NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435480 |
2jz6   |
15609 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jz6
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 695
_Distance_constraint_stats_list.Viol_count 744
_Distance_constraint_stats_list.Viol_total 732.583
_Distance_constraint_stats_list.Viol_max 0.240
_Distance_constraint_stats_list.Viol_rms 0.0144
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0492
_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 5 ILE 0.040 0.022 15 0 "[ . 1 . 2]"
1 8 LYS 0.151 0.064 6 0 "[ . 1 . 2]"
1 9 ARG 2.002 0.193 18 0 "[ . 1 . 2]"
1 10 CYS 1.975 0.130 7 0 "[ . 1 . 2]"
1 11 GLU 2.139 0.240 7 0 "[ . 1 . 2]"
1 12 VAL 1.177 0.130 7 0 "[ . 1 . 2]"
1 13 CYS 0.333 0.082 8 0 "[ . 1 . 2]"
1 14 GLY 0.005 0.005 18 0 "[ . 1 . 2]"
1 15 LYS 0.307 0.040 20 0 "[ . 1 . 2]"
1 16 ALA 0.136 0.086 8 0 "[ . 1 . 2]"
1 17 PRO 1.023 0.137 1 0 "[ . 1 . 2]"
1 32 ARG 0.029 0.022 13 0 "[ . 1 . 2]"
1 33 TRP 1.662 0.151 6 0 "[ . 1 . 2]"
1 34 PHE 0.268 0.157 12 0 "[ . 1 . 2]"
1 35 ARG 0.846 0.221 15 0 "[ . 1 . 2]"
1 36 PRO 0.010 0.010 17 0 "[ . 1 . 2]"
1 37 ASN 0.144 0.120 8 0 "[ . 1 . 2]"
1 38 LEU 3.859 0.221 15 0 "[ . 1 . 2]"
1 39 GLN 4.228 0.162 19 0 "[ . 1 . 2]"
1 40 LYS 2.297 0.173 8 0 "[ . 1 . 2]"
1 41 VAL 0.540 0.173 8 0 "[ . 1 . 2]"
1 42 ARG 1.679 0.169 4 0 "[ . 1 . 2]"
1 43 VAL 0.566 0.060 2 0 "[ . 1 . 2]"
1 44 VAL 1.145 0.205 20 0 "[ . 1 . 2]"
1 45 LEU 2.424 0.092 20 0 "[ . 1 . 2]"
1 46 PRO 0.325 0.049 3 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.020 0.016 10 0 "[ . 1 . 2]"
1 49 THR 3.899 0.167 9 0 "[ . 1 . 2]"
1 50 ILE 2.875 0.167 9 0 "[ . 1 . 2]"
1 51 LYS 0.952 0.134 8 0 "[ . 1 . 2]"
1 52 ARG 2.755 0.160 20 0 "[ . 1 . 2]"
1 53 MET 3.463 0.169 4 0 "[ . 1 . 2]"
1 54 ARG 1.867 0.097 6 0 "[ . 1 . 2]"
1 55 VAL 2.698 0.140 5 0 "[ . 1 . 2]"
1 56 CYS 1.673 0.181 11 0 "[ . 1 . 2]"
1 57 THR 2.102 0.133 12 0 "[ . 1 . 2]"
1 58 SER 0.056 0.029 17 0 "[ . 1 . 2]"
1 59 CYS 3.344 0.180 16 0 "[ . 1 . 2]"
1 60 LEU 2.735 0.133 12 0 "[ . 1 . 2]"
1 61 LYS 0.577 0.046 8 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.180 0.073 4 0 "[ . 1 . 2]"
1 64 LYS 0.930 0.180 16 0 "[ . 1 . 2]"
1 65 VAL 1.096 0.137 6 0 "[ . 1 . 2]"
1 66 LYS 0.535 0.070 9 0 "[ . 1 . 2]"
1 67 LYS 2.177 0.205 20 0 "[ . 1 . 2]"
1 68 TYR 0.858 0.159 5 0 "[ . 1 . 2]"
1 69 VAL 0.921 0.159 5 0 "[ . 1 . 2]"
1 70 GLY 0.096 0.092 9 0 "[ . 1 . 2]"
1 71 GLN 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 5 ILE H 1 5 ILE HB 3.000 . 4.200 3.090 2.417 3.768 . 0 0 "[ . 1 . 2]" 1
2 1 5 ILE H 1 5 ILE HG12 3.900 . 6.000 3.500 1.982 4.534 . 0 0 "[ . 1 . 2]" 1
3 1 5 ILE H 1 5 ILE QG 3.730 . 5.670 2.891 1.772 4.153 0.018 15 0 "[ . 1 . 2]" 1
4 1 5 ILE H 1 5 ILE HG13 3.900 . 6.000 3.402 1.778 4.818 0.022 15 0 "[ . 1 . 2]" 1
5 1 8 LYS H 1 8 LYS QD 3.780 . 5.770 3.707 1.726 5.046 0.064 6 0 "[ . 1 . 2]" 1
6 1 8 LYS H 1 8 LYS QG 4.340 . 6.880 3.131 2.056 4.206 . 0 0 "[ . 1 . 2]" 1
7 1 8 LYS HA 1 8 LYS QD 3.960 . 6.130 3.800 2.388 4.251 . 0 0 "[ . 1 . 2]" 1
8 1 8 LYS HA 1 8 LYS QG 2.800 . 3.810 2.703 2.119 3.531 . 0 0 "[ . 1 . 2]" 1
9 1 8 LYS HA 1 9 ARG H 2.330 . 2.870 2.285 2.099 2.803 . 0 0 "[ . 1 . 2]" 1
10 1 8 LYS HA 1 38 LEU MD1 4.410 . 7.020 3.340 2.114 4.906 . 0 0 "[ . 1 . 2]" 1
11 1 9 ARG H 1 9 ARG HB2 2.780 . 3.770 3.444 2.395 3.896 0.126 6 0 "[ . 1 . 2]" 1
12 1 9 ARG H 1 9 ARG QB 2.620 . 3.450 2.869 2.360 3.221 . 0 0 "[ . 1 . 2]" 1
13 1 9 ARG H 1 9 ARG HB3 2.780 . 3.770 3.280 2.493 3.770 0.000 5 0 "[ . 1 . 2]" 1
14 1 9 ARG H 1 9 ARG QD 4.050 . 6.310 3.653 1.683 4.366 0.107 18 0 "[ . 1 . 2]" 1
15 1 9 ARG H 1 9 ARG HG2 2.640 . 3.480 2.738 1.970 3.567 0.087 10 0 "[ . 1 . 2]" 1
16 1 9 ARG H 1 9 ARG HG3 2.640 . 3.480 2.867 1.794 3.673 0.193 18 0 "[ . 1 . 2]" 1
17 1 9 ARG H 1 38 LEU MD1 3.620 . 5.440 3.553 2.152 5.014 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG HA 1 9 ARG QD 4.340 . 6.880 3.787 2.148 4.553 . 0 0 "[ . 1 . 2]" 1
19 1 9 ARG HA 1 10 CYS H 2.420 . 3.050 2.487 2.324 2.835 . 0 0 "[ . 1 . 2]" 1
20 1 9 ARG HA 1 16 ALA MB 3.380 . 4.970 4.053 2.599 5.056 0.086 8 0 "[ . 1 . 2]" 1
21 1 9 ARG HA 1 38 LEU MD1 4.410 . 7.020 3.793 2.658 4.848 . 0 0 "[ . 1 . 2]" 1
22 1 9 ARG HA 1 38 LEU MD2 4.410 . 7.020 3.483 2.912 4.273 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG QB 1 10 CYS H 2.910 . 4.020 2.307 1.782 2.693 0.018 16 0 "[ . 1 . 2]" 1
24 1 9 ARG QB 1 14 GLY QA 3.930 . 6.060 2.870 2.124 3.915 . 0 0 "[ . 1 . 2]" 1
25 1 9 ARG HB2 1 10 CYS H 3.050 . 4.310 2.593 1.789 3.587 0.001 16 0 "[ . 1 . 2]" 1
26 1 9 ARG HB2 1 14 GLY HA2 4.490 . 7.180 3.132 2.156 4.636 . 0 0 "[ . 1 . 2]" 1
27 1 9 ARG HB2 1 14 GLY HA3 4.490 . 7.180 4.474 3.567 6.117 . 0 0 "[ . 1 . 2]" 1
28 1 9 ARG HB3 1 10 CYS H 3.050 . 4.310 3.340 2.172 4.021 . 0 0 "[ . 1 . 2]" 1
29 1 9 ARG HB3 1 14 GLY HA2 4.490 . 7.180 4.145 2.392 5.632 . 0 0 "[ . 1 . 2]" 1
30 1 9 ARG HB3 1 14 GLY HA3 4.490 . 7.180 5.318 3.632 6.871 . 0 0 "[ . 1 . 2]" 1
31 1 9 ARG QD 1 38 LEU MD2 4.850 . 7.900 5.623 4.436 6.396 . 0 0 "[ . 1 . 2]" 1
32 1 9 ARG QG 1 10 CYS H 3.190 . 4.580 3.827 3.167 4.347 . 0 0 "[ . 1 . 2]" 1
33 1 9 ARG QG 1 14 GLY QA 4.420 . 7.040 3.513 2.704 4.697 . 0 0 "[ . 1 . 2]" 1
34 1 9 ARG HG2 1 10 CYS H 3.300 . 4.810 4.582 3.616 4.863 0.053 11 0 "[ . 1 . 2]" 1
35 1 9 ARG HG3 1 10 CYS H 3.300 . 4.810 4.222 3.263 4.934 0.124 12 0 "[ . 1 . 2]" 1
36 1 10 CYS H 1 10 CYS HB2 2.550 . 3.300 2.576 2.465 2.738 . 0 0 "[ . 1 . 2]" 1
37 1 10 CYS H 1 10 CYS HB3 2.480 . 3.160 2.530 2.437 2.655 . 0 0 "[ . 1 . 2]" 1
38 1 10 CYS H 1 11 GLU H 3.450 . 5.100 4.528 4.390 4.643 . 0 0 "[ . 1 . 2]" 1
39 1 10 CYS H 1 15 LYS H 3.340 . 4.880 3.680 3.016 4.548 . 0 0 "[ . 1 . 2]" 1
40 1 10 CYS H 1 16 ALA HA 3.050 . 4.310 3.485 2.832 4.360 0.050 12 0 "[ . 1 . 2]" 1
41 1 10 CYS H 1 16 ALA MB 4.410 . 7.020 4.828 4.077 5.182 . 0 0 "[ . 1 . 2]" 1
42 1 10 CYS H 1 17 PRO QD 3.910 . 6.020 3.507 2.762 4.201 . 0 0 "[ . 1 . 2]" 1
43 1 10 CYS H 1 17 PRO QG 4.230 . 6.670 4.945 3.938 5.896 . 0 0 "[ . 1 . 2]" 1
44 1 10 CYS H 1 38 LEU MD1 3.830 . 5.870 4.789 3.795 5.627 . 0 0 "[ . 1 . 2]" 1
45 1 10 CYS H 1 38 LEU MD2 3.450 . 5.110 3.538 2.910 4.100 . 0 0 "[ . 1 . 2]" 1
46 1 10 CYS H 1 56 CYS H 3.900 . 6.000 5.062 4.363 5.917 . 0 0 "[ . 1 . 2]" 1
47 1 10 CYS H 1 56 CYS QB 3.820 . 5.840 3.977 3.393 4.773 . 0 0 "[ . 1 . 2]" 1
48 1 10 CYS HA 1 11 GLU H 2.310 . 2.830 2.171 2.124 2.253 . 0 0 "[ . 1 . 2]" 1
49 1 10 CYS HA 1 11 GLU HG3 3.900 . 6.000 3.835 3.476 5.051 . 0 0 "[ . 1 . 2]" 1
50 1 10 CYS HA 1 12 VAL H 3.200 . 4.600 3.641 3.442 3.821 . 0 0 "[ . 1 . 2]" 1
51 1 10 CYS HA 1 38 LEU MD1 3.670 . 5.540 4.137 2.872 4.948 . 0 0 "[ . 1 . 2]" 1
52 1 10 CYS HA 1 38 LEU MD2 3.400 . 5.000 2.680 2.022 3.044 . 0 0 "[ . 1 . 2]" 1
53 1 10 CYS HA 1 55 VAL HA 2.890 . 3.980 3.158 2.531 4.026 0.046 18 0 "[ . 1 . 2]" 1
54 1 10 CYS HA 1 56 CYS H 3.140 . 4.490 3.718 3.247 4.361 . 0 0 "[ . 1 . 2]" 1
55 1 10 CYS HB2 1 11 GLU H 3.070 . 4.340 4.232 4.027 4.351 0.011 15 0 "[ . 1 . 2]" 1
56 1 10 CYS HB2 1 12 VAL H 3.340 . 4.880 4.330 4.137 4.517 . 0 0 "[ . 1 . 2]" 1
57 1 10 CYS HB2 1 13 CYS H 3.090 . 4.380 4.298 4.019 4.462 0.082 8 0 "[ . 1 . 2]" 1
58 1 10 CYS HB2 1 14 GLY H 3.430 . 5.060 4.098 3.534 4.714 . 0 0 "[ . 1 . 2]" 1
59 1 10 CYS HB2 1 15 LYS H 2.960 . 4.130 3.790 2.897 4.165 0.035 1 0 "[ . 1 . 2]" 1
60 1 10 CYS HB2 1 15 LYS QG 4.340 . 6.880 5.255 3.892 5.936 . 0 0 "[ . 1 . 2]" 1
61 1 10 CYS HB2 1 38 LEU MD2 3.580 . 5.360 3.532 2.621 4.024 . 0 0 "[ . 1 . 2]" 1
62 1 10 CYS HB2 1 56 CYS H 3.090 . 4.380 2.661 2.065 3.349 . 0 0 "[ . 1 . 2]" 1
63 1 10 CYS HB2 1 56 CYS HB2 3.180 . 4.560 3.927 2.023 4.594 0.034 11 0 "[ . 1 . 2]" 1
64 1 10 CYS HB2 1 56 CYS QB 3.050 . 4.310 2.593 1.955 3.331 . 0 0 "[ . 1 . 2]" 1
65 1 10 CYS HB2 1 56 CYS HB3 3.180 . 4.560 2.714 1.985 4.211 . 0 0 "[ . 1 . 2]" 1
66 1 10 CYS HB3 1 11 GLU H 3.720 . 5.640 4.164 3.928 4.327 . 0 0 "[ . 1 . 2]" 1
67 1 10 CYS HB3 1 12 VAL H 3.810 . 5.820 3.502 3.194 3.799 . 0 0 "[ . 1 . 2]" 1
68 1 10 CYS HB3 1 12 VAL HB 3.050 . 4.310 4.351 4.159 4.440 0.130 7 0 "[ . 1 . 2]" 1
69 1 10 CYS HB3 1 13 CYS H 2.870 . 3.950 2.991 2.815 3.203 . 0 0 "[ . 1 . 2]" 1
70 1 10 CYS HB3 1 14 GLY H 2.800 . 3.800 2.363 1.795 3.019 0.005 18 0 "[ . 1 . 2]" 1
71 1 10 CYS HB3 1 15 LYS H 2.640 . 3.480 2.471 1.780 3.057 0.020 8 0 "[ . 1 . 2]" 1
72 1 10 CYS HB3 1 15 LYS QG 4.120 . 6.450 4.432 3.066 5.261 . 0 0 "[ . 1 . 2]" 1
73 1 10 CYS HB3 1 38 LEU MD2 3.700 . 5.610 4.648 3.889 5.103 . 0 0 "[ . 1 . 2]" 1
74 1 10 CYS HB3 1 56 CYS H 3.270 . 4.740 4.031 3.660 4.528 . 0 0 "[ . 1 . 2]" 1
75 1 11 GLU H 1 11 GLU HB2 2.490 . 3.190 2.505 2.379 2.609 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLU H 1 11 GLU HB3 2.760 . 3.730 3.606 3.555 3.639 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLU H 1 11 GLU HG2 2.960 . 4.130 3.301 1.897 3.598 . 0 0 "[ . 1 . 2]" 1
78 1 11 GLU H 1 11 GLU HG3 2.400 . 3.010 2.314 2.113 3.139 0.129 7 0 "[ . 1 . 2]" 1
79 1 11 GLU H 1 12 VAL H 2.640 . 3.480 2.604 2.417 2.998 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLU H 1 12 VAL MG2 3.920 . 6.050 3.583 3.305 3.884 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLU H 1 13 CYS H 3.390 . 4.990 4.834 4.580 5.002 0.012 2 0 "[ . 1 . 2]" 1
82 1 11 GLU H 1 38 LEU MD1 4.190 . 6.590 4.902 4.024 5.578 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLU H 1 38 LEU MD2 3.610 . 5.430 3.900 3.232 4.438 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLU H 1 54 ARG HB2 2.850 . 3.910 3.357 2.870 3.768 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLU H 1 54 ARG HB3 3.140 . 4.490 4.273 3.696 4.538 0.048 8 0 "[ . 1 . 2]" 1
86 1 11 GLU H 1 54 ARG QG 4.340 . 6.880 5.227 4.601 5.630 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLU H 1 55 VAL HA 2.870 . 3.950 3.481 3.237 3.791 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLU H 1 55 VAL MG2 3.990 . 6.190 4.129 3.660 4.655 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLU H 1 56 CYS H 3.380 . 4.960 4.980 4.730 5.141 0.181 11 0 "[ . 1 . 2]" 1
90 1 11 GLU HA 1 11 GLU HG2 2.530 . 3.260 2.527 2.447 2.829 . 0 0 "[ . 1 . 2]" 1
91 1 11 GLU HA 1 11 GLU HG3 2.850 . 3.910 3.189 3.022 3.829 . 0 0 "[ . 1 . 2]" 1
92 1 11 GLU HA 1 53 MET ME 4.410 . 7.020 5.003 3.916 5.952 . 0 0 "[ . 1 . 2]" 1
93 1 11 GLU HB2 1 12 VAL H 3.270 . 4.740 3.460 3.038 4.056 . 0 0 "[ . 1 . 2]" 1
94 1 11 GLU HB2 1 12 VAL MG1 4.350 . 6.910 5.654 5.275 5.926 . 0 0 "[ . 1 . 2]" 1
95 1 11 GLU HB2 1 53 MET HB2 3.450 . 5.100 3.984 3.305 4.511 . 0 0 "[ . 1 . 2]" 1
96 1 11 GLU HB2 1 54 ARG H 2.850 . 3.910 3.120 2.811 3.497 . 0 0 "[ . 1 . 2]" 1
97 1 11 GLU HB3 1 11 GLU HG2 2.240 . 2.690 2.496 2.435 2.930 0.240 7 0 "[ . 1 . 2]" 1
98 1 11 GLU HB3 1 12 VAL H 3.250 . 4.700 4.237 4.053 4.460 . 0 0 "[ . 1 . 2]" 1
99 1 11 GLU HB3 1 12 VAL MG2 4.410 . 7.020 4.346 3.915 4.706 . 0 0 "[ . 1 . 2]" 1
100 1 11 GLU HB3 1 38 LEU MD2 4.410 . 7.020 6.617 6.157 7.053 0.033 20 0 "[ . 1 . 2]" 1
101 1 11 GLU HB3 1 53 MET ME 3.420 . 5.040 3.584 2.141 4.732 . 0 0 "[ . 1 . 2]" 1
102 1 11 GLU HB3 1 54 ARG H 3.120 . 4.450 4.306 4.041 4.501 0.051 20 0 "[ . 1 . 2]" 1
103 1 11 GLU HB3 1 54 ARG HB2 3.900 . 6.000 4.877 4.574 5.130 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLU HG2 1 53 MET ME 4.060 . 6.330 5.418 4.098 6.378 0.048 1 0 "[ . 1 . 2]" 1
105 1 11 GLU HG2 1 54 ARG H 3.020 . 4.240 4.172 3.063 4.314 0.074 16 0 "[ . 1 . 2]" 1
106 1 11 GLU HG2 1 54 ARG HB2 3.320 . 4.850 3.533 1.947 3.975 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU HG2 1 54 ARG HB3 3.740 . 5.680 5.137 3.622 5.600 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU HG3 1 54 ARG H 2.710 . 3.620 2.839 1.778 3.041 0.022 7 0 "[ . 1 . 2]" 1
109 1 11 GLU HG3 1 54 ARG HB2 2.760 . 3.730 2.103 1.765 2.452 0.025 4 0 "[ . 1 . 2]" 1
110 1 11 GLU HG3 1 54 ARG HB3 3.020 . 4.240 3.693 3.287 4.116 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU HG3 1 54 ARG HG2 3.560 . 5.320 4.925 3.524 5.326 0.006 3 0 "[ . 1 . 2]" 1
112 1 11 GLU HG3 1 54 ARG QG 3.340 . 4.890 3.904 3.043 4.357 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLU HG3 1 54 ARG HG3 3.560 . 5.320 4.108 3.091 4.624 . 0 0 "[ . 1 . 2]" 1
114 1 12 VAL H 1 12 VAL HB 2.550 . 3.300 2.564 2.463 2.710 . 0 0 "[ . 1 . 2]" 1
115 1 12 VAL H 1 12 VAL MG1 3.310 . 4.820 3.813 3.774 3.875 . 0 0 "[ . 1 . 2]" 1
116 1 12 VAL H 1 12 VAL MG2 2.930 . 4.070 2.382 2.142 2.813 . 0 0 "[ . 1 . 2]" 1
117 1 12 VAL H 1 13 CYS H 2.400 . 3.010 2.547 2.303 2.809 . 0 0 "[ . 1 . 2]" 1
118 1 12 VAL H 1 14 GLY H 3.020 . 4.240 3.381 2.882 3.916 . 0 0 "[ . 1 . 2]" 1
119 1 12 VAL H 1 15 LYS H 3.770 . 5.750 5.301 4.685 5.762 0.012 18 0 "[ . 1 . 2]" 1
120 1 12 VAL H 1 53 MET ME 4.370 . 6.950 4.299 3.622 5.199 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL H 1 55 VAL HA 3.340 . 4.880 4.065 3.702 4.462 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL HA 1 53 MET ME 4.120 . 6.440 3.414 2.763 4.435 . 0 0 "[ . 1 . 2]" 1
123 1 12 VAL HB 1 13 CYS H 2.440 . 3.080 2.130 1.949 2.422 . 0 0 "[ . 1 . 2]" 1
124 1 12 VAL HB 1 55 VAL MG1 3.980 . 6.160 3.503 2.876 4.449 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL MG1 1 13 CYS H 3.020 . 4.250 3.059 2.847 3.366 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL MG1 1 13 CYS HB2 4.410 . 7.020 3.828 2.921 4.735 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL MG1 1 13 CYS QB 4.130 . 6.460 3.540 2.853 4.015 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL MG1 1 13 CYS HB3 4.410 . 7.020 4.378 3.423 4.667 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL MG1 1 14 GLY H 4.050 . 6.300 4.815 4.684 4.991 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL MG1 1 53 MET ME 4.790 . 7.790 3.734 3.153 4.331 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL MG1 1 55 VAL HA 4.260 . 6.730 5.580 4.775 6.204 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL MG2 1 13 CYS H 3.160 . 4.530 3.625 3.523 3.711 . 0 0 "[ . 1 . 2]" 1
133 1 12 VAL MG2 1 53 MET ME 4.180 . 6.560 2.240 1.787 2.614 0.013 18 0 "[ . 1 . 2]" 1
134 1 12 VAL MG2 1 59 CYS HB2 4.230 . 6.660 4.852 3.704 5.812 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL MG2 1 64 LYS QD 4.850 . 7.900 5.868 4.672 7.915 0.015 4 0 "[ . 1 . 2]" 1
136 1 12 VAL MG2 1 64 LYS QE 4.450 . 7.110 6.319 5.063 7.227 0.117 13 0 "[ . 1 . 2]" 1
137 1 13 CYS H 1 13 CYS HB2 2.840 . 3.880 2.677 2.464 3.594 . 0 0 "[ . 1 . 2]" 1
138 1 13 CYS H 1 13 CYS QB 2.540 . 3.280 2.446 2.235 2.708 . 0 0 "[ . 1 . 2]" 1
139 1 13 CYS H 1 13 CYS HB3 2.840 . 3.880 3.180 2.427 3.769 . 0 0 "[ . 1 . 2]" 1
140 1 13 CYS H 1 14 GLY H 2.460 . 3.120 2.265 1.969 2.642 . 0 0 "[ . 1 . 2]" 1
141 1 13 CYS H 1 14 GLY QA 3.690 . 5.580 4.203 3.978 4.523 . 0 0 "[ . 1 . 2]" 1
142 1 13 CYS QB 1 15 LYS H 3.780 . 5.760 2.730 2.339 3.147 . 0 0 "[ . 1 . 2]" 1
143 1 13 CYS QB 1 15 LYS QG 4.780 . 7.760 2.723 1.800 3.882 0.000 8 0 "[ . 1 . 2]" 1
144 1 13 CYS HB2 1 14 GLY H 3.540 . 5.280 3.538 2.508 4.210 . 0 0 "[ . 1 . 2]" 1
145 1 13 CYS HB2 1 15 LYS QD 4.340 . 6.880 4.284 2.827 5.361 . 0 0 "[ . 1 . 2]" 1
146 1 13 CYS HB3 1 14 GLY H 3.540 . 5.280 3.599 2.370 4.355 . 0 0 "[ . 1 . 2]" 1
147 1 13 CYS HB3 1 15 LYS QD 4.340 . 6.880 4.145 2.953 6.022 . 0 0 "[ . 1 . 2]" 1
148 1 14 GLY H 1 15 LYS H 2.690 . 3.590 2.413 1.954 2.887 . 0 0 "[ . 1 . 2]" 1
149 1 14 GLY H 1 15 LYS QB 4.340 . 6.880 4.422 3.976 4.708 . 0 0 "[ . 1 . 2]" 1
150 1 14 GLY H 1 15 LYS QG 4.340 . 6.880 4.305 3.665 4.920 . 0 0 "[ . 1 . 2]" 1
151 1 15 LYS H 1 15 LYS HB2 2.870 . 3.950 2.437 2.256 2.575 . 0 0 "[ . 1 . 2]" 1
152 1 15 LYS H 1 15 LYS QB 2.650 . 3.510 2.400 2.232 2.529 . 0 0 "[ . 1 . 2]" 1
153 1 15 LYS H 1 15 LYS HB3 2.870 . 3.950 3.611 3.533 3.697 . 0 0 "[ . 1 . 2]" 1
154 1 15 LYS H 1 15 LYS QD 4.340 . 6.880 3.967 3.457 4.431 . 0 0 "[ . 1 . 2]" 1
155 1 15 LYS H 1 15 LYS HG2 2.750 . 3.700 3.260 2.106 3.718 0.018 14 0 "[ . 1 . 2]" 1
156 1 15 LYS H 1 15 LYS HG3 2.750 . 3.700 2.868 2.287 3.740 0.040 20 0 "[ . 1 . 2]" 1
157 1 15 LYS H 1 16 ALA H 3.290 . 4.780 4.583 4.489 4.625 . 0 0 "[ . 1 . 2]" 1
158 1 15 LYS HA 1 15 LYS QD 4.340 . 6.880 3.523 2.033 4.241 . 0 0 "[ . 1 . 2]" 1
159 1 15 LYS HA 1 16 ALA H 2.480 . 3.160 2.371 2.213 2.604 . 0 0 "[ . 1 . 2]" 1
160 1 15 LYS HA 1 16 ALA MB 4.190 . 6.590 3.986 3.812 4.111 . 0 0 "[ . 1 . 2]" 1
161 1 15 LYS QB 1 16 ALA H 2.870 . 3.950 2.485 1.988 2.929 . 0 0 "[ . 1 . 2]" 1
162 1 15 LYS QB 1 59 CYS H 3.740 . 5.690 4.861 3.625 5.714 0.024 6 0 "[ . 1 . 2]" 1
163 1 15 LYS HB2 1 16 ALA H 3.070 . 4.340 3.712 3.256 4.124 . 0 0 "[ . 1 . 2]" 1
164 1 15 LYS HB3 1 16 ALA H 3.070 . 4.340 2.527 2.004 2.996 . 0 0 "[ . 1 . 2]" 1
165 1 15 LYS QG 1 16 ALA H 3.380 . 4.970 3.970 3.567 4.422 . 0 0 "[ . 1 . 2]" 1
166 1 15 LYS HG2 1 16 ALA H 3.450 . 5.100 4.235 3.704 4.927 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS HG3 1 16 ALA H 3.450 . 5.100 4.877 4.626 5.089 . 0 0 "[ . 1 . 2]" 1
168 1 16 ALA H 1 17 PRO QD 4.340 . 6.890 4.319 3.649 4.423 . 0 0 "[ . 1 . 2]" 1
169 1 16 ALA HA 1 17 PRO QD 2.780 . 3.760 1.987 1.848 2.110 . 0 0 "[ . 1 . 2]" 1
170 1 16 ALA HA 1 38 LEU MD2 4.410 . 7.020 4.489 3.477 5.241 . 0 0 "[ . 1 . 2]" 1
171 1 16 ALA MB 1 38 LEU MD1 4.920 . 8.040 5.834 4.576 6.908 . 0 0 "[ . 1 . 2]" 1
172 1 17 PRO QB 1 38 LEU HA 2.550 . 3.300 2.949 2.408 3.230 . 0 0 "[ . 1 . 2]" 1
173 1 17 PRO QB 1 38 LEU MD2 4.470 . 7.140 2.410 1.867 3.478 . 0 0 "[ . 1 . 2]" 1
174 1 17 PRO HB2 1 38 LEU HA 2.690 . 3.590 3.552 3.047 3.727 0.137 1 0 "[ . 1 . 2]" 1
175 1 17 PRO HB3 1 38 LEU HA 2.690 . 3.590 3.216 2.497 3.698 0.108 12 0 "[ . 1 . 2]" 1
176 1 17 PRO QD 1 38 LEU MD1 4.800 . 7.800 3.740 3.007 4.596 . 0 0 "[ . 1 . 2]" 1
177 1 17 PRO QD 1 38 LEU MD2 4.110 . 6.430 2.918 1.985 3.700 . 0 0 "[ . 1 . 2]" 1
178 1 17 PRO HG2 1 38 LEU MD2 3.630 . 5.470 3.759 2.415 4.690 . 0 0 "[ . 1 . 2]" 1
179 1 17 PRO HG3 1 38 LEU MD2 3.630 . 5.470 2.471 1.757 3.628 0.033 2 0 "[ . 1 . 2]" 1
180 1 32 ARG H 1 32 ARG QG 4.340 . 6.880 3.339 2.284 4.254 . 0 0 "[ . 1 . 2]" 1
181 1 32 ARG HA 1 32 ARG QD 4.340 . 6.880 3.580 1.929 4.261 . 0 0 "[ . 1 . 2]" 1
182 1 32 ARG HA 1 33 TRP H 2.670 . 3.550 2.543 2.138 3.572 0.022 13 0 "[ . 1 . 2]" 1
183 1 33 TRP H 1 33 TRP HB2 3.000 . 4.200 2.722 2.312 3.489 . 0 0 "[ . 1 . 2]" 1
184 1 33 TRP H 1 33 TRP HB3 3.000 . 4.200 3.302 2.590 4.105 . 0 0 "[ . 1 . 2]" 1
185 1 33 TRP H 1 33 TRP HD1 3.380 . 4.960 4.421 2.396 5.047 0.087 6 0 "[ . 1 . 2]" 1
186 1 33 TRP HA 1 33 TRP HD1 2.930 . 4.060 3.886 3.204 4.194 0.134 14 0 "[ . 1 . 2]" 1
187 1 33 TRP HA 1 33 TRP HE3 2.960 . 4.130 3.424 2.818 4.281 0.151 6 0 "[ . 1 . 2]" 1
188 1 33 TRP HB2 1 34 PHE H 3.810 . 5.820 3.945 2.103 4.654 . 0 0 "[ . 1 . 2]" 1
189 1 33 TRP HB3 1 34 PHE H 3.810 . 5.820 3.332 1.775 4.457 0.025 1 0 "[ . 1 . 2]" 1
190 1 34 PHE HA 1 35 ARG H 2.530 . 3.260 2.520 2.105 3.417 0.157 12 0 "[ . 1 . 2]" 1
191 1 35 ARG H 1 35 ARG HB2 2.870 . 3.950 3.135 2.336 3.985 0.035 11 0 "[ . 1 . 2]" 1
192 1 35 ARG H 1 35 ARG QG 3.920 . 6.050 2.966 2.317 4.095 . 0 0 "[ . 1 . 2]" 1
193 1 35 ARG HA 1 35 ARG QD 3.940 . 6.090 3.157 2.046 4.271 . 0 0 "[ . 1 . 2]" 1
194 1 35 ARG HA 1 36 PRO QD 2.700 . 3.610 2.054 1.780 2.359 0.010 17 0 "[ . 1 . 2]" 1
195 1 35 ARG HA 1 36 PRO QG 3.480 . 5.160 3.940 3.632 4.259 . 0 0 "[ . 1 . 2]" 1
196 1 35 ARG HB2 1 36 PRO QD 4.340 . 6.890 3.843 2.647 4.423 . 0 0 "[ . 1 . 2]" 1
197 1 35 ARG HB2 1 38 LEU HB3 3.110 . 4.420 4.049 2.727 4.641 0.221 15 0 "[ . 1 . 2]" 1
198 1 35 ARG HB3 1 36 PRO QD 3.510 . 5.230 3.274 1.896 4.308 . 0 0 "[ . 1 . 2]" 1
199 1 35 ARG QG 1 36 PRO QD 4.780 . 7.770 3.845 2.109 4.477 . 0 0 "[ . 1 . 2]" 1
200 1 37 ASN H 1 37 ASN QD 3.270 . 4.740 4.010 2.138 4.697 . 0 0 "[ . 1 . 2]" 1
201 1 37 ASN QB 1 57 THR H 4.340 . 6.880 5.791 4.778 7.000 0.120 8 0 "[ . 1 . 2]" 1
202 1 38 LEU H 1 38 LEU HB2 2.910 . 4.020 2.589 2.127 3.503 . 0 0 "[ . 1 . 2]" 1
203 1 38 LEU H 1 38 LEU MD1 4.410 . 7.020 4.006 3.486 4.591 . 0 0 "[ . 1 . 2]" 1
204 1 38 LEU H 1 38 LEU MD2 4.410 . 7.020 4.004 3.486 4.301 . 0 0 "[ . 1 . 2]" 1
205 1 38 LEU H 1 38 LEU HG 2.750 . 3.700 3.234 2.727 3.586 . 0 0 "[ . 1 . 2]" 1
206 1 38 LEU HA 1 38 LEU MD1 3.990 . 6.190 3.825 3.774 3.888 . 0 0 "[ . 1 . 2]" 1
207 1 38 LEU HA 1 38 LEU MD2 3.070 . 4.350 2.030 1.846 2.284 . 0 0 "[ . 1 . 2]" 1
208 1 38 LEU HA 1 38 LEU HG 2.980 . 4.160 2.753 2.638 2.883 . 0 0 "[ . 1 . 2]" 1
209 1 38 LEU HA 1 39 GLN H 2.400 . 3.010 2.150 2.075 2.351 . 0 0 "[ . 1 . 2]" 1
210 1 38 LEU HA 1 55 VAL H 3.270 . 4.740 4.718 4.409 4.827 0.087 8 0 "[ . 1 . 2]" 1
211 1 38 LEU HA 1 56 CYS HA 2.750 . 3.700 3.270 2.793 3.705 0.005 1 0 "[ . 1 . 2]" 1
212 1 38 LEU HA 1 57 THR H 3.360 . 4.920 4.731 4.122 4.962 0.042 6 0 "[ . 1 . 2]" 1
213 1 38 LEU HB2 1 38 LEU HG 2.400 . 3.010 2.526 2.457 2.619 . 0 0 "[ . 1 . 2]" 1
214 1 38 LEU HB2 1 39 GLN H 3.340 . 4.880 4.349 3.842 4.572 . 0 0 "[ . 1 . 2]" 1
215 1 38 LEU HB2 1 54 ARG QD 3.220 . 4.650 3.978 2.945 4.675 0.025 13 0 "[ . 1 . 2]" 1
216 1 38 LEU HB3 1 39 GLN H 2.910 . 4.020 3.413 2.634 3.831 . 0 0 "[ . 1 . 2]" 1
217 1 38 LEU HB3 1 54 ARG QD 4.070 . 6.340 3.612 1.763 4.585 0.037 17 0 "[ . 1 . 2]" 1
218 1 38 LEU HB3 1 54 ARG HG2 3.590 . 5.390 3.261 2.453 4.407 . 0 0 "[ . 1 . 2]" 1
219 1 38 LEU HB3 1 54 ARG QG 3.430 . 5.070 3.153 2.428 3.772 . 0 0 "[ . 1 . 2]" 1
220 1 38 LEU HB3 1 54 ARG HG3 3.590 . 5.390 4.561 3.481 5.212 . 0 0 "[ . 1 . 2]" 1
221 1 38 LEU MD1 1 39 GLN H 4.070 . 6.340 5.076 4.600 5.393 . 0 0 "[ . 1 . 2]" 1
222 1 38 LEU MD1 1 40 LYS HA 4.410 . 7.020 6.047 5.637 6.497 . 0 0 "[ . 1 . 2]" 1
223 1 38 LEU MD1 1 54 ARG HB2 4.120 . 6.440 3.180 2.853 3.630 . 0 0 "[ . 1 . 2]" 1
224 1 38 LEU MD1 1 54 ARG HB3 3.620 . 5.440 2.286 1.703 2.951 0.097 6 0 "[ . 1 . 2]" 1
225 1 38 LEU MD1 1 54 ARG QD 4.850 . 7.900 2.302 1.736 3.041 0.064 2 0 "[ . 1 . 2]" 1
226 1 38 LEU MD1 1 56 CYS HA 4.410 . 7.020 5.576 4.930 6.104 . 0 0 "[ . 1 . 2]" 1
227 1 38 LEU MD1 1 56 CYS QB 4.850 . 7.900 5.179 4.407 6.268 . 0 0 "[ . 1 . 2]" 1
228 1 38 LEU MD2 1 39 GLN H 3.780 . 5.760 3.230 2.832 3.578 . 0 0 "[ . 1 . 2]" 1
229 1 38 LEU MD2 1 54 ARG QG 4.630 . 7.470 3.891 3.384 4.577 . 0 0 "[ . 1 . 2]" 1
230 1 38 LEU MD2 1 55 VAL H 3.920 . 6.050 3.637 3.192 4.199 . 0 0 "[ . 1 . 2]" 1
231 1 38 LEU MD2 1 55 VAL HA 4.240 . 6.690 3.614 3.197 4.093 . 0 0 "[ . 1 . 2]" 1
232 1 38 LEU MD2 1 56 CYS H 3.970 . 6.150 3.682 3.042 4.364 . 0 0 "[ . 1 . 2]" 1
233 1 38 LEU MD2 1 56 CYS HA 3.310 . 4.820 2.854 2.160 3.470 . 0 0 "[ . 1 . 2]" 1
234 1 38 LEU MD2 1 56 CYS HB2 3.700 . 5.610 4.077 3.290 4.739 . 0 0 "[ . 1 . 2]" 1
235 1 38 LEU MD2 1 56 CYS QB 3.550 . 5.310 2.966 2.231 4.065 . 0 0 "[ . 1 . 2]" 1
236 1 38 LEU MD2 1 56 CYS HB3 3.700 . 5.610 3.114 2.268 4.497 . 0 0 "[ . 1 . 2]" 1
237 1 38 LEU MD2 1 57 THR H 4.170 . 6.550 4.702 4.006 5.359 . 0 0 "[ . 1 . 2]" 1
238 1 38 LEU HG 1 39 GLN H 3.270 . 4.740 4.783 4.538 4.870 0.130 18 0 "[ . 1 . 2]" 1
239 1 39 GLN H 1 39 GLN HB2 2.640 . 3.480 2.520 2.217 3.322 . 0 0 "[ . 1 . 2]" 1
240 1 39 GLN H 1 39 GLN HB3 2.940 . 4.090 3.616 3.478 3.743 . 0 0 "[ . 1 . 2]" 1
241 1 39 GLN H 1 39 GLN HE21 3.900 . 6.000 4.249 2.889 5.010 . 0 0 "[ . 1 . 2]" 1
242 1 39 GLN H 1 39 GLN QE 3.720 . 5.650 4.105 2.855 4.802 . 0 0 "[ . 1 . 2]" 1
243 1 39 GLN H 1 39 GLN HE22 3.900 . 6.000 5.517 3.453 6.162 0.162 19 0 "[ . 1 . 2]" 1
244 1 39 GLN H 1 39 GLN HG2 3.070 . 4.340 2.922 1.800 3.974 . 0 0 "[ . 1 . 2]" 1
245 1 39 GLN H 1 39 GLN QG 2.930 . 4.070 2.631 1.792 3.364 . 0 0 "[ . 1 . 2]" 1
246 1 39 GLN H 1 39 GLN HG3 3.070 . 4.340 3.542 2.167 4.272 . 0 0 "[ . 1 . 2]" 1
247 1 39 GLN H 1 40 LYS HA 3.590 . 5.390 5.023 4.643 5.311 . 0 0 "[ . 1 . 2]" 1
248 1 39 GLN H 1 41 VAL QG 4.750 . 7.710 4.668 4.405 5.045 . 0 0 "[ . 1 . 2]" 1
249 1 39 GLN H 1 55 VAL H 2.800 . 3.800 3.544 3.033 3.859 0.059 11 0 "[ . 1 . 2]" 1
250 1 39 GLN H 1 55 VAL MG1 4.410 . 7.020 4.992 4.683 5.463 . 0 0 "[ . 1 . 2]" 1
251 1 39 GLN H 1 56 CYS HA 3.200 . 4.600 3.317 2.950 4.213 . 0 0 "[ . 1 . 2]" 1
252 1 39 GLN H 1 60 LEU HG 3.570 . 5.350 5.315 4.861 5.439 0.089 18 0 "[ . 1 . 2]" 1
253 1 39 GLN HA 1 39 GLN HE21 3.900 . 6.000 2.468 1.646 3.985 0.154 14 0 "[ . 1 . 2]" 1
254 1 39 GLN HA 1 39 GLN HE22 3.900 . 6.000 3.782 3.065 5.426 . 0 0 "[ . 1 . 2]" 1
255 1 39 GLN HA 1 39 GLN HG2 2.980 . 4.160 2.853 2.261 4.075 . 0 0 "[ . 1 . 2]" 1
256 1 39 GLN HA 1 39 GLN HG3 2.980 . 4.160 3.638 3.139 3.963 . 0 0 "[ . 1 . 2]" 1
257 1 39 GLN HA 1 40 LYS H 2.370 . 2.940 2.162 2.094 2.221 . 0 0 "[ . 1 . 2]" 1
258 1 39 GLN HB2 1 40 LYS H 3.140 . 4.490 4.357 3.600 4.557 0.067 17 0 "[ . 1 . 2]" 1
259 1 39 GLN HB2 1 41 VAL H 3.660 . 5.530 5.365 5.028 5.619 0.089 8 0 "[ . 1 . 2]" 1
260 1 39 GLN HB2 1 41 VAL MG1 3.630 . 5.470 3.480 2.916 5.362 . 0 0 "[ . 1 . 2]" 1
261 1 39 GLN HB2 1 41 VAL QG 3.460 . 5.130 3.260 2.847 3.753 . 0 0 "[ . 1 . 2]" 1
262 1 39 GLN HB2 1 41 VAL MG2 3.630 . 5.470 4.384 3.188 5.129 . 0 0 "[ . 1 . 2]" 1
263 1 39 GLN HB2 1 60 LEU MD1 3.650 . 5.510 2.193 1.858 3.648 . 0 0 "[ . 1 . 2]" 1
264 1 39 GLN HB3 1 40 LYS H 2.870 . 3.950 3.726 3.177 3.995 0.045 6 0 "[ . 1 . 2]" 1
265 1 39 GLN HB3 1 41 VAL QG 4.570 . 7.350 2.804 2.068 4.547 . 0 0 "[ . 1 . 2]" 1
266 1 39 GLN HB3 1 60 LEU MD1 4.170 . 6.550 2.811 1.977 4.628 . 0 0 "[ . 1 . 2]" 1
267 1 39 GLN QE 1 40 LYS QG 4.170 . 6.540 4.974 3.941 5.952 . 0 0 "[ . 1 . 2]" 1
268 1 39 GLN QE 1 60 LEU MD1 4.530 . 7.270 3.721 2.124 4.685 . 0 0 "[ . 1 . 2]" 1
269 1 39 GLN QE 1 60 LEU MD2 4.150 . 6.510 5.098 2.314 6.041 . 0 0 "[ . 1 . 2]" 1
270 1 39 GLN HE21 1 40 LYS HG2 4.780 . 7.770 5.917 4.261 7.456 . 0 0 "[ . 1 . 2]" 1
271 1 39 GLN HE21 1 40 LYS HG3 4.780 . 7.770 6.081 5.101 7.203 . 0 0 "[ . 1 . 2]" 1
272 1 39 GLN HE21 1 60 LEU MD2 4.340 . 6.880 5.497 3.169 6.679 . 0 0 "[ . 1 . 2]" 1
273 1 39 GLN HE22 1 40 LYS HG2 4.780 . 7.770 6.960 5.289 7.873 0.103 19 0 "[ . 1 . 2]" 1
274 1 39 GLN HE22 1 40 LYS HG3 4.780 . 7.770 7.120 6.247 7.865 0.095 18 0 "[ . 1 . 2]" 1
275 1 39 GLN HE22 1 60 LEU MD2 4.340 . 6.880 6.130 2.379 6.982 0.102 2 0 "[ . 1 . 2]" 1
276 1 39 GLN QG 1 40 LYS H 4.100 . 6.410 4.570 3.992 4.890 . 0 0 "[ . 1 . 2]" 1
277 1 39 GLN QG 1 41 VAL QG 5.300 . 8.800 4.146 3.569 4.448 . 0 0 "[ . 1 . 2]" 1
278 1 39 GLN QG 1 60 LEU MD1 4.300 . 6.800 2.456 1.901 3.499 . 0 0 "[ . 1 . 2]" 1
279 1 39 GLN HG2 1 60 LEU MD1 4.410 . 7.020 3.514 2.501 4.537 . 0 0 "[ . 1 . 2]" 1
280 1 39 GLN HG3 1 60 LEU MD1 4.410 . 7.020 2.560 1.913 3.967 . 0 0 "[ . 1 . 2]" 1
281 1 40 LYS H 1 40 LYS HG2 3.520 . 5.240 2.597 1.753 4.388 0.047 12 0 "[ . 1 . 2]" 1
282 1 40 LYS H 1 40 LYS QG 3.210 . 4.630 2.278 1.709 3.964 0.081 12 0 "[ . 1 . 2]" 1
283 1 40 LYS H 1 40 LYS HG3 3.520 . 5.240 3.021 2.258 4.518 . 0 0 "[ . 1 . 2]" 1
284 1 40 LYS H 1 41 VAL H 3.470 . 5.140 4.364 4.266 4.480 . 0 0 "[ . 1 . 2]" 1
285 1 40 LYS HA 1 40 LYS HG2 2.940 . 4.090 3.437 2.346 3.786 . 0 0 "[ . 1 . 2]" 1
286 1 40 LYS HA 1 40 LYS QG 2.800 . 3.800 3.026 2.271 3.374 . 0 0 "[ . 1 . 2]" 1
287 1 40 LYS HA 1 40 LYS HG3 2.940 . 4.090 3.473 2.457 3.858 . 0 0 "[ . 1 . 2]" 1
288 1 40 LYS HA 1 41 VAL H 2.210 . 2.620 2.122 2.094 2.158 . 0 0 "[ . 1 . 2]" 1
289 1 40 LYS HA 1 41 VAL QG 4.280 . 6.770 3.352 3.265 3.414 . 0 0 "[ . 1 . 2]" 1
290 1 40 LYS HA 1 55 VAL H 2.370 . 2.940 2.940 2.510 3.080 0.140 5 0 "[ . 1 . 2]" 1
291 1 40 LYS QG 1 41 VAL H 3.380 . 4.960 4.217 3.034 4.585 . 0 0 "[ . 1 . 2]" 1
292 1 40 LYS HG2 1 41 VAL H 3.540 . 5.280 4.960 3.780 5.453 0.173 8 0 "[ . 1 . 2]" 1
293 1 40 LYS HG3 1 41 VAL H 3.540 . 5.280 4.642 3.150 5.311 0.031 15 0 "[ . 1 . 2]" 1
294 1 41 VAL H 1 41 VAL HB 2.820 . 3.840 3.747 2.742 3.841 0.001 12 0 "[ . 1 . 2]" 1
295 1 41 VAL H 1 41 VAL MG1 3.130 . 4.460 2.946 2.744 3.898 . 0 0 "[ . 1 . 2]" 1
296 1 41 VAL H 1 41 VAL QG 2.860 . 3.920 2.098 1.972 2.411 . 0 0 "[ . 1 . 2]" 1
297 1 41 VAL H 1 41 VAL MG2 3.130 . 4.460 2.149 2.022 2.434 . 0 0 "[ . 1 . 2]" 1
298 1 41 VAL H 1 54 ARG HA 2.930 . 4.060 3.760 3.291 4.093 0.033 10 0 "[ . 1 . 2]" 1
299 1 41 VAL H 1 55 VAL MG2 3.490 . 5.180 3.112 2.478 3.392 . 0 0 "[ . 1 . 2]" 1
300 1 41 VAL HA 1 42 ARG H 2.570 . 3.340 2.367 2.157 2.456 . 0 0 "[ . 1 . 2]" 1
301 1 41 VAL HB 1 42 ARG H 2.640 . 3.480 2.482 2.203 3.548 0.068 18 0 "[ . 1 . 2]" 1
302 1 41 VAL QG 1 53 MET ME 5.690 . 9.590 5.006 3.936 5.810 . 0 0 "[ . 1 . 2]" 1
303 1 41 VAL QG 1 55 VAL HB 3.920 . 6.050 2.560 2.087 3.036 . 0 0 "[ . 1 . 2]" 1
304 1 41 VAL QG 1 60 LEU HG 4.350 . 6.910 4.062 3.768 4.623 . 0 0 "[ . 1 . 2]" 1
305 1 41 VAL MG1 1 42 ARG H 3.270 . 4.750 3.552 1.989 3.773 . 0 0 "[ . 1 . 2]" 1
306 1 41 VAL MG2 1 42 ARG H 3.270 . 4.750 3.483 3.272 3.961 . 0 0 "[ . 1 . 2]" 1
307 1 42 ARG H 1 42 ARG HB2 2.870 . 3.950 2.882 2.297 3.679 . 0 0 "[ . 1 . 2]" 1
308 1 42 ARG H 1 42 ARG QB 2.680 . 3.560 2.513 2.190 2.948 . 0 0 "[ . 1 . 2]" 1
309 1 42 ARG H 1 42 ARG HB3 2.870 . 3.950 3.135 2.380 3.715 . 0 0 "[ . 1 . 2]" 1
310 1 42 ARG H 1 42 ARG QG 4.340 . 6.880 2.690 1.856 3.997 . 0 0 "[ . 1 . 2]" 1
311 1 42 ARG H 1 43 VAL H 3.120 . 4.450 4.395 4.262 4.510 0.060 2 0 "[ . 1 . 2]" 1
312 1 42 ARG HA 1 43 VAL H 2.390 . 2.980 2.143 2.104 2.186 . 0 0 "[ . 1 . 2]" 1
313 1 42 ARG HA 1 43 VAL MG1 3.850 . 5.900 3.792 3.568 3.950 . 0 0 "[ . 1 . 2]" 1
314 1 42 ARG HA 1 43 VAL MG2 3.650 . 5.510 3.733 3.597 3.890 . 0 0 "[ . 1 . 2]" 1
315 1 42 ARG HA 1 50 ILE MG 3.790 . 5.790 3.801 3.297 4.717 . 0 0 "[ . 1 . 2]" 1
316 1 42 ARG HA 1 52 ARG QG 2.950 . 4.110 2.988 2.308 4.189 0.079 9 0 "[ . 1 . 2]" 1
317 1 42 ARG HA 1 53 MET H 2.710 . 3.620 3.654 3.367 3.789 0.169 4 0 "[ . 1 . 2]" 1
318 1 42 ARG QB 1 43 VAL H 3.080 . 4.370 3.425 3.104 3.921 . 0 0 "[ . 1 . 2]" 1
319 1 42 ARG QB 1 50 ILE MG 3.770 . 5.740 2.736 1.752 4.689 0.048 5 0 "[ . 1 . 2]" 1
320 1 42 ARG QB 1 52 ARG QG 3.720 . 5.640 3.192 1.954 4.713 . 0 0 "[ . 1 . 2]" 1
321 1 42 ARG QB 1 68 TYR QD 4.430 . 7.060 4.101 3.113 5.466 . 0 0 "[ . 1 . 2]" 1
322 1 42 ARG QB 1 68 TYR QE 4.920 . 8.040 5.123 1.774 6.903 0.026 12 0 "[ . 1 . 2]" 1
323 1 42 ARG HB2 1 43 VAL H 3.380 . 4.960 4.028 3.325 4.556 . 0 0 "[ . 1 . 2]" 1
324 1 42 ARG HB2 1 68 TYR QB 4.230 . 6.660 4.259 2.716 6.442 . 0 0 "[ . 1 . 2]" 1
325 1 42 ARG HB3 1 43 VAL H 3.380 . 4.960 3.873 3.196 4.426 . 0 0 "[ . 1 . 2]" 1
326 1 42 ARG HB3 1 68 TYR QB 4.230 . 6.660 4.481 2.969 6.594 . 0 0 "[ . 1 . 2]" 1
327 1 42 ARG QD 1 50 ILE MG 4.700 . 7.610 3.007 2.197 4.072 . 0 0 "[ . 1 . 2]" 1
328 1 42 ARG QD 1 68 TYR QD 4.860 . 7.930 4.007 1.828 6.135 . 0 0 "[ . 1 . 2]" 1
329 1 42 ARG QD 1 68 TYR QE 5.410 . 9.020 4.483 2.319 7.602 . 0 0 "[ . 1 . 2]" 1
330 1 43 VAL H 1 43 VAL HB 2.850 . 3.910 3.775 3.733 3.818 . 0 0 "[ . 1 . 2]" 1
331 1 43 VAL H 1 43 VAL MG1 3.270 . 4.750 2.809 2.627 2.968 . 0 0 "[ . 1 . 2]" 1
332 1 43 VAL H 1 43 VAL MG2 2.980 . 4.170 2.099 2.022 2.175 . 0 0 "[ . 1 . 2]" 1
333 1 43 VAL H 1 44 VAL H 3.250 . 4.700 4.476 4.408 4.521 . 0 0 "[ . 1 . 2]" 1
334 1 43 VAL H 1 50 ILE MG 3.340 . 4.890 3.702 3.249 4.390 . 0 0 "[ . 1 . 2]" 1
335 1 43 VAL H 1 52 ARG HA 2.800 . 3.800 3.142 2.898 3.391 . 0 0 "[ . 1 . 2]" 1
336 1 43 VAL H 1 52 ARG QG 3.690 . 5.580 4.492 3.857 5.328 . 0 0 "[ . 1 . 2]" 1
337 1 43 VAL HA 1 44 VAL H 2.350 . 2.900 2.361 2.240 2.492 . 0 0 "[ . 1 . 2]" 1
338 1 43 VAL HA 1 44 VAL QG 4.790 . 7.780 3.652 3.199 4.149 . 0 0 "[ . 1 . 2]" 1
339 1 43 VAL HA 1 67 LYS HA 2.600 . 3.410 2.752 1.736 3.463 0.054 4 0 "[ . 1 . 2]" 1
340 1 43 VAL HA 1 68 TYR H 2.850 . 3.910 3.063 2.139 3.967 0.057 12 0 "[ . 1 . 2]" 1
341 1 43 VAL HA 1 68 TYR QB 4.340 . 6.880 3.251 1.968 5.138 . 0 0 "[ . 1 . 2]" 1
342 1 43 VAL HB 1 44 VAL H 2.480 . 3.160 2.491 2.186 2.872 . 0 0 "[ . 1 . 2]" 1
343 1 43 VAL HB 1 51 LYS H 3.570 . 5.350 5.234 5.008 5.384 0.034 18 0 "[ . 1 . 2]" 1
344 1 43 VAL HB 1 67 LYS HA 3.900 . 6.000 3.596 2.759 4.536 . 0 0 "[ . 1 . 2]" 1
345 1 43 VAL MG1 1 44 VAL H 3.040 . 4.280 3.687 3.552 3.848 . 0 0 "[ . 1 . 2]" 1
346 1 43 VAL MG1 1 53 MET H 4.410 . 7.020 3.765 3.036 4.136 . 0 0 "[ . 1 . 2]" 1
347 1 43 VAL MG1 1 53 MET ME 4.880 . 7.970 3.727 2.346 5.119 . 0 0 "[ . 1 . 2]" 1
348 1 43 VAL MG1 1 66 LYS H 3.560 . 5.330 3.949 2.938 5.092 . 0 0 "[ . 1 . 2]" 1
349 1 43 VAL MG1 1 67 LYS HA 3.180 . 4.570 2.521 1.767 3.626 0.023 3 0 "[ . 1 . 2]" 1
350 1 43 VAL MG1 1 67 LYS QB 4.290 . 6.780 3.828 3.138 4.457 . 0 0 "[ . 1 . 2]" 1
351 1 43 VAL MG1 1 68 TYR H 3.580 . 5.360 3.964 2.519 5.114 . 0 0 "[ . 1 . 2]" 1
352 1 43 VAL MG2 1 44 VAL H 3.180 . 4.570 3.477 3.239 3.763 . 0 0 "[ . 1 . 2]" 1
353 1 43 VAL MG2 1 51 LYS H 3.070 . 4.350 3.170 2.885 3.544 . 0 0 "[ . 1 . 2]" 1
354 1 43 VAL MG2 1 53 MET H 3.000 . 4.210 3.481 2.884 4.214 0.004 8 0 "[ . 1 . 2]" 1
355 1 43 VAL MG2 1 53 MET HB2 3.330 . 4.860 3.099 2.413 3.869 . 0 0 "[ . 1 . 2]" 1
356 1 43 VAL MG2 1 53 MET ME 4.570 . 7.350 2.650 1.752 3.967 0.038 12 0 "[ . 1 . 2]" 1
357 1 43 VAL MG2 1 53 MET HG2 3.670 . 5.540 4.192 3.472 5.152 . 0 0 "[ . 1 . 2]" 1
358 1 43 VAL MG2 1 53 MET QG 3.460 . 5.120 2.782 2.146 3.751 . 0 0 "[ . 1 . 2]" 1
359 1 43 VAL MG2 1 53 MET HG3 3.670 . 5.540 2.826 2.167 3.854 . 0 0 "[ . 1 . 2]" 1
360 1 43 VAL MG2 1 66 LYS H 4.010 . 6.230 4.885 4.057 5.577 . 0 0 "[ . 1 . 2]" 1
361 1 44 VAL H 1 44 VAL HB 2.550 . 3.300 2.801 2.489 3.121 . 0 0 "[ . 1 . 2]" 1
362 1 44 VAL H 1 44 VAL MG1 3.270 . 4.750 2.670 1.979 3.841 . 0 0 "[ . 1 . 2]" 1
363 1 44 VAL H 1 44 VAL QG 2.960 . 4.120 2.159 1.972 2.510 . 0 0 "[ . 1 . 2]" 1
364 1 44 VAL H 1 44 VAL MG2 3.270 . 4.750 3.341 2.294 3.893 . 0 0 "[ . 1 . 2]" 1
365 1 44 VAL H 1 67 LYS HA 2.800 . 3.800 3.662 2.915 4.005 0.205 20 0 "[ . 1 . 2]" 1
366 1 44 VAL H 1 67 LYS QB 4.340 . 6.880 5.099 4.650 5.579 . 0 0 "[ . 1 . 2]" 1
367 1 44 VAL H 1 68 TYR QB 4.340 . 6.880 3.577 2.241 4.964 . 0 0 "[ . 1 . 2]" 1
368 1 44 VAL HA 1 45 LEU H 2.310 . 2.830 2.141 2.095 2.197 . 0 0 "[ . 1 . 2]" 1
369 1 44 VAL HA 1 50 ILE MD 4.320 . 6.840 4.334 1.991 5.221 . 0 0 "[ . 1 . 2]" 1
370 1 44 VAL HA 1 50 ILE QG 4.050 . 6.300 3.419 2.889 4.562 . 0 0 "[ . 1 . 2]" 1
371 1 44 VAL HA 1 51 LYS H 3.020 . 4.240 3.578 3.293 4.040 . 0 0 "[ . 1 . 2]" 1
372 1 44 VAL HB 1 45 LEU H 3.610 . 5.420 4.179 4.055 4.343 . 0 0 "[ . 1 . 2]" 1
373 1 44 VAL HB 1 68 TYR HA 3.470 . 5.140 3.539 1.804 5.177 0.037 12 0 "[ . 1 . 2]" 1
374 1 44 VAL HB 1 68 TYR QD 4.010 . 6.220 3.363 1.774 5.195 0.026 3 0 "[ . 1 . 2]" 1
375 1 44 VAL QG 1 45 LEU H 3.350 . 4.910 2.610 2.364 2.993 . 0 0 "[ . 1 . 2]" 1
376 1 44 VAL QG 1 48 GLY H 4.070 . 6.340 3.797 3.200 4.305 . 0 0 "[ . 1 . 2]" 1
377 1 44 VAL QG 1 48 GLY QA 4.060 . 6.320 3.286 2.498 3.998 . 0 0 "[ . 1 . 2]" 1
378 1 44 VAL QG 1 50 ILE HA 4.020 . 6.250 3.584 3.018 3.899 . 0 0 "[ . 1 . 2]" 1
379 1 44 VAL QG 1 50 ILE QG 4.940 . 8.080 2.936 1.948 3.778 . 0 0 "[ . 1 . 2]" 1
380 1 44 VAL QG 1 68 TYR H 4.980 . 8.170 3.680 2.118 4.468 . 0 0 "[ . 1 . 2]" 1
381 1 44 VAL QG 1 68 TYR HA 4.080 . 6.370 2.597 1.782 3.708 0.008 3 0 "[ . 1 . 2]" 1
382 1 44 VAL QG 1 68 TYR QB 4.100 . 6.400 2.843 1.870 3.992 . 0 0 "[ . 1 . 2]" 1
383 1 44 VAL QG 1 68 TYR QD 4.810 . 7.830 2.744 1.783 4.731 0.007 15 0 "[ . 1 . 2]" 1
384 1 44 VAL QG 1 68 TYR QE 5.690 . 9.590 3.926 3.123 6.216 . 0 0 "[ . 1 . 2]" 1
385 1 44 VAL MG1 1 45 LEU H 3.520 . 5.250 3.525 2.547 4.111 . 0 0 "[ . 1 . 2]" 1
386 1 44 VAL MG1 1 48 GLY HA2 4.840 . 7.890 4.828 2.893 6.316 . 0 0 "[ . 1 . 2]" 1
387 1 44 VAL MG1 1 48 GLY HA3 4.840 . 7.890 6.268 4.287 7.740 . 0 0 "[ . 1 . 2]" 1
388 1 44 VAL MG1 1 49 THR H 4.410 . 7.020 5.229 2.841 6.516 . 0 0 "[ . 1 . 2]" 1
389 1 44 VAL MG1 1 50 ILE HA 4.350 . 6.910 4.840 3.542 5.535 . 0 0 "[ . 1 . 2]" 1
390 1 44 VAL MG1 1 50 ILE MD 4.920 . 8.040 4.836 2.701 5.822 . 0 0 "[ . 1 . 2]" 1
391 1 44 VAL MG1 1 68 TYR QB 4.240 . 6.680 3.773 2.363 4.803 . 0 0 "[ . 1 . 2]" 1
392 1 44 VAL MG1 1 68 TYR QD 5.400 . 9.000 3.684 2.225 5.421 . 0 0 "[ . 1 . 2]" 1
393 1 44 VAL MG2 1 45 LEU H 3.520 . 5.250 3.101 2.393 4.163 . 0 0 "[ . 1 . 2]" 1
394 1 44 VAL MG2 1 48 GLY HA2 4.840 . 7.890 4.149 2.544 6.195 . 0 0 "[ . 1 . 2]" 1
395 1 44 VAL MG2 1 48 GLY HA3 4.840 . 7.890 5.531 3.904 7.622 . 0 0 "[ . 1 . 2]" 1
396 1 44 VAL MG2 1 49 THR H 4.410 . 7.020 4.504 2.957 6.412 . 0 0 "[ . 1 . 2]" 1
397 1 44 VAL MG2 1 50 ILE HA 4.350 . 6.910 3.751 3.225 4.288 . 0 0 "[ . 1 . 2]" 1
398 1 44 VAL MG2 1 50 ILE MD 4.920 . 8.040 3.499 2.106 4.351 . 0 0 "[ . 1 . 2]" 1
399 1 44 VAL MG2 1 68 TYR QB 4.240 . 6.680 3.492 1.873 5.186 . 0 0 "[ . 1 . 2]" 1
400 1 44 VAL MG2 1 68 TYR QD 5.400 . 9.000 3.075 1.787 5.215 0.013 15 0 "[ . 1 . 2]" 1
401 1 45 LEU H 1 45 LEU HB2 2.690 . 3.590 2.403 2.346 2.492 . 0 0 "[ . 1 . 2]" 1
402 1 45 LEU H 1 45 LEU HB3 2.670 . 3.550 3.595 3.576 3.642 0.092 18 0 "[ . 1 . 2]" 1
403 1 45 LEU H 1 45 LEU MD1 3.470 . 5.150 3.786 3.679 3.859 . 0 0 "[ . 1 . 2]" 1
404 1 45 LEU H 1 45 LEU MD2 3.420 . 5.040 3.501 3.122 3.674 . 0 0 "[ . 1 . 2]" 1
405 1 45 LEU H 1 45 LEU HG 2.690 . 3.590 2.602 2.377 2.812 . 0 0 "[ . 1 . 2]" 1
406 1 45 LEU H 1 47 ASP H 3.480 . 5.170 4.882 4.645 5.154 . 0 0 "[ . 1 . 2]" 1
407 1 45 LEU H 1 49 THR H 3.070 . 4.340 3.312 2.852 3.830 . 0 0 "[ . 1 . 2]" 1
408 1 45 LEU H 1 49 THR HB 3.740 . 5.680 3.870 3.173 4.630 . 0 0 "[ . 1 . 2]" 1
409 1 45 LEU H 1 50 ILE H 3.360 . 4.920 4.796 4.634 4.929 0.009 10 0 "[ . 1 . 2]" 1
410 1 45 LEU H 1 50 ILE HA 3.090 . 4.380 3.272 2.978 3.586 . 0 0 "[ . 1 . 2]" 1
411 1 45 LEU HA 1 45 LEU MD1 3.810 . 5.830 3.840 3.782 3.863 . 0 0 "[ . 1 . 2]" 1
412 1 45 LEU HA 1 45 LEU MD2 3.110 . 4.430 1.970 1.901 2.013 . 0 0 "[ . 1 . 2]" 1
413 1 45 LEU HA 1 45 LEU HG 2.640 . 3.480 3.111 3.050 3.204 . 0 0 "[ . 1 . 2]" 1
414 1 45 LEU HA 1 49 THR H 3.610 . 5.420 4.879 4.495 5.278 . 0 0 "[ . 1 . 2]" 1
415 1 45 LEU HB2 1 46 PRO QD 3.690 . 5.590 3.702 3.454 3.914 . 0 0 "[ . 1 . 2]" 1
416 1 45 LEU HB2 1 47 ASP H 2.940 . 4.090 3.283 3.094 3.601 . 0 0 "[ . 1 . 2]" 1
417 1 45 LEU HB2 1 48 GLY H 3.030 . 4.270 3.335 3.030 3.682 . 0 0 "[ . 1 . 2]" 1
418 1 45 LEU HB2 1 49 THR H 2.780 . 3.770 2.435 2.197 2.671 . 0 0 "[ . 1 . 2]" 1
419 1 45 LEU HB2 1 49 THR HB 2.870 . 3.950 2.506 2.096 3.337 . 0 0 "[ . 1 . 2]" 1
420 1 45 LEU HB3 1 46 PRO HA 3.390 . 4.990 4.996 4.926 5.039 0.049 3 0 "[ . 1 . 2]" 1
421 1 45 LEU HB3 1 46 PRO QD 3.030 . 4.260 2.338 1.965 2.675 . 0 0 "[ . 1 . 2]" 1
422 1 45 LEU HB3 1 47 ASP H 2.660 . 3.520 2.610 2.298 3.059 . 0 0 "[ . 1 . 2]" 1
423 1 45 LEU HB3 1 49 THR H 2.980 . 4.160 3.812 3.638 4.166 0.006 3 0 "[ . 1 . 2]" 1
424 1 45 LEU HB3 1 49 THR HA 3.900 . 6.000 6.035 5.820 6.092 0.092 20 0 "[ . 1 . 2]" 1
425 1 45 LEU HB3 1 49 THR HB 3.180 . 4.560 3.829 3.458 4.599 0.039 5 0 "[ . 1 . 2]" 1
426 1 45 LEU MD1 1 46 PRO QD 4.670 . 7.550 3.858 3.555 4.086 . 0 0 "[ . 1 . 2]" 1
427 1 45 LEU MD1 1 47 ASP H 3.650 . 5.510 4.272 4.075 4.622 . 0 0 "[ . 1 . 2]" 1
428 1 45 LEU MD1 1 48 GLY H 3.760 . 5.720 4.940 4.328 5.297 . 0 0 "[ . 1 . 2]" 1
429 1 45 LEU MD1 1 49 THR H 3.720 . 5.650 3.891 3.636 4.269 . 0 0 "[ . 1 . 2]" 1
430 1 45 LEU MD1 1 49 THR HB 3.290 . 4.790 1.873 1.742 2.215 0.048 16 0 "[ . 1 . 2]" 1
431 1 45 LEU MD1 1 50 ILE HA 4.410 . 7.020 4.671 4.168 5.060 . 0 0 "[ . 1 . 2]" 1
432 1 45 LEU MD1 1 51 LYS H 4.410 . 7.020 4.315 3.530 4.847 . 0 0 "[ . 1 . 2]" 1
433 1 45 LEU MD1 1 51 LYS HB3 3.360 . 4.930 3.230 2.432 4.371 . 0 0 "[ . 1 . 2]" 1
434 1 45 LEU MD1 1 51 LYS QE 4.850 . 7.900 3.895 1.796 5.436 0.004 10 0 "[ . 1 . 2]" 1
435 1 45 LEU MD2 1 46 PRO QD 3.950 . 6.110 2.588 2.466 2.755 . 0 0 "[ . 1 . 2]" 1
436 1 45 LEU MD2 1 49 THR H 4.410 . 7.020 5.149 4.923 5.326 . 0 0 "[ . 1 . 2]" 1
437 1 45 LEU MD2 1 51 LYS HB2 3.470 . 5.150 3.783 2.480 5.187 0.037 18 0 "[ . 1 . 2]" 1
438 1 45 LEU MD2 1 53 MET ME 4.300 . 6.810 3.646 2.150 5.176 . 0 0 "[ . 1 . 2]" 1
439 1 45 LEU HG 1 46 PRO QD 3.510 . 5.230 4.355 4.233 4.462 . 0 0 "[ . 1 . 2]" 1
440 1 45 LEU HG 1 47 ASP H 3.900 . 6.000 5.386 5.141 5.784 . 0 0 "[ . 1 . 2]" 1
441 1 45 LEU HG 1 48 GLY H 3.900 . 6.000 5.645 5.347 6.016 0.016 10 0 "[ . 1 . 2]" 1
442 1 45 LEU HG 1 49 THR HB 3.590 . 5.390 3.304 2.640 4.038 . 0 0 "[ . 1 . 2]" 1
443 1 46 PRO QB 1 47 ASP H 3.060 . 4.320 3.172 2.822 3.567 . 0 0 "[ . 1 . 2]" 1
444 1 46 PRO QD 1 47 ASP H 3.350 . 4.910 2.807 2.608 3.083 . 0 0 "[ . 1 . 2]" 1
445 1 46 PRO QG 1 47 ASP H 3.550 . 5.300 3.362 2.533 4.043 . 0 0 "[ . 1 . 2]" 1
446 1 47 ASP H 1 47 ASP HB2 2.930 . 4.060 2.537 2.357 2.783 . 0 0 "[ . 1 . 2]" 1
447 1 47 ASP H 1 47 ASP QB 2.750 . 3.710 2.358 2.222 2.564 . 0 0 "[ . 1 . 2]" 1
448 1 47 ASP H 1 47 ASP HB3 2.930 . 4.060 3.073 2.350 3.636 . 0 0 "[ . 1 . 2]" 1
449 1 47 ASP H 1 48 GLY H 2.510 . 3.230 2.508 2.406 2.636 . 0 0 "[ . 1 . 2]" 1
450 1 47 ASP HB2 1 48 GLY H 3.830 . 5.860 3.677 2.943 4.321 . 0 0 "[ . 1 . 2]" 1
451 1 47 ASP HB3 1 48 GLY H 3.830 . 5.860 3.608 1.959 4.316 . 0 0 "[ . 1 . 2]" 1
452 1 48 GLY H 1 49 THR H 2.570 . 3.340 2.284 2.049 2.493 . 0 0 "[ . 1 . 2]" 1
453 1 48 GLY H 1 49 THR MG 4.410 . 7.020 5.487 4.845 5.754 . 0 0 "[ . 1 . 2]" 1
454 1 49 THR H 1 49 THR HB 2.600 . 3.410 2.924 2.726 3.365 . 0 0 "[ . 1 . 2]" 1
455 1 49 THR H 1 49 THR MG 3.040 . 4.280 3.819 3.272 4.038 . 0 0 "[ . 1 . 2]" 1
456 1 49 THR H 1 50 ILE H 3.120 . 4.450 4.482 4.324 4.579 0.129 17 0 "[ . 1 . 2]" 1
457 1 49 THR HA 1 50 ILE H 2.310 . 2.830 2.302 2.225 2.396 . 0 0 "[ . 1 . 2]" 1
458 1 49 THR HA 1 50 ILE QG 3.550 . 5.300 3.673 3.222 4.754 . 0 0 "[ . 1 . 2]" 1
459 1 49 THR HB 1 50 ILE H 2.580 . 3.370 3.428 2.872 3.537 0.167 9 0 "[ . 1 . 2]" 1
460 1 49 THR MG 1 50 ILE H 3.540 . 5.290 2.113 1.896 2.969 . 0 0 "[ . 1 . 2]" 1
461 1 49 THR MG 1 51 LYS HB2 4.410 . 7.020 3.926 2.889 5.203 . 0 0 "[ . 1 . 2]" 1
462 1 49 THR MG 1 51 LYS HB3 4.410 . 7.020 5.174 4.221 6.211 . 0 0 "[ . 1 . 2]" 1
463 1 50 ILE H 1 50 ILE HB 2.600 . 3.410 2.616 2.433 2.783 . 0 0 "[ . 1 . 2]" 1
464 1 50 ILE H 1 50 ILE MD 4.170 . 6.550 3.672 2.326 4.172 . 0 0 "[ . 1 . 2]" 1
465 1 50 ILE H 1 50 ILE HG12 3.160 . 4.520 3.757 2.588 4.385 . 0 0 "[ . 1 . 2]" 1
466 1 50 ILE H 1 50 ILE QG 2.920 . 4.040 2.804 2.486 3.610 . 0 0 "[ . 1 . 2]" 1
467 1 50 ILE H 1 50 ILE HG13 3.160 . 4.520 3.086 2.523 4.122 . 0 0 "[ . 1 . 2]" 1
468 1 50 ILE H 1 51 LYS H 3.900 . 6.000 4.318 4.123 4.444 . 0 0 "[ . 1 . 2]" 1
469 1 50 ILE HA 1 50 ILE HG12 2.930 . 4.060 2.799 2.474 3.628 . 0 0 "[ . 1 . 2]" 1
470 1 50 ILE HA 1 50 ILE QG 2.810 . 3.820 2.499 2.308 3.003 . 0 0 "[ . 1 . 2]" 1
471 1 50 ILE HA 1 50 ILE HG13 2.930 . 4.060 3.057 2.336 3.745 . 0 0 "[ . 1 . 2]" 1
472 1 50 ILE HA 1 51 LYS H 2.220 . 2.650 2.159 2.117 2.180 . 0 0 "[ . 1 . 2]" 1
473 1 50 ILE HB 1 50 ILE QG 2.230 . 2.670 2.353 2.185 2.454 . 0 0 "[ . 1 . 2]" 1
474 1 50 ILE HB 1 51 LYS H 3.050 . 4.310 4.244 4.072 4.321 0.011 6 0 "[ . 1 . 2]" 1
475 1 50 ILE MD 1 68 TYR QD 5.000 . 8.210 3.669 2.144 5.127 . 0 0 "[ . 1 . 2]" 1
476 1 50 ILE MD 1 68 TYR QE 4.770 . 7.750 3.407 2.135 5.251 . 0 0 "[ . 1 . 2]" 1
477 1 50 ILE QG 1 68 TYR QE 4.900 . 8.010 4.214 2.516 5.886 . 0 0 "[ . 1 . 2]" 1
478 1 50 ILE MG 1 51 LYS H 2.880 . 3.960 2.803 2.535 3.071 . 0 0 "[ . 1 . 2]" 1
479 1 50 ILE MG 1 52 ARG H 4.410 . 7.020 4.575 4.012 4.965 . 0 0 "[ . 1 . 2]" 1
480 1 50 ILE MG 1 52 ARG QD 4.850 . 7.900 5.520 4.860 6.307 . 0 0 "[ . 1 . 2]" 1
481 1 50 ILE MG 1 52 ARG HG2 3.650 . 5.510 4.487 3.584 5.427 . 0 0 "[ . 1 . 2]" 1
482 1 50 ILE MG 1 52 ARG QG 3.490 . 5.190 3.855 3.215 4.483 . 0 0 "[ . 1 . 2]" 1
483 1 50 ILE MG 1 52 ARG HG3 3.650 . 5.510 4.269 3.536 5.524 0.014 9 0 "[ . 1 . 2]" 1
484 1 50 ILE MG 1 68 TYR QB 4.610 . 7.430 3.668 2.190 4.893 . 0 0 "[ . 1 . 2]" 1
485 1 50 ILE MG 1 68 TYR QD 5.330 . 8.860 3.740 2.562 5.707 . 0 0 "[ . 1 . 2]" 1
486 1 51 LYS H 1 51 LYS HB2 2.660 . 3.520 3.073 2.569 3.267 . 0 0 "[ . 1 . 2]" 1
487 1 51 LYS H 1 51 LYS HB3 2.820 . 3.840 2.787 2.507 3.784 . 0 0 "[ . 1 . 2]" 1
488 1 51 LYS H 1 51 LYS QG 3.750 . 5.700 4.078 3.426 4.203 . 0 0 "[ . 1 . 2]" 1
489 1 51 LYS H 1 52 ARG H 3.700 . 5.600 4.376 4.235 4.533 . 0 0 "[ . 1 . 2]" 1
490 1 51 LYS HB2 1 51 LYS QE 4.340 . 6.880 3.708 1.962 4.203 . 0 0 "[ . 1 . 2]" 1
491 1 51 LYS HB2 1 52 ARG H 2.940 . 4.090 4.092 3.752 4.224 0.134 8 0 "[ . 1 . 2]" 1
492 1 51 LYS HB3 1 51 LYS QE 4.340 . 6.880 3.855 2.051 4.456 . 0 0 "[ . 1 . 2]" 1
493 1 51 LYS HB3 1 52 ARG H 3.000 . 4.200 3.879 2.402 4.269 0.069 15 0 "[ . 1 . 2]" 1
494 1 51 LYS QG 1 52 ARG H 4.090 . 6.380 2.534 2.109 3.516 . 0 0 "[ . 1 . 2]" 1
495 1 51 LYS QG 1 53 MET HG2 4.070 . 6.340 3.174 2.450 5.684 . 0 0 "[ . 1 . 2]" 1
496 1 51 LYS QG 1 53 MET HG3 4.070 . 6.340 2.758 1.787 4.711 0.013 15 0 "[ . 1 . 2]" 1
497 1 52 ARG H 1 52 ARG HD2 3.900 . 6.000 4.092 1.790 4.910 0.010 10 0 "[ . 1 . 2]" 1
498 1 52 ARG H 1 52 ARG HD3 3.900 . 6.000 4.863 3.301 5.209 . 0 0 "[ . 1 . 2]" 1
499 1 52 ARG H 1 52 ARG HG2 2.840 . 3.880 3.560 2.184 3.899 0.019 20 0 "[ . 1 . 2]" 1
500 1 52 ARG H 1 52 ARG HG3 2.840 . 3.880 2.477 1.835 2.789 . 0 0 "[ . 1 . 2]" 1
501 1 52 ARG HA 1 52 ARG HD2 3.590 . 5.390 4.551 3.789 5.108 . 0 0 "[ . 1 . 2]" 1
502 1 52 ARG HA 1 52 ARG QD 3.340 . 4.880 3.965 3.657 4.247 . 0 0 "[ . 1 . 2]" 1
503 1 52 ARG HA 1 52 ARG HD3 3.590 . 5.390 4.412 4.170 4.819 . 0 0 "[ . 1 . 2]" 1
504 1 52 ARG HA 1 52 ARG QG 2.880 . 3.960 2.605 2.358 3.322 . 0 0 "[ . 1 . 2]" 1
505 1 52 ARG HA 1 53 MET H 2.220 . 2.650 2.145 2.097 2.197 . 0 0 "[ . 1 . 2]" 1
506 1 52 ARG HD2 1 53 MET H 3.900 . 6.000 5.902 4.617 6.144 0.144 2 0 "[ . 1 . 2]" 1
507 1 52 ARG HD3 1 53 MET H 3.900 . 6.000 5.738 5.051 6.160 0.160 20 0 "[ . 1 . 2]" 1
508 1 52 ARG QG 1 53 MET H 3.370 . 4.940 4.297 3.819 4.878 . 0 0 "[ . 1 . 2]" 1
509 1 53 MET H 1 53 MET HB2 2.440 . 3.080 2.721 2.519 2.833 . 0 0 "[ . 1 . 2]" 1
510 1 53 MET H 1 53 MET ME 3.540 . 5.290 4.566 4.061 5.194 . 0 0 "[ . 1 . 2]" 1
511 1 53 MET H 1 53 MET HG2 3.140 . 4.490 4.069 3.773 4.293 . 0 0 "[ . 1 . 2]" 1
512 1 53 MET H 1 53 MET QG 3.010 . 4.220 3.082 2.663 3.297 . 0 0 "[ . 1 . 2]" 1
513 1 53 MET H 1 53 MET HG3 3.140 . 4.490 3.197 2.719 3.459 . 0 0 "[ . 1 . 2]" 1
514 1 53 MET HA 1 53 MET ME 3.870 . 5.940 4.200 3.778 4.453 . 0 0 "[ . 1 . 2]" 1
515 1 53 MET HA 1 53 MET HG2 3.020 . 4.240 2.474 2.307 2.623 . 0 0 "[ . 1 . 2]" 1
516 1 53 MET HA 1 53 MET QG 2.840 . 3.890 2.384 2.240 2.481 . 0 0 "[ . 1 . 2]" 1
517 1 53 MET HA 1 53 MET HG3 3.020 . 4.240 3.136 3.017 3.274 . 0 0 "[ . 1 . 2]" 1
518 1 53 MET HA 1 54 ARG H 2.240 . 2.690 2.309 2.191 2.487 . 0 0 "[ . 1 . 2]" 1
519 1 53 MET HB2 1 53 MET ME 3.130 . 4.460 2.488 2.018 3.171 . 0 0 "[ . 1 . 2]" 1
520 1 53 MET HB2 1 54 ARG H 2.820 . 3.840 3.751 3.483 3.904 0.064 14 0 "[ . 1 . 2]" 1
521 1 53 MET HB2 1 55 VAL MG2 3.110 . 4.430 3.029 2.510 3.521 . 0 0 "[ . 1 . 2]" 1
522 1 53 MET HB3 1 54 ARG H 2.710 . 3.620 2.557 2.174 2.904 . 0 0 "[ . 1 . 2]" 1
523 1 53 MET HB3 1 55 VAL MG2 3.330 . 4.860 3.529 2.918 4.092 . 0 0 "[ . 1 . 2]" 1
524 1 53 MET ME 1 54 ARG H 3.520 . 5.250 4.517 3.823 5.039 . 0 0 "[ . 1 . 2]" 1
525 1 53 MET ME 1 55 VAL MG2 4.140 . 6.490 3.581 2.466 4.372 . 0 0 "[ . 1 . 2]" 1
526 1 53 MET ME 1 65 VAL MG2 4.750 . 7.710 6.042 4.686 7.615 . 0 0 "[ . 1 . 2]" 1
527 1 53 MET QG 1 54 ARG H 3.630 . 5.470 3.824 3.495 4.074 . 0 0 "[ . 1 . 2]" 1
528 1 53 MET HG2 1 54 ARG H 3.900 . 6.000 3.996 3.602 4.302 . 0 0 "[ . 1 . 2]" 1
529 1 53 MET HG3 1 54 ARG H 3.900 . 6.000 4.884 4.709 5.061 . 0 0 "[ . 1 . 2]" 1
530 1 54 ARG H 1 54 ARG HB2 2.570 . 3.340 2.405 2.332 2.540 . 0 0 "[ . 1 . 2]" 1
531 1 54 ARG H 1 54 ARG HB3 2.820 . 3.840 3.597 3.562 3.658 . 0 0 "[ . 1 . 2]" 1
532 1 54 ARG H 1 54 ARG HG2 2.890 . 3.980 3.758 2.282 4.009 0.029 9 0 "[ . 1 . 2]" 1
533 1 54 ARG H 1 54 ARG QG 2.610 . 3.430 2.475 2.205 2.644 . 0 0 "[ . 1 . 2]" 1
534 1 54 ARG H 1 54 ARG HG3 2.890 . 3.980 2.574 2.226 3.622 . 0 0 "[ . 1 . 2]" 1
535 1 54 ARG H 1 55 VAL MG2 3.490 . 5.180 4.121 3.855 4.463 . 0 0 "[ . 1 . 2]" 1
536 1 54 ARG HA 1 54 ARG QG 2.820 . 3.840 2.472 2.386 2.913 . 0 0 "[ . 1 . 2]" 1
537 1 54 ARG HB2 1 55 VAL H 3.090 . 4.380 4.393 4.281 4.435 0.055 10 0 "[ . 1 . 2]" 1
538 1 54 ARG HB3 1 55 VAL H 2.870 . 3.950 3.667 3.447 3.848 . 0 0 "[ . 1 . 2]" 1
539 1 54 ARG QG 1 55 VAL H 4.270 . 6.740 4.259 4.068 4.715 . 0 0 "[ . 1 . 2]" 1
540 1 55 VAL H 1 55 VAL HB 2.890 . 3.980 2.672 2.564 2.761 . 0 0 "[ . 1 . 2]" 1
541 1 55 VAL H 1 55 VAL MG2 2.880 . 3.960 2.546 2.246 2.727 . 0 0 "[ . 1 . 2]" 1
542 1 55 VAL H 1 56 CYS H 3.900 . 6.000 4.466 4.320 4.562 . 0 0 "[ . 1 . 2]" 1
543 1 55 VAL HA 1 56 CYS H 2.330 . 2.870 2.248 2.155 2.332 . 0 0 "[ . 1 . 2]" 1
544 1 55 VAL HB 1 56 CYS H 2.960 . 4.130 3.880 3.674 4.089 . 0 0 "[ . 1 . 2]" 1
545 1 55 VAL HB 1 59 CYS HB2 3.480 . 5.170 4.626 4.386 4.886 . 0 0 "[ . 1 . 2]" 1
546 1 55 VAL HB 1 59 CYS HB3 3.660 . 5.530 5.549 5.385 5.614 0.084 5 0 "[ . 1 . 2]" 1
547 1 55 VAL HB 1 60 LEU MD2 3.330 . 4.860 2.577 2.100 3.240 . 0 0 "[ . 1 . 2]" 1
548 1 55 VAL MG1 1 56 CYS H 3.490 . 5.180 2.285 2.063 2.585 . 0 0 "[ . 1 . 2]" 1
549 1 55 VAL MG1 1 59 CYS H 3.600 . 5.400 3.631 3.522 3.747 . 0 0 "[ . 1 . 2]" 1
550 1 55 VAL MG1 1 59 CYS HA 4.410 . 7.020 4.370 4.166 4.562 . 0 0 "[ . 1 . 2]" 1
551 1 55 VAL MG1 1 59 CYS HB2 3.360 . 4.930 2.045 1.866 2.255 . 0 0 "[ . 1 . 2]" 1
552 1 55 VAL MG1 1 59 CYS HB3 3.440 . 5.080 2.717 2.600 2.823 . 0 0 "[ . 1 . 2]" 1
553 1 55 VAL MG1 1 60 LEU H 3.290 . 4.790 3.062 2.726 3.408 . 0 0 "[ . 1 . 2]" 1
554 1 55 VAL MG1 1 60 LEU HA 4.340 . 6.880 3.565 3.108 4.023 . 0 0 "[ . 1 . 2]" 1
555 1 55 VAL MG1 1 60 LEU HB2 4.410 . 7.020 4.335 3.960 4.802 . 0 0 "[ . 1 . 2]" 1
556 1 55 VAL MG1 1 60 LEU HB3 4.010 . 6.230 4.726 4.440 5.281 . 0 0 "[ . 1 . 2]" 1
557 1 55 VAL MG1 1 60 LEU MD2 4.300 . 6.810 2.384 2.160 2.708 . 0 0 "[ . 1 . 2]" 1
558 1 55 VAL MG1 1 60 LEU HG 3.440 . 5.080 2.457 2.108 3.243 . 0 0 "[ . 1 . 2]" 1
559 1 55 VAL MG1 1 65 VAL MG2 4.180 . 6.560 3.105 2.383 4.469 . 0 0 "[ . 1 . 2]" 1
560 1 55 VAL MG2 1 56 CYS H 3.920 . 6.050 3.990 3.909 4.062 . 0 0 "[ . 1 . 2]" 1
561 1 55 VAL MG2 1 60 LEU H 4.120 . 6.440 5.641 5.377 6.033 . 0 0 "[ . 1 . 2]" 1
562 1 56 CYS H 1 56 CYS QB 2.820 . 3.840 2.693 2.252 2.790 . 0 0 "[ . 1 . 2]" 1
563 1 56 CYS H 1 57 THR H 3.430 . 5.060 4.578 4.557 4.620 . 0 0 "[ . 1 . 2]" 1
564 1 56 CYS H 1 59 CYS H 3.140 . 4.490 3.960 3.828 4.192 . 0 0 "[ . 1 . 2]" 1
565 1 56 CYS H 1 59 CYS HB2 3.500 . 5.210 3.071 2.869 3.184 . 0 0 "[ . 1 . 2]" 1
566 1 56 CYS H 1 59 CYS HB3 3.180 . 4.560 4.573 4.377 4.646 0.086 11 0 "[ . 1 . 2]" 1
567 1 56 CYS HA 1 57 THR H 2.490 . 3.190 2.305 2.225 2.420 . 0 0 "[ . 1 . 2]" 1
568 1 56 CYS HA 1 57 THR HA 3.270 . 4.740 4.296 4.258 4.337 . 0 0 "[ . 1 . 2]" 1
569 1 56 CYS QB 1 57 THR H 2.710 . 3.630 2.672 2.374 3.499 . 0 0 "[ . 1 . 2]" 1
570 1 56 CYS QB 1 58 SER H 3.550 . 5.300 2.734 2.528 3.307 . 0 0 "[ . 1 . 2]" 1
571 1 56 CYS QB 1 59 CYS H 4.340 . 6.880 3.607 2.730 3.927 . 0 0 "[ . 1 . 2]" 1
572 1 56 CYS HB2 1 57 THR H 2.850 . 3.910 2.796 2.402 3.951 0.041 1 0 "[ . 1 . 2]" 1
573 1 56 CYS HB3 1 57 THR H 2.850 . 3.910 3.805 2.691 3.945 0.035 3 0 "[ . 1 . 2]" 1
574 1 57 THR H 1 57 THR HB 2.600 . 3.410 2.886 2.489 3.529 0.119 14 0 "[ . 1 . 2]" 1
575 1 57 THR H 1 57 THR MG 3.310 . 4.820 3.134 1.962 3.735 . 0 0 "[ . 1 . 2]" 1
576 1 57 THR H 1 58 SER H 3.000 . 4.200 2.727 2.663 2.779 . 0 0 "[ . 1 . 2]" 1
577 1 57 THR H 1 59 CYS H 3.610 . 5.420 4.497 4.359 4.656 . 0 0 "[ . 1 . 2]" 1
578 1 57 THR H 1 60 LEU MD2 4.410 . 7.020 5.651 5.458 6.291 . 0 0 "[ . 1 . 2]" 1
579 1 57 THR HA 1 59 CYS H 3.300 . 4.810 4.391 4.143 4.545 . 0 0 "[ . 1 . 2]" 1
580 1 57 THR HA 1 60 LEU H 2.850 . 3.910 3.127 2.940 3.316 . 0 0 "[ . 1 . 2]" 1
581 1 57 THR HA 1 60 LEU HB2 2.530 . 3.260 2.077 1.906 2.226 . 0 0 "[ . 1 . 2]" 1
582 1 57 THR HA 1 60 LEU HB3 2.660 . 3.520 3.579 3.480 3.653 0.133 12 0 "[ . 1 . 2]" 1
583 1 57 THR HA 1 60 LEU MD1 3.180 . 4.570 1.977 1.755 2.832 0.035 14 0 "[ . 1 . 2]" 1
584 1 57 THR HA 1 60 LEU MD2 4.410 . 7.020 4.132 3.869 4.620 . 0 0 "[ . 1 . 2]" 1
585 1 57 THR HA 1 60 LEU HG 3.900 . 6.000 2.779 2.224 3.370 . 0 0 "[ . 1 . 2]" 1
586 1 57 THR HA 1 61 LYS H 3.290 . 4.780 3.830 3.609 4.103 . 0 0 "[ . 1 . 2]" 1
587 1 57 THR MG 1 58 SER H 3.920 . 6.050 3.703 2.261 4.282 . 0 0 "[ . 1 . 2]" 1
588 1 57 THR MG 1 60 LEU H 4.410 . 7.020 4.604 4.248 5.005 . 0 0 "[ . 1 . 2]" 1
589 1 57 THR MG 1 61 LYS H 4.010 . 6.230 4.168 3.448 5.330 . 0 0 "[ . 1 . 2]" 1
590 1 57 THR MG 1 61 LYS QE 4.850 . 7.900 4.699 2.307 6.852 . 0 0 "[ . 1 . 2]" 1
591 1 58 SER H 1 59 CYS H 2.660 . 3.520 2.734 2.668 2.824 . 0 0 "[ . 1 . 2]" 1
592 1 58 SER H 1 60 LEU H 3.900 . 6.000 3.873 3.777 3.946 . 0 0 "[ . 1 . 2]" 1
593 1 58 SER HA 1 60 LEU H 3.680 . 5.570 4.377 4.272 4.510 . 0 0 "[ . 1 . 2]" 1
594 1 58 SER HA 1 61 LYS H 2.820 . 3.840 3.679 3.419 3.869 0.029 17 0 "[ . 1 . 2]" 1
595 1 58 SER HA 1 61 LYS QB 3.460 . 5.120 3.315 2.794 4.702 . 0 0 "[ . 1 . 2]" 1
596 1 59 CYS H 1 59 CYS HB2 2.390 . 2.980 2.381 2.248 2.542 . 0 0 "[ . 1 . 2]" 1
597 1 59 CYS H 1 59 CYS HB3 2.640 . 3.480 3.556 3.527 3.573 0.093 2 0 "[ . 1 . 2]" 1
598 1 59 CYS H 1 60 LEU H 2.530 . 3.260 2.511 2.389 2.605 . 0 0 "[ . 1 . 2]" 1
599 1 59 CYS H 1 65 VAL MG1 3.720 . 5.650 5.214 4.951 5.712 0.062 14 0 "[ . 1 . 2]" 1
600 1 59 CYS HA 1 62 SER H 3.110 . 4.420 3.515 3.064 3.956 . 0 0 "[ . 1 . 2]" 1
601 1 59 CYS HA 1 62 SER QB 3.490 . 5.190 2.901 2.077 4.492 . 0 0 "[ . 1 . 2]" 1
602 1 59 CYS HA 1 64 LYS H 3.110 . 4.420 3.861 3.038 4.600 0.180 16 0 "[ . 1 . 2]" 1
603 1 59 CYS HA 1 64 LYS QB 4.340 . 6.880 4.062 2.342 6.734 . 0 0 "[ . 1 . 2]" 1
604 1 59 CYS HA 1 64 LYS QD 3.910 . 6.020 4.893 2.979 6.055 0.035 7 0 "[ . 1 . 2]" 1
605 1 59 CYS HA 1 64 LYS QG 4.340 . 6.880 4.756 3.225 6.337 . 0 0 "[ . 1 . 2]" 1
606 1 59 CYS HA 1 65 VAL MG1 4.410 . 7.020 4.156 3.565 4.714 . 0 0 "[ . 1 . 2]" 1
607 1 59 CYS HA 1 65 VAL MG2 4.410 . 7.020 5.182 3.848 6.271 . 0 0 "[ . 1 . 2]" 1
608 1 59 CYS HB2 1 60 LEU H 2.750 . 3.700 2.760 2.621 2.894 . 0 0 "[ . 1 . 2]" 1
609 1 59 CYS HB2 1 65 VAL MG1 3.490 . 5.180 3.429 3.205 3.830 . 0 0 "[ . 1 . 2]" 1
610 1 59 CYS HB2 1 65 VAL MG2 3.890 . 5.980 4.742 3.996 5.996 0.016 5 0 "[ . 1 . 2]" 1
611 1 59 CYS HB3 1 60 LEU H 2.930 . 4.060 3.697 3.569 3.813 . 0 0 "[ . 1 . 2]" 1
612 1 59 CYS HB3 1 63 GLY QA 3.760 . 5.730 5.348 3.309 5.803 0.073 4 0 "[ . 1 . 2]" 1
613 1 59 CYS HB3 1 65 VAL MG1 3.330 . 4.860 2.387 2.038 3.008 . 0 0 "[ . 1 . 2]" 1
614 1 59 CYS HB3 1 65 VAL MG2 3.740 . 5.690 3.922 2.766 5.134 . 0 0 "[ . 1 . 2]" 1
615 1 60 LEU H 1 60 LEU HB2 2.530 . 3.260 2.411 2.233 2.473 . 0 0 "[ . 1 . 2]" 1
616 1 60 LEU H 1 60 LEU HB3 2.710 . 3.620 3.572 3.522 3.592 . 0 0 "[ . 1 . 2]" 1
617 1 60 LEU H 1 60 LEU MD1 3.360 . 4.930 3.694 3.593 3.976 . 0 0 "[ . 1 . 2]" 1
618 1 60 LEU H 1 60 LEU MD2 3.290 . 4.790 3.334 3.155 3.468 . 0 0 "[ . 1 . 2]" 1
619 1 60 LEU H 1 60 LEU HG 2.800 . 3.800 2.405 2.312 2.820 . 0 0 "[ . 1 . 2]" 1
620 1 60 LEU H 1 61 LYS H 2.550 . 3.300 2.746 2.625 2.880 . 0 0 "[ . 1 . 2]" 1
621 1 60 LEU H 1 61 LYS QB 3.820 . 5.840 4.658 4.357 5.202 . 0 0 "[ . 1 . 2]" 1
622 1 60 LEU HA 1 60 LEU MD1 3.920 . 6.050 3.817 3.708 3.857 . 0 0 "[ . 1 . 2]" 1
623 1 60 LEU HA 1 60 LEU MD2 3.020 . 4.250 1.945 1.780 2.028 0.010 12 0 "[ . 1 . 2]" 1
624 1 60 LEU HA 1 60 LEU HG 3.000 . 4.200 3.082 2.987 3.200 . 0 0 "[ . 1 . 2]" 1
625 1 60 LEU HA 1 61 LYS H 2.660 . 3.520 3.546 3.514 3.566 0.046 8 0 "[ . 1 . 2]" 1
626 1 60 LEU HA 1 65 VAL MG1 4.120 . 6.440 4.153 2.679 5.604 . 0 0 "[ . 1 . 2]" 1
627 1 60 LEU HA 1 65 VAL MG2 3.760 . 5.720 3.442 2.317 4.398 . 0 0 "[ . 1 . 2]" 1
628 1 60 LEU HB2 1 60 LEU HG 2.280 . 2.760 2.442 2.355 2.486 . 0 0 "[ . 1 . 2]" 1
629 1 60 LEU HB2 1 61 LYS H 2.640 . 3.480 2.516 2.360 2.732 . 0 0 "[ . 1 . 2]" 1
630 1 60 LEU HB3 1 61 LYS H 2.980 . 4.160 3.433 3.231 3.713 . 0 0 "[ . 1 . 2]" 1
631 1 60 LEU MD1 1 61 LYS H 4.320 . 6.840 4.473 4.324 4.642 . 0 0 "[ . 1 . 2]" 1
632 1 60 LEU MD2 1 61 LYS H 4.160 . 6.520 4.611 4.524 4.702 . 0 0 "[ . 1 . 2]" 1
633 1 60 LEU HG 1 61 LYS H 3.900 . 6.000 4.416 4.284 4.647 . 0 0 "[ . 1 . 2]" 1
634 1 60 LEU HG 1 65 VAL MG2 4.120 . 6.440 4.975 4.178 5.844 . 0 0 "[ . 1 . 2]" 1
635 1 61 LYS H 1 61 LYS QD 3.490 . 5.190 4.092 3.510 4.667 . 0 0 "[ . 1 . 2]" 1
636 1 61 LYS H 1 61 LYS QE 4.340 . 6.880 4.991 4.112 6.078 . 0 0 "[ . 1 . 2]" 1
637 1 61 LYS H 1 61 LYS QG 3.130 . 4.470 3.103 2.139 4.053 . 0 0 "[ . 1 . 2]" 1
638 1 61 LYS H 1 62 SER H 2.640 . 3.480 2.601 2.422 2.911 . 0 0 "[ . 1 . 2]" 1
639 1 61 LYS HA 1 61 LYS QD 3.550 . 5.300 3.510 1.910 4.523 . 0 0 "[ . 1 . 2]" 1
640 1 61 LYS QD 1 62 SER H 4.340 . 6.880 4.586 2.817 5.272 . 0 0 "[ . 1 . 2]" 1
641 1 61 LYS QG 1 62 SER H 4.250 . 6.700 3.873 2.561 4.668 . 0 0 "[ . 1 . 2]" 1
642 1 62 SER H 1 63 GLY H 2.870 . 3.950 2.426 2.030 2.606 . 0 0 "[ . 1 . 2]" 1
643 1 63 GLY H 1 64 LYS H 2.940 . 4.090 2.761 2.410 4.112 0.022 6 0 "[ . 1 . 2]" 1
644 1 63 GLY QA 1 65 VAL H 3.890 . 5.980 3.254 2.819 4.436 . 0 0 "[ . 1 . 2]" 1
645 1 64 LYS H 1 64 LYS QD 3.830 . 5.870 3.916 2.124 5.002 . 0 0 "[ . 1 . 2]" 1
646 1 64 LYS H 1 64 LYS QG 3.670 . 5.550 3.316 1.757 4.152 0.033 11 0 "[ . 1 . 2]" 1
647 1 64 LYS H 1 65 VAL H 2.550 . 3.300 2.637 2.181 3.356 0.056 5 0 "[ . 1 . 2]" 1
648 1 64 LYS H 1 65 VAL MG1 4.010 . 6.230 3.530 2.858 4.699 . 0 0 "[ . 1 . 2]" 1
649 1 64 LYS H 1 65 VAL MG2 4.410 . 7.020 3.594 3.233 4.193 . 0 0 "[ . 1 . 2]" 1
650 1 64 LYS HA 1 64 LYS QD 3.080 . 4.360 3.320 1.804 4.030 . 0 0 "[ . 1 . 2]" 1
651 1 64 LYS HA 1 65 VAL MG1 4.060 . 6.330 4.639 4.231 4.964 . 0 0 "[ . 1 . 2]" 1
652 1 64 LYS QD 1 65 VAL H 3.650 . 5.510 4.347 3.220 5.629 0.119 5 0 "[ . 1 . 2]" 1
653 1 64 LYS QG 1 65 VAL H 4.340 . 6.880 4.395 3.690 4.914 . 0 0 "[ . 1 . 2]" 1
654 1 64 LYS QG 1 65 VAL MG1 4.540 . 7.290 4.426 3.371 5.156 . 0 0 "[ . 1 . 2]" 1
655 1 64 LYS QG 1 65 VAL MG2 4.850 . 7.900 5.367 4.664 5.940 . 0 0 "[ . 1 . 2]" 1
656 1 65 VAL H 1 65 VAL HB 2.800 . 3.800 3.718 3.606 3.857 0.057 7 0 "[ . 1 . 2]" 1
657 1 65 VAL H 1 65 VAL MG1 3.310 . 4.820 2.672 2.118 3.300 . 0 0 "[ . 1 . 2]" 1
658 1 65 VAL H 1 65 VAL MG2 2.910 . 4.030 2.044 1.929 2.307 . 0 0 "[ . 1 . 2]" 1
659 1 65 VAL H 1 66 LYS H 3.180 . 4.560 4.491 4.318 4.605 0.045 19 0 "[ . 1 . 2]" 1
660 1 65 VAL H 1 67 LYS QB 3.800 . 5.800 5.154 4.023 5.937 0.137 6 0 "[ . 1 . 2]" 1
661 1 65 VAL H 1 67 LYS QD 4.340 . 6.880 4.975 3.426 6.892 0.012 5 0 "[ . 1 . 2]" 1
662 1 65 VAL HA 1 66 LYS H 2.490 . 3.190 2.349 2.132 2.616 . 0 0 "[ . 1 . 2]" 1
663 1 65 VAL HB 1 66 LYS H 2.660 . 3.520 2.615 2.108 3.338 . 0 0 "[ . 1 . 2]" 1
664 1 65 VAL MG1 1 66 LYS H 3.970 . 6.150 3.712 3.493 3.874 . 0 0 "[ . 1 . 2]" 1
665 1 65 VAL MG2 1 66 LYS H 3.170 . 4.540 3.575 3.085 4.100 . 0 0 "[ . 1 . 2]" 1
666 1 66 LYS H 1 66 LYS HB2 2.750 . 3.700 2.570 2.190 3.743 0.043 5 0 "[ . 1 . 2]" 1
667 1 66 LYS H 1 66 LYS QB 2.650 . 3.500 2.415 2.168 2.989 . 0 0 "[ . 1 . 2]" 1
668 1 66 LYS H 1 66 LYS HB3 2.750 . 3.700 3.337 2.394 3.624 . 0 0 "[ . 1 . 2]" 1
669 1 66 LYS H 1 66 LYS HG2 3.680 . 5.570 3.479 2.023 4.673 . 0 0 "[ . 1 . 2]" 1
670 1 66 LYS H 1 66 LYS QG 3.380 . 4.960 2.790 1.782 4.085 0.018 20 0 "[ . 1 . 2]" 1
671 1 66 LYS H 1 66 LYS HG3 3.680 . 5.570 3.310 1.788 4.525 0.002 20 0 "[ . 1 . 2]" 1
672 1 66 LYS HA 1 67 LYS H 2.640 . 3.480 2.746 2.097 3.550 0.070 9 0 "[ . 1 . 2]" 1
673 1 66 LYS QB 1 66 LYS QE 4.180 . 6.560 3.349 1.945 3.863 . 0 0 "[ . 1 . 2]" 1
674 1 66 LYS QB 1 67 LYS H 3.120 . 4.440 3.299 2.227 4.021 . 0 0 "[ . 1 . 2]" 1
675 1 66 LYS HB2 1 66 LYS QE 4.340 . 6.880 3.767 1.970 4.496 . 0 0 "[ . 1 . 2]" 1
676 1 66 LYS HB2 1 67 LYS H 3.230 . 4.670 3.895 2.273 4.558 . 0 0 "[ . 1 . 2]" 1
677 1 66 LYS HB3 1 66 LYS QE 4.340 . 6.880 3.896 2.354 4.539 . 0 0 "[ . 1 . 2]" 1
678 1 66 LYS HB3 1 67 LYS H 3.230 . 4.670 3.746 2.478 4.608 . 0 0 "[ . 1 . 2]" 1
679 1 67 LYS H 1 67 LYS QG 4.340 . 6.880 3.001 1.786 4.225 0.014 19 0 "[ . 1 . 2]" 1
680 1 67 LYS HA 1 67 LYS QD 4.010 . 6.230 3.925 2.178 4.281 . 0 0 "[ . 1 . 2]" 1
681 1 67 LYS HA 1 68 TYR H 2.460 . 3.120 2.423 2.139 3.121 0.001 15 0 "[ . 1 . 2]" 1
682 1 67 LYS QB 1 69 VAL HA 3.190 . 4.580 3.962 3.235 4.662 0.082 20 0 "[ . 1 . 2]" 1
683 1 68 TYR H 1 68 TYR QE 4.960 . 8.130 5.803 3.729 6.366 . 0 0 "[ . 1 . 2]" 1
684 1 68 TYR H 1 69 VAL H 3.470 . 5.140 2.853 1.898 4.274 . 0 0 "[ . 1 . 2]" 1
685 1 68 TYR HA 1 69 VAL H 2.480 . 3.160 2.862 2.162 3.319 0.159 5 0 "[ . 1 . 2]" 1
686 1 68 TYR QB 1 69 VAL QG 5.330 . 8.870 4.149 2.844 4.721 . 0 0 "[ . 1 . 2]" 1
687 1 68 TYR QD 1 69 VAL H 4.400 . 7.010 4.353 3.258 4.870 . 0 0 "[ . 1 . 2]" 1
688 1 68 TYR QD 1 69 VAL QG 5.670 . 9.540 4.006 1.782 4.860 0.018 5 0 "[ . 1 . 2]" 1
689 1 68 TYR QE 1 70 GLY QA 5.030 . 8.260 5.587 2.930 7.489 . 0 0 "[ . 1 . 2]" 1
690 1 69 VAL H 1 69 VAL HB 2.910 . 4.020 3.504 2.554 4.002 . 0 0 "[ . 1 . 2]" 1
691 1 69 VAL H 1 70 GLY H 3.320 . 4.850 3.302 2.081 4.369 . 0 0 "[ . 1 . 2]" 1
692 1 69 VAL HB 1 70 GLY H 3.270 . 4.740 4.004 2.460 4.527 . 0 0 "[ . 1 . 2]" 1
693 1 69 VAL QG 1 70 GLY H 4.710 . 7.630 3.123 1.698 3.769 0.092 9 0 "[ . 1 . 2]" 1
694 1 71 GLN HB2 1 71 GLN HE22 4.780 . 7.760 4.166 3.318 5.344 . 0 0 "[ . 1 . 2]" 1
695 1 71 GLN HB3 1 71 GLN HE22 4.780 . 7.760 4.349 3.732 5.125 . 0 0 "[ . 1 . 2]" 1
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