NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
413164 |
2cka   |
15098 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cka
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 776
_Distance_constraint_stats_list.Viol_count 760
_Distance_constraint_stats_list.Viol_total 585.506
_Distance_constraint_stats_list.Viol_max 0.286
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0385
_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 38 LEU 0.247 0.074 17 0 "[ . 1 . 2]"
1 39 ASP 0.164 0.074 17 0 "[ . 1 . 2]"
1 40 VAL 2.165 0.181 14 0 "[ . 1 . 2]"
1 41 ASP 0.312 0.167 13 0 "[ . 1 . 2]"
1 42 LEU 2.231 0.167 13 0 "[ . 1 . 2]"
1 43 GLU 0.162 0.054 6 0 "[ . 1 . 2]"
1 44 THR 1.580 0.181 14 0 "[ . 1 . 2]"
1 45 ARG 0.670 0.077 10 0 "[ . 1 . 2]"
1 46 ILE 2.521 0.167 4 0 "[ . 1 . 2]"
1 47 PRO 0.584 0.086 15 0 "[ . 1 . 2]"
1 48 VAL 0.400 0.050 3 0 "[ . 1 . 2]"
1 49 ILE 1.146 0.212 16 0 "[ . 1 . 2]"
1 50 ASN 1.937 0.286 3 0 "[ . 1 . 2]"
1 51 LYS 1.629 0.212 16 0 "[ . 1 . 2]"
1 52 VAL 0.776 0.238 17 0 "[ . 1 . 2]"
1 53 ASP 1.739 0.286 3 0 "[ . 1 . 2]"
1 54 GLY 1.639 0.179 3 0 "[ . 1 . 2]"
1 55 THR 1.533 0.179 3 0 "[ . 1 . 2]"
1 56 LEU 0.890 0.118 15 0 "[ . 1 . 2]"
1 57 LEU 2.285 0.102 20 0 "[ . 1 . 2]"
1 58 VAL 0.385 0.118 15 0 "[ . 1 . 2]"
1 59 GLY 0.139 0.067 6 0 "[ . 1 . 2]"
1 60 GLU 1.780 0.151 14 0 "[ . 1 . 2]"
1 61 ASP 2.004 0.151 14 0 "[ . 1 . 2]"
1 62 ALA 1.267 0.102 20 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 2.064 0.154 10 0 "[ . 1 . 2]"
1 65 ARG 2.575 0.167 4 0 "[ . 1 . 2]"
1 66 ALA 0.402 0.108 20 0 "[ . 1 . 2]"
1 67 GLU 1.061 0.154 10 0 "[ . 1 . 2]"
1 68 LEU 0.653 0.130 5 0 "[ . 1 . 2]"
1 69 GLU 0.942 0.130 5 0 "[ . 1 . 2]"
1 70 MET 0.770 0.091 11 0 "[ . 1 . 2]"
1 71 TRP 0.765 0.057 14 0 "[ . 1 . 2]"
1 72 LEU 0.784 0.096 10 0 "[ . 1 . 2]"
1 73 GLN 1.658 0.128 17 0 "[ . 1 . 2]"
1 74 GLY 0.574 0.086 13 0 "[ . 1 . 2]"
1 75 HIS 1.313 0.147 17 0 "[ . 1 . 2]"
1 76 PRO 0.856 0.089 1 0 "[ . 1 . 2]"
1 77 GLU 1.024 0.147 17 0 "[ . 1 . 2]"
1 78 PHE 1.062 0.122 17 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.605 0.091 20 0 "[ . 1 . 2]"
1 81 ASP 0.474 0.049 20 0 "[ . 1 . 2]"
1 82 PRO 0.360 0.046 13 0 "[ . 1 . 2]"
1 83 ARG 0.223 0.079 2 0 "[ . 1 . 2]"
1 84 PHE 0.481 0.065 16 0 "[ . 1 . 2]"
1 85 LEU 1.356 0.158 4 0 "[ . 1 . 2]"
1 86 ALA 0.665 0.093 13 0 "[ . 1 . 2]"
1 87 TYR 1.059 0.100 20 0 "[ . 1 . 2]"
1 88 MET 0.060 0.028 4 0 "[ . 1 . 2]"
1 89 GLU 0.530 0.093 13 0 "[ . 1 . 2]"
1 90 ASP 0.151 0.089 14 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 38 LEU H 1 38 LEU MD1 4.920 . 4.920 3.458 2.020 4.601 . 0 0 "[ . 1 . 2]" 1
2 1 38 LEU H 1 38 LEU MD2 4.920 . 4.920 3.309 1.723 4.691 . 0 0 "[ . 1 . 2]" 1
3 1 38 LEU H 1 38 LEU HG 4.490 . 4.490 3.249 2.087 4.541 0.051 7 0 "[ . 1 . 2]" 1
4 1 38 LEU H 1 39 ASP H 5.050 . 5.050 3.309 1.899 4.531 . 0 0 "[ . 1 . 2]" 1
5 1 38 LEU HA 1 38 LEU QD 3.660 . 3.660 2.342 1.950 3.417 . 0 0 "[ . 1 . 2]" 1
6 1 38 LEU QD 1 39 ASP H 4.210 . 4.210 3.826 3.166 4.284 0.074 17 0 "[ . 1 . 2]" 1
7 1 39 ASP H 1 40 VAL H 5.360 . 5.360 3.458 2.024 4.575 . 0 0 "[ . 1 . 2]" 1
8 1 39 ASP QB 1 40 VAL H 4.690 . 4.690 2.837 1.813 3.774 . 0 0 "[ . 1 . 2]" 1
9 1 40 VAL H 1 40 VAL QG 3.860 . 3.860 2.165 1.791 2.879 . 0 0 "[ . 1 . 2]" 1
10 1 40 VAL HA 1 40 VAL MG1 3.650 . 3.650 2.565 2.305 3.240 . 0 0 "[ . 1 . 2]" 1
11 1 40 VAL HA 1 40 VAL MG2 3.650 . 3.650 2.761 2.295 3.227 . 0 0 "[ . 1 . 2]" 1
12 1 40 VAL HA 1 42 LEU H 4.330 . 4.330 4.147 3.530 4.415 0.085 20 0 "[ . 1 . 2]" 1
13 1 40 VAL HA 1 44 THR MG 5.050 . 5.050 3.721 2.300 4.935 . 0 0 "[ . 1 . 2]" 1
14 1 40 VAL HB 1 42 LEU H 4.580 . 4.580 3.667 2.790 4.675 0.095 15 0 "[ . 1 . 2]" 1
15 1 40 VAL HB 1 44 THR MG 4.380 . 4.380 3.555 2.158 4.561 0.181 14 0 "[ . 1 . 2]" 1
16 1 40 VAL QG 1 42 LEU H 3.890 . 3.890 2.022 1.732 2.600 . 0 0 "[ . 1 . 2]" 1
17 1 40 VAL QG 1 42 LEU HA 3.540 . 3.540 2.835 2.351 3.281 . 0 0 "[ . 1 . 2]" 1
18 1 40 VAL QG 1 43 GLU H 4.600 . 4.600 3.884 2.232 4.654 0.054 6 0 "[ . 1 . 2]" 1
19 1 40 VAL QG 1 44 THR HB 3.630 . 3.630 2.361 1.618 3.667 0.037 10 0 "[ . 1 . 2]" 1
20 1 40 VAL QG 1 44 THR MG 3.320 . 3.320 2.149 1.643 2.886 . 0 0 "[ . 1 . 2]" 1
21 1 40 VAL QG 1 46 ILE MD 3.060 . 3.060 2.084 1.845 2.506 . 0 0 "[ . 1 . 2]" 1
22 1 40 VAL QG 1 46 ILE HG12 4.170 . 4.170 3.520 2.915 4.204 0.034 3 0 "[ . 1 . 2]" 1
23 1 40 VAL QG 1 65 ARG HA 4.930 . 4.930 4.417 4.105 4.741 . 0 0 "[ . 1 . 2]" 1
24 1 40 VAL QG 1 65 ARG QB 3.970 . 3.970 2.446 2.070 3.043 . 0 0 "[ . 1 . 2]" 1
25 1 40 VAL QG 1 65 ARG QG 4.130 . 4.130 2.163 1.784 3.361 . 0 0 "[ . 1 . 2]" 1
26 1 40 VAL QG 1 84 PHE QD 5.310 . 5.310 4.819 4.172 5.315 0.005 7 0 "[ . 1 . 2]" 1
27 1 40 VAL QG 1 84 PHE QE 5.150 . 5.150 3.147 2.331 3.680 . 0 0 "[ . 1 . 2]" 1
28 1 40 VAL MG1 1 42 LEU H 4.470 . 4.470 3.344 1.738 4.519 0.049 19 0 "[ . 1 . 2]" 1
29 1 40 VAL MG1 1 44 THR HB 4.410 . 4.410 2.889 1.780 4.495 0.085 1 0 "[ . 1 . 2]" 1
30 1 40 VAL MG1 1 44 THR MG 4.290 . 4.290 2.541 1.766 4.324 0.034 2 0 "[ . 1 . 2]" 1
31 1 40 VAL MG1 1 46 ILE MD 4.200 . 4.200 2.425 1.900 3.650 . 0 0 "[ . 1 . 2]" 1
32 1 40 VAL MG1 1 46 ILE HG12 5.150 . 5.150 4.116 2.952 5.208 0.058 2 0 "[ . 1 . 2]" 1
33 1 40 VAL MG1 1 65 ARG QB 5.480 . 5.480 3.273 2.081 4.534 . 0 0 "[ . 1 . 2]" 1
34 1 40 VAL MG1 1 65 ARG QG 5.500 . 5.500 3.069 1.840 4.215 . 0 0 "[ . 1 . 2]" 1
35 1 40 VAL MG2 1 42 LEU H 4.470 . 4.470 3.028 1.743 4.608 0.138 13 0 "[ . 1 . 2]" 1
36 1 40 VAL MG2 1 44 THR HB 4.410 . 4.410 3.013 1.808 4.422 0.012 7 0 "[ . 1 . 2]" 1
37 1 40 VAL MG2 1 44 THR MG 4.290 . 4.290 2.826 1.826 4.358 0.068 18 0 "[ . 1 . 2]" 1
38 1 40 VAL MG2 1 46 ILE MD 4.200 . 4.200 2.520 1.921 3.730 . 0 0 "[ . 1 . 2]" 1
39 1 40 VAL MG2 1 46 ILE HG12 5.150 . 5.150 4.236 3.253 5.194 0.044 20 0 "[ . 1 . 2]" 1
40 1 40 VAL MG2 1 65 ARG QB 5.480 . 5.480 3.226 2.215 4.565 . 0 0 "[ . 1 . 2]" 1
41 1 40 VAL MG2 1 65 ARG QG 5.500 . 5.500 2.909 1.809 5.213 . 0 0 "[ . 1 . 2]" 1
42 1 41 ASP HA 1 42 LEU H 3.180 . 3.180 2.965 2.563 3.347 0.167 13 0 "[ . 1 . 2]" 1
43 1 41 ASP QB 1 42 LEU H 4.380 . 4.380 3.609 2.212 4.004 . 0 0 "[ . 1 . 2]" 1
44 1 41 ASP QB 1 43 GLU H 4.330 . 4.330 3.369 2.783 4.079 . 0 0 "[ . 1 . 2]" 1
45 1 42 LEU H 1 42 LEU HB2 4.120 . 4.120 3.660 3.524 4.152 0.032 13 0 "[ . 1 . 2]" 1
46 1 42 LEU H 1 42 LEU HB3 4.120 . 4.120 4.063 3.710 4.126 0.006 19 0 "[ . 1 . 2]" 1
47 1 42 LEU H 1 42 LEU MD1 4.450 . 4.450 4.371 3.282 4.513 0.063 4 0 "[ . 1 . 2]" 1
48 1 42 LEU H 1 42 LEU QD 3.910 . 3.910 3.000 2.695 3.400 . 0 0 "[ . 1 . 2]" 1
49 1 42 LEU H 1 42 LEU MD2 4.450 . 4.450 3.153 2.716 4.477 0.027 13 0 "[ . 1 . 2]" 1
50 1 42 LEU H 1 42 LEU HG 3.870 . 3.870 3.075 2.886 3.154 . 0 0 "[ . 1 . 2]" 1
51 1 42 LEU HA 1 42 LEU MD1 4.180 . 4.180 3.817 3.622 3.874 . 0 0 "[ . 1 . 2]" 1
52 1 42 LEU HA 1 42 LEU QD 3.370 . 3.370 2.179 1.993 3.404 0.034 13 0 "[ . 1 . 2]" 1
53 1 42 LEU HA 1 42 LEU MD2 4.180 . 4.180 2.249 2.000 4.020 . 0 0 "[ . 1 . 2]" 1
54 1 42 LEU HA 1 43 GLU HA 4.640 . 4.640 4.584 4.387 4.682 0.042 10 0 "[ . 1 . 2]" 1
55 1 42 LEU HA 1 65 ARG H 5.340 . 5.340 4.322 3.913 5.373 0.033 20 0 "[ . 1 . 2]" 1
56 1 42 LEU HA 1 65 ARG QB 3.410 . 3.410 2.084 1.792 2.653 . 0 0 "[ . 1 . 2]" 1
57 1 42 LEU HA 1 65 ARG QG 4.660 . 4.660 2.559 2.010 3.659 . 0 0 "[ . 1 . 2]" 1
58 1 42 LEU HA 1 66 ALA H 3.950 . 3.950 3.430 2.753 4.058 0.108 20 0 "[ . 1 . 2]" 1
59 1 42 LEU HA 1 66 ALA HA 4.400 . 4.400 4.164 3.251 4.419 0.019 3 0 "[ . 1 . 2]" 1
60 1 42 LEU HA 1 66 ALA MB 4.260 . 4.260 3.777 3.215 4.102 . 0 0 "[ . 1 . 2]" 1
61 1 42 LEU QB 1 42 LEU QD 2.690 . 2.690 1.935 1.895 1.957 . 0 0 "[ . 1 . 2]" 1
62 1 42 LEU QB 1 43 GLU H 4.790 . 4.790 3.137 2.528 3.861 . 0 0 "[ . 1 . 2]" 1
63 1 42 LEU QB 1 66 ALA H 3.890 . 3.890 3.239 2.625 3.874 . 0 0 "[ . 1 . 2]" 1
64 1 42 LEU QB 1 66 ALA MB 3.650 . 3.650 2.108 1.889 2.715 . 0 0 "[ . 1 . 2]" 1
65 1 42 LEU QD 1 66 ALA H 4.090 . 4.090 3.690 3.276 4.155 0.065 15 0 "[ . 1 . 2]" 1
66 1 42 LEU QD 1 66 ALA HA 3.320 . 3.320 2.618 1.948 3.352 0.032 13 0 "[ . 1 . 2]" 1
67 1 42 LEU QD 1 66 ALA MB 3.090 . 3.090 2.757 2.050 3.098 0.008 8 0 "[ . 1 . 2]" 1
68 1 42 LEU MD1 1 66 ALA HA 4.520 . 4.520 3.656 2.385 4.530 0.010 8 0 "[ . 1 . 2]" 1
69 1 42 LEU MD1 1 66 ALA MB 3.790 . 3.790 3.094 2.077 3.587 . 0 0 "[ . 1 . 2]" 1
70 1 42 LEU MD2 1 66 ALA HA 4.520 . 4.520 2.732 1.958 3.688 . 0 0 "[ . 1 . 2]" 1
71 1 42 LEU MD2 1 66 ALA MB 3.790 . 3.790 3.204 2.464 3.678 . 0 0 "[ . 1 . 2]" 1
72 1 43 GLU H 1 43 GLU QB 3.520 . 3.520 2.570 2.285 2.971 . 0 0 "[ . 1 . 2]" 1
73 1 43 GLU H 1 43 GLU QG 3.530 . 3.530 2.366 1.937 3.536 0.006 9 0 "[ . 1 . 2]" 1
74 1 43 GLU H 1 44 THR H 3.750 . 3.750 2.415 1.921 3.098 . 0 0 "[ . 1 . 2]" 1
75 1 43 GLU HA 1 43 GLU QG 3.520 . 3.520 2.855 2.239 3.519 . 0 0 "[ . 1 . 2]" 1
76 1 44 THR H 1 44 THR HB 4.000 . 4.000 2.535 2.129 3.212 . 0 0 "[ . 1 . 2]" 1
77 1 44 THR H 1 44 THR MG 4.570 . 4.570 3.317 2.124 3.765 . 0 0 "[ . 1 . 2]" 1
78 1 44 THR HA 1 44 THR MG 3.270 . 3.270 2.610 2.185 3.217 . 0 0 "[ . 1 . 2]" 1
79 1 44 THR HA 1 45 ARG H 3.080 . 3.080 2.257 2.078 2.565 . 0 0 "[ . 1 . 2]" 1
80 1 44 THR HA 1 65 ARG QB 5.090 . 5.090 4.954 4.585 5.190 0.100 5 0 "[ . 1 . 2]" 1
81 1 44 THR HB 1 45 ARG H 4.420 . 4.420 3.981 3.524 4.294 . 0 0 "[ . 1 . 2]" 1
82 1 44 THR HB 1 46 ILE MD 4.600 . 4.600 3.631 2.490 4.629 0.029 17 0 "[ . 1 . 2]" 1
83 1 44 THR MG 1 45 ARG H 3.480 . 3.480 2.774 2.199 3.369 . 0 0 "[ . 1 . 2]" 1
84 1 44 THR MG 1 45 ARG HA 5.220 . 5.220 4.078 3.665 4.593 . 0 0 "[ . 1 . 2]" 1
85 1 44 THR MG 1 46 ILE MD 3.360 . 3.360 2.654 2.071 3.371 0.011 9 0 "[ . 1 . 2]" 1
86 1 44 THR MG 1 84 PHE HZ 4.450 . 4.450 3.474 2.116 4.486 0.036 13 0 "[ . 1 . 2]" 1
87 1 45 ARG H 1 45 ARG QB 3.910 . 3.910 2.480 2.284 3.025 . 0 0 "[ . 1 . 2]" 1
88 1 45 ARG H 1 45 ARG HG2 4.220 . 4.220 3.291 2.161 4.172 . 0 0 "[ . 1 . 2]" 1
89 1 45 ARG H 1 45 ARG QG 3.610 . 3.610 2.840 2.145 3.618 0.008 2 0 "[ . 1 . 2]" 1
90 1 45 ARG H 1 45 ARG HG3 4.220 . 4.220 3.538 2.499 3.969 . 0 0 "[ . 1 . 2]" 1
91 1 45 ARG HA 1 45 ARG QD 3.810 . 3.810 2.992 1.965 3.887 0.077 10 0 "[ . 1 . 2]" 1
92 1 45 ARG HA 1 45 ARG HG2 4.200 . 4.200 3.306 2.414 3.846 . 0 0 "[ . 1 . 2]" 1
93 1 45 ARG HA 1 45 ARG HG3 4.200 . 4.200 3.298 2.443 4.252 0.052 6 0 "[ . 1 . 2]" 1
94 1 45 ARG HA 1 46 ILE H 3.450 . 3.450 2.144 2.036 2.280 . 0 0 "[ . 1 . 2]" 1
95 1 45 ARG HA 1 46 ILE HG12 4.340 . 4.340 3.864 3.249 4.291 . 0 0 "[ . 1 . 2]" 1
96 1 45 ARG QB 1 59 GLY H 4.550 . 4.550 3.994 3.033 4.617 0.067 6 0 "[ . 1 . 2]" 1
97 1 45 ARG QB 1 62 ALA H 4.230 . 4.230 3.903 3.481 4.283 0.053 14 0 "[ . 1 . 2]" 1
98 1 45 ARG QB 1 62 ALA MB 3.610 . 3.610 2.311 1.997 2.794 . 0 0 "[ . 1 . 2]" 1
99 1 45 ARG QD 1 46 ILE H 5.500 . 5.500 4.692 3.704 5.413 . 0 0 "[ . 1 . 2]" 1
100 1 46 ILE H 1 46 ILE HB 3.950 . 3.950 2.489 2.421 2.598 . 0 0 "[ . 1 . 2]" 1
101 1 46 ILE H 1 46 ILE HG12 4.200 . 4.200 2.344 2.129 2.630 . 0 0 "[ . 1 . 2]" 1
102 1 46 ILE H 1 46 ILE QG 4.060 . 4.060 2.322 2.115 2.594 . 0 0 "[ . 1 . 2]" 1
103 1 46 ILE H 1 46 ILE MG 4.340 . 4.340 3.782 3.752 3.821 . 0 0 "[ . 1 . 2]" 1
104 1 46 ILE H 1 62 ALA MB 4.540 . 4.540 3.761 3.128 4.149 . 0 0 "[ . 1 . 2]" 1
105 1 46 ILE H 1 65 ARG QD 5.500 . 5.500 4.745 4.118 5.667 0.167 4 0 "[ . 1 . 2]" 1
106 1 46 ILE H 1 65 ARG QG 5.500 . 5.500 5.433 3.984 5.657 0.157 6 0 "[ . 1 . 2]" 1
107 1 46 ILE H 1 68 LEU QD 4.710 . 4.710 3.962 3.136 4.646 . 0 0 "[ . 1 . 2]" 1
108 1 46 ILE HA 1 46 ILE MD 3.220 . 3.220 2.071 1.988 2.197 . 0 0 "[ . 1 . 2]" 1
109 1 46 ILE HA 1 46 ILE MG 3.510 . 3.510 2.446 2.363 2.490 . 0 0 "[ . 1 . 2]" 1
110 1 46 ILE HA 1 47 PRO HD2 3.690 . 3.690 2.215 1.992 2.570 . 0 0 "[ . 1 . 2]" 1
111 1 46 ILE HA 1 47 PRO QD 3.090 . 3.090 1.933 1.886 1.980 . 0 0 "[ . 1 . 2]" 1
112 1 46 ILE HA 1 47 PRO HD3 3.690 . 3.690 2.264 1.950 2.534 . 0 0 "[ . 1 . 2]" 1
113 1 46 ILE HB 1 46 ILE MD 3.730 . 3.730 3.244 3.233 3.258 . 0 0 "[ . 1 . 2]" 1
114 1 46 ILE HB 1 68 LEU QD 3.650 . 3.650 2.590 1.934 3.123 . 0 0 "[ . 1 . 2]" 1
115 1 46 ILE MD 1 47 PRO HD2 4.210 . 4.210 3.255 2.998 3.766 . 0 0 "[ . 1 . 2]" 1
116 1 46 ILE MD 1 47 PRO HD3 4.210 . 4.210 3.670 3.200 4.126 . 0 0 "[ . 1 . 2]" 1
117 1 46 ILE MD 1 65 ARG HA 4.840 . 4.840 4.108 3.462 4.758 . 0 0 "[ . 1 . 2]" 1
118 1 46 ILE MD 1 65 ARG QB 4.120 . 4.120 2.744 2.211 3.676 . 0 0 "[ . 1 . 2]" 1
119 1 46 ILE MD 1 65 ARG QD 5.500 . 5.500 2.791 2.018 4.444 . 0 0 "[ . 1 . 2]" 1
120 1 46 ILE MD 1 65 ARG QG 4.250 . 4.250 3.268 2.000 4.270 0.020 20 0 "[ . 1 . 2]" 1
121 1 46 ILE MD 1 68 LEU QB 4.970 . 4.970 4.713 3.999 5.021 0.051 4 0 "[ . 1 . 2]" 1
122 1 46 ILE MD 1 84 PHE HB2 5.500 . 5.500 5.430 5.173 5.565 0.065 16 0 "[ . 1 . 2]" 1
123 1 46 ILE MD 1 84 PHE QD 4.340 . 4.340 3.587 3.022 3.976 . 0 0 "[ . 1 . 2]" 1
124 1 46 ILE MD 1 84 PHE QE 3.890 . 3.890 2.397 2.035 2.709 . 0 0 "[ . 1 . 2]" 1
125 1 46 ILE MD 1 84 PHE HZ 4.120 . 4.120 2.732 2.139 3.355 . 0 0 "[ . 1 . 2]" 1
126 1 46 ILE HG12 1 46 ILE MG 3.690 . 3.690 3.205 3.193 3.226 . 0 0 "[ . 1 . 2]" 1
127 1 46 ILE HG12 1 65 ARG HA 3.790 . 3.790 2.794 2.178 3.337 . 0 0 "[ . 1 . 2]" 1
128 1 46 ILE HG12 1 68 LEU QD 4.850 . 4.850 3.786 2.887 4.206 . 0 0 "[ . 1 . 2]" 1
129 1 46 ILE MG 1 47 PRO HD2 3.890 . 3.890 2.513 2.212 2.871 . 0 0 "[ . 1 . 2]" 1
130 1 46 ILE MG 1 47 PRO HD3 3.890 . 3.890 3.655 3.330 3.896 0.006 15 0 "[ . 1 . 2]" 1
131 1 46 ILE MG 1 47 PRO QG 4.950 . 4.950 3.734 3.251 4.361 . 0 0 "[ . 1 . 2]" 1
132 1 46 ILE MG 1 68 LEU QD 3.300 . 3.300 2.669 2.205 3.094 . 0 0 "[ . 1 . 2]" 1
133 1 46 ILE MG 1 80 VAL HA 4.230 . 4.230 3.265 2.933 3.742 . 0 0 "[ . 1 . 2]" 1
134 1 46 ILE MG 1 80 VAL HB 4.600 . 4.600 3.379 2.681 4.563 . 0 0 "[ . 1 . 2]" 1
135 1 46 ILE MG 1 80 VAL MG1 4.290 . 4.290 3.544 2.010 4.309 0.019 7 0 "[ . 1 . 2]" 1
136 1 46 ILE MG 1 80 VAL QG 3.190 . 3.190 2.081 1.909 2.347 . 0 0 "[ . 1 . 2]" 1
137 1 46 ILE MG 1 80 VAL MG2 4.290 . 4.290 2.415 1.916 4.268 . 0 0 "[ . 1 . 2]" 1
138 1 46 ILE MG 1 81 ASP H 4.610 . 4.610 3.544 3.286 3.856 . 0 0 "[ . 1 . 2]" 1
139 1 46 ILE MG 1 84 PHE QD 4.320 . 4.320 3.247 2.721 3.662 . 0 0 "[ . 1 . 2]" 1
140 1 46 ILE MG 1 84 PHE QE 4.250 . 4.250 3.315 2.716 3.840 . 0 0 "[ . 1 . 2]" 1
141 1 47 PRO HA 1 48 VAL H 3.070 . 3.070 2.108 2.060 2.145 . 0 0 "[ . 1 . 2]" 1
142 1 47 PRO HA 1 48 VAL MG1 4.090 . 4.090 3.863 3.711 4.006 . 0 0 "[ . 1 . 2]" 1
143 1 47 PRO HA 1 48 VAL MG2 4.110 . 4.110 3.581 3.484 3.729 . 0 0 "[ . 1 . 2]" 1
144 1 47 PRO HA 1 57 LEU H 4.580 . 4.580 4.460 4.117 4.600 0.020 6 0 "[ . 1 . 2]" 1
145 1 47 PRO HA 1 58 VAL HA 3.840 . 3.840 2.994 2.698 3.279 . 0 0 "[ . 1 . 2]" 1
146 1 47 PRO HA 1 58 VAL MG1 3.730 . 3.730 3.458 2.897 3.746 0.016 19 0 "[ . 1 . 2]" 1
147 1 47 PRO HA 1 62 ALA MB 3.720 . 3.720 2.401 2.001 2.887 . 0 0 "[ . 1 . 2]" 1
148 1 47 PRO QB 1 48 VAL H 3.790 . 3.790 3.283 3.068 3.476 . 0 0 "[ . 1 . 2]" 1
149 1 47 PRO QB 1 81 ASP H 4.350 . 4.350 3.672 3.326 4.023 . 0 0 "[ . 1 . 2]" 1
150 1 47 PRO HB2 1 48 VAL H 4.300 . 4.300 3.599 3.287 3.938 . 0 0 "[ . 1 . 2]" 1
151 1 47 PRO HB2 1 56 LEU MD1 4.590 . 4.590 2.787 2.157 3.997 . 0 0 "[ . 1 . 2]" 1
152 1 47 PRO HB2 1 56 LEU QD 3.430 . 3.430 2.679 2.140 2.996 . 0 0 "[ . 1 . 2]" 1
153 1 47 PRO HB2 1 56 LEU MD2 4.590 . 4.590 4.126 2.489 4.591 0.001 19 0 "[ . 1 . 2]" 1
154 1 47 PRO HB2 1 56 LEU HG 4.870 . 4.870 4.479 3.914 4.956 0.086 15 0 "[ . 1 . 2]" 1
155 1 47 PRO HB2 1 58 VAL MG1 3.950 . 3.950 3.070 2.480 3.950 0.000 17 0 "[ . 1 . 2]" 1
156 1 47 PRO HB2 1 81 ASP HA 5.330 . 5.330 4.720 4.477 4.904 . 0 0 "[ . 1 . 2]" 1
157 1 47 PRO HB2 1 84 PHE HB2 4.840 . 4.840 3.846 3.275 4.343 . 0 0 "[ . 1 . 2]" 1
158 1 47 PRO HB3 1 48 VAL H 4.300 . 4.300 3.820 3.409 4.047 . 0 0 "[ . 1 . 2]" 1
159 1 47 PRO HB3 1 58 VAL HA 4.510 . 4.510 2.949 2.404 3.834 . 0 0 "[ . 1 . 2]" 1
160 1 47 PRO HB3 1 58 VAL MG1 3.640 . 3.640 2.057 1.924 2.430 . 0 0 "[ . 1 . 2]" 1
161 1 47 PRO HB3 1 81 ASP HB2 4.170 . 4.170 4.036 3.622 4.193 0.023 5 0 "[ . 1 . 2]" 1
162 1 47 PRO HB3 1 81 ASP HB3 5.130 . 5.130 4.122 3.876 4.585 . 0 0 "[ . 1 . 2]" 1
163 1 47 PRO HB3 1 84 PHE HB2 4.930 . 4.930 4.671 4.471 4.955 0.025 9 0 "[ . 1 . 2]" 1
164 1 47 PRO QD 1 84 PHE QD 4.120 . 4.120 3.133 2.823 3.518 . 0 0 "[ . 1 . 2]" 1
165 1 47 PRO QG 1 58 VAL MG1 3.900 . 3.900 3.288 2.739 3.748 . 0 0 "[ . 1 . 2]" 1
166 1 47 PRO QG 1 81 ASP H 4.540 . 4.540 3.975 3.343 4.589 0.049 20 0 "[ . 1 . 2]" 1
167 1 47 PRO QG 1 81 ASP HB2 4.460 . 4.460 3.562 2.675 4.366 . 0 0 "[ . 1 . 2]" 1
168 1 47 PRO QG 1 81 ASP HB3 4.150 . 4.150 2.534 2.040 3.237 . 0 0 "[ . 1 . 2]" 1
169 1 47 PRO QG 1 84 PHE H 4.910 . 4.910 4.058 3.705 4.566 . 0 0 "[ . 1 . 2]" 1
170 1 47 PRO QG 1 84 PHE QD 4.150 . 4.150 2.965 2.633 3.282 . 0 0 "[ . 1 . 2]" 1
171 1 48 VAL H 1 48 VAL MG1 4.010 . 4.010 3.009 2.908 3.124 . 0 0 "[ . 1 . 2]" 1
172 1 48 VAL H 1 48 VAL MG2 3.310 . 3.310 2.139 1.999 2.276 . 0 0 "[ . 1 . 2]" 1
173 1 48 VAL H 1 56 LEU HA 5.260 . 5.260 4.717 4.247 4.895 . 0 0 "[ . 1 . 2]" 1
174 1 48 VAL H 1 56 LEU QD 3.960 . 3.960 3.380 3.055 3.535 . 0 0 "[ . 1 . 2]" 1
175 1 48 VAL H 1 57 LEU H 4.070 . 4.070 3.063 2.833 3.213 . 0 0 "[ . 1 . 2]" 1
176 1 48 VAL H 1 57 LEU HA 5.500 . 5.500 4.843 4.734 5.022 . 0 0 "[ . 1 . 2]" 1
177 1 48 VAL H 1 57 LEU HB2 4.360 . 4.360 2.746 2.559 2.959 . 0 0 "[ . 1 . 2]" 1
178 1 48 VAL H 1 58 VAL MG1 4.470 . 4.470 4.284 4.084 4.488 0.018 17 0 "[ . 1 . 2]" 1
179 1 48 VAL H 1 62 ALA MB 4.110 . 4.110 3.069 2.827 3.375 . 0 0 "[ . 1 . 2]" 1
180 1 48 VAL HA 1 48 VAL MG1 3.350 . 3.350 2.316 2.264 2.362 . 0 0 "[ . 1 . 2]" 1
181 1 48 VAL HA 1 49 ILE H 3.360 . 3.360 2.221 2.101 2.330 . 0 0 "[ . 1 . 2]" 1
182 1 48 VAL HA 1 49 ILE MG 4.160 . 4.160 3.550 3.418 3.778 . 0 0 "[ . 1 . 2]" 1
183 1 48 VAL HA 1 80 VAL HA 3.610 . 3.610 2.535 2.080 2.791 . 0 0 "[ . 1 . 2]" 1
184 1 48 VAL HA 1 81 ASP H 3.740 . 3.740 2.639 2.394 2.914 . 0 0 "[ . 1 . 2]" 1
185 1 48 VAL HB 1 49 ILE H 3.840 . 3.840 2.655 2.347 2.895 . 0 0 "[ . 1 . 2]" 1
186 1 48 VAL HB 1 49 ILE MG 5.010 . 5.010 4.493 4.273 4.683 . 0 0 "[ . 1 . 2]" 1
187 1 48 VAL HB 1 78 PHE QD 3.710 . 3.710 2.814 2.493 3.024 . 0 0 "[ . 1 . 2]" 1
188 1 48 VAL HB 1 79 ALA H 4.440 . 4.440 3.423 3.041 3.830 . 0 0 "[ . 1 . 2]" 1
189 1 48 VAL MG1 1 49 ILE H 3.890 . 3.890 3.603 3.535 3.673 . 0 0 "[ . 1 . 2]" 1
190 1 48 VAL MG1 1 63 PRO QD 4.310 . 4.310 2.934 2.324 4.019 . 0 0 "[ . 1 . 2]" 1
191 1 48 VAL MG1 1 63 PRO QG 5.020 . 5.020 3.300 2.363 4.901 . 0 0 "[ . 1 . 2]" 1
192 1 48 VAL MG1 1 68 LEU QD 4.310 . 4.310 2.001 1.772 2.322 . 0 0 "[ . 1 . 2]" 1
193 1 48 VAL MG1 1 71 TRP HE3 4.330 . 4.330 3.432 2.948 3.984 . 0 0 "[ . 1 . 2]" 1
194 1 48 VAL MG1 1 71 TRP HZ3 4.070 . 4.070 2.570 2.029 3.161 . 0 0 "[ . 1 . 2]" 1
195 1 48 VAL MG1 1 72 LEU MD2 3.220 . 3.220 2.477 1.949 3.242 0.022 17 0 "[ . 1 . 2]" 1
196 1 48 VAL MG1 1 78 PHE HB3 4.910 . 4.910 3.437 3.173 3.887 . 0 0 "[ . 1 . 2]" 1
197 1 48 VAL MG1 1 78 PHE QD 4.240 . 4.240 4.210 3.976 4.290 0.050 3 0 "[ . 1 . 2]" 1
198 1 48 VAL MG1 1 79 ALA H 4.540 . 4.540 4.309 4.012 4.536 . 0 0 "[ . 1 . 2]" 1
199 1 48 VAL MG1 1 80 VAL HA 3.410 . 3.410 2.390 2.112 2.673 . 0 0 "[ . 1 . 2]" 1
200 1 48 VAL MG1 1 81 ASP H 4.610 . 4.610 3.683 3.362 3.942 . 0 0 "[ . 1 . 2]" 1
201 1 48 VAL MG2 1 49 ILE H 4.310 . 4.310 3.715 3.425 3.879 . 0 0 "[ . 1 . 2]" 1
202 1 48 VAL MG2 1 56 LEU QD 4.600 . 4.600 4.120 3.968 4.251 . 0 0 "[ . 1 . 2]" 1
203 1 48 VAL MG2 1 57 LEU H 3.810 . 3.810 3.189 2.912 3.548 . 0 0 "[ . 1 . 2]" 1
204 1 48 VAL MG2 1 57 LEU HB2 3.290 . 3.290 2.135 1.918 2.337 . 0 0 "[ . 1 . 2]" 1
205 1 48 VAL MG2 1 57 LEU HB3 3.740 . 3.740 3.411 3.193 3.595 . 0 0 "[ . 1 . 2]" 1
206 1 48 VAL MG2 1 57 LEU QD 4.850 . 4.850 2.128 1.954 2.316 . 0 0 "[ . 1 . 2]" 1
207 1 48 VAL MG2 1 62 ALA HA 4.190 . 4.190 3.123 2.609 3.744 . 0 0 "[ . 1 . 2]" 1
208 1 48 VAL MG2 1 62 ALA MB 3.500 . 3.500 3.071 2.730 3.516 0.016 20 0 "[ . 1 . 2]" 1
209 1 48 VAL MG2 1 63 PRO HD2 4.100 . 4.100 2.651 2.201 3.320 . 0 0 "[ . 1 . 2]" 1
210 1 48 VAL MG2 1 63 PRO QD 3.370 . 3.370 2.352 2.078 3.022 . 0 0 "[ . 1 . 2]" 1
211 1 48 VAL MG2 1 63 PRO HD3 4.100 . 4.100 2.700 2.164 3.609 . 0 0 "[ . 1 . 2]" 1
212 1 48 VAL MG2 1 71 TRP HH2 3.500 . 3.500 2.561 2.102 3.063 . 0 0 "[ . 1 . 2]" 1
213 1 48 VAL MG2 1 71 TRP HZ2 4.470 . 4.470 4.222 3.722 4.505 0.035 19 0 "[ . 1 . 2]" 1
214 1 48 VAL MG2 1 71 TRP HZ3 4.080 . 4.080 2.290 1.989 3.436 . 0 0 "[ . 1 . 2]" 1
215 1 48 VAL MG2 1 78 PHE HB3 4.600 . 4.600 3.096 2.770 3.491 . 0 0 "[ . 1 . 2]" 1
216 1 48 VAL MG2 1 78 PHE QD 3.720 . 3.720 2.458 2.183 2.709 . 0 0 "[ . 1 . 2]" 1
217 1 48 VAL MG2 1 78 PHE QE 4.200 . 4.200 3.435 3.120 3.678 . 0 0 "[ . 1 . 2]" 1
218 1 49 ILE H 1 49 ILE HB 4.180 . 4.180 3.173 2.927 3.281 . 0 0 "[ . 1 . 2]" 1
219 1 49 ILE H 1 49 ILE HG12 4.700 . 4.700 4.474 4.425 4.556 . 0 0 "[ . 1 . 2]" 1
220 1 49 ILE H 1 49 ILE MG 3.390 . 3.390 2.209 2.093 2.358 . 0 0 "[ . 1 . 2]" 1
221 1 49 ILE H 1 78 PHE HA 4.830 . 4.830 4.214 3.887 4.404 . 0 0 "[ . 1 . 2]" 1
222 1 49 ILE H 1 78 PHE QB 4.980 . 4.980 3.673 3.257 4.046 . 0 0 "[ . 1 . 2]" 1
223 1 49 ILE H 1 78 PHE HB3 4.340 . 4.340 3.735 3.300 4.129 . 0 0 "[ . 1 . 2]" 1
224 1 49 ILE H 1 78 PHE QD 4.550 . 4.550 3.597 3.303 4.006 . 0 0 "[ . 1 . 2]" 1
225 1 49 ILE H 1 79 ALA H 3.840 . 3.840 2.702 2.499 2.960 . 0 0 "[ . 1 . 2]" 1
226 1 49 ILE H 1 79 ALA MB 4.180 . 4.180 3.859 3.629 4.103 . 0 0 "[ . 1 . 2]" 1
227 1 49 ILE H 1 80 VAL HA 4.320 . 4.320 3.753 3.401 3.936 . 0 0 "[ . 1 . 2]" 1
228 1 49 ILE HA 1 49 ILE MD 4.030 . 4.030 3.823 3.784 3.857 . 0 0 "[ . 1 . 2]" 1
229 1 49 ILE HA 1 49 ILE HG12 4.180 . 4.180 3.118 2.969 3.173 . 0 0 "[ . 1 . 2]" 1
230 1 49 ILE HA 1 49 ILE HG13 3.740 . 3.740 2.500 2.423 2.558 . 0 0 "[ . 1 . 2]" 1
231 1 49 ILE HA 1 50 ASN H 3.170 . 3.170 2.121 2.055 2.226 . 0 0 "[ . 1 . 2]" 1
232 1 49 ILE HA 1 56 LEU HA 3.710 . 3.710 2.180 2.063 2.384 . 0 0 "[ . 1 . 2]" 1
233 1 49 ILE HA 1 56 LEU QD 3.970 . 3.970 2.914 2.660 3.251 . 0 0 "[ . 1 . 2]" 1
234 1 49 ILE HA 1 57 LEU H 4.650 . 4.650 3.231 3.039 3.622 . 0 0 "[ . 1 . 2]" 1
235 1 49 ILE HB 1 49 ILE MD 3.400 . 3.400 2.461 2.419 2.559 . 0 0 "[ . 1 . 2]" 1
236 1 49 ILE HB 1 50 ASN H 4.130 . 4.130 4.080 3.904 4.148 0.018 13 0 "[ . 1 . 2]" 1
237 1 49 ILE HB 1 56 LEU HA 4.130 . 4.130 3.159 2.648 3.823 . 0 0 "[ . 1 . 2]" 1
238 1 49 ILE HB 1 81 ASP HA 4.160 . 4.160 3.571 2.759 4.174 0.014 19 0 "[ . 1 . 2]" 1
239 1 49 ILE MD 1 54 GLY HA2 4.170 . 4.170 3.790 3.199 4.314 0.144 16 0 "[ . 1 . 2]" 1
240 1 49 ILE MD 1 54 GLY QA 3.580 . 3.580 2.671 2.136 3.404 . 0 0 "[ . 1 . 2]" 1
241 1 49 ILE MD 1 54 GLY HA3 4.170 . 4.170 2.733 2.161 3.565 . 0 0 "[ . 1 . 2]" 1
242 1 49 ILE MD 1 56 LEU QB 4.230 . 4.230 3.026 2.340 3.933 . 0 0 "[ . 1 . 2]" 1
243 1 49 ILE MD 1 81 ASP HA 4.760 . 4.760 4.302 3.507 4.778 0.018 19 0 "[ . 1 . 2]" 1
244 1 49 ILE MD 1 82 PRO QD 4.680 . 4.680 3.473 2.635 4.165 . 0 0 "[ . 1 . 2]" 1
245 1 49 ILE QG 1 50 ASN H 3.820 . 3.820 2.499 1.997 2.700 . 0 0 "[ . 1 . 2]" 1
246 1 49 ILE HG12 1 49 ILE MG 3.450 . 3.450 2.438 2.398 2.468 . 0 0 "[ . 1 . 2]" 1
247 1 49 ILE HG12 1 50 ASN H 4.240 . 4.240 2.817 2.095 3.081 . 0 0 "[ . 1 . 2]" 1
248 1 49 ILE HG12 1 50 ASN HA 4.710 . 4.710 4.289 4.075 4.564 . 0 0 "[ . 1 . 2]" 1
249 1 49 ILE HG13 1 50 ASN H 4.020 . 4.020 2.812 2.516 3.005 . 0 0 "[ . 1 . 2]" 1
250 1 49 ILE HG13 1 56 LEU HA 3.950 . 3.950 2.941 2.450 3.622 . 0 0 "[ . 1 . 2]" 1
251 1 49 ILE MG 1 50 ASN H 4.100 . 4.100 3.893 3.427 4.059 . 0 0 "[ . 1 . 2]" 1
252 1 49 ILE MG 1 51 LYS H 4.610 . 4.610 4.404 4.012 4.684 0.074 11 0 "[ . 1 . 2]" 1
253 1 49 ILE MG 1 51 LYS HA 4.160 . 4.160 3.770 3.205 4.136 . 0 0 "[ . 1 . 2]" 1
254 1 49 ILE MG 1 51 LYS QD 5.210 . 5.210 4.244 2.081 5.422 0.212 16 0 "[ . 1 . 2]" 1
255 1 49 ILE MG 1 51 LYS QG 4.860 . 4.860 3.630 2.777 4.886 0.026 5 0 "[ . 1 . 2]" 1
256 1 49 ILE MG 1 56 LEU HA 4.910 . 4.910 4.515 4.170 4.933 0.023 3 0 "[ . 1 . 2]" 1
257 1 49 ILE MG 1 56 LEU QB 5.340 . 5.340 4.623 4.217 5.210 . 0 0 "[ . 1 . 2]" 1
258 1 49 ILE MG 1 79 ALA H 4.120 . 4.120 3.161 2.753 3.507 . 0 0 "[ . 1 . 2]" 1
259 1 49 ILE MG 1 79 ALA MB 3.340 . 3.340 2.879 2.299 3.327 . 0 0 "[ . 1 . 2]" 1
260 1 49 ILE MG 1 81 ASP H 4.340 . 4.340 3.839 3.468 4.166 . 0 0 "[ . 1 . 2]" 1
261 1 49 ILE MG 1 81 ASP HA 3.390 . 3.390 2.521 2.210 3.083 . 0 0 "[ . 1 . 2]" 1
262 1 49 ILE MG 1 81 ASP HB2 4.660 . 4.660 3.729 3.244 4.322 . 0 0 "[ . 1 . 2]" 1
263 1 49 ILE MG 1 82 PRO QD 3.270 . 3.270 2.477 2.059 3.112 . 0 0 "[ . 1 . 2]" 1
264 1 49 ILE MG 1 82 PRO QG 5.190 . 5.190 3.648 3.137 4.441 . 0 0 "[ . 1 . 2]" 1
265 1 50 ASN H 1 50 ASN HB2 3.890 . 3.890 2.570 2.327 2.692 . 0 0 "[ . 1 . 2]" 1
266 1 50 ASN H 1 50 ASN QB 3.640 . 3.640 2.304 2.232 2.337 . 0 0 "[ . 1 . 2]" 1
267 1 50 ASN H 1 50 ASN HB3 3.680 . 3.680 2.686 2.437 3.583 . 0 0 "[ . 1 . 2]" 1
268 1 50 ASN H 1 54 GLY H 4.670 . 4.670 3.844 3.106 4.145 . 0 0 "[ . 1 . 2]" 1
269 1 50 ASN H 1 55 THR H 4.120 . 4.120 3.438 2.410 4.003 . 0 0 "[ . 1 . 2]" 1
270 1 50 ASN H 1 55 THR HB 4.700 . 4.700 3.124 2.756 3.820 . 0 0 "[ . 1 . 2]" 1
271 1 50 ASN H 1 78 PHE QE 4.580 . 4.580 3.439 3.116 3.846 . 0 0 "[ . 1 . 2]" 1
272 1 50 ASN HA 1 51 LYS H 3.220 . 3.220 2.137 2.086 2.281 . 0 0 "[ . 1 . 2]" 1
273 1 50 ASN HA 1 51 LYS HA 4.600 . 4.600 4.335 4.256 4.492 . 0 0 "[ . 1 . 2]" 1
274 1 50 ASN HA 1 52 VAL H 4.360 . 4.360 3.757 3.379 4.111 . 0 0 "[ . 1 . 2]" 1
275 1 50 ASN HA 1 52 VAL QG 5.100 . 5.100 4.753 4.202 5.131 0.031 20 0 "[ . 1 . 2]" 1
276 1 50 ASN HA 1 78 PHE HA 3.590 . 3.590 2.165 1.841 2.561 . 0 0 "[ . 1 . 2]" 1
277 1 50 ASN HA 1 78 PHE QD 4.230 . 4.230 3.374 3.158 3.619 . 0 0 "[ . 1 . 2]" 1
278 1 50 ASN HA 1 79 ALA H 4.290 . 4.290 3.742 3.329 4.205 . 0 0 "[ . 1 . 2]" 1
279 1 50 ASN QB 1 51 LYS H 4.290 . 4.290 3.698 3.024 3.872 . 0 0 "[ . 1 . 2]" 1
280 1 50 ASN QB 1 53 ASP H 4.150 . 4.150 2.922 1.901 3.249 . 0 0 "[ . 1 . 2]" 1
281 1 50 ASN QB 1 54 GLY H 4.160 . 4.160 2.216 1.807 2.617 . 0 0 "[ . 1 . 2]" 1
282 1 50 ASN QB 1 55 THR H 3.570 . 3.570 2.142 1.600 2.702 . 0 0 "[ . 1 . 2]" 1
283 1 50 ASN HB2 1 53 ASP H 4.360 . 4.360 4.133 2.613 4.450 0.090 17 0 "[ . 1 . 2]" 1
284 1 50 ASN HB2 1 53 ASP QB 4.440 . 4.440 3.847 3.300 4.726 0.286 3 0 "[ . 1 . 2]" 1
285 1 50 ASN HB2 1 55 THR H 3.940 . 3.940 3.343 1.629 3.970 0.030 8 0 "[ . 1 . 2]" 1
286 1 50 ASN HB2 1 55 THR HB 3.980 . 3.980 2.557 2.024 3.410 . 0 0 "[ . 1 . 2]" 1
287 1 50 ASN HB2 1 55 THR MG 4.630 . 4.630 4.036 3.572 4.705 0.075 11 0 "[ . 1 . 2]" 1
288 1 50 ASN HB3 1 51 LYS HA 5.170 . 5.170 5.030 4.402 5.206 0.036 13 0 "[ . 1 . 2]" 1
289 1 50 ASN HB3 1 53 ASP H 4.080 . 4.080 2.989 1.935 3.351 . 0 0 "[ . 1 . 2]" 1
290 1 50 ASN HB3 1 54 GLY H 3.950 . 3.950 2.363 1.909 3.238 . 0 0 "[ . 1 . 2]" 1
291 1 50 ASN HB3 1 54 GLY QA 4.160 . 4.160 3.839 3.448 4.243 0.083 16 0 "[ . 1 . 2]" 1
292 1 50 ASN HB3 1 55 THR H 3.500 . 3.500 2.327 1.793 3.522 0.022 16 0 "[ . 1 . 2]" 1
293 1 50 ASN HB3 1 55 THR HB 4.110 . 4.110 2.888 2.371 4.254 0.144 11 0 "[ . 1 . 2]" 1
294 1 50 ASN QD 1 52 VAL H 4.340 . 4.340 3.816 2.884 4.177 . 0 0 "[ . 1 . 2]" 1
295 1 50 ASN QD 1 77 GLU QB 3.770 . 3.770 2.716 1.918 3.514 . 0 0 "[ . 1 . 2]" 1
296 1 50 ASN QD 1 77 GLU QG 5.070 . 5.070 3.617 2.156 4.603 . 0 0 "[ . 1 . 2]" 1
297 1 50 ASN QD 1 78 PHE QD 4.560 . 4.560 3.622 2.791 4.568 0.008 5 0 "[ . 1 . 2]" 1
298 1 50 ASN QD 1 78 PHE QE 4.190 . 4.190 2.927 2.317 3.427 . 0 0 "[ . 1 . 2]" 1
299 1 50 ASN QD 1 78 PHE HZ 4.220 . 4.220 3.156 2.646 3.700 . 0 0 "[ . 1 . 2]" 1
300 1 51 LYS H 1 51 LYS QB 3.480 . 3.480 2.436 2.332 2.620 . 0 0 "[ . 1 . 2]" 1
301 1 51 LYS H 1 51 LYS QD 4.280 . 4.280 3.656 2.357 4.238 . 0 0 "[ . 1 . 2]" 1
302 1 51 LYS H 1 51 LYS QG 3.560 . 3.560 2.325 1.877 3.580 0.020 3 0 "[ . 1 . 2]" 1
303 1 51 LYS H 1 52 VAL H 3.500 . 3.500 2.587 2.438 2.734 . 0 0 "[ . 1 . 2]" 1
304 1 51 LYS H 1 52 VAL HB 5.040 . 5.040 4.931 4.761 5.063 0.023 20 0 "[ . 1 . 2]" 1
305 1 51 LYS H 1 52 VAL QG 5.180 . 5.180 3.729 3.479 4.168 . 0 0 "[ . 1 . 2]" 1
306 1 51 LYS H 1 78 PHE HA 4.010 . 4.010 2.887 2.627 3.172 . 0 0 "[ . 1 . 2]" 1
307 1 51 LYS HA 1 51 LYS QD 4.030 . 4.030 3.395 1.994 4.137 0.107 18 0 "[ . 1 . 2]" 1
308 1 51 LYS HA 1 51 LYS QG 3.310 . 3.310 2.605 2.321 3.331 0.021 5 0 "[ . 1 . 2]" 1
309 1 51 LYS QB 1 52 VAL H 3.890 . 3.890 2.975 2.533 3.678 . 0 0 "[ . 1 . 2]" 1
310 1 51 LYS HB2 1 52 VAL H 4.710 . 4.710 3.087 2.573 4.010 . 0 0 "[ . 1 . 2]" 1
311 1 51 LYS HB3 1 52 VAL H 4.710 . 4.710 3.937 3.515 4.276 . 0 0 "[ . 1 . 2]" 1
312 1 51 LYS QD 1 79 ALA MB 3.960 . 3.960 2.563 1.895 3.694 . 0 0 "[ . 1 . 2]" 1
313 1 51 LYS QE 1 79 ALA MB 4.020 . 4.020 2.904 1.846 3.810 . 0 0 "[ . 1 . 2]" 1
314 1 52 VAL H 1 52 VAL HB 3.110 . 3.110 2.556 2.497 2.671 . 0 0 "[ . 1 . 2]" 1
315 1 52 VAL H 1 52 VAL MG1 3.850 . 3.850 3.719 2.317 3.835 . 0 0 "[ . 1 . 2]" 1
316 1 52 VAL H 1 52 VAL QG 2.990 . 2.990 2.185 1.894 2.351 . 0 0 "[ . 1 . 2]" 1
317 1 52 VAL H 1 52 VAL MG2 3.850 . 3.850 2.274 1.899 3.800 . 0 0 "[ . 1 . 2]" 1
318 1 52 VAL H 1 53 ASP H 3.260 . 3.260 2.431 2.060 2.954 . 0 0 "[ . 1 . 2]" 1
319 1 52 VAL H 1 54 GLY H 4.580 . 4.580 3.912 3.528 4.690 0.110 16 0 "[ . 1 . 2]" 1
320 1 52 VAL HA 1 52 VAL MG1 3.160 . 3.160 2.427 2.358 3.236 0.076 17 0 "[ . 1 . 2]" 1
321 1 52 VAL HA 1 52 VAL MG2 3.160 . 3.160 2.440 2.274 2.513 . 0 0 "[ . 1 . 2]" 1
322 1 52 VAL HB 1 53 ASP H 3.350 . 3.350 2.403 2.122 3.588 0.238 17 0 "[ . 1 . 2]" 1
323 1 52 VAL QG 1 53 ASP H 3.380 . 3.380 3.026 2.009 3.386 0.006 16 0 "[ . 1 . 2]" 1
324 1 52 VAL QG 1 53 ASP QB 4.110 . 4.110 3.593 2.639 4.108 . 0 0 "[ . 1 . 2]" 1
325 1 52 VAL MG1 1 53 ASP H 3.920 . 3.920 3.281 2.018 3.924 0.004 11 0 "[ . 1 . 2]" 1
326 1 52 VAL MG1 1 54 GLY H 5.500 . 5.500 5.137 4.170 5.480 . 0 0 "[ . 1 . 2]" 1
327 1 52 VAL MG2 1 53 ASP H 3.920 . 3.920 3.623 3.453 3.728 . 0 0 "[ . 1 . 2]" 1
328 1 52 VAL MG2 1 54 GLY H 5.500 . 5.500 5.380 5.172 5.594 0.094 3 0 "[ . 1 . 2]" 1
329 1 53 ASP H 1 53 ASP QB 3.610 . 3.610 2.438 2.222 3.336 . 0 0 "[ . 1 . 2]" 1
330 1 53 ASP H 1 54 GLY H 3.220 . 3.220 2.583 2.283 3.020 . 0 0 "[ . 1 . 2]" 1
331 1 53 ASP H 1 54 GLY QA 4.390 . 4.390 4.374 4.226 4.477 0.087 3 0 "[ . 1 . 2]" 1
332 1 53 ASP H 1 55 THR H 4.500 . 4.500 4.030 3.527 4.603 0.103 11 0 "[ . 1 . 2]" 1
333 1 53 ASP HA 1 53 ASP QB 2.520 . 2.520 2.336 2.272 2.407 . 0 0 "[ . 1 . 2]" 1
334 1 54 GLY H 1 55 THR H 3.530 . 3.530 2.203 2.010 2.593 . 0 0 "[ . 1 . 2]" 1
335 1 54 GLY H 1 55 THR HA 4.790 . 4.790 4.785 4.604 4.969 0.179 3 0 "[ . 1 . 2]" 1
336 1 54 GLY H 1 55 THR MG 5.500 . 5.500 5.386 5.223 5.650 0.150 3 0 "[ . 1 . 2]" 1
337 1 55 THR H 1 55 THR HB 3.520 . 3.520 2.631 2.327 2.841 . 0 0 "[ . 1 . 2]" 1
338 1 55 THR H 1 55 THR MG 3.830 . 3.830 3.704 3.621 3.790 . 0 0 "[ . 1 . 2]" 1
339 1 55 THR HA 1 55 THR MG 3.180 . 3.180 2.333 2.237 2.472 . 0 0 "[ . 1 . 2]" 1
340 1 55 THR HA 1 56 LEU H 2.860 . 2.860 2.196 2.096 2.294 . 0 0 "[ . 1 . 2]" 1
341 1 55 THR HA 1 56 LEU QB 4.890 . 4.890 4.139 3.999 4.227 . 0 0 "[ . 1 . 2]" 1
342 1 55 THR HA 1 57 LEU QD 4.610 . 4.610 4.582 4.382 4.639 0.029 20 0 "[ . 1 . 2]" 1
343 1 55 THR HB 1 56 LEU H 4.560 . 4.560 4.271 4.097 4.405 . 0 0 "[ . 1 . 2]" 1
344 1 55 THR MG 1 56 LEU H 3.330 . 3.330 3.107 2.809 3.339 0.009 5 0 "[ . 1 . 2]" 1
345 1 55 THR MG 1 57 LEU HA 4.590 . 4.590 4.294 3.694 4.601 0.011 14 0 "[ . 1 . 2]" 1
346 1 55 THR MG 1 57 LEU MD1 4.210 . 4.210 3.668 3.157 3.982 . 0 0 "[ . 1 . 2]" 1
347 1 55 THR MG 1 57 LEU QD 3.090 . 3.090 2.254 1.988 2.456 . 0 0 "[ . 1 . 2]" 1
348 1 55 THR MG 1 57 LEU MD2 4.210 . 4.210 2.280 1.993 2.530 . 0 0 "[ . 1 . 2]" 1
349 1 55 THR MG 1 57 LEU HG 3.990 . 3.990 3.091 2.518 3.464 . 0 0 "[ . 1 . 2]" 1
350 1 55 THR MG 1 78 PHE QE 4.120 . 4.120 3.032 2.048 3.531 . 0 0 "[ . 1 . 2]" 1
351 1 55 THR MG 1 78 PHE HZ 4.110 . 4.110 3.406 2.263 4.130 0.020 8 0 "[ . 1 . 2]" 1
352 1 56 LEU H 1 56 LEU HB2 3.340 . 3.340 2.870 2.777 3.012 . 0 0 "[ . 1 . 2]" 1
353 1 56 LEU H 1 56 LEU QB 3.100 . 3.100 2.321 2.254 2.398 . 0 0 "[ . 1 . 2]" 1
354 1 56 LEU H 1 56 LEU HB3 3.340 . 3.340 2.452 2.360 2.552 . 0 0 "[ . 1 . 2]" 1
355 1 56 LEU H 1 56 LEU MD1 4.650 . 4.650 4.282 3.938 4.358 . 0 0 "[ . 1 . 2]" 1
356 1 56 LEU H 1 56 LEU QD 3.960 . 3.960 3.833 3.658 3.884 . 0 0 "[ . 1 . 2]" 1
357 1 56 LEU H 1 56 LEU MD2 4.650 . 4.650 4.328 4.264 4.406 . 0 0 "[ . 1 . 2]" 1
358 1 56 LEU H 1 56 LEU HG 5.110 . 5.110 4.400 4.313 4.740 . 0 0 "[ . 1 . 2]" 1
359 1 56 LEU H 1 57 LEU QD 5.070 . 5.070 4.210 3.891 4.409 . 0 0 "[ . 1 . 2]" 1
360 1 56 LEU HA 1 56 LEU MD1 4.110 . 4.110 2.229 2.110 3.424 . 0 0 "[ . 1 . 2]" 1
361 1 56 LEU HA 1 56 LEU QD 3.150 . 3.150 2.164 2.101 2.317 . 0 0 "[ . 1 . 2]" 1
362 1 56 LEU HA 1 56 LEU MD2 4.110 . 4.110 3.833 2.356 3.933 . 0 0 "[ . 1 . 2]" 1
363 1 56 LEU HA 1 57 LEU H 3.160 . 3.160 2.115 2.043 2.193 . 0 0 "[ . 1 . 2]" 1
364 1 56 LEU HA 1 57 LEU QD 4.310 . 4.310 4.106 3.952 4.252 . 0 0 "[ . 1 . 2]" 1
365 1 56 LEU QB 1 56 LEU QD 2.750 . 2.750 1.948 1.928 2.065 . 0 0 "[ . 1 . 2]" 1
366 1 56 LEU QB 1 57 LEU H 3.960 . 3.960 3.733 3.583 3.780 . 0 0 "[ . 1 . 2]" 1
367 1 56 LEU QD 1 57 LEU H 3.340 . 3.340 2.437 1.700 2.735 . 0 0 "[ . 1 . 2]" 1
368 1 56 LEU QD 1 81 ASP H 5.020 . 5.020 4.188 3.819 4.651 . 0 0 "[ . 1 . 2]" 1
369 1 56 LEU QD 1 81 ASP HB2 3.750 . 3.750 2.325 2.006 2.838 . 0 0 "[ . 1 . 2]" 1
370 1 56 LEU QD 1 82 PRO QD 4.650 . 4.650 3.836 3.481 4.390 . 0 0 "[ . 1 . 2]" 1
371 1 56 LEU MD1 1 57 LEU H 4.530 . 4.530 2.503 2.282 2.799 . 0 0 "[ . 1 . 2]" 1
372 1 56 LEU MD2 1 57 LEU H 4.530 . 4.530 4.404 1.715 4.614 0.084 17 0 "[ . 1 . 2]" 1
373 1 56 LEU HG 1 57 LEU H 4.250 . 4.250 3.200 2.808 4.326 0.076 15 0 "[ . 1 . 2]" 1
374 1 56 LEU HG 1 58 VAL H 5.120 . 5.120 4.281 3.711 5.238 0.118 15 0 "[ . 1 . 2]" 1
375 1 56 LEU HG 1 58 VAL MG1 3.410 . 3.410 2.114 1.906 3.396 . 0 0 "[ . 1 . 2]" 1
376 1 56 LEU HG 1 58 VAL MG2 4.280 . 4.280 3.733 3.237 4.283 0.003 15 0 "[ . 1 . 2]" 1
377 1 57 LEU H 1 57 LEU HB2 3.710 . 3.710 2.586 2.522 2.707 . 0 0 "[ . 1 . 2]" 1
378 1 57 LEU H 1 57 LEU QB 3.900 . 3.900 2.539 2.480 2.648 . 0 0 "[ . 1 . 2]" 1
379 1 57 LEU H 1 57 LEU MD1 5.190 . 5.190 3.970 3.868 4.112 . 0 0 "[ . 1 . 2]" 1
380 1 57 LEU H 1 57 LEU QD 3.830 . 3.830 3.281 3.162 3.455 . 0 0 "[ . 1 . 2]" 1
381 1 57 LEU H 1 57 LEU MD2 5.190 . 5.190 3.501 3.334 3.713 . 0 0 "[ . 1 . 2]" 1
382 1 57 LEU H 1 57 LEU HG 4.180 . 4.180 2.748 2.576 3.010 . 0 0 "[ . 1 . 2]" 1
383 1 57 LEU H 1 58 VAL MG1 5.500 . 5.500 3.916 3.704 4.149 . 0 0 "[ . 1 . 2]" 1
384 1 57 LEU HA 1 57 LEU MD1 3.880 . 3.880 3.873 3.841 3.896 0.016 15 0 "[ . 1 . 2]" 1
385 1 57 LEU HA 1 57 LEU QD 2.980 . 2.980 2.135 2.072 2.212 . 0 0 "[ . 1 . 2]" 1
386 1 57 LEU HA 1 57 LEU MD2 3.880 . 3.880 2.146 2.081 2.225 . 0 0 "[ . 1 . 2]" 1
387 1 57 LEU HA 1 57 LEU HG 3.900 . 3.900 3.293 3.216 3.405 . 0 0 "[ . 1 . 2]" 1
388 1 57 LEU HA 1 58 VAL H 2.950 . 2.950 2.102 2.016 2.167 . 0 0 "[ . 1 . 2]" 1
389 1 57 LEU HA 1 58 VAL HA 4.540 . 4.540 4.348 4.271 4.407 . 0 0 "[ . 1 . 2]" 1
390 1 57 LEU HA 1 58 VAL MG1 4.220 . 4.220 3.898 3.724 4.280 0.060 15 0 "[ . 1 . 2]" 1
391 1 57 LEU HA 1 62 ALA MB 3.990 . 3.990 4.038 3.955 4.092 0.102 20 0 "[ . 1 . 2]" 1
392 1 57 LEU QB 1 62 ALA H 4.130 . 4.130 3.597 3.239 3.962 . 0 0 "[ . 1 . 2]" 1
393 1 57 LEU HB2 1 58 VAL H 4.370 . 4.370 4.211 4.045 4.356 . 0 0 "[ . 1 . 2]" 1
394 1 57 LEU HB2 1 62 ALA MB 3.700 . 3.700 3.021 2.652 3.340 . 0 0 "[ . 1 . 2]" 1
395 1 57 LEU HB3 1 61 ASP HB2 4.620 . 4.620 3.705 2.901 4.678 0.058 2 0 "[ . 1 . 2]" 1
396 1 57 LEU HB3 1 62 ALA H 4.330 . 4.330 3.710 3.318 4.091 . 0 0 "[ . 1 . 2]" 1
397 1 57 LEU HB3 1 63 PRO QD 4.710 . 4.710 3.780 3.118 4.311 . 0 0 "[ . 1 . 2]" 1
398 1 57 LEU QD 1 58 VAL H 4.110 . 4.110 3.717 3.566 3.898 . 0 0 "[ . 1 . 2]" 1
399 1 57 LEU QD 1 61 ASP HA 4.830 . 4.830 3.984 3.597 4.483 . 0 0 "[ . 1 . 2]" 1
400 1 57 LEU QD 1 61 ASP HB2 4.350 . 4.350 3.631 3.181 4.387 0.037 2 0 "[ . 1 . 2]" 1
401 1 57 LEU QD 1 61 ASP HB3 3.510 . 3.510 2.509 1.905 3.512 0.002 4 0 "[ . 1 . 2]" 1
402 1 57 LEU QD 1 62 ALA HA 4.130 . 4.130 3.006 2.676 3.280 . 0 0 "[ . 1 . 2]" 1
403 1 57 LEU QD 1 62 ALA MB 3.890 . 3.890 3.765 3.496 3.933 0.043 20 0 "[ . 1 . 2]" 1
404 1 57 LEU QD 1 71 TRP HH2 4.460 . 4.460 2.655 2.247 3.834 . 0 0 "[ . 1 . 2]" 1
405 1 57 LEU QD 1 71 TRP HZ2 4.060 . 4.060 3.198 2.579 4.091 0.031 17 0 "[ . 1 . 2]" 1
406 1 57 LEU QD 1 78 PHE QD 4.390 . 4.390 3.378 3.157 3.806 . 0 0 "[ . 1 . 2]" 1
407 1 57 LEU QD 1 78 PHE QE 3.480 . 3.480 2.588 2.382 3.111 . 0 0 "[ . 1 . 2]" 1
408 1 57 LEU QD 1 78 PHE HZ 3.980 . 3.980 3.199 2.859 3.880 . 0 0 "[ . 1 . 2]" 1
409 1 57 LEU MD1 1 62 ALA HA 4.820 . 4.820 3.064 2.707 3.367 . 0 0 "[ . 1 . 2]" 1
410 1 57 LEU MD1 1 78 PHE QD 5.300 . 5.300 3.450 3.202 3.902 . 0 0 "[ . 1 . 2]" 1
411 1 57 LEU MD1 1 78 PHE QE 4.010 . 4.010 2.729 2.434 3.247 . 0 0 "[ . 1 . 2]" 1
412 1 57 LEU MD2 1 62 ALA HA 4.820 . 4.820 4.375 4.103 4.704 . 0 0 "[ . 1 . 2]" 1
413 1 57 LEU MD2 1 78 PHE QD 5.300 . 5.300 4.857 4.424 5.286 . 0 0 "[ . 1 . 2]" 1
414 1 57 LEU MD2 1 78 PHE QE 4.010 . 4.010 3.302 2.764 3.983 . 0 0 "[ . 1 . 2]" 1
415 1 57 LEU HG 1 78 PHE QD 5.060 . 5.060 3.636 3.122 4.085 . 0 0 "[ . 1 . 2]" 1
416 1 57 LEU HG 1 78 PHE QE 4.310 . 4.310 2.468 2.099 3.134 . 0 0 "[ . 1 . 2]" 1
417 1 58 VAL H 1 58 VAL MG1 3.260 . 3.260 3.013 2.902 3.156 . 0 0 "[ . 1 . 2]" 1
418 1 58 VAL H 1 58 VAL MG2 3.140 . 3.140 2.215 2.039 2.299 . 0 0 "[ . 1 . 2]" 1
419 1 58 VAL H 1 61 ASP HB2 4.090 . 4.090 3.237 2.219 4.133 0.043 7 0 "[ . 1 . 2]" 1
420 1 58 VAL H 1 61 ASP QB 3.490 . 3.490 2.823 2.192 3.495 0.005 9 0 "[ . 1 . 2]" 1
421 1 58 VAL H 1 61 ASP HB3 4.630 . 4.630 3.615 2.377 4.626 . 0 0 "[ . 1 . 2]" 1
422 1 58 VAL H 1 62 ALA MB 4.050 . 4.050 3.568 3.332 3.888 . 0 0 "[ . 1 . 2]" 1
423 1 58 VAL HA 1 58 VAL MG1 3.240 . 3.240 2.379 2.301 2.435 . 0 0 "[ . 1 . 2]" 1
424 1 58 VAL HA 1 59 GLY H 3.370 . 3.370 2.413 2.277 2.543 . 0 0 "[ . 1 . 2]" 1
425 1 58 VAL HA 1 62 ALA MB 3.280 . 3.280 2.373 1.983 2.871 . 0 0 "[ . 1 . 2]" 1
426 1 58 VAL HB 1 59 GLY H 3.500 . 3.500 2.383 2.160 2.723 . 0 0 "[ . 1 . 2]" 1
427 1 58 VAL MG1 1 59 GLY H 4.100 . 4.100 3.633 3.378 3.840 . 0 0 "[ . 1 . 2]" 1
428 1 58 VAL MG2 1 59 GLY H 3.950 . 3.950 3.429 3.245 3.710 . 0 0 "[ . 1 . 2]" 1
429 1 58 VAL MG2 1 60 GLU H 5.190 . 5.190 4.897 4.193 5.225 0.035 17 0 "[ . 1 . 2]" 1
430 1 58 VAL MG2 1 62 ALA MB 4.900 . 4.900 4.421 4.163 4.759 . 0 0 "[ . 1 . 2]" 1
431 1 59 GLY H 1 62 ALA MB 4.130 . 4.130 3.299 2.681 4.137 0.007 19 0 "[ . 1 . 2]" 1
432 1 59 GLY QA 1 60 GLU H 2.990 . 2.990 2.118 2.069 2.179 . 0 0 "[ . 1 . 2]" 1
433 1 59 GLY QA 1 60 GLU HA 4.410 . 4.410 3.883 3.796 3.924 . 0 0 "[ . 1 . 2]" 1
434 1 59 GLY QA 1 61 ASP H 4.100 . 4.100 3.264 3.088 3.842 . 0 0 "[ . 1 . 2]" 1
435 1 59 GLY HA2 1 60 GLU H 3.410 . 3.410 2.154 2.100 2.248 . 0 0 "[ . 1 . 2]" 1
436 1 59 GLY HA3 1 60 GLU H 3.410 . 3.410 3.155 2.932 3.394 . 0 0 "[ . 1 . 2]" 1
437 1 60 GLU H 1 60 GLU HB2 3.740 . 3.740 2.683 2.391 3.680 . 0 0 "[ . 1 . 2]" 1
438 1 60 GLU H 1 60 GLU QB 3.130 . 3.130 2.507 2.359 2.820 . 0 0 "[ . 1 . 2]" 1
439 1 60 GLU H 1 60 GLU HB3 3.740 . 3.740 3.525 2.720 3.733 . 0 0 "[ . 1 . 2]" 1
440 1 60 GLU H 1 60 GLU QG 3.550 . 3.550 2.460 1.979 2.967 . 0 0 "[ . 1 . 2]" 1
441 1 60 GLU H 1 61 ASP H 3.630 . 3.630 2.376 2.166 2.685 . 0 0 "[ . 1 . 2]" 1
442 1 60 GLU HA 1 60 GLU HG2 4.060 . 4.060 2.932 2.309 3.766 . 0 0 "[ . 1 . 2]" 1
443 1 60 GLU HA 1 60 GLU QG 3.550 . 3.550 2.775 2.260 3.495 . 0 0 "[ . 1 . 2]" 1
444 1 60 GLU HA 1 60 GLU HG3 4.060 . 4.060 3.482 2.863 4.189 0.129 7 0 "[ . 1 . 2]" 1
445 1 60 GLU HA 1 61 ASP HB2 5.270 . 5.270 5.349 5.280 5.421 0.151 14 0 "[ . 1 . 2]" 1
446 1 60 GLU HA 1 62 ALA H 4.200 . 4.200 3.477 3.055 3.906 . 0 0 "[ . 1 . 2]" 1
447 1 60 GLU QB 1 61 ASP H 4.150 . 4.150 3.383 2.567 3.865 . 0 0 "[ . 1 . 2]" 1
448 1 60 GLU QG 1 61 ASP H 4.590 . 4.590 4.114 2.833 4.535 . 0 0 "[ . 1 . 2]" 1
449 1 61 ASP H 1 61 ASP HB2 3.280 . 3.280 2.259 2.092 2.507 . 0 0 "[ . 1 . 2]" 1
450 1 61 ASP H 1 61 ASP QB 3.090 . 3.090 2.199 2.077 2.346 . 0 0 "[ . 1 . 2]" 1
451 1 61 ASP H 1 61 ASP HB3 3.550 . 3.550 3.315 2.498 3.588 0.038 6 0 "[ . 1 . 2]" 1
452 1 61 ASP H 1 62 ALA H 3.080 . 3.080 2.227 2.041 2.473 . 0 0 "[ . 1 . 2]" 1
453 1 61 ASP H 1 62 ALA MB 4.120 . 4.120 3.873 3.708 3.996 . 0 0 "[ . 1 . 2]" 1
454 1 61 ASP HA 1 62 ALA HA 4.880 . 4.880 4.623 4.470 4.747 . 0 0 "[ . 1 . 2]" 1
455 1 61 ASP QB 1 62 ALA H 4.280 . 4.280 2.909 2.530 3.358 . 0 0 "[ . 1 . 2]" 1
456 1 61 ASP HB2 1 62 ALA H 4.000 . 4.000 3.233 2.581 4.001 0.001 12 0 "[ . 1 . 2]" 1
457 1 61 ASP HB3 1 62 ALA H 4.300 . 4.300 3.609 2.651 4.109 . 0 0 "[ . 1 . 2]" 1
458 1 62 ALA H 1 62 ALA MB 2.970 . 2.970 2.238 2.192 2.323 . 0 0 "[ . 1 . 2]" 1
459 1 62 ALA HA 1 63 PRO HA 4.610 . 4.610 4.443 4.383 4.498 . 0 0 "[ . 1 . 2]" 1
460 1 62 ALA HA 1 63 PRO HD2 3.820 . 3.820 2.761 2.254 3.275 . 0 0 "[ . 1 . 2]" 1
461 1 62 ALA HA 1 63 PRO QD 3.270 . 3.270 1.979 1.854 2.174 . 0 0 "[ . 1 . 2]" 1
462 1 62 ALA HA 1 63 PRO HD3 3.820 . 3.820 2.077 1.879 2.394 . 0 0 "[ . 1 . 2]" 1
463 1 62 ALA MB 1 63 PRO QD 3.290 . 3.290 2.494 2.131 2.990 . 0 0 "[ . 1 . 2]" 1
464 1 63 PRO HA 1 64 ARG H 3.060 . 3.060 2.256 2.093 2.437 . 0 0 "[ . 1 . 2]" 1
465 1 63 PRO QB 1 64 ARG H 3.730 . 3.730 2.865 2.443 3.212 . 0 0 "[ . 1 . 2]" 1
466 1 63 PRO QB 1 68 LEU QD 4.310 . 4.310 2.838 2.143 3.663 . 0 0 "[ . 1 . 2]" 1
467 1 63 PRO HB2 1 64 ARG H 4.280 . 4.280 3.162 2.492 3.707 . 0 0 "[ . 1 . 2]" 1
468 1 63 PRO HB3 1 64 ARG H 4.280 . 4.280 3.400 2.904 3.756 . 0 0 "[ . 1 . 2]" 1
469 1 63 PRO QG 1 68 LEU HA 4.890 . 4.890 3.262 2.525 4.411 . 0 0 "[ . 1 . 2]" 1
470 1 63 PRO QG 1 68 LEU QD 3.340 . 3.340 2.168 1.902 2.648 . 0 0 "[ . 1 . 2]" 1
471 1 64 ARG H 1 64 ARG HB2 4.130 . 4.130 2.690 2.243 3.655 . 0 0 "[ . 1 . 2]" 1
472 1 64 ARG H 1 64 ARG QB 3.360 . 3.360 2.347 2.043 2.821 . 0 0 "[ . 1 . 2]" 1
473 1 64 ARG H 1 64 ARG HB3 4.130 . 4.130 2.866 2.203 3.629 . 0 0 "[ . 1 . 2]" 1
474 1 64 ARG H 1 64 ARG QD 4.780 . 4.780 4.011 3.384 4.671 . 0 0 "[ . 1 . 2]" 1
475 1 64 ARG H 1 64 ARG HG2 4.550 . 4.550 3.598 1.830 4.392 . 0 0 "[ . 1 . 2]" 1
476 1 64 ARG H 1 64 ARG QG 3.780 . 3.780 2.915 1.815 3.861 0.081 17 0 "[ . 1 . 2]" 1
477 1 64 ARG H 1 64 ARG HG3 4.550 . 4.550 3.392 2.142 4.428 . 0 0 "[ . 1 . 2]" 1
478 1 64 ARG H 1 67 GLU HB2 5.260 . 5.260 4.198 2.658 5.307 0.047 4 0 "[ . 1 . 2]" 1
479 1 64 ARG H 1 67 GLU QB 4.630 . 4.630 3.767 2.627 4.666 0.036 15 0 "[ . 1 . 2]" 1
480 1 64 ARG H 1 67 GLU HB3 5.260 . 5.260 4.721 4.098 5.240 . 0 0 "[ . 1 . 2]" 1
481 1 64 ARG H 1 67 GLU QG 4.110 . 4.110 3.075 2.259 4.172 0.062 20 0 "[ . 1 . 2]" 1
482 1 64 ARG HA 1 65 ARG H 3.460 . 3.460 2.232 1.989 2.344 . 0 0 "[ . 1 . 2]" 1
483 1 64 ARG QB 1 65 ARG H 4.120 . 4.120 3.154 2.519 3.797 . 0 0 "[ . 1 . 2]" 1
484 1 64 ARG QB 1 66 ALA H 4.170 . 4.170 3.185 2.461 4.191 0.021 20 0 "[ . 1 . 2]" 1
485 1 64 ARG QB 1 67 GLU H 3.670 . 3.670 2.991 2.367 3.755 0.085 14 0 "[ . 1 . 2]" 1
486 1 64 ARG QB 1 67 GLU QG 5.010 . 5.010 2.499 1.862 4.133 . 0 0 "[ . 1 . 2]" 1
487 1 64 ARG HB2 1 64 ARG QD 3.680 . 3.680 2.542 2.175 3.189 . 0 0 "[ . 1 . 2]" 1
488 1 64 ARG HB3 1 64 ARG QD 3.680 . 3.680 2.433 2.244 3.425 . 0 0 "[ . 1 . 2]" 1
489 1 64 ARG QD 1 66 ALA H 4.580 . 4.580 4.026 2.906 4.654 0.074 4 0 "[ . 1 . 2]" 1
490 1 64 ARG QD 1 66 ALA MB 4.000 . 4.000 2.983 2.073 3.801 . 0 0 "[ . 1 . 2]" 1
491 1 64 ARG QD 1 67 GLU H 4.230 . 4.230 4.060 3.399 4.384 0.154 10 0 "[ . 1 . 2]" 1
492 1 64 ARG QG 1 65 ARG H 4.070 . 4.070 3.433 2.488 4.073 0.003 1 0 "[ . 1 . 2]" 1
493 1 64 ARG HG2 1 65 ARG H 4.870 . 4.870 3.888 2.683 4.896 0.026 4 0 "[ . 1 . 2]" 1
494 1 64 ARG HG3 1 65 ARG H 4.870 . 4.870 3.980 2.841 4.943 0.073 1 0 "[ . 1 . 2]" 1
495 1 65 ARG H 1 65 ARG QB 3.820 . 3.820 2.243 2.146 2.602 . 0 0 "[ . 1 . 2]" 1
496 1 65 ARG H 1 65 ARG QD 4.960 . 4.960 4.112 1.563 4.427 . 0 0 "[ . 1 . 2]" 1
497 1 65 ARG H 1 65 ARG QG 4.380 . 4.380 3.902 2.711 4.096 . 0 0 "[ . 1 . 2]" 1
498 1 65 ARG H 1 66 ALA H 3.900 . 3.900 2.857 2.628 3.048 . 0 0 "[ . 1 . 2]" 1
499 1 65 ARG H 1 66 ALA MB 4.610 . 4.610 4.480 4.256 4.636 0.026 20 0 "[ . 1 . 2]" 1
500 1 65 ARG HA 1 65 ARG QD 3.890 . 3.890 2.353 2.000 3.920 0.030 13 0 "[ . 1 . 2]" 1
501 1 65 ARG HA 1 68 LEU H 3.930 . 3.930 3.227 2.941 3.495 . 0 0 "[ . 1 . 2]" 1
502 1 65 ARG HA 1 68 LEU HB2 4.130 . 4.130 2.333 1.926 2.935 . 0 0 "[ . 1 . 2]" 1
503 1 65 ARG HA 1 68 LEU QB 3.580 . 3.580 1.979 1.758 2.373 . 0 0 "[ . 1 . 2]" 1
504 1 65 ARG HA 1 68 LEU HB3 4.130 . 4.130 2.293 1.826 2.792 . 0 0 "[ . 1 . 2]" 1
505 1 65 ARG QB 1 66 ALA H 4.140 . 4.140 2.772 2.508 3.223 . 0 0 "[ . 1 . 2]" 1
506 1 66 ALA H 1 66 ALA MB 3.000 . 3.000 2.222 2.202 2.240 . 0 0 "[ . 1 . 2]" 1
507 1 66 ALA H 1 67 GLU H 3.830 . 3.830 2.754 2.647 2.827 . 0 0 "[ . 1 . 2]" 1
508 1 66 ALA MB 1 67 GLU H 3.420 . 3.420 2.712 2.544 2.937 . 0 0 "[ . 1 . 2]" 1
509 1 66 ALA MB 1 67 GLU QB 5.040 . 5.040 3.947 3.364 4.383 . 0 0 "[ . 1 . 2]" 1
510 1 66 ALA MB 1 67 GLU QG 4.160 . 4.160 3.425 2.621 4.161 0.001 9 0 "[ . 1 . 2]" 1
511 1 67 GLU H 1 67 GLU HB2 3.980 . 3.980 3.133 2.499 3.750 . 0 0 "[ . 1 . 2]" 1
512 1 67 GLU H 1 67 GLU QB 3.440 . 3.440 2.621 2.460 2.895 . 0 0 "[ . 1 . 2]" 1
513 1 67 GLU H 1 67 GLU HB3 3.980 . 3.980 3.230 2.609 3.721 . 0 0 "[ . 1 . 2]" 1
514 1 67 GLU H 1 67 GLU HG2 4.000 . 4.000 2.597 2.022 3.671 . 0 0 "[ . 1 . 2]" 1
515 1 67 GLU H 1 67 GLU QG 3.360 . 3.360 2.211 1.996 2.499 . 0 0 "[ . 1 . 2]" 1
516 1 67 GLU H 1 67 GLU HG3 4.000 . 4.000 3.128 2.142 3.966 . 0 0 "[ . 1 . 2]" 1
517 1 67 GLU HA 1 67 GLU QG 3.460 . 3.460 3.054 2.434 3.344 . 0 0 "[ . 1 . 2]" 1
518 1 67 GLU QB 1 68 LEU H 4.150 . 4.150 3.189 2.235 3.927 . 0 0 "[ . 1 . 2]" 1
519 1 67 GLU QG 1 68 LEU H 4.310 . 4.310 3.305 2.448 4.032 . 0 0 "[ . 1 . 2]" 1
520 1 68 LEU H 1 68 LEU HB2 3.440 . 3.440 2.368 2.242 2.540 . 0 0 "[ . 1 . 2]" 1
521 1 68 LEU H 1 68 LEU QB 3.000 . 3.000 2.156 2.094 2.239 . 0 0 "[ . 1 . 2]" 1
522 1 68 LEU H 1 68 LEU HB3 3.440 . 3.440 2.487 2.367 2.607 . 0 0 "[ . 1 . 2]" 1
523 1 68 LEU H 1 68 LEU MD1 4.410 . 4.410 4.192 4.013 4.266 . 0 0 "[ . 1 . 2]" 1
524 1 68 LEU H 1 68 LEU QD 3.850 . 3.850 3.674 3.604 3.730 . 0 0 "[ . 1 . 2]" 1
525 1 68 LEU H 1 68 LEU MD2 4.410 . 4.410 4.069 3.906 4.281 . 0 0 "[ . 1 . 2]" 1
526 1 68 LEU H 1 69 GLU H 4.080 . 4.080 2.903 2.743 3.094 . 0 0 "[ . 1 . 2]" 1
527 1 68 LEU HA 1 68 LEU MD1 4.230 . 4.230 3.205 2.253 3.399 . 0 0 "[ . 1 . 2]" 1
528 1 68 LEU HA 1 68 LEU QD 3.110 . 3.110 2.162 2.049 2.386 . 0 0 "[ . 1 . 2]" 1
529 1 68 LEU HA 1 68 LEU MD2 4.230 . 4.230 2.338 2.073 3.825 . 0 0 "[ . 1 . 2]" 1
530 1 68 LEU HA 1 71 TRP H 4.550 . 4.550 3.505 3.303 3.718 . 0 0 "[ . 1 . 2]" 1
531 1 68 LEU HA 1 71 TRP QB 3.930 . 3.930 2.317 2.051 2.789 . 0 0 "[ . 1 . 2]" 1
532 1 68 LEU HA 1 72 LEU H 4.630 . 4.630 3.814 3.639 4.130 . 0 0 "[ . 1 . 2]" 1
533 1 68 LEU HB2 1 69 GLU H 4.520 . 4.520 3.900 3.768 4.038 . 0 0 "[ . 1 . 2]" 1
534 1 68 LEU HB3 1 69 GLU H 4.520 . 4.520 2.622 2.451 2.826 . 0 0 "[ . 1 . 2]" 1
535 1 68 LEU QD 1 69 GLU HA 4.960 . 4.960 2.830 2.468 3.620 . 0 0 "[ . 1 . 2]" 1
536 1 68 LEU QD 1 69 GLU QB 4.240 . 4.240 3.729 2.972 4.370 0.130 5 0 "[ . 1 . 2]" 1
537 1 68 LEU QD 1 71 TRP QB 4.090 . 4.090 2.911 2.393 3.309 . 0 0 "[ . 1 . 2]" 1
538 1 68 LEU QD 1 71 TRP HE3 3.760 . 3.760 2.479 1.989 3.026 . 0 0 "[ . 1 . 2]" 1
539 1 68 LEU QD 1 72 LEU H 3.980 . 3.980 3.334 3.039 4.010 0.030 5 0 "[ . 1 . 2]" 1
540 1 68 LEU QD 1 72 LEU MD1 3.260 . 3.260 1.985 1.841 2.131 . 0 0 "[ . 1 . 2]" 1
541 1 68 LEU QD 1 72 LEU MD2 3.390 . 3.390 2.653 2.382 2.982 . 0 0 "[ . 1 . 2]" 1
542 1 68 LEU QD 1 72 LEU HG 3.360 . 3.360 2.179 1.985 2.838 . 0 0 "[ . 1 . 2]" 1
543 1 68 LEU MD1 1 71 TRP HE3 4.480 . 4.480 4.084 2.584 4.534 0.054 16 0 "[ . 1 . 2]" 1
544 1 68 LEU MD1 1 72 LEU H 4.700 . 4.700 3.837 3.587 4.315 . 0 0 "[ . 1 . 2]" 1
545 1 68 LEU MD1 1 72 LEU MD2 3.980 . 3.980 3.399 2.525 3.727 . 0 0 "[ . 1 . 2]" 1
546 1 68 LEU MD1 1 72 LEU HG 4.070 . 4.070 2.571 2.158 3.151 . 0 0 "[ . 1 . 2]" 1
547 1 68 LEU MD2 1 71 TRP HE3 4.480 . 4.480 2.686 1.994 4.500 0.020 10 0 "[ . 1 . 2]" 1
548 1 68 LEU MD2 1 72 LEU H 4.700 . 4.700 3.691 3.268 4.796 0.096 10 0 "[ . 1 . 2]" 1
549 1 68 LEU MD2 1 72 LEU MD2 3.980 . 3.980 2.823 2.436 3.448 . 0 0 "[ . 1 . 2]" 1
550 1 68 LEU MD2 1 72 LEU HG 4.070 . 4.070 2.388 2.068 3.275 . 0 0 "[ . 1 . 2]" 1
551 1 69 GLU H 1 69 GLU HB2 3.880 . 3.880 2.910 2.291 3.675 . 0 0 "[ . 1 . 2]" 1
552 1 69 GLU H 1 69 GLU QB 3.760 . 3.760 2.450 2.104 2.688 . 0 0 "[ . 1 . 2]" 1
553 1 69 GLU H 1 69 GLU HB3 3.880 . 3.880 2.859 2.377 3.603 . 0 0 "[ . 1 . 2]" 1
554 1 69 GLU H 1 69 GLU HG2 4.530 . 4.530 3.105 1.815 4.549 0.019 12 0 "[ . 1 . 2]" 1
555 1 69 GLU H 1 69 GLU QG 4.390 . 4.390 2.791 1.783 4.024 . 0 0 "[ . 1 . 2]" 1
556 1 69 GLU H 1 69 GLU HG3 4.530 . 4.530 3.577 1.801 4.494 . 0 0 "[ . 1 . 2]" 1
557 1 69 GLU H 1 70 MET H 3.830 . 3.830 2.734 2.538 2.918 . 0 0 "[ . 1 . 2]" 1
558 1 69 GLU HA 1 69 GLU HG2 3.930 . 3.930 3.367 2.537 3.832 . 0 0 "[ . 1 . 2]" 1
559 1 69 GLU HA 1 69 GLU QG 3.430 . 3.430 2.874 2.355 3.378 . 0 0 "[ . 1 . 2]" 1
560 1 69 GLU HA 1 69 GLU HG3 3.930 . 3.930 3.262 2.410 3.808 . 0 0 "[ . 1 . 2]" 1
561 1 69 GLU HA 1 72 LEU H 4.270 . 4.270 3.710 3.115 4.190 . 0 0 "[ . 1 . 2]" 1
562 1 69 GLU HA 1 72 LEU QB 3.870 . 3.870 3.181 2.345 3.841 . 0 0 "[ . 1 . 2]" 1
563 1 69 GLU HA 1 72 LEU MD1 4.150 . 4.150 3.351 2.408 4.155 0.005 18 0 "[ . 1 . 2]" 1
564 1 69 GLU QB 1 70 MET H 3.390 . 3.390 2.664 2.074 3.467 0.077 15 0 "[ . 1 . 2]" 1
565 1 69 GLU QG 1 70 MET H 3.920 . 3.920 3.044 1.905 3.853 . 0 0 "[ . 1 . 2]" 1
566 1 69 GLU HG2 1 70 MET H 4.440 . 4.440 3.577 2.783 4.531 0.091 11 0 "[ . 1 . 2]" 1
567 1 69 GLU HG3 1 70 MET H 4.440 . 4.440 3.533 1.937 4.530 0.090 2 0 "[ . 1 . 2]" 1
568 1 70 MET H 1 70 MET QB 3.050 . 3.050 2.392 2.214 2.542 . 0 0 "[ . 1 . 2]" 1
569 1 70 MET H 1 71 TRP H 3.460 . 3.460 2.503 2.345 2.796 . 0 0 "[ . 1 . 2]" 1
570 1 70 MET QB 1 71 TRP H 3.730 . 3.730 2.642 2.446 2.866 . 0 0 "[ . 1 . 2]" 1
571 1 71 TRP H 1 71 TRP QB 3.280 . 3.280 2.192 2.136 2.277 . 0 0 "[ . 1 . 2]" 1
572 1 71 TRP H 1 72 LEU H 3.710 . 3.710 2.712 2.574 2.857 . 0 0 "[ . 1 . 2]" 1
573 1 71 TRP H 1 72 LEU QB 4.700 . 4.700 4.676 4.543 4.735 0.035 18 0 "[ . 1 . 2]" 1
574 1 71 TRP HA 1 71 TRP HD1 4.030 . 4.030 2.983 2.783 3.188 . 0 0 "[ . 1 . 2]" 1
575 1 71 TRP QB 1 71 TRP HD1 3.630 . 3.630 2.683 2.612 2.759 . 0 0 "[ . 1 . 2]" 1
576 1 71 TRP QB 1 72 LEU H 3.900 . 3.900 2.419 2.178 2.630 . 0 0 "[ . 1 . 2]" 1
577 1 71 TRP QB 1 72 LEU HG 4.110 . 4.110 3.518 3.349 3.761 . 0 0 "[ . 1 . 2]" 1
578 1 71 TRP HE3 1 72 LEU H 4.370 . 4.370 3.209 2.887 3.545 . 0 0 "[ . 1 . 2]" 1
579 1 71 TRP HE3 1 72 LEU HA 3.780 . 3.780 3.304 2.807 3.787 0.007 12 0 "[ . 1 . 2]" 1
580 1 71 TRP HE3 1 72 LEU QB 4.720 . 4.720 4.185 3.913 4.450 . 0 0 "[ . 1 . 2]" 1
581 1 71 TRP HE3 1 72 LEU MD1 4.100 . 4.100 4.098 3.975 4.157 0.057 14 0 "[ . 1 . 2]" 1
582 1 71 TRP HE3 1 72 LEU MD2 3.390 . 3.390 2.269 2.028 2.595 . 0 0 "[ . 1 . 2]" 1
583 1 71 TRP HE3 1 72 LEU HG 3.990 . 3.990 2.689 2.451 2.908 . 0 0 "[ . 1 . 2]" 1
584 1 71 TRP HE3 1 78 PHE HB2 5.000 . 5.000 4.372 4.002 4.663 . 0 0 "[ . 1 . 2]" 1
585 1 71 TRP HZ3 1 72 LEU MD2 3.470 . 3.470 2.409 2.215 2.744 . 0 0 "[ . 1 . 2]" 1
586 1 71 TRP HZ3 1 78 PHE HB2 4.160 . 4.160 2.694 2.262 3.361 . 0 0 "[ . 1 . 2]" 1
587 1 71 TRP HZ3 1 78 PHE HB3 4.190 . 4.190 2.703 2.258 3.340 . 0 0 "[ . 1 . 2]" 1
588 1 72 LEU H 1 72 LEU HB2 3.950 . 3.950 2.454 2.398 2.511 . 0 0 "[ . 1 . 2]" 1
589 1 72 LEU H 1 72 LEU QB 3.290 . 3.290 2.417 2.366 2.469 . 0 0 "[ . 1 . 2]" 1
590 1 72 LEU H 1 72 LEU HB3 3.950 . 3.950 3.619 3.593 3.641 . 0 0 "[ . 1 . 2]" 1
591 1 72 LEU H 1 72 LEU MD1 3.880 . 3.880 3.787 3.556 3.930 0.050 12 0 "[ . 1 . 2]" 1
592 1 72 LEU H 1 72 LEU MD2 4.010 . 4.010 3.410 3.273 3.532 . 0 0 "[ . 1 . 2]" 1
593 1 72 LEU H 1 72 LEU HG 3.970 . 3.970 2.524 2.246 2.761 . 0 0 "[ . 1 . 2]" 1
594 1 72 LEU H 1 73 GLN H 3.500 . 3.500 2.684 2.613 2.841 . 0 0 "[ . 1 . 2]" 1
595 1 72 LEU HA 1 72 LEU MD1 4.000 . 4.000 3.814 3.741 3.860 . 0 0 "[ . 1 . 2]" 1
596 1 72 LEU HA 1 72 LEU MD2 3.070 . 3.070 2.003 1.928 2.070 . 0 0 "[ . 1 . 2]" 1
597 1 72 LEU HA 1 74 GLY H 4.350 . 4.350 3.984 3.742 4.357 0.007 17 0 "[ . 1 . 2]" 1
598 1 72 LEU HA 1 75 HIS H 3.980 . 3.980 3.160 2.614 3.638 . 0 0 "[ . 1 . 2]" 1
599 1 72 LEU QB 1 72 LEU MD1 3.190 . 3.190 2.077 2.060 2.102 . 0 0 "[ . 1 . 2]" 1
600 1 72 LEU QB 1 73 GLN H 3.360 . 3.360 2.792 2.617 3.082 . 0 0 "[ . 1 . 2]" 1
601 1 72 LEU MD2 1 75 HIS H 5.050 . 5.050 4.581 3.861 5.038 . 0 0 "[ . 1 . 2]" 1
602 1 72 LEU MD2 1 78 PHE H 4.290 . 4.290 3.771 2.881 4.289 . 0 0 "[ . 1 . 2]" 1
603 1 72 LEU MD2 1 78 PHE HB2 3.960 . 3.960 2.779 2.120 3.718 . 0 0 "[ . 1 . 2]" 1
604 1 72 LEU MD2 1 78 PHE HB3 4.100 . 4.100 3.116 2.663 4.105 0.005 17 0 "[ . 1 . 2]" 1
605 1 73 GLN H 1 73 GLN HB2 3.030 . 3.030 2.374 2.017 2.527 . 0 0 "[ . 1 . 2]" 1
606 1 73 GLN H 1 73 GLN QB 2.860 . 2.860 2.274 1.996 2.481 . 0 0 "[ . 1 . 2]" 1
607 1 73 GLN H 1 73 GLN HB3 3.530 . 3.530 3.124 2.412 3.606 0.076 12 0 "[ . 1 . 2]" 1
608 1 73 GLN H 1 73 GLN HG2 4.490 . 4.490 3.432 2.285 4.429 . 0 0 "[ . 1 . 2]" 1
609 1 73 GLN H 1 73 GLN QG 3.830 . 3.830 3.009 2.117 3.882 0.052 17 0 "[ . 1 . 2]" 1
610 1 73 GLN H 1 73 GLN HG3 4.490 . 4.490 3.768 2.142 4.368 . 0 0 "[ . 1 . 2]" 1
611 1 73 GLN H 1 74 GLY H 3.370 . 3.370 2.645 2.440 2.774 . 0 0 "[ . 1 . 2]" 1
612 1 73 GLN H 1 74 GLY QA 4.710 . 4.710 4.555 4.357 4.675 . 0 0 "[ . 1 . 2]" 1
613 1 73 GLN HA 1 73 GLN QE 5.120 . 5.120 3.916 2.487 4.769 . 0 0 "[ . 1 . 2]" 1
614 1 73 GLN HA 1 73 GLN HG2 3.870 . 3.870 2.998 2.491 3.559 . 0 0 "[ . 1 . 2]" 1
615 1 73 GLN HA 1 73 GLN QG 3.320 . 3.320 2.618 2.315 3.111 . 0 0 "[ . 1 . 2]" 1
616 1 73 GLN HA 1 73 GLN HG3 3.870 . 3.870 3.075 2.401 3.796 . 0 0 "[ . 1 . 2]" 1
617 1 73 GLN HA 1 75 HIS H 4.190 . 4.190 3.958 3.434 4.318 0.128 17 0 "[ . 1 . 2]" 1
618 1 73 GLN QB 1 74 GLY H 3.400 . 3.400 2.710 2.443 3.014 . 0 0 "[ . 1 . 2]" 1
619 1 73 GLN HB2 1 74 GLY H 3.870 . 3.870 3.260 2.506 3.903 0.033 7 0 "[ . 1 . 2]" 1
620 1 73 GLN HB3 1 74 GLY H 3.690 . 3.690 3.288 2.573 3.776 0.086 13 0 "[ . 1 . 2]" 1
621 1 73 GLN HB3 1 74 GLY QA 4.520 . 4.520 4.048 3.835 4.269 . 0 0 "[ . 1 . 2]" 1
622 1 73 GLN QG 1 74 GLY H 4.760 . 4.760 4.050 3.512 4.628 . 0 0 "[ . 1 . 2]" 1
623 1 74 GLY H 1 75 HIS H 3.210 . 3.210 2.392 2.122 2.582 . 0 0 "[ . 1 . 2]" 1
624 1 74 GLY QA 1 75 HIS H 3.380 . 3.380 2.870 2.740 2.921 . 0 0 "[ . 1 . 2]" 1
625 1 74 GLY QA 1 76 PRO QD 4.140 . 4.140 3.749 3.211 4.073 . 0 0 "[ . 1 . 2]" 1
626 1 75 HIS H 1 75 HIS HB2 3.940 . 3.940 3.079 2.700 3.956 0.016 12 0 "[ . 1 . 2]" 1
627 1 75 HIS H 1 75 HIS QB 3.560 . 3.560 2.870 2.646 3.379 . 0 0 "[ . 1 . 2]" 1
628 1 75 HIS H 1 75 HIS HB3 3.940 . 3.940 3.723 2.942 4.008 0.068 18 0 "[ . 1 . 2]" 1
629 1 75 HIS H 1 76 PRO HD2 4.170 . 4.170 3.996 3.431 4.219 0.049 15 0 "[ . 1 . 2]" 1
630 1 75 HIS H 1 76 PRO QD 3.450 . 3.450 2.947 2.222 3.273 . 0 0 "[ . 1 . 2]" 1
631 1 75 HIS H 1 76 PRO HD3 4.170 . 4.170 3.041 2.250 3.416 . 0 0 "[ . 1 . 2]" 1
632 1 75 HIS H 1 76 PRO QG 5.010 . 5.010 4.809 4.175 5.099 0.089 1 0 "[ . 1 . 2]" 1
633 1 75 HIS HA 1 76 PRO HD2 3.460 . 3.460 2.190 1.972 2.501 . 0 0 "[ . 1 . 2]" 1
634 1 75 HIS HA 1 76 PRO HD3 3.460 . 3.460 2.619 2.148 2.989 . 0 0 "[ . 1 . 2]" 1
635 1 75 HIS HA 1 76 PRO QG 4.300 . 4.300 3.964 3.808 4.224 . 0 0 "[ . 1 . 2]" 1
636 1 75 HIS HA 1 77 GLU H 4.100 . 4.100 3.317 2.870 4.247 0.147 17 0 "[ . 1 . 2]" 1
637 1 76 PRO HA 1 78 PHE H 4.720 . 4.720 3.853 3.228 4.801 0.081 12 0 "[ . 1 . 2]" 1
638 1 76 PRO QB 1 77 GLU H 4.080 . 4.080 3.476 2.001 3.887 . 0 0 "[ . 1 . 2]" 1
639 1 76 PRO QD 1 77 GLU H 3.820 . 3.820 2.689 2.095 3.012 . 0 0 "[ . 1 . 2]" 1
640 1 76 PRO HD2 1 77 GLU H 4.210 . 4.210 2.744 2.112 3.098 . 0 0 "[ . 1 . 2]" 1
641 1 76 PRO HD3 1 77 GLU H 4.210 . 4.210 3.888 3.482 4.114 . 0 0 "[ . 1 . 2]" 1
642 1 76 PRO QG 1 77 GLU H 3.360 . 3.360 3.110 2.179 3.435 0.075 20 0 "[ . 1 . 2]" 1
643 1 77 GLU H 1 77 GLU HB2 4.150 . 4.150 3.146 2.475 3.964 . 0 0 "[ . 1 . 2]" 1
644 1 77 GLU H 1 77 GLU QB 3.470 . 3.470 2.841 2.433 3.477 0.007 20 0 "[ . 1 . 2]" 1
645 1 77 GLU H 1 77 GLU HB3 4.150 . 4.150 3.595 2.708 4.180 0.030 20 0 "[ . 1 . 2]" 1
646 1 77 GLU H 1 77 GLU QG 3.530 . 3.530 2.441 1.858 3.237 . 0 0 "[ . 1 . 2]" 1
647 1 77 GLU H 1 78 PHE H 3.340 . 3.340 2.462 1.759 3.302 . 0 0 "[ . 1 . 2]" 1
648 1 77 GLU H 1 78 PHE QB 4.980 . 4.980 4.371 3.249 5.102 0.122 17 0 "[ . 1 . 2]" 1
649 1 77 GLU H 1 78 PHE QD 4.630 . 4.630 3.625 2.097 4.692 0.062 17 0 "[ . 1 . 2]" 1
650 1 77 GLU HA 1 77 GLU QG 3.480 . 3.480 2.863 2.270 3.363 . 0 0 "[ . 1 . 2]" 1
651 1 77 GLU QB 1 78 PHE H 4.260 . 4.260 3.373 2.376 3.966 . 0 0 "[ . 1 . 2]" 1
652 1 77 GLU QB 1 78 PHE QD 4.060 . 4.060 3.308 2.171 4.092 0.032 14 0 "[ . 1 . 2]" 1
653 1 77 GLU QG 1 78 PHE H 4.470 . 4.470 4.005 2.989 4.523 0.053 18 0 "[ . 1 . 2]" 1
654 1 77 GLU QG 1 78 PHE QD 4.860 . 4.860 3.985 2.079 4.954 0.094 13 0 "[ . 1 . 2]" 1
655 1 78 PHE H 1 78 PHE HB2 3.500 . 3.500 2.457 2.120 2.580 . 0 0 "[ . 1 . 2]" 1
656 1 78 PHE H 1 78 PHE QB 3.350 . 3.350 2.421 2.102 2.534 . 0 0 "[ . 1 . 2]" 1
657 1 78 PHE H 1 78 PHE HB3 3.700 . 3.700 3.647 3.450 3.712 0.012 11 0 "[ . 1 . 2]" 1
658 1 78 PHE H 1 78 PHE QD 3.560 . 3.560 2.707 2.180 3.229 . 0 0 "[ . 1 . 2]" 1
659 1 78 PHE HA 1 79 ALA H 3.260 . 3.260 2.196 2.059 2.393 . 0 0 "[ . 1 . 2]" 1
660 1 78 PHE HA 1 79 ALA MB 4.280 . 4.280 3.866 3.767 3.917 . 0 0 "[ . 1 . 2]" 1
661 1 78 PHE QB 1 79 ALA H 4.370 . 4.370 2.734 2.326 3.187 . 0 0 "[ . 1 . 2]" 1
662 1 78 PHE HB2 1 79 ALA H 4.290 . 4.290 3.951 3.517 4.265 . 0 0 "[ . 1 . 2]" 1
663 1 78 PHE HB3 1 79 ALA H 4.070 . 4.070 2.789 2.360 3.291 . 0 0 "[ . 1 . 2]" 1
664 1 78 PHE QD 1 79 ALA H 4.460 . 4.460 3.785 3.285 4.076 . 0 0 "[ . 1 . 2]" 1
665 1 79 ALA H 1 79 ALA MB 3.420 . 3.420 2.524 2.321 2.620 . 0 0 "[ . 1 . 2]" 1
666 1 79 ALA HA 1 80 VAL H 3.130 . 3.130 2.451 2.312 2.629 . 0 0 "[ . 1 . 2]" 1
667 1 79 ALA HA 1 80 VAL QG 4.210 . 4.210 3.816 3.447 4.088 . 0 0 "[ . 1 . 2]" 1
668 1 79 ALA MB 1 80 VAL H 3.260 . 3.260 2.348 2.158 2.601 . 0 0 "[ . 1 . 2]" 1
669 1 79 ALA MB 1 80 VAL HA 4.690 . 4.690 4.257 4.164 4.331 . 0 0 "[ . 1 . 2]" 1
670 1 79 ALA MB 1 80 VAL QG 3.880 . 3.880 3.280 2.990 3.859 . 0 0 "[ . 1 . 2]" 1
671 1 80 VAL H 1 80 VAL HB 3.580 . 3.580 2.791 2.521 3.633 0.053 2 0 "[ . 1 . 2]" 1
672 1 80 VAL H 1 80 VAL MG1 4.030 . 4.030 2.278 1.844 3.788 . 0 0 "[ . 1 . 2]" 1
673 1 80 VAL H 1 80 VAL QG 3.180 . 3.180 1.968 1.840 2.150 . 0 0 "[ . 1 . 2]" 1
674 1 80 VAL H 1 80 VAL MG2 4.030 . 4.030 3.277 2.012 3.814 . 0 0 "[ . 1 . 2]" 1
675 1 80 VAL HA 1 80 VAL MG1 3.600 . 3.600 2.983 2.354 3.243 . 0 0 "[ . 1 . 2]" 1
676 1 80 VAL HA 1 80 VAL MG2 3.600 . 3.600 2.555 2.407 3.240 . 0 0 "[ . 1 . 2]" 1
677 1 80 VAL HA 1 81 ASP H 3.380 . 3.380 2.198 2.137 2.261 . 0 0 "[ . 1 . 2]" 1
678 1 80 VAL HA 1 81 ASP HB2 4.860 . 4.860 4.630 4.437 4.737 . 0 0 "[ . 1 . 2]" 1
679 1 80 VAL HB 1 81 ASP H 4.930 . 4.930 3.882 2.606 4.130 . 0 0 "[ . 1 . 2]" 1
680 1 80 VAL HB 1 85 LEU MD2 4.040 . 4.040 3.738 2.286 4.093 0.053 11 0 "[ . 1 . 2]" 1
681 1 80 VAL QG 1 81 ASP H 3.350 . 3.350 2.587 2.381 3.339 . 0 0 "[ . 1 . 2]" 1
682 1 80 VAL QG 1 82 PRO HA 4.650 . 4.650 3.922 3.604 4.499 . 0 0 "[ . 1 . 2]" 1
683 1 80 VAL QG 1 84 PHE HB3 4.120 . 4.120 3.160 2.366 4.152 0.032 2 0 "[ . 1 . 2]" 1
684 1 80 VAL QG 1 84 PHE QD 3.750 . 3.750 2.788 2.221 3.752 0.002 1 0 "[ . 1 . 2]" 1
685 1 80 VAL QG 1 85 LEU H 4.430 . 4.430 3.691 3.353 4.207 . 0 0 "[ . 1 . 2]" 1
686 1 80 VAL QG 1 85 LEU QB 3.890 . 3.890 3.678 2.697 3.981 0.091 20 0 "[ . 1 . 2]" 1
687 1 80 VAL QG 1 85 LEU MD2 3.050 . 3.050 1.970 1.862 2.392 . 0 0 "[ . 1 . 2]" 1
688 1 80 VAL QG 1 85 LEU HG 3.980 . 3.980 2.646 2.272 3.755 . 0 0 "[ . 1 . 2]" 1
689 1 80 VAL MG1 1 81 ASP H 4.130 . 4.130 3.706 2.496 4.039 . 0 0 "[ . 1 . 2]" 1
690 1 80 VAL MG1 1 85 LEU MD2 3.940 . 3.940 2.331 1.897 3.745 . 0 0 "[ . 1 . 2]" 1
691 1 80 VAL MG2 1 81 ASP H 4.130 . 4.130 2.879 2.400 4.038 . 0 0 "[ . 1 . 2]" 1
692 1 80 VAL MG2 1 85 LEU MD2 3.940 . 3.940 2.455 1.943 3.858 . 0 0 "[ . 1 . 2]" 1
693 1 81 ASP H 1 81 ASP HB2 3.750 . 3.750 2.623 2.355 2.822 . 0 0 "[ . 1 . 2]" 1
694 1 81 ASP H 1 81 ASP QB 3.540 . 3.540 2.214 2.107 2.279 . 0 0 "[ . 1 . 2]" 1
695 1 81 ASP H 1 81 ASP HB3 3.880 . 3.880 2.399 2.175 2.558 . 0 0 "[ . 1 . 2]" 1
696 1 81 ASP HA 1 82 PRO QD 3.100 . 3.100 1.913 1.841 2.006 . 0 0 "[ . 1 . 2]" 1
697 1 81 ASP HA 1 82 PRO QG 4.480 . 4.480 3.803 3.711 3.904 . 0 0 "[ . 1 . 2]" 1
698 1 81 ASP QB 1 83 ARG H 4.460 . 4.460 3.806 3.677 3.953 . 0 0 "[ . 1 . 2]" 1
699 1 81 ASP HB2 1 82 PRO QD 5.060 . 5.060 3.712 3.511 3.923 . 0 0 "[ . 1 . 2]" 1
700 1 81 ASP HB2 1 84 PHE H 4.680 . 4.680 4.346 4.184 4.496 . 0 0 "[ . 1 . 2]" 1
701 1 81 ASP HB2 1 84 PHE HB3 4.680 . 4.680 4.474 3.993 4.705 0.025 2 0 "[ . 1 . 2]" 1
702 1 81 ASP HB3 1 84 PHE H 4.500 . 4.500 3.072 2.852 3.211 . 0 0 "[ . 1 . 2]" 1
703 1 81 ASP HB3 1 84 PHE HB2 4.200 . 4.200 2.785 2.362 3.075 . 0 0 "[ . 1 . 2]" 1
704 1 81 ASP HB3 1 84 PHE HB3 4.200 . 4.200 2.743 2.258 3.019 . 0 0 "[ . 1 . 2]" 1
705 1 82 PRO HA 1 84 PHE H 4.790 . 4.790 4.398 4.162 4.704 . 0 0 "[ . 1 . 2]" 1
706 1 82 PRO HA 1 85 LEU H 3.730 . 3.730 3.273 3.053 3.584 . 0 0 "[ . 1 . 2]" 1
707 1 82 PRO HA 1 85 LEU HB2 4.690 . 4.690 2.920 2.177 4.736 0.046 13 0 "[ . 1 . 2]" 1
708 1 82 PRO HA 1 85 LEU HB3 4.690 . 4.690 4.092 3.735 4.543 . 0 0 "[ . 1 . 2]" 1
709 1 82 PRO HA 1 85 LEU MD1 3.490 . 3.490 2.132 2.001 2.405 . 0 0 "[ . 1 . 2]" 1
710 1 82 PRO HA 1 85 LEU MD2 4.290 . 4.290 3.854 2.426 4.307 0.017 1 0 "[ . 1 . 2]" 1
711 1 82 PRO HA 1 85 LEU HG 3.970 . 3.970 2.570 1.997 2.808 . 0 0 "[ . 1 . 2]" 1
712 1 82 PRO HA 1 86 ALA H 4.470 . 4.470 4.116 3.734 4.495 0.025 15 0 "[ . 1 . 2]" 1
713 1 82 PRO QB 1 83 ARG H 4.410 . 4.410 3.135 2.746 3.499 . 0 0 "[ . 1 . 2]" 1
714 1 82 PRO HB2 1 83 ARG QB 5.060 . 5.060 4.425 3.914 5.080 0.020 4 0 "[ . 1 . 2]" 1
715 1 82 PRO HB2 1 85 LEU MD1 4.830 . 4.830 4.246 3.537 4.751 . 0 0 "[ . 1 . 2]" 1
716 1 82 PRO HB3 1 85 LEU MD1 3.970 . 3.970 3.284 3.001 3.530 . 0 0 "[ . 1 . 2]" 1
717 1 82 PRO HB3 1 85 LEU HG 4.900 . 4.900 4.750 4.176 4.924 0.024 15 0 "[ . 1 . 2]" 1
718 1 82 PRO QD 1 83 ARG H 3.920 . 3.920 2.747 2.610 3.105 . 0 0 "[ . 1 . 2]" 1
719 1 82 PRO QG 1 83 ARG H 4.500 . 4.500 3.324 2.563 4.001 . 0 0 "[ . 1 . 2]" 1
720 1 83 ARG H 1 83 ARG QB 3.630 . 3.630 2.252 2.030 2.410 . 0 0 "[ . 1 . 2]" 1
721 1 83 ARG H 1 83 ARG QG 4.090 . 4.090 3.680 2.314 4.078 . 0 0 "[ . 1 . 2]" 1
722 1 83 ARG H 1 84 PHE H 3.640 . 3.640 2.433 2.253 2.664 . 0 0 "[ . 1 . 2]" 1
723 1 83 ARG H 1 84 PHE QB 4.620 . 4.620 4.194 3.998 4.330 . 0 0 "[ . 1 . 2]" 1
724 1 83 ARG H 1 84 PHE HB3 5.290 . 5.290 4.601 4.320 4.806 . 0 0 "[ . 1 . 2]" 1
725 1 83 ARG HA 1 83 ARG QG 3.890 . 3.890 2.582 2.240 3.037 . 0 0 "[ . 1 . 2]" 1
726 1 83 ARG HA 1 85 LEU H 5.230 . 5.230 4.273 3.826 4.689 . 0 0 "[ . 1 . 2]" 1
727 1 83 ARG HA 1 86 ALA H 4.570 . 4.570 3.192 2.655 3.586 . 0 0 "[ . 1 . 2]" 1
728 1 83 ARG HA 1 86 ALA MB 3.450 . 3.450 2.529 2.220 2.884 . 0 0 "[ . 1 . 2]" 1
729 1 83 ARG HA 1 87 TYR H 5.190 . 5.190 4.253 3.926 5.113 . 0 0 "[ . 1 . 2]" 1
730 1 83 ARG QG 1 84 PHE H 5.500 . 5.500 3.756 3.172 4.601 . 0 0 "[ . 1 . 2]" 1
731 1 83 ARG QG 1 86 ALA MB 4.050 . 4.050 3.643 3.090 4.129 0.079 2 0 "[ . 1 . 2]" 1
732 1 84 PHE H 1 84 PHE HB2 3.790 . 3.790 2.562 2.495 2.693 . 0 0 "[ . 1 . 2]" 1
733 1 84 PHE H 1 85 LEU H 4.050 . 4.050 2.641 2.408 2.912 . 0 0 "[ . 1 . 2]" 1
734 1 84 PHE H 1 85 LEU HG 5.500 . 5.500 4.419 4.043 4.681 . 0 0 "[ . 1 . 2]" 1
735 1 84 PHE HA 1 84 PHE QD 4.080 . 4.080 2.713 2.507 2.860 . 0 0 "[ . 1 . 2]" 1
736 1 84 PHE HB3 1 85 LEU H 4.630 . 4.630 2.643 2.362 2.817 . 0 0 "[ . 1 . 2]" 1
737 1 84 PHE QD 1 85 LEU MD2 4.030 . 4.030 3.274 2.643 4.061 0.031 12 0 "[ . 1 . 2]" 1
738 1 84 PHE QD 1 85 LEU HG 4.820 . 4.820 4.140 3.619 4.573 . 0 0 "[ . 1 . 2]" 1
739 1 84 PHE QE 1 85 LEU MD2 5.500 . 5.500 4.525 3.687 5.518 0.018 12 0 "[ . 1 . 2]" 1
740 1 85 LEU H 1 85 LEU MD1 4.290 . 4.290 3.659 3.341 3.778 . 0 0 "[ . 1 . 2]" 1
741 1 85 LEU H 1 85 LEU MD2 4.340 . 4.340 3.301 3.166 3.451 . 0 0 "[ . 1 . 2]" 1
742 1 85 LEU H 1 85 LEU HG 3.840 . 3.840 2.310 1.991 2.496 . 0 0 "[ . 1 . 2]" 1
743 1 85 LEU HA 1 85 LEU MD2 3.770 . 3.770 2.422 2.008 3.928 0.158 4 0 "[ . 1 . 2]" 1
744 1 85 LEU QB 1 85 LEU MD1 3.140 . 3.140 2.103 2.063 2.190 . 0 0 "[ . 1 . 2]" 1
745 1 85 LEU QB 1 86 ALA H 4.050 . 4.050 2.779 2.275 3.710 . 0 0 "[ . 1 . 2]" 1
746 1 85 LEU HB2 1 86 ALA H 4.410 . 4.410 2.887 2.313 4.021 . 0 0 "[ . 1 . 2]" 1
747 1 85 LEU HB3 1 86 ALA H 4.410 . 4.410 3.748 3.379 4.353 . 0 0 "[ . 1 . 2]" 1
748 1 86 ALA H 1 86 ALA MB 3.030 . 3.030 2.245 2.218 2.280 . 0 0 "[ . 1 . 2]" 1
749 1 86 ALA H 1 87 TYR H 3.800 . 3.800 2.608 2.468 2.766 . 0 0 "[ . 1 . 2]" 1
750 1 86 ALA HA 1 87 TYR HA 5.070 . 5.070 4.803 4.662 4.944 . 0 0 "[ . 1 . 2]" 1
751 1 86 ALA HA 1 89 GLU QG 4.110 . 4.110 2.923 2.023 3.785 . 0 0 "[ . 1 . 2]" 1
752 1 86 ALA MB 1 87 TYR H 3.500 . 3.500 2.652 2.509 2.920 . 0 0 "[ . 1 . 2]" 1
753 1 86 ALA MB 1 87 TYR HA 4.200 . 4.200 3.916 3.773 4.009 . 0 0 "[ . 1 . 2]" 1
754 1 86 ALA MB 1 88 MET H 4.650 . 4.650 4.534 4.390 4.678 0.028 4 0 "[ . 1 . 2]" 1
755 1 86 ALA MB 1 89 GLU QG 4.410 . 4.410 4.132 3.397 4.503 0.093 13 0 "[ . 1 . 2]" 1
756 1 87 TYR H 1 87 TYR HB2 3.740 . 3.740 2.505 2.279 2.715 . 0 0 "[ . 1 . 2]" 1
757 1 87 TYR H 1 87 TYR QB 3.700 . 3.700 2.265 2.159 2.460 . 0 0 "[ . 1 . 2]" 1
758 1 87 TYR H 1 87 TYR HB3 3.740 . 3.740 2.772 2.324 3.662 . 0 0 "[ . 1 . 2]" 1
759 1 87 TYR H 1 87 TYR QD 4.150 . 4.150 3.840 2.264 4.187 0.037 12 0 "[ . 1 . 2]" 1
760 1 87 TYR H 1 88 MET H 4.170 . 4.170 2.640 2.451 2.844 . 0 0 "[ . 1 . 2]" 1
761 1 87 TYR HA 1 87 TYR QD 4.040 . 4.040 2.541 2.211 2.904 . 0 0 "[ . 1 . 2]" 1
762 1 87 TYR HA 1 87 TYR QE 4.470 . 4.470 4.494 4.288 4.570 0.100 20 0 "[ . 1 . 2]" 1
763 1 87 TYR HA 1 90 ASP H 4.930 . 4.930 3.374 3.046 3.790 . 0 0 "[ . 1 . 2]" 1
764 1 87 TYR HA 1 90 ASP HB2 4.220 . 4.220 3.169 2.140 4.244 0.024 10 0 "[ . 1 . 2]" 1
765 1 87 TYR HA 1 90 ASP HB3 4.220 . 4.220 2.746 2.048 4.100 . 0 0 "[ . 1 . 2]" 1
766 1 88 MET H 1 88 MET QB 3.660 . 3.660 2.368 2.180 2.653 . 0 0 "[ . 1 . 2]" 1
767 1 88 MET H 1 88 MET QG 4.510 . 4.510 3.129 2.221 4.069 . 0 0 "[ . 1 . 2]" 1
768 1 88 MET QB 1 89 GLU H 3.790 . 3.790 2.731 2.259 3.619 . 0 0 "[ . 1 . 2]" 1
769 1 88 MET HB2 1 89 GLU H 4.490 . 4.490 3.368 2.316 4.045 . 0 0 "[ . 1 . 2]" 1
770 1 88 MET HB3 1 89 GLU H 4.490 . 4.490 3.239 2.549 4.094 . 0 0 "[ . 1 . 2]" 1
771 1 89 GLU H 1 89 GLU QG 3.940 . 3.940 2.513 1.984 3.962 0.022 11 0 "[ . 1 . 2]" 1
772 1 89 GLU H 1 90 ASP H 4.170 . 4.170 2.494 2.359 2.726 . 0 0 "[ . 1 . 2]" 1
773 1 89 GLU QG 1 90 ASP H 4.080 . 4.080 3.615 2.336 4.169 0.089 14 0 "[ . 1 . 2]" 1
774 1 90 ASP H 1 90 ASP HB2 3.650 . 3.650 2.516 2.342 2.676 . 0 0 "[ . 1 . 2]" 1
775 1 90 ASP H 1 90 ASP QB 3.190 . 3.190 2.251 2.148 2.372 . 0 0 "[ . 1 . 2]" 1
776 1 90 ASP H 1 90 ASP HB3 3.650 . 3.650 2.622 2.262 3.617 . 0 0 "[ . 1 . 2]" 1
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