NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561525 |
2lyh   |
18725 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lyh
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 1128
_Distance_constraint_stats_list.Viol_count 2002
_Distance_constraint_stats_list.Viol_total 1411.610
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0144
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0353
_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 27 PRO 0.921 0.211 19 0 "[ . 1 . 2]"
1 28 LEU 1.304 0.211 19 0 "[ . 1 . 2]"
1 29 LEU 0.382 0.054 13 0 "[ . 1 . 2]"
1 30 GLY 0.413 0.119 17 0 "[ . 1 . 2]"
1 31 LYS 0.413 0.119 17 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.603 0.128 4 0 "[ . 1 . 2]"
1 35 LEU 0.603 0.128 4 0 "[ . 1 . 2]"
1 36 LEU 1.038 0.150 15 0 "[ . 1 . 2]"
1 37 LEU 0.681 0.156 3 0 "[ . 1 . 2]"
1 38 SER 0.863 0.149 2 0 "[ . 1 . 2]"
1 39 GLU 0.588 0.156 3 0 "[ . 1 . 2]"
1 40 PRO 0.157 0.058 7 0 "[ . 1 . 2]"
1 41 SER 0.937 0.099 11 0 "[ . 1 . 2]"
1 42 LEU 2.653 0.116 19 0 "[ . 1 . 2]"
1 43 LEU 0.781 0.096 6 0 "[ . 1 . 2]"
1 44 ARG 2.492 0.116 19 0 "[ . 1 . 2]"
1 45 THR 1.909 0.081 3 0 "[ . 1 . 2]"
1 46 VAL 1.353 0.105 8 0 "[ . 1 . 2]"
1 47 GLN 2.269 0.082 17 0 "[ . 1 . 2]"
1 48 GLN 1.214 0.163 3 0 "[ . 1 . 2]"
1 49 ILE 2.446 0.163 3 0 "[ . 1 . 2]"
1 50 PRO 0.944 0.052 20 0 "[ . 1 . 2]"
1 51 GLY 0.120 0.048 15 0 "[ . 1 . 2]"
1 52 VAL 1.386 0.061 18 0 "[ . 1 . 2]"
1 53 GLY 0.119 0.044 6 0 "[ . 1 . 2]"
1 54 LYS 1.730 0.069 19 0 "[ . 1 . 2]"
1 55 VAL 2.551 0.081 8 0 "[ . 1 . 2]"
1 56 LYS 2.740 0.177 5 0 "[ . 1 . 2]"
1 57 ALA 1.025 0.081 8 0 "[ . 1 . 2]"
1 58 PRO 1.263 0.084 12 0 "[ . 1 . 2]"
1 59 LEU 2.456 0.112 12 0 "[ . 1 . 2]"
1 60 LEU 1.673 0.121 20 0 "[ . 1 . 2]"
1 61 LEU 0.765 0.053 14 0 "[ . 1 . 2]"
1 62 GLN 1.036 0.164 3 0 "[ . 1 . 2]"
1 63 LYS 1.542 0.164 3 0 "[ . 1 . 2]"
1 64 PHE 4.543 0.182 11 0 "[ . 1 . 2]"
1 65 PRO 1.352 0.084 15 0 "[ . 1 . 2]"
1 66 SER 0.885 0.089 14 0 "[ . 1 . 2]"
1 67 ILE 2.778 0.089 14 0 "[ . 1 . 2]"
1 68 GLN 0.046 0.033 3 0 "[ . 1 . 2]"
1 69 GLN 3.843 0.103 16 0 "[ . 1 . 2]"
1 70 LEU 4.066 0.182 11 0 "[ . 1 . 2]"
1 71 SER 2.263 0.076 19 0 "[ . 1 . 2]"
1 72 ASN 1.659 0.081 9 0 "[ . 1 . 2]"
1 73 ALA 3.114 0.146 6 0 "[ . 1 . 2]"
1 74 SER 1.300 0.074 17 0 "[ . 1 . 2]"
1 75 ILE 1.561 0.065 12 0 "[ . 1 . 2]"
1 76 GLY 0.866 0.074 17 0 "[ . 1 . 2]"
1 77 GLU 3.188 0.130 14 0 "[ . 1 . 2]"
1 78 LEU 3.494 0.129 9 0 "[ . 1 . 2]"
1 79 GLU 3.974 0.121 7 0 "[ . 1 . 2]"
1 80 GLN 3.795 0.145 20 0 "[ . 1 . 2]"
1 81 VAL 7.256 0.177 5 0 "[ . 1 . 2]"
1 82 VAL 3.374 0.174 7 0 "[ . 1 . 2]"
1 83 GLY 2.341 0.121 7 0 "[ . 1 . 2]"
1 84 GLN 0.560 0.088 13 0 "[ . 1 . 2]"
1 85 ALA 0.332 0.077 3 0 "[ . 1 . 2]"
1 86 VAL 4.988 0.254 2 0 "[ . 1 . 2]"
1 87 ALA 6.799 0.254 2 0 "[ . 1 . 2]"
1 88 GLN 4.160 0.152 12 0 "[ . 1 . 2]"
1 89 GLN 0.974 0.059 20 0 "[ . 1 . 2]"
1 90 ILE 1.625 0.061 18 0 "[ . 1 . 2]"
1 91 HIS 1.224 0.066 17 0 "[ . 1 . 2]"
1 92 ALA 2.550 0.152 12 0 "[ . 1 . 2]"
1 93 PHE 3.316 0.091 15 0 "[ . 1 . 2]"
1 94 PHE 1.781 0.071 20 0 "[ . 1 . 2]"
1 95 THR 2.067 0.071 20 0 "[ . 1 . 2]"
1 96 GLN 0.450 0.033 3 0 "[ . 1 . 2]"
1 97 PRO 1.319 0.151 5 0 "[ . 1 . 2]"
1 98 ARG 2.387 0.151 5 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 27 PRO HA 1 28 LEU H 3.490 . 3.490 2.421 2.008 3.545 0.055 2 0 "[ . 1 . 2]" 1
2 1 27 PRO HA 1 28 LEU QB 4.220 . 4.220 4.222 4.077 4.431 0.211 19 0 "[ . 1 . 2]" 1
3 1 27 PRO QB 1 28 LEU H 3.790 . 3.790 3.389 2.235 3.850 0.060 19 0 "[ . 1 . 2]" 1
4 1 28 LEU H 1 28 LEU QB 3.070 . 3.070 2.454 2.223 2.970 . 0 0 "[ . 1 . 2]" 1
5 1 28 LEU H 1 29 LEU H 3.780 . 3.780 2.833 1.823 3.814 0.034 2 0 "[ . 1 . 2]" 1
6 1 28 LEU HA 1 29 LEU H 3.460 . 3.460 3.055 2.078 3.514 0.054 13 0 "[ . 1 . 2]" 1
7 1 28 LEU QB 1 29 LEU H 3.980 . 3.980 2.980 1.875 3.950 . 0 0 "[ . 1 . 2]" 1
8 1 30 GLY H 1 31 LYS H 4.210 . 4.210 4.203 4.083 4.329 0.119 17 0 "[ . 1 . 2]" 1
9 1 32 LYS H 1 32 LYS QB 3.790 . 3.790 2.580 2.259 3.157 . 0 0 "[ . 1 . 2]" 1
10 1 32 LYS H 1 32 LYS QG 4.520 . 4.520 3.209 2.085 4.290 . 0 0 "[ . 1 . 2]" 1
11 1 32 LYS HA 1 33 ARG H 3.370 . 3.370 2.191 2.077 2.439 . 0 0 "[ . 1 . 2]" 1
12 1 32 LYS QG 1 33 ARG H 5.010 . 5.010 3.812 2.340 4.940 . 0 0 "[ . 1 . 2]" 1
13 1 33 ARG HA 1 34 ALA H 3.290 . 3.290 2.121 2.012 2.310 . 0 0 "[ . 1 . 2]" 1
14 1 33 ARG QB 1 34 ALA H 4.480 . 4.480 3.708 2.773 3.966 . 0 0 "[ . 1 . 2]" 1
15 1 34 ALA H 1 34 ALA MB 3.560 . 3.560 2.434 2.222 2.796 . 0 0 "[ . 1 . 2]" 1
16 1 34 ALA H 1 35 LEU H 4.430 . 4.430 4.056 3.434 4.374 . 0 0 "[ . 1 . 2]" 1
17 1 34 ALA H 1 35 LEU QB 4.900 . 4.900 4.802 4.069 5.028 0.128 4 0 "[ . 1 . 2]" 1
18 1 34 ALA HA 1 35 LEU H 3.000 . 3.000 2.154 2.069 2.403 . 0 0 "[ . 1 . 2]" 1
19 1 34 ALA MB 1 35 LEU H 3.690 . 3.690 3.284 2.490 3.460 . 0 0 "[ . 1 . 2]" 1
20 1 35 LEU H 1 35 LEU QB 3.080 . 3.080 2.480 2.204 2.997 . 0 0 "[ . 1 . 2]" 1
21 1 35 LEU H 1 35 LEU MD1 5.390 . 5.390 4.245 3.803 4.467 . 0 0 "[ . 1 . 2]" 1
22 1 35 LEU H 1 35 LEU QD 4.660 . 4.660 3.546 1.737 4.009 . 0 0 "[ . 1 . 2]" 1
23 1 35 LEU H 1 35 LEU MD2 5.390 . 5.390 3.968 1.739 4.631 . 0 0 "[ . 1 . 2]" 1
24 1 35 LEU HA 1 36 LEU H 3.090 . 3.090 2.131 2.052 2.298 . 0 0 "[ . 1 . 2]" 1
25 1 36 LEU H 1 36 LEU QB 2.980 . 2.980 2.515 2.267 3.079 0.099 5 0 "[ . 1 . 2]" 1
26 1 36 LEU H 1 36 LEU MD1 4.690 . 4.690 3.820 1.763 4.596 . 0 0 "[ . 1 . 2]" 1
27 1 36 LEU H 1 36 LEU QD 3.970 . 3.970 2.872 1.678 3.991 0.021 16 0 "[ . 1 . 2]" 1
28 1 36 LEU H 1 36 LEU MD2 4.690 . 4.690 3.260 1.680 4.598 . 0 0 "[ . 1 . 2]" 1
29 1 36 LEU HA 1 36 LEU MD1 4.180 . 4.180 2.967 2.032 4.131 . 0 0 "[ . 1 . 2]" 1
30 1 36 LEU HA 1 36 LEU QD 3.500 . 3.500 2.455 1.939 3.400 . 0 0 "[ . 1 . 2]" 1
31 1 36 LEU HA 1 36 LEU MD2 4.180 . 4.180 3.163 2.068 3.917 . 0 0 "[ . 1 . 2]" 1
32 1 36 LEU QB 1 38 SER H 4.680 . 4.680 4.193 3.382 4.770 0.090 5 0 "[ . 1 . 2]" 1
33 1 36 LEU QB 1 38 SER HA 5.500 . 5.500 4.952 4.155 5.567 0.067 9 0 "[ . 1 . 2]" 1
34 1 36 LEU QD 1 37 LEU H 3.930 . 3.930 3.205 1.654 4.080 0.150 15 0 "[ . 1 . 2]" 1
35 1 36 LEU QD 1 38 SER H 5.010 . 5.010 4.500 2.981 5.088 0.078 19 0 "[ . 1 . 2]" 1
36 1 36 LEU MD1 1 37 LEU H 4.890 . 4.890 3.772 1.657 4.963 0.073 14 0 "[ . 1 . 2]" 1
37 1 36 LEU MD2 1 37 LEU H 4.890 . 4.890 4.146 2.655 4.863 . 0 0 "[ . 1 . 2]" 1
38 1 37 LEU H 1 37 LEU QB 2.980 . 2.980 2.528 2.194 3.005 0.025 15 0 "[ . 1 . 2]" 1
39 1 37 LEU H 1 37 LEU MD1 5.500 . 5.500 3.667 1.708 4.487 . 0 0 "[ . 1 . 2]" 1
40 1 37 LEU H 1 37 LEU QD 4.830 . 4.830 3.224 1.701 3.883 . 0 0 "[ . 1 . 2]" 1
41 1 37 LEU H 1 37 LEU MD2 5.500 . 5.500 3.842 1.847 4.348 . 0 0 "[ . 1 . 2]" 1
42 1 37 LEU QD 1 38 SER H 5.440 . 5.440 3.638 2.831 4.339 . 0 0 "[ . 1 . 2]" 1
43 1 37 LEU QD 1 38 SER HA 5.320 . 5.320 3.948 3.003 5.070 . 0 0 "[ . 1 . 2]" 1
44 1 37 LEU QD 1 39 GLU H 4.650 . 4.650 3.998 2.802 4.806 0.156 3 0 "[ . 1 . 2]" 1
45 1 38 SER H 1 38 SER QB 3.510 . 3.510 2.547 2.222 2.822 . 0 0 "[ . 1 . 2]" 1
46 1 38 SER H 1 39 GLU H 4.710 . 4.710 4.135 3.706 4.519 . 0 0 "[ . 1 . 2]" 1
47 1 38 SER HA 1 39 GLU H 3.080 . 3.080 2.132 1.991 2.267 . 0 0 "[ . 1 . 2]" 1
48 1 38 SER QB 1 39 GLU H 3.610 . 3.610 3.510 2.888 3.759 0.149 2 0 "[ . 1 . 2]" 1
49 1 39 GLU H 1 39 GLU QB 3.240 . 3.240 2.453 2.153 3.095 . 0 0 "[ . 1 . 2]" 1
50 1 39 GLU H 1 39 GLU QG 5.020 . 5.020 2.990 1.855 4.334 . 0 0 "[ . 1 . 2]" 1
51 1 39 GLU H 1 40 PRO QD 4.850 . 4.850 4.225 3.725 4.451 . 0 0 "[ . 1 . 2]" 1
52 1 39 GLU HA 1 40 PRO HD2 3.760 . 3.760 2.527 2.034 3.093 . 0 0 "[ . 1 . 2]" 1
53 1 39 GLU HA 1 40 PRO QD 3.200 . 3.200 2.007 1.858 2.199 . 0 0 "[ . 1 . 2]" 1
54 1 39 GLU HA 1 40 PRO HD3 3.760 . 3.760 2.215 1.873 2.773 . 0 0 "[ . 1 . 2]" 1
55 1 40 PRO HB2 1 41 SER H 4.500 . 4.500 3.618 1.927 4.295 . 0 0 "[ . 1 . 2]" 1
56 1 40 PRO HB3 1 41 SER H 4.500 . 4.500 4.150 3.256 4.558 0.058 7 0 "[ . 1 . 2]" 1
57 1 41 SER H 1 41 SER QB 3.680 . 3.680 2.807 2.343 3.427 . 0 0 "[ . 1 . 2]" 1
58 1 41 SER H 1 42 LEU H 4.300 . 4.300 3.273 1.986 4.302 0.002 12 0 "[ . 1 . 2]" 1
59 1 41 SER HA 1 43 LEU H 4.230 . 4.230 3.391 2.979 3.949 . 0 0 "[ . 1 . 2]" 1
60 1 41 SER HA 1 43 LEU QD 3.910 . 3.910 2.478 1.974 3.228 . 0 0 "[ . 1 . 2]" 1
61 1 41 SER HA 1 44 ARG H 4.540 . 4.540 4.128 3.442 4.546 0.006 10 0 "[ . 1 . 2]" 1
62 1 41 SER HA 1 44 ARG QD 4.530 . 4.530 4.289 3.025 4.618 0.088 10 0 "[ . 1 . 2]" 1
63 1 41 SER QB 1 42 LEU H 4.100 . 4.100 3.795 3.201 4.033 . 0 0 "[ . 1 . 2]" 1
64 1 41 SER QB 1 44 ARG QB 4.070 . 4.070 3.412 2.843 3.892 . 0 0 "[ . 1 . 2]" 1
65 1 41 SER QB 1 44 ARG QD 3.450 . 3.450 2.149 1.881 2.709 . 0 0 "[ . 1 . 2]" 1
66 1 41 SER QB 1 44 ARG QG 3.950 . 3.950 2.999 2.110 3.787 . 0 0 "[ . 1 . 2]" 1
67 1 41 SER HB2 1 42 LEU H 4.930 . 4.930 4.279 3.308 4.572 . 0 0 "[ . 1 . 2]" 1
68 1 41 SER HB2 1 44 ARG QB 4.690 . 4.690 4.059 3.070 4.789 0.099 11 0 "[ . 1 . 2]" 1
69 1 41 SER HB3 1 42 LEU H 4.930 . 4.930 4.306 3.664 4.663 . 0 0 "[ . 1 . 2]" 1
70 1 41 SER HB3 1 44 ARG QB 4.690 . 4.690 3.870 2.937 4.771 0.081 15 0 "[ . 1 . 2]" 1
71 1 42 LEU H 1 43 LEU H 4.350 . 4.350 2.420 2.024 3.013 . 0 0 "[ . 1 . 2]" 1
72 1 42 LEU H 1 43 LEU HB3 5.500 . 5.500 4.740 4.166 5.410 . 0 0 "[ . 1 . 2]" 1
73 1 42 LEU H 1 44 ARG H 5.010 . 5.010 4.174 3.875 4.437 . 0 0 "[ . 1 . 2]" 1
74 1 42 LEU H 1 44 ARG QD 5.310 . 5.310 5.333 5.027 5.426 0.116 19 0 "[ . 1 . 2]" 1
75 1 42 LEU H 1 44 ARG QG 5.500 . 5.500 4.564 4.187 5.206 . 0 0 "[ . 1 . 2]" 1
76 1 42 LEU H 1 45 THR H 5.310 . 5.310 5.202 4.872 5.364 0.054 10 0 "[ . 1 . 2]" 1
77 1 42 LEU HA 1 42 LEU MD1 3.700 . 3.700 2.976 1.995 3.763 0.063 17 0 "[ . 1 . 2]" 1
78 1 42 LEU HA 1 42 LEU QD 3.080 . 3.080 2.257 1.903 2.964 . 0 0 "[ . 1 . 2]" 1
79 1 42 LEU HA 1 42 LEU MD2 3.700 . 3.700 2.850 1.909 3.813 0.113 11 0 "[ . 1 . 2]" 1
80 1 42 LEU HA 1 44 ARG H 4.460 . 4.460 3.824 3.594 4.203 . 0 0 "[ . 1 . 2]" 1
81 1 42 LEU HA 1 45 THR H 3.590 . 3.590 3.294 2.937 3.585 . 0 0 "[ . 1 . 2]" 1
82 1 42 LEU HA 1 45 THR HB 3.530 . 3.530 3.202 2.709 3.558 0.028 4 0 "[ . 1 . 2]" 1
83 1 42 LEU HA 1 46 VAL H 4.820 . 4.820 4.219 3.707 4.819 . 0 0 "[ . 1 . 2]" 1
84 1 42 LEU QB 1 43 LEU H 3.430 . 3.430 2.874 2.587 3.067 . 0 0 "[ . 1 . 2]" 1
85 1 42 LEU QD 1 44 ARG H 5.330 . 5.330 4.634 4.316 5.009 . 0 0 "[ . 1 . 2]" 1
86 1 42 LEU QD 1 45 THR H 3.950 . 3.950 3.708 3.461 3.950 0.000 19 0 "[ . 1 . 2]" 1
87 1 42 LEU QD 1 45 THR HB 3.710 . 3.710 2.584 2.072 3.114 . 0 0 "[ . 1 . 2]" 1
88 1 42 LEU QD 1 45 THR MG 3.510 . 3.510 3.317 2.830 3.545 0.035 10 0 "[ . 1 . 2]" 1
89 1 42 LEU QD 1 46 VAL H 3.910 . 3.910 3.336 2.782 4.015 0.105 8 0 "[ . 1 . 2]" 1
90 1 42 LEU QD 1 93 PHE QE 4.710 . 4.710 3.581 2.299 4.566 . 0 0 "[ . 1 . 2]" 1
91 1 43 LEU H 1 43 LEU HB2 3.660 . 3.660 3.645 3.574 3.682 0.022 19 0 "[ . 1 . 2]" 1
92 1 43 LEU H 1 43 LEU HB3 3.080 . 3.080 2.548 2.395 2.698 . 0 0 "[ . 1 . 2]" 1
93 1 43 LEU H 1 43 LEU QD 3.730 . 3.730 1.966 1.660 2.839 . 0 0 "[ . 1 . 2]" 1
94 1 43 LEU H 1 43 LEU HG 4.540 . 4.540 3.471 2.420 3.844 . 0 0 "[ . 1 . 2]" 1
95 1 43 LEU H 1 44 ARG H 3.170 . 3.170 2.742 2.607 2.919 . 0 0 "[ . 1 . 2]" 1
96 1 43 LEU H 1 44 ARG HA 5.500 . 5.500 5.315 5.196 5.488 . 0 0 "[ . 1 . 2]" 1
97 1 43 LEU H 1 46 VAL H 5.010 . 5.010 4.604 4.465 4.764 . 0 0 "[ . 1 . 2]" 1
98 1 43 LEU H 1 46 VAL HB 5.140 . 5.140 4.581 4.224 5.000 . 0 0 "[ . 1 . 2]" 1
99 1 43 LEU HA 1 43 LEU QD 3.530 . 3.530 3.392 3.365 3.451 . 0 0 "[ . 1 . 2]" 1
100 1 43 LEU HA 1 43 LEU HG 4.110 . 4.110 3.804 3.677 3.869 . 0 0 "[ . 1 . 2]" 1
101 1 43 LEU HA 1 46 VAL H 3.670 . 3.670 3.123 2.802 3.552 . 0 0 "[ . 1 . 2]" 1
102 1 43 LEU HA 1 46 VAL HB 3.490 . 3.490 2.637 2.207 3.416 . 0 0 "[ . 1 . 2]" 1
103 1 43 LEU HA 1 46 VAL QG 3.590 . 3.590 1.943 1.858 2.098 . 0 0 "[ . 1 . 2]" 1
104 1 43 LEU HA 1 67 ILE HG12 4.740 . 4.740 3.587 2.843 3.935 . 0 0 "[ . 1 . 2]" 1
105 1 43 LEU HA 1 67 ILE HG13 5.130 . 5.130 4.413 3.718 4.840 . 0 0 "[ . 1 . 2]" 1
106 1 43 LEU HB2 1 44 ARG H 4.230 . 4.230 4.041 3.757 4.181 . 0 0 "[ . 1 . 2]" 1
107 1 43 LEU HB2 1 46 VAL QG 4.080 . 4.080 3.035 2.679 3.596 . 0 0 "[ . 1 . 2]" 1
108 1 43 LEU HB2 1 67 ILE HB 4.610 . 4.610 4.580 4.359 4.666 0.056 16 0 "[ . 1 . 2]" 1
109 1 43 LEU HB2 1 67 ILE MD 3.710 . 3.710 2.791 2.183 3.182 . 0 0 "[ . 1 . 2]" 1
110 1 43 LEU HB2 1 68 GLN HA 4.370 . 4.370 3.231 2.618 4.158 . 0 0 "[ . 1 . 2]" 1
111 1 43 LEU HB3 1 43 LEU MD1 3.490 . 3.490 2.481 2.355 3.134 . 0 0 "[ . 1 . 2]" 1
112 1 43 LEU HB3 1 43 LEU QD 2.970 . 2.970 2.130 2.108 2.149 . 0 0 "[ . 1 . 2]" 1
113 1 43 LEU HB3 1 43 LEU MD2 3.490 . 3.490 2.356 2.164 2.460 . 0 0 "[ . 1 . 2]" 1
114 1 43 LEU HB3 1 46 VAL QG 4.230 . 4.230 3.567 3.208 3.867 . 0 0 "[ . 1 . 2]" 1
115 1 43 LEU HB3 1 68 GLN H 5.050 . 5.050 4.477 3.915 4.959 . 0 0 "[ . 1 . 2]" 1
116 1 43 LEU HB3 1 68 GLN HA 4.370 . 4.370 3.476 3.015 4.403 0.033 3 0 "[ . 1 . 2]" 1
117 1 43 LEU QD 1 44 ARG H 3.570 . 3.570 2.390 1.827 2.884 . 0 0 "[ . 1 . 2]" 1
118 1 43 LEU QD 1 68 GLN QB 3.480 . 3.480 2.520 1.994 3.416 . 0 0 "[ . 1 . 2]" 1
119 1 43 LEU MD1 1 44 ARG HA 5.500 . 5.500 4.634 2.538 4.980 . 0 0 "[ . 1 . 2]" 1
120 1 43 LEU MD2 1 44 ARG HA 5.500 . 5.500 4.415 3.710 5.124 . 0 0 "[ . 1 . 2]" 1
121 1 43 LEU HG 1 44 ARG H 4.580 . 4.580 2.828 2.230 3.112 . 0 0 "[ . 1 . 2]" 1
122 1 43 LEU HG 1 44 ARG HA 3.880 . 3.880 3.599 3.349 3.976 0.096 6 0 "[ . 1 . 2]" 1
123 1 43 LEU HG 1 44 ARG QB 3.890 . 3.890 3.572 3.209 3.894 0.004 17 0 "[ . 1 . 2]" 1
124 1 43 LEU HG 1 45 THR H 5.210 . 5.210 5.109 4.586 5.237 0.027 15 0 "[ . 1 . 2]" 1
125 1 44 ARG H 1 44 ARG QB 2.650 . 2.650 2.496 2.328 2.664 0.014 3 0 "[ . 1 . 2]" 1
126 1 44 ARG H 1 44 ARG QD 4.370 . 4.370 3.664 3.377 3.910 . 0 0 "[ . 1 . 2]" 1
127 1 44 ARG H 1 44 ARG QG 2.900 . 2.900 2.230 1.889 2.651 . 0 0 "[ . 1 . 2]" 1
128 1 44 ARG H 1 45 THR H 2.890 . 2.890 2.507 2.332 2.823 . 0 0 "[ . 1 . 2]" 1
129 1 44 ARG H 1 45 THR HB 5.110 . 5.110 4.781 4.411 5.111 0.001 18 0 "[ . 1 . 2]" 1
130 1 44 ARG H 1 46 VAL H 4.510 . 4.510 3.843 3.667 4.033 . 0 0 "[ . 1 . 2]" 1
131 1 44 ARG H 1 67 ILE MD 5.500 . 5.500 5.124 4.792 5.509 0.009 17 0 "[ . 1 . 2]" 1
132 1 44 ARG HA 1 44 ARG QD 4.500 . 4.500 4.405 4.234 4.564 0.064 13 0 "[ . 1 . 2]" 1
133 1 44 ARG HA 1 44 ARG QG 3.580 . 3.580 3.352 3.317 3.379 . 0 0 "[ . 1 . 2]" 1
134 1 44 ARG HA 1 47 GLN H 4.360 . 4.360 4.032 3.644 4.335 . 0 0 "[ . 1 . 2]" 1
135 1 44 ARG HA 1 47 GLN HG2 3.750 . 3.750 2.863 2.320 3.266 . 0 0 "[ . 1 . 2]" 1
136 1 44 ARG HA 1 67 ILE HG12 5.330 . 5.330 4.900 4.384 5.326 . 0 0 "[ . 1 . 2]" 1
137 1 44 ARG QB 1 44 ARG QD 3.300 . 3.300 2.229 2.091 2.407 . 0 0 "[ . 1 . 2]" 1
138 1 44 ARG QB 1 45 THR H 3.590 . 3.590 3.510 3.291 3.608 0.018 1 0 "[ . 1 . 2]" 1
139 1 44 ARG QB 1 46 VAL H 5.320 . 5.320 5.115 4.992 5.285 . 0 0 "[ . 1 . 2]" 1
140 1 44 ARG QB 1 47 GLN QE 4.350 . 4.350 3.643 2.669 4.397 0.047 19 0 "[ . 1 . 2]" 1
141 1 44 ARG QB 1 47 GLN HG2 4.620 . 4.620 4.370 3.834 4.653 0.033 15 0 "[ . 1 . 2]" 1
142 1 44 ARG QG 1 45 THR H 3.340 . 3.340 2.291 1.965 2.526 . 0 0 "[ . 1 . 2]" 1
143 1 44 ARG QG 1 45 THR HB 4.150 . 4.150 3.857 3.423 4.164 0.014 1 0 "[ . 1 . 2]" 1
144 1 44 ARG QG 1 45 THR MG 4.400 . 4.400 4.194 3.970 4.415 0.015 13 0 "[ . 1 . 2]" 1
145 1 45 THR H 1 45 THR HB 2.770 . 2.770 2.501 2.356 2.597 . 0 0 "[ . 1 . 2]" 1
146 1 45 THR H 1 45 THR MG 3.870 . 3.870 3.732 3.711 3.754 . 0 0 "[ . 1 . 2]" 1
147 1 45 THR H 1 46 VAL H 2.980 . 2.980 2.292 2.226 2.372 . 0 0 "[ . 1 . 2]" 1
148 1 45 THR H 1 46 VAL HA 5.180 . 5.180 4.898 4.835 4.988 . 0 0 "[ . 1 . 2]" 1
149 1 45 THR H 1 46 VAL HB 4.560 . 4.560 4.196 4.021 4.433 . 0 0 "[ . 1 . 2]" 1
150 1 45 THR H 1 46 VAL QG 4.760 . 4.760 4.081 3.884 4.193 . 0 0 "[ . 1 . 2]" 1
151 1 45 THR H 1 47 GLN H 4.090 . 4.090 4.012 3.875 4.103 0.013 15 0 "[ . 1 . 2]" 1
152 1 45 THR HA 1 45 THR MG 3.080 . 3.080 2.333 2.263 2.448 . 0 0 "[ . 1 . 2]" 1
153 1 45 THR HA 1 46 VAL HA 5.230 . 5.230 4.779 4.742 4.816 . 0 0 "[ . 1 . 2]" 1
154 1 45 THR HA 1 47 GLN H 3.980 . 3.980 3.991 3.958 4.013 0.033 19 0 "[ . 1 . 2]" 1
155 1 45 THR HA 1 48 GLN H 3.750 . 3.750 3.453 3.269 3.676 . 0 0 "[ . 1 . 2]" 1
156 1 45 THR HA 1 48 GLN QB 3.890 . 3.890 2.792 2.414 3.147 . 0 0 "[ . 1 . 2]" 1
157 1 45 THR HA 1 48 GLN QG 4.450 . 4.450 2.857 2.129 3.394 . 0 0 "[ . 1 . 2]" 1
158 1 45 THR HB 1 46 VAL H 3.020 . 3.020 2.789 2.521 2.942 . 0 0 "[ . 1 . 2]" 1
159 1 45 THR HB 1 46 VAL HB 4.870 . 4.870 4.168 3.937 4.381 . 0 0 "[ . 1 . 2]" 1
160 1 45 THR HB 1 93 PHE QE 5.410 . 5.410 4.030 3.252 4.722 . 0 0 "[ . 1 . 2]" 1
161 1 45 THR MG 1 46 VAL H 3.810 . 3.810 3.732 3.562 3.816 0.006 9 0 "[ . 1 . 2]" 1
162 1 45 THR MG 1 46 VAL HA 4.060 . 4.060 3.725 3.497 3.883 . 0 0 "[ . 1 . 2]" 1
163 1 45 THR MG 1 47 GLN H 4.850 . 4.850 4.851 4.786 4.891 0.041 14 0 "[ . 1 . 2]" 1
164 1 45 THR MG 1 48 GLN H 4.010 . 4.010 4.050 4.016 4.091 0.081 3 0 "[ . 1 . 2]" 1
165 1 45 THR MG 1 49 ILE H 5.500 . 5.500 4.962 4.533 5.411 . 0 0 "[ . 1 . 2]" 1
166 1 45 THR MG 1 93 PHE QE 3.730 . 3.730 2.643 2.056 3.344 . 0 0 "[ . 1 . 2]" 1
167 1 46 VAL H 1 46 VAL HB 2.790 . 2.790 2.194 2.122 2.320 . 0 0 "[ . 1 . 2]" 1
168 1 46 VAL H 1 46 VAL MG1 3.710 . 3.710 2.679 2.474 2.827 . 0 0 "[ . 1 . 2]" 1
169 1 46 VAL H 1 46 VAL QG 2.810 . 2.810 2.608 2.438 2.727 . 0 0 "[ . 1 . 2]" 1
170 1 46 VAL H 1 46 VAL MG2 3.710 . 3.710 3.606 3.531 3.716 0.006 4 0 "[ . 1 . 2]" 1
171 1 46 VAL H 1 47 GLN HG2 5.440 . 5.440 4.067 3.898 4.306 . 0 0 "[ . 1 . 2]" 1
172 1 46 VAL H 1 48 GLN H 4.640 . 4.640 3.983 3.865 4.096 . 0 0 "[ . 1 . 2]" 1
173 1 46 VAL H 1 49 ILE MD 4.600 . 4.600 4.569 4.346 4.678 0.078 16 0 "[ . 1 . 2]" 1
174 1 46 VAL HA 1 46 VAL MG1 3.220 . 3.220 3.208 3.188 3.228 0.008 4 0 "[ . 1 . 2]" 1
175 1 46 VAL HA 1 46 VAL MG2 3.220 . 3.220 2.228 2.199 2.275 . 0 0 "[ . 1 . 2]" 1
176 1 46 VAL HA 1 47 GLN HA 5.500 . 5.500 4.661 4.617 4.733 . 0 0 "[ . 1 . 2]" 1
177 1 46 VAL HA 1 48 GLN H 4.050 . 4.050 3.635 3.551 3.810 . 0 0 "[ . 1 . 2]" 1
178 1 46 VAL HA 1 49 ILE H 4.510 . 4.510 3.998 3.678 4.466 . 0 0 "[ . 1 . 2]" 1
179 1 46 VAL HA 1 49 ILE MD 3.020 . 3.020 2.187 2.001 2.259 . 0 0 "[ . 1 . 2]" 1
180 1 46 VAL HA 1 49 ILE HG12 4.420 . 4.420 3.429 3.241 3.728 . 0 0 "[ . 1 . 2]" 1
181 1 46 VAL HA 1 49 ILE HG13 3.620 . 3.620 2.342 2.143 2.738 . 0 0 "[ . 1 . 2]" 1
182 1 46 VAL HB 1 47 GLN H 3.990 . 3.990 3.819 3.723 4.000 0.010 8 0 "[ . 1 . 2]" 1
183 1 46 VAL HB 1 49 ILE MD 4.760 . 4.760 3.918 3.723 4.129 . 0 0 "[ . 1 . 2]" 1
184 1 46 VAL HB 1 93 PHE QD 5.500 . 5.500 5.422 5.047 5.544 0.044 4 0 "[ . 1 . 2]" 1
185 1 46 VAL QG 1 47 GLN H 3.270 . 3.270 2.520 2.447 2.559 . 0 0 "[ . 1 . 2]" 1
186 1 46 VAL QG 1 48 GLN H 4.980 . 4.980 4.109 4.020 4.206 . 0 0 "[ . 1 . 2]" 1
187 1 46 VAL QG 1 49 ILE MD 3.290 . 3.290 2.060 1.934 2.336 . 0 0 "[ . 1 . 2]" 1
188 1 46 VAL QG 1 71 SER H 4.560 . 4.560 3.259 2.978 3.511 . 0 0 "[ . 1 . 2]" 1
189 1 46 VAL QG 1 71 SER QB 4.060 . 4.060 1.838 1.725 2.007 . 0 0 "[ . 1 . 2]" 1
190 1 46 VAL QG 1 72 ASN H 4.030 . 4.030 3.797 3.377 4.111 0.081 9 0 "[ . 1 . 2]" 1
191 1 46 VAL QG 1 72 ASN HA 4.920 . 4.920 4.400 3.822 4.978 0.058 9 0 "[ . 1 . 2]" 1
192 1 46 VAL QG 1 93 PHE QE 5.100 . 5.100 4.272 3.972 4.682 . 0 0 "[ . 1 . 2]" 1
193 1 46 VAL QG 1 94 PHE QD 3.750 . 3.750 2.340 2.119 2.524 . 0 0 "[ . 1 . 2]" 1
194 1 46 VAL QG 1 94 PHE QE 3.330 . 3.330 3.092 2.746 3.325 . 0 0 "[ . 1 . 2]" 1
195 1 46 VAL MG1 1 47 GLN H 4.210 . 4.210 2.540 2.465 2.581 . 0 0 "[ . 1 . 2]" 1
196 1 46 VAL MG1 1 72 ASN H 4.640 . 4.640 4.384 3.869 4.648 0.008 7 0 "[ . 1 . 2]" 1
197 1 46 VAL MG1 1 94 PHE QD 4.980 . 4.980 4.844 4.550 5.016 0.036 18 0 "[ . 1 . 2]" 1
198 1 46 VAL MG2 1 47 GLN H 4.210 . 4.210 4.204 4.095 4.236 0.026 20 0 "[ . 1 . 2]" 1
199 1 46 VAL MG2 1 72 ASN H 4.640 . 4.640 4.168 3.723 4.592 . 0 0 "[ . 1 . 2]" 1
200 1 46 VAL MG2 1 94 PHE QD 4.980 . 4.980 2.345 2.122 2.532 . 0 0 "[ . 1 . 2]" 1
201 1 47 GLN H 1 47 GLN HB2 3.720 . 3.720 3.649 3.605 3.682 . 0 0 "[ . 1 . 2]" 1
202 1 47 GLN H 1 47 GLN HB3 2.850 . 2.850 2.699 2.566 2.859 0.009 14 0 "[ . 1 . 2]" 1
203 1 47 GLN H 1 47 GLN HG2 3.320 . 3.320 2.062 1.938 2.220 . 0 0 "[ . 1 . 2]" 1
204 1 47 GLN H 1 47 GLN HG3 4.780 . 4.780 3.180 2.861 3.356 . 0 0 "[ . 1 . 2]" 1
205 1 47 GLN H 1 48 GLN H 3.190 . 3.190 2.458 2.371 2.541 . 0 0 "[ . 1 . 2]" 1
206 1 47 GLN H 1 49 ILE H 4.480 . 4.480 4.222 4.051 4.455 . 0 0 "[ . 1 . 2]" 1
207 1 47 GLN H 1 49 ILE MD 4.920 . 4.920 4.743 4.502 4.809 . 0 0 "[ . 1 . 2]" 1
208 1 47 GLN H 1 49 ILE HG13 4.730 . 4.730 4.363 4.251 4.476 . 0 0 "[ . 1 . 2]" 1
209 1 47 GLN H 1 67 ILE HG12 5.360 . 5.360 4.650 4.411 4.936 . 0 0 "[ . 1 . 2]" 1
210 1 47 GLN H 1 67 ILE HG13 4.320 . 4.320 4.007 3.657 4.337 0.017 8 0 "[ . 1 . 2]" 1
211 1 47 GLN HA 1 47 GLN HG2 4.000 . 4.000 3.737 3.702 3.784 . 0 0 "[ . 1 . 2]" 1
212 1 47 GLN HA 1 47 GLN HG3 3.610 . 3.610 3.672 3.646 3.692 0.082 17 0 "[ . 1 . 2]" 1
213 1 47 GLN HA 1 49 ILE H 3.670 . 3.670 3.555 3.383 3.696 0.026 3 0 "[ . 1 . 2]" 1
214 1 47 GLN HA 1 52 VAL MG1 3.800 . 3.800 2.769 2.116 3.823 0.023 6 0 "[ . 1 . 2]" 1
215 1 47 GLN HB2 1 48 GLN H 4.410 . 4.410 4.291 4.203 4.379 . 0 0 "[ . 1 . 2]" 1
216 1 47 GLN HB3 1 67 ILE HG13 4.280 . 4.280 2.407 2.091 2.875 . 0 0 "[ . 1 . 2]" 1
217 1 47 GLN QE 1 47 GLN HG2 3.390 . 3.390 2.484 2.135 3.243 . 0 0 "[ . 1 . 2]" 1
218 1 47 GLN HG2 1 67 ILE HG13 4.310 . 4.310 3.470 2.934 3.885 . 0 0 "[ . 1 . 2]" 1
219 1 47 GLN HG3 1 49 ILE H 5.220 . 5.220 4.969 4.822 5.126 . 0 0 "[ . 1 . 2]" 1
220 1 47 GLN HG3 1 67 ILE HG13 4.860 . 4.860 4.606 4.330 4.900 0.040 1 0 "[ . 1 . 2]" 1
221 1 47 GLN HG3 1 67 ILE MG 4.820 . 4.820 4.345 4.059 4.659 . 0 0 "[ . 1 . 2]" 1
222 1 48 GLN H 1 48 GLN HB2 3.730 . 3.730 2.555 2.418 3.708 . 0 0 "[ . 1 . 2]" 1
223 1 48 GLN H 1 48 GLN QB 2.860 . 2.860 2.461 2.385 2.572 . 0 0 "[ . 1 . 2]" 1
224 1 48 GLN H 1 48 GLN HB3 3.730 . 3.730 3.611 2.624 3.719 . 0 0 "[ . 1 . 2]" 1
225 1 48 GLN H 1 48 GLN HG2 3.980 . 3.980 3.282 2.374 3.999 0.019 12 0 "[ . 1 . 2]" 1
226 1 48 GLN H 1 48 GLN QG 3.210 . 3.210 2.626 2.337 2.849 . 0 0 "[ . 1 . 2]" 1
227 1 48 GLN H 1 48 GLN HG3 3.980 . 3.980 3.247 2.567 4.000 0.020 13 0 "[ . 1 . 2]" 1
228 1 48 GLN H 1 49 ILE MD 4.490 . 4.490 4.464 4.211 4.524 0.034 8 0 "[ . 1 . 2]" 1
229 1 48 GLN H 1 49 ILE HG13 4.340 . 4.340 3.182 2.997 3.316 . 0 0 "[ . 1 . 2]" 1
230 1 48 GLN HA 1 48 GLN HG2 3.940 . 3.940 2.850 2.492 3.816 . 0 0 "[ . 1 . 2]" 1
231 1 48 GLN HA 1 48 GLN QG 3.400 . 3.400 2.707 2.372 3.353 . 0 0 "[ . 1 . 2]" 1
232 1 48 GLN HA 1 48 GLN HG3 3.940 . 3.940 3.405 2.925 3.870 . 0 0 "[ . 1 . 2]" 1
233 1 48 GLN HA 1 49 ILE H 3.560 . 3.560 3.106 2.954 3.239 . 0 0 "[ . 1 . 2]" 1
234 1 48 GLN HA 1 49 ILE HA 5.340 . 5.340 4.711 4.618 4.821 . 0 0 "[ . 1 . 2]" 1
235 1 48 GLN QB 1 49 ILE H 4.290 . 4.290 3.543 3.356 3.739 . 0 0 "[ . 1 . 2]" 1
236 1 48 GLN QB 1 49 ILE HG13 4.530 . 4.530 4.272 4.049 4.693 0.163 3 0 "[ . 1 . 2]" 1
237 1 48 GLN QG 1 49 ILE H 4.880 . 4.880 4.349 3.066 4.562 . 0 0 "[ . 1 . 2]" 1
238 1 49 ILE H 1 49 ILE HB 3.110 . 3.110 2.478 2.413 2.521 . 0 0 "[ . 1 . 2]" 1
239 1 49 ILE H 1 49 ILE MD 3.630 . 3.630 3.577 3.333 3.648 0.018 6 0 "[ . 1 . 2]" 1
240 1 49 ILE H 1 49 ILE HG12 3.780 . 3.780 3.509 3.258 3.642 . 0 0 "[ . 1 . 2]" 1
241 1 49 ILE H 1 49 ILE HG13 3.280 . 3.280 2.224 1.857 2.359 . 0 0 "[ . 1 . 2]" 1
242 1 49 ILE H 1 49 ILE MG 4.490 . 4.490 3.768 3.731 3.786 . 0 0 "[ . 1 . 2]" 1
243 1 49 ILE H 1 52 VAL H 5.180 . 5.180 4.999 4.739 5.175 . 0 0 "[ . 1 . 2]" 1
244 1 49 ILE H 1 52 VAL HB 4.080 . 4.080 3.899 3.362 4.132 0.052 20 0 "[ . 1 . 2]" 1
245 1 49 ILE H 1 52 VAL MG1 4.690 . 4.690 4.344 3.913 4.555 . 0 0 "[ . 1 . 2]" 1
246 1 49 ILE H 1 52 VAL MG2 4.110 . 4.110 3.070 2.850 3.309 . 0 0 "[ . 1 . 2]" 1
247 1 49 ILE HA 1 49 ILE HG12 3.940 . 3.940 2.571 2.532 2.593 . 0 0 "[ . 1 . 2]" 1
248 1 49 ILE HA 1 49 ILE HG13 4.220 . 4.220 2.990 2.928 3.041 . 0 0 "[ . 1 . 2]" 1
249 1 49 ILE HA 1 49 ILE MG 3.300 . 3.300 2.463 2.383 2.508 . 0 0 "[ . 1 . 2]" 1
250 1 49 ILE HA 1 50 PRO HD2 3.130 . 3.130 2.069 2.006 2.126 . 0 0 "[ . 1 . 2]" 1
251 1 49 ILE HA 1 50 PRO HD3 3.130 . 3.130 2.514 2.391 2.621 . 0 0 "[ . 1 . 2]" 1
252 1 49 ILE HA 1 93 PHE QD 5.420 . 5.420 4.673 4.147 5.058 . 0 0 "[ . 1 . 2]" 1
253 1 49 ILE HA 1 93 PHE QE 4.890 . 4.890 4.042 3.665 4.615 . 0 0 "[ . 1 . 2]" 1
254 1 49 ILE HB 1 49 ILE MD 3.610 . 3.610 2.389 2.360 2.423 . 0 0 "[ . 1 . 2]" 1
255 1 49 ILE HB 1 52 VAL HA 5.360 . 5.360 5.185 4.961 5.367 0.007 7 0 "[ . 1 . 2]" 1
256 1 49 ILE HB 1 52 VAL HB 4.100 . 4.100 3.735 3.282 3.966 . 0 0 "[ . 1 . 2]" 1
257 1 49 ILE HB 1 52 VAL MG2 3.860 . 3.860 1.969 1.823 2.083 . 0 0 "[ . 1 . 2]" 1
258 1 49 ILE HB 1 93 PHE QD 5.390 . 5.390 5.183 5.052 5.295 . 0 0 "[ . 1 . 2]" 1
259 1 49 ILE HB 1 93 PHE QE 5.500 . 5.500 5.555 5.506 5.591 0.091 15 0 "[ . 1 . 2]" 1
260 1 49 ILE MD 1 90 ILE MG 3.720 . 3.720 2.271 2.083 2.478 . 0 0 "[ . 1 . 2]" 1
261 1 49 ILE MD 1 93 PHE H 5.500 . 5.500 4.219 4.056 4.481 . 0 0 "[ . 1 . 2]" 1
262 1 49 ILE MD 1 93 PHE HB3 4.080 . 4.080 2.350 2.165 2.502 . 0 0 "[ . 1 . 2]" 1
263 1 49 ILE MD 1 93 PHE QD 3.770 . 3.770 2.486 2.087 2.701 . 0 0 "[ . 1 . 2]" 1
264 1 49 ILE MD 1 93 PHE QE 4.830 . 4.830 3.393 3.092 3.659 . 0 0 "[ . 1 . 2]" 1
265 1 49 ILE MD 1 94 PHE H 4.900 . 4.900 3.897 3.386 4.226 . 0 0 "[ . 1 . 2]" 1
266 1 49 ILE MD 1 94 PHE QD 4.420 . 4.420 2.698 2.215 3.034 . 0 0 "[ . 1 . 2]" 1
267 1 49 ILE MD 1 94 PHE QE 5.100 . 5.100 3.550 3.241 3.914 . 0 0 "[ . 1 . 2]" 1
268 1 49 ILE HG12 1 50 PRO HD3 4.820 . 4.820 4.833 4.811 4.852 0.032 7 0 "[ . 1 . 2]" 1
269 1 49 ILE HG13 1 93 PHE QD 4.860 . 4.860 4.261 3.854 4.562 . 0 0 "[ . 1 . 2]" 1
270 1 49 ILE MG 1 50 PRO HD2 3.500 . 3.500 2.177 1.990 2.448 . 0 0 "[ . 1 . 2]" 1
271 1 49 ILE MG 1 50 PRO HD3 3.700 . 3.700 3.583 3.439 3.710 0.010 16 0 "[ . 1 . 2]" 1
272 1 49 ILE MG 1 51 GLY H 5.220 . 5.220 4.607 4.480 4.797 . 0 0 "[ . 1 . 2]" 1
273 1 49 ILE MG 1 52 VAL H 4.040 . 4.040 3.484 3.218 3.710 . 0 0 "[ . 1 . 2]" 1
274 1 49 ILE MG 1 52 VAL HB 4.610 . 4.610 4.558 4.285 4.637 0.027 13 0 "[ . 1 . 2]" 1
275 1 49 ILE MG 1 89 GLN QG 5.340 . 5.340 3.712 3.286 4.311 . 0 0 "[ . 1 . 2]" 1
276 1 49 ILE MG 1 90 ILE H 5.010 . 5.010 4.206 3.980 4.566 . 0 0 "[ . 1 . 2]" 1
277 1 49 ILE MG 1 90 ILE HA 3.370 . 3.370 2.019 1.842 2.294 . 0 0 "[ . 1 . 2]" 1
278 1 49 ILE MG 1 90 ILE QG 4.100 . 4.100 2.298 2.071 2.725 . 0 0 "[ . 1 . 2]" 1
279 1 49 ILE MG 1 90 ILE MG 4.040 . 4.040 2.511 2.125 2.898 . 0 0 "[ . 1 . 2]" 1
280 1 49 ILE MG 1 93 PHE H 5.320 . 5.320 4.595 4.171 4.821 . 0 0 "[ . 1 . 2]" 1
281 1 49 ILE MG 1 93 PHE QE 4.660 . 4.660 3.608 3.355 4.109 . 0 0 "[ . 1 . 2]" 1
282 1 50 PRO HA 1 51 GLY H 2.570 . 2.570 2.147 2.115 2.186 . 0 0 "[ . 1 . 2]" 1
283 1 50 PRO HA 1 51 GLY QA 4.620 . 4.620 3.912 3.892 3.933 . 0 0 "[ . 1 . 2]" 1
284 1 50 PRO HA 1 52 VAL H 3.900 . 3.900 3.533 3.306 3.748 . 0 0 "[ . 1 . 2]" 1
285 1 50 PRO QB 1 52 VAL H 5.190 . 5.190 4.786 4.713 4.869 . 0 0 "[ . 1 . 2]" 1
286 1 50 PRO HB2 1 51 GLY H 4.020 . 4.020 3.549 3.462 3.613 . 0 0 "[ . 1 . 2]" 1
287 1 50 PRO HB3 1 51 GLY H 4.020 . 4.020 3.992 3.916 4.031 0.011 20 0 "[ . 1 . 2]" 1
288 1 50 PRO HD2 1 93 PHE QD 4.720 . 4.720 4.091 3.324 4.728 0.008 4 0 "[ . 1 . 2]" 1
289 1 50 PRO HG2 1 52 VAL H 5.500 . 5.500 5.529 5.505 5.552 0.052 20 0 "[ . 1 . 2]" 1
290 1 50 PRO HG2 1 93 PHE QD 5.500 . 5.500 4.996 4.109 5.542 0.042 9 0 "[ . 1 . 2]" 1
291 1 51 GLY H 1 51 GLY QA 2.580 . 2.580 2.327 2.301 2.355 . 0 0 "[ . 1 . 2]" 1
292 1 51 GLY H 1 52 VAL H 3.160 . 3.160 2.577 2.315 2.762 . 0 0 "[ . 1 . 2]" 1
293 1 51 GLY H 1 52 VAL MG2 4.420 . 4.420 4.387 4.215 4.468 0.048 15 0 "[ . 1 . 2]" 1
294 1 51 GLY QA 1 86 VAL HB 5.340 . 5.340 4.610 3.886 5.153 . 0 0 "[ . 1 . 2]" 1
295 1 51 GLY QA 1 86 VAL QG 4.170 . 4.170 2.252 1.927 2.523 . 0 0 "[ . 1 . 2]" 1
296 1 52 VAL H 1 52 VAL HB 2.820 . 2.820 2.554 2.479 2.641 . 0 0 "[ . 1 . 2]" 1
297 1 52 VAL H 1 52 VAL MG1 3.800 . 3.800 3.798 3.770 3.814 0.014 19 0 "[ . 1 . 2]" 1
298 1 52 VAL H 1 52 VAL MG2 2.820 . 2.820 2.149 2.015 2.305 . 0 0 "[ . 1 . 2]" 1
299 1 52 VAL H 1 86 VAL QG 5.040 . 5.040 4.317 3.921 4.788 . 0 0 "[ . 1 . 2]" 1
300 1 52 VAL H 1 90 ILE MD 3.420 . 3.420 3.195 2.999 3.422 0.002 13 0 "[ . 1 . 2]" 1
301 1 52 VAL H 1 90 ILE QG 4.220 . 4.220 3.529 3.148 3.832 . 0 0 "[ . 1 . 2]" 1
302 1 52 VAL HA 1 52 VAL MG1 2.900 . 2.900 2.452 2.404 2.520 . 0 0 "[ . 1 . 2]" 1
303 1 52 VAL HA 1 52 VAL MG2 3.140 . 3.140 2.402 2.322 2.459 . 0 0 "[ . 1 . 2]" 1
304 1 52 VAL HA 1 53 GLY QA 4.480 . 4.480 4.246 4.199 4.292 . 0 0 "[ . 1 . 2]" 1
305 1 52 VAL HB 1 53 GLY H 3.050 . 3.050 2.284 1.985 2.724 . 0 0 "[ . 1 . 2]" 1
306 1 52 VAL MG1 1 53 GLY H 3.730 . 3.730 3.127 2.842 3.441 . 0 0 "[ . 1 . 2]" 1
307 1 52 VAL MG2 1 53 GLY H 4.020 . 4.020 3.703 3.476 3.950 . 0 0 "[ . 1 . 2]" 1
308 1 52 VAL MG2 1 78 LEU MD2 4.430 . 4.430 3.971 3.573 4.352 . 0 0 "[ . 1 . 2]" 1
309 1 52 VAL MG2 1 90 ILE H 5.500 . 5.500 5.442 5.189 5.561 0.061 18 0 "[ . 1 . 2]" 1
310 1 52 VAL MG2 1 90 ILE MD 2.950 . 2.950 2.097 1.937 2.320 . 0 0 "[ . 1 . 2]" 1
311 1 52 VAL MG2 1 90 ILE QG 3.400 . 3.400 2.536 2.294 2.752 . 0 0 "[ . 1 . 2]" 1
312 1 52 VAL MG2 1 90 ILE MG 4.040 . 4.040 2.282 1.995 2.540 . 0 0 "[ . 1 . 2]" 1
313 1 53 GLY H 1 54 LYS H 4.010 . 4.010 3.344 2.708 4.043 0.033 18 0 "[ . 1 . 2]" 1
314 1 53 GLY QA 1 54 LYS H 3.060 . 3.060 2.137 2.031 2.333 . 0 0 "[ . 1 . 2]" 1
315 1 53 GLY QA 1 55 VAL H 3.900 . 3.900 3.201 2.984 3.554 . 0 0 "[ . 1 . 2]" 1
316 1 53 GLY QA 1 56 LYS QB 4.480 . 4.480 3.111 2.068 4.156 . 0 0 "[ . 1 . 2]" 1
317 1 53 GLY QA 1 56 LYS QG 4.570 . 4.570 3.261 1.852 4.614 0.044 6 0 "[ . 1 . 2]" 1
318 1 53 GLY HA2 1 54 LYS H 3.560 . 3.560 2.166 2.079 2.368 . 0 0 "[ . 1 . 2]" 1
319 1 53 GLY HA2 1 55 VAL H 4.530 . 4.530 3.467 3.192 4.052 . 0 0 "[ . 1 . 2]" 1
320 1 53 GLY HA3 1 54 LYS H 3.560 . 3.560 3.302 2.851 3.510 . 0 0 "[ . 1 . 2]" 1
321 1 53 GLY HA3 1 55 VAL H 4.530 . 4.530 3.801 3.514 4.065 . 0 0 "[ . 1 . 2]" 1
322 1 54 LYS H 1 54 LYS QB 2.920 . 2.920 2.644 2.512 2.818 . 0 0 "[ . 1 . 2]" 1
323 1 54 LYS H 1 54 LYS QD 4.260 . 4.260 3.869 3.551 4.167 . 0 0 "[ . 1 . 2]" 1
324 1 54 LYS H 1 54 LYS HG2 3.930 . 3.930 2.084 1.886 2.199 . 0 0 "[ . 1 . 2]" 1
325 1 54 LYS H 1 54 LYS QG 3.310 . 3.310 2.058 1.867 2.179 . 0 0 "[ . 1 . 2]" 1
326 1 54 LYS H 1 54 LYS HG3 3.930 . 3.930 3.212 2.968 3.554 . 0 0 "[ . 1 . 2]" 1
327 1 54 LYS H 1 55 VAL H 3.660 . 3.660 2.453 2.253 2.745 . 0 0 "[ . 1 . 2]" 1
328 1 54 LYS H 1 56 LYS H 4.090 . 4.090 3.908 3.471 4.144 0.054 5 0 "[ . 1 . 2]" 1
329 1 54 LYS HA 1 54 LYS HG2 4.170 . 4.170 3.756 3.707 3.827 . 0 0 "[ . 1 . 2]" 1
330 1 54 LYS HA 1 54 LYS QG 3.640 . 3.640 3.359 3.342 3.380 . 0 0 "[ . 1 . 2]" 1
331 1 54 LYS HA 1 54 LYS HG3 4.170 . 4.170 3.788 3.685 3.839 . 0 0 "[ . 1 . 2]" 1
332 1 54 LYS HA 1 55 VAL MG2 4.670 . 4.670 4.714 4.688 4.739 0.069 19 0 "[ . 1 . 2]" 1
333 1 54 LYS QB 1 55 VAL H 3.610 . 3.610 3.597 3.423 3.677 0.067 12 0 "[ . 1 . 2]" 1
334 1 54 LYS QD 1 54 LYS QG 2.430 . 2.430 2.053 1.983 2.090 . 0 0 "[ . 1 . 2]" 1
335 1 54 LYS QD 1 55 VAL H 4.770 . 4.770 4.554 4.166 4.821 0.051 8 0 "[ . 1 . 2]" 1
336 1 54 LYS QG 1 55 VAL H 4.060 . 4.060 2.553 2.036 2.832 . 0 0 "[ . 1 . 2]" 1
337 1 54 LYS QG 1 55 VAL HA 4.170 . 4.170 3.614 3.308 3.936 . 0 0 "[ . 1 . 2]" 1
338 1 54 LYS QG 1 56 LYS H 4.730 . 4.730 4.475 4.068 4.752 0.022 2 0 "[ . 1 . 2]" 1
339 1 55 VAL H 1 55 VAL HB 2.920 . 2.920 2.542 2.421 2.621 . 0 0 "[ . 1 . 2]" 1
340 1 55 VAL H 1 55 VAL MG1 4.140 . 4.140 3.777 3.728 3.823 . 0 0 "[ . 1 . 2]" 1
341 1 55 VAL H 1 55 VAL MG2 2.970 . 2.970 2.151 1.910 2.245 . 0 0 "[ . 1 . 2]" 1
342 1 55 VAL H 1 56 LYS H 3.100 . 3.100 2.271 2.138 2.399 . 0 0 "[ . 1 . 2]" 1
343 1 55 VAL H 1 56 LYS HA 4.990 . 4.990 4.970 4.876 5.038 0.048 5 0 "[ . 1 . 2]" 1
344 1 55 VAL H 1 56 LYS QB 4.720 . 4.720 4.336 3.825 4.744 0.024 19 0 "[ . 1 . 2]" 1
345 1 55 VAL H 1 57 ALA H 4.350 . 4.350 3.637 3.408 3.915 . 0 0 "[ . 1 . 2]" 1
346 1 55 VAL HA 1 55 VAL MG1 3.010 . 3.010 2.387 2.332 2.448 . 0 0 "[ . 1 . 2]" 1
347 1 55 VAL HA 1 55 VAL MG2 3.000 . 3.000 2.422 2.319 2.478 . 0 0 "[ . 1 . 2]" 1
348 1 55 VAL HA 1 57 ALA MB 5.070 . 5.070 4.306 4.039 4.611 . 0 0 "[ . 1 . 2]" 1
349 1 55 VAL HA 1 58 PRO QD 4.290 . 4.290 3.605 3.283 4.160 . 0 0 "[ . 1 . 2]" 1
350 1 55 VAL HB 1 56 LYS H 3.250 . 3.250 2.840 2.654 3.101 . 0 0 "[ . 1 . 2]" 1
351 1 55 VAL MG1 1 56 LYS H 4.030 . 4.030 3.706 3.479 3.918 . 0 0 "[ . 1 . 2]" 1
352 1 55 VAL MG1 1 57 ALA H 4.610 . 4.610 4.650 4.588 4.691 0.081 8 0 "[ . 1 . 2]" 1
353 1 56 LYS H 1 56 LYS HB2 3.680 . 3.680 2.894 2.250 3.693 0.013 3 0 "[ . 1 . 2]" 1
354 1 56 LYS H 1 56 LYS QB 2.920 . 2.920 2.469 2.191 2.820 . 0 0 "[ . 1 . 2]" 1
355 1 56 LYS H 1 56 LYS HB3 3.680 . 3.680 3.012 2.391 3.686 0.006 20 0 "[ . 1 . 2]" 1
356 1 56 LYS H 1 56 LYS QE 4.940 . 4.940 4.438 3.238 4.943 0.003 8 0 "[ . 1 . 2]" 1
357 1 56 LYS H 1 56 LYS QG 4.080 . 4.080 2.826 1.895 4.022 . 0 0 "[ . 1 . 2]" 1
358 1 56 LYS H 1 57 ALA H 3.070 . 3.070 2.360 2.182 2.554 . 0 0 "[ . 1 . 2]" 1
359 1 56 LYS H 1 57 ALA HA 5.080 . 5.080 4.668 4.428 4.866 . 0 0 "[ . 1 . 2]" 1
360 1 56 LYS H 1 58 PRO QD 4.600 . 4.600 4.045 3.692 4.453 . 0 0 "[ . 1 . 2]" 1
361 1 56 LYS HA 1 56 LYS QE 4.460 . 4.460 4.287 3.587 4.488 0.028 6 0 "[ . 1 . 2]" 1
362 1 56 LYS HA 1 56 LYS QG 3.700 . 3.700 2.739 2.318 3.383 . 0 0 "[ . 1 . 2]" 1
363 1 56 LYS HA 1 58 PRO QD 3.940 . 3.940 3.384 3.096 3.737 . 0 0 "[ . 1 . 2]" 1
364 1 56 LYS HA 1 59 LEU H 4.360 . 4.360 3.569 3.420 3.801 . 0 0 "[ . 1 . 2]" 1
365 1 56 LYS HA 1 59 LEU QB 3.970 . 3.970 2.903 2.506 3.242 . 0 0 "[ . 1 . 2]" 1
366 1 56 LYS HA 1 59 LEU QD 3.610 . 3.610 3.490 2.994 3.722 0.112 12 0 "[ . 1 . 2]" 1
367 1 56 LYS QB 1 56 LYS QE 3.560 . 3.560 2.134 1.876 3.481 . 0 0 "[ . 1 . 2]" 1
368 1 56 LYS HB2 1 57 ALA H 4.620 . 4.620 3.977 3.284 4.353 . 0 0 "[ . 1 . 2]" 1
369 1 56 LYS HB3 1 57 ALA H 4.620 . 4.620 4.007 3.180 4.476 . 0 0 "[ . 1 . 2]" 1
370 1 56 LYS QE 1 59 LEU QD 4.440 . 4.440 3.466 2.030 4.445 0.005 10 0 "[ . 1 . 2]" 1
371 1 56 LYS QE 1 81 VAL MG1 4.380 . 4.380 4.229 3.450 4.461 0.081 16 0 "[ . 1 . 2]" 1
372 1 56 LYS QG 1 60 LEU H 5.180 . 5.180 4.505 3.217 5.301 0.121 20 0 "[ . 1 . 2]" 1
373 1 56 LYS QG 1 81 VAL MG2 5.480 . 5.480 5.382 4.582 5.657 0.177 5 0 "[ . 1 . 2]" 1
374 1 57 ALA H 1 57 ALA MB 2.750 . 2.750 2.273 2.253 2.317 . 0 0 "[ . 1 . 2]" 1
375 1 57 ALA H 1 58 PRO QD 2.890 . 2.890 2.428 2.191 2.760 . 0 0 "[ . 1 . 2]" 1
376 1 57 ALA H 1 59 LEU H 4.630 . 4.630 4.299 4.102 4.542 . 0 0 "[ . 1 . 2]" 1
377 1 57 ALA H 1 60 LEU QD 3.970 . 3.970 3.824 3.503 4.015 0.045 15 0 "[ . 1 . 2]" 1
378 1 57 ALA HA 1 60 LEU H 4.170 . 4.170 3.357 3.137 3.640 . 0 0 "[ . 1 . 2]" 1
379 1 57 ALA HA 1 60 LEU QD 3.200 . 3.200 2.361 2.039 3.219 0.019 8 0 "[ . 1 . 2]" 1
380 1 57 ALA HA 1 61 LEU H 5.000 . 5.000 4.022 3.794 4.359 . 0 0 "[ . 1 . 2]" 1
381 1 57 ALA MB 1 58 PRO QD 3.070 . 3.070 2.118 1.923 2.289 . 0 0 "[ . 1 . 2]" 1
382 1 58 PRO HA 1 61 LEU H 3.600 . 3.600 3.388 3.224 3.510 . 0 0 "[ . 1 . 2]" 1
383 1 58 PRO HA 1 61 LEU QB 3.480 . 3.480 2.497 2.206 2.746 . 0 0 "[ . 1 . 2]" 1
384 1 58 PRO HA 1 62 GLN H 4.840 . 4.840 4.792 4.395 4.889 0.049 15 0 "[ . 1 . 2]" 1
385 1 58 PRO HB2 1 59 LEU H 3.380 . 3.380 3.038 2.416 3.388 0.008 3 0 "[ . 1 . 2]" 1
386 1 58 PRO HB3 1 59 LEU H 4.230 . 4.230 4.085 3.800 4.259 0.029 19 0 "[ . 1 . 2]" 1
387 1 58 PRO HB3 1 61 LEU H 5.500 . 5.500 5.498 5.343 5.548 0.048 17 0 "[ . 1 . 2]" 1
388 1 58 PRO HB3 1 61 LEU QB 4.520 . 4.520 4.407 4.144 4.550 0.030 17 0 "[ . 1 . 2]" 1
389 1 58 PRO QD 1 59 LEU H 3.640 . 3.640 2.813 2.279 3.109 . 0 0 "[ . 1 . 2]" 1
390 1 58 PRO QD 1 59 LEU QB 4.380 . 4.380 4.041 3.610 4.305 . 0 0 "[ . 1 . 2]" 1
391 1 58 PRO QD 1 60 LEU H 4.690 . 4.690 4.321 4.045 4.541 . 0 0 "[ . 1 . 2]" 1
392 1 58 PRO QG 1 59 LEU H 3.580 . 3.580 2.866 2.333 3.615 0.035 4 0 "[ . 1 . 2]" 1
393 1 58 PRO HG2 1 59 LEU H 4.270 . 4.270 2.954 2.351 3.864 . 0 0 "[ . 1 . 2]" 1
394 1 58 PRO HG3 1 59 LEU H 4.270 . 4.270 4.169 3.914 4.354 0.084 12 0 "[ . 1 . 2]" 1
395 1 59 LEU H 1 59 LEU HB2 3.540 . 3.540 2.627 2.557 2.715 . 0 0 "[ . 1 . 2]" 1
396 1 59 LEU H 1 59 LEU QB 3.000 . 3.000 2.186 2.145 2.224 . 0 0 "[ . 1 . 2]" 1
397 1 59 LEU H 1 59 LEU HB3 3.540 . 3.540 2.339 2.263 2.400 . 0 0 "[ . 1 . 2]" 1
398 1 59 LEU H 1 59 LEU MD1 4.380 . 4.380 4.188 4.158 4.233 . 0 0 "[ . 1 . 2]" 1
399 1 59 LEU H 1 59 LEU MD2 4.380 . 4.380 4.177 4.102 4.231 . 0 0 "[ . 1 . 2]" 1
400 1 59 LEU H 1 59 LEU HG 4.290 . 4.290 4.331 4.296 4.355 0.065 18 0 "[ . 1 . 2]" 1
401 1 59 LEU H 1 60 LEU H 2.890 . 2.890 2.508 2.279 2.745 . 0 0 "[ . 1 . 2]" 1
402 1 59 LEU H 1 61 LEU H 4.340 . 4.340 3.827 3.521 4.064 . 0 0 "[ . 1 . 2]" 1
403 1 59 LEU H 1 62 GLN QG 4.970 . 4.970 4.588 4.108 5.050 0.080 3 0 "[ . 1 . 2]" 1
404 1 59 LEU HA 1 59 LEU MD1 4.110 . 4.110 2.215 2.173 2.276 . 0 0 "[ . 1 . 2]" 1
405 1 59 LEU HA 1 59 LEU QD 3.130 . 3.130 2.204 2.162 2.262 . 0 0 "[ . 1 . 2]" 1
406 1 59 LEU HA 1 59 LEU MD2 4.110 . 4.110 3.925 3.904 3.952 . 0 0 "[ . 1 . 2]" 1
407 1 59 LEU HA 1 59 LEU HG 4.160 . 4.160 3.193 3.101 3.275 . 0 0 "[ . 1 . 2]" 1
408 1 59 LEU HA 1 62 GLN H 4.160 . 4.160 3.647 3.362 4.104 . 0 0 "[ . 1 . 2]" 1
409 1 59 LEU HA 1 62 GLN QB 3.990 . 3.990 3.356 2.923 4.003 0.013 3 0 "[ . 1 . 2]" 1
410 1 59 LEU QB 1 59 LEU QD 2.750 . 2.750 1.933 1.907 1.949 . 0 0 "[ . 1 . 2]" 1
411 1 59 LEU QB 1 60 LEU H 4.460 . 4.460 2.494 2.347 2.918 . 0 0 "[ . 1 . 2]" 1
412 1 59 LEU QD 1 60 LEU H 4.060 . 4.060 3.767 3.579 4.057 . 0 0 "[ . 1 . 2]" 1
413 1 59 LEU QD 1 60 LEU HA 4.120 . 4.120 4.142 4.014 4.183 0.063 3 0 "[ . 1 . 2]" 1
414 1 59 LEU MD1 1 60 LEU H 5.090 . 5.090 4.395 4.272 4.506 . 0 0 "[ . 1 . 2]" 1
415 1 59 LEU MD2 1 60 LEU H 5.090 . 5.090 4.102 3.842 4.605 . 0 0 "[ . 1 . 2]" 1
416 1 59 LEU HG 1 60 LEU HA 4.810 . 4.810 3.582 3.378 3.744 . 0 0 "[ . 1 . 2]" 1
417 1 60 LEU H 1 60 LEU HB2 2.750 . 2.750 2.456 2.166 2.586 . 0 0 "[ . 1 . 2]" 1
418 1 60 LEU H 1 60 LEU HB3 3.650 . 3.650 3.570 3.466 3.626 . 0 0 "[ . 1 . 2]" 1
419 1 60 LEU H 1 60 LEU MD1 4.060 . 4.060 3.417 2.279 3.762 . 0 0 "[ . 1 . 2]" 1
420 1 60 LEU H 1 60 LEU QD 3.500 . 3.500 2.923 2.260 3.140 . 0 0 "[ . 1 . 2]" 1
421 1 60 LEU H 1 60 LEU MD2 4.060 . 4.060 3.350 2.995 3.901 . 0 0 "[ . 1 . 2]" 1
422 1 60 LEU H 1 60 LEU HG 4.550 . 4.550 2.545 2.153 4.133 . 0 0 "[ . 1 . 2]" 1
423 1 60 LEU H 1 61 LEU H 2.810 . 2.810 2.548 2.070 2.782 . 0 0 "[ . 1 . 2]" 1
424 1 60 LEU H 1 62 GLN H 4.140 . 4.140 3.959 3.730 4.083 . 0 0 "[ . 1 . 2]" 1
425 1 60 LEU H 1 62 GLN QG 5.120 . 5.120 4.807 4.069 5.132 0.012 19 0 "[ . 1 . 2]" 1
426 1 60 LEU HA 1 60 LEU QD 3.100 . 3.100 2.123 2.024 2.542 . 0 0 "[ . 1 . 2]" 1
427 1 60 LEU HA 1 60 LEU HG 4.080 . 4.080 3.062 2.607 3.301 . 0 0 "[ . 1 . 2]" 1
428 1 60 LEU HA 1 62 GLN H 4.020 . 4.020 3.682 3.436 4.044 0.024 14 0 "[ . 1 . 2]" 1
429 1 60 LEU HA 1 63 LYS H 4.210 . 4.210 3.433 3.092 3.679 . 0 0 "[ . 1 . 2]" 1
430 1 60 LEU HA 1 63 LYS HB2 4.530 . 4.530 3.020 2.548 3.747 . 0 0 "[ . 1 . 2]" 1
431 1 60 LEU HA 1 64 PHE QD 3.730 . 3.730 3.091 2.610 3.600 . 0 0 "[ . 1 . 2]" 1
432 1 60 LEU HA 1 81 VAL MG1 4.210 . 4.210 3.612 2.643 4.156 . 0 0 "[ . 1 . 2]" 1
433 1 60 LEU HB2 1 61 LEU H 3.110 . 3.110 2.753 2.537 3.120 0.010 8 0 "[ . 1 . 2]" 1
434 1 60 LEU HB2 1 64 PHE H 5.500 . 5.500 5.287 5.010 5.510 0.010 6 0 "[ . 1 . 2]" 1
435 1 60 LEU HB2 1 64 PHE QD 5.110 . 5.110 4.020 3.693 4.719 . 0 0 "[ . 1 . 2]" 1
436 1 60 LEU HB3 1 61 LEU H 3.850 . 3.850 3.720 3.560 3.855 0.005 15 0 "[ . 1 . 2]" 1
437 1 60 LEU HB3 1 64 PHE H 4.410 . 4.410 4.337 4.010 4.444 0.034 5 0 "[ . 1 . 2]" 1
438 1 60 LEU HB3 1 64 PHE QD 4.080 . 4.080 2.510 2.140 3.162 . 0 0 "[ . 1 . 2]" 1
439 1 60 LEU QD 1 64 PHE QD 3.600 . 3.600 3.248 2.847 3.646 0.046 11 0 "[ . 1 . 2]" 1
440 1 60 LEU QD 1 64 PHE QE 4.510 . 4.510 2.632 1.976 3.361 . 0 0 "[ . 1 . 2]" 1
441 1 60 LEU HG 1 81 VAL HB 4.810 . 4.810 4.558 2.065 4.892 0.082 7 0 "[ . 1 . 2]" 1
442 1 61 LEU H 1 61 LEU HA 2.910 . 2.910 2.832 2.815 2.860 . 0 0 "[ . 1 . 2]" 1
443 1 61 LEU H 1 61 LEU QB 2.990 . 2.990 2.304 2.185 2.484 . 0 0 "[ . 1 . 2]" 1
444 1 61 LEU H 1 62 GLN H 3.090 . 3.090 2.623 2.462 2.725 . 0 0 "[ . 1 . 2]" 1
445 1 61 LEU H 1 62 GLN QB 5.080 . 5.080 4.722 4.541 4.935 . 0 0 "[ . 1 . 2]" 1
446 1 61 LEU H 1 64 PHE H 4.900 . 4.900 4.691 4.538 4.835 . 0 0 "[ . 1 . 2]" 1
447 1 61 LEU HA 1 61 LEU QD 2.950 . 2.950 2.078 1.934 2.357 . 0 0 "[ . 1 . 2]" 1
448 1 61 LEU HA 1 64 PHE H 3.570 . 3.570 3.269 2.806 3.601 0.031 17 0 "[ . 1 . 2]" 1
449 1 61 LEU HA 1 64 PHE QD 4.560 . 4.560 4.275 3.826 4.598 0.038 14 0 "[ . 1 . 2]" 1
450 1 61 LEU HA 1 66 SER HA 4.880 . 4.880 4.596 4.117 4.917 0.037 13 0 "[ . 1 . 2]" 1
451 1 61 LEU HA 1 70 LEU QD 4.010 . 4.010 3.579 2.602 4.063 0.053 14 0 "[ . 1 . 2]" 1
452 1 61 LEU QB 1 61 LEU MD1 3.250 . 3.250 2.227 2.089 2.377 . 0 0 "[ . 1 . 2]" 1
453 1 61 LEU QB 1 61 LEU QD 2.720 . 2.720 1.960 1.923 2.082 . 0 0 "[ . 1 . 2]" 1
454 1 61 LEU QB 1 61 LEU MD2 3.250 . 3.250 2.211 2.068 2.368 . 0 0 "[ . 1 . 2]" 1
455 1 61 LEU QB 1 62 GLN H 3.330 . 3.330 3.175 2.741 3.354 0.024 9 0 "[ . 1 . 2]" 1
456 1 61 LEU QD 1 62 GLN H 5.440 . 5.440 4.286 4.063 4.409 . 0 0 "[ . 1 . 2]" 1
457 1 62 GLN H 1 62 GLN QB 2.650 . 2.650 2.447 2.330 2.651 0.001 3 0 "[ . 1 . 2]" 1
458 1 62 GLN H 1 62 GLN HG2 3.740 . 3.740 2.882 2.172 3.768 0.028 19 0 "[ . 1 . 2]" 1
459 1 62 GLN H 1 62 GLN QG 3.200 . 3.200 2.366 2.110 2.556 . 0 0 "[ . 1 . 2]" 1
460 1 62 GLN H 1 62 GLN HG3 3.740 . 3.740 3.186 2.291 3.823 0.083 10 0 "[ . 1 . 2]" 1
461 1 62 GLN H 1 63 LYS H 3.040 . 3.040 2.285 2.158 2.400 . 0 0 "[ . 1 . 2]" 1
462 1 62 GLN H 1 63 LYS HB2 5.030 . 5.030 4.332 4.168 4.546 . 0 0 "[ . 1 . 2]" 1
463 1 62 GLN H 1 64 PHE H 4.400 . 4.400 3.939 3.801 4.120 . 0 0 "[ . 1 . 2]" 1
464 1 62 GLN HA 1 62 GLN HG2 4.160 . 4.160 2.944 2.517 3.816 . 0 0 "[ . 1 . 2]" 1
465 1 62 GLN HA 1 62 GLN QG 3.600 . 3.600 2.790 2.399 3.337 . 0 0 "[ . 1 . 2]" 1
466 1 62 GLN HA 1 62 GLN HG3 4.160 . 4.160 3.489 2.964 3.869 . 0 0 "[ . 1 . 2]" 1
467 1 62 GLN QB 1 63 LYS H 3.190 . 3.190 3.052 2.661 3.354 0.164 3 0 "[ . 1 . 2]" 1
468 1 62 GLN QB 1 63 LYS QG 4.190 . 4.190 3.248 2.882 3.883 . 0 0 "[ . 1 . 2]" 1
469 1 62 GLN QG 1 63 LYS H 5.030 . 5.030 4.057 2.031 4.288 . 0 0 "[ . 1 . 2]" 1
470 1 63 LYS H 1 63 LYS HB2 3.320 . 3.320 2.400 2.166 2.516 . 0 0 "[ . 1 . 2]" 1
471 1 63 LYS H 1 63 LYS HB3 3.700 . 3.700 3.614 3.464 3.699 . 0 0 "[ . 1 . 2]" 1
472 1 63 LYS H 1 63 LYS QG 3.430 . 3.430 2.845 2.508 3.314 . 0 0 "[ . 1 . 2]" 1
473 1 63 LYS H 1 64 PHE H 2.690 . 2.690 2.169 2.018 2.470 . 0 0 "[ . 1 . 2]" 1
474 1 63 LYS H 1 64 PHE HA 5.030 . 5.030 4.810 4.655 5.049 0.019 17 0 "[ . 1 . 2]" 1
475 1 63 LYS H 1 64 PHE QD 3.830 . 3.830 3.841 3.603 3.910 0.080 14 0 "[ . 1 . 2]" 1
476 1 63 LYS H 1 70 LEU QD 5.440 . 5.440 5.044 4.378 5.475 0.035 17 0 "[ . 1 . 2]" 1
477 1 63 LYS HA 1 63 LYS QD 3.400 . 3.400 2.182 1.981 2.975 . 0 0 "[ . 1 . 2]" 1
478 1 63 LYS HA 1 63 LYS QG 3.700 . 3.700 2.874 2.622 3.095 . 0 0 "[ . 1 . 2]" 1
479 1 63 LYS HB2 1 63 LYS QE 4.870 . 4.870 4.082 3.312 4.500 . 0 0 "[ . 1 . 2]" 1
480 1 63 LYS HB2 1 63 LYS QG 2.590 . 2.590 2.158 2.142 2.170 . 0 0 "[ . 1 . 2]" 1
481 1 63 LYS HB2 1 64 PHE H 3.420 . 3.420 2.398 2.145 2.686 . 0 0 "[ . 1 . 2]" 1
482 1 63 LYS HB2 1 64 PHE QD 3.450 . 3.450 2.724 2.374 3.219 . 0 0 "[ . 1 . 2]" 1
483 1 63 LYS HB2 1 64 PHE QE 4.200 . 4.200 3.306 2.967 3.512 . 0 0 "[ . 1 . 2]" 1
484 1 63 LYS HB3 1 64 PHE H 3.290 . 3.290 3.320 3.238 3.382 0.092 11 0 "[ . 1 . 2]" 1
485 1 63 LYS HB3 1 64 PHE HB2 5.400 . 5.400 5.129 4.784 5.403 0.003 11 0 "[ . 1 . 2]" 1
486 1 63 LYS HB3 1 64 PHE QD 4.070 . 4.070 3.699 3.207 4.078 0.008 12 0 "[ . 1 . 2]" 1
487 1 63 LYS QG 1 64 PHE H 4.320 . 4.320 3.997 3.687 4.271 . 0 0 "[ . 1 . 2]" 1
488 1 64 PHE H 1 64 PHE HB2 3.040 . 3.040 2.548 2.389 2.792 . 0 0 "[ . 1 . 2]" 1
489 1 64 PHE H 1 64 PHE HB3 3.760 . 3.760 3.641 3.556 3.715 . 0 0 "[ . 1 . 2]" 1
490 1 64 PHE H 1 64 PHE QD 3.190 . 3.190 2.517 2.289 2.744 . 0 0 "[ . 1 . 2]" 1
491 1 64 PHE H 1 64 PHE QE 5.030 . 5.030 4.400 4.284 4.556 . 0 0 "[ . 1 . 2]" 1
492 1 64 PHE H 1 65 PRO HD2 4.980 . 4.980 4.954 4.821 5.064 0.084 15 0 "[ . 1 . 2]" 1
493 1 64 PHE H 1 65 PRO HD3 5.090 . 5.090 4.860 4.550 5.091 0.001 18 0 "[ . 1 . 2]" 1
494 1 64 PHE HA 1 64 PHE QD 3.410 . 3.410 2.843 2.576 3.021 . 0 0 "[ . 1 . 2]" 1
495 1 64 PHE HA 1 64 PHE QE 5.040 . 5.040 4.653 4.533 4.746 . 0 0 "[ . 1 . 2]" 1
496 1 64 PHE HA 1 65 PRO HD2 3.180 . 3.180 2.498 2.143 2.769 . 0 0 "[ . 1 . 2]" 1
497 1 64 PHE HA 1 65 PRO HD3 3.270 . 3.270 2.197 1.949 2.421 . 0 0 "[ . 1 . 2]" 1
498 1 64 PHE HA 1 66 SER H 4.570 . 4.570 4.358 4.122 4.557 . 0 0 "[ . 1 . 2]" 1
499 1 64 PHE HA 1 69 GLN HB3 4.940 . 4.940 4.381 3.647 4.822 . 0 0 "[ . 1 . 2]" 1
500 1 64 PHE HA 1 69 GLN HE22 4.690 . 4.690 4.072 3.503 4.680 . 0 0 "[ . 1 . 2]" 1
501 1 64 PHE HB2 1 65 PRO HD2 4.000 . 4.000 3.873 3.697 4.042 0.042 9 0 "[ . 1 . 2]" 1
502 1 64 PHE HB2 1 66 SER HA 5.170 . 5.170 5.118 4.756 5.251 0.081 9 0 "[ . 1 . 2]" 1
503 1 64 PHE HB2 1 69 GLN HE22 5.500 . 5.500 5.262 4.819 5.501 0.001 11 0 "[ . 1 . 2]" 1
504 1 64 PHE HB2 1 70 LEU H 4.700 . 4.700 4.151 3.435 4.634 . 0 0 "[ . 1 . 2]" 1
505 1 64 PHE HB2 1 70 LEU HA 4.230 . 4.230 3.190 2.570 3.585 . 0 0 "[ . 1 . 2]" 1
506 1 64 PHE HB2 1 70 LEU QD 4.300 . 4.300 2.705 1.838 3.182 . 0 0 "[ . 1 . 2]" 1
507 1 64 PHE HB2 1 70 LEU HG 4.470 . 4.470 3.318 2.340 4.610 0.140 9 0 "[ . 1 . 2]" 1
508 1 64 PHE HB3 1 65 PRO QG 4.780 . 4.780 4.210 3.893 4.683 . 0 0 "[ . 1 . 2]" 1
509 1 64 PHE HB3 1 66 SER H 3.870 . 3.870 3.328 2.948 3.558 . 0 0 "[ . 1 . 2]" 1
510 1 64 PHE HB3 1 69 GLN HE21 4.820 . 4.820 2.731 1.993 4.291 . 0 0 "[ . 1 . 2]" 1
511 1 64 PHE HB3 1 69 GLN HE22 4.600 . 4.600 3.717 3.180 3.988 . 0 0 "[ . 1 . 2]" 1
512 1 64 PHE HB3 1 70 LEU H 3.650 . 3.650 3.318 3.098 3.544 . 0 0 "[ . 1 . 2]" 1
513 1 64 PHE HB3 1 70 LEU HA 3.780 . 3.780 2.593 2.231 2.872 . 0 0 "[ . 1 . 2]" 1
514 1 64 PHE HB3 1 70 LEU QD 4.690 . 4.690 3.621 2.936 3.973 . 0 0 "[ . 1 . 2]" 1
515 1 64 PHE QD 1 65 PRO HD3 4.950 . 4.950 4.003 3.527 4.290 . 0 0 "[ . 1 . 2]" 1
516 1 64 PHE QD 1 66 SER H 5.210 . 5.210 5.123 4.823 5.279 0.069 1 0 "[ . 1 . 2]" 1
517 1 64 PHE QD 1 69 GLN HB3 3.980 . 3.980 3.734 3.467 3.992 0.012 5 0 "[ . 1 . 2]" 1
518 1 64 PHE QD 1 69 GLN HE22 2.530 . 2.530 1.884 1.699 2.191 . 0 0 "[ . 1 . 2]" 1
519 1 64 PHE QD 1 70 LEU H 4.640 . 4.640 4.462 4.130 4.664 0.024 5 0 "[ . 1 . 2]" 1
520 1 64 PHE QD 1 70 LEU HA 4.010 . 4.010 2.753 2.361 3.089 . 0 0 "[ . 1 . 2]" 1
521 1 64 PHE QD 1 70 LEU HB2 4.390 . 4.390 3.884 3.674 4.242 . 0 0 "[ . 1 . 2]" 1
522 1 64 PHE QD 1 70 LEU HB3 5.220 . 5.220 4.883 4.775 5.103 . 0 0 "[ . 1 . 2]" 1
523 1 64 PHE QD 1 70 LEU MD1 3.920 . 3.920 2.881 1.877 3.523 . 0 0 "[ . 1 . 2]" 1
524 1 64 PHE QD 1 70 LEU QD 3.260 . 3.260 2.635 1.789 3.134 . 0 0 "[ . 1 . 2]" 1
525 1 64 PHE QD 1 70 LEU MD2 3.920 . 3.920 3.586 1.800 4.017 0.097 1 0 "[ . 1 . 2]" 1
526 1 64 PHE QD 1 70 LEU HG 4.430 . 4.430 3.135 2.215 4.612 0.182 11 0 "[ . 1 . 2]" 1
527 1 64 PHE QD 1 73 ALA MB 3.830 . 3.830 2.946 2.603 3.260 . 0 0 "[ . 1 . 2]" 1
528 1 64 PHE QD 1 78 LEU MD2 5.500 . 5.500 4.784 4.379 5.135 . 0 0 "[ . 1 . 2]" 1
529 1 64 PHE QE 1 70 LEU QD 4.710 . 4.710 3.206 2.898 3.484 . 0 0 "[ . 1 . 2]" 1
530 1 64 PHE QE 1 73 ALA MB 4.760 . 4.760 2.229 2.031 2.508 . 0 0 "[ . 1 . 2]" 1
531 1 65 PRO HD2 1 66 SER H 3.690 . 3.690 2.772 2.466 3.098 . 0 0 "[ . 1 . 2]" 1
532 1 65 PRO HD2 1 69 GLN H 4.610 . 4.610 4.647 4.565 4.680 0.070 3 0 "[ . 1 . 2]" 1
533 1 65 PRO HD2 1 69 GLN HB3 4.520 . 4.520 2.299 2.136 2.567 . 0 0 "[ . 1 . 2]" 1
534 1 65 PRO HD2 1 69 GLN HE21 4.430 . 4.430 2.407 1.861 4.336 . 0 0 "[ . 1 . 2]" 1
535 1 65 PRO HD2 1 69 GLN HE22 3.880 . 3.880 3.653 3.150 3.897 0.017 18 0 "[ . 1 . 2]" 1
536 1 65 PRO HD2 1 69 GLN QG 4.890 . 4.890 3.202 2.626 3.853 . 0 0 "[ . 1 . 2]" 1
537 1 65 PRO HD3 1 66 SER H 4.210 . 4.210 3.997 3.860 4.202 . 0 0 "[ . 1 . 2]" 1
538 1 65 PRO HD3 1 69 GLN HE22 4.680 . 4.680 4.328 3.897 4.713 0.033 1 0 "[ . 1 . 2]" 1
539 1 65 PRO QG 1 66 SER H 3.850 . 3.850 2.814 2.175 3.851 0.001 9 0 "[ . 1 . 2]" 1
540 1 65 PRO QG 1 69 GLN HE22 4.970 . 4.970 4.778 4.362 5.004 0.034 10 0 "[ . 1 . 2]" 1
541 1 66 SER H 1 66 SER HA 2.890 . 2.890 2.861 2.839 2.883 . 0 0 "[ . 1 . 2]" 1
542 1 66 SER H 1 66 SER HB2 4.040 . 4.040 3.256 2.860 3.867 . 0 0 "[ . 1 . 2]" 1
543 1 66 SER H 1 66 SER QB 3.530 . 3.530 2.939 2.733 3.175 . 0 0 "[ . 1 . 2]" 1
544 1 66 SER H 1 66 SER HB3 4.040 . 4.040 3.652 2.912 3.995 . 0 0 "[ . 1 . 2]" 1
545 1 66 SER H 1 67 ILE H 4.500 . 4.500 4.296 4.220 4.343 . 0 0 "[ . 1 . 2]" 1
546 1 66 SER H 1 69 GLN HB2 4.250 . 4.250 3.518 3.044 4.151 . 0 0 "[ . 1 . 2]" 1
547 1 66 SER H 1 69 GLN HB3 3.630 . 3.630 3.114 2.837 3.552 . 0 0 "[ . 1 . 2]" 1
548 1 66 SER H 1 70 LEU H 3.910 . 3.910 3.723 3.374 3.924 0.014 18 0 "[ . 1 . 2]" 1
549 1 66 SER HA 1 67 ILE H 3.040 . 3.040 2.470 2.388 2.645 . 0 0 "[ . 1 . 2]" 1
550 1 66 SER HA 1 67 ILE HA 4.760 . 4.760 4.263 4.149 4.401 . 0 0 "[ . 1 . 2]" 1
551 1 66 SER QB 1 67 ILE H 3.140 . 3.140 2.456 2.164 3.157 0.017 14 0 "[ . 1 . 2]" 1
552 1 66 SER QB 1 67 ILE MD 4.210 . 4.210 2.538 2.250 3.333 . 0 0 "[ . 1 . 2]" 1
553 1 66 SER QB 1 67 ILE HG12 4.480 . 4.480 4.479 4.365 4.569 0.089 14 0 "[ . 1 . 2]" 1
554 1 66 SER QB 1 68 GLN H 3.740 . 3.740 2.698 2.350 3.023 . 0 0 "[ . 1 . 2]" 1
555 1 66 SER QB 1 68 GLN QB 4.450 . 4.450 3.198 2.425 3.827 . 0 0 "[ . 1 . 2]" 1
556 1 66 SER QB 1 69 GLN H 4.130 . 4.130 3.341 2.735 3.700 . 0 0 "[ . 1 . 2]" 1
557 1 66 SER QB 1 70 LEU H 5.010 . 5.010 4.597 4.237 4.847 . 0 0 "[ . 1 . 2]" 1
558 1 66 SER HB2 1 67 ILE H 3.990 . 3.990 3.214 2.339 3.831 . 0 0 "[ . 1 . 2]" 1
559 1 66 SER HB2 1 68 GLN H 4.410 . 4.410 3.070 2.367 4.104 . 0 0 "[ . 1 . 2]" 1
560 1 66 SER HB3 1 67 ILE H 3.990 . 3.990 2.915 2.197 3.882 . 0 0 "[ . 1 . 2]" 1
561 1 66 SER HB3 1 68 GLN H 4.410 . 4.410 3.374 2.646 4.201 . 0 0 "[ . 1 . 2]" 1
562 1 67 ILE H 1 67 ILE HB 3.630 . 3.630 3.647 3.618 3.660 0.030 9 0 "[ . 1 . 2]" 1
563 1 67 ILE H 1 67 ILE MD 3.040 . 3.040 1.787 1.674 1.873 . 0 0 "[ . 1 . 2]" 1
564 1 67 ILE H 1 67 ILE HG12 3.620 . 3.620 3.387 3.097 3.530 . 0 0 "[ . 1 . 2]" 1
565 1 67 ILE H 1 67 ILE HG13 3.860 . 3.860 3.864 3.795 3.889 0.029 13 0 "[ . 1 . 2]" 1
566 1 67 ILE H 1 67 ILE MG 3.590 . 3.590 2.203 2.097 2.297 . 0 0 "[ . 1 . 2]" 1
567 1 67 ILE H 1 68 GLN H 3.800 . 3.800 2.716 2.439 2.974 . 0 0 "[ . 1 . 2]" 1
568 1 67 ILE H 1 70 LEU H 4.800 . 4.800 4.655 4.545 4.760 . 0 0 "[ . 1 . 2]" 1
569 1 67 ILE H 1 70 LEU HB3 4.870 . 4.870 4.729 4.495 4.884 0.014 16 0 "[ . 1 . 2]" 1
570 1 67 ILE H 1 70 LEU QD 4.780 . 4.780 4.148 3.849 4.419 . 0 0 "[ . 1 . 2]" 1
571 1 67 ILE HA 1 67 ILE MD 3.660 . 3.660 3.614 3.572 3.664 0.004 13 0 "[ . 1 . 2]" 1
572 1 67 ILE HA 1 67 ILE HG12 4.010 . 4.010 3.748 3.632 3.789 . 0 0 "[ . 1 . 2]" 1
573 1 67 ILE HA 1 67 ILE MG 3.010 . 3.010 2.357 2.304 2.418 . 0 0 "[ . 1 . 2]" 1
574 1 67 ILE HA 1 70 LEU H 3.480 . 3.480 3.161 2.945 3.294 . 0 0 "[ . 1 . 2]" 1
575 1 67 ILE HA 1 70 LEU HA 4.790 . 4.790 4.528 4.341 4.655 . 0 0 "[ . 1 . 2]" 1
576 1 67 ILE HA 1 70 LEU HB2 3.630 . 3.630 2.231 1.980 2.435 . 0 0 "[ . 1 . 2]" 1
577 1 67 ILE HA 1 70 LEU QD 4.470 . 4.470 2.333 2.093 2.983 . 0 0 "[ . 1 . 2]" 1
578 1 67 ILE HA 1 70 LEU HG 4.810 . 4.810 3.992 2.785 4.317 . 0 0 "[ . 1 . 2]" 1
579 1 67 ILE HA 1 71 SER H 3.750 . 3.750 3.678 3.517 3.764 0.014 19 0 "[ . 1 . 2]" 1
580 1 67 ILE HB 1 68 GLN H 4.740 . 4.740 3.984 3.873 4.100 . 0 0 "[ . 1 . 2]" 1
581 1 67 ILE HB 1 71 SER H 4.230 . 4.230 4.269 4.242 4.306 0.076 19 0 "[ . 1 . 2]" 1
582 1 67 ILE MD 1 68 GLN H 3.810 . 3.810 2.371 2.160 2.505 . 0 0 "[ . 1 . 2]" 1
583 1 67 ILE MD 1 68 GLN QB 3.850 . 3.850 3.382 2.975 3.669 . 0 0 "[ . 1 . 2]" 1
584 1 67 ILE MD 1 69 GLN H 4.650 . 4.650 4.665 4.530 4.728 0.078 11 0 "[ . 1 . 2]" 1
585 1 67 ILE HG12 1 67 ILE MG 3.710 . 3.710 3.222 3.195 3.234 . 0 0 "[ . 1 . 2]" 1
586 1 67 ILE HG12 1 68 GLN HA 4.930 . 4.930 3.355 3.209 3.567 . 0 0 "[ . 1 . 2]" 1
587 1 67 ILE HG13 1 67 ILE MG 3.460 . 3.460 2.412 2.374 2.562 . 0 0 "[ . 1 . 2]" 1
588 1 68 GLN H 1 68 GLN HB2 3.300 . 3.300 2.507 2.412 2.623 . 0 0 "[ . 1 . 2]" 1
589 1 68 GLN H 1 68 GLN HB3 3.300 . 3.300 2.550 2.359 2.809 . 0 0 "[ . 1 . 2]" 1
590 1 68 GLN H 1 68 GLN QG 4.390 . 4.390 3.998 3.916 4.101 . 0 0 "[ . 1 . 2]" 1
591 1 68 GLN H 1 69 GLN H 3.810 . 3.810 2.678 2.569 2.835 . 0 0 "[ . 1 . 2]" 1
592 1 68 GLN H 1 70 LEU H 4.780 . 4.780 3.699 3.546 3.860 . 0 0 "[ . 1 . 2]" 1
593 1 68 GLN HA 1 68 GLN HG2 4.120 . 4.120 3.252 2.453 3.803 . 0 0 "[ . 1 . 2]" 1
594 1 68 GLN HA 1 68 GLN QG 3.650 . 3.650 2.615 2.389 3.074 . 0 0 "[ . 1 . 2]" 1
595 1 68 GLN HA 1 68 GLN HG3 4.120 . 4.120 2.849 2.506 3.684 . 0 0 "[ . 1 . 2]" 1
596 1 68 GLN HA 1 71 SER H 4.770 . 4.770 4.154 3.624 4.396 . 0 0 "[ . 1 . 2]" 1
597 1 68 GLN HA 1 71 SER QB 5.090 . 5.090 4.230 3.499 4.592 . 0 0 "[ . 1 . 2]" 1
598 1 68 GLN HA 1 72 ASN H 4.770 . 4.770 4.469 3.986 4.780 0.010 12 0 "[ . 1 . 2]" 1
599 1 68 GLN QB 1 69 GLN H 3.820 . 3.820 2.520 2.244 2.744 . 0 0 "[ . 1 . 2]" 1
600 1 69 GLN H 1 69 GLN HB2 2.840 . 2.840 2.323 2.191 2.469 . 0 0 "[ . 1 . 2]" 1
601 1 69 GLN H 1 69 GLN HB3 2.900 . 2.900 2.781 2.627 2.910 0.010 11 0 "[ . 1 . 2]" 1
602 1 69 GLN H 1 69 GLN HG2 4.720 . 4.720 4.331 4.249 4.464 . 0 0 "[ . 1 . 2]" 1
603 1 69 GLN H 1 69 GLN QG 4.110 . 4.110 3.948 3.854 4.045 . 0 0 "[ . 1 . 2]" 1
604 1 69 GLN H 1 69 GLN HG3 4.720 . 4.720 4.552 4.395 4.637 . 0 0 "[ . 1 . 2]" 1
605 1 69 GLN H 1 70 LEU H 3.060 . 3.060 2.303 2.229 2.430 . 0 0 "[ . 1 . 2]" 1
606 1 69 GLN H 1 70 LEU HB3 5.100 . 5.100 4.520 4.190 4.751 . 0 0 "[ . 1 . 2]" 1
607 1 69 GLN HA 1 69 GLN HE21 4.830 . 4.830 3.876 2.920 4.205 . 0 0 "[ . 1 . 2]" 1
608 1 69 GLN HA 1 69 GLN HE22 5.160 . 5.160 4.728 4.492 5.066 . 0 0 "[ . 1 . 2]" 1
609 1 69 GLN HA 1 69 GLN HG2 3.710 . 3.710 2.407 2.315 2.489 . 0 0 "[ . 1 . 2]" 1
610 1 69 GLN HA 1 69 GLN QG 3.160 . 3.160 2.375 2.285 2.452 . 0 0 "[ . 1 . 2]" 1
611 1 69 GLN HA 1 69 GLN HG3 3.710 . 3.710 3.635 3.433 3.698 . 0 0 "[ . 1 . 2]" 1
612 1 69 GLN HA 1 72 ASN H 4.010 . 4.010 3.558 3.251 3.898 . 0 0 "[ . 1 . 2]" 1
613 1 69 GLN HA 1 72 ASN QB 4.470 . 4.470 2.512 2.104 2.909 . 0 0 "[ . 1 . 2]" 1
614 1 69 GLN HA 1 73 ALA H 4.910 . 4.910 4.417 4.208 4.631 . 0 0 "[ . 1 . 2]" 1
615 1 69 GLN HB2 1 70 LEU H 3.930 . 3.930 3.619 3.407 3.886 . 0 0 "[ . 1 . 2]" 1
616 1 69 GLN HB3 1 69 GLN HE21 3.210 . 3.210 1.990 1.804 3.223 0.013 10 0 "[ . 1 . 2]" 1
617 1 69 GLN HB3 1 69 GLN HE22 4.240 . 4.240 3.479 3.377 3.820 . 0 0 "[ . 1 . 2]" 1
618 1 69 GLN HB3 1 70 LEU H 3.410 . 3.410 2.737 2.632 2.894 . 0 0 "[ . 1 . 2]" 1
619 1 69 GLN HB3 1 71 SER H 5.500 . 5.500 5.492 5.373 5.549 0.049 6 0 "[ . 1 . 2]" 1
620 1 69 GLN HB3 1 73 ALA H 5.500 . 5.500 5.566 5.531 5.603 0.103 16 0 "[ . 1 . 2]" 1
621 1 69 GLN HE21 1 70 LEU H 4.280 . 4.280 3.786 3.509 4.270 . 0 0 "[ . 1 . 2]" 1
622 1 69 GLN HE21 1 70 LEU HA 4.880 . 4.880 3.409 2.974 3.835 . 0 0 "[ . 1 . 2]" 1
623 1 69 GLN HE21 1 73 ALA MB 4.370 . 4.370 3.422 1.924 3.966 . 0 0 "[ . 1 . 2]" 1
624 1 69 GLN HE22 1 70 LEU QD 5.440 . 5.440 5.432 5.203 5.512 0.072 10 0 "[ . 1 . 2]" 1
625 1 69 GLN HE22 1 73 ALA MB 4.000 . 4.000 2.635 2.262 3.127 . 0 0 "[ . 1 . 2]" 1
626 1 69 GLN HE22 1 74 SER H 5.500 . 5.500 5.271 4.558 5.544 0.044 3 0 "[ . 1 . 2]" 1
627 1 69 GLN QG 1 70 LEU H 5.040 . 5.040 4.538 4.411 4.615 . 0 0 "[ . 1 . 2]" 1
628 1 69 GLN QG 1 73 ALA MB 4.880 . 4.880 4.589 3.743 4.905 0.025 11 0 "[ . 1 . 2]" 1
629 1 70 LEU H 1 70 LEU HB2 3.010 . 3.010 2.290 2.179 2.479 . 0 0 "[ . 1 . 2]" 1
630 1 70 LEU H 1 70 LEU HB3 3.000 . 3.000 2.550 2.313 2.673 . 0 0 "[ . 1 . 2]" 1
631 1 70 LEU H 1 70 LEU MD1 4.570 . 4.570 4.097 4.034 4.321 . 0 0 "[ . 1 . 2]" 1
632 1 70 LEU H 1 70 LEU QD 3.980 . 3.980 3.693 3.597 3.758 . 0 0 "[ . 1 . 2]" 1
633 1 70 LEU H 1 70 LEU MD2 4.570 . 4.570 4.212 3.849 4.317 . 0 0 "[ . 1 . 2]" 1
634 1 70 LEU H 1 70 LEU HG 4.570 . 4.570 4.365 4.281 4.472 . 0 0 "[ . 1 . 2]" 1
635 1 70 LEU H 1 72 ASN H 4.260 . 4.260 3.876 3.785 3.997 . 0 0 "[ . 1 . 2]" 1
636 1 70 LEU HA 1 70 LEU MD1 3.860 . 3.860 3.306 2.187 3.870 0.010 3 0 "[ . 1 . 2]" 1
637 1 70 LEU HA 1 70 LEU QD 3.130 . 3.130 2.604 2.176 2.885 . 0 0 "[ . 1 . 2]" 1
638 1 70 LEU HA 1 70 LEU MD2 3.860 . 3.860 3.167 2.584 3.910 0.050 11 0 "[ . 1 . 2]" 1
639 1 70 LEU HA 1 70 LEU HG 4.260 . 4.260 2.904 2.637 3.909 . 0 0 "[ . 1 . 2]" 1
640 1 70 LEU HA 1 73 ALA H 3.940 . 3.940 3.975 3.861 4.086 0.146 6 0 "[ . 1 . 2]" 1
641 1 70 LEU HA 1 73 ALA MB 3.490 . 3.490 3.096 2.936 3.353 . 0 0 "[ . 1 . 2]" 1
642 1 70 LEU HA 1 78 LEU MD2 4.560 . 4.560 4.120 3.936 4.310 . 0 0 "[ . 1 . 2]" 1
643 1 70 LEU HB2 1 71 SER H 3.550 . 3.550 3.509 3.348 3.605 0.055 7 0 "[ . 1 . 2]" 1
644 1 70 LEU HB3 1 71 SER H 3.360 . 3.360 2.037 1.867 2.118 . 0 0 "[ . 1 . 2]" 1
645 1 70 LEU HB3 1 73 ALA H 5.370 . 5.370 5.358 5.264 5.389 0.019 11 0 "[ . 1 . 2]" 1
646 1 70 LEU QD 1 72 ASN H 4.950 . 4.950 4.621 4.398 4.991 0.041 7 0 "[ . 1 . 2]" 1
647 1 70 LEU QD 1 78 LEU MD2 3.550 . 3.550 2.851 2.424 3.483 . 0 0 "[ . 1 . 2]" 1
648 1 70 LEU MD1 1 71 SER H 4.710 . 4.710 3.938 3.089 4.134 . 0 0 "[ . 1 . 2]" 1
649 1 70 LEU MD2 1 71 SER H 4.710 . 4.710 3.244 2.895 4.440 . 0 0 "[ . 1 . 2]" 1
650 1 71 SER H 1 71 SER HB2 3.690 . 3.690 2.558 2.417 3.508 . 0 0 "[ . 1 . 2]" 1
651 1 71 SER H 1 71 SER QB 3.120 . 3.120 2.423 2.375 2.546 . 0 0 "[ . 1 . 2]" 1
652 1 71 SER H 1 71 SER HB3 3.690 . 3.690 3.438 2.600 3.558 . 0 0 "[ . 1 . 2]" 1
653 1 71 SER H 1 72 ASN H 3.040 . 3.040 2.548 2.469 2.656 . 0 0 "[ . 1 . 2]" 1
654 1 71 SER H 1 73 ALA H 4.310 . 4.310 4.050 3.951 4.134 . 0 0 "[ . 1 . 2]" 1
655 1 71 SER H 1 78 LEU MD2 5.160 . 5.160 4.378 4.173 4.678 . 0 0 "[ . 1 . 2]" 1
656 1 71 SER HA 1 73 ALA H 4.440 . 4.440 3.654 3.525 3.720 . 0 0 "[ . 1 . 2]" 1
657 1 71 SER HA 1 94 PHE QE 5.500 . 5.500 4.168 3.809 4.444 . 0 0 "[ . 1 . 2]" 1
658 1 71 SER QB 1 94 PHE QD 4.700 . 4.700 3.675 3.161 4.210 . 0 0 "[ . 1 . 2]" 1
659 1 71 SER HB2 1 72 ASN H 3.950 . 3.950 3.057 2.913 3.672 . 0 0 "[ . 1 . 2]" 1
660 1 71 SER HB2 1 94 PHE QE 4.570 . 4.570 3.549 2.047 4.165 . 0 0 "[ . 1 . 2]" 1
661 1 71 SER HB3 1 72 ASN H 3.950 . 3.950 3.996 3.963 4.021 0.071 17 0 "[ . 1 . 2]" 1
662 1 71 SER HB3 1 94 PHE QE 4.570 . 4.570 2.963 2.357 3.921 . 0 0 "[ . 1 . 2]" 1
663 1 72 ASN H 1 72 ASN HB2 3.560 . 3.560 2.557 2.342 2.759 . 0 0 "[ . 1 . 2]" 1
664 1 72 ASN H 1 72 ASN QB 2.940 . 2.940 2.333 2.298 2.403 . 0 0 "[ . 1 . 2]" 1
665 1 72 ASN H 1 72 ASN HB3 3.560 . 3.560 2.907 2.505 3.636 0.076 17 0 "[ . 1 . 2]" 1
666 1 72 ASN H 1 72 ASN QD 4.470 . 4.470 4.080 2.700 4.523 0.053 1 0 "[ . 1 . 2]" 1
667 1 72 ASN H 1 73 ALA H 2.560 . 2.560 2.454 2.329 2.573 0.013 7 0 "[ . 1 . 2]" 1
668 1 72 ASN H 1 73 ALA MB 4.310 . 4.310 4.050 3.930 4.163 . 0 0 "[ . 1 . 2]" 1
669 1 72 ASN H 1 78 LEU MD2 4.950 . 4.950 4.467 4.238 4.827 . 0 0 "[ . 1 . 2]" 1
670 1 72 ASN H 1 94 PHE QE 4.810 . 4.810 4.530 4.339 4.821 0.011 17 0 "[ . 1 . 2]" 1
671 1 72 ASN HA 1 73 ALA H 3.510 . 3.510 3.247 3.165 3.315 . 0 0 "[ . 1 . 2]" 1
672 1 72 ASN HA 1 73 ALA MB 4.900 . 4.900 4.779 4.681 4.863 . 0 0 "[ . 1 . 2]" 1
673 1 72 ASN QB 1 72 ASN QD 2.980 . 2.980 2.316 2.115 2.720 . 0 0 "[ . 1 . 2]" 1
674 1 72 ASN QB 1 73 ALA H 3.960 . 3.960 3.406 3.306 3.545 . 0 0 "[ . 1 . 2]" 1
675 1 72 ASN QB 1 73 ALA MB 5.070 . 5.070 4.510 4.392 4.694 . 0 0 "[ . 1 . 2]" 1
676 1 72 ASN HB2 1 73 ALA H 4.580 . 4.580 4.105 3.568 4.408 . 0 0 "[ . 1 . 2]" 1
677 1 72 ASN HB3 1 73 ALA H 4.580 . 4.580 3.739 3.448 4.193 . 0 0 "[ . 1 . 2]" 1
678 1 73 ALA H 1 73 ALA MB 2.640 . 2.640 2.209 2.182 2.241 . 0 0 "[ . 1 . 2]" 1
679 1 73 ALA H 1 74 SER H 4.640 . 4.640 4.576 4.535 4.613 . 0 0 "[ . 1 . 2]" 1
680 1 73 ALA H 1 78 LEU MD2 4.490 . 4.490 3.271 3.127 3.600 . 0 0 "[ . 1 . 2]" 1
681 1 73 ALA H 1 78 LEU HG 4.490 . 4.490 4.235 4.094 4.505 0.015 10 0 "[ . 1 . 2]" 1
682 1 73 ALA H 1 90 ILE MG 5.500 . 5.500 5.290 4.919 5.513 0.013 19 0 "[ . 1 . 2]" 1
683 1 73 ALA HA 1 74 SER H 2.420 . 2.420 2.281 2.226 2.331 . 0 0 "[ . 1 . 2]" 1
684 1 73 ALA HA 1 74 SER HA 4.840 . 4.840 4.231 4.169 4.295 . 0 0 "[ . 1 . 2]" 1
685 1 73 ALA HA 1 77 GLU QG 4.490 . 4.490 4.329 3.703 4.610 0.120 7 0 "[ . 1 . 2]" 1
686 1 73 ALA MB 1 74 SER H 2.990 . 2.990 2.465 2.382 2.525 . 0 0 "[ . 1 . 2]" 1
687 1 73 ALA MB 1 77 GLU HB2 4.250 . 4.250 2.084 1.923 2.542 . 0 0 "[ . 1 . 2]" 1
688 1 73 ALA MB 1 78 LEU H 3.870 . 3.870 3.622 3.454 3.823 . 0 0 "[ . 1 . 2]" 1
689 1 74 SER H 1 74 SER HB2 3.630 . 3.630 2.649 2.303 3.589 . 0 0 "[ . 1 . 2]" 1
690 1 74 SER H 1 74 SER QB 2.910 . 2.910 2.489 2.199 2.764 . 0 0 "[ . 1 . 2]" 1
691 1 74 SER H 1 74 SER HB3 3.630 . 3.630 3.298 2.632 3.527 . 0 0 "[ . 1 . 2]" 1
692 1 74 SER H 1 75 ILE H 4.770 . 4.770 4.591 4.520 4.642 . 0 0 "[ . 1 . 2]" 1
693 1 74 SER H 1 76 GLY H 5.220 . 5.220 5.208 5.013 5.256 0.036 14 0 "[ . 1 . 2]" 1
694 1 74 SER H 1 77 GLU H 4.230 . 4.230 4.070 3.867 4.255 0.025 9 0 "[ . 1 . 2]" 1
695 1 74 SER H 1 77 GLU HB2 4.110 . 4.110 3.295 2.863 3.729 . 0 0 "[ . 1 . 2]" 1
696 1 74 SER H 1 77 GLU QG 3.170 . 3.170 2.876 2.572 3.180 0.010 9 0 "[ . 1 . 2]" 1
697 1 74 SER H 1 78 LEU H 5.030 . 5.030 4.807 4.486 5.033 0.003 15 0 "[ . 1 . 2]" 1
698 1 74 SER H 1 78 LEU HG 4.900 . 4.900 4.497 4.216 4.735 . 0 0 "[ . 1 . 2]" 1
699 1 74 SER HA 1 75 ILE H 2.630 . 2.630 2.373 2.272 2.464 . 0 0 "[ . 1 . 2]" 1
700 1 74 SER HA 1 75 ILE HA 4.500 . 4.500 4.320 4.256 4.376 . 0 0 "[ . 1 . 2]" 1
701 1 74 SER HA 1 77 GLU H 4.940 . 4.940 4.677 4.550 4.811 . 0 0 "[ . 1 . 2]" 1
702 1 74 SER HA 1 78 LEU H 5.290 . 5.290 5.225 4.968 5.346 0.056 9 0 "[ . 1 . 2]" 1
703 1 74 SER HA 1 78 LEU MD1 5.500 . 5.500 4.278 3.992 4.503 . 0 0 "[ . 1 . 2]" 1
704 1 74 SER HA 1 78 LEU HG 5.500 . 5.500 4.780 4.446 5.041 . 0 0 "[ . 1 . 2]" 1
705 1 74 SER QB 1 75 ILE H 2.940 . 2.940 2.670 2.405 2.998 0.058 3 0 "[ . 1 . 2]" 1
706 1 74 SER QB 1 76 GLY H 3.990 . 3.990 2.848 2.660 3.010 . 0 0 "[ . 1 . 2]" 1
707 1 74 SER QB 1 76 GLY HA3 3.890 . 3.890 3.915 3.842 3.964 0.074 17 0 "[ . 1 . 2]" 1
708 1 74 SER QB 1 77 GLU H 4.820 . 4.820 2.974 2.662 3.632 . 0 0 "[ . 1 . 2]" 1
709 1 74 SER HB2 1 76 GLY H 4.680 . 4.680 3.350 2.682 4.581 . 0 0 "[ . 1 . 2]" 1
710 1 74 SER HB3 1 76 GLY H 4.680 . 4.680 3.309 2.860 4.411 . 0 0 "[ . 1 . 2]" 1
711 1 75 ILE H 1 75 ILE HB 2.750 . 2.750 2.570 2.527 2.624 . 0 0 "[ . 1 . 2]" 1
712 1 75 ILE H 1 75 ILE MD 3.890 . 3.890 3.113 3.024 3.286 . 0 0 "[ . 1 . 2]" 1
713 1 75 ILE H 1 75 ILE HG12 3.100 . 3.100 2.086 2.009 2.171 . 0 0 "[ . 1 . 2]" 1
714 1 75 ILE H 1 75 ILE HG13 3.620 . 3.620 3.592 3.541 3.626 0.006 16 0 "[ . 1 . 2]" 1
715 1 75 ILE H 1 75 ILE MG 3.780 . 3.780 3.787 3.772 3.804 0.024 18 0 "[ . 1 . 2]" 1
716 1 75 ILE H 1 76 GLY H 3.190 . 3.190 2.765 2.609 2.908 . 0 0 "[ . 1 . 2]" 1
717 1 75 ILE H 1 77 GLU H 4.720 . 4.720 4.266 4.075 4.445 . 0 0 "[ . 1 . 2]" 1
718 1 75 ILE H 1 78 LEU H 4.990 . 4.990 4.840 4.696 4.957 . 0 0 "[ . 1 . 2]" 1
719 1 75 ILE H 1 78 LEU MD1 4.690 . 4.690 4.253 4.103 4.468 . 0 0 "[ . 1 . 2]" 1
720 1 75 ILE H 1 87 ALA MB 4.790 . 4.790 4.648 4.450 4.791 0.001 14 0 "[ . 1 . 2]" 1
721 1 75 ILE HA 1 75 ILE MD 3.560 . 3.560 2.070 2.026 2.132 . 0 0 "[ . 1 . 2]" 1
722 1 75 ILE HA 1 75 ILE HG12 4.020 . 4.020 3.106 3.015 3.186 . 0 0 "[ . 1 . 2]" 1
723 1 75 ILE HA 1 75 ILE HG13 4.240 . 4.240 3.758 3.724 3.798 . 0 0 "[ . 1 . 2]" 1
724 1 75 ILE HA 1 75 ILE MG 3.090 . 3.090 2.474 2.414 2.524 . 0 0 "[ . 1 . 2]" 1
725 1 75 ILE HA 1 77 GLU H 4.890 . 4.890 4.148 3.973 4.329 . 0 0 "[ . 1 . 2]" 1
726 1 75 ILE HA 1 78 LEU H 3.670 . 3.670 3.435 3.262 3.539 . 0 0 "[ . 1 . 2]" 1
727 1 75 ILE HA 1 78 LEU HB2 3.660 . 3.660 2.564 2.431 2.708 . 0 0 "[ . 1 . 2]" 1
728 1 75 ILE HA 1 78 LEU MD1 3.140 . 3.140 2.744 2.605 2.952 . 0 0 "[ . 1 . 2]" 1
729 1 75 ILE HA 1 78 LEU MD2 4.900 . 4.900 4.907 4.808 4.956 0.056 10 0 "[ . 1 . 2]" 1
730 1 75 ILE HA 1 79 GLU H 3.910 . 3.910 3.925 3.812 3.975 0.065 12 0 "[ . 1 . 2]" 1
731 1 75 ILE HA 1 87 ALA HA 4.970 . 4.970 4.563 4.370 4.791 . 0 0 "[ . 1 . 2]" 1
732 1 75 ILE HB 1 76 GLY H 3.110 . 3.110 2.720 2.586 2.855 . 0 0 "[ . 1 . 2]" 1
733 1 75 ILE HB 1 88 GLN QG 5.340 . 5.340 5.082 4.564 5.381 0.041 11 0 "[ . 1 . 2]" 1
734 1 75 ILE MD 1 78 LEU MD1 3.810 . 3.810 2.561 2.354 2.779 . 0 0 "[ . 1 . 2]" 1
735 1 75 ILE MD 1 87 ALA H 4.740 . 4.740 4.719 4.467 4.789 0.049 2 0 "[ . 1 . 2]" 1
736 1 75 ILE MD 1 87 ALA MB 4.080 . 4.080 2.293 2.195 2.392 . 0 0 "[ . 1 . 2]" 1
737 1 75 ILE MD 1 88 GLN H 4.060 . 4.060 3.203 3.070 3.360 . 0 0 "[ . 1 . 2]" 1
738 1 75 ILE MD 1 88 GLN HA 3.640 . 3.640 2.325 2.121 2.616 . 0 0 "[ . 1 . 2]" 1
739 1 75 ILE MD 1 88 GLN QB 4.360 . 4.360 3.723 3.544 4.039 . 0 0 "[ . 1 . 2]" 1
740 1 75 ILE MD 1 88 GLN QG 4.550 . 4.550 2.564 2.143 3.198 . 0 0 "[ . 1 . 2]" 1
741 1 75 ILE MD 1 91 HIS H 3.940 . 3.940 3.761 3.637 3.945 0.005 14 0 "[ . 1 . 2]" 1
742 1 75 ILE MD 1 91 HIS HB2 3.450 . 3.450 2.521 2.322 2.685 . 0 0 "[ . 1 . 2]" 1
743 1 75 ILE MD 1 91 HIS HB3 3.950 . 3.950 2.406 2.183 2.602 . 0 0 "[ . 1 . 2]" 1
744 1 75 ILE MD 1 91 HIS HD2 4.130 . 4.130 3.933 3.388 4.155 0.025 7 0 "[ . 1 . 2]" 1
745 1 75 ILE HG12 1 76 GLY H 4.370 . 4.370 4.276 4.090 4.382 0.012 2 0 "[ . 1 . 2]" 1
746 1 75 ILE HG13 1 75 ILE MG 3.720 . 3.720 2.340 2.323 2.366 . 0 0 "[ . 1 . 2]" 1
747 1 75 ILE HG13 1 88 GLN QG 4.190 . 4.190 3.541 2.866 4.059 . 0 0 "[ . 1 . 2]" 1
748 1 75 ILE MG 1 76 GLY H 3.850 . 3.850 3.494 3.384 3.612 . 0 0 "[ . 1 . 2]" 1
749 1 75 ILE MG 1 78 LEU H 5.160 . 5.160 4.724 4.563 4.822 . 0 0 "[ . 1 . 2]" 1
750 1 75 ILE MG 1 79 GLU H 4.980 . 4.980 3.928 3.799 4.082 . 0 0 "[ . 1 . 2]" 1
751 1 75 ILE MG 1 79 GLU HG3 4.200 . 4.200 3.842 3.539 4.160 . 0 0 "[ . 1 . 2]" 1
752 1 75 ILE MG 1 87 ALA H 4.870 . 4.870 4.427 4.197 4.872 0.002 13 0 "[ . 1 . 2]" 1
753 1 75 ILE MG 1 88 GLN H 4.060 . 4.060 3.672 3.409 4.065 0.005 13 0 "[ . 1 . 2]" 1
754 1 76 GLY H 1 76 GLY HA3 2.500 . 2.500 2.270 2.219 2.309 . 0 0 "[ . 1 . 2]" 1
755 1 76 GLY H 1 77 GLU H 3.130 . 3.130 2.719 2.587 2.833 . 0 0 "[ . 1 . 2]" 1
756 1 76 GLY H 1 77 GLU QG 4.850 . 4.850 3.997 3.742 4.286 . 0 0 "[ . 1 . 2]" 1
757 1 76 GLY H 1 78 LEU H 4.240 . 4.240 4.160 4.024 4.250 0.010 18 0 "[ . 1 . 2]" 1
758 1 76 GLY HA2 1 78 LEU H 5.040 . 5.040 4.558 4.311 4.726 . 0 0 "[ . 1 . 2]" 1
759 1 76 GLY HA2 1 79 GLU H 4.410 . 4.410 3.591 3.212 3.851 . 0 0 "[ . 1 . 2]" 1
760 1 76 GLY HA2 1 79 GLU QB 3.180 . 3.180 2.685 2.320 3.096 . 0 0 "[ . 1 . 2]" 1
761 1 76 GLY HA3 1 77 GLU H 3.510 . 3.510 2.865 2.746 2.978 . 0 0 "[ . 1 . 2]" 1
762 1 76 GLY HA3 1 77 GLU QG 4.680 . 4.680 3.842 3.613 4.087 . 0 0 "[ . 1 . 2]" 1
763 1 76 GLY HA3 1 79 GLU H 4.910 . 4.910 4.644 4.402 4.867 . 0 0 "[ . 1 . 2]" 1
764 1 77 GLU H 1 77 GLU HB2 3.500 . 3.500 2.543 2.344 2.611 . 0 0 "[ . 1 . 2]" 1
765 1 77 GLU H 1 77 GLU HB3 3.750 . 3.750 3.598 3.542 3.639 . 0 0 "[ . 1 . 2]" 1
766 1 77 GLU H 1 77 GLU QG 2.550 . 2.550 2.075 1.938 2.242 . 0 0 "[ . 1 . 2]" 1
767 1 77 GLU H 1 78 LEU H 2.890 . 2.890 2.318 2.230 2.470 . 0 0 "[ . 1 . 2]" 1
768 1 77 GLU H 1 78 LEU MD1 5.000 . 5.000 5.014 4.914 5.034 0.034 9 0 "[ . 1 . 2]" 1
769 1 77 GLU H 1 78 LEU HG 4.420 . 4.420 4.180 3.935 4.366 . 0 0 "[ . 1 . 2]" 1
770 1 77 GLU H 1 79 GLU H 4.130 . 4.130 3.689 3.550 3.806 . 0 0 "[ . 1 . 2]" 1
771 1 77 GLU HA 1 77 GLU QG 3.380 . 3.380 2.765 2.518 3.115 . 0 0 "[ . 1 . 2]" 1
772 1 77 GLU HA 1 80 GLN H 4.090 . 4.090 3.583 3.483 3.844 . 0 0 "[ . 1 . 2]" 1
773 1 77 GLU HA 1 80 GLN HB2 4.510 . 4.510 3.499 2.638 4.640 0.130 14 0 "[ . 1 . 2]" 1
774 1 77 GLU HA 1 80 GLN QB 3.940 . 3.940 3.081 2.610 3.593 . 0 0 "[ . 1 . 2]" 1
775 1 77 GLU HA 1 80 GLN HB3 4.510 . 4.510 4.143 2.936 4.546 0.036 10 0 "[ . 1 . 2]" 1
776 1 77 GLU HA 1 80 GLN QG 4.680 . 4.680 2.897 2.011 3.609 . 0 0 "[ . 1 . 2]" 1
777 1 77 GLU HB2 1 78 LEU HG 4.060 . 4.060 3.178 2.996 3.356 . 0 0 "[ . 1 . 2]" 1
778 1 77 GLU QG 1 78 LEU H 3.640 . 3.640 3.690 3.596 3.769 0.129 9 0 "[ . 1 . 2]" 1
779 1 77 GLU QG 1 79 GLU H 5.340 . 5.340 5.299 5.136 5.414 0.074 13 0 "[ . 1 . 2]" 1
780 1 78 LEU H 1 78 LEU HB2 2.810 . 2.810 2.404 2.361 2.472 . 0 0 "[ . 1 . 2]" 1
781 1 78 LEU H 1 78 LEU HB3 3.660 . 3.660 3.591 3.559 3.615 . 0 0 "[ . 1 . 2]" 1
782 1 78 LEU H 1 78 LEU MD1 3.790 . 3.790 3.611 3.530 3.672 . 0 0 "[ . 1 . 2]" 1
783 1 78 LEU H 1 78 LEU MD2 3.910 . 3.910 3.461 3.307 3.608 . 0 0 "[ . 1 . 2]" 1
784 1 78 LEU H 1 78 LEU HG 2.740 . 2.740 2.401 2.255 2.561 . 0 0 "[ . 1 . 2]" 1
785 1 78 LEU H 1 79 GLU H 2.910 . 2.910 2.528 2.440 2.604 . 0 0 "[ . 1 . 2]" 1
786 1 78 LEU H 1 80 GLN H 4.140 . 4.140 4.032 3.964 4.094 . 0 0 "[ . 1 . 2]" 1
787 1 78 LEU H 1 87 ALA MB 3.830 . 3.830 3.815 3.704 3.889 0.059 5 0 "[ . 1 . 2]" 1
788 1 78 LEU HA 1 78 LEU MD2 2.890 . 2.890 2.068 2.035 2.120 . 0 0 "[ . 1 . 2]" 1
789 1 78 LEU HA 1 78 LEU HG 3.780 . 3.780 3.082 3.008 3.177 . 0 0 "[ . 1 . 2]" 1
790 1 78 LEU HA 1 79 GLU H 3.490 . 3.490 3.463 3.424 3.505 0.015 13 0 "[ . 1 . 2]" 1
791 1 78 LEU HA 1 81 VAL MG1 4.090 . 4.090 4.111 4.008 4.164 0.074 10 0 "[ . 1 . 2]" 1
792 1 78 LEU HA 1 81 VAL MG2 4.030 . 4.030 2.236 2.102 2.445 . 0 0 "[ . 1 . 2]" 1
793 1 78 LEU HA 1 82 VAL H 4.930 . 4.930 4.107 3.861 4.528 . 0 0 "[ . 1 . 2]" 1
794 1 78 LEU HB2 1 78 LEU MD1 3.240 . 3.240 2.293 2.258 2.321 . 0 0 "[ . 1 . 2]" 1
795 1 78 LEU HB2 1 78 LEU MD2 3.450 . 3.450 3.185 3.178 3.196 . 0 0 "[ . 1 . 2]" 1
796 1 78 LEU HB2 1 79 GLU H 3.300 . 3.300 2.881 2.723 3.081 . 0 0 "[ . 1 . 2]" 1
797 1 78 LEU HB2 1 79 GLU HA 4.490 . 4.490 4.393 4.261 4.460 . 0 0 "[ . 1 . 2]" 1
798 1 78 LEU HB2 1 87 ALA MB 3.710 . 3.710 1.985 1.906 2.039 . 0 0 "[ . 1 . 2]" 1
799 1 78 LEU HB3 1 78 LEU MD1 3.390 . 3.390 2.360 2.323 2.387 . 0 0 "[ . 1 . 2]" 1
800 1 78 LEU HB3 1 79 GLU H 4.220 . 4.220 3.824 3.697 4.013 . 0 0 "[ . 1 . 2]" 1
801 1 78 LEU HB3 1 87 ALA HA 3.660 . 3.660 2.456 2.212 2.710 . 0 0 "[ . 1 . 2]" 1
802 1 78 LEU HB3 1 91 HIS HB2 5.220 . 5.220 5.244 5.070 5.286 0.066 17 0 "[ . 1 . 2]" 1
803 1 78 LEU MD1 1 79 GLU H 4.870 . 4.870 4.706 4.603 4.875 0.005 16 0 "[ . 1 . 2]" 1
804 1 78 LEU MD1 1 87 ALA HA 3.610 . 3.610 2.568 2.405 2.752 . 0 0 "[ . 1 . 2]" 1
805 1 78 LEU MD1 1 88 GLN HA 5.150 . 5.150 4.701 4.546 4.914 . 0 0 "[ . 1 . 2]" 1
806 1 78 LEU MD1 1 91 HIS H 3.620 . 3.620 3.205 2.954 3.450 . 0 0 "[ . 1 . 2]" 1
807 1 78 LEU MD1 1 91 HIS HA 3.710 . 3.710 3.547 3.298 3.736 0.026 9 0 "[ . 1 . 2]" 1
808 1 78 LEU MD1 1 91 HIS HB2 4.230 . 4.230 2.386 2.169 2.593 . 0 0 "[ . 1 . 2]" 1
809 1 78 LEU MD1 1 91 HIS HB3 3.970 . 3.970 3.743 3.527 3.979 0.009 14 0 "[ . 1 . 2]" 1
810 1 78 LEU MD1 1 92 ALA H 5.410 . 5.410 5.179 4.979 5.420 0.010 14 0 "[ . 1 . 2]" 1
811 1 78 LEU MD2 1 79 GLU H 4.980 . 4.980 4.726 4.673 4.751 . 0 0 "[ . 1 . 2]" 1
812 1 78 LEU MD2 1 81 VAL H 5.500 . 5.500 5.000 4.829 5.170 . 0 0 "[ . 1 . 2]" 1
813 1 78 LEU MD2 1 87 ALA HA 4.370 . 4.370 3.823 3.538 4.020 . 0 0 "[ . 1 . 2]" 1
814 1 78 LEU MD2 1 90 ILE MG 3.520 . 3.520 2.872 2.594 3.153 . 0 0 "[ . 1 . 2]" 1
815 1 78 LEU MD2 1 94 PHE QE 5.500 . 5.500 5.032 4.535 5.416 . 0 0 "[ . 1 . 2]" 1
816 1 78 LEU HG 1 79 GLU H 4.760 . 4.760 4.482 4.362 4.567 . 0 0 "[ . 1 . 2]" 1
817 1 79 GLU H 1 79 GLU HA 2.940 . 2.940 2.848 2.820 2.885 . 0 0 "[ . 1 . 2]" 1
818 1 79 GLU H 1 79 GLU QB 2.500 . 2.500 2.224 2.185 2.298 . 0 0 "[ . 1 . 2]" 1
819 1 79 GLU H 1 79 GLU HG2 4.520 . 4.520 4.420 4.338 4.489 . 0 0 "[ . 1 . 2]" 1
820 1 79 GLU H 1 80 GLN H 3.050 . 3.050 2.416 2.268 2.507 . 0 0 "[ . 1 . 2]" 1
821 1 79 GLU H 1 80 GLN QB 4.180 . 4.180 4.252 4.225 4.298 0.118 12 0 "[ . 1 . 2]" 1
822 1 79 GLU H 1 81 VAL H 4.390 . 4.390 4.015 3.791 4.167 . 0 0 "[ . 1 . 2]" 1
823 1 79 GLU H 1 81 VAL MG2 4.580 . 4.580 4.268 3.971 4.498 . 0 0 "[ . 1 . 2]" 1
824 1 79 GLU H 1 82 VAL H 5.050 . 5.050 4.697 4.547 4.859 . 0 0 "[ . 1 . 2]" 1
825 1 79 GLU H 1 87 ALA MB 3.340 . 3.340 3.143 2.975 3.299 . 0 0 "[ . 1 . 2]" 1
826 1 79 GLU HA 1 79 GLU HG2 3.940 . 3.940 2.520 2.429 2.747 . 0 0 "[ . 1 . 2]" 1
827 1 79 GLU HA 1 79 GLU HG3 4.130 . 4.130 3.653 2.669 3.778 . 0 0 "[ . 1 . 2]" 1
828 1 79 GLU HA 1 80 GLN QB 5.340 . 5.340 5.252 5.191 5.316 . 0 0 "[ . 1 . 2]" 1
829 1 79 GLU HA 1 81 VAL H 4.170 . 4.170 3.878 3.784 3.977 . 0 0 "[ . 1 . 2]" 1
830 1 79 GLU HA 1 82 VAL H 3.810 . 3.810 3.347 3.171 3.470 . 0 0 "[ . 1 . 2]" 1
831 1 79 GLU HA 1 82 VAL MG2 4.290 . 4.290 3.604 3.152 4.358 0.068 12 0 "[ . 1 . 2]" 1
832 1 79 GLU HA 1 83 GLY H 2.830 . 2.830 2.462 2.337 2.550 . 0 0 "[ . 1 . 2]" 1
833 1 79 GLU HA 1 83 GLY HA2 3.820 . 3.820 2.871 2.599 3.085 . 0 0 "[ . 1 . 2]" 1
834 1 79 GLU HA 1 87 ALA MB 3.370 . 3.370 2.935 2.714 3.060 . 0 0 "[ . 1 . 2]" 1
835 1 79 GLU QB 1 79 GLU HG3 2.690 . 2.690 2.137 2.106 2.199 . 0 0 "[ . 1 . 2]" 1
836 1 79 GLU QB 1 80 GLN HA 4.960 . 4.960 4.118 3.920 4.301 . 0 0 "[ . 1 . 2]" 1
837 1 79 GLU QB 1 84 GLN H 4.040 . 4.040 4.028 3.786 4.128 0.088 13 0 "[ . 1 . 2]" 1
838 1 79 GLU QB 1 84 GLN HA 3.070 . 3.070 2.705 2.401 3.037 . 0 0 "[ . 1 . 2]" 1
839 1 79 GLU QB 1 87 ALA MB 3.910 . 3.910 3.024 2.706 3.236 . 0 0 "[ . 1 . 2]" 1
840 1 79 GLU HG2 1 83 GLY H 4.080 . 4.080 4.119 4.084 4.201 0.121 7 0 "[ . 1 . 2]" 1
841 1 79 GLU HG2 1 83 GLY HA2 4.000 . 4.000 2.479 2.070 2.745 . 0 0 "[ . 1 . 2]" 1
842 1 79 GLU HG2 1 84 GLN H 4.340 . 4.340 2.350 2.060 3.713 . 0 0 "[ . 1 . 2]" 1
843 1 79 GLU HG3 1 84 GLN H 4.260 . 4.260 3.350 2.351 3.562 . 0 0 "[ . 1 . 2]" 1
844 1 79 GLU HG3 1 84 GLN HA 3.740 . 3.740 3.171 2.548 3.636 . 0 0 "[ . 1 . 2]" 1
845 1 79 GLU HG3 1 87 ALA MB 4.690 . 4.690 4.562 4.142 4.755 0.065 6 0 "[ . 1 . 2]" 1
846 1 80 GLN H 1 80 GLN HB2 3.560 . 3.560 2.655 2.185 3.578 0.018 16 0 "[ . 1 . 2]" 1
847 1 80 GLN H 1 80 GLN QB 2.880 . 2.880 2.246 2.164 2.344 . 0 0 "[ . 1 . 2]" 1
848 1 80 GLN H 1 80 GLN HB3 3.560 . 3.560 3.159 2.185 3.569 0.009 15 0 "[ . 1 . 2]" 1
849 1 80 GLN H 1 80 GLN HG2 3.860 . 3.860 3.011 2.155 3.803 . 0 0 "[ . 1 . 2]" 1
850 1 80 GLN H 1 80 GLN QG 3.250 . 3.250 2.363 2.098 2.698 . 0 0 "[ . 1 . 2]" 1
851 1 80 GLN H 1 80 GLN HG3 3.860 . 3.860 3.002 2.118 3.876 0.016 7 0 "[ . 1 . 2]" 1
852 1 80 GLN H 1 81 VAL H 2.990 . 2.990 2.660 2.502 2.761 . 0 0 "[ . 1 . 2]" 1
853 1 80 GLN H 1 81 VAL HA 5.450 . 5.450 5.222 5.112 5.308 . 0 0 "[ . 1 . 2]" 1
854 1 80 GLN H 1 81 VAL MG1 4.600 . 4.600 4.456 4.268 4.601 0.001 8 0 "[ . 1 . 2]" 1
855 1 80 GLN H 1 82 VAL H 4.270 . 4.270 4.137 3.911 4.279 0.009 2 0 "[ . 1 . 2]" 1
856 1 80 GLN HA 1 80 GLN HG2 4.070 . 4.070 2.977 2.446 3.815 . 0 0 "[ . 1 . 2]" 1
857 1 80 GLN HA 1 80 GLN QG 3.510 . 3.510 2.741 2.302 3.346 . 0 0 "[ . 1 . 2]" 1
858 1 80 GLN HA 1 80 GLN HG3 4.070 . 4.070 3.289 2.740 3.762 . 0 0 "[ . 1 . 2]" 1
859 1 80 GLN HA 1 81 VAL MG2 4.810 . 4.810 4.892 4.854 4.955 0.145 20 0 "[ . 1 . 2]" 1
860 1 80 GLN QB 1 81 VAL H 4.110 . 4.110 3.092 2.651 3.746 . 0 0 "[ . 1 . 2]" 1
861 1 80 GLN QB 1 81 VAL MG2 4.710 . 4.710 3.796 3.184 4.647 . 0 0 "[ . 1 . 2]" 1
862 1 80 GLN QG 1 81 VAL H 4.810 . 4.810 3.804 2.444 4.457 . 0 0 "[ . 1 . 2]" 1
863 1 80 GLN HG2 1 81 VAL H 5.500 . 5.500 4.370 2.546 5.262 . 0 0 "[ . 1 . 2]" 1
864 1 80 GLN HG3 1 81 VAL H 5.500 . 5.500 4.281 2.939 5.442 . 0 0 "[ . 1 . 2]" 1
865 1 81 VAL H 1 81 VAL HB 3.660 . 3.660 3.681 3.663 3.696 0.036 4 0 "[ . 1 . 2]" 1
866 1 81 VAL H 1 81 VAL MG1 3.050 . 3.050 2.844 2.743 2.978 . 0 0 "[ . 1 . 2]" 1
867 1 81 VAL H 1 81 VAL MG2 3.730 . 3.730 1.920 1.882 1.968 . 0 0 "[ . 1 . 2]" 1
868 1 81 VAL H 1 82 VAL H 2.690 . 2.690 2.120 2.054 2.226 . 0 0 "[ . 1 . 2]" 1
869 1 81 VAL H 1 82 VAL MG2 4.220 . 4.220 3.697 3.566 3.846 . 0 0 "[ . 1 . 2]" 1
870 1 81 VAL H 1 83 GLY H 4.500 . 4.500 4.541 4.512 4.571 0.071 15 0 "[ . 1 . 2]" 1
871 1 81 VAL H 1 87 ALA MB 5.330 . 5.330 5.328 5.227 5.367 0.037 7 0 "[ . 1 . 2]" 1
872 1 81 VAL HA 1 81 VAL MG1 3.140 . 3.140 2.236 2.199 2.297 . 0 0 "[ . 1 . 2]" 1
873 1 81 VAL HA 1 81 VAL MG2 3.230 . 3.230 3.169 3.148 3.179 . 0 0 "[ . 1 . 2]" 1
874 1 81 VAL HB 1 82 VAL H 3.590 . 3.590 3.684 3.633 3.764 0.174 7 0 "[ . 1 . 2]" 1
875 1 81 VAL MG1 1 82 VAL H 4.150 . 4.150 4.073 3.998 4.153 0.003 16 0 "[ . 1 . 2]" 1
876 1 81 VAL MG2 1 82 VAL H 3.760 . 3.760 2.308 2.189 2.485 . 0 0 "[ . 1 . 2]" 1
877 1 82 VAL H 1 82 VAL MG1 4.710 . 4.710 3.488 3.120 3.998 . 0 0 "[ . 1 . 2]" 1
878 1 82 VAL H 1 82 VAL MG2 2.660 . 2.660 2.285 2.128 2.479 . 0 0 "[ . 1 . 2]" 1
879 1 82 VAL H 1 83 GLY H 2.860 . 2.860 2.820 2.698 2.882 0.022 9 0 "[ . 1 . 2]" 1
880 1 82 VAL H 1 83 GLY HA2 4.450 . 4.450 4.445 4.345 4.487 0.037 20 0 "[ . 1 . 2]" 1
881 1 82 VAL HA 1 82 VAL MG1 3.450 . 3.450 2.195 2.130 2.263 . 0 0 "[ . 1 . 2]" 1
882 1 82 VAL HB 1 83 GLY H 3.580 . 3.580 2.406 1.721 2.816 . 0 0 "[ . 1 . 2]" 1
883 1 82 VAL HB 1 86 VAL H 4.610 . 4.610 4.630 4.475 4.688 0.078 20 0 "[ . 1 . 2]" 1
884 1 82 VAL HB 1 86 VAL HB 3.750 . 3.750 2.454 2.233 2.755 . 0 0 "[ . 1 . 2]" 1
885 1 82 VAL HB 1 86 VAL MG1 4.630 . 4.630 2.489 2.123 3.301 . 0 0 "[ . 1 . 2]" 1
886 1 82 VAL HB 1 86 VAL QG 3.420 . 3.420 2.116 1.915 2.812 . 0 0 "[ . 1 . 2]" 1
887 1 82 VAL HB 1 86 VAL MG2 4.630 . 4.630 2.326 1.988 3.047 . 0 0 "[ . 1 . 2]" 1
888 1 82 VAL MG1 1 83 GLY HA3 5.190 . 5.190 4.750 3.604 5.241 0.051 6 0 "[ . 1 . 2]" 1
889 1 82 VAL MG1 1 86 VAL QG 2.790 . 2.790 2.222 1.711 2.549 . 0 0 "[ . 1 . 2]" 1
890 1 82 VAL MG2 1 83 GLY H 3.240 . 3.240 2.108 1.623 3.133 . 0 0 "[ . 1 . 2]" 1
891 1 82 VAL MG2 1 86 VAL HB 3.440 . 3.440 2.519 2.028 3.470 0.030 16 0 "[ . 1 . 2]" 1
892 1 83 GLY H 1 83 GLY HA2 2.860 . 2.860 2.754 2.728 2.780 . 0 0 "[ . 1 . 2]" 1
893 1 83 GLY H 1 83 GLY HA3 2.940 . 2.940 2.767 2.741 2.790 . 0 0 "[ . 1 . 2]" 1
894 1 83 GLY H 1 84 GLN H 4.400 . 4.400 4.211 4.152 4.262 . 0 0 "[ . 1 . 2]" 1
895 1 83 GLY H 1 84 GLN HA 5.350 . 5.350 4.589 4.379 4.880 . 0 0 "[ . 1 . 2]" 1
896 1 83 GLY H 1 85 ALA H 5.260 . 5.260 5.254 5.086 5.337 0.077 3 0 "[ . 1 . 2]" 1
897 1 83 GLY H 1 86 VAL MG1 4.910 . 4.910 4.047 3.562 4.405 . 0 0 "[ . 1 . 2]" 1
898 1 83 GLY H 1 86 VAL QG 3.550 . 3.550 2.985 2.865 3.180 . 0 0 "[ . 1 . 2]" 1
899 1 83 GLY H 1 86 VAL MG2 4.910 . 4.910 3.085 2.917 3.496 . 0 0 "[ . 1 . 2]" 1
900 1 83 GLY H 1 87 ALA HA 5.500 . 5.500 4.757 4.556 4.949 . 0 0 "[ . 1 . 2]" 1
901 1 83 GLY H 1 87 ALA MB 4.080 . 4.080 3.470 3.245 3.688 . 0 0 "[ . 1 . 2]" 1
902 1 83 GLY HA2 1 84 GLN H 2.880 . 2.880 2.431 2.341 2.537 . 0 0 "[ . 1 . 2]" 1
903 1 83 GLY HA2 1 84 GLN HA 4.390 . 4.390 4.268 4.188 4.337 . 0 0 "[ . 1 . 2]" 1
904 1 83 GLY HA2 1 86 VAL QG 4.720 . 4.720 3.812 3.577 4.385 . 0 0 "[ . 1 . 2]" 1
905 1 83 GLY HA3 1 84 GLN H 2.990 . 2.990 2.731 2.628 2.842 . 0 0 "[ . 1 . 2]" 1
906 1 83 GLY HA3 1 86 VAL H 4.500 . 4.500 3.479 3.190 3.774 . 0 0 "[ . 1 . 2]" 1
907 1 84 GLN H 1 84 GLN QB 2.670 . 2.670 2.408 2.091 2.694 0.024 6 0 "[ . 1 . 2]" 1
908 1 84 GLN H 1 84 GLN HG2 4.610 . 4.610 3.401 2.014 4.483 . 0 0 "[ . 1 . 2]" 1
909 1 84 GLN H 1 84 GLN HG3 4.610 . 4.610 3.551 2.096 4.522 . 0 0 "[ . 1 . 2]" 1
910 1 84 GLN H 1 85 ALA H 3.610 . 3.610 2.703 2.551 2.919 . 0 0 "[ . 1 . 2]" 1
911 1 84 GLN H 1 85 ALA MB 4.670 . 4.670 4.401 4.242 4.597 . 0 0 "[ . 1 . 2]" 1
912 1 84 GLN H 1 86 VAL H 4.430 . 4.430 4.032 3.855 4.229 . 0 0 "[ . 1 . 2]" 1
913 1 84 GLN H 1 87 ALA MB 5.200 . 5.200 4.407 4.264 4.534 . 0 0 "[ . 1 . 2]" 1
914 1 84 GLN HA 1 84 GLN HG2 3.880 . 3.880 3.157 2.467 3.797 . 0 0 "[ . 1 . 2]" 1
915 1 84 GLN HA 1 84 GLN HG3 3.880 . 3.880 3.264 2.540 3.794 . 0 0 "[ . 1 . 2]" 1
916 1 84 GLN HA 1 87 ALA MB 3.210 . 3.210 2.425 2.038 2.716 . 0 0 "[ . 1 . 2]" 1
917 1 84 GLN HA 1 88 GLN QB 5.500 . 5.500 5.341 5.025 5.539 0.039 6 0 "[ . 1 . 2]" 1
918 1 84 GLN QB 1 85 ALA H 3.730 . 3.730 2.812 2.264 3.507 . 0 0 "[ . 1 . 2]" 1
919 1 84 GLN QB 1 86 VAL H 5.340 . 5.340 4.675 4.334 5.125 . 0 0 "[ . 1 . 2]" 1
920 1 84 GLN QB 1 87 ALA H 5.320 . 5.320 4.919 4.676 5.052 . 0 0 "[ . 1 . 2]" 1
921 1 84 GLN HB2 1 85 ALA H 4.260 . 4.260 3.501 2.350 3.955 . 0 0 "[ . 1 . 2]" 1
922 1 84 GLN HB3 1 85 ALA H 4.260 . 4.260 3.256 2.291 4.117 . 0 0 "[ . 1 . 2]" 1
923 1 84 GLN QG 1 85 ALA H 4.610 . 4.610 3.301 2.055 4.418 . 0 0 "[ . 1 . 2]" 1
924 1 85 ALA H 1 85 ALA MB 2.830 . 2.830 2.252 2.231 2.274 . 0 0 "[ . 1 . 2]" 1
925 1 85 ALA H 1 86 VAL H 3.310 . 3.310 2.496 2.328 2.581 . 0 0 "[ . 1 . 2]" 1
926 1 85 ALA H 1 86 VAL QG 4.890 . 4.890 3.388 3.253 3.733 . 0 0 "[ . 1 . 2]" 1
927 1 85 ALA H 1 87 ALA H 4.320 . 4.320 3.950 3.848 4.129 . 0 0 "[ . 1 . 2]" 1
928 1 85 ALA H 1 88 GLN H 5.130 . 5.130 4.737 4.572 4.943 . 0 0 "[ . 1 . 2]" 1
929 1 85 ALA HA 1 87 ALA H 4.600 . 4.600 4.390 4.243 4.618 0.018 16 0 "[ . 1 . 2]" 1
930 1 85 ALA HA 1 88 GLN H 3.850 . 3.850 3.522 3.158 3.831 . 0 0 "[ . 1 . 2]" 1
931 1 85 ALA HA 1 88 GLN QB 3.850 . 3.850 2.741 2.346 3.261 . 0 0 "[ . 1 . 2]" 1
932 1 85 ALA MB 1 86 VAL H 2.940 . 2.940 2.679 2.520 2.834 . 0 0 "[ . 1 . 2]" 1
933 1 85 ALA MB 1 86 VAL QG 4.900 . 4.900 2.997 2.876 3.183 . 0 0 "[ . 1 . 2]" 1
934 1 86 VAL H 1 86 VAL HB 2.880 . 2.880 2.770 2.429 2.873 . 0 0 "[ . 1 . 2]" 1
935 1 86 VAL H 1 86 VAL MG1 3.940 . 3.940 3.725 3.675 3.763 . 0 0 "[ . 1 . 2]" 1
936 1 86 VAL H 1 86 VAL QG 2.970 . 2.970 1.740 1.684 2.151 . 0 0 "[ . 1 . 2]" 1
937 1 86 VAL H 1 86 VAL MG2 3.940 . 3.940 1.743 1.686 2.166 . 0 0 "[ . 1 . 2]" 1
938 1 86 VAL H 1 87 ALA H 2.840 . 2.840 2.307 2.212 2.442 . 0 0 "[ . 1 . 2]" 1
939 1 86 VAL H 1 88 GLN H 4.180 . 4.180 3.905 3.709 4.038 . 0 0 "[ . 1 . 2]" 1
940 1 86 VAL H 1 88 GLN QB 5.010 . 5.010 4.704 4.547 4.898 . 0 0 "[ . 1 . 2]" 1
941 1 86 VAL HA 1 86 VAL MG1 3.170 . 3.170 2.252 2.181 2.362 . 0 0 "[ . 1 . 2]" 1
942 1 86 VAL HA 1 86 VAL QG 2.570 . 2.570 2.122 2.082 2.145 . 0 0 "[ . 1 . 2]" 1
943 1 86 VAL HA 1 86 VAL MG2 3.170 . 3.170 2.608 2.348 2.687 . 0 0 "[ . 1 . 2]" 1
944 1 86 VAL HA 1 89 GLN H 3.800 . 3.800 3.422 3.282 3.639 . 0 0 "[ . 1 . 2]" 1
945 1 86 VAL HB 1 87 ALA H 3.610 . 3.610 2.383 2.194 2.543 . 0 0 "[ . 1 . 2]" 1
946 1 86 VAL QG 1 87 ALA H 2.720 . 2.720 2.931 2.900 2.974 0.254 2 0 "[ . 1 . 2]" 1
947 1 86 VAL QG 1 87 ALA MB 5.140 . 5.140 3.951 3.799 4.004 . 0 0 "[ . 1 . 2]" 1
948 1 86 VAL QG 1 89 GLN H 4.850 . 4.850 4.322 4.205 4.455 . 0 0 "[ . 1 . 2]" 1
949 1 86 VAL QG 1 89 GLN HB3 5.350 . 5.350 4.921 4.622 5.200 . 0 0 "[ . 1 . 2]" 1
950 1 86 VAL QG 1 89 GLN QG 4.330 . 4.330 2.922 2.795 3.095 . 0 0 "[ . 1 . 2]" 1
951 1 87 ALA H 1 87 ALA HA 2.930 . 2.930 2.807 2.772 2.834 . 0 0 "[ . 1 . 2]" 1
952 1 87 ALA H 1 87 ALA MB 2.580 . 2.580 2.253 2.221 2.284 . 0 0 "[ . 1 . 2]" 1
953 1 87 ALA H 1 88 GLN H 2.960 . 2.960 2.700 2.600 2.779 . 0 0 "[ . 1 . 2]" 1
954 1 87 ALA H 1 88 GLN HA 5.370 . 5.370 5.291 5.196 5.361 . 0 0 "[ . 1 . 2]" 1
955 1 87 ALA H 1 88 GLN QB 4.360 . 4.360 4.432 4.397 4.467 0.107 14 0 "[ . 1 . 2]" 1
956 1 87 ALA H 1 89 GLN H 4.320 . 4.320 4.248 4.052 4.359 0.039 6 0 "[ . 1 . 2]" 1
957 1 87 ALA HA 1 88 GLN QB 5.500 . 5.500 5.289 5.256 5.329 . 0 0 "[ . 1 . 2]" 1
958 1 87 ALA HA 1 90 ILE H 3.810 . 3.810 3.677 3.578 3.829 0.019 2 0 "[ . 1 . 2]" 1
959 1 87 ALA HA 1 90 ILE HB 3.170 . 3.170 2.836 2.667 3.052 . 0 0 "[ . 1 . 2]" 1
960 1 87 ALA HA 1 90 ILE MD 3.940 . 3.940 2.586 2.279 2.791 . 0 0 "[ . 1 . 2]" 1
961 1 87 ALA HA 1 90 ILE MG 4.420 . 4.420 4.124 3.931 4.322 . 0 0 "[ . 1 . 2]" 1
962 1 87 ALA HA 1 91 HIS H 4.000 . 4.000 3.880 3.757 3.999 . 0 0 "[ . 1 . 2]" 1
963 1 87 ALA MB 1 88 GLN H 3.040 . 3.040 2.391 2.278 2.497 . 0 0 "[ . 1 . 2]" 1
964 1 87 ALA MB 1 88 GLN QB 5.090 . 5.090 4.045 3.836 4.192 . 0 0 "[ . 1 . 2]" 1
965 1 87 ALA MB 1 90 ILE H 4.780 . 4.780 4.692 4.618 4.787 0.007 13 0 "[ . 1 . 2]" 1
966 1 87 ALA MB 1 90 ILE HB 4.520 . 4.520 4.234 4.099 4.453 . 0 0 "[ . 1 . 2]" 1
967 1 88 GLN H 1 88 GLN QB 2.600 . 2.600 2.206 2.136 2.274 . 0 0 "[ . 1 . 2]" 1
968 1 88 GLN H 1 88 GLN QG 3.010 . 3.010 2.338 2.192 2.505 . 0 0 "[ . 1 . 2]" 1
969 1 88 GLN H 1 89 GLN H 2.970 . 2.970 2.790 2.636 2.921 . 0 0 "[ . 1 . 2]" 1
970 1 88 GLN H 1 89 GLN QG 4.610 . 4.610 4.203 3.996 4.413 . 0 0 "[ . 1 . 2]" 1
971 1 88 GLN H 1 90 ILE H 4.300 . 4.300 4.107 4.008 4.205 . 0 0 "[ . 1 . 2]" 1
972 1 88 GLN H 1 92 ALA H 5.500 . 5.500 5.613 5.570 5.652 0.152 12 0 "[ . 1 . 2]" 1
973 1 88 GLN HA 1 88 GLN HG2 4.130 . 4.130 2.593 2.400 2.936 . 0 0 "[ . 1 . 2]" 1
974 1 88 GLN HA 1 88 GLN QG 3.340 . 3.340 2.479 2.290 2.832 . 0 0 "[ . 1 . 2]" 1
975 1 88 GLN HA 1 88 GLN HG3 4.130 . 4.130 3.184 2.804 3.720 . 0 0 "[ . 1 . 2]" 1
976 1 88 GLN HA 1 90 ILE H 4.500 . 4.500 4.367 4.177 4.514 0.014 4 0 "[ . 1 . 2]" 1
977 1 88 GLN HA 1 91 HIS H 3.640 . 3.640 3.578 3.387 3.696 0.056 5 0 "[ . 1 . 2]" 1
978 1 88 GLN HA 1 91 HIS HB2 4.300 . 4.300 3.909 3.361 4.215 . 0 0 "[ . 1 . 2]" 1
979 1 88 GLN HA 1 92 ALA H 4.110 . 4.110 3.558 3.404 3.761 . 0 0 "[ . 1 . 2]" 1
980 1 88 GLN QB 1 89 GLN H 3.460 . 3.460 2.571 2.364 2.867 . 0 0 "[ . 1 . 2]" 1
981 1 88 GLN QB 1 89 GLN HA 4.030 . 4.030 3.847 3.740 4.014 . 0 0 "[ . 1 . 2]" 1
982 1 88 GLN QB 1 90 ILE H 5.500 . 5.500 4.558 4.428 4.823 . 0 0 "[ . 1 . 2]" 1
983 1 88 GLN QG 1 89 GLN H 4.710 . 4.710 4.225 4.098 4.340 . 0 0 "[ . 1 . 2]" 1
984 1 89 GLN H 1 89 GLN HB2 3.750 . 3.750 3.673 3.636 3.708 . 0 0 "[ . 1 . 2]" 1
985 1 89 GLN H 1 89 GLN HB3 2.880 . 2.880 2.754 2.602 2.872 . 0 0 "[ . 1 . 2]" 1
986 1 89 GLN H 1 89 GLN HG2 3.460 . 3.460 2.165 1.985 2.400 . 0 0 "[ . 1 . 2]" 1
987 1 89 GLN H 1 89 GLN QG 2.730 . 2.730 2.135 1.963 2.359 . 0 0 "[ . 1 . 2]" 1
988 1 89 GLN H 1 89 GLN HG3 3.460 . 3.460 3.279 3.025 3.483 0.023 20 0 "[ . 1 . 2]" 1
989 1 89 GLN H 1 90 ILE H 2.930 . 2.930 2.543 2.451 2.616 . 0 0 "[ . 1 . 2]" 1
990 1 89 GLN H 1 90 ILE HA 5.500 . 5.500 5.202 5.127 5.279 . 0 0 "[ . 1 . 2]" 1
991 1 89 GLN H 1 90 ILE HB 4.970 . 4.970 4.765 4.612 4.835 . 0 0 "[ . 1 . 2]" 1
992 1 89 GLN H 1 90 ILE MD 5.460 . 5.460 5.107 5.035 5.248 . 0 0 "[ . 1 . 2]" 1
993 1 89 GLN H 1 90 ILE QG 5.340 . 5.340 4.097 3.962 4.225 . 0 0 "[ . 1 . 2]" 1
994 1 89 GLN H 1 91 HIS H 4.230 . 4.230 4.197 3.920 4.261 0.031 19 0 "[ . 1 . 2]" 1
995 1 89 GLN H 1 92 ALA H 5.100 . 5.100 4.603 4.365 4.716 . 0 0 "[ . 1 . 2]" 1
996 1 89 GLN H 1 92 ALA MB 4.710 . 4.710 4.630 4.471 4.745 0.035 10 0 "[ . 1 . 2]" 1
997 1 89 GLN HA 1 89 GLN QG 3.730 . 3.730 3.352 3.325 3.373 . 0 0 "[ . 1 . 2]" 1
998 1 89 GLN HA 1 90 ILE HA 4.850 . 4.850 4.735 4.686 4.780 . 0 0 "[ . 1 . 2]" 1
999 1 89 GLN HA 1 91 HIS H 4.720 . 4.720 4.552 4.329 4.733 0.013 10 0 "[ . 1 . 2]" 1
1000 1 89 GLN HA 1 92 ALA H 4.090 . 4.090 3.533 3.106 3.822 . 0 0 "[ . 1 . 2]" 1
1001 1 89 GLN HA 1 92 ALA MB 3.480 . 3.480 2.716 2.358 3.138 . 0 0 "[ . 1 . 2]" 1
1002 1 89 GLN HA 1 93 PHE H 4.430 . 4.430 4.154 3.922 4.362 . 0 0 "[ . 1 . 2]" 1
1003 1 89 GLN HA 1 93 PHE HB2 4.940 . 4.940 4.729 4.559 4.967 0.027 18 0 "[ . 1 . 2]" 1
1004 1 89 GLN HB2 1 90 ILE H 3.850 . 3.850 3.878 3.830 3.909 0.059 20 0 "[ . 1 . 2]" 1
1005 1 89 GLN HB3 1 90 ILE H 4.240 . 4.240 4.107 3.974 4.238 . 0 0 "[ . 1 . 2]" 1
1006 1 89 GLN QG 1 90 ILE H 3.600 . 3.600 2.429 2.311 2.597 . 0 0 "[ . 1 . 2]" 1
1007 1 89 GLN QG 1 91 HIS H 4.960 . 4.960 4.680 4.546 4.841 . 0 0 "[ . 1 . 2]" 1
1008 1 89 GLN HG2 1 90 ILE H 4.380 . 4.380 2.894 2.610 3.202 . 0 0 "[ . 1 . 2]" 1
1009 1 89 GLN HG3 1 90 ILE H 4.380 . 4.380 2.633 2.466 2.827 . 0 0 "[ . 1 . 2]" 1
1010 1 90 ILE H 1 90 ILE HB 3.140 . 3.140 2.514 2.467 2.570 . 0 0 "[ . 1 . 2]" 1
1011 1 90 ILE H 1 90 ILE MD 3.940 . 3.940 3.586 3.526 3.684 . 0 0 "[ . 1 . 2]" 1
1012 1 90 ILE H 1 90 ILE HG12 4.350 . 4.350 3.526 3.360 3.672 . 0 0 "[ . 1 . 2]" 1
1013 1 90 ILE H 1 90 ILE QG 3.470 . 3.470 2.208 2.065 2.354 . 0 0 "[ . 1 . 2]" 1
1014 1 90 ILE H 1 90 ILE HG13 4.350 . 4.350 2.231 2.084 2.383 . 0 0 "[ . 1 . 2]" 1
1015 1 90 ILE H 1 90 ILE MG 3.810 . 3.810 3.783 3.767 3.804 . 0 0 "[ . 1 . 2]" 1
1016 1 90 ILE H 1 91 HIS H 3.120 . 3.120 2.603 2.514 2.680 . 0 0 "[ . 1 . 2]" 1
1017 1 90 ILE H 1 91 HIS HB2 5.010 . 5.010 4.859 4.696 4.969 . 0 0 "[ . 1 . 2]" 1
1018 1 90 ILE H 1 92 ALA H 4.080 . 4.080 3.980 3.830 4.076 . 0 0 "[ . 1 . 2]" 1
1019 1 90 ILE H 1 92 ALA MB 5.050 . 5.050 4.842 4.698 4.953 . 0 0 "[ . 1 . 2]" 1
1020 1 90 ILE H 1 93 PHE H 4.710 . 4.710 4.666 4.576 4.720 0.010 18 0 "[ . 1 . 2]" 1
1021 1 90 ILE HA 1 90 ILE MD 4.230 . 4.230 3.878 3.852 3.893 . 0 0 "[ . 1 . 2]" 1
1022 1 90 ILE HA 1 90 ILE HG12 3.900 . 3.900 2.603 2.561 2.631 . 0 0 "[ . 1 . 2]" 1
1023 1 90 ILE HA 1 90 ILE QG 3.310 . 3.310 2.452 2.416 2.484 . 0 0 "[ . 1 . 2]" 1
1024 1 90 ILE HA 1 90 ILE HG13 3.900 . 3.900 2.994 2.941 3.062 . 0 0 "[ . 1 . 2]" 1
1025 1 90 ILE HA 1 90 ILE MG 3.240 . 3.240 2.445 2.399 2.484 . 0 0 "[ . 1 . 2]" 1
1026 1 90 ILE HA 1 93 PHE H 3.700 . 3.700 3.654 3.469 3.727 0.027 8 0 "[ . 1 . 2]" 1
1027 1 90 ILE HA 1 93 PHE HA 5.280 . 5.280 5.229 5.006 5.302 0.022 1 0 "[ . 1 . 2]" 1
1028 1 90 ILE HA 1 93 PHE HB2 3.610 . 3.610 2.904 2.697 3.070 . 0 0 "[ . 1 . 2]" 1
1029 1 90 ILE HA 1 93 PHE QB 3.890 . 3.890 2.736 2.569 2.837 . 0 0 "[ . 1 . 2]" 1
1030 1 90 ILE HA 1 93 PHE HB3 3.960 . 3.960 3.361 3.062 3.486 . 0 0 "[ . 1 . 2]" 1
1031 1 90 ILE HA 1 93 PHE QD 4.750 . 4.750 4.358 4.169 4.581 . 0 0 "[ . 1 . 2]" 1
1032 1 90 ILE HA 1 94 PHE H 5.260 . 5.260 5.216 4.899 5.280 0.020 5 0 "[ . 1 . 2]" 1
1033 1 90 ILE HA 1 94 PHE QD 5.500 . 5.500 5.096 4.800 5.418 . 0 0 "[ . 1 . 2]" 1
1034 1 90 ILE HB 1 90 ILE MD 3.670 . 3.670 2.409 2.386 2.425 . 0 0 "[ . 1 . 2]" 1
1035 1 90 ILE HB 1 91 HIS H 2.920 . 2.920 2.386 2.243 2.478 . 0 0 "[ . 1 . 2]" 1
1036 1 90 ILE HB 1 92 ALA H 5.330 . 5.330 4.866 4.708 5.027 . 0 0 "[ . 1 . 2]" 1
1037 1 90 ILE MD 1 91 HIS H 5.170 . 5.170 4.376 4.259 4.460 . 0 0 "[ . 1 . 2]" 1
1038 1 90 ILE QG 1 91 HIS H 4.800 . 4.800 3.940 3.815 4.008 . 0 0 "[ . 1 . 2]" 1
1039 1 90 ILE MG 1 91 HIS H 3.590 . 3.590 3.240 3.178 3.322 . 0 0 "[ . 1 . 2]" 1
1040 1 90 ILE MG 1 91 HIS HA 4.100 . 4.100 3.204 3.067 3.347 . 0 0 "[ . 1 . 2]" 1
1041 1 90 ILE MG 1 92 ALA H 5.130 . 5.130 4.985 4.821 5.090 . 0 0 "[ . 1 . 2]" 1
1042 1 90 ILE MG 1 93 PHE H 4.580 . 4.580 4.594 4.425 4.632 0.052 5 0 "[ . 1 . 2]" 1
1043 1 90 ILE MG 1 93 PHE HB3 4.430 . 4.430 3.995 3.879 4.082 . 0 0 "[ . 1 . 2]" 1
1044 1 90 ILE MG 1 93 PHE QD 5.280 . 5.280 4.912 4.675 5.039 . 0 0 "[ . 1 . 2]" 1
1045 1 90 ILE MG 1 94 PHE H 5.220 . 5.220 5.024 4.683 5.148 . 0 0 "[ . 1 . 2]" 1
1046 1 90 ILE MG 1 94 PHE QD 5.470 . 5.470 3.916 3.458 4.212 . 0 0 "[ . 1 . 2]" 1
1047 1 90 ILE MG 1 94 PHE QE 3.770 . 3.770 2.702 2.343 3.323 . 0 0 "[ . 1 . 2]" 1
1048 1 91 HIS H 1 91 HIS HB2 3.140 . 3.140 2.410 2.322 2.535 . 0 0 "[ . 1 . 2]" 1
1049 1 91 HIS H 1 91 HIS HB3 3.190 . 3.190 2.593 2.462 2.698 . 0 0 "[ . 1 . 2]" 1
1050 1 91 HIS H 1 91 HIS HD2 5.160 . 5.160 5.051 4.846 5.180 0.020 4 0 "[ . 1 . 2]" 1
1051 1 91 HIS H 1 92 ALA HA 5.410 . 5.410 5.227 5.158 5.316 . 0 0 "[ . 1 . 2]" 1
1052 1 91 HIS H 1 92 ALA MB 4.440 . 4.440 4.379 4.277 4.456 0.016 3 0 "[ . 1 . 2]" 1
1053 1 91 HIS H 1 93 PHE H 4.230 . 4.230 3.904 3.829 3.964 . 0 0 "[ . 1 . 2]" 1
1054 1 91 HIS H 1 94 PHE QE 5.500 . 5.500 4.603 4.296 4.838 . 0 0 "[ . 1 . 2]" 1
1055 1 91 HIS HA 1 91 HIS HD2 4.160 . 4.160 3.511 2.769 4.083 . 0 0 "[ . 1 . 2]" 1
1056 1 91 HIS HA 1 93 PHE H 4.200 . 4.200 3.925 3.753 4.138 . 0 0 "[ . 1 . 2]" 1
1057 1 91 HIS HA 1 94 PHE QD 4.840 . 4.840 3.979 3.742 4.331 . 0 0 "[ . 1 . 2]" 1
1058 1 91 HIS HB2 1 92 ALA H 3.870 . 3.870 3.834 3.758 3.883 0.013 9 0 "[ . 1 . 2]" 1
1059 1 91 HIS HB3 1 91 HIS HD2 3.960 . 3.960 3.396 2.807 3.941 . 0 0 "[ . 1 . 2]" 1
1060 1 91 HIS HB3 1 92 ALA H 3.050 . 3.050 2.650 2.491 2.827 . 0 0 "[ . 1 . 2]" 1
1061 1 92 ALA H 1 92 ALA MB 2.590 . 2.590 2.285 2.265 2.309 . 0 0 "[ . 1 . 2]" 1
1062 1 92 ALA H 1 93 PHE H 3.040 . 3.040 2.620 2.505 2.697 . 0 0 "[ . 1 . 2]" 1
1063 1 92 ALA H 1 94 PHE H 5.290 . 5.290 4.815 4.649 5.043 . 0 0 "[ . 1 . 2]" 1
1064 1 92 ALA HA 1 94 PHE H 4.710 . 4.710 4.340 4.160 4.636 . 0 0 "[ . 1 . 2]" 1
1065 1 92 ALA HA 1 95 THR H 3.970 . 3.970 3.220 3.052 3.498 . 0 0 "[ . 1 . 2]" 1
1066 1 92 ALA HA 1 95 THR MG 4.460 . 4.460 3.678 3.410 3.925 . 0 0 "[ . 1 . 2]" 1
1067 1 92 ALA HA 1 96 GLN H 4.190 . 4.190 3.388 2.563 3.950 . 0 0 "[ . 1 . 2]" 1
1068 1 92 ALA MB 1 93 PHE H 3.180 . 3.180 3.043 2.744 3.192 0.012 19 0 "[ . 1 . 2]" 1
1069 1 92 ALA MB 1 94 PHE H 5.450 . 5.450 4.877 4.732 5.026 . 0 0 "[ . 1 . 2]" 1
1070 1 92 ALA MB 1 95 THR H 4.520 . 4.520 4.465 4.349 4.543 0.023 1 0 "[ . 1 . 2]" 1
1071 1 92 ALA MB 1 95 THR MG 4.570 . 4.570 4.366 3.779 4.595 0.025 15 0 "[ . 1 . 2]" 1
1072 1 92 ALA MB 1 96 GLN H 4.930 . 4.930 3.812 3.438 4.192 . 0 0 "[ . 1 . 2]" 1
1073 1 93 PHE H 1 93 PHE HA 2.920 . 2.920 2.788 2.749 2.828 . 0 0 "[ . 1 . 2]" 1
1074 1 93 PHE H 1 93 PHE HB2 2.810 . 2.810 2.427 2.346 2.518 . 0 0 "[ . 1 . 2]" 1
1075 1 93 PHE H 1 93 PHE QB 3.630 . 3.630 2.198 2.167 2.232 . 0 0 "[ . 1 . 2]" 1
1076 1 93 PHE H 1 93 PHE HB3 3.000 . 3.000 2.516 2.470 2.553 . 0 0 "[ . 1 . 2]" 1
1077 1 93 PHE H 1 93 PHE QD 4.210 . 4.210 4.174 4.144 4.203 . 0 0 "[ . 1 . 2]" 1
1078 1 93 PHE H 1 94 PHE H 3.170 . 3.170 2.802 2.637 2.982 . 0 0 "[ . 1 . 2]" 1
1079 1 93 PHE H 1 95 THR H 4.030 . 4.030 3.841 3.677 4.038 0.008 14 0 "[ . 1 . 2]" 1
1080 1 93 PHE HA 1 93 PHE QD 3.530 . 3.530 3.039 2.773 3.237 . 0 0 "[ . 1 . 2]" 1
1081 1 93 PHE HA 1 93 PHE QE 5.470 . 5.470 4.777 4.669 4.894 . 0 0 "[ . 1 . 2]" 1
1082 1 93 PHE HA 1 95 THR H 4.650 . 4.650 4.570 4.394 4.702 0.052 2 0 "[ . 1 . 2]" 1
1083 1 93 PHE HA 1 96 GLN H 4.430 . 4.430 4.268 3.950 4.456 0.026 11 0 "[ . 1 . 2]" 1
1084 1 93 PHE HB2 1 94 PHE H 3.880 . 3.880 3.712 3.629 3.778 . 0 0 "[ . 1 . 2]" 1
1085 1 93 PHE HB2 1 95 THR H 5.500 . 5.500 5.527 5.508 5.558 0.058 8 0 "[ . 1 . 2]" 1
1086 1 93 PHE HB3 1 94 PHE H 3.900 . 3.900 2.358 2.201 2.494 . 0 0 "[ . 1 . 2]" 1
1087 1 93 PHE HB3 1 94 PHE QE 4.810 . 4.810 4.295 4.047 4.620 . 0 0 "[ . 1 . 2]" 1
1088 1 93 PHE QD 1 94 PHE H 4.160 . 4.160 3.183 2.859 3.425 . 0 0 "[ . 1 . 2]" 1
1089 1 93 PHE QD 1 94 PHE HA 4.470 . 4.470 3.256 2.821 3.721 . 0 0 "[ . 1 . 2]" 1
1090 1 93 PHE QD 1 94 PHE QD 4.000 . 4.000 3.148 3.026 3.246 . 0 0 "[ . 1 . 2]" 1
1091 1 93 PHE QD 1 94 PHE QE 5.180 . 5.180 5.196 5.041 5.246 0.066 1 0 "[ . 1 . 2]" 1
1092 1 93 PHE QE 1 94 PHE HA 5.500 . 5.500 4.717 4.309 5.008 . 0 0 "[ . 1 . 2]" 1
1093 1 94 PHE H 1 94 PHE HB2 3.770 . 3.770 3.657 3.624 3.699 . 0 0 "[ . 1 . 2]" 1
1094 1 94 PHE H 1 94 PHE QB 3.020 . 3.020 2.844 2.743 2.965 . 0 0 "[ . 1 . 2]" 1
1095 1 94 PHE H 1 94 PHE HB3 3.770 . 3.770 2.966 2.839 3.121 . 0 0 "[ . 1 . 2]" 1
1096 1 94 PHE HA 1 94 PHE QD 3.720 . 3.720 3.719 3.697 3.738 0.018 2 0 "[ . 1 . 2]" 1
1097 1 94 PHE QB 1 95 THR H 3.810 . 3.810 3.597 3.559 3.668 . 0 0 "[ . 1 . 2]" 1
1098 1 94 PHE HB2 1 95 THR H 4.430 . 4.430 3.894 3.849 3.984 . 0 0 "[ . 1 . 2]" 1
1099 1 94 PHE HB3 1 95 THR H 4.430 . 4.430 4.229 4.177 4.291 . 0 0 "[ . 1 . 2]" 1
1100 1 94 PHE QD 1 95 THR H 3.130 . 3.130 3.126 3.002 3.174 0.044 9 0 "[ . 1 . 2]" 1
1101 1 94 PHE QD 1 95 THR MG 5.500 . 5.500 4.388 4.246 4.645 . 0 0 "[ . 1 . 2]" 1
1102 1 94 PHE QE 1 95 THR H 4.130 . 4.130 4.171 4.148 4.201 0.071 20 0 "[ . 1 . 2]" 1
1103 1 95 THR H 1 95 THR HB 3.660 . 3.660 2.563 2.506 2.629 . 0 0 "[ . 1 . 2]" 1
1104 1 95 THR H 1 95 THR MG 3.860 . 3.860 3.768 3.728 3.802 . 0 0 "[ . 1 . 2]" 1
1105 1 95 THR H 1 96 GLN H 3.080 . 3.080 2.634 2.533 2.771 . 0 0 "[ . 1 . 2]" 1
1106 1 95 THR H 1 96 GLN QB 4.760 . 4.760 4.546 4.357 4.764 0.004 9 0 "[ . 1 . 2]" 1
1107 1 95 THR HA 1 95 THR MG 3.240 . 3.240 2.375 2.340 2.434 . 0 0 "[ . 1 . 2]" 1
1108 1 95 THR HA 1 96 GLN H 3.540 . 3.540 3.541 3.485 3.565 0.025 19 0 "[ . 1 . 2]" 1
1109 1 95 THR HB 1 96 GLN H 4.340 . 4.340 2.749 2.390 3.079 . 0 0 "[ . 1 . 2]" 1
1110 1 95 THR MG 1 96 GLN H 4.350 . 4.350 3.644 3.375 3.913 . 0 0 "[ . 1 . 2]" 1
1111 1 95 THR MG 1 96 GLN HA 4.120 . 4.120 3.744 3.473 4.069 . 0 0 "[ . 1 . 2]" 1
1112 1 96 GLN H 1 96 GLN QB 3.050 . 3.050 2.341 2.212 2.506 . 0 0 "[ . 1 . 2]" 1
1113 1 96 GLN H 1 96 GLN QG 3.970 . 3.970 3.515 2.316 4.003 0.033 3 0 "[ . 1 . 2]" 1
1114 1 96 GLN H 1 97 PRO QD 4.810 . 4.810 4.202 3.607 4.442 . 0 0 "[ . 1 . 2]" 1
1115 1 96 GLN HA 1 96 GLN QG 3.740 . 3.740 2.561 2.386 3.105 . 0 0 "[ . 1 . 2]" 1
1116 1 96 GLN HA 1 97 PRO HD2 3.260 . 3.260 2.373 2.099 2.692 . 0 0 "[ . 1 . 2]" 1
1117 1 96 GLN HA 1 97 PRO QD 2.670 . 2.670 1.997 1.922 2.133 . 0 0 "[ . 1 . 2]" 1
1118 1 96 GLN HA 1 97 PRO HD3 3.260 . 3.260 2.209 1.985 2.497 . 0 0 "[ . 1 . 2]" 1
1119 1 96 GLN QG 1 97 PRO QD 3.550 . 3.550 2.957 2.017 3.573 0.023 5 0 "[ . 1 . 2]" 1
1120 1 97 PRO HA 1 98 ARG H 2.660 . 2.660 2.256 1.975 2.496 . 0 0 "[ . 1 . 2]" 1
1121 1 97 PRO QB 1 98 ARG H 3.370 . 3.370 2.744 2.239 3.251 . 0 0 "[ . 1 . 2]" 1
1122 1 97 PRO HB2 1 98 ARG H 3.950 . 3.950 3.038 2.276 3.957 0.007 19 0 "[ . 1 . 2]" 1
1123 1 97 PRO HB3 1 98 ARG H 3.950 . 3.950 3.424 2.682 3.804 . 0 0 "[ . 1 . 2]" 1
1124 1 97 PRO QG 1 98 ARG H 4.130 . 4.130 4.178 3.878 4.281 0.151 5 0 "[ . 1 . 2]" 1
1125 1 98 ARG H 1 98 ARG QB 3.370 . 3.370 2.639 2.378 3.128 . 0 0 "[ . 1 . 2]" 1
1126 1 98 ARG H 1 98 ARG QG 4.100 . 4.100 3.424 2.021 4.239 0.139 13 0 "[ . 1 . 2]" 1
1127 1 98 ARG HA 1 98 ARG QD 4.060 . 4.060 3.517 2.044 4.162 0.102 8 0 "[ . 1 . 2]" 1
1128 1 98 ARG HA 1 98 ARG QG 3.810 . 3.810 2.621 2.234 3.529 . 0 0 "[ . 1 . 2]" 1
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