NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
492243 |
2k4b   |
15793 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4b
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 665
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 56.516
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0554
_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 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.207 0.105 13 0 "[ . 1 . 2]"
1 45 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 1.985 0.160 9 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.259 0.047 15 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.016 0.016 9 0 "[ . 1 . 2]"
1 65 TRP 0.016 0.016 9 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.039 0.039 8 0 "[ . 1 . 2]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.109 0.032 7 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.186 0.109 16 0 "[ . 1 . 2]"
1 81 GLU 0.186 0.109 16 0 "[ . 1 . 2]"
1 82 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.094 0.027 1 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.049 0.034 19 0 "[ . 1 . 2]"
1 92 PHE 0.049 0.034 19 0 "[ . 1 . 2]"
1 93 VAL 0.094 0.027 1 0 "[ . 1 . 2]"
1 94 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 . 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 36 ALA MB 1 65 TRP HH2 4.030 . 4.530 3.160 2.255 3.419 . 0 0 "[ . 1 . 2]" 1
2 1 36 ALA MB 1 73 LEU MD1 4.440 . 4.940 2.336 2.084 2.979 . 0 0 "[ . 1 . 2]" 1
3 1 36 ALA MB 1 73 LEU MD2 3.730 . 4.230 2.611 2.448 2.650 . 0 0 "[ . 1 . 2]" 1
4 1 36 ALA MB 1 73 LEU HG 4.200 . 4.700 2.824 2.206 3.496 . 0 0 "[ . 1 . 2]" 1
5 1 39 ILE HA 1 39 ILE MD 4.500 . 5.000 3.691 2.164 3.963 . 0 0 "[ . 1 . 2]" 1
6 1 39 ILE MD 1 39 ILE MG 3.280 . 3.780 2.117 2.048 2.301 . 0 0 "[ . 1 . 2]" 1
7 1 39 ILE MD 1 63 LEU MD1 4.180 . 4.680 2.657 2.137 3.010 . 0 0 "[ . 1 . 2]" 1
8 1 40 VAL HA 1 43 VAL H 4.160 . 4.660 3.818 3.358 4.181 . 0 0 "[ . 1 . 2]" 1
9 1 40 VAL HA 1 44 ILE H 4.180 . 4.680 4.117 3.606 4.287 . 0 0 "[ . 1 . 2]" 1
10 1 40 VAL HA 1 59 ILE MD 5.580 . 6.080 4.502 4.185 4.664 . 0 0 "[ . 1 . 2]" 1
11 1 40 VAL MG1 1 59 ILE MD 4.490 . 4.990 2.675 2.212 3.022 . 0 0 "[ . 1 . 2]" 1
12 1 40 VAL MG1 1 65 TRP HE3 5.980 . 6.480 4.635 3.742 5.063 . 0 0 "[ . 1 . 2]" 1
13 1 40 VAL MG1 1 65 TRP HH2 5.180 . 5.680 3.971 2.330 4.336 . 0 0 "[ . 1 . 2]" 1
14 1 40 VAL MG1 1 65 TRP HZ3 4.440 . 4.940 3.010 2.263 3.420 . 0 0 "[ . 1 . 2]" 1
15 1 40 VAL MG1 1 73 LEU MD1 4.200 . 4.700 2.537 2.125 2.925 . 0 0 "[ . 1 . 2]" 1
16 1 40 VAL MG2 1 77 LEU MD1 3.800 . 4.300 2.243 2.002 2.650 . 0 0 "[ . 1 . 2]" 1
17 1 40 VAL MG2 1 77 LEU MD2 3.820 . 4.320 2.634 2.415 2.730 . 0 0 "[ . 1 . 2]" 1
18 1 43 VAL H 1 44 ILE H 4.940 . 5.440 2.913 2.703 3.103 . 0 0 "[ . 1 . 2]" 1
19 1 43 VAL H 1 45 TRP H 5.000 . 5.500 4.335 3.988 4.579 . 0 0 "[ . 1 . 2]" 1
20 1 43 VAL HA 1 46 SER H 5.210 . 5.710 4.024 3.584 4.515 . 0 0 "[ . 1 . 2]" 1
21 1 43 VAL HA 1 47 LEU H 6.170 . 6.670 5.059 4.272 5.754 . 0 0 "[ . 1 . 2]" 1
22 1 43 VAL HB 1 44 ILE H 4.990 . 5.490 3.870 3.482 4.115 . 0 0 "[ . 1 . 2]" 1
23 1 43 VAL MG1 1 44 ILE H 5.020 . 5.520 3.279 1.963 4.023 . 0 0 "[ . 1 . 2]" 1
24 1 43 VAL MG2 1 44 ILE H 4.330 . 4.830 2.358 1.935 2.702 . 0 0 "[ . 1 . 2]" 1
25 1 43 VAL MG2 1 44 ILE QG 3.520 . 4.020 2.175 2.009 2.661 . 0 0 "[ . 1 . 2]" 1
26 1 43 VAL MG2 1 45 TRP H 5.370 . 5.870 4.503 4.212 4.582 . 0 0 "[ . 1 . 2]" 1
27 1 43 VAL MG2 1 58 GLN H 4.840 . 5.340 4.117 3.823 4.226 . 0 0 "[ . 1 . 2]" 1
28 1 43 VAL MG2 1 58 GLN HE21 5.080 . 5.580 3.705 2.544 4.334 . 0 0 "[ . 1 . 2]" 1
29 1 43 VAL MG2 1 58 GLN HE22 6.250 . 6.750 4.578 3.606 5.285 . 0 0 "[ . 1 . 2]" 1
30 1 43 VAL MG2 1 58 GLN QG 4.500 . 5.000 2.271 1.892 3.067 . 0 0 "[ . 1 . 2]" 1
31 1 43 VAL MG2 1 59 ILE H 6.130 . 6.630 5.129 4.889 5.260 . 0 0 "[ . 1 . 2]" 1
32 1 44 ILE H 1 44 ILE HB 4.050 . 4.550 2.530 2.301 3.581 . 0 0 "[ . 1 . 2]" 1
33 1 44 ILE H 1 44 ILE MD 3.940 . 4.440 3.321 3.104 3.373 . 0 0 "[ . 1 . 2]" 1
34 1 44 ILE H 1 44 ILE QG 4.050 . 4.550 1.954 1.695 2.194 0.105 13 0 "[ . 1 . 2]" 1
35 1 44 ILE H 1 45 TRP H 5.150 . 5.650 2.709 2.513 2.918 . 0 0 "[ . 1 . 2]" 1
36 1 44 ILE H 1 46 SER H 5.280 . 5.780 4.240 3.934 4.498 . 0 0 "[ . 1 . 2]" 1
37 1 44 ILE HA 1 47 LEU H 4.540 . 5.040 3.557 2.883 4.106 . 0 0 "[ . 1 . 2]" 1
38 1 44 ILE HA 1 47 LEU HB2 5.940 . 6.440 3.109 2.295 3.800 . 0 0 "[ . 1 . 2]" 1
39 1 44 ILE HB 1 45 TRP H 4.680 . 5.180 2.764 2.465 3.979 . 0 0 "[ . 1 . 2]" 1
40 1 44 ILE HB 1 46 SER H 5.900 . 6.400 4.940 4.763 5.134 . 0 0 "[ . 1 . 2]" 1
41 1 44 ILE MD 1 44 ILE MG 3.490 . 3.990 2.150 2.105 2.264 . 0 0 "[ . 1 . 2]" 1
42 1 44 ILE MD 1 45 TRP H 6.190 . 6.690 4.541 4.282 4.859 . 0 0 "[ . 1 . 2]" 1
43 1 44 ILE QG 1 45 TRP H 4.990 . 5.490 3.948 2.699 4.210 . 0 0 "[ . 1 . 2]" 1
44 1 44 ILE QG 1 46 SER H 5.950 . 6.450 5.325 4.751 5.408 . 0 0 "[ . 1 . 2]" 1
45 1 44 ILE QG 1 58 GLN QG 6.250 . 6.750 4.834 3.534 5.082 . 0 0 "[ . 1 . 2]" 1
46 1 44 ILE MG 1 45 TRP H 5.220 . 5.720 3.512 3.193 4.255 . 0 0 "[ . 1 . 2]" 1
47 1 44 ILE MG 1 46 SER H 5.450 . 5.950 4.647 4.601 4.768 . 0 0 "[ . 1 . 2]" 1
48 1 44 ILE MG 1 50 ALA H 5.360 . 5.860 3.448 2.661 4.500 . 0 0 "[ . 1 . 2]" 1
49 1 45 TRP H 1 45 TRP HD1 6.040 . 6.540 4.751 4.435 5.126 . 0 0 "[ . 1 . 2]" 1
50 1 45 TRP H 1 46 SER H 4.820 . 5.320 2.694 2.507 2.909 . 0 0 "[ . 1 . 2]" 1
51 1 45 TRP H 1 46 SER QB 5.170 . 5.670 4.480 4.269 4.639 . 0 0 "[ . 1 . 2]" 1
52 1 45 TRP HA 1 45 TRP HD1 4.910 . 5.410 3.970 2.827 4.649 . 0 0 "[ . 1 . 2]" 1
53 1 45 TRP HB2 1 46 SER H 4.740 . 5.240 4.193 3.998 4.314 . 0 0 "[ . 1 . 2]" 1
54 1 45 TRP HB3 1 46 SER H 4.670 . 5.170 3.033 2.817 3.252 . 0 0 "[ . 1 . 2]" 1
55 1 45 TRP HD1 1 46 SER H 5.720 . 6.220 4.021 3.537 5.151 . 0 0 "[ . 1 . 2]" 1
56 1 45 TRP HE1 1 46 SER QB 6.080 . 6.580 5.476 5.381 5.514 . 0 0 "[ . 1 . 2]" 1
57 1 46 SER H 1 46 SER QB 3.720 . 4.220 2.340 2.186 2.618 . 0 0 "[ . 1 . 2]" 1
58 1 46 SER H 1 47 LEU H 3.690 . 4.190 2.397 2.212 2.595 . 0 0 "[ . 1 . 2]" 1
59 1 46 SER H 1 48 GLY H 6.110 . 6.610 4.141 3.788 4.639 . 0 0 "[ . 1 . 2]" 1
60 1 46 SER QB 1 47 LEU H 4.090 . 4.590 2.711 2.178 3.617 . 0 0 "[ . 1 . 2]" 1
61 1 46 SER QB 1 47 LEU MD1 5.710 . 6.210 4.238 3.755 4.337 . 0 0 "[ . 1 . 2]" 1
62 1 47 LEU H 1 47 LEU MD1 4.320 . 4.820 3.445 2.224 3.739 . 0 0 "[ . 1 . 2]" 1
63 1 47 LEU H 1 47 LEU MD2 4.730 . 5.230 4.030 3.785 4.105 . 0 0 "[ . 1 . 2]" 1
64 1 47 LEU H 1 47 LEU HG 4.870 . 5.370 3.800 2.992 4.408 . 0 0 "[ . 1 . 2]" 1
65 1 47 LEU H 1 48 GLY H 4.360 . 4.860 2.647 2.403 2.913 . 0 0 "[ . 1 . 2]" 1
66 1 47 LEU H 1 49 GLU H 5.760 . 6.260 5.369 4.937 5.817 . 0 0 "[ . 1 . 2]" 1
67 1 47 LEU HA 1 47 LEU MD1 4.570 . 5.070 3.352 2.085 3.800 . 0 0 "[ . 1 . 2]" 1
68 1 47 LEU HA 1 47 LEU MD2 4.290 . 4.790 2.855 2.088 3.698 . 0 0 "[ . 1 . 2]" 1
69 1 47 LEU HB3 1 48 GLY H 4.560 . 5.060 2.452 2.125 2.776 . 0 0 "[ . 1 . 2]" 1
70 1 47 LEU HB3 1 49 GLU H 5.140 . 5.640 3.319 2.503 4.292 . 0 0 "[ . 1 . 2]" 1
71 1 47 LEU MD1 1 48 GLY H 5.450 . 5.950 4.425 3.792 4.604 . 0 0 "[ . 1 . 2]" 1
72 1 47 LEU MD1 1 49 GLU H 6.190 . 6.690 4.968 4.461 5.192 . 0 0 "[ . 1 . 2]" 1
73 1 47 LEU MD1 1 58 GLN HE21 5.180 . 5.680 3.957 2.670 4.350 . 0 0 "[ . 1 . 2]" 1
74 1 47 LEU MD1 1 58 GLN HE22 5.550 . 6.050 3.624 2.769 4.486 . 0 0 "[ . 1 . 2]" 1
75 1 47 LEU MD2 1 48 GLY H 4.520 . 5.020 3.773 3.369 3.942 . 0 0 "[ . 1 . 2]" 1
76 1 47 LEU MD2 1 49 GLU H 4.630 . 5.130 3.182 2.330 3.858 . 0 0 "[ . 1 . 2]" 1
77 1 47 LEU HG 1 48 GLY H 5.000 . 5.500 4.651 4.043 4.959 . 0 0 "[ . 1 . 2]" 1
78 1 48 GLY H 1 49 GLU H 4.350 . 4.850 3.171 2.401 3.702 . 0 0 "[ . 1 . 2]" 1
79 1 48 GLY HA2 1 49 GLU H 3.550 . 4.050 3.573 3.530 3.623 . 0 0 "[ . 1 . 2]" 1
80 1 49 GLU H 1 49 GLU HB2 3.860 . 4.360 3.444 2.595 3.954 . 0 0 "[ . 1 . 2]" 1
81 1 49 GLU H 1 49 GLU HB3 4.190 . 4.690 3.144 2.589 3.791 . 0 0 "[ . 1 . 2]" 1
82 1 49 GLU H 1 49 GLU QG 4.360 . 4.860 3.405 2.607 4.055 . 0 0 "[ . 1 . 2]" 1
83 1 49 GLU H 1 50 ALA H 4.660 . 5.160 4.217 3.880 4.456 . 0 0 "[ . 1 . 2]" 1
84 1 49 GLU H 1 50 ALA MB 5.530 . 6.030 4.389 4.042 4.626 . 0 0 "[ . 1 . 2]" 1
85 1 49 GLU HA 1 93 VAL QG 6.030 . 6.530 3.439 2.881 4.109 . 0 0 "[ . 1 . 2]" 1
86 1 49 GLU HA 1 94 TYR H 5.630 . 6.130 4.723 4.155 5.646 . 0 0 "[ . 1 . 2]" 1
87 1 49 GLU HA 1 95 ARG HA 4.430 . 4.930 3.031 2.719 3.409 . 0 0 "[ . 1 . 2]" 1
88 1 49 GLU HB2 1 50 ALA H 4.380 . 4.880 3.776 2.724 4.441 . 0 0 "[ . 1 . 2]" 1
89 1 49 GLU HB2 1 94 TYR H 6.250 . 6.750 5.580 4.032 6.364 . 0 0 "[ . 1 . 2]" 1
90 1 49 GLU HB3 1 93 VAL QG 5.280 . 5.780 3.433 2.007 4.037 . 0 0 "[ . 1 . 2]" 1
91 1 49 GLU QG 1 50 ALA H 4.740 . 5.240 3.577 2.261 4.250 . 0 0 "[ . 1 . 2]" 1
92 1 49 GLU QG 1 93 VAL QG 3.830 . 4.330 2.307 1.809 2.584 . 0 0 "[ . 1 . 2]" 1
93 1 50 ALA H 1 51 ARG H 4.900 . 5.400 4.455 4.074 4.578 . 0 0 "[ . 1 . 2]" 1
94 1 50 ALA H 1 93 VAL HA 5.160 . 5.660 4.435 4.144 4.693 . 0 0 "[ . 1 . 2]" 1
95 1 50 ALA H 1 93 VAL QG 4.390 . 4.890 3.050 2.786 3.260 . 0 0 "[ . 1 . 2]" 1
96 1 50 ALA H 1 94 TYR H 4.900 . 5.400 3.097 2.768 3.634 . 0 0 "[ . 1 . 2]" 1
97 1 50 ALA H 1 94 TYR HB2 5.650 . 6.150 3.670 3.380 4.098 . 0 0 "[ . 1 . 2]" 1
98 1 50 ALA H 1 94 TYR HB3 5.460 . 5.960 4.704 4.450 4.997 . 0 0 "[ . 1 . 2]" 1
99 1 50 ALA H 1 94 TYR QD 6.250 . 6.750 5.112 4.837 5.517 . 0 0 "[ . 1 . 2]" 1
100 1 50 ALA H 1 94 TYR O 2.000 . 2.500 1.998 1.916 2.047 . 0 0 "[ . 1 . 2]" 1
101 1 50 ALA MB 1 51 ARG H 4.070 . 4.570 2.804 2.485 3.231 . 0 0 "[ . 1 . 2]" 1
102 1 50 ALA MB 1 54 GLU H 5.380 . 5.880 4.463 4.279 4.545 . 0 0 "[ . 1 . 2]" 1
103 1 50 ALA MB 1 94 TYR H 5.660 . 6.160 3.821 3.327 4.117 . 0 0 "[ . 1 . 2]" 1
104 1 50 ALA N 1 94 TYR O 3.000 . 3.500 2.997 2.916 3.035 . 0 0 "[ . 1 . 2]" 1
105 1 51 ARG H 1 51 ARG HB2 4.190 . 4.690 2.619 2.302 3.950 . 0 0 "[ . 1 . 2]" 1
106 1 51 ARG H 1 51 ARG HD2 5.190 . 5.690 3.436 1.870 5.224 . 0 0 "[ . 1 . 2]" 1
107 1 51 ARG H 1 51 ARG HD3 5.210 . 5.710 3.637 1.904 5.245 . 0 0 "[ . 1 . 2]" 1
108 1 51 ARG H 1 51 ARG QG 4.190 . 4.690 3.208 2.293 3.782 . 0 0 "[ . 1 . 2]" 1
109 1 51 ARG H 1 52 VAL H 5.680 . 6.180 4.651 4.555 4.758 . 0 0 "[ . 1 . 2]" 1
110 1 51 ARG H 1 53 ASP H 6.250 . 6.750 5.241 4.747 5.550 . 0 0 "[ . 1 . 2]" 1
111 1 51 ARG H 1 54 GLU H 5.070 . 5.570 3.751 3.273 4.149 . 0 0 "[ . 1 . 2]" 1
112 1 51 ARG H 1 54 GLU HB2 4.680 . 5.180 2.308 1.841 2.952 . 0 0 "[ . 1 . 2]" 1
113 1 51 ARG H 1 54 GLU HB3 4.510 . 5.010 2.444 1.904 3.287 . 0 0 "[ . 1 . 2]" 1
114 1 51 ARG H 1 54 GLU HG2 4.690 . 5.190 3.982 3.491 4.678 . 0 0 "[ . 1 . 2]" 1
115 1 51 ARG H 1 55 ILE MD 6.250 . 6.750 5.238 5.176 5.299 . 0 0 "[ . 1 . 2]" 1
116 1 51 ARG H 1 55 ILE MG 5.310 . 5.810 3.948 3.539 4.348 . 0 0 "[ . 1 . 2]" 1
117 1 51 ARG H 1 93 VAL HA 5.150 . 5.650 4.668 4.418 4.921 . 0 0 "[ . 1 . 2]" 1
118 1 51 ARG H 1 93 VAL QG 5.890 . 6.390 4.192 3.698 4.404 . 0 0 "[ . 1 . 2]" 1
119 1 51 ARG HA 1 51 ARG HD2 5.080 . 5.580 3.602 2.825 4.522 . 0 0 "[ . 1 . 2]" 1
120 1 51 ARG HA 1 51 ARG HD3 4.960 . 5.460 4.171 2.230 4.573 . 0 0 "[ . 1 . 2]" 1
121 1 51 ARG HA 1 53 ASP H 4.940 . 5.440 4.574 4.371 4.808 . 0 0 "[ . 1 . 2]" 1
122 1 51 ARG HA 1 92 PHE H 5.910 . 6.410 4.721 4.282 4.968 . 0 0 "[ . 1 . 2]" 1
123 1 51 ARG HA 1 93 VAL HA 5.260 . 5.760 2.401 1.937 2.970 . 0 0 "[ . 1 . 2]" 1
124 1 51 ARG HA 1 93 VAL QG 4.180 . 4.680 3.113 2.936 3.205 . 0 0 "[ . 1 . 2]" 1
125 1 51 ARG HA 1 94 TYR H 5.600 . 6.100 3.351 2.899 3.982 . 0 0 "[ . 1 . 2]" 1
126 1 51 ARG HA 1 94 TYR QD 5.440 . 5.940 3.374 2.500 4.082 . 0 0 "[ . 1 . 2]" 1
127 1 51 ARG HB2 1 51 ARG HD2 4.180 . 4.680 3.141 2.415 3.684 . 0 0 "[ . 1 . 2]" 1
128 1 51 ARG HB2 1 51 ARG HD3 4.170 . 4.670 3.088 2.431 4.044 . 0 0 "[ . 1 . 2]" 1
129 1 51 ARG HB2 1 52 VAL H 4.830 . 5.330 3.704 2.209 4.081 . 0 0 "[ . 1 . 2]" 1
130 1 51 ARG HB2 1 53 ASP H 4.330 . 4.830 3.712 2.730 4.189 . 0 0 "[ . 1 . 2]" 1
131 1 51 ARG HB2 1 54 GLU H 4.050 . 4.550 3.297 2.739 4.017 . 0 0 "[ . 1 . 2]" 1
132 1 51 ARG HB3 1 52 VAL H 5.040 . 5.540 2.726 2.520 3.565 . 0 0 "[ . 1 . 2]" 1
133 1 51 ARG HB3 1 53 ASP H 4.200 . 4.700 3.304 2.488 4.362 . 0 0 "[ . 1 . 2]" 1
134 1 51 ARG HB3 1 54 GLU H 4.740 . 5.240 3.866 3.131 4.781 . 0 0 "[ . 1 . 2]" 1
135 1 51 ARG HD2 1 52 VAL H 5.740 . 6.240 5.238 3.899 5.821 . 0 0 "[ . 1 . 2]" 1
136 1 51 ARG HD2 1 93 VAL QG 4.670 . 5.170 3.282 2.385 3.638 . 0 0 "[ . 1 . 2]" 1
137 1 51 ARG HD3 1 52 VAL H 5.900 . 6.400 5.678 4.059 5.986 . 0 0 "[ . 1 . 2]" 1
138 1 51 ARG QG 1 52 VAL H 4.830 . 5.330 3.823 3.494 4.397 . 0 0 "[ . 1 . 2]" 1
139 1 52 VAL H 1 52 VAL MG1 4.500 . 5.000 1.701 1.640 1.771 0.160 9 0 "[ . 1 . 2]" 1
140 1 52 VAL H 1 52 VAL MG2 4.190 . 4.690 3.534 3.295 3.605 . 0 0 "[ . 1 . 2]" 1
141 1 52 VAL H 1 53 ASP H 4.700 . 5.200 2.948 2.829 3.086 . 0 0 "[ . 1 . 2]" 1
142 1 52 VAL H 1 55 ILE MD 5.210 . 5.710 3.892 3.671 4.112 . 0 0 "[ . 1 . 2]" 1
143 1 52 VAL H 1 55 ILE MG 5.830 . 6.330 4.794 4.600 4.914 . 0 0 "[ . 1 . 2]" 1
144 1 52 VAL H 1 92 PHE QD 5.930 . 6.430 5.403 5.366 5.443 . 0 0 "[ . 1 . 2]" 1
145 1 52 VAL H 1 93 VAL HA 5.500 . 6.000 4.103 3.419 4.600 . 0 0 "[ . 1 . 2]" 1
146 1 52 VAL H 1 94 TYR QD 5.690 . 6.190 3.363 2.692 3.873 . 0 0 "[ . 1 . 2]" 1
147 1 52 VAL H 1 94 TYR QE 5.330 . 5.830 3.472 2.615 4.304 . 0 0 "[ . 1 . 2]" 1
148 1 52 VAL HA 1 54 GLU H 5.090 . 5.590 3.783 3.571 3.971 . 0 0 "[ . 1 . 2]" 1
149 1 52 VAL HA 1 55 ILE H 4.910 . 5.410 3.493 3.351 3.628 . 0 0 "[ . 1 . 2]" 1
150 1 52 VAL HA 1 55 ILE HB 4.860 . 5.360 4.869 4.779 4.967 . 0 0 "[ . 1 . 2]" 1
151 1 52 VAL HA 1 55 ILE MD 4.110 . 4.610 1.873 1.789 1.943 0.011 13 0 "[ . 1 . 2]" 1
152 1 52 VAL HA 1 55 ILE QG 5.250 . 5.750 2.195 2.111 2.377 . 0 0 "[ . 1 . 2]" 1
153 1 52 VAL HA 1 55 ILE MG 4.790 . 5.290 3.438 3.222 3.638 . 0 0 "[ . 1 . 2]" 1
154 1 52 VAL HA 1 56 TYR H 5.440 . 5.940 4.195 3.985 4.508 . 0 0 "[ . 1 . 2]" 1
155 1 52 VAL HB 1 53 ASP H 4.210 . 4.710 4.238 4.115 4.307 . 0 0 "[ . 1 . 2]" 1
156 1 52 VAL HB 1 55 ILE MD 5.020 . 5.520 2.672 2.274 2.832 . 0 0 "[ . 1 . 2]" 1
157 1 52 VAL HB 1 56 TYR H 5.640 . 6.140 5.710 5.603 5.787 . 0 0 "[ . 1 . 2]" 1
158 1 52 VAL MG1 1 53 ASP H 4.320 . 4.820 2.838 2.539 3.374 . 0 0 "[ . 1 . 2]" 1
159 1 52 VAL MG1 1 54 GLU H 6.120 . 6.620 4.596 4.436 4.897 . 0 0 "[ . 1 . 2]" 1
160 1 52 VAL MG1 1 55 ILE H 6.350 . 6.850 5.403 5.353 5.460 . 0 0 "[ . 1 . 2]" 1
161 1 52 VAL MG1 1 91 LYS QG 3.700 . 4.200 2.650 2.149 2.795 . 0 0 "[ . 1 . 2]" 1
162 1 52 VAL MG1 1 92 PHE H 5.680 . 6.180 2.233 1.906 2.676 . 0 0 "[ . 1 . 2]" 1
163 1 52 VAL MG1 1 92 PHE QD 5.150 . 5.650 3.099 2.628 3.725 . 0 0 "[ . 1 . 2]" 1
164 1 52 VAL MG1 1 94 TYR QD 4.490 . 4.990 3.353 3.047 3.427 . 0 0 "[ . 1 . 2]" 1
165 1 52 VAL MG2 1 53 ASP H 3.850 . 4.350 2.679 2.441 2.948 . 0 0 "[ . 1 . 2]" 1
166 1 52 VAL MG2 1 53 ASP HA 4.420 . 4.920 3.208 2.921 3.601 . 0 0 "[ . 1 . 2]" 1
167 1 52 VAL MG2 1 53 ASP HB2 5.030 . 5.530 3.929 3.265 4.352 . 0 0 "[ . 1 . 2]" 1
168 1 52 VAL MG2 1 53 ASP HB3 4.430 . 4.930 3.463 2.913 3.834 . 0 0 "[ . 1 . 2]" 1
169 1 52 VAL MG2 1 54 GLU H 5.220 . 5.720 4.400 4.315 4.444 . 0 0 "[ . 1 . 2]" 1
170 1 52 VAL MG2 1 55 ILE H 6.250 . 6.750 5.060 4.888 5.181 . 0 0 "[ . 1 . 2]" 1
171 1 52 VAL MG2 1 55 ILE MD 4.560 . 5.060 3.249 3.178 3.325 . 0 0 "[ . 1 . 2]" 1
172 1 52 VAL MG2 1 56 TYR H 6.070 . 6.570 4.463 4.116 4.925 . 0 0 "[ . 1 . 2]" 1
173 1 52 VAL MG2 1 71 LYS HE2 4.030 . 4.530 2.144 1.903 3.312 . 0 0 "[ . 1 . 2]" 1
174 1 52 VAL MG2 1 71 LYS HE3 3.870 . 4.370 3.225 2.211 3.371 . 0 0 "[ . 1 . 2]" 1
175 1 52 VAL MG2 1 92 PHE H 6.250 . 6.750 4.492 4.088 4.959 . 0 0 "[ . 1 . 2]" 1
176 1 52 VAL MG2 1 94 TYR QE 5.070 . 5.570 3.809 3.764 3.851 . 0 0 "[ . 1 . 2]" 1
177 1 53 ASP H 1 53 ASP HB2 3.770 . 4.270 3.175 2.695 3.789 . 0 0 "[ . 1 . 2]" 1
178 1 53 ASP H 1 53 ASP HB3 3.720 . 4.220 2.477 1.913 3.493 . 0 0 "[ . 1 . 2]" 1
179 1 53 ASP H 1 54 GLU H 3.950 . 4.450 2.507 2.259 2.663 . 0 0 "[ . 1 . 2]" 1
180 1 53 ASP H 1 55 ILE H 4.920 . 5.420 4.381 4.177 4.493 . 0 0 "[ . 1 . 2]" 1
181 1 53 ASP H 1 55 ILE QG 5.320 . 5.820 4.215 4.078 4.383 . 0 0 "[ . 1 . 2]" 1
182 1 53 ASP H 1 91 LYS QD 4.390 . 4.890 3.757 3.220 4.004 . 0 0 "[ . 1 . 2]" 1
183 1 53 ASP H 1 91 LYS QG 5.530 . 6.030 4.195 3.368 4.938 . 0 0 "[ . 1 . 2]" 1
184 1 53 ASP HA 1 56 TYR H 4.410 . 4.910 3.680 3.419 4.106 . 0 0 "[ . 1 . 2]" 1
185 1 53 ASP HA 1 56 TYR HB2 4.360 . 4.860 3.737 3.243 4.371 . 0 0 "[ . 1 . 2]" 1
186 1 53 ASP HA 1 57 ALA H 4.900 . 5.400 4.194 3.948 4.547 . 0 0 "[ . 1 . 2]" 1
187 1 53 ASP HA 1 57 ALA MB 5.420 . 5.920 4.582 4.469 4.671 . 0 0 "[ . 1 . 2]" 1
188 1 53 ASP HB2 1 54 GLU H 4.740 . 5.240 4.232 3.313 4.548 . 0 0 "[ . 1 . 2]" 1
189 1 53 ASP HB3 1 54 GLU H 4.720 . 5.220 3.933 3.203 4.466 . 0 0 "[ . 1 . 2]" 1
190 1 54 GLU H 1 54 GLU HB2 4.050 . 4.550 2.246 1.978 2.676 . 0 0 "[ . 1 . 2]" 1
191 1 54 GLU H 1 54 GLU HB3 4.060 . 4.560 2.909 2.383 3.190 . 0 0 "[ . 1 . 2]" 1
192 1 54 GLU H 1 54 GLU HG2 4.220 . 4.720 4.056 3.517 4.323 . 0 0 "[ . 1 . 2]" 1
193 1 54 GLU H 1 55 ILE H 4.230 . 4.730 2.393 2.232 2.534 . 0 0 "[ . 1 . 2]" 1
194 1 54 GLU H 1 55 ILE HA 5.770 . 6.270 5.093 4.962 5.240 . 0 0 "[ . 1 . 2]" 1
195 1 54 GLU H 1 55 ILE MD 5.250 . 5.750 4.452 4.428 4.487 . 0 0 "[ . 1 . 2]" 1
196 1 54 GLU H 1 55 ILE MG 5.290 . 5.790 4.090 3.958 4.288 . 0 0 "[ . 1 . 2]" 1
197 1 54 GLU H 1 57 ALA MB 5.570 . 6.070 4.524 4.368 4.667 . 0 0 "[ . 1 . 2]" 1
198 1 54 GLU HA 1 54 GLU HG2 3.800 . 4.300 2.555 2.256 3.151 . 0 0 "[ . 1 . 2]" 1
199 1 54 GLU HA 1 56 TYR H 5.580 . 6.080 4.608 4.370 4.807 . 0 0 "[ . 1 . 2]" 1
200 1 54 GLU HA 1 57 ALA H 4.640 . 5.140 3.264 3.108 3.669 . 0 0 "[ . 1 . 2]" 1
201 1 54 GLU HB2 1 55 ILE H 4.270 . 4.770 3.277 2.925 3.845 . 0 0 "[ . 1 . 2]" 1
202 1 54 GLU HB2 1 57 ALA H 6.250 . 6.750 5.477 5.286 5.872 . 0 0 "[ . 1 . 2]" 1
203 1 54 GLU HB3 1 55 ILE H 4.800 . 5.300 2.485 2.325 2.695 . 0 0 "[ . 1 . 2]" 1
204 1 54 GLU HB3 1 55 ILE QG 4.570 . 5.070 4.180 4.095 4.282 . 0 0 "[ . 1 . 2]" 1
205 1 54 GLU HB3 1 57 ALA H 5.670 . 6.170 5.130 4.931 5.396 . 0 0 "[ . 1 . 2]" 1
206 1 54 GLU HG2 1 55 ILE H 5.010 . 5.510 4.884 3.742 5.032 . 0 0 "[ . 1 . 2]" 1
207 1 54 GLU HG2 1 57 ALA H 5.890 . 6.390 5.713 5.167 5.948 . 0 0 "[ . 1 . 2]" 1
208 1 55 ILE H 1 55 ILE HB 3.840 . 4.340 3.688 3.635 3.801 . 0 0 "[ . 1 . 2]" 1
209 1 55 ILE H 1 55 ILE MD 4.170 . 4.670 3.296 3.208 3.398 . 0 0 "[ . 1 . 2]" 1
210 1 55 ILE H 1 55 ILE QG 4.060 . 4.560 1.877 1.753 1.971 0.047 15 0 "[ . 1 . 2]" 1
211 1 55 ILE H 1 55 ILE MG 4.270 . 4.770 2.248 2.110 2.412 . 0 0 "[ . 1 . 2]" 1
212 1 55 ILE H 1 56 TYR H 4.690 . 5.190 2.868 2.710 3.008 . 0 0 "[ . 1 . 2]" 1
213 1 55 ILE H 1 56 TYR HB3 5.880 . 6.380 4.705 4.401 5.140 . 0 0 "[ . 1 . 2]" 1
214 1 55 ILE H 1 57 ALA H 4.850 . 5.350 4.027 3.872 4.183 . 0 0 "[ . 1 . 2]" 1
215 1 55 ILE HA 1 57 ALA H 4.900 . 5.400 4.227 4.044 4.457 . 0 0 "[ . 1 . 2]" 1
216 1 55 ILE HA 1 58 GLN H 4.960 . 5.460 3.747 3.364 4.249 . 0 0 "[ . 1 . 2]" 1
217 1 55 ILE HA 1 59 ILE H 5.840 . 6.340 5.679 5.217 5.963 . 0 0 "[ . 1 . 2]" 1
218 1 55 ILE HB 1 56 TYR H 3.990 . 4.490 3.652 3.541 3.740 . 0 0 "[ . 1 . 2]" 1
219 1 55 ILE MD 1 55 ILE MG 3.270 . 3.770 1.972 1.904 2.025 . 0 0 "[ . 1 . 2]" 1
220 1 55 ILE MD 1 56 TYR H 4.480 . 4.980 3.678 3.500 3.787 . 0 0 "[ . 1 . 2]" 1
221 1 55 ILE MD 1 74 LEU MD1 3.980 . 4.480 1.824 1.768 1.972 0.032 7 0 "[ . 1 . 2]" 1
222 1 55 ILE MD 1 74 LEU MD2 3.380 . 3.880 2.363 2.258 2.419 . 0 0 "[ . 1 . 2]" 1
223 1 55 ILE MD 1 94 TYR HB3 4.960 . 5.460 3.883 3.248 4.162 . 0 0 "[ . 1 . 2]" 1
224 1 55 ILE MD 1 94 TYR QD 4.520 . 5.020 2.574 2.303 3.254 . 0 0 "[ . 1 . 2]" 1
225 1 55 ILE MD 1 94 TYR QE 5.490 . 5.990 3.070 2.482 3.708 . 0 0 "[ . 1 . 2]" 1
226 1 55 ILE QG 1 56 TYR H 2.920 . 3.420 2.035 1.847 2.144 . 0 0 "[ . 1 . 2]" 1
227 1 55 ILE MG 1 56 TYR H 4.810 . 5.310 3.987 3.892 4.028 . 0 0 "[ . 1 . 2]" 1
228 1 55 ILE MG 1 57 ALA H 6.250 . 6.750 5.307 5.246 5.383 . 0 0 "[ . 1 . 2]" 1
229 1 55 ILE MG 1 74 LEU MD1 4.900 . 5.400 3.340 2.159 3.491 . 0 0 "[ . 1 . 2]" 1
230 1 55 ILE MG 1 74 LEU MD2 4.460 . 4.960 3.135 2.980 3.216 . 0 0 "[ . 1 . 2]" 1
231 1 56 TYR H 1 56 TYR HB2 4.190 . 4.690 2.350 2.163 2.496 . 0 0 "[ . 1 . 2]" 1
232 1 56 TYR H 1 56 TYR HB3 4.190 . 4.690 2.283 2.095 2.640 . 0 0 "[ . 1 . 2]" 1
233 1 56 TYR H 1 56 TYR QD 4.410 . 4.910 4.016 3.943 4.076 . 0 0 "[ . 1 . 2]" 1
234 1 56 TYR H 1 57 ALA H 4.130 . 4.630 2.724 2.611 2.812 . 0 0 "[ . 1 . 2]" 1
235 1 56 TYR H 1 57 ALA MB 5.750 . 6.250 4.402 4.201 4.538 . 0 0 "[ . 1 . 2]" 1
236 1 56 TYR H 1 58 GLN H 5.420 . 5.920 4.313 4.152 4.493 . 0 0 "[ . 1 . 2]" 1
237 1 56 TYR H 1 58 GLN HE21 6.250 . 6.750 5.737 5.277 6.268 . 0 0 "[ . 1 . 2]" 1
238 1 56 TYR H 1 59 ILE H 6.250 . 6.750 5.466 5.083 5.701 . 0 0 "[ . 1 . 2]" 1
239 1 56 TYR H 1 67 LEU MD2 4.990 . 5.490 4.180 4.056 4.262 . 0 0 "[ . 1 . 2]" 1
240 1 56 TYR H 1 70 VAL HB 6.250 . 6.750 5.713 5.347 5.981 . 0 0 "[ . 1 . 2]" 1
241 1 56 TYR H 1 70 VAL MG2 4.690 . 5.190 3.915 3.751 3.988 . 0 0 "[ . 1 . 2]" 1
242 1 56 TYR HA 1 56 TYR QD 4.280 . 4.780 2.408 2.216 2.871 . 0 0 "[ . 1 . 2]" 1
243 1 56 TYR HA 1 56 TYR QE 5.550 . 6.050 4.523 4.360 4.697 . 0 0 "[ . 1 . 2]" 1
244 1 56 TYR HA 1 59 ILE H 4.570 . 5.070 3.564 3.171 3.857 . 0 0 "[ . 1 . 2]" 1
245 1 56 TYR HA 1 59 ILE HG12 4.430 . 4.930 4.319 2.288 4.500 . 0 0 "[ . 1 . 2]" 1
246 1 56 TYR HA 1 67 LEU MD2 5.810 . 6.310 3.973 3.748 4.184 . 0 0 "[ . 1 . 2]" 1
247 1 56 TYR HB2 1 57 ALA H 4.470 . 4.970 3.925 3.674 4.071 . 0 0 "[ . 1 . 2]" 1
248 1 56 TYR HB2 1 58 GLN H 5.430 . 5.930 5.569 5.500 5.664 . 0 0 "[ . 1 . 2]" 1
249 1 56 TYR HB2 1 59 ILE H 6.180 . 6.680 5.752 5.415 6.014 . 0 0 "[ . 1 . 2]" 1
250 1 56 TYR HB3 1 57 ALA H 4.450 . 4.950 2.687 2.540 2.838 . 0 0 "[ . 1 . 2]" 1
251 1 56 TYR HB3 1 58 GLN H 5.600 . 6.100 4.950 4.840 5.045 . 0 0 "[ . 1 . 2]" 1
252 1 56 TYR HB3 1 67 LEU MD2 3.810 . 4.310 3.003 2.839 3.191 . 0 0 "[ . 1 . 2]" 1
253 1 56 TYR QD 1 57 ALA H 4.330 . 4.830 3.886 3.783 3.957 . 0 0 "[ . 1 . 2]" 1
254 1 56 TYR QD 1 67 LEU MD1 4.800 . 5.300 3.541 3.182 3.620 . 0 0 "[ . 1 . 2]" 1
255 1 56 TYR QD 1 67 LEU MD2 4.140 . 4.640 2.500 2.089 2.627 . 0 0 "[ . 1 . 2]" 1
256 1 56 TYR QD 1 70 VAL H 6.030 . 6.530 4.344 3.708 4.750 . 0 0 "[ . 1 . 2]" 1
257 1 56 TYR QD 1 71 LYS HE2 5.880 . 6.380 5.389 5.247 5.476 . 0 0 "[ . 1 . 2]" 1
258 1 56 TYR QE 1 67 LEU MD1 5.060 . 5.560 3.761 3.413 3.964 . 0 0 "[ . 1 . 2]" 1
259 1 56 TYR QE 1 67 LEU MD2 5.480 . 5.980 3.362 2.760 3.697 . 0 0 "[ . 1 . 2]" 1
260 1 56 TYR QE 1 70 VAL H 6.200 . 6.700 4.915 3.543 5.563 . 0 0 "[ . 1 . 2]" 1
261 1 57 ALA H 1 57 ALA MB 3.200 . 3.700 2.224 2.079 2.280 . 0 0 "[ . 1 . 2]" 1
262 1 57 ALA H 1 58 GLN HE22 6.250 . 6.750 5.107 4.390 5.723 . 0 0 "[ . 1 . 2]" 1
263 1 57 ALA H 1 59 ILE HG13 5.030 . 5.530 5.036 4.769 5.150 . 0 0 "[ . 1 . 2]" 1
264 1 57 ALA H 1 67 LEU MD2 6.250 . 6.750 5.245 5.169 5.295 . 0 0 "[ . 1 . 2]" 1
265 1 57 ALA MB 1 58 GLN H 3.900 . 4.400 2.981 2.865 3.146 . 0 0 "[ . 1 . 2]" 1
266 1 57 ALA MB 1 58 GLN HA 4.730 . 5.230 3.993 3.953 4.055 . 0 0 "[ . 1 . 2]" 1
267 1 57 ALA MB 1 58 GLN HE21 4.860 . 5.360 3.050 2.130 3.963 . 0 0 "[ . 1 . 2]" 1
268 1 57 ALA MB 1 58 GLN HE22 3.870 . 4.370 3.142 2.661 3.336 . 0 0 "[ . 1 . 2]" 1
269 1 57 ALA MB 1 59 ILE H 5.310 . 5.810 4.463 4.420 4.528 . 0 0 "[ . 1 . 2]" 1
270 1 58 GLN H 1 58 GLN HB2 3.550 . 4.050 2.162 1.920 2.552 . 0 0 "[ . 1 . 2]" 1
271 1 58 GLN H 1 58 GLN HB3 3.660 . 4.160 3.356 3.014 3.668 . 0 0 "[ . 1 . 2]" 1
272 1 58 GLN H 1 58 GLN HE21 4.650 . 5.150 3.067 2.306 4.081 . 0 0 "[ . 1 . 2]" 1
273 1 58 GLN H 1 58 GLN HE22 5.070 . 5.570 4.168 3.795 4.777 . 0 0 "[ . 1 . 2]" 1
274 1 58 GLN H 1 58 GLN QG 4.120 . 4.620 3.412 2.078 3.817 . 0 0 "[ . 1 . 2]" 1
275 1 58 GLN H 1 59 ILE H 3.720 . 4.220 2.517 2.418 2.590 . 0 0 "[ . 1 . 2]" 1
276 1 58 GLN H 1 59 ILE HG12 6.250 . 6.750 4.849 3.150 5.318 . 0 0 "[ . 1 . 2]" 1
277 1 58 GLN HA 1 58 GLN HE21 5.490 . 5.990 3.885 3.057 4.751 . 0 0 "[ . 1 . 2]" 1
278 1 58 GLN HA 1 58 GLN HE22 6.070 . 6.570 4.389 3.743 5.326 . 0 0 "[ . 1 . 2]" 1
279 1 58 GLN HB2 1 58 GLN HE22 5.200 . 5.700 4.083 3.626 5.310 . 0 0 "[ . 1 . 2]" 1
280 1 58 GLN HB3 1 58 GLN HE22 4.910 . 5.410 4.969 4.842 5.021 . 0 0 "[ . 1 . 2]" 1
281 1 58 GLN HB3 1 59 ILE H 4.510 . 5.010 3.907 3.414 4.430 . 0 0 "[ . 1 . 2]" 1
282 1 58 GLN QG 1 59 ILE H 5.320 . 5.820 4.708 4.250 4.850 . 0 0 "[ . 1 . 2]" 1
283 1 59 ILE H 1 59 ILE HB 3.750 . 4.250 2.391 2.264 2.634 . 0 0 "[ . 1 . 2]" 1
284 1 59 ILE H 1 59 ILE MD 4.290 . 4.790 3.637 3.609 3.681 . 0 0 "[ . 1 . 2]" 1
285 1 59 ILE H 1 59 ILE HG12 3.990 . 4.490 3.407 2.202 3.661 . 0 0 "[ . 1 . 2]" 1
286 1 59 ILE H 1 59 ILE HG13 3.750 . 4.250 2.350 2.025 3.425 . 0 0 "[ . 1 . 2]" 1
287 1 59 ILE H 1 59 ILE MG 4.410 . 4.910 3.742 3.701 3.760 . 0 0 "[ . 1 . 2]" 1
288 1 59 ILE H 1 60 PRO HD2 5.320 . 5.820 4.842 4.567 5.066 . 0 0 "[ . 1 . 2]" 1
289 1 59 ILE HA 1 59 ILE MD 4.430 . 4.930 3.675 2.292 3.800 . 0 0 "[ . 1 . 2]" 1
290 1 59 ILE MD 1 59 ILE MG 3.290 . 3.790 2.071 2.042 2.095 . 0 0 "[ . 1 . 2]" 1
291 1 59 ILE MD 1 65 TRP HE3 4.940 . 5.440 2.864 2.281 3.663 . 0 0 "[ . 1 . 2]" 1
292 1 59 ILE MD 1 70 VAL H 5.280 . 5.780 4.221 3.786 4.444 . 0 0 "[ . 1 . 2]" 1
293 1 59 ILE MD 1 70 VAL HA 5.200 . 5.700 3.784 3.408 4.197 . 0 0 "[ . 1 . 2]" 1
294 1 59 ILE MD 1 70 VAL HB 4.250 . 4.750 2.307 1.988 2.696 . 0 0 "[ . 1 . 2]" 1
295 1 59 ILE MG 1 60 PRO HD2 4.400 . 4.900 3.202 2.486 3.690 . 0 0 "[ . 1 . 2]" 1
296 1 59 ILE MG 1 60 PRO HD3 5.270 . 5.770 4.195 3.682 4.446 . 0 0 "[ . 1 . 2]" 1
297 1 59 ILE MG 1 65 TRP HE3 5.850 . 6.350 2.679 2.082 3.820 . 0 0 "[ . 1 . 2]" 1
298 1 59 ILE MG 1 70 VAL HB 4.490 . 4.990 3.688 3.129 3.824 . 0 0 "[ . 1 . 2]" 1
299 1 61 GLN H 1 61 GLN QG 4.380 . 4.880 2.997 1.819 3.959 . 0 0 "[ . 1 . 2]" 1
300 1 61 GLN HA 1 61 GLN HE21 4.990 . 5.490 3.587 3.051 4.871 . 0 0 "[ . 1 . 2]" 1
301 1 61 GLN HA 1 61 GLN HE22 5.020 . 5.520 4.734 3.404 5.101 . 0 0 "[ . 1 . 2]" 1
302 1 61 GLN HA 1 61 GLN QG 3.590 . 4.090 2.607 2.101 3.382 . 0 0 "[ . 1 . 2]" 1
303 1 61 GLN QG 1 62 GLU H 5.300 . 5.800 4.194 2.544 4.803 . 0 0 "[ . 1 . 2]" 1
304 1 62 GLU H 1 62 GLU HG2 5.040 . 5.540 3.595 2.996 4.547 . 0 0 "[ . 1 . 2]" 1
305 1 62 GLU H 1 62 GLU HG3 5.140 . 5.640 2.888 1.973 4.513 . 0 0 "[ . 1 . 2]" 1
306 1 62 GLU HA 1 62 GLU HG2 3.410 . 3.910 2.721 2.308 3.394 . 0 0 "[ . 1 . 2]" 1
307 1 62 GLU HA 1 62 GLU HG3 3.460 . 3.960 3.004 2.333 3.336 . 0 0 "[ . 1 . 2]" 1
308 1 62 GLU QB 1 63 LEU H 5.080 . 5.580 3.002 2.628 3.497 . 0 0 "[ . 1 . 2]" 1
309 1 62 GLU HG2 1 63 LEU H 5.070 . 5.570 4.797 3.844 5.159 . 0 0 "[ . 1 . 2]" 1
310 1 62 GLU HG3 1 63 LEU H 4.770 . 5.270 4.661 4.243 4.869 . 0 0 "[ . 1 . 2]" 1
311 1 63 LEU H 1 63 LEU MD1 4.440 . 4.940 3.573 3.460 3.746 . 0 0 "[ . 1 . 2]" 1
312 1 63 LEU H 1 63 LEU MD2 4.110 . 4.610 3.220 2.455 3.475 . 0 0 "[ . 1 . 2]" 1
313 1 63 LEU H 1 63 LEU HG 4.170 . 4.670 2.373 2.075 4.150 . 0 0 "[ . 1 . 2]" 1
314 1 63 LEU H 1 64 GLU H 3.870 . 4.370 2.265 2.065 2.728 . 0 0 "[ . 1 . 2]" 1
315 1 63 LEU H 1 64 GLU HG2 5.370 . 5.870 5.213 4.473 5.455 . 0 0 "[ . 1 . 2]" 1
316 1 63 LEU H 1 64 GLU HG3 5.180 . 5.680 4.648 4.076 5.320 . 0 0 "[ . 1 . 2]" 1
317 1 63 LEU H 1 65 TRP H 5.670 . 6.170 4.025 3.051 4.529 . 0 0 "[ . 1 . 2]" 1
318 1 63 LEU HA 1 63 LEU MD2 3.490 . 3.990 2.179 2.048 2.937 . 0 0 "[ . 1 . 2]" 1
319 1 63 LEU HA 1 64 GLU H 3.570 . 4.070 3.359 3.282 3.498 . 0 0 "[ . 1 . 2]" 1
320 1 63 LEU HB2 1 64 GLU H 4.700 . 5.200 2.807 2.152 3.446 . 0 0 "[ . 1 . 2]" 1
321 1 63 LEU HB2 1 65 TRP H 4.670 . 5.170 2.678 2.113 3.158 . 0 0 "[ . 1 . 2]" 1
322 1 63 LEU HB3 1 64 GLU H 5.400 . 5.900 3.825 3.118 4.084 . 0 0 "[ . 1 . 2]" 1
323 1 63 LEU HB3 1 65 TRP H 5.030 . 5.530 3.544 2.700 4.351 . 0 0 "[ . 1 . 2]" 1
324 1 63 LEU MD1 1 64 GLU H 5.380 . 5.880 4.532 4.147 4.630 . 0 0 "[ . 1 . 2]" 1
325 1 63 LEU MD1 1 65 TRP H 5.340 . 5.840 4.184 3.677 4.490 . 0 0 "[ . 1 . 2]" 1
326 1 63 LEU MD1 1 65 TRP HZ2 5.770 . 6.270 4.264 3.581 4.847 . 0 0 "[ . 1 . 2]" 1
327 1 63 LEU MD1 1 65 TRP HZ3 5.970 . 6.470 4.246 2.594 5.009 . 0 0 "[ . 1 . 2]" 1
328 1 63 LEU MD2 1 64 GLU H 5.290 . 5.790 4.480 4.333 4.529 . 0 0 "[ . 1 . 2]" 1
329 1 63 LEU HG 1 64 GLU H 5.620 . 6.120 4.232 4.067 5.665 . 0 0 "[ . 1 . 2]" 1
330 1 64 GLU H 1 64 GLU HG2 4.400 . 4.900 3.414 3.061 3.883 . 0 0 "[ . 1 . 2]" 1
331 1 64 GLU H 1 64 GLU HG3 4.410 . 4.910 3.089 2.817 3.609 . 0 0 "[ . 1 . 2]" 1
332 1 64 GLU H 1 65 TRP H 4.170 . 4.670 2.651 1.784 3.028 0.016 9 0 "[ . 1 . 2]" 1
333 1 64 GLU HA 1 64 GLU HG2 3.890 . 4.390 2.664 2.310 3.917 . 0 0 "[ . 1 . 2]" 1
334 1 64 GLU HA 1 64 GLU HG3 3.910 . 4.410 3.268 3.004 3.732 . 0 0 "[ . 1 . 2]" 1
335 1 64 GLU QB 1 65 TRP H 4.920 . 5.420 3.796 3.475 3.995 . 0 0 "[ . 1 . 2]" 1
336 1 64 GLU HG2 1 65 TRP H 5.250 . 5.750 5.067 4.191 5.295 . 0 0 "[ . 1 . 2]" 1
337 1 64 GLU HG3 1 65 TRP H 5.270 . 5.770 4.771 3.042 5.159 . 0 0 "[ . 1 . 2]" 1
338 1 65 TRP H 1 65 TRP HD1 4.340 . 4.840 2.946 2.500 3.419 . 0 0 "[ . 1 . 2]" 1
339 1 65 TRP H 1 65 TRP HE1 5.820 . 6.320 5.019 4.650 5.493 . 0 0 "[ . 1 . 2]" 1
340 1 65 TRP HA 1 65 TRP HD1 4.090 . 4.590 2.549 2.283 2.890 . 0 0 "[ . 1 . 2]" 1
341 1 65 TRP HA 1 65 TRP HE1 5.840 . 6.340 4.860 4.677 5.160 . 0 0 "[ . 1 . 2]" 1
342 1 65 TRP QB 1 69 THR H 5.140 . 5.640 4.412 4.116 4.638 . 0 0 "[ . 1 . 2]" 1
343 1 65 TRP HD1 1 69 THR MG 5.680 . 6.180 4.045 3.462 4.759 . 0 0 "[ . 1 . 2]" 1
344 1 65 TRP HZ3 1 69 THR MG 4.710 . 5.210 3.844 3.319 4.005 . 0 0 "[ . 1 . 2]" 1
345 1 66 SER HA 1 68 ALA H 5.830 . 6.330 4.422 3.954 4.750 . 0 0 "[ . 1 . 2]" 1
346 1 66 SER HA 1 69 THR H 4.820 . 5.320 4.749 4.456 4.973 . 0 0 "[ . 1 . 2]" 1
347 1 66 SER HB2 1 67 LEU H 5.320 . 5.820 3.731 2.444 4.094 . 0 0 "[ . 1 . 2]" 1
348 1 66 SER HB2 1 69 THR H 4.990 . 5.490 4.154 2.765 5.058 . 0 0 "[ . 1 . 2]" 1
349 1 66 SER HB3 1 67 LEU H 5.140 . 5.640 3.406 2.444 4.084 . 0 0 "[ . 1 . 2]" 1
350 1 66 SER HB3 1 69 THR H 5.110 . 5.610 3.786 2.705 5.166 . 0 0 "[ . 1 . 2]" 1
351 1 67 LEU H 1 67 LEU MD1 4.930 . 5.430 4.152 4.118 4.193 . 0 0 "[ . 1 . 2]" 1
352 1 67 LEU H 1 67 LEU MD2 4.660 . 5.160 3.972 3.713 4.030 . 0 0 "[ . 1 . 2]" 1
353 1 67 LEU HA 1 67 LEU MD1 4.350 . 4.850 3.519 2.285 3.748 . 0 0 "[ . 1 . 2]" 1
354 1 67 LEU HA 1 67 LEU MD2 3.680 . 4.180 1.997 1.919 2.404 . 0 0 "[ . 1 . 2]" 1
355 1 67 LEU HA 1 70 VAL H 4.910 . 5.410 3.667 3.301 4.098 . 0 0 "[ . 1 . 2]" 1
356 1 67 LEU HA 1 70 VAL HB 5.160 . 5.660 4.510 4.091 4.857 . 0 0 "[ . 1 . 2]" 1
357 1 67 LEU HA 1 71 LYS H 5.490 . 5.990 4.519 4.035 5.190 . 0 0 "[ . 1 . 2]" 1
358 1 67 LEU MD1 1 68 ALA H 6.040 . 6.540 4.367 3.493 4.805 . 0 0 "[ . 1 . 2]" 1
359 1 67 LEU MD1 1 68 ALA HA 5.980 . 6.480 4.656 3.412 5.068 . 0 0 "[ . 1 . 2]" 1
360 1 67 LEU MD1 1 71 LYS HE2 3.980 . 4.480 3.005 2.077 3.359 . 0 0 "[ . 1 . 2]" 1
361 1 67 LEU MD1 1 71 LYS HE3 4.550 . 5.050 2.393 1.811 3.853 . 0 0 "[ . 1 . 2]" 1
362 1 67 LEU MD2 1 70 VAL H 5.440 . 5.940 4.219 3.939 4.627 . 0 0 "[ . 1 . 2]" 1
363 1 67 LEU MD2 1 70 VAL HB 5.160 . 5.660 4.307 3.964 4.374 . 0 0 "[ . 1 . 2]" 1
364 1 67 LEU MD2 1 71 LYS H 6.240 . 6.740 3.855 3.326 4.960 . 0 0 "[ . 1 . 2]" 1
365 1 67 LEU MD2 1 71 LYS HE2 6.250 . 6.750 2.522 1.869 3.851 . 0 0 "[ . 1 . 2]" 1
366 1 68 ALA H 1 69 THR H 5.150 . 5.650 2.829 2.650 3.008 . 0 0 "[ . 1 . 2]" 1
367 1 68 ALA HA 1 70 VAL H 5.290 . 5.790 4.910 4.688 5.171 . 0 0 "[ . 1 . 2]" 1
368 1 68 ALA HA 1 71 LYS H 4.290 . 4.790 3.904 3.560 4.189 . 0 0 "[ . 1 . 2]" 1
369 1 68 ALA HA 1 71 LYS QB 4.300 . 4.800 2.879 2.263 3.451 . 0 0 "[ . 1 . 2]" 1
370 1 68 ALA HA 1 71 LYS QD 4.380 . 4.880 3.415 2.766 3.989 . 0 0 "[ . 1 . 2]" 1
371 1 68 ALA MB 1 69 THR H 3.680 . 4.180 2.742 2.566 3.004 . 0 0 "[ . 1 . 2]" 1
372 1 69 THR H 1 69 THR HB 3.670 . 4.170 2.650 2.506 2.800 . 0 0 "[ . 1 . 2]" 1
373 1 69 THR H 1 70 VAL H 4.230 . 4.730 2.987 2.838 3.106 . 0 0 "[ . 1 . 2]" 1
374 1 69 THR H 1 71 LYS H 4.780 . 5.280 4.376 4.137 4.564 . 0 0 "[ . 1 . 2]" 1
375 1 69 THR H 1 72 THR MG 5.010 . 5.510 4.186 4.076 4.242 . 0 0 "[ . 1 . 2]" 1
376 1 69 THR HA 1 71 LYS H 5.610 . 6.110 4.615 4.299 4.795 . 0 0 "[ . 1 . 2]" 1
377 1 69 THR HA 1 72 THR H 4.470 . 4.970 3.703 3.557 3.905 . 0 0 "[ . 1 . 2]" 1
378 1 69 THR HA 1 73 LEU H 4.790 . 5.290 4.187 3.903 4.434 . 0 0 "[ . 1 . 2]" 1
379 1 69 THR HB 1 70 VAL H 4.130 . 4.630 2.534 2.291 2.769 . 0 0 "[ . 1 . 2]" 1
380 1 69 THR HB 1 71 LYS H 5.150 . 5.650 5.081 4.946 5.211 . 0 0 "[ . 1 . 2]" 1
381 1 69 THR MG 1 70 VAL H 4.380 . 4.880 3.427 3.269 3.588 . 0 0 "[ . 1 . 2]" 1
382 1 69 THR MG 1 71 LYS H 6.160 . 6.660 5.097 4.979 5.165 . 0 0 "[ . 1 . 2]" 1
383 1 69 THR MG 1 72 THR H 5.670 . 6.170 4.818 4.755 4.873 . 0 0 "[ . 1 . 2]" 1
384 1 69 THR MG 1 72 THR MG 5.970 . 6.470 3.033 2.872 3.239 . 0 0 "[ . 1 . 2]" 1
385 1 69 THR MG 1 73 LEU H 4.960 . 5.460 4.030 3.866 4.155 . 0 0 "[ . 1 . 2]" 1
386 1 69 THR MG 1 73 LEU QB 5.140 . 5.640 2.998 2.848 3.222 . 0 0 "[ . 1 . 2]" 1
387 1 69 THR MG 1 73 LEU MD1 4.120 . 4.620 2.742 2.430 2.901 . 0 0 "[ . 1 . 2]" 1
388 1 70 VAL H 1 70 VAL HB 4.140 . 4.640 2.501 2.437 2.600 . 0 0 "[ . 1 . 2]" 1
389 1 70 VAL H 1 70 VAL MG1 3.820 . 4.320 2.309 2.053 2.583 . 0 0 "[ . 1 . 2]" 1
390 1 70 VAL H 1 70 VAL MG2 4.390 . 4.890 3.746 3.723 3.791 . 0 0 "[ . 1 . 2]" 1
391 1 70 VAL H 1 71 LYS H 4.380 . 4.880 2.819 2.599 2.987 . 0 0 "[ . 1 . 2]" 1
392 1 70 VAL H 1 71 LYS QB 5.840 . 6.340 4.770 4.313 5.082 . 0 0 "[ . 1 . 2]" 1
393 1 70 VAL H 1 72 THR H 5.270 . 5.770 4.480 4.313 4.640 . 0 0 "[ . 1 . 2]" 1
394 1 70 VAL H 1 72 THR MG 5.640 . 6.140 4.473 4.186 4.560 . 0 0 "[ . 1 . 2]" 1
395 1 70 VAL H 1 73 LEU MD1 5.850 . 6.350 4.880 4.583 4.942 . 0 0 "[ . 1 . 2]" 1
396 1 70 VAL HA 1 72 THR MG 5.280 . 5.780 4.457 4.425 4.499 . 0 0 "[ . 1 . 2]" 1
397 1 70 VAL HA 1 73 LEU H 5.120 . 5.620 3.304 3.115 3.452 . 0 0 "[ . 1 . 2]" 1
398 1 70 VAL HA 1 74 LEU H 5.430 . 5.930 3.721 3.304 4.043 . 0 0 "[ . 1 . 2]" 1
399 1 70 VAL HB 1 71 LYS H 4.260 . 4.760 3.946 3.739 4.087 . 0 0 "[ . 1 . 2]" 1
400 1 70 VAL MG1 1 71 LYS H 4.540 . 5.040 2.215 2.091 2.316 . 0 0 "[ . 1 . 2]" 1
401 1 70 VAL MG1 1 72 THR H 5.580 . 6.080 4.563 4.436 4.691 . 0 0 "[ . 1 . 2]" 1
402 1 70 VAL MG1 1 73 LEU H 6.140 . 6.640 5.083 5.003 5.134 . 0 0 "[ . 1 . 2]" 1
403 1 70 VAL MG1 1 74 LEU MD1 4.800 . 5.300 3.288 2.842 3.389 . 0 0 "[ . 1 . 2]" 1
404 1 70 VAL MG2 1 71 LYS H 4.220 . 4.720 3.579 3.536 3.653 . 0 0 "[ . 1 . 2]" 1
405 1 70 VAL MG2 1 72 THR H 6.450 . 6.950 5.173 5.005 5.328 . 0 0 "[ . 1 . 2]" 1
406 1 70 VAL MG2 1 73 LEU H 5.290 . 5.790 4.460 4.414 4.494 . 0 0 "[ . 1 . 2]" 1
407 1 70 VAL MG2 1 74 LEU H 5.020 . 5.520 3.594 3.250 3.764 . 0 0 "[ . 1 . 2]" 1
408 1 70 VAL MG2 1 74 LEU MD1 4.120 . 4.620 2.476 2.104 2.859 . 0 0 "[ . 1 . 2]" 1
409 1 71 LYS H 1 71 LYS QB 3.630 . 4.130 2.439 2.064 2.573 . 0 0 "[ . 1 . 2]" 1
410 1 71 LYS H 1 71 LYS QD 4.380 . 4.880 3.614 2.084 3.975 . 0 0 "[ . 1 . 2]" 1
411 1 71 LYS H 1 71 LYS HE2 5.210 . 5.710 4.675 3.910 5.091 . 0 0 "[ . 1 . 2]" 1
412 1 71 LYS H 1 71 LYS HE3 6.250 . 6.750 4.758 4.214 5.192 . 0 0 "[ . 1 . 2]" 1
413 1 71 LYS H 1 71 LYS HG2 4.090 . 4.590 3.117 2.016 4.168 . 0 0 "[ . 1 . 2]" 1
414 1 71 LYS H 1 71 LYS HG3 4.750 . 5.250 2.606 1.976 4.061 . 0 0 "[ . 1 . 2]" 1
415 1 71 LYS H 1 72 THR H 4.380 . 4.880 2.845 2.590 3.067 . 0 0 "[ . 1 . 2]" 1
416 1 71 LYS H 1 72 THR MG 5.200 . 5.700 4.205 3.406 4.353 . 0 0 "[ . 1 . 2]" 1
417 1 71 LYS HA 1 71 LYS QD 4.650 . 5.150 3.479 2.442 4.007 . 0 0 "[ . 1 . 2]" 1
418 1 71 LYS HA 1 71 LYS HE2 6.250 . 6.750 4.767 3.988 5.237 . 0 0 "[ . 1 . 2]" 1
419 1 71 LYS HA 1 71 LYS HE3 5.990 . 6.490 5.305 4.079 5.751 . 0 0 "[ . 1 . 2]" 1
420 1 71 LYS HA 1 74 LEU H 5.400 . 5.900 3.862 3.553 4.204 . 0 0 "[ . 1 . 2]" 1
421 1 71 LYS HA 1 74 LEU MD1 4.710 . 5.210 2.680 2.105 3.931 . 0 0 "[ . 1 . 2]" 1
422 1 71 LYS HA 1 75 GLY H 4.730 . 5.230 4.163 3.539 4.780 . 0 0 "[ . 1 . 2]" 1
423 1 71 LYS QB 1 71 LYS HE2 4.430 . 4.930 4.033 3.977 4.160 . 0 0 "[ . 1 . 2]" 1
424 1 71 LYS QB 1 71 LYS HE3 4.470 . 4.970 3.956 3.713 4.132 . 0 0 "[ . 1 . 2]" 1
425 1 71 LYS QB 1 72 THR H 3.880 . 4.380 2.491 2.146 2.643 . 0 0 "[ . 1 . 2]" 1
426 1 71 LYS QD 1 72 THR H 5.140 . 5.640 4.659 4.235 4.818 . 0 0 "[ . 1 . 2]" 1
427 1 71 LYS HE2 1 71 LYS HG3 3.550 . 4.050 2.943 2.504 3.651 . 0 0 "[ . 1 . 2]" 1
428 1 71 LYS HE3 1 71 LYS HG3 3.720 . 4.220 2.644 2.341 2.927 . 0 0 "[ . 1 . 2]" 1
429 1 71 LYS HG2 1 72 THR H 4.800 . 5.300 4.777 4.273 4.960 . 0 0 "[ . 1 . 2]" 1
430 1 71 LYS HG3 1 72 THR H 5.040 . 5.540 4.413 4.158 4.985 . 0 0 "[ . 1 . 2]" 1
431 1 72 THR H 1 72 THR HB 3.700 . 4.200 2.748 2.571 3.532 . 0 0 "[ . 1 . 2]" 1
432 1 72 THR H 1 72 THR MG 4.090 . 4.590 2.213 1.761 2.429 0.039 8 0 "[ . 1 . 2]" 1
433 1 72 THR H 1 73 LEU H 4.460 . 4.960 2.791 2.721 2.878 . 0 0 "[ . 1 . 2]" 1
434 1 72 THR H 1 74 LEU H 5.370 . 5.870 4.431 4.293 4.557 . 0 0 "[ . 1 . 2]" 1
435 1 72 THR H 1 75 GLY H 6.250 . 6.750 4.937 4.634 5.276 . 0 0 "[ . 1 . 2]" 1
436 1 72 THR HA 1 74 LEU H 5.130 . 5.630 4.669 4.458 4.847 . 0 0 "[ . 1 . 2]" 1
437 1 72 THR HA 1 75 GLY H 3.760 . 4.260 3.652 3.343 3.847 . 0 0 "[ . 1 . 2]" 1
438 1 72 THR HA 1 76 ARG H 5.090 . 5.590 4.902 4.390 5.136 . 0 0 "[ . 1 . 2]" 1
439 1 72 THR HB 1 73 LEU H 5.080 . 5.580 4.220 4.114 4.357 . 0 0 "[ . 1 . 2]" 1
440 1 72 THR MG 1 73 LEU H 4.200 . 4.700 2.493 2.304 2.902 . 0 0 "[ . 1 . 2]" 1
441 1 72 THR MG 1 73 LEU QB 5.060 . 5.560 3.024 2.766 3.755 . 0 0 "[ . 1 . 2]" 1
442 1 72 THR MG 1 74 LEU H 5.610 . 6.110 4.656 4.537 4.822 . 0 0 "[ . 1 . 2]" 1
443 1 73 LEU H 1 73 LEU MD1 4.710 . 5.210 3.923 3.874 3.966 . 0 0 "[ . 1 . 2]" 1
444 1 73 LEU H 1 73 LEU MD2 4.740 . 5.240 4.054 3.989 4.105 . 0 0 "[ . 1 . 2]" 1
445 1 73 LEU H 1 73 LEU HG 5.420 . 5.920 4.257 3.927 4.481 . 0 0 "[ . 1 . 2]" 1
446 1 73 LEU H 1 74 LEU H 4.640 . 5.140 2.599 2.424 2.784 . 0 0 "[ . 1 . 2]" 1
447 1 73 LEU HA 1 73 LEU MD2 4.160 . 4.660 2.709 2.214 3.335 . 0 0 "[ . 1 . 2]" 1
448 1 73 LEU HA 1 76 ARG H 6.250 . 6.750 3.485 3.307 3.714 . 0 0 "[ . 1 . 2]" 1
449 1 73 LEU QB 1 74 LEU H 4.410 . 4.910 2.419 2.271 2.615 . 0 0 "[ . 1 . 2]" 1
450 1 73 LEU MD2 1 74 LEU H 4.380 . 4.880 3.308 2.891 3.697 . 0 0 "[ . 1 . 2]" 1
451 1 73 LEU MD2 1 75 GLY H 5.820 . 6.320 4.913 4.832 4.980 . 0 0 "[ . 1 . 2]" 1
452 1 73 LEU MD2 1 76 ARG H 5.520 . 6.020 4.086 3.836 4.382 . 0 0 "[ . 1 . 2]" 1
453 1 73 LEU O 1 77 LEU H 2.000 . 2.500 2.121 2.090 2.161 . 0 0 "[ . 1 . 2]" 1
454 1 73 LEU O 1 77 LEU N 3.000 . 3.500 3.073 3.039 3.121 . 0 0 "[ . 1 . 2]" 1
455 1 74 LEU H 1 74 LEU MD1 4.790 . 5.290 3.624 3.393 3.878 . 0 0 "[ . 1 . 2]" 1
456 1 74 LEU H 1 74 LEU MD2 4.500 . 5.000 3.517 3.006 3.919 . 0 0 "[ . 1 . 2]" 1
457 1 74 LEU H 1 74 LEU HG 4.500 . 5.000 2.612 2.181 4.359 . 0 0 "[ . 1 . 2]" 1
458 1 74 LEU H 1 75 GLY H 4.340 . 4.840 2.709 2.523 2.843 . 0 0 "[ . 1 . 2]" 1
459 1 74 LEU HA 1 74 LEU MD2 4.130 . 4.630 2.150 1.978 3.347 . 0 0 "[ . 1 . 2]" 1
460 1 74 LEU HA 1 77 LEU H 4.740 . 5.240 3.229 3.165 3.320 . 0 0 "[ . 1 . 2]" 1
461 1 74 LEU HA 1 77 LEU MD1 4.170 . 4.670 2.318 2.080 2.566 . 0 0 "[ . 1 . 2]" 1
462 1 74 LEU HA 1 77 LEU MD2 4.800 . 5.300 3.768 3.248 3.896 . 0 0 "[ . 1 . 2]" 1
463 1 74 LEU HB2 1 75 GLY H 4.340 . 4.840 2.323 2.035 3.771 . 0 0 "[ . 1 . 2]" 1
464 1 74 LEU MD1 1 75 GLY H 4.880 . 5.380 4.038 3.832 4.236 . 0 0 "[ . 1 . 2]" 1
465 1 74 LEU MD1 1 78 VAL MG1 5.690 . 6.190 4.035 3.969 4.132 . 0 0 "[ . 1 . 2]" 1
466 1 74 LEU MD2 1 75 GLY H 5.050 . 5.550 4.210 2.829 4.395 . 0 0 "[ . 1 . 2]" 1
467 1 74 LEU MD2 1 77 LEU H 5.490 . 5.990 4.668 4.597 4.731 . 0 0 "[ . 1 . 2]" 1
468 1 74 LEU MD2 1 78 VAL MG1 5.550 . 6.050 3.094 1.994 3.607 . 0 0 "[ . 1 . 2]" 1
469 1 74 LEU HG 1 75 GLY H 4.540 . 5.040 4.228 4.019 4.542 . 0 0 "[ . 1 . 2]" 1
470 1 74 LEU HG 1 76 ARG H 5.800 . 6.300 5.874 5.798 5.979 . 0 0 "[ . 1 . 2]" 1
471 1 75 GLY H 1 75 GLY HA2 2.880 . 3.380 2.829 2.795 2.876 . 0 0 "[ . 1 . 2]" 1
472 1 75 GLY H 1 75 GLY HA3 2.830 . 3.330 2.342 2.294 2.377 . 0 0 "[ . 1 . 2]" 1
473 1 75 GLY H 1 76 ARG H 3.990 . 4.490 2.822 2.634 2.933 . 0 0 "[ . 1 . 2]" 1
474 1 75 GLY H 1 76 ARG HB2 5.700 . 6.200 5.212 5.036 5.355 . 0 0 "[ . 1 . 2]" 1
475 1 75 GLY H 1 76 ARG HG3 5.700 . 6.200 5.501 4.555 5.805 . 0 0 "[ . 1 . 2]" 1
476 1 75 GLY H 1 78 VAL MG2 6.190 . 6.690 5.064 4.610 5.235 . 0 0 "[ . 1 . 2]" 1
477 1 75 GLY HA2 1 78 VAL H 5.080 . 5.580 3.831 3.526 4.139 . 0 0 "[ . 1 . 2]" 1
478 1 75 GLY HA2 1 78 VAL MG1 4.440 . 4.940 2.559 2.115 2.870 . 0 0 "[ . 1 . 2]" 1
479 1 75 GLY HA2 1 78 VAL MG2 5.770 . 6.270 2.803 2.308 3.041 . 0 0 "[ . 1 . 2]" 1
480 1 75 GLY HA3 1 78 VAL H 5.600 . 6.100 5.042 4.672 5.317 . 0 0 "[ . 1 . 2]" 1
481 1 75 GLY HA3 1 78 VAL MG2 6.050 . 6.550 4.289 3.797 4.611 . 0 0 "[ . 1 . 2]" 1
482 1 76 ARG H 1 76 ARG HD2 5.370 . 5.870 4.890 3.573 5.230 . 0 0 "[ . 1 . 2]" 1
483 1 76 ARG H 1 76 ARG HD3 5.310 . 5.810 4.648 3.656 5.314 . 0 0 "[ . 1 . 2]" 1
484 1 76 ARG H 1 76 ARG HG2 4.270 . 4.770 2.974 2.416 4.225 . 0 0 "[ . 1 . 2]" 1
485 1 76 ARG H 1 76 ARG HG3 3.900 . 4.400 3.409 2.755 3.804 . 0 0 "[ . 1 . 2]" 1
486 1 76 ARG H 1 77 LEU H 4.220 . 4.720 2.287 2.194 2.399 . 0 0 "[ . 1 . 2]" 1
487 1 76 ARG H 1 77 LEU MD2 4.980 . 5.480 4.203 4.178 4.238 . 0 0 "[ . 1 . 2]" 1
488 1 76 ARG H 1 78 VAL H 5.050 . 5.550 3.822 3.721 3.928 . 0 0 "[ . 1 . 2]" 1
489 1 76 ARG H 1 78 VAL MG1 5.010 . 5.510 4.272 4.238 4.311 . 0 0 "[ . 1 . 2]" 1
490 1 76 ARG H 1 79 LYS H 5.840 . 6.340 4.573 4.362 4.733 . 0 0 "[ . 1 . 2]" 1
491 1 76 ARG HA 1 76 ARG HD3 5.010 . 5.510 3.377 2.223 4.590 . 0 0 "[ . 1 . 2]" 1
492 1 76 ARG HB2 1 77 LEU H 4.020 . 4.520 2.654 2.479 2.896 . 0 0 "[ . 1 . 2]" 1
493 1 76 ARG HB2 1 78 VAL H 5.020 . 5.520 5.114 5.054 5.185 . 0 0 "[ . 1 . 2]" 1
494 1 76 ARG HB3 1 76 ARG HD3 3.920 . 4.420 2.896 2.344 3.689 . 0 0 "[ . 1 . 2]" 1
495 1 76 ARG HB3 1 78 VAL H 5.860 . 6.360 5.778 5.619 5.901 . 0 0 "[ . 1 . 2]" 1
496 1 76 ARG HG2 1 77 LEU H 5.170 . 5.670 4.569 4.102 5.209 . 0 0 "[ . 1 . 2]" 1
497 1 76 ARG HG3 1 77 LEU H 4.830 . 5.330 4.654 4.408 4.894 . 0 0 "[ . 1 . 2]" 1
498 1 77 LEU H 1 77 LEU MD1 4.220 . 4.720 3.565 3.520 3.582 . 0 0 "[ . 1 . 2]" 1
499 1 77 LEU H 1 77 LEU MD2 4.170 . 4.670 2.510 2.413 2.646 . 0 0 "[ . 1 . 2]" 1
500 1 77 LEU H 1 77 LEU HG 5.330 . 5.830 1.940 1.881 2.000 . 0 0 "[ . 1 . 2]" 1
501 1 77 LEU H 1 78 VAL H 4.550 . 5.050 2.683 2.594 2.803 . 0 0 "[ . 1 . 2]" 1
502 1 77 LEU HA 1 77 LEU MD2 3.910 . 4.410 2.352 2.277 2.553 . 0 0 "[ . 1 . 2]" 1
503 1 77 LEU HA 1 79 LYS H 5.190 . 5.690 4.641 4.135 5.013 . 0 0 "[ . 1 . 2]" 1
504 1 77 LEU HA 1 80 LYS H 5.370 . 5.870 3.806 3.347 4.104 . 0 0 "[ . 1 . 2]" 1
505 1 77 LEU HA 1 82 MET H 4.980 . 5.480 3.961 3.741 4.334 . 0 0 "[ . 1 . 2]" 1
506 1 77 LEU HB2 1 78 VAL H 5.180 . 5.680 2.153 2.055 2.327 . 0 0 "[ . 1 . 2]" 1
507 1 77 LEU HB2 1 78 VAL MG2 5.860 . 6.360 4.911 4.845 4.961 . 0 0 "[ . 1 . 2]" 1
508 1 77 LEU HB2 1 82 MET H 5.400 . 5.900 4.949 4.564 5.405 . 0 0 "[ . 1 . 2]" 1
509 1 77 LEU HB2 1 83 LEU H 4.400 . 4.900 4.030 3.544 4.423 . 0 0 "[ . 1 . 2]" 1
510 1 77 LEU HB3 1 82 MET H 5.430 . 5.930 4.067 3.703 4.327 . 0 0 "[ . 1 . 2]" 1
511 1 77 LEU MD1 1 78 VAL H 4.590 . 5.090 3.909 3.871 3.937 . 0 0 "[ . 1 . 2]" 1
512 1 77 LEU MD2 1 78 VAL H 4.970 . 5.470 4.240 4.211 4.271 . 0 0 "[ . 1 . 2]" 1
513 1 77 LEU MD2 1 82 MET H 6.190 . 6.690 5.173 5.018 5.241 . 0 0 "[ . 1 . 2]" 1
514 1 77 LEU HG 1 78 VAL H 4.590 . 5.090 3.545 3.410 3.629 . 0 0 "[ . 1 . 2]" 1
515 1 78 VAL H 1 78 VAL HB 4.110 . 4.610 3.638 3.524 3.751 . 0 0 "[ . 1 . 2]" 1
516 1 78 VAL H 1 78 VAL MG1 3.990 . 4.490 2.137 2.071 2.271 . 0 0 "[ . 1 . 2]" 1
517 1 78 VAL H 1 78 VAL MG2 4.270 . 4.770 3.317 3.173 3.476 . 0 0 "[ . 1 . 2]" 1
518 1 78 VAL H 1 79 LYS H 4.200 . 4.700 2.895 2.797 2.998 . 0 0 "[ . 1 . 2]" 1
519 1 78 VAL H 1 82 MET QB 5.730 . 6.230 4.786 4.365 5.152 . 0 0 "[ . 1 . 2]" 1
520 1 78 VAL HA 1 81 GLU H 5.700 . 6.200 4.184 3.321 5.706 . 0 0 "[ . 1 . 2]" 1
521 1 78 VAL HA 1 82 MET H 5.120 . 5.620 3.807 3.129 4.860 . 0 0 "[ . 1 . 2]" 1
522 1 78 VAL HA 1 83 LEU H 4.280 . 4.780 2.976 2.557 3.680 . 0 0 "[ . 1 . 2]" 1
523 1 78 VAL HB 1 79 LYS H 4.730 . 5.230 4.400 4.231 4.549 . 0 0 "[ . 1 . 2]" 1
524 1 78 VAL MG1 1 79 LYS H 4.600 . 5.100 3.679 3.525 3.863 . 0 0 "[ . 1 . 2]" 1
525 1 78 VAL MG1 1 85 THR MG 3.370 . 3.870 2.372 2.341 2.417 . 0 0 "[ . 1 . 2]" 1
526 1 78 VAL MG1 1 94 TYR QE 4.640 . 5.140 2.516 2.154 3.104 . 0 0 "[ . 1 . 2]" 1
527 1 78 VAL MG2 1 79 LYS H 4.140 . 4.640 2.806 2.438 3.094 . 0 0 "[ . 1 . 2]" 1
528 1 78 VAL MG2 1 79 LYS HA 4.320 . 4.820 3.524 3.348 3.683 . 0 0 "[ . 1 . 2]" 1
529 1 78 VAL MG2 1 79 LYS QD 4.110 . 4.610 2.874 2.490 3.092 . 0 0 "[ . 1 . 2]" 1
530 1 78 VAL MG2 1 79 LYS HG3 5.830 . 6.330 4.629 4.059 4.918 . 0 0 "[ . 1 . 2]" 1
531 1 78 VAL MG2 1 85 THR H 4.800 . 5.300 4.074 4.016 4.141 . 0 0 "[ . 1 . 2]" 1
532 1 79 LYS H 1 79 LYS QD 3.960 . 4.460 3.318 2.862 3.562 . 0 0 "[ . 1 . 2]" 1
533 1 79 LYS H 1 79 LYS QE 4.890 . 5.390 3.945 2.647 4.494 . 0 0 "[ . 1 . 2]" 1
534 1 79 LYS H 1 79 LYS HG2 4.390 . 4.890 3.517 2.193 4.469 . 0 0 "[ . 1 . 2]" 1
535 1 79 LYS H 1 79 LYS HG3 4.510 . 5.010 4.109 3.474 4.395 . 0 0 "[ . 1 . 2]" 1
536 1 79 LYS H 1 80 LYS H 3.910 . 4.410 2.598 2.350 2.801 . 0 0 "[ . 1 . 2]" 1
537 1 79 LYS HA 1 79 LYS QD 3.590 . 4.090 2.217 1.997 3.313 . 0 0 "[ . 1 . 2]" 1
538 1 79 LYS HA 1 79 LYS QE 4.480 . 4.980 3.009 1.931 4.050 . 0 0 "[ . 1 . 2]" 1
539 1 79 LYS HA 1 79 LYS HG2 4.200 . 4.700 3.337 3.028 3.594 . 0 0 "[ . 1 . 2]" 1
540 1 79 LYS HA 1 79 LYS HG3 4.110 . 4.610 2.997 2.172 3.773 . 0 0 "[ . 1 . 2]" 1
541 1 79 LYS QB 1 79 LYS QE 2.820 . 3.320 2.159 1.915 2.422 . 0 0 "[ . 1 . 2]" 1
542 1 79 LYS QB 1 79 LYS HG3 2.400 . 2.900 2.227 2.158 2.339 . 0 0 "[ . 1 . 2]" 1
543 1 79 LYS QB 1 80 LYS H 4.390 . 4.890 3.110 2.520 3.382 . 0 0 "[ . 1 . 2]" 1
544 1 79 LYS QD 1 80 LYS H 5.290 . 5.790 4.820 4.744 4.900 . 0 0 "[ . 1 . 2]" 1
545 1 79 LYS QE 1 79 LYS HG2 3.640 . 4.140 2.826 2.107 3.327 . 0 0 "[ . 1 . 2]" 1
546 1 79 LYS QE 1 79 LYS HG3 3.670 . 4.170 2.807 2.084 3.389 . 0 0 "[ . 1 . 2]" 1
547 1 79 LYS HG2 1 80 LYS H 5.260 . 5.760 5.068 4.622 5.409 . 0 0 "[ . 1 . 2]" 1
548 1 79 LYS HG3 1 80 LYS H 6.140 . 6.640 5.226 4.631 5.730 . 0 0 "[ . 1 . 2]" 1
549 1 80 LYS HA 1 82 MET H 5.350 . 5.850 4.959 4.579 5.465 . 0 0 "[ . 1 . 2]" 1
550 1 80 LYS QB 1 81 GLU H 4.260 . 4.760 3.080 1.691 3.839 0.109 16 0 "[ . 1 . 2]" 1
551 1 80 LYS QB 1 82 MET H 4.130 . 4.630 3.558 3.082 3.774 . 0 0 "[ . 1 . 2]" 1
552 1 81 GLU H 1 82 MET H 3.900 . 4.400 2.698 1.817 3.233 . 0 0 "[ . 1 . 2]" 1
553 1 81 GLU HA 1 83 LEU H 5.190 . 5.690 4.219 3.540 5.065 . 0 0 "[ . 1 . 2]" 1
554 1 82 MET H 1 82 MET QG 3.740 . 4.240 2.634 1.954 3.517 . 0 0 "[ . 1 . 2]" 1
555 1 82 MET H 1 83 LEU H 3.680 . 4.180 2.471 2.148 3.385 . 0 0 "[ . 1 . 2]" 1
556 1 82 MET H 1 83 LEU MD2 5.550 . 6.050 4.563 3.942 4.812 . 0 0 "[ . 1 . 2]" 1
557 1 82 MET HA 1 82 MET QG 3.640 . 4.140 2.768 2.255 3.292 . 0 0 "[ . 1 . 2]" 1
558 1 82 MET QB 1 83 LEU H 4.340 . 4.840 2.446 1.919 3.204 . 0 0 "[ . 1 . 2]" 1
559 1 82 MET QG 1 83 LEU H 4.220 . 4.720 3.645 2.460 3.954 . 0 0 "[ . 1 . 2]" 1
560 1 83 LEU H 1 83 LEU MD2 3.950 . 4.450 2.988 2.221 3.368 . 0 0 "[ . 1 . 2]" 1
561 1 83 LEU H 1 84 SER H 5.180 . 5.680 4.448 4.327 4.600 . 0 0 "[ . 1 . 2]" 1
562 1 83 LEU HB2 1 84 SER H 4.330 . 4.830 3.147 2.318 4.273 . 0 0 "[ . 1 . 2]" 1
563 1 83 LEU HB3 1 84 SER H 4.290 . 4.790 2.895 2.251 3.788 . 0 0 "[ . 1 . 2]" 1
564 1 83 LEU MD2 1 84 SER H 4.290 . 4.790 3.648 3.602 3.708 . 0 0 "[ . 1 . 2]" 1
565 1 84 SER H 1 85 THR H 5.030 . 5.530 4.469 4.388 4.560 . 0 0 "[ . 1 . 2]" 1
566 1 84 SER H 1 95 ARG H 4.630 . 5.130 3.525 3.280 3.895 . 0 0 "[ . 1 . 2]" 1
567 1 84 SER H 1 95 ARG QB 5.980 . 6.480 4.914 3.771 5.362 . 0 0 "[ . 1 . 2]" 1
568 1 84 SER H 1 95 ARG O 2.000 . 2.500 2.001 1.833 2.085 . 0 0 "[ . 1 . 2]" 1
569 1 84 SER HA 1 85 THR H 3.280 . 3.780 2.435 2.262 2.522 . 0 0 "[ . 1 . 2]" 1
570 1 84 SER HA 1 85 THR MG 3.840 . 4.340 3.199 3.071 3.248 . 0 0 "[ . 1 . 2]" 1
571 1 84 SER HB2 1 85 THR H 3.850 . 4.350 3.410 2.791 3.593 . 0 0 "[ . 1 . 2]" 1
572 1 84 SER HB2 1 86 GLU H 6.250 . 6.750 6.169 5.294 6.347 . 0 0 "[ . 1 . 2]" 1
573 1 84 SER HB2 1 97 LEU MD2 4.170 . 4.670 2.671 2.078 3.644 . 0 0 "[ . 1 . 2]" 1
574 1 84 SER HB3 1 85 THR H 3.880 . 4.380 2.209 2.077 2.518 . 0 0 "[ . 1 . 2]" 1
575 1 84 SER HB3 1 85 THR MG 4.820 . 5.320 4.045 3.987 4.239 . 0 0 "[ . 1 . 2]" 1
576 1 84 SER HB3 1 97 LEU MD2 4.160 . 4.660 3.428 2.852 3.711 . 0 0 "[ . 1 . 2]" 1
577 1 84 SER N 1 95 ARG O 3.000 . 3.500 2.960 2.828 3.054 . 0 0 "[ . 1 . 2]" 1
578 1 85 THR H 1 85 THR MG 3.950 . 4.450 2.194 2.030 2.296 . 0 0 "[ . 1 . 2]" 1
579 1 85 THR HA 1 93 VAL H 5.170 . 5.670 4.567 4.331 4.928 . 0 0 "[ . 1 . 2]" 1
580 1 85 THR HA 1 94 TYR HA 4.280 . 4.780 2.432 2.273 2.548 . 0 0 "[ . 1 . 2]" 1
581 1 85 THR HA 1 94 TYR QD 5.310 . 5.810 4.233 4.003 4.475 . 0 0 "[ . 1 . 2]" 1
582 1 85 THR HA 1 95 ARG H 2.860 . 3.360 2.867 2.547 2.971 . 0 0 "[ . 1 . 2]" 1
583 1 85 THR HB 1 86 GLU H 4.080 . 4.580 3.931 3.752 4.141 . 0 0 "[ . 1 . 2]" 1
584 1 85 THR MG 1 86 GLU H 4.680 . 5.180 3.909 3.738 3.987 . 0 0 "[ . 1 . 2]" 1
585 1 85 THR MG 1 92 PHE QD 4.850 . 5.350 3.416 2.985 3.666 . 0 0 "[ . 1 . 2]" 1
586 1 85 THR MG 1 92 PHE QE 5.010 . 5.510 3.612 2.630 3.767 . 0 0 "[ . 1 . 2]" 1
587 1 85 THR MG 1 94 TYR QD 4.840 . 5.340 3.418 2.907 3.620 . 0 0 "[ . 1 . 2]" 1
588 1 85 THR MG 1 94 TYR QE 4.990 . 5.490 2.581 2.372 2.791 . 0 0 "[ . 1 . 2]" 1
589 1 85 THR MG 1 95 ARG H 6.000 . 6.500 5.007 4.825 5.050 . 0 0 "[ . 1 . 2]" 1
590 1 86 GLU H 1 86 GLU QG 3.970 . 4.470 2.940 2.234 3.544 . 0 0 "[ . 1 . 2]" 1
591 1 86 GLU H 1 92 PHE HA 5.270 . 5.770 4.643 4.331 5.053 . 0 0 "[ . 1 . 2]" 1
592 1 86 GLU H 1 92 PHE QD 6.250 . 6.750 3.611 3.084 4.217 . 0 0 "[ . 1 . 2]" 1
593 1 86 GLU H 1 93 VAL H 4.320 . 4.820 2.934 2.634 3.224 . 0 0 "[ . 1 . 2]" 1
594 1 86 GLU H 1 93 VAL HA 6.230 . 6.730 4.773 4.550 4.989 . 0 0 "[ . 1 . 2]" 1
595 1 86 GLU H 1 93 VAL QG 4.870 . 5.370 3.552 2.735 3.729 . 0 0 "[ . 1 . 2]" 1
596 1 86 GLU H 1 93 VAL O 2.000 . 2.500 1.968 1.844 2.097 . 0 0 "[ . 1 . 2]" 1
597 1 86 GLU H 1 94 TYR HA 3.920 . 4.420 3.869 3.691 4.018 . 0 0 "[ . 1 . 2]" 1
598 1 86 GLU H 1 94 TYR QD 6.250 . 6.750 5.276 5.057 5.479 . 0 0 "[ . 1 . 2]" 1
599 1 86 GLU HA 1 93 VAL H 5.140 . 5.640 4.718 4.513 4.901 . 0 0 "[ . 1 . 2]" 1
600 1 86 GLU HB2 1 87 LYS H 5.150 . 5.650 3.259 2.160 4.076 . 0 0 "[ . 1 . 2]" 1
601 1 86 GLU HB2 1 88 GLU H 6.020 . 6.520 5.939 5.441 6.107 . 0 0 "[ . 1 . 2]" 1
602 1 86 GLU QG 1 87 LYS H 5.090 . 5.590 3.920 3.337 4.391 . 0 0 "[ . 1 . 2]" 1
603 1 86 GLU N 1 93 VAL O 3.000 . 3.500 2.938 2.839 3.045 . 0 0 "[ . 1 . 2]" 1
604 1 86 GLU O 1 93 VAL H 2.000 . 2.500 1.820 1.773 1.889 0.027 1 0 "[ . 1 . 2]" 1
605 1 86 GLU O 1 93 VAL N 3.000 . 3.500 2.814 2.771 2.885 . 0 0 "[ . 1 . 2]" 1
606 1 87 LYS H 1 87 LYS HD3 5.410 . 5.910 4.997 4.550 5.323 . 0 0 "[ . 1 . 2]" 1
607 1 87 LYS H 1 87 LYS QE 6.260 . 6.760 5.456 4.351 5.777 . 0 0 "[ . 1 . 2]" 1
608 1 87 LYS H 1 87 LYS HG3 5.370 . 5.870 4.421 3.970 4.669 . 0 0 "[ . 1 . 2]" 1
609 1 87 LYS HA 1 87 LYS HD2 4.390 . 4.890 4.371 4.081 4.476 . 0 0 "[ . 1 . 2]" 1
610 1 87 LYS HA 1 87 LYS HD3 4.680 . 5.180 4.471 2.818 4.696 . 0 0 "[ . 1 . 2]" 1
611 1 87 LYS HA 1 87 LYS QE 5.390 . 5.890 4.098 2.814 4.802 . 0 0 "[ . 1 . 2]" 1
612 1 87 LYS HA 1 92 PHE H 5.240 . 5.740 5.014 4.725 5.260 . 0 0 "[ . 1 . 2]" 1
613 1 87 LYS HA 1 92 PHE HA 4.240 . 4.740 2.403 2.189 2.690 . 0 0 "[ . 1 . 2]" 1
614 1 87 LYS HA 1 93 VAL H 5.030 . 5.530 3.517 3.045 3.821 . 0 0 "[ . 1 . 2]" 1
615 1 87 LYS HB2 1 87 LYS HD3 3.400 . 3.900 3.232 2.240 3.595 . 0 0 "[ . 1 . 2]" 1
616 1 87 LYS HB2 1 87 LYS QE 4.110 . 4.610 3.687 3.495 3.846 . 0 0 "[ . 1 . 2]" 1
617 1 87 LYS HB2 1 88 GLU H 5.020 . 5.520 4.370 4.181 4.538 . 0 0 "[ . 1 . 2]" 1
618 1 87 LYS HB3 1 87 LYS HD2 3.820 . 4.320 2.971 2.572 3.825 . 0 0 "[ . 1 . 2]" 1
619 1 87 LYS HB3 1 88 GLU H 4.480 . 4.980 4.102 3.504 4.406 . 0 0 "[ . 1 . 2]" 1
620 1 87 LYS HD3 1 88 GLU H 5.210 . 5.710 5.105 2.772 5.340 . 0 0 "[ . 1 . 2]" 1
621 1 87 LYS QE 1 88 GLU H 5.430 . 5.930 4.374 2.484 4.927 . 0 0 "[ . 1 . 2]" 1
622 1 87 LYS HG2 1 88 GLU H 4.980 . 5.480 3.093 2.828 3.712 . 0 0 "[ . 1 . 2]" 1
623 1 87 LYS HG3 1 88 GLU H 5.250 . 5.750 3.802 2.970 5.100 . 0 0 "[ . 1 . 2]" 1
624 1 88 GLU H 1 88 GLU HG2 4.360 . 4.860 3.979 3.370 4.494 . 0 0 "[ . 1 . 2]" 1
625 1 88 GLU H 1 88 GLU HG3 4.740 . 5.240 4.650 4.120 4.880 . 0 0 "[ . 1 . 2]" 1
626 1 88 GLU H 1 91 LYS O 2.000 . 2.500 1.979 1.832 2.082 . 0 0 "[ . 1 . 2]" 1
627 1 88 GLU H 1 92 PHE HA 4.550 . 5.050 3.007 2.730 3.327 . 0 0 "[ . 1 . 2]" 1
628 1 88 GLU H 1 92 PHE QD 5.610 . 6.110 4.856 4.061 5.097 . 0 0 "[ . 1 . 2]" 1
629 1 88 GLU H 1 93 VAL H 4.520 . 5.020 4.057 3.408 4.538 . 0 0 "[ . 1 . 2]" 1
630 1 88 GLU H 1 93 VAL QG 4.900 . 5.400 3.667 3.409 3.737 . 0 0 "[ . 1 . 2]" 1
631 1 88 GLU HA 1 88 GLU HG2 3.570 . 4.070 2.530 2.137 2.927 . 0 0 "[ . 1 . 2]" 1
632 1 88 GLU HA 1 88 GLU HG3 3.990 . 4.490 3.593 3.083 3.777 . 0 0 "[ . 1 . 2]" 1
633 1 88 GLU HB2 1 88 GLU HG2 2.700 . 3.200 2.566 2.408 2.777 . 0 0 "[ . 1 . 2]" 1
634 1 88 GLU N 1 91 LYS O 3.000 . 3.500 2.935 2.819 3.028 . 0 0 "[ . 1 . 2]" 1
635 1 90 ARG QB 1 91 LYS H 4.450 . 4.950 3.266 2.515 3.966 . 0 0 "[ . 1 . 2]" 1
636 1 91 LYS H 1 91 LYS QD 4.490 . 4.990 4.015 3.537 4.167 . 0 0 "[ . 1 . 2]" 1
637 1 91 LYS H 1 91 LYS QG 4.190 . 4.690 3.518 2.457 3.986 . 0 0 "[ . 1 . 2]" 1
638 1 91 LYS HA 1 91 LYS QD 4.460 . 4.960 3.447 1.963 4.080 . 0 0 "[ . 1 . 2]" 1
639 1 91 LYS HA 1 91 LYS QG 3.730 . 4.230 2.376 1.954 3.332 . 0 0 "[ . 1 . 2]" 1
640 1 91 LYS QB 1 92 PHE H 3.950 . 4.450 2.445 1.927 3.451 . 0 0 "[ . 1 . 2]" 1
641 1 91 LYS QD 1 92 PHE H 4.620 . 5.120 3.949 3.006 4.283 . 0 0 "[ . 1 . 2]" 1
642 1 91 LYS QG 1 92 PHE H 4.300 . 4.800 2.696 1.766 3.840 0.034 19 0 "[ . 1 . 2]" 1
643 1 92 PHE H 1 92 PHE QD 4.570 . 5.070 3.270 2.888 4.031 . 0 0 "[ . 1 . 2]" 1
644 1 92 PHE H 1 93 VAL H 5.210 . 5.710 4.461 4.256 4.553 . 0 0 "[ . 1 . 2]" 1
645 1 92 PHE H 1 93 VAL HA 5.210 . 5.710 5.093 4.674 5.277 . 0 0 "[ . 1 . 2]" 1
646 1 92 PHE HA 1 92 PHE QE 4.800 . 5.300 4.354 4.318 4.379 . 0 0 "[ . 1 . 2]" 1
647 1 92 PHE HB2 1 93 VAL H 4.760 . 5.260 4.094 3.764 4.565 . 0 0 "[ . 1 . 2]" 1
648 1 92 PHE HB3 1 93 VAL H 4.900 . 5.400 2.891 2.424 3.654 . 0 0 "[ . 1 . 2]" 1
649 1 92 PHE QD 1 93 VAL H 5.320 . 5.820 3.162 2.059 3.717 . 0 0 "[ . 1 . 2]" 1
650 1 93 VAL H 1 94 TYR H 4.950 . 5.450 4.275 4.023 4.477 . 0 0 "[ . 1 . 2]" 1
651 1 93 VAL HB 1 94 TYR H 4.440 . 4.940 4.220 3.679 4.455 . 0 0 "[ . 1 . 2]" 1
652 1 93 VAL QG 1 94 TYR H 3.990 . 4.490 2.626 2.189 2.974 . 0 0 "[ . 1 . 2]" 1
653 1 93 VAL QG 1 95 ARG H 5.110 . 5.610 3.861 3.805 3.927 . 0 0 "[ . 1 . 2]" 1
654 1 94 TYR H 1 94 TYR QD 4.260 . 4.760 2.690 2.511 3.004 . 0 0 "[ . 1 . 2]" 1
655 1 94 TYR H 1 94 TYR QE 5.400 . 5.900 4.819 4.657 4.921 . 0 0 "[ . 1 . 2]" 1
656 1 94 TYR HA 1 95 ARG H 2.520 . 3.020 2.100 2.003 2.178 . 0 0 "[ . 1 . 2]" 1
657 1 94 TYR HB2 1 95 ARG H 5.740 . 6.240 4.401 4.297 4.510 . 0 0 "[ . 1 . 2]" 1
658 1 94 TYR QD 1 95 ARG H 5.990 . 6.490 4.308 3.883 4.687 . 0 0 "[ . 1 . 2]" 1
659 1 97 LEU H 1 97 LEU MD1 5.040 . 5.540 3.589 2.238 4.321 . 0 0 "[ . 1 . 2]" 1
660 1 97 LEU H 1 97 LEU MD2 4.320 . 4.820 3.348 2.470 3.742 . 0 0 "[ . 1 . 2]" 1
661 1 97 LEU H 1 97 LEU HG 5.100 . 5.600 3.852 2.104 4.863 . 0 0 "[ . 1 . 2]" 1
662 1 97 LEU HA 1 97 LEU HB3 2.920 . 3.420 2.647 2.127 2.937 . 0 0 "[ . 1 . 2]" 1
663 1 97 LEU HA 1 97 LEU MD1 4.000 . 4.500 2.499 2.002 3.510 . 0 0 "[ . 1 . 2]" 1
664 1 97 LEU HA 1 97 LEU MD2 4.250 . 4.750 2.885 2.095 3.777 . 0 0 "[ . 1 . 2]" 1
665 1 97 LEU HB3 1 97 LEU HG 2.400 . 2.900 2.412 2.329 2.540 . 0 0 "[ . 1 . 2]" 1
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