HB 3.260 . 3.590 2.593 2.494 2.717 . 0 0 "[ . 1 . 2]" 1
419 1 30 VAL H 1 30 VAL MG1 4.340 . 4.770 3.845 3.792 3.900 . 0 0 "[ . 1 . 2]" 1
420 1 30 VAL H 1 30 VAL MG2 3.360 . 3.700 2.539 2.329 2.782 . 0 0 "[ . 1 . 2]" 1
421 1 30 VAL H 1 62 GLU QB 4.180 . 4.600 3.029 2.220 4.114 . 0 0 "[ . 1 . 2]" 1
422 1 30 VAL HA 1 30 VAL MG1 3.510 . 3.860 2.409 2.384 2.438 . 0 0 "[ . 1 . 2]" 1
423 1 30 VAL HA 1 30 VAL MG2 3.450 . 3.790 2.412 2.377 2.447 . 0 0 "[ . 1 . 2]" 1
424 1 30 VAL HA 1 31 LEU H 3.210 . 3.530 2.179 2.150 2.245 . 0 0 "[ . 1 . 2]" 1
425 1 30 VAL HA 1 31 LEU MD1 4.410 . 4.850 2.930 2.650 3.182 . 0 0 "[ . 1 . 2]" 1
426 1 30 VAL HB 1 31 LEU H 4.630 . 5.090 4.231 4.033 4.462 . 0 0 "[ . 1 . 2]" 1
427 1 30 VAL MG1 1 31 LEU H 3.400 . 3.740 2.818 2.385 3.430 . 0 0 "[ . 1 . 2]" 1
428 1 30 VAL MG1 1 31 LEU HA 4.990 . 5.490 3.804 3.497 4.292 . 0 0 "[ . 1 . 2]" 1
429 1 30 VAL MG1 1 31 LEU QB 4.650 . 5.120 4.395 4.118 4.756 . 0 0 "[ . 1 . 2]" 1
430 1 30 VAL MG1 1 62 GLU QB 4.470 . 4.920 4.229 3.156 5.000 0.080 2 0 "[ . 1 . 2]" 1
431 1 30 VAL MG1 1 62 GLU HG3 3.910 . 4.300 3.449 2.635 4.243 . 0 0 "[ . 1 . 2]" 1
432 1 30 VAL MG1 1 78 LEU QB 4.870 . 5.360 4.158 3.808 4.900 . 0 0 "[ . 1 . 2]" 1
433 1 30 VAL MG2 1 31 LEU H 4.440 . 4.880 4.096 3.905 4.311 . 0 0 "[ . 1 . 2]" 1
434 1 30 VAL MG2 1 78 LEU MD1 3.580 . 3.940 2.572 2.044 3.428 . 0 0 "[ . 1 . 2]" 1
435 1 31 LEU H 1 31 LEU QB 3.590 . 3.950 2.503 2.358 2.637 . 0 0 "[ . 1 . 2]" 1
436 1 31 LEU H 1 31 LEU MD1 3.990 . 4.390 2.207 1.799 2.490 0.001 6 0 "[ . 1 . 2]" 1
437 1 31 LEU H 1 31 LEU HG 4.530 . 4.980 3.771 3.365 3.983 . 0 0 "[ . 1 . 2]" 1
438 1 31 LEU HA 1 31 LEU MD1 3.860 . 4.250 3.082 2.828 3.257 . 0 0 "[ . 1 . 2]" 1
439 1 31 LEU HA 1 31 LEU MD2 3.820 . 4.200 3.709 3.636 3.779 . 0 0 "[ . 1 . 2]" 1
440 1 31 LEU HA 1 31 LEU HG 4.160 . 4.580 2.506 2.443 2.553 . 0 0 "[ . 1 . 2]" 1
441 1 31 LEU HA 1 32 VAL H 3.240 . 3.560 2.161 2.123 2.230 . 0 0 "[ . 1 . 2]" 1
442 1 31 LEU HA 1 32 VAL MG2 4.520 . 4.970 3.570 3.419 3.675 . 0 0 "[ . 1 . 2]" 1
443 1 31 LEU HA 1 61 ASN HA 3.870 . 4.260 2.749 2.161 3.372 . 0 0 "[ . 1 . 2]" 1
444 1 31 LEU HA 1 62 GLU H 4.170 . 4.590 3.375 2.585 4.127 . 0 0 "[ . 1 . 2]" 1
445 1 31 LEU QB 1 32 VAL H 3.650 . 4.020 3.231 2.921 3.460 . 0 0 "[ . 1 . 2]" 1
446 1 31 LEU QB 1 33 VAL MG2 4.050 . 4.460 3.096 2.774 3.472 . 0 0 "[ . 1 . 2]" 1
447 1 31 LEU QB 1 60 LEU H 4.540 . 4.990 3.819 2.600 4.300 . 0 0 "[ . 1 . 2]" 1
448 1 31 LEU QB 1 70 PHE QE 4.840 . 5.320 3.324 3.039 3.616 . 0 0 "[ . 1 . 2]" 1
449 1 31 LEU QB 1 70 PHE HZ 5.140 . 5.650 3.429 2.980 3.933 . 0 0 "[ . 1 . 2]" 1
450 1 31 LEU MD1 1 61 ASN HA 3.850 . 4.230 3.724 3.408 4.212 . 0 0 "[ . 1 . 2]" 1
451 1 31 LEU MD1 1 61 ASN QB 4.380 . 4.820 4.218 3.886 4.835 0.015 12 0 "[ . 1 . 2]" 1
452 1 31 LEU MD1 1 62 GLU H 4.760 . 5.240 4.173 3.640 4.719 . 0 0 "[ . 1 . 2]" 1
453 1 31 LEU MD1 1 62 GLU QB 5.340 . 5.870 4.947 4.268 5.638 . 0 0 "[ . 1 . 2]" 1
454 1 31 LEU MD1 1 75 VAL MG1 4.220 . 4.640 2.741 2.394 3.136 . 0 0 "[ . 1 . 2]" 1
455 1 31 LEU MD2 1 59 GLY H 5.500 . 6.050 4.782 4.194 5.302 . 0 0 "[ . 1 . 2]" 1
456 1 31 LEU MD2 1 59 GLY QA 4.230 . 4.650 3.848 2.810 4.304 . 0 0 "[ . 1 . 2]" 1
457 1 31 LEU MD2 1 61 ASN HA 3.980 . 4.380 3.675 3.016 4.402 0.022 12 0 "[ . 1 . 2]" 1
458 1 31 LEU MD2 1 61 ASN QD 4.500 . 4.950 2.923 2.052 4.340 . 0 0 "[ . 1 . 2]" 1
459 1 31 LEU MD2 1 70 PHE QB 4.430 . 4.870 2.994 2.627 3.565 . 0 0 "[ . 1 . 2]" 1
460 1 31 LEU MD2 1 70 PHE QE 4.490 . 4.940 2.974 2.676 3.179 . 0 0 "[ . 1 . 2]" 1
461 1 31 LEU MD2 1 70 PHE HZ 5.050 . 5.560 3.524 2.971 3.922 . 0 0 "[ . 1 . 2]" 1
462 1 31 LEU MD2 1 75 VAL MG1 3.680 . 4.050 2.686 1.766 3.450 0.034 2 0 "[ . 1 . 2]" 1
463 1 31 LEU HG 1 32 VAL H 4.410 . 4.850 4.411 4.201 4.614 . 0 0 "[ . 1 . 2]" 1
464 1 32 VAL H 1 32 VAL HB 3.570 . 3.930 2.558 2.519 2.649 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL H 1 32 VAL MG2 3.750 . 4.130 2.361 2.203 2.497 . 0 0 "[ . 1 . 2]" 1
466 1 32 VAL H 1 33 VAL MG2 5.170 . 5.690 4.264 4.061 4.492 . 0 0 "[ . 1 . 2]" 1
467 1 32 VAL H 1 60 LEU H 3.700 . 4.070 3.155 2.706 3.524 . 0 0 "[ . 1 . 2]" 1
468 1 32 VAL H 1 60 LEU QB 4.280 . 4.710 3.026 2.642 3.487 . 0 0 "[ . 1 . 2]" 1
469 1 32 VAL HA 1 32 VAL MG2 3.530 . 3.880 2.425 2.392 2.501 . 0 0 "[ . 1 . 2]" 1
470 1 32 VAL HA 1 33 VAL H 3.110 . 3.420 2.167 2.152 2.194 . 0 0 "[ . 1 . 2]" 1
471 1 32 VAL HA 1 33 VAL MG2 4.530 . 4.980 3.732 3.585 3.848 . 0 0 "[ . 1 . 2]" 1
472 1 32 VAL HB 1 33 VAL H 5.350 . 5.890 4.314 4.225 4.404 . 0 0 "[ . 1 . 2]" 1
473 1 32 VAL HB 1 60 LEU H 4.080 . 4.490 3.683 3.285 4.232 . 0 0 "[ . 1 . 2]" 1
474 1 32 VAL HB 1 60 LEU HB2 4.290 . 4.720 3.959 3.560 4.401 . 0 0 "[ . 1 . 2]" 1
475 1 32 VAL HB 1 60 LEU QB 3.580 . 3.940 2.416 2.094 3.003 . 0 0 "[ . 1 . 2]" 1
476 1 32 VAL HB 1 60 LEU HB3 4.290 . 4.720 2.439 2.107 3.061 . 0 0 "[ . 1 . 2]" 1
477 1 32 VAL HB 1 60 LEU MD2 3.660 . 4.030 3.064 2.593 3.743 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL MG1 1 33 VAL H 3.670 . 4.040 2.973 2.779 3.209 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL MG1 1 33 VAL MG2 4.820 . 5.300 4.460 4.315 4.621 . 0 0 "[ . 1 . 2]" 1
480 1 32 VAL MG1 1 60 LEU QB 4.340 . 4.770 3.683 3.414 4.277 . 0 0 "[ . 1 . 2]" 1
481 1 32 VAL MG1 1 81 LEU HG 5.500 . 6.050 4.050 3.497 4.729 . 0 0 "[ . 1 . 2]" 1
482 1 32 VAL MG2 1 33 VAL H 4.210 . 4.630 4.171 4.086 4.319 . 0 0 "[ . 1 . 2]" 1
483 1 32 VAL MG2 1 60 LEU MD2 4.020 . 4.420 3.448 2.941 4.162 . 0 0 "[ . 1 . 2]" 1
484 1 32 VAL MG2 1 62 GLU HG2 4.240 . 4.660 3.020 2.249 3.684 . 0 0 "[ . 1 . 2]" 1
485 1 32 VAL MG2 1 62 GLU HG3 3.830 . 4.210 3.310 2.386 4.234 0.024 2 0 "[ . 1 . 2]" 1
486 1 32 VAL MG2 1 81 LEU MD2 3.370 . 3.710 2.882 2.108 3.716 0.006 11 0 "[ . 1 . 2]" 1
487 1 33 VAL H 1 33 VAL HB 3.650 . 4.020 2.641 2.562 2.784 . 0 0 "[ . 1 . 2]" 1
488 1 33 VAL H 1 33 VAL MG2 3.660 . 4.030 2.632 2.429 2.838 . 0 0 "[ . 1 . 2]" 1
489 1 33 VAL HA 1 33 VAL MG1 3.560 . 3.920 2.407 2.384 2.446 . 0 0 "[ . 1 . 2]" 1
490 1 33 VAL HA 1 33 VAL MG2 3.550 . 3.900 2.415 2.379 2.447 . 0 0 "[ . 1 . 2]" 1
491 1 33 VAL HA 1 34 SER H 3.020 . 3.320 2.184 2.149 2.236 . 0 0 "[ . 1 . 2]" 1
492 1 33 VAL HA 1 37 ALA MB 4.760 . 5.240 4.229 3.583 4.793 . 0 0 "[ . 1 . 2]" 1
493 1 33 VAL HA 1 59 GLY QA 4.320 . 4.750 2.766 2.366 3.162 . 0 0 "[ . 1 . 2]" 1
494 1 33 VAL MG1 1 34 SER H 3.490 . 3.840 2.792 2.389 3.269 . 0 0 "[ . 1 . 2]" 1
495 1 33 VAL MG1 1 34 SER QB 4.720 . 5.190 4.185 3.758 4.506 . 0 0 "[ . 1 . 2]" 1
496 1 33 VAL MG1 1 37 ALA MB 3.080 . 3.390 2.451 2.186 3.067 . 0 0 "[ . 1 . 2]" 1
497 1 33 VAL MG1 1 38 LEU HB2 5.500 . 6.050 4.605 4.231 4.859 . 0 0 "[ . 1 . 2]" 1
498 1 33 VAL MG1 1 38 LEU MD1 3.140 . 3.450 3.187 2.701 3.481 0.031 2 0 "[ . 1 . 2]" 1
499 1 33 VAL MG1 1 38 LEU MD2 3.490 . 3.840 2.345 2.115 2.704 . 0 0 "[ . 1 . 2]" 1
500 1 33 VAL MG1 1 38 LEU HG 3.470 . 3.820 2.548 2.243 2.814 . 0 0 "[ . 1 . 2]" 1
501 1 33 VAL MG1 1 58 PRO QD 4.440 . 4.880 3.660 3.201 4.276 . 0 0 "[ . 1 . 2]" 1
502 1 33 VAL MG1 1 58 PRO QG 5.350 . 5.890 3.813 3.053 4.829 . 0 0 "[ . 1 . 2]" 1
503 1 33 VAL MG1 1 70 PHE QE 4.860 . 5.350 4.034 3.607 4.463 . 0 0 "[ . 1 . 2]" 1
504 1 33 VAL MG1 1 70 PHE HZ 5.310 . 5.840 4.150 3.694 4.644 . 0 0 "[ . 1 . 2]" 1
505 1 33 VAL MG2 1 57 MET HB2 5.440 . 5.980 3.686 3.133 4.200 . 0 0 "[ . 1 . 2]" 1
506 1 33 VAL MG2 1 59 GLY HA2 4.090 . 4.500 2.647 2.194 3.129 . 0 0 "[ . 1 . 2]" 1
507 1 33 VAL MG2 1 59 GLY HA3 4.090 . 4.500 2.069 1.815 2.396 . 0 0 "[ . 1 . 2]" 1
508 1 33 VAL MG2 1 60 LEU H 4.320 . 4.750 3.453 3.108 3.730 . 0 0 "[ . 1 . 2]" 1
509 1 33 VAL MG2 1 70 PHE QE 3.420 . 3.760 2.354 2.003 2.689 . 0 0 "[ . 1 . 2]" 1
510 1 33 VAL MG2 1 70 PHE HZ 3.510 . 3.860 2.175 1.875 2.544 . 0 0 "[ . 1 . 2]" 1
511 1 34 SER H 1 34 SER HB2 4.000 . 4.400 3.055 2.463 3.681 . 0 0 "[ . 1 . 2]" 1
512 1 34 SER H 1 34 SER QB 3.400 . 3.740 2.500 2.272 2.698 . 0 0 "[ . 1 . 2]" 1
513 1 34 SER H 1 34 SER HB3 4.000 . 4.400 3.054 2.419 3.671 . 0 0 "[ . 1 . 2]" 1
514 1 34 SER H 1 37 ALA MB 3.960 . 4.360 3.356 2.825 4.227 . 0 0 "[ . 1 . 2]" 1
515 1 34 SER HA 1 35 ARG H 3.250 . 3.580 2.258 2.181 2.366 . 0 0 "[ . 1 . 2]" 1
516 1 34 SER QB 1 35 ARG H 3.750 . 4.130 2.974 2.506 3.566 . 0 0 "[ . 1 . 2]" 1
517 1 34 SER QB 1 36 ALA H 4.350 . 4.790 2.862 2.479 3.600 . 0 0 "[ . 1 . 2]" 1
518 1 34 SER QB 1 36 ALA MB 4.340 . 4.770 3.005 2.700 3.518 . 0 0 "[ . 1 . 2]" 1
519 1 34 SER QB 1 37 ALA H 3.950 . 4.350 3.144 2.578 3.854 . 0 0 "[ . 1 . 2]" 1
520 1 34 SER QB 1 37 ALA MB 4.050 . 4.460 3.427 2.544 4.299 . 0 0 "[ . 1 . 2]" 1
521 1 34 SER HB2 1 37 ALA H 4.590 . 5.050 3.441 2.667 4.695 . 0 0 "[ . 1 . 2]" 1
522 1 34 SER HB3 1 37 ALA H 4.590 . 5.050 3.936 2.810 4.805 . 0 0 "[ . 1 . 2]" 1
523 1 35 ARG H 1 35 ARG HB2 3.710 . 4.080 2.829 2.303 3.635 . 0 0 "[ . 1 . 2]" 1
524 1 35 ARG H 1 35 ARG QB 3.250 . 3.580 2.394 2.204 2.636 . 0 0 "[ . 1 . 2]" 1
525 1 35 ARG H 1 35 ARG HB3 3.710 . 4.080 2.860 2.457 3.645 . 0 0 "[ . 1 . 2]" 1
526 1 35 ARG HA 1 35 ARG QD 4.330 . 4.760 3.909 2.141 4.593 . 0 0 "[ . 1 . 2]" 1
527 1 35 ARG HA 1 38 LEU H 3.980 . 4.380 3.231 2.605 3.658 . 0 0 "[ . 1 . 2]" 1
528 1 35 ARG HA 1 38 LEU HB2 4.110 . 4.520 2.834 2.022 3.380 . 0 0 "[ . 1 . 2]" 1
529 1 35 ARG HA 1 38 LEU HB3 4.540 . 4.990 4.380 3.629 5.006 0.016 14 0 "[ . 1 . 2]" 1
530 1 35 ARG HA 1 38 LEU MD1 4.130 . 4.540 2.456 1.862 3.223 . 0 0 "[ . 1 . 2]" 1
531 1 35 ARG QB 1 36 ALA H 4.130 . 4.540 3.018 2.440 3.781 . 0 0 "[ . 1 . 2]" 1
532 1 35 ARG HB2 1 36 ALA H 4.800 . 5.280 3.696 2.710 4.267 . 0 0 "[ . 1 . 2]" 1
533 1 35 ARG HB3 1 36 ALA H 4.800 . 5.280 3.447 2.469 4.223 . 0 0 "[ . 1 . 2]" 1
534 1 36 ALA H 1 37 ALA H 4.120 . 4.530 2.797 2.655 2.898 . 0 0 "[ . 1 . 2]" 1
535 1 36 ALA H 1 37 ALA MB 5.010 . 5.510 4.459 4.341 4.640 . 0 0 "[ . 1 . 2]" 1
536 1 36 ALA HA 1 39 GLN H 3.900 . 4.290 3.571 3.330 4.149 . 0 0 "[ . 1 . 2]" 1
537 1 36 ALA HA 1 39 GLN HB2 3.680 . 4.050 2.847 2.427 3.686 . 0 0 "[ . 1 . 2]" 1
538 1 36 ALA HA 1 39 GLN HB3 4.930 . 5.420 4.437 3.888 5.273 . 0 0 "[ . 1 . 2]" 1
539 1 36 ALA HA 1 39 GLN QG 4.500 . 4.950 3.242 2.428 4.076 . 0 0 "[ . 1 . 2]" 1
540 1 36 ALA MB 1 37 ALA H 3.510 . 3.860 2.575 2.386 2.752 . 0 0 "[ . 1 . 2]" 1
541 1 37 ALA H 1 37 ALA MB 3.030 . 3.330 2.247 2.235 2.288 . 0 0 "[ . 1 . 2]" 1
542 1 37 ALA H 1 38 LEU H 3.470 . 3.820 2.716 2.434 2.854 . 0 0 "[ . 1 . 2]" 1
543 1 37 ALA MB 1 38 LEU H 3.470 . 3.820 2.469 2.348 2.675 . 0 0 "[ . 1 . 2]" 1
544 1 37 ALA MB 1 38 LEU MD1 4.410 . 4.850 4.607 4.458 4.788 . 0 0 "[ . 1 . 2]" 1
545 1 37 ALA MB 1 38 LEU MD2 4.530 . 4.980 3.559 3.275 3.881 . 0 0 "[ . 1 . 2]" 1
546 1 37 ALA MB 1 39 GLN H 5.380 . 5.920 4.569 4.401 4.716 . 0 0 "[ . 1 . 2]" 1
547 1 37 ALA MB 1 58 PRO HD2 4.370 . 4.810 3.110 2.266 3.734 . 0 0 "[ . 1 . 2]" 1
548 1 37 ALA MB 1 58 PRO QD 3.790 . 4.170 3.027 2.245 3.614 . 0 0 "[ . 1 . 2]" 1
549 1 37 ALA MB 1 58 PRO HD3 4.370 . 4.810 4.211 3.649 4.832 0.022 15 0 "[ . 1 . 2]" 1
550 1 37 ALA MB 1 58 PRO HG2 3.710 . 4.080 2.197 1.754 2.680 0.046 4 0 "[ . 1 . 2]" 1
551 1 37 ALA MB 1 58 PRO HG3 3.710 . 4.080 3.325 2.797 4.104 0.024 3 0 "[ . 1 . 2]" 1
552 1 38 LEU H 1 38 LEU HB2 3.400 . 3.740 2.525 2.489 2.575 . 0 0 "[ . 1 . 2]" 1
553 1 38 LEU H 1 38 LEU HB3 3.640 . 4.000 3.600 3.591 3.612 . 0 0 "[ . 1 . 2]" 1
554 1 38 LEU H 1 38 LEU MD1 4.230 . 4.650 3.628 3.473 3.690 . 0 0 "[ . 1 . 2]" 1
555 1 38 LEU H 1 38 LEU MD2 4.190 . 4.610 3.202 2.977 3.343 . 0 0 "[ . 1 . 2]" 1
556 1 38 LEU H 1 38 LEU HG 3.360 . 3.700 2.217 2.121 2.291 . 0 0 "[ . 1 . 2]" 1
557 1 38 LEU H 1 39 GLN H 3.460 . 3.810 2.781 2.653 2.868 . 0 0 "[ . 1 . 2]" 1
558 1 38 LEU H 1 41 LEU MD1 4.630 . 5.090 4.265 4.014 4.454 . 0 0 "[ . 1 . 2]" 1
559 1 38 LEU HA 1 38 LEU MD2 3.240 . 3.560 2.023 1.987 2.084 . 0 0 "[ . 1 . 2]" 1
560 1 38 LEU HA 1 38 LEU HG 4.010 . 4.410 3.135 3.025 3.230 . 0 0 "[ . 1 . 2]" 1
561 1 38 LEU HA 1 41 LEU H 4.010 . 4.410 3.355 3.130 3.767 . 0 0 "[ . 1 . 2]" 1
562 1 38 LEU HA 1 41 LEU HB2 4.600 . 5.060 2.736 2.454 2.937 . 0 0 "[ . 1 . 2]" 1
563 1 38 LEU HA 1 41 LEU QB 3.900 . 4.290 2.707 2.434 2.898 . 0 0 "[ . 1 . 2]" 1
564 1 38 LEU HA 1 41 LEU HB3 4.600 . 5.060 4.303 4.023 4.544 . 0 0 "[ . 1 . 2]" 1
565 1 38 LEU HA 1 41 LEU MD1 3.690 . 4.060 2.272 2.001 2.783 . 0 0 "[ . 1 . 2]" 1
566 1 38 LEU HA 1 43 VAL HB 5.380 . 5.920 3.723 3.107 4.627 . 0 0 "[ . 1 . 2]" 1
567 1 38 LEU HA 1 43 VAL MG2 4.000 . 4.400 2.827 2.440 3.408 . 0 0 "[ . 1 . 2]" 1
568 1 38 LEU HB2 1 39 GLN H 3.450 . 3.790 2.567 2.443 2.725 . 0 0 "[ . 1 . 2]" 1
569 1 38 LEU HB2 1 43 VAL HB 4.350 . 4.790 3.920 3.452 4.537 . 0 0 "[ . 1 . 2]" 1
570 1 38 LEU HB2 1 43 VAL MG2 4.460 . 4.910 4.290 3.749 4.896 . 0 0 "[ . 1 . 2]" 1
571 1 38 LEU HB3 1 38 LEU MD2 3.060 . 3.370 2.404 2.338 2.447 . 0 0 "[ . 1 . 2]" 1
572 1 38 LEU HB3 1 39 GLN H 4.270 . 4.700 3.606 3.453 3.745 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU HB3 1 39 GLN HA 4.910 . 5.400 4.492 4.400 4.629 . 0 0 "[ . 1 . 2]" 1
574 1 38 LEU HB3 1 43 VAL H 4.690 . 5.160 4.063 3.766 4.630 . 0 0 "[ . 1 . 2]" 1
575 1 38 LEU HB3 1 43 VAL HB 3.770 . 4.150 2.383 1.787 3.038 0.013 8 0 "[ . 1 . 2]" 1
576 1 38 LEU HB3 1 43 VAL MG1 3.940 . 4.330 3.298 2.862 3.871 . 0 0 "[ . 1 . 2]" 1
577 1 38 LEU HB3 1 43 VAL MG2 3.710 . 4.080 2.905 2.291 3.509 . 0 0 "[ . 1 . 2]" 1
578 1 38 LEU MD1 1 43 VAL HB 4.610 . 5.070 3.874 3.418 4.556 . 0 0 "[ . 1 . 2]" 1
579 1 38 LEU MD1 1 43 VAL MG1 3.810 . 4.190 3.356 2.742 3.745 . 0 0 "[ . 1 . 2]" 1
580 1 38 LEU MD1 1 48 GLU HA 4.140 . 4.550 3.684 2.921 4.383 . 0 0 "[ . 1 . 2]" 1
581 1 38 LEU MD1 1 48 GLU QB 3.960 . 4.360 2.654 1.882 4.016 . 0 0 "[ . 1 . 2]" 1
582 1 38 LEU MD2 1 43 VAL HB 3.820 . 4.200 3.493 2.854 4.204 0.004 15 0 "[ . 1 . 2]" 1
583 1 38 LEU MD2 1 48 GLU QB 4.310 . 4.740 3.898 2.760 4.772 0.032 18 0 "[ . 1 . 2]" 1
584 1 38 LEU HG 1 43 VAL MG1 5.500 . 6.050 5.353 4.767 5.916 . 0 0 "[ . 1 . 2]" 1
585 1 39 GLN H 1 39 GLN HB2 3.380 . 3.720 2.487 2.410 2.592 . 0 0 "[ . 1 . 2]" 1
586 1 39 GLN H 1 39 GLN HB3 3.940 . 4.330 3.604 3.593 3.614 . 0 0 "[ . 1 . 2]" 1
587 1 39 GLN H 1 39 GLN HG2 4.160 . 4.580 2.792 2.111 3.597 . 0 0 "[ . 1 . 2]" 1
588 1 39 GLN H 1 39 GLN QG 3.470 . 3.820 2.242 2.087 2.439 . 0 0 "[ . 1 . 2]" 1
589 1 39 GLN H 1 39 GLN HG3 4.160 . 4.580 3.048 2.108 3.734 . 0 0 "[ . 1 . 2]" 1
590 1 39 GLN H 1 40 ALA H 3.470 . 3.820 2.710 2.618 2.841 . 0 0 "[ . 1 . 2]" 1
591 1 39 GLN HA 1 39 GLN QE 4.790 . 5.270 3.960 2.245 4.882 . 0 0 "[ . 1 . 2]" 1
592 1 39 GLN HA 1 39 GLN HG2 4.210 . 4.630 2.824 2.448 3.185 . 0 0 "[ . 1 . 2]" 1
593 1 39 GLN HA 1 39 GLN QG 3.470 . 3.820 2.701 2.353 3.030 . 0 0 "[ . 1 . 2]" 1
594 1 39 GLN HA 1 39 GLN HG3 4.210 . 4.630 3.442 2.940 3.798 . 0 0 "[ . 1 . 2]" 1
595 1 39 GLN HA 1 42 GLY H 4.560 . 5.020 3.279 3.067 3.710 . 0 0 "[ . 1 . 2]" 1
596 1 39 GLN HA 1 43 VAL H 5.140 . 5.650 3.394 2.988 3.970 . 0 0 "[ . 1 . 2]" 1
597 1 39 GLN HB2 1 40 ALA H 3.690 . 4.060 2.695 2.364 2.992 . 0 0 "[ . 1 . 2]" 1
598 1 39 GLN HB3 1 40 ALA H 3.890 . 4.280 3.674 3.452 3.947 . 0 0 "[ . 1 . 2]" 1
599 1 39 GLN HB3 1 40 ALA HA 5.240 . 5.760 4.518 4.343 4.701 . 0 0 "[ . 1 . 2]" 1
600 1 39 GLN QG 1 40 ALA H 4.550 . 5.010 4.121 3.946 4.232 . 0 0 "[ . 1 . 2]" 1
601 1 40 ALA H 1 40 ALA MB 2.910 . 3.200 2.246 2.236 2.264 . 0 0 "[ . 1 . 2]" 1
602 1 40 ALA H 1 41 LEU H 3.400 . 3.740 2.670 2.543 2.801 . 0 0 "[ . 1 . 2]" 1
603 1 40 ALA MB 1 41 LEU H 3.640 . 4.000 2.636 2.466 2.907 . 0 0 "[ . 1 . 2]" 1
604 1 40 ALA MB 1 41 LEU HA 4.590 . 5.050 3.966 3.854 4.067 . 0 0 "[ . 1 . 2]" 1
605 1 40 ALA MB 1 41 LEU MD2 4.160 . 4.580 3.647 3.483 3.762 . 0 0 "[ . 1 . 2]" 1
606 1 41 LEU H 1 41 LEU HB2 3.740 . 4.110 2.497 2.439 2.551 . 0 0 "[ . 1 . 2]" 1
607 1 41 LEU H 1 41 LEU QB 3.080 . 3.390 2.454 2.403 2.501 . 0 0 "[ . 1 . 2]" 1
608 1 41 LEU H 1 41 LEU HB3 3.740 . 4.110 3.607 3.595 3.621 . 0 0 "[ . 1 . 2]" 1
609 1 41 LEU H 1 41 LEU MD1 3.940 . 4.330 3.613 3.522 3.711 . 0 0 "[ . 1 . 2]" 1
610 1 41 LEU H 1 41 LEU MD2 4.310 . 4.740 3.364 3.195 3.549 . 0 0 "[ . 1 . 2]" 1
611 1 41 LEU H 1 41 LEU HG 4.040 . 4.440 2.306 2.167 2.535 . 0 0 "[ . 1 . 2]" 1
612 1 41 LEU H 1 42 GLY H 3.400 . 3.740 2.555 2.409 2.671 . 0 0 "[ . 1 . 2]" 1
613 1 41 LEU HA 1 41 LEU MD1 4.360 . 4.800 3.896 3.877 3.916 . 0 0 "[ . 1 . 2]" 1
614 1 41 LEU HA 1 41 LEU MD2 3.120 . 3.430 2.081 2.013 2.135 . 0 0 "[ . 1 . 2]" 1
615 1 41 LEU QB 1 43 VAL H 4.340 . 4.770 3.024 2.756 3.520 . 0 0 "[ . 1 . 2]" 1
616 1 41 LEU QB 1 43 VAL MG1 5.340 . 5.870 4.536 4.339 4.776 . 0 0 "[ . 1 . 2]" 1
617 1 41 LEU QB 1 43 VAL MG2 3.900 . 4.290 1.995 1.774 2.221 0.026 7 0 "[ . 1 . 2]" 1
618 1 41 LEU HB2 1 42 GLY H 4.430 . 4.870 3.063 2.893 3.487 . 0 0 "[ . 1 . 2]" 1
619 1 41 LEU HB3 1 42 GLY H 4.430 . 4.870 3.999 3.859 4.241 . 0 0 "[ . 1 . 2]" 1
620 1 41 LEU MD1 1 57 MET HA 3.930 . 4.320 2.369 2.009 2.891 . 0 0 "[ . 1 . 2]" 1
621 1 41 LEU MD1 1 57 MET HB3 3.910 . 4.300 2.740 2.223 3.048 . 0 0 "[ . 1 . 2]" 1
622 1 41 LEU MD1 1 57 MET QG 3.780 . 4.160 2.297 1.898 3.874 . 0 0 "[ . 1 . 2]" 1
623 1 41 LEU MD1 1 58 PRO HD2 3.900 . 4.290 1.981 1.767 2.422 0.033 7 0 "[ . 1 . 2]" 1
624 1 41 LEU MD1 1 58 PRO HD3 3.900 . 4.290 2.648 1.870 2.973 . 0 0 "[ . 1 . 2]" 1
625 1 41 LEU MD1 1 58 PRO QG 4.320 . 4.750 3.403 3.207 3.817 . 0 0 "[ . 1 . 2]" 1
626 1 41 LEU MD2 1 57 MET HB3 4.230 . 4.650 4.590 3.877 4.703 0.053 5 0 "[ . 1 . 2]" 1
627 1 41 LEU MD2 1 58 PRO QG 4.460 . 4.910 3.098 2.618 3.631 . 0 0 "[ . 1 . 2]" 1
628 1 42 GLY H 1 43 VAL H 3.360 . 3.700 2.395 2.147 2.676 . 0 0 "[ . 1 . 2]" 1
629 1 42 GLY H 1 43 VAL MG2 4.190 . 4.610 3.578 3.408 3.841 . 0 0 "[ . 1 . 2]" 1
630 1 43 VAL H 1 43 VAL HB 3.250 . 3.580 2.550 2.475 2.587 . 0 0 "[ . 1 . 2]" 1
631 1 43 VAL H 1 43 VAL MG1 4.440 . 4.880 3.801 3.776 3.843 . 0 0 "[ . 1 . 2]" 1
632 1 43 VAL H 1 43 VAL MG2 3.170 . 3.490 2.182 1.975 2.497 . 0 0 "[ . 1 . 2]" 1
633 1 43 VAL HA 1 43 VAL MG1 3.270 . 3.600 2.403 2.375 2.449 . 0 0 "[ . 1 . 2]" 1
634 1 43 VAL HA 1 43 VAL MG2 3.350 . 3.690 2.418 2.384 2.442 . 0 0 "[ . 1 . 2]" 1
635 1 43 VAL HA 1 44 ALA H 3.010 . 3.310 2.174 2.153 2.227 . 0 0 "[ . 1 . 2]" 1
636 1 43 VAL HA 1 44 ALA MB 4.080 . 4.490 4.020 3.934 4.079 . 0 0 "[ . 1 . 2]" 1
637 1 43 VAL HB 1 44 ALA MB 5.500 . 6.050 5.492 5.305 5.618 . 0 0 "[ . 1 . 2]" 1
638 1 43 VAL MG1 1 44 ALA H 3.700 . 4.070 2.790 2.311 3.290 . 0 0 "[ . 1 . 2]" 1
639 1 43 VAL MG1 1 44 ALA MB 4.220 . 4.640 3.876 3.323 4.312 . 0 0 "[ . 1 . 2]" 1
640 1 43 VAL MG1 1 45 GLU HA 4.440 . 4.880 4.288 3.641 4.672 . 0 0 "[ . 1 . 2]" 1
641 1 43 VAL MG1 1 47 GLY H 3.950 . 4.350 3.405 2.988 4.093 . 0 0 "[ . 1 . 2]" 1
642 1 43 VAL MG1 1 47 GLY HA2 4.060 . 4.470 4.201 3.645 4.509 0.039 11 0 "[ . 1 . 2]" 1
643 1 43 VAL MG1 1 47 GLY QA 3.330 . 3.660 2.847 2.268 3.292 . 0 0 "[ . 1 . 2]" 1
644 1 43 VAL MG1 1 47 GLY HA3 4.060 . 4.470 2.898 2.291 3.385 . 0 0 "[ . 1 . 2]" 1
645 1 43 VAL MG1 1 48 GLU H 3.900 . 4.290 3.050 2.410 3.917 . 0 0 "[ . 1 . 2]" 1
646 1 43 VAL MG1 1 48 GLU HA 3.770 . 4.150 2.866 2.234 3.792 . 0 0 "[ . 1 . 2]" 1
647 1 43 VAL MG1 1 54 VAL HB 5.500 . 6.050 5.039 4.526 5.622 . 0 0 "[ . 1 . 2]" 1
648 1 43 VAL MG2 1 54 VAL MG1 2.980 . 3.280 2.420 1.970 3.001 . 0 0 "[ . 1 . 2]" 1
649 1 43 VAL MG2 1 54 VAL MG2 3.090 . 3.400 2.322 1.936 3.092 . 0 0 "[ . 1 . 2]" 1
650 1 44 ALA H 1 44 ALA MB 3.150 . 3.470 2.270 2.233 2.398 . 0 0 "[ . 1 . 2]" 1
651 1 44 ALA HA 1 45 GLU H 3.320 . 3.650 2.257 2.158 2.307 . 0 0 "[ . 1 . 2]" 1
652 1 44 ALA HA 1 45 GLU QB 4.510 . 4.960 4.338 4.062 4.659 . 0 0 "[ . 1 . 2]" 1
653 1 44 ALA MB 1 45 GLU H 3.530 . 3.880 2.759 2.641 3.062 . 0 0 "[ . 1 . 2]" 1
654 1 44 ALA MB 1 45 GLU HA 5.240 . 5.760 4.488 4.443 4.593 . 0 0 "[ . 1 . 2]" 1
655 1 44 ALA MB 1 47 GLY H 4.620 . 5.080 3.976 3.254 4.530 . 0 0 "[ . 1 . 2]" 1
656 1 45 GLU H 1 45 GLU QB 3.230 . 3.550 2.358 2.189 2.611 . 0 0 "[ . 1 . 2]" 1
657 1 45 GLU H 1 45 GLU HG2 5.380 . 5.920 3.843 1.988 4.613 . 0 0 "[ . 1 . 2]" 1
658 1 45 GLU H 1 45 GLU QG 4.560 . 5.020 3.239 1.966 4.067 . 0 0 "[ . 1 . 2]" 1
659 1 45 GLU H 1 45 GLU HG3 5.380 . 5.920 3.716 2.025 4.537 . 0 0 "[ . 1 . 2]" 1
660 1 45 GLU HA 1 46 GLY H 3.140 . 3.450 2.171 2.128 2.286 . 0 0 "[ . 1 . 2]" 1
661 1 45 GLU HA 1 47 GLY H 4.220 . 4.640 3.515 3.177 4.120 . 0 0 "[ . 1 . 2]" 1
662 1 45 GLU QB 1 46 GLY H 4.490 . 4.940 3.574 2.722 3.984 . 0 0 "[ . 1 . 2]" 1
663 1 45 GLU HG2 1 46 GLY H 5.500 . 6.050 4.254 2.914 5.405 . 0 0 "[ . 1 . 2]" 1
664 1 45 GLU HG3 1 46 GLY H 5.500 . 6.050 4.119 2.842 5.633 . 0 0 "[ . 1 . 2]" 1
665 1 46 GLY H 1 47 GLY H 3.690 . 4.060 2.498 2.116 3.271 . 0 0 "[ . 1 . 2]" 1
666 1 46 GLY H 1 48 GLU H 4.490 . 4.940 3.068 2.707 3.567 . 0 0 "[ . 1 . 2]" 1
667 1 47 GLY H 1 48 GLU H 3.710 . 4.080 2.364 2.039 2.757 . 0 0 "[ . 1 . 2]" 1
668 1 47 GLY QA 1 49 ARG H 4.820 . 5.300 3.647 3.233 3.908 . 0 0 "[ . 1 . 2]" 1
669 1 48 GLU H 1 48 GLU HB2 4.180 . 4.600 3.374 2.424 3.637 . 0 0 "[ . 1 . 2]" 1
670 1 48 GLU H 1 48 GLU QB 3.470 . 3.820 2.405 2.211 2.529 . 0 0 "[ . 1 . 2]" 1
671 1 48 GLU H 1 48 GLU HB3 4.180 . 4.600 2.540 2.409 3.622 . 0 0 "[ . 1 . 2]" 1
672 1 48 GLU H 1 48 GLU QG 4.080 . 4.490 3.160 2.153 4.036 . 0 0 "[ . 1 . 2]" 1
673 1 48 GLU H 1 49 ARG H 3.830 . 4.210 2.723 2.576 2.859 . 0 0 "[ . 1 . 2]" 1
674 1 48 GLU H 1 50 CYS H 4.700 . 5.170 4.195 3.881 4.434 . 0 0 "[ . 1 . 2]" 1
675 1 48 GLU QG 1 49 ARG H 4.500 . 4.950 2.851 2.130 4.579 . 0 0 "[ . 1 . 2]" 1
676 1 48 GLU HG2 1 77 PHE QE 4.520 . 4.970 3.752 2.880 5.008 0.038 15 0 "[ . 1 . 2]" 1
677 1 48 GLU HG3 1 77 PHE QE 4.520 . 4.970 3.991 2.740 5.026 0.056 20 0 "[ . 1 . 2]" 1
678 1 49 ARG H 1 49 ARG HB2 4.010 . 4.410 3.101 2.317 3.705 . 0 0 "[ . 1 . 2]" 1
679 1 49 ARG H 1 49 ARG QB 3.340 . 3.670 2.521 2.290 2.774 . 0 0 "[ . 1 . 2]" 1
680 1 49 ARG H 1 49 ARG HB3 4.010 . 4.410 3.086 2.466 3.643 . 0 0 "[ . 1 . 2]" 1
681 1 49 ARG H 1 49 ARG QD 4.480 . 4.930 3.885 3.436 4.311 . 0 0 "[ . 1 . 2]" 1
682 1 49 ARG H 1 49 ARG HG2 4.130 . 4.540 2.658 1.813 3.923 . 0 0 "[ . 1 . 2]" 1
683 1 49 ARG H 1 49 ARG QG 3.320 . 3.650 2.154 1.789 2.580 0.011 15 0 "[ . 1 . 2]" 1
684 1 49 ARG H 1 49 ARG HG3 4.130 . 4.540 2.905 2.137 3.720 . 0 0 "[ . 1 . 2]" 1
685 1 49 ARG H 1 50 CYS H 3.460 . 3.810 2.675 2.383 2.807 . 0 0 "[ . 1 . 2]" 1
686 1 49 ARG HA 1 49 ARG QD 4.290 . 4.720 4.162 2.145 4.552 . 0 0 "[ . 1 . 2]" 1
687 1 49 ARG HA 1 49 ARG QG 3.600 . 3.960 2.974 2.408 3.366 . 0 0 "[ . 1 . 2]" 1
688 1 49 ARG QB 1 50 CYS H 4.240 . 4.660 3.575 2.838 3.985 . 0 0 "[ . 1 . 2]" 1
689 1 50 CYS H 1 50 CYS HB2 4.000 . 4.400 2.985 2.627 4.008 . 0 0 "[ . 1 . 2]" 1
690 1 50 CYS H 1 50 CYS QB 3.480 . 3.830 2.742 2.504 3.293 . 0 0 "[ . 1 . 2]" 1
691 1 50 CYS H 1 50 CYS HB3 4.000 . 4.400 3.599 2.645 3.902 . 0 0 "[ . 1 . 2]" 1
692 1 50 CYS HA 1 51 PRO HD2 3.960 . 4.360 2.041 1.876 2.419 . 0 0 "[ . 1 . 2]" 1
693 1 50 CYS HA 1 51 PRO QD 3.190 . 3.510 1.996 1.856 2.190 . 0 0 "[ . 1 . 2]" 1
694 1 50 CYS HA 1 51 PRO HD3 3.960 . 4.360 2.942 2.386 3.355 . 0 0 "[ . 1 . 2]" 1
695 1 50 CYS HA 1 52 GLN H 4.640 . 5.100 3.500 2.975 3.815 . 0 0 "[ . 1 . 2]" 1
696 1 50 CYS QB 1 53 SER H 4.570 . 5.030 3.244 2.709 4.233 . 0 0 "[ . 1 . 2]" 1
697 1 50 CYS QB 1 53 SER QB 4.330 . 4.760 2.886 2.289 3.947 . 0 0 "[ . 1 . 2]" 1
698 1 51 PRO HA 1 54 VAL H 4.220 . 4.640 3.354 2.969 3.621 . 0 0 "[ . 1 . 2]" 1
699 1 51 PRO HA 1 54 VAL HB 3.900 . 4.290 3.181 2.547 3.881 . 0 0 "[ . 1 . 2]" 1
700 1 51 PRO HA 1 54 VAL MG2 3.550 . 3.900 2.737 2.196 3.447 . 0 0 "[ . 1 . 2]" 1
701 1 51 PRO HA 1 57 MET ME 3.450 . 3.790 3.239 2.337 3.816 0.026 8 0 "[ . 1 . 2]" 1
702 1 51 PRO HA 1 72 GLY QA 5.320 . 5.850 4.051 3.522 4.756 . 0 0 "[ . 1 . 2]" 1
703 1 51 PRO QB 1 57 MET ME 3.380 . 3.720 2.298 1.978 2.670 . 0 0 "[ . 1 . 2]" 1
704 1 51 PRO QB 1 72 GLY QA 3.910 . 4.300 2.179 1.790 3.012 0.010 16 0 "[ . 1 . 2]" 1
705 1 51 PRO HB2 1 57 MET ME 3.880 . 4.270 2.983 2.393 3.942 . 0 0 "[ . 1 . 2]" 1
706 1 51 PRO HB2 1 75 VAL MG2 4.050 . 4.460 2.866 2.409 3.394 . 0 0 "[ . 1 . 2]" 1
707 1 51 PRO HB3 1 57 MET ME 3.880 . 4.270 2.442 2.073 2.715 . 0 0 "[ . 1 . 2]" 1
708 1 51 PRO HB3 1 75 VAL MG2 4.050 . 4.460 3.274 2.555 3.899 . 0 0 "[ . 1 . 2]" 1
709 1 51 PRO QD 1 52 GLN H 4.330 . 4.760 2.927 2.724 3.099 . 0 0 "[ . 1 . 2]" 1
710 1 51 PRO QD 1 75 VAL MG2 4.260 . 4.690 4.094 3.613 4.662 . 0 0 "[ . 1 . 2]" 1
711 1 51 PRO QG 1 52 GLN H 3.970 . 4.370 2.671 2.406 3.742 . 0 0 "[ . 1 . 2]" 1
712 1 51 PRO QG 1 57 MET ME 3.880 . 4.270 3.829 3.034 4.291 0.021 15 0 "[ . 1 . 2]" 1
713 1 51 PRO QG 1 75 VAL MG2 3.410 . 3.750 2.420 1.958 2.987 . 0 0 "[ . 1 . 2]" 1
714 1 51 PRO HG2 1 75 VAL MG2 4.000 . 4.400 3.019 2.564 3.638 . 0 0 "[ . 1 . 2]" 1
715 1 51 PRO HG3 1 75 VAL MG2 4.000 . 4.400 2.585 2.019 3.411 . 0 0 "[ . 1 . 2]" 1
716 1 52 GLN H 1 52 GLN QB 3.430 . 3.770 2.449 2.179 2.633 . 0 0 "[ . 1 . 2]" 1
717 1 52 GLN H 1 52 GLN QG 4.430 . 4.870 2.503 1.847 4.036 . 0 0 "[ . 1 . 2]" 1
718 1 52 GLN H 1 53 SER H 3.920 . 4.310 2.724 2.593 2.818 . 0 0 "[ . 1 . 2]" 1
719 1 52 GLN HA 1 73 THR HA 3.630 . 3.990 2.839 1.733 3.535 0.067 19 0 "[ . 1 . 2]" 1
720 1 52 GLN HA 1 73 THR MG 4.140 . 4.550 3.667 2.344 4.571 0.021 16 0 "[ . 1 . 2]" 1
721 1 52 GLN QB 1 53 SER H 4.360 . 4.800 3.278 2.392 3.691 . 0 0 "[ . 1 . 2]" 1
722 1 52 GLN QB 1 73 THR HA 4.170 . 4.590 2.871 2.024 4.178 . 0 0 "[ . 1 . 2]" 1
723 1 52 GLN QB 1 73 THR MG 4.970 . 5.470 3.823 2.127 5.187 . 0 0 "[ . 1 . 2]" 1
724 1 52 GLN QG 1 53 SER H 4.140 . 4.550 3.171 2.322 4.572 0.022 11 0 "[ . 1 . 2]" 1
725 1 53 SER H 1 53 SER QB 3.420 . 3.760 2.324 2.267 2.460 . 0 0 "[ . 1 . 2]" 1
726 1 53 SER H 1 54 VAL H 3.400 . 3.740 2.504 2.325 2.721 . 0 0 "[ . 1 . 2]" 1
727 1 53 SER H 1 54 VAL MG2 4.310 . 4.740 3.730 3.438 4.035 . 0 0 "[ . 1 . 2]" 1
728 1 54 VAL H 1 54 VAL HB 3.470 . 3.820 2.577 2.472 2.647 . 0 0 "[ . 1 . 2]" 1
729 1 54 VAL H 1 54 VAL MG1 4.410 . 4.850 3.810 3.771 3.866 . 0 0 "[ . 1 . 2]" 1
730 1 54 VAL H 1 54 VAL MG2 3.300 . 3.630 2.184 1.925 2.452 . 0 0 "[ . 1 . 2]" 1
731 1 54 VAL H 1 55 GLY H 3.700 . 4.070 2.507 2.134 2.860 . 0 0 "[ . 1 . 2]" 1
732 1 54 VAL HA 1 54 VAL MG1 3.480 . 3.830 2.388 2.353 2.472 . 0 0 "[ . 1 . 2]" 1
733 1 54 VAL HA 1 54 VAL MG2 3.360 . 3.700 2.439 2.376 2.482 . 0 0 "[ . 1 . 2]" 1
734 1 54 VAL HB 1 55 GLY H 3.830 . 4.210 2.553 2.225 3.144 . 0 0 "[ . 1 . 2]" 1
735 1 54 VAL HB 1 57 MET ME 4.080 . 4.490 3.619 2.449 4.201 . 0 0 "[ . 1 . 2]" 1
736 1 54 VAL HB 1 57 MET QG 4.540 . 4.990 3.185 2.560 4.176 . 0 0 "[ . 1 . 2]" 1
737 1 54 VAL MG1 1 55 GLY H 4.150 . 4.570 3.471 3.141 3.946 . 0 0 "[ . 1 . 2]" 1
738 1 54 VAL MG1 1 55 GLY QA 4.460 . 4.910 3.813 3.551 3.992 . 0 0 "[ . 1 . 2]" 1
739 1 54 VAL MG1 1 56 TRP H 4.410 . 4.850 3.507 2.851 4.741 . 0 0 "[ . 1 . 2]" 1
740 1 54 VAL MG1 1 57 MET HA 4.600 . 5.060 4.028 3.393 4.582 . 0 0 "[ . 1 . 2]" 1
741 1 54 VAL MG1 1 57 MET ME 3.850 . 4.230 3.693 2.016 4.256 0.026 20 0 "[ . 1 . 2]" 1
742 1 54 VAL MG1 1 57 MET HG2 3.660 . 4.030 2.612 2.044 3.354 . 0 0 "[ . 1 . 2]" 1
743 1 54 VAL MG1 1 57 MET HG3 3.660 . 4.030 2.903 2.283 4.134 0.104 17 0 "[ . 1 . 2]" 1
744 1 54 VAL MG2 1 55 GLY H 4.540 . 4.990 3.760 3.664 3.909 . 0 0 "[ . 1 . 2]" 1
745 1 54 VAL MG2 1 57 MET ME 4.000 . 4.400 3.746 2.179 4.296 . 0 0 "[ . 1 . 2]" 1
746 1 55 GLY H 1 56 TRP H 4.550 . 5.010 4.078 3.743 4.546 . 0 0 "[ . 1 . 2]" 1
747 1 55 GLY QA 1 56 TRP HD1 4.430 . 4.870 3.915 2.842 4.953 0.083 7 0 "[ . 1 . 2]" 1
748 1 56 TRP H 1 56 TRP QB 3.520 . 3.870 2.738 2.311 3.162 . 0 0 "[ . 1 . 2]" 1
749 1 56 TRP H 1 56 TRP HD1 4.120 . 4.530 3.057 1.745 4.543 0.055 16 0 "[ . 1 . 2]" 1
750 1 56 TRP HA 1 57 MET H 3.320 . 3.650 2.190 2.147 2.275 . 0 0 "[ . 1 . 2]" 1
751 1 56 TRP HA 1 71 PRO HA 4.320 . 4.750 2.601 2.024 3.280 . 0 0 "[ . 1 . 2]" 1
752 1 56 TRP HA 1 72 GLY H 4.300 . 4.730 2.975 2.055 3.804 . 0 0 "[ . 1 . 2]" 1
753 1 56 TRP QB 1 57 MET H 4.210 . 4.630 3.174 2.788 3.574 . 0 0 "[ . 1 . 2]" 1
754 1 57 MET H 1 57 MET HB2 3.800 . 4.180 2.863 2.588 3.933 . 0 0 "[ . 1 . 2]" 1
755 1 57 MET H 1 57 MET HB3 4.180 . 4.600 3.800 3.402 3.900 . 0 0 "[ . 1 . 2]" 1
756 1 57 MET H 1 57 MET QG 4.400 . 4.840 3.099 2.353 3.710 . 0 0 "[ . 1 . 2]" 1
757 1 57 MET H 1 70 PHE H 4.040 . 4.440 2.971 2.578 3.441 . 0 0 "[ . 1 . 2]" 1
758 1 57 MET H 1 71 PRO HA 4.630 . 5.090 3.991 3.673 4.495 . 0 0 "[ . 1 . 2]" 1
759 1 57 MET HA 1 58 PRO HD2 3.590 . 3.950 2.424 2.160 3.007 . 0 0 "[ . 1 . 2]" 1
760 1 57 MET HA 1 58 PRO QD 3.110 . 3.420 2.015 1.836 2.125 . 0 0 "[ . 1 . 2]" 1
761 1 57 MET HA 1 58 PRO HD3 3.590 . 3.950 2.196 1.862 2.393 . 0 0 "[ . 1 . 2]" 1
762 1 57 MET HB2 1 57 MET ME 3.680 . 4.050 2.298 1.934 4.060 0.010 8 0 "[ . 1 . 2]" 1
763 1 57 MET HB2 1 70 PHE QE 4.450 . 4.890 3.590 3.214 4.684 . 0 0 "[ . 1 . 2]" 1
764 1 57 MET HB2 1 70 PHE HZ 5.030 . 5.530 3.594 3.127 5.048 . 0 0 "[ . 1 . 2]" 1
765 1 57 MET HB3 1 58 PRO HD2 4.280 . 4.710 2.822 2.225 3.745 . 0 0 "[ . 1 . 2]" 1
766 1 57 MET HB3 1 58 PRO QD 3.620 . 3.980 2.741 2.207 3.457 . 0 0 "[ . 1 . 2]" 1
767 1 57 MET HB3 1 58 PRO HD3 4.280 . 4.710 3.867 3.059 4.304 . 0 0 "[ . 1 . 2]" 1
768 1 57 MET ME 1 57 MET QG 3.250 . 3.580 2.444 2.238 2.498 . 0 0 "[ . 1 . 2]" 1
769 1 57 MET ME 1 70 PHE QE 4.770 . 5.250 3.023 2.194 4.532 . 0 0 "[ . 1 . 2]" 1
770 1 57 MET ME 1 70 PHE HZ 5.010 . 5.510 3.038 2.256 4.428 . 0 0 "[ . 1 . 2]" 1
771 1 57 MET ME 1 72 GLY QA 3.500 . 3.850 2.613 1.787 3.913 0.063 2 0 "[ . 1 . 2]" 1
772 1 57 MET ME 1 75 VAL MG2 4.130 . 4.540 3.357 2.468 4.071 . 0 0 "[ . 1 . 2]" 1
773 1 58 PRO HA 1 59 GLY H 3.210 . 3.530 2.197 2.171 2.236 . 0 0 "[ . 1 . 2]" 1
774 1 58 PRO HA 1 69 ASP HA 3.520 . 3.870 2.155 1.802 2.436 . 0 0 "[ . 1 . 2]" 1
775 1 58 PRO HA 1 70 PHE H 4.620 . 5.080 3.557 3.087 4.088 . 0 0 "[ . 1 . 2]" 1
776 1 58 PRO HB2 1 59 GLY H 4.480 . 4.930 3.668 3.287 4.054 . 0 0 "[ . 1 . 2]" 1
777 1 58 PRO HB3 1 59 GLY H 4.480 . 4.930 4.124 3.738 4.253 . 0 0 "[ . 1 . 2]" 1
778 1 59 GLY H 1 60 LEU H 4.850 . 5.330 4.430 4.382 4.462 . 0 0 "[ . 1 . 2]" 1
779 1 59 GLY H 1 68 GLY H 3.800 . 4.180 3.048 2.755 4.075 . 0 0 "[ . 1 . 2]" 1
780 1 59 GLY H 1 69 ASP HA 4.070 . 4.480 3.475 3.201 3.970 . 0 0 "[ . 1 . 2]" 1
781 1 59 GLY H 1 70 PHE QE 4.290 . 4.720 3.092 2.519 3.573 . 0 0 "[ . 1 . 2]" 1
782 1 59 GLY QA 1 70 PHE QE 3.660 . 4.030 1.950 1.792 2.328 0.008 10 0 "[ . 1 . 2]" 1
783 1 59 GLY HA2 1 60 LEU H 3.530 . 3.880 2.507 2.368 2.622 . 0 0 "[ . 1 . 2]" 1
784 1 59 GLY HA2 1 70 PHE QE 4.350 . 4.790 3.503 3.169 3.936 . 0 0 "[ . 1 . 2]" 1
785 1 59 GLY HA3 1 60 LEU H 3.530 . 3.880 2.598 2.455 2.756 . 0 0 "[ . 1 . 2]" 1
786 1 59 GLY HA3 1 70 PHE QE 4.350 . 4.790 1.960 1.798 2.345 0.002 10 0 "[ . 1 . 2]" 1
787 1 60 LEU H 1 60 LEU HB2 3.800 . 4.180 2.913 2.724 3.210 . 0 0 "[ . 1 . 2]" 1
788 1 60 LEU H 1 60 LEU QB 3.210 . 3.530 2.354 2.283 2.530 . 0 0 "[ . 1 . 2]" 1
789 1 60 LEU H 1 60 LEU HB3 3.800 . 4.180 2.490 2.358 2.649 . 0 0 "[ . 1 . 2]" 1
790 1 60 LEU H 1 60 LEU MD2 5.400 . 5.940 4.387 4.313 4.545 . 0 0 "[ . 1 . 2]" 1
791 1 60 LEU HA 1 60 LEU MD1 3.630 . 3.990 2.126 2.017 2.273 . 0 0 "[ . 1 . 2]" 1
792 1 60 LEU HA 1 61 ASN H 3.110 . 3.420 2.170 2.149 2.195 . 0 0 "[ . 1 . 2]" 1
793 1 60 LEU HA 1 67 ARG HA 3.620 . 3.980 2.594 2.107 3.410 . 0 0 "[ . 1 . 2]" 1
794 1 60 LEU HA 1 67 ARG QG 4.440 . 4.880 3.337 2.594 4.899 0.019 2 0 "[ . 1 . 2]" 1
795 1 60 LEU HA 1 68 GLY H 4.490 . 4.940 3.994 3.597 4.917 . 0 0 "[ . 1 . 2]" 1
796 1 60 LEU QB 1 61 ASN H 4.020 . 4.420 3.840 3.717 3.960 . 0 0 "[ . 1 . 2]" 1
797 1 60 LEU HB2 1 60 LEU MD2 3.490 . 3.840 2.421 2.365 2.460 . 0 0 "[ . 1 . 2]" 1
798 1 60 LEU HB2 1 61 ASN H 4.640 . 5.100 4.312 4.171 4.463 . 0 0 "[ . 1 . 2]" 1
799 1 60 LEU HB3 1 60 LEU MD2 3.490 . 3.840 2.323 2.294 2.370 . 0 0 "[ . 1 . 2]" 1
800 1 60 LEU HB3 1 61 ASN H 4.640 . 5.100 4.309 4.174 4.479 . 0 0 "[ . 1 . 2]" 1
801 1 60 LEU MD1 1 61 ASN H 3.560 . 3.920 2.509 2.124 3.030 . 0 0 "[ . 1 . 2]" 1
802 1 60 LEU MD1 1 65 ARG H 4.880 . 5.370 4.379 3.701 5.010 . 0 0 "[ . 1 . 2]" 1
803 1 60 LEU MD1 1 65 ARG HA 3.560 . 3.920 2.818 2.162 3.470 . 0 0 "[ . 1 . 2]" 1
804 1 60 LEU MD1 1 67 ARG HA 4.210 . 4.630 3.062 2.354 3.546 . 0 0 "[ . 1 . 2]" 1
805 1 60 LEU MD1 1 67 ARG QD 3.950 . 4.350 3.120 1.875 4.217 . 0 0 "[ . 1 . 2]" 1
806 1 60 LEU MD1 1 67 ARG QG 3.270 . 3.600 2.409 1.892 3.673 0.073 20 0 "[ . 1 . 2]" 1
807 1 60 LEU MD2 1 62 GLU HA 4.630 . 5.090 4.460 3.777 4.949 . 0 0 "[ . 1 . 2]" 1
808 1 60 LEU MD2 1 62 GLU HG2 4.510 . 4.960 4.389 2.789 4.984 0.024 8 0 "[ . 1 . 2]" 1
809 1 60 LEU MD2 1 65 ARG HA 4.320 . 4.750 4.082 3.540 4.769 0.019 8 0 "[ . 1 . 2]" 1
810 1 60 LEU HG 1 61 ASN H 4.040 . 4.440 3.368 3.018 3.722 . 0 0 "[ . 1 . 2]" 1
811 1 61 ASN H 1 61 ASN HB2 3.830 . 4.210 2.745 2.295 2.906 . 0 0 "[ . 1 . 2]" 1
812 1 61 ASN H 1 61 ASN QB 3.320 . 3.650 2.286 2.218 2.331 . 0 0 "[ . 1 . 2]" 1
813 1 61 ASN H 1 61 ASN HB3 3.830 . 4.210 2.500 2.312 3.569 . 0 0 "[ . 1 . 2]" 1
814 1 61 ASN H 1 66 GLN H 4.540 . 4.990 3.819 3.575 4.096 . 0 0 "[ . 1 . 2]" 1
815 1 61 ASN H 1 67 ARG HA 4.270 . 4.700 3.491 2.896 3.995 . 0 0 "[ . 1 . 2]" 1
816 1 61 ASN HA 1 62 GLU H 3.130 . 3.440 2.220 2.159 2.341 . 0 0 "[ . 1 . 2]" 1
817 1 61 ASN HA 1 62 GLU QB 4.660 . 5.130 4.383 4.256 4.508 . 0 0 "[ . 1 . 2]" 1
818 1 61 ASN HA 1 62 GLU HG2 5.260 . 5.790 4.292 3.842 5.082 . 0 0 "[ . 1 . 2]" 1
819 1 61 ASN QB 1 64 THR H 4.340 . 4.770 3.356 2.304 3.729 . 0 0 "[ . 1 . 2]" 1
820 1 61 ASN QB 1 64 THR HG1 4.250 . 4.680 2.746 2.152 4.741 0.061 7 0 "[ . 1 . 2]" 1
821 1 61 ASN QB 1 65 ARG H 4.590 . 5.050 3.546 2.758 4.261 . 0 0 "[ . 1 . 2]" 1
822 1 61 ASN QB 1 66 GLN H 4.070 . 4.480 2.958 2.157 3.855 . 0 0 "[ . 1 . 2]" 1
823 1 62 GLU H 1 62 GLU QB 3.160 . 3.480 2.355 2.253 2.491 . 0 0 "[ . 1 . 2]" 1
824 1 62 GLU H 1 62 GLU HG2 4.330 . 4.760 2.826 2.374 3.582 . 0 0 "[ . 1 . 2]" 1
825 1 62 GLU H 1 62 GLU HG3 3.780 . 4.160 3.492 2.277 3.996 . 0 0 "[ . 1 . 2]" 1
826 1 62 GLU H 1 63 ARG H 3.790 . 4.170 2.627 2.355 2.792 . 0 0 "[ . 1 . 2]" 1
827 1 62 GLU HA 1 62 GLU HG2 3.620 . 3.980 2.746 2.371 2.917 . 0 0 "[ . 1 . 2]" 1
828 1 62 GLU HA 1 65 ARG H 4.450 . 4.890 3.496 2.860 4.010 . 0 0 "[ . 1 . 2]" 1
829 1 62 GLU QB 1 63 ARG H 3.460 . 3.810 3.004 2.419 3.434 . 0 0 "[ . 1 . 2]" 1
830 1 63 ARG H 1 63 ARG HB2 3.780 . 4.160 2.461 2.202 2.736 . 0 0 "[ . 1 . 2]" 1
831 1 63 ARG H 1 63 ARG QB 3.320 . 3.650 2.304 2.141 2.523 . 0 0 "[ . 1 . 2]" 1
832 1 63 ARG H 1 63 ARG HB3 3.780 . 4.160 2.955 2.454 3.714 . 0 0 "[ . 1 . 2]" 1
833 1 63 ARG H 1 64 THR H 3.460 . 3.810 2.694 2.277 2.911 . 0 0 "[ . 1 . 2]" 1
834 1 63 ARG H 1 64 THR MG 4.610 . 5.070 4.430 4.060 4.892 . 0 0 "[ . 1 . 2]" 1
835 1 63 ARG QB 1 64 THR H 3.570 . 3.930 2.404 2.056 2.960 . 0 0 "[ . 1 . 2]" 1
836 1 63 ARG QB 1 64 THR HA 4.260 . 4.690 4.151 3.737 4.452 . 0 0 "[ . 1 . 2]" 1
837 1 63 ARG QB 1 64 THR MG 3.710 . 4.080 2.722 2.391 3.004 . 0 0 "[ . 1 . 2]" 1
838 1 63 ARG HB2 1 64 THR H 4.260 . 4.690 3.329 2.096 4.022 . 0 0 "[ . 1 . 2]" 1
839 1 63 ARG HB3 1 64 THR H 4.260 . 4.690 2.739 2.078 3.910 . 0 0 "[ . 1 . 2]" 1
840 1 64 THR H 1 64 THR HG1 4.410 . 4.850 2.796 2.270 3.562 . 0 0 "[ . 1 . 2]" 1
841 1 64 THR H 1 64 THR MG 3.360 . 3.700 2.479 2.078 2.874 . 0 0 "[ . 1 . 2]" 1
842 1 64 THR H 1 65 ARG H 3.250 . 3.580 2.255 1.980 2.611 . 0 0 "[ . 1 . 2]" 1
843 1 64 THR H 1 65 ARG HA 4.590 . 5.050 4.469 4.155 4.879 . 0 0 "[ . 1 . 2]" 1
844 1 64 THR H 1 66 GLN H 4.560 . 5.020 3.761 3.342 4.192 . 0 0 "[ . 1 . 2]" 1
845 1 64 THR HA 1 64 THR MG 3.300 . 3.630 2.392 2.343 2.429 . 0 0 "[ . 1 . 2]" 1
846 1 64 THR HB 1 66 GLN H 4.550 . 5.010 3.446 3.068 4.378 . 0 0 "[ . 1 . 2]" 1
847 1 64 THR HB 1 66 GLN HG2 4.730 . 5.200 2.851 2.079 3.902 . 0 0 "[ . 1 . 2]" 1
848 1 64 THR HB 1 66 GLN QG 4.110 . 4.520 2.451 2.046 3.500 . 0 0 "[ . 1 . 2]" 1
849 1 64 THR HB 1 66 GLN HG3 4.730 . 5.200 3.137 2.190 4.510 . 0 0 "[ . 1 . 2]" 1
850 1 64 THR HG1 1 66 GLN H 4.130 . 4.540 3.131 2.661 3.891 . 0 0 "[ . 1 . 2]" 1
851 1 64 THR MG 1 65 ARG H 4.350 . 4.790 4.076 3.911 4.306 . 0 0 "[ . 1 . 2]" 1
852 1 64 THR MG 1 66 GLN HB2 5.080 . 5.590 4.237 3.931 5.421 . 0 0 "[ . 1 . 2]" 1
853 1 64 THR MG 1 66 GLN HG2 5.500 . 6.050 4.326 3.711 5.248 . 0 0 "[ . 1 . 2]" 1
854 1 64 THR MG 1 66 GLN HG3 5.500 . 6.050 4.294 3.674 5.459 . 0 0 "[ . 1 . 2]" 1
855 1 65 ARG H 1 65 ARG QD 4.090 . 4.500 3.068 2.230 4.619 0.119 14 0 "[ . 1 . 2]" 1
856 1 65 ARG H 1 65 ARG HG2 4.350 . 4.790 3.722 2.855 4.729 . 0 0 "[ . 1 . 2]" 1
857 1 65 ARG H 1 65 ARG QG 3.780 . 4.160 3.166 2.727 3.768 . 0 0 "[ . 1 . 2]" 1
858 1 65 ARG H 1 65 ARG HG3 4.350 . 4.790 3.891 2.837 4.553 . 0 0 "[ . 1 . 2]" 1
859 1 65 ARG H 1 66 GLN H 3.480 . 3.830 2.681 2.591 2.778 . 0 0 "[ . 1 . 2]" 1
860 1 65 ARG H 1 66 GLN HB2 4.680 . 5.150 4.967 4.792 5.144 . 0 0 "[ . 1 . 2]" 1
861 1 65 ARG HA 1 65 ARG QD 4.210 . 4.630 2.810 1.792 4.241 0.008 4 0 "[ . 1 . 2]" 1
862 1 65 ARG HA 1 65 ARG QG 3.700 . 4.070 2.653 2.369 3.216 . 0 0 "[ . 1 . 2]" 1
863 1 66 GLN H 1 66 GLN HB2 3.510 . 3.860 2.503 2.367 2.663 . 0 0 "[ . 1 . 2]" 1
864 1 66 GLN H 1 66 GLN HG2 5.280 . 5.810 2.899 2.438 3.817 . 0 0 "[ . 1 . 2]" 1
865 1 66 GLN H 1 66 GLN QG 4.440 . 4.880 2.619 2.410 3.035 . 0 0 "[ . 1 . 2]" 1
866 1 66 GLN H 1 66 GLN HG3 5.280 . 5.810 3.699 2.482 4.307 . 0 0 "[ . 1 . 2]" 1
867 1 66 GLN HA 1 66 GLN QG 3.630 . 3.990 2.852 2.427 3.081 . 0 0 "[ . 1 . 2]" 1
868 1 66 GLN HA 1 67 ARG H 3.100 . 3.410 2.292 2.186 2.429 . 0 0 "[ . 1 . 2]" 1
869 1 66 GLN HB2 1 67 ARG H 4.140 . 4.550 3.859 3.487 4.236 . 0 0 "[ . 1 . 2]" 1
870 1 66 GLN HB3 1 67 ARG H 3.660 . 4.030 2.746 2.288 3.304 . 0 0 "[ . 1 . 2]" 1
871 1 66 GLN QG 1 67 ARG H 4.430 . 4.870 4.322 3.832 4.674 . 0 0 "[ . 1 . 2]" 1
872 1 66 GLN HG2 1 67 ARG H 5.270 . 5.800 4.785 4.021 5.115 . 0 0 "[ . 1 . 2]" 1
873 1 66 GLN HG3 1 67 ARG H 5.270 . 5.800 4.970 4.596 5.407 . 0 0 "[ . 1 . 2]" 1
874 1 67 ARG H 1 67 ARG QB 3.300 . 3.630 2.497 2.245 3.022 . 0 0 "[ . 1 . 2]" 1
875 1 67 ARG HA 1 68 GLY H 3.150 . 3.470 2.255 2.164 2.538 . 0 0 "[ . 1 . 2]" 1
876 1 67 ARG QB 1 68 GLY H 3.700 . 4.070 3.006 2.150 3.692 . 0 0 "[ . 1 . 2]" 1
877 1 67 ARG QG 1 68 GLY H 4.870 . 5.360 3.970 2.540 4.523 . 0 0 "[ . 1 . 2]" 1
878 1 69 ASP H 1 69 ASP QB 3.620 . 3.980 2.448 2.289 2.578 . 0 0 "[ . 1 . 2]" 1
879 1 69 ASP HA 1 70 PHE H 3.470 . 3.820 2.194 2.156 2.300 . 0 0 "[ . 1 . 2]" 1
880 1 69 ASP QB 1 70 PHE H 4.300 . 4.730 3.417 2.837 3.934 . 0 0 "[ . 1 . 2]" 1
881 1 70 PHE H 1 70 PHE QD 4.360 . 4.800 2.527 2.228 2.940 . 0 0 "[ . 1 . 2]" 1
882 1 70 PHE HA 1 70 PHE QD 4.270 . 4.700 3.751 3.743 3.760 . 0 0 "[ . 1 . 2]" 1
883 1 70 PHE HA 1 71 PRO QB 5.230 . 5.750 4.663 4.554 4.787 . 0 0 "[ . 1 . 2]" 1
884 1 70 PHE HA 1 71 PRO HD2 4.050 . 4.460 2.463 2.186 2.919 . 0 0 "[ . 1 . 2]" 1
885 1 70 PHE HA 1 71 PRO QD 3.340 . 3.670 2.007 1.807 2.164 . 0 0 "[ . 1 . 2]" 1
886 1 70 PHE HA 1 71 PRO HD3 4.050 . 4.460 2.216 1.830 2.444 . 0 0 "[ . 1 . 2]" 1
887 1 70 PHE QB 1 71 PRO QD 4.220 . 4.640 2.386 2.055 2.755 . 0 0 "[ . 1 . 2]" 1
888 1 70 PHE QD 1 75 VAL MG1 4.140 . 4.550 2.787 2.380 3.223 . 0 0 "[ . 1 . 2]" 1
889 1 70 PHE QD 1 75 VAL MG2 4.720 . 5.190 3.279 2.516 4.034 . 0 0 "[ . 1 . 2]" 1
890 1 70 PHE QE 1 75 VAL MG1 3.660 . 4.030 2.744 2.128 3.392 . 0 0 "[ . 1 . 2]" 1
891 1 70 PHE QE 1 75 VAL MG2 3.500 . 3.850 1.996 1.783 2.712 0.017 3 0 "[ . 1 . 2]" 1
892 1 70 PHE HZ 1 75 VAL MG1 4.550 . 5.010 4.377 3.586 5.035 0.025 13 0 "[ . 1 . 2]" 1
893 1 70 PHE HZ 1 75 VAL MG2 5.190 . 5.710 3.747 3.316 4.351 . 0 0 "[ . 1 . 2]" 1
894 1 71 PRO HA 1 72 GLY H 3.390 . 3.730 2.194 2.158 2.280 . 0 0 "[ . 1 . 2]" 1
895 1 71 PRO QB 1 73 THR H 4.050 . 4.460 2.990 2.632 3.469 . 0 0 "[ . 1 . 2]" 1
896 1 71 PRO QB 1 74 TYR H 4.400 . 4.840 3.614 2.935 4.116 . 0 0 "[ . 1 . 2]" 1
897 1 71 PRO HB2 1 74 TYR QD 4.570 . 5.030 2.578 1.769 3.428 0.031 19 0 "[ . 1 . 2]" 1
898 1 71 PRO HB3 1 74 TYR QD 4.570 . 5.030 4.035 3.217 4.876 . 0 0 "[ . 1 . 2]" 1
899 1 71 PRO QD 1 74 TYR QD 4.300 . 4.730 3.841 2.197 4.458 . 0 0 "[ . 1 . 2]" 1
900 1 71 PRO QG 1 74 TYR QB 4.300 . 4.730 3.805 2.759 4.761 0.031 16 0 "[ . 1 . 2]" 1
901 1 72 GLY H 1 73 THR H 4.340 . 4.770 2.916 2.719 3.283 . 0 0 "[ . 1 . 2]" 1
902 1 72 GLY QA 1 74 TYR H 4.900 . 5.390 3.524 3.330 3.934 . 0 0 "[ . 1 . 2]" 1
903 1 72 GLY QA 1 75 VAL MG2 3.490 . 3.840 1.963 1.773 2.238 0.027 13 0 "[ . 1 . 2]" 1
904 1 72 GLY HA2 1 75 VAL MG2 4.170 . 4.590 1.987 1.782 2.269 0.018 13 0 "[ . 1 . 2]" 1
905 1 72 GLY HA3 1 75 VAL MG2 4.170 . 4.590 3.097 2.844 3.419 . 0 0 "[ . 1 . 2]" 1
906 1 73 THR H 1 74 TYR H 3.610 . 3.970 2.554 2.081 2.820 . 0 0 "[ . 1 . 2]" 1
907 1 73 THR MG 1 74 TYR H 4.940 . 5.430 3.293 2.296 4.202 . 0 0 "[ . 1 . 2]" 1
908 1 73 THR MG 1 74 TYR QD 5.180 . 5.700 3.578 2.209 4.849 . 0 0 "[ . 1 . 2]" 1
909 1 74 TYR H 1 74 TYR HB2 3.870 . 4.260 2.574 2.360 3.668 . 0 0 "[ . 1 . 2]" 1
910 1 74 TYR H 1 74 TYR HB3 3.870 . 4.260 3.629 2.586 3.734 . 0 0 "[ . 1 . 2]" 1
911 1 74 TYR H 1 74 TYR QD 3.900 . 4.290 2.830 2.013 3.418 . 0 0 "[ . 1 . 2]" 1
912 1 74 TYR H 1 75 VAL H 3.370 . 3.710 2.480 2.266 2.655 . 0 0 "[ . 1 . 2]" 1
913 1 74 TYR H 1 75 VAL MG1 4.080 . 4.490 3.474 3.173 3.770 . 0 0 "[ . 1 . 2]" 1
914 1 74 TYR H 1 75 VAL MG2 4.370 . 4.810 3.502 3.290 3.829 . 0 0 "[ . 1 . 2]" 1
915 1 74 TYR HB2 1 75 VAL MG1 4.390 . 4.830 3.191 2.893 4.411 . 0 0 "[ . 1 . 2]" 1
916 1 74 TYR HB3 1 75 VAL MG1 4.390 . 4.830 3.956 3.486 4.577 . 0 0 "[ . 1 . 2]" 1
917 1 74 TYR QD 1 75 VAL MG1 5.060 . 5.570 4.443 3.046 4.965 . 0 0 "[ . 1 . 2]" 1
918 1 75 VAL H 1 75 VAL MG1 3.690 . 4.060 2.812 2.588 3.013 . 0 0 "[ . 1 . 2]" 1
919 1 75 VAL H 1 75 VAL MG2 3.290 . 3.620 2.208 1.999 2.287 . 0 0 "[ . 1 . 2]" 1
920 1 75 VAL HA 1 75 VAL MG1 3.440 . 3.780 2.391 2.311 2.435 . 0 0 "[ . 1 . 2]" 1
921 1 75 VAL HA 1 76 GLU H 3.290 . 3.620 2.275 2.204 2.395 . 0 0 "[ . 1 . 2]" 1
922 1 75 VAL HB 1 76 GLU H 3.420 . 3.760 2.742 2.390 2.988 . 0 0 "[ . 1 . 2]" 1
923 1 75 VAL MG1 1 76 GLU H 4.010 . 4.410 3.827 3.693 3.947 . 0 0 "[ . 1 . 2]" 1
924 1 75 VAL MG2 1 76 GLU H 4.140 . 4.550 3.614 3.332 3.867 . 0 0 "[ . 1 . 2]" 1
925 1 75 VAL MG2 1 76 GLU HA 4.720 . 5.190 3.875 3.669 4.121 . 0 0 "[ . 1 . 2]" 1
926 1 76 GLU H 1 76 GLU HG2 3.720 . 4.090 2.232 2.047 2.867 . 0 0 "[ . 1 . 2]" 1
927 1 76 GLU H 1 76 GLU HG3 3.870 . 4.260 3.106 2.795 3.788 . 0 0 "[ . 1 . 2]" 1
928 1 76 GLU HA 1 77 PHE H 3.090 . 3.400 2.319 2.200 2.485 . 0 0 "[ . 1 . 2]" 1
929 1 76 GLU QB 1 77 PHE H 3.500 . 3.850 2.694 2.334 3.231 . 0 0 "[ . 1 . 2]" 1
930 1 76 GLU QB 1 78 LEU MD2 4.070 . 4.480 3.911 2.484 4.242 . 0 0 "[ . 1 . 2]" 1
931 1 76 GLU HB2 1 77 PHE H 4.320 . 4.750 2.793 2.356 4.322 . 0 0 "[ . 1 . 2]" 1
932 1 76 GLU HB3 1 77 PHE H 4.320 . 4.750 3.915 3.336 4.147 . 0 0 "[ . 1 . 2]" 1
933 1 76 GLU HG2 1 78 LEU MD2 4.370 . 4.810 3.734 3.120 4.859 0.049 8 0 "[ . 1 . 2]" 1
934 1 76 GLU HG3 1 78 LEU MD2 4.100 . 4.510 2.678 2.205 4.098 . 0 0 "[ . 1 . 2]" 1
935 1 77 PHE H 1 77 PHE HB2 3.870 . 4.260 2.763 2.601 2.929 . 0 0 "[ . 1 . 2]" 1
936 1 77 PHE H 1 77 PHE QB 3.180 . 3.500 2.290 2.222 2.396 . 0 0 "[ . 1 . 2]" 1
937 1 77 PHE H 1 77 PHE HB3 3.870 . 4.260 2.447 2.333 2.543 . 0 0 "[ . 1 . 2]" 1
938 1 77 PHE H 1 77 PHE QD 4.970 . 5.470 4.218 4.159 4.275 . 0 0 "[ . 1 . 2]" 1
939 1 77 PHE HA 1 77 PHE QD 3.400 . 3.740 2.539 2.214 2.753 . 0 0 "[ . 1 . 2]" 1
940 1 77 PHE HA 1 78 LEU H 3.340 . 3.670 2.167 2.148 2.189 . 0 0 "[ . 1 . 2]" 1
941 1 77 PHE HA 1 79 GLY H 4.510 . 4.960 4.258 3.760 4.581 . 0 0 "[ . 1 . 2]" 1
942 1 77 PHE QD 1 78 LEU H 3.880 . 4.270 3.453 2.912 3.833 . 0 0 "[ . 1 . 2]" 1
943 1 77 PHE QD 1 79 GLY H 4.480 . 4.930 3.998 3.428 4.401 . 0 0 "[ . 1 . 2]" 1
944 1 77 PHE QE 1 79 GLY QA 4.280 . 4.710 2.900 2.605 3.197 . 0 0 "[ . 1 . 2]" 1
945 1 77 PHE HZ 1 79 GLY HA2 4.750 . 5.220 2.790 2.440 3.131 . 0 0 "[ . 1 . 2]" 1
946 1 77 PHE HZ 1 79 GLY QA 3.930 . 4.320 2.763 2.423 3.095 . 0 0 "[ . 1 . 2]" 1
947 1 77 PHE HZ 1 79 GLY HA3 4.750 . 5.220 4.470 4.058 4.855 . 0 0 "[ . 1 . 2]" 1
948 1 77 PHE HZ 1 80 PRO QD 4.150 . 4.570 3.301 2.432 4.476 . 0 0 "[ . 1 . 2]" 1
949 1 78 LEU H 1 78 LEU QB 3.590 . 3.950 2.466 2.437 2.502 . 0 0 "[ . 1 . 2]" 1
950 1 78 LEU H 1 78 LEU MD1 5.020 . 5.520 3.771 3.664 3.882 . 0 0 "[ . 1 . 2]" 1
951 1 78 LEU H 1 78 LEU MD2 5.210 . 5.730 3.390 3.101 3.556 . 0 0 "[ . 1 . 2]" 1
952 1 78 LEU H 1 78 LEU HG 4.200 . 4.620 2.479 2.282 2.699 . 0 0 "[ . 1 . 2]" 1
953 1 78 LEU H 1 79 GLY H 3.360 . 3.700 2.562 2.343 2.780 . 0 0 "[ . 1 . 2]" 1
954 1 78 LEU HA 1 78 LEU MD1 4.440 . 4.880 3.872 3.829 3.894 . 0 0 "[ . 1 . 2]" 1
955 1 78 LEU HA 1 78 LEU MD2 3.280 . 3.610 2.048 1.993 2.107 . 0 0 "[ . 1 . 2]" 1
956 1 78 LEU QB 1 78 LEU MD1 3.020 . 3.320 2.111 2.104 2.120 . 0 0 "[ . 1 . 2]" 1
957 1 78 LEU QB 1 79 GLY H 3.440 . 3.780 2.237 2.008 2.619 . 0 0 "[ . 1 . 2]" 1
958 1 78 LEU MD1 1 79 GLY H 4.990 . 5.490 4.254 4.020 4.655 . 0 0 "[ . 1 . 2]" 1
959 1 78 LEU MD2 1 79 GLY H 5.390 . 5.930 4.555 4.495 4.635 . 0 0 "[ . 1 . 2]" 1
960 1 78 LEU HG 1 79 GLY H 4.500 . 4.950 4.179 4.049 4.304 . 0 0 "[ . 1 . 2]" 1
961 1 79 GLY H 1 80 PRO QD 4.850 . 5.330 4.368 4.310 4.409 . 0 0 "[ . 1 . 2]" 1
962 1 79 GLY QA 1 80 PRO QD 2.920 . 3.210 2.049 1.966 2.097 . 0 0 "[ . 1 . 2]" 1
963 1 79 GLY HA2 1 80 PRO HD2 3.780 . 4.160 3.154 2.751 3.496 . 0 0 "[ . 1 . 2]" 1
964 1 79 GLY HA2 1 80 PRO HD3 3.780 . 4.160 2.501 2.092 2.928 . 0 0 "[ . 1 . 2]" 1
965 1 79 GLY HA3 1 80 PRO HD2 3.780 . 4.160 2.479 2.076 2.946 . 0 0 "[ . 1 . 2]" 1
966 1 79 GLY HA3 1 80 PRO HD3 3.780 . 4.160 2.891 2.547 3.301 . 0 0 "[ . 1 . 2]" 1
967 1 80 PRO HA 1 81 LEU H 3.310 . 3.640 2.361 2.192 2.583 . 0 0 "[ . 1 . 2]" 1
968 1 80 PRO QB 1 81 LEU H 3.750 . 4.130 2.749 2.198 3.221 . 0 0 "[ . 1 . 2]" 1
969 1 80 PRO HB2 1 81 LEU H 4.330 . 4.760 2.931 2.227 3.584 . 0 0 "[ . 1 . 2]" 1
970 1 80 PRO HB3 1 81 LEU H 4.330 . 4.760 3.499 2.977 3.922 . 0 0 "[ . 1 . 2]" 1
971 1 80 PRO QG 1 81 LEU H 4.370 . 4.810 4.344 3.810 4.830 0.020 8 0 "[ . 1 . 2]" 1
972 1 81 LEU H 1 81 LEU HB2 3.790 . 4.170 2.876 2.363 3.788 . 0 0 "[ . 1 . 2]" 1
973 1 81 LEU H 1 81 LEU QB 3.310 . 3.640 2.621 2.332 3.172 . 0 0 "[ . 1 . 2]" 1
974 1 81 LEU H 1 81 LEU HB3 3.790 . 4.170 3.483 2.839 3.763 . 0 0 "[ . 1 . 2]" 1
975 1 81 LEU H 1 81 LEU MD1 4.520 . 4.970 2.652 1.789 3.762 0.011 18 0 "[ . 1 . 2]" 1
976 1 81 LEU H 1 81 LEU MD2 5.040 . 5.540 3.744 2.419 4.312 . 0 0 "[ . 1 . 2]" 1
977 1 81 LEU H 1 81 LEU HG 4.160 . 4.580 2.832 1.789 3.800 0.011 13 0 "[ . 1 . 2]" 1
978 1 81 LEU HA 1 81 LEU MD1 4.330 . 4.760 3.437 2.766 4.173 . 0 0 "[ . 1 . 2]" 1
979 1 81 LEU HA 1 81 LEU MD2 4.540 . 4.990 3.474 1.978 4.100 . 0 0 "[ . 1 . 2]" 1
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