NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409126 |
1z9i   |
6579 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z9i
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 877
_Distance_constraint_stats_list.Viol_count 1209
_Distance_constraint_stats_list.Viol_total 1010.291
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0111
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0334
_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 2 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 ARG 0.215 0.103 25 0 "[ . 1 . 2 .]"
1 4 HIS 0.373 0.103 25 0 "[ . 1 . 2 .]"
1 5 ILE 0.476 0.070 18 0 "[ . 1 . 2 .]"
1 6 VAL 0.579 0.070 18 0 "[ . 1 . 2 .]"
1 7 ARG 0.398 0.091 7 0 "[ . 1 . 2 .]"
1 8 LYS 0.712 0.063 9 0 "[ . 1 . 2 .]"
1 9 ARG 1.289 0.082 4 0 "[ . 1 . 2 .]"
1 10 THR 4.839 0.113 7 0 "[ . 1 . 2 .]"
1 11 LEU 0.389 0.075 2 0 "[ . 1 . 2 .]"
1 12 ARG 3.861 0.113 7 0 "[ . 1 . 2 .]"
1 13 ARG 0.607 0.078 23 0 "[ . 1 . 2 .]"
1 14 LEU 0.387 0.058 21 0 "[ . 1 . 2 .]"
1 15 LEU 1.069 0.060 2 0 "[ . 1 . 2 .]"
1 16 GLN 0.571 0.145 2 0 "[ . 1 . 2 .]"
1 17 GLU 0.114 0.019 25 0 "[ . 1 . 2 .]"
1 18 ARG 0.635 0.145 2 0 "[ . 1 . 2 .]"
1 19 GLU 0.255 0.030 2 0 "[ . 1 . 2 .]"
1 20 LEU 0.183 0.033 4 0 "[ . 1 . 2 .]"
1 21 VAL 0.541 0.085 14 0 "[ . 1 . 2 .]"
1 22 GLU 0.578 0.094 4 0 "[ . 1 . 2 .]"
1 23 PRO 0.403 0.064 12 0 "[ . 1 . 2 .]"
1 24 LEU 0.443 0.094 4 0 "[ . 1 . 2 .]"
1 25 THR 0.519 0.044 2 0 "[ . 1 . 2 .]"
1 26 PRO 0.302 0.040 6 0 "[ . 1 . 2 .]"
1 27 SER 0.152 0.033 24 0 "[ . 1 . 2 .]"
1 28 GLY 0.425 0.037 9 0 "[ . 1 . 2 .]"
1 29 GLU 0.050 0.022 9 0 "[ . 1 . 2 .]"
1 30 ALA 0.487 0.050 23 0 "[ . 1 . 2 .]"
1 31 PRO 0.022 0.014 21 0 "[ . 1 . 2 .]"
1 32 ASN 0.597 0.075 9 0 "[ . 1 . 2 .]"
1 33 GLN 3.079 0.120 22 0 "[ . 1 . 2 .]"
1 34 ALA 1.626 0.178 4 0 "[ . 1 . 2 .]"
1 35 LEU 1.974 0.134 9 0 "[ . 1 . 2 .]"
1 36 LEU 4.245 0.140 9 0 "[ . 1 . 2 .]"
1 37 ARG 6.141 0.142 22 0 "[ . 1 . 2 .]"
1 38 ILE 4.495 0.178 4 0 "[ . 1 . 2 .]"
1 39 LEU 0.751 0.036 6 0 "[ . 1 . 2 .]"
1 40 LYS 9.208 0.148 12 0 "[ . 1 . 2 .]"
1 41 GLU 10.849 0.195 6 0 "[ . 1 . 2 .]"
1 42 THR 4.113 0.195 6 0 "[ . 1 . 2 .]"
1 43 GLU 1.894 0.163 17 0 "[ . 1 . 2 .]"
1 44 PHE 2.044 0.170 17 0 "[ . 1 . 2 .]"
1 45 LYS 3.052 0.163 17 0 "[ . 1 . 2 .]"
1 46 LYS 0.088 0.043 24 0 "[ . 1 . 2 .]"
1 47 ILE 1.290 0.070 14 0 "[ . 1 . 2 .]"
1 48 LYS 0.073 0.022 24 0 "[ . 1 . 2 .]"
1 49 VAL 1.913 0.070 14 0 "[ . 1 . 2 .]"
1 50 LEU 0.369 0.049 13 0 "[ . 1 . 2 .]"
1 51 GLY 0.281 0.043 8 0 "[ . 1 . 2 .]"
1 52 SER 0.677 0.056 8 0 "[ . 1 . 2 .]"
1 53 GLY 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 2 ARG HA 1 2 ARG QG 3.560 . 5.420 2.364 2.046 3.398 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 ARG HA 1 3 ARG H 3.320 . 4.930 2.940 2.139 3.571 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 ARG H 1 3 ARG QB 3.600 . 5.340 2.555 2.044 2.974 . 0 0 "[ . 1 . 2 .]" 1
4 1 3 ARG H 1 3 ARG QD 3.850 . 6.000 4.331 2.783 5.239 . 0 0 "[ . 1 . 2 .]" 1
5 1 3 ARG H 1 5 ILE H 3.660 . 5.430 4.857 2.656 5.449 0.019 8 0 "[ . 1 . 2 .]" 1
6 1 3 ARG HA 1 3 ARG QD 3.850 . 6.000 3.501 2.397 4.176 . 0 0 "[ . 1 . 2 .]" 1
7 1 3 ARG HA 1 4 HIS H 3.120 . 4.630 2.758 2.139 3.569 . 0 0 "[ . 1 . 2 .]" 1
8 1 3 ARG HA 1 4 HIS HA 3.450 . 5.200 4.696 4.332 5.303 0.103 25 0 "[ . 1 . 2 .]" 1
9 1 3 ARG QB 1 4 HIS H 3.790 . 5.620 3.163 1.950 4.024 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 ARG QB 1 5 ILE H 3.730 . 5.540 3.802 2.341 5.167 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 ARG QB 1 5 ILE HB 3.850 . 6.000 4.897 3.348 5.997 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 ARG QB 1 5 ILE QG 3.850 . 6.000 4.012 2.305 6.003 0.003 17 0 "[ . 1 . 2 .]" 1
13 1 3 ARG QG 1 4 HIS H 4.200 2.700 5.700 4.135 2.757 4.769 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 ARG QG 1 5 ILE H 5.140 2.650 7.630 4.970 3.309 6.983 . 0 0 "[ . 1 . 2 .]" 1
15 1 4 HIS H 1 4 HIS QB 3.810 . 5.610 2.670 2.055 3.396 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 HIS H 1 4 HIS HD1 4.920 2.540 7.300 3.692 2.772 4.636 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 HIS H 1 5 ILE H 4.200 2.700 5.700 3.182 2.687 4.200 0.013 21 0 "[ . 1 . 2 .]" 1
18 1 4 HIS H 1 5 ILE HB 3.980 2.050 5.910 5.287 4.300 5.891 . 0 0 "[ . 1 . 2 .]" 1
19 1 4 HIS H 1 6 VAL H 5.590 2.880 8.300 5.690 2.963 7.572 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 HIS HA 1 4 HIS HD1 3.850 . 6.000 2.644 1.980 3.937 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 HIS HA 1 5 ILE H 1.700 . 4.530 2.716 2.195 3.553 . 0 0 "[ . 1 . 2 .]" 1
22 1 4 HIS HA 1 5 ILE HA 3.850 . 6.000 4.559 4.330 5.354 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 HIS HA 1 6 VAL H 2.410 2.410 6.000 4.725 3.292 6.046 0.046 16 0 "[ . 1 . 2 .]" 1
24 1 4 HIS QB 1 5 ILE H 1.890 . 5.290 3.658 2.042 4.023 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 HIS QB 1 5 ILE HA 3.850 . 6.000 4.353 3.827 5.267 . 0 0 "[ . 1 . 2 .]" 1
26 1 4 HIS QB 1 6 VAL H 2.410 2.410 6.000 5.189 3.243 6.021 0.021 18 0 "[ . 1 . 2 .]" 1
27 1 5 ILE H 1 5 ILE HB 2.830 . 3.950 3.025 2.515 3.929 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 ILE H 1 5 ILE QG 3.810 . 4.720 2.865 1.986 4.102 . 0 0 "[ . 1 . 2 .]" 1
29 1 5 ILE H 1 5 ILE MG 3.850 . 4.360 3.583 2.062 4.022 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 ILE H 1 6 VAL H 3.070 . 4.400 3.082 1.981 4.420 0.020 16 0 "[ . 1 . 2 .]" 1
31 1 5 ILE H 1 6 VAL HA 4.670 2.410 6.930 5.071 4.553 6.025 . 0 0 "[ . 1 . 2 .]" 1
32 1 5 ILE H 1 6 VAL HB 2.560 2.560 6.000 5.088 4.125 6.020 0.020 14 0 "[ . 1 . 2 .]" 1
33 1 5 ILE H 1 6 VAL QG 3.850 . 6.000 4.204 3.057 5.332 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 ILE HA 1 5 ILE HB 2.900 . 4.090 2.883 2.415 3.024 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 ILE HA 1 5 ILE MD 3.850 . 6.000 3.479 2.017 4.102 . 0 0 "[ . 1 . 2 .]" 1
36 1 5 ILE HA 1 5 ILE QG 3.470 . 5.240 2.640 2.342 3.295 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 ILE HA 1 5 ILE MG 3.120 . 4.540 2.429 2.153 3.202 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 ILE HA 1 6 VAL H 1.860 . 4.120 3.156 2.162 3.573 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 ILE HA 1 6 VAL HA 3.340 . 4.980 4.594 4.329 4.884 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 ILE HA 1 6 VAL HB 3.850 . 6.000 5.417 4.342 6.018 0.018 10 0 "[ . 1 . 2 .]" 1
41 1 5 ILE HA 1 7 ARG H 1.700 . 6.000 5.060 3.377 6.002 0.002 4 0 "[ . 1 . 2 .]" 1
42 1 5 ILE HB 1 6 VAL H 1.700 . 3.890 2.832 1.846 3.960 0.070 18 0 "[ . 1 . 2 .]" 1
43 1 5 ILE HB 1 6 VAL HA 3.850 . 6.000 4.598 3.982 6.013 0.013 18 0 "[ . 1 . 2 .]" 1
44 1 5 ILE HB 1 6 VAL HB 3.850 . 6.000 4.832 3.773 6.029 0.029 22 0 "[ . 1 . 2 .]" 1
45 1 5 ILE MD 1 6 VAL H 3.850 . 6.000 3.940 2.025 5.143 . 0 0 "[ . 1 . 2 .]" 1
46 1 5 ILE MD 1 6 VAL HA 3.850 . 6.000 5.485 3.729 6.012 0.012 7 0 "[ . 1 . 2 .]" 1
47 1 5 ILE QG 1 6 VAL H 1.900 . 5.290 3.780 2.000 4.473 . 0 0 "[ . 1 . 2 .]" 1
48 1 5 ILE MG 1 6 VAL H 3.580 . 5.460 3.349 1.944 4.060 . 0 0 "[ . 1 . 2 .]" 1
49 1 6 VAL H 1 6 VAL HB 3.000 . 4.290 2.883 2.455 3.685 . 0 0 "[ . 1 . 2 .]" 1
50 1 6 VAL H 1 7 ARG H 3.570 . 5.240 3.750 2.293 4.588 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 VAL HA 1 6 VAL HB 2.890 . 4.080 2.725 2.419 3.024 . 0 0 "[ . 1 . 2 .]" 1
52 1 6 VAL HA 1 7 ARG H 1.760 . 4.000 2.439 2.147 3.548 . 0 0 "[ . 1 . 2 .]" 1
53 1 6 VAL QG 1 7 ARG H 1.930 . 5.550 3.023 2.089 3.693 . 0 0 "[ . 1 . 2 .]" 1
54 1 7 ARG H 1 7 ARG QD 3.850 . 5.050 4.160 2.502 5.007 . 0 0 "[ . 1 . 2 .]" 1
55 1 7 ARG H 1 7 ARG QG 3.850 . 4.740 3.566 2.013 4.358 . 0 0 "[ . 1 . 2 .]" 1
56 1 7 ARG H 1 8 LYS H 3.720 2.020 5.420 3.029 1.990 4.654 0.030 1 0 "[ . 1 . 2 .]" 1
57 1 7 ARG H 1 8 LYS HA 3.850 . 6.000 4.893 4.504 5.799 . 0 0 "[ . 1 . 2 .]" 1
58 1 7 ARG H 1 9 ARG H 4.430 2.910 5.940 3.930 2.895 5.652 0.015 17 0 "[ . 1 . 2 .]" 1
59 1 7 ARG H 1 10 THR H 4.490 2.990 5.990 3.919 3.060 5.312 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 ARG H 1 10 THR HB 1.770 . 4.380 3.991 2.024 4.471 0.091 7 0 "[ . 1 . 2 .]" 1
61 1 7 ARG H 1 10 THR MG 2.250 2.250 6.000 4.491 3.156 5.566 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 ARG HA 1 7 ARG QD 3.850 . 6.000 3.268 1.977 4.486 . 0 0 "[ . 1 . 2 .]" 1
63 1 7 ARG HA 1 7 ARG QG 3.410 . 5.120 2.599 2.022 3.403 . 0 0 "[ . 1 . 2 .]" 1
64 1 7 ARG HA 1 8 LYS H 1.700 . 4.540 3.143 2.154 3.573 . 0 0 "[ . 1 . 2 .]" 1
65 1 7 ARG HA 1 8 LYS HA 3.810 . 5.920 4.624 4.303 4.854 . 0 0 "[ . 1 . 2 .]" 1
66 1 7 ARG HA 1 8 LYS QG 3.850 . 6.000 5.163 4.096 6.042 0.042 7 0 "[ . 1 . 2 .]" 1
67 1 7 ARG HA 1 9 ARG H 2.260 2.260 6.000 4.447 3.812 4.977 . 0 0 "[ . 1 . 2 .]" 1
68 1 7 ARG HA 1 10 THR H 1.970 . 5.670 3.880 2.966 4.938 . 0 0 "[ . 1 . 2 .]" 1
69 1 7 ARG QB 1 8 LYS H 1.760 . 5.080 2.706 1.919 3.840 . 0 0 "[ . 1 . 2 .]" 1
70 1 7 ARG QB 1 10 THR HB 3.420 . 5.140 4.418 1.955 5.153 0.013 8 0 "[ . 1 . 2 .]" 1
71 1 7 ARG QB 1 10 THR MG 3.500 . 5.300 4.339 2.147 5.319 0.019 18 0 "[ . 1 . 2 .]" 1
72 1 7 ARG QG 1 10 THR H 3.850 . 6.000 4.972 2.305 5.772 . 0 0 "[ . 1 . 2 .]" 1
73 1 8 LYS H 1 8 LYS QB 3.370 . 4.560 2.406 2.042 2.884 . 0 0 "[ . 1 . 2 .]" 1
74 1 8 LYS H 1 8 LYS QD 3.850 2.020 5.810 3.791 2.019 4.814 0.001 23 0 "[ . 1 . 2 .]" 1
75 1 8 LYS H 1 8 LYS QE 3.850 2.810 6.000 4.030 2.812 5.537 . 0 0 "[ . 1 . 2 .]" 1
76 1 8 LYS H 1 8 LYS QG 3.850 . 5.050 2.657 1.917 3.977 0.063 9 0 "[ . 1 . 2 .]" 1
77 1 8 LYS H 1 9 ARG H 3.650 . 5.320 2.790 2.498 2.947 . 0 0 "[ . 1 . 2 .]" 1
78 1 8 LYS H 1 9 ARG HA 3.850 . 6.000 5.346 5.081 5.466 . 0 0 "[ . 1 . 2 .]" 1
79 1 8 LYS H 1 9 ARG QB 3.850 . 6.000 4.905 4.440 5.333 . 0 0 "[ . 1 . 2 .]" 1
80 1 8 LYS H 1 10 THR H 4.790 2.880 6.700 3.987 3.264 4.505 . 0 0 "[ . 1 . 2 .]" 1
81 1 8 LYS HA 1 8 LYS QD 3.850 . 6.000 3.737 2.413 4.393 . 0 0 "[ . 1 . 2 .]" 1
82 1 8 LYS HA 1 8 LYS QE 3.850 . 6.000 4.028 1.977 5.328 . 0 0 "[ . 1 . 2 .]" 1
83 1 8 LYS HA 1 8 LYS QG 3.510 . 5.320 2.845 2.050 3.390 . 0 0 "[ . 1 . 2 .]" 1
84 1 8 LYS HA 1 9 ARG H 1.810 . 4.660 3.529 3.417 3.586 . 0 0 "[ . 1 . 2 .]" 1
85 1 8 LYS HA 1 9 ARG QB 3.670 . 5.630 5.415 5.117 5.558 . 0 0 "[ . 1 . 2 .]" 1
86 1 8 LYS HA 1 10 THR H 1.700 . 6.000 3.958 3.415 4.464 . 0 0 "[ . 1 . 2 .]" 1
87 1 8 LYS HA 1 11 LEU H 4.200 2.700 5.700 3.650 3.014 4.336 . 0 0 "[ . 1 . 2 .]" 1
88 1 8 LYS HA 1 11 LEU MD1 3.850 . 6.000 2.805 1.916 5.119 . 0 0 "[ . 1 . 2 .]" 1
89 1 8 LYS HA 1 12 ARG H 3.850 . 6.000 5.459 4.183 6.044 0.044 16 0 "[ . 1 . 2 .]" 1
90 1 8 LYS QB 1 9 ARG H 3.700 . 5.700 2.983 2.251 3.653 . 0 0 "[ . 1 . 2 .]" 1
91 1 8 LYS QB 1 10 THR H 3.850 . 6.000 4.571 4.169 4.968 . 0 0 "[ . 1 . 2 .]" 1
92 1 8 LYS QB 1 11 LEU MD1 3.850 . 6.000 3.990 2.911 4.963 . 0 0 "[ . 1 . 2 .]" 1
93 1 8 LYS QD 1 9 ARG H 3.850 . 6.000 4.250 2.287 5.221 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 LYS QD 1 11 LEU MD2 3.810 . 5.920 4.657 3.260 5.929 0.009 2 0 "[ . 1 . 2 .]" 1
95 1 8 LYS QE 1 9 ARG QD 3.850 . 6.000 5.109 2.196 6.007 0.007 7 0 "[ . 1 . 2 .]" 1
96 1 8 LYS QE 1 10 THR H 3.850 . 6.000 5.661 4.847 6.023 0.023 15 0 "[ . 1 . 2 .]" 1
97 1 8 LYS QG 1 9 ARG H 2.130 2.130 5.790 3.137 2.077 4.578 0.053 15 0 "[ . 1 . 2 .]" 1
98 1 8 LYS QG 1 9 ARG QD 3.850 . 6.000 4.968 3.014 5.854 . 0 0 "[ . 1 . 2 .]" 1
99 1 8 LYS QG 1 11 LEU MD2 3.850 . 6.000 4.123 1.885 5.837 . 0 0 "[ . 1 . 2 .]" 1
100 1 9 ARG H 1 9 ARG QB 3.310 . 4.910 2.489 2.059 2.808 . 0 0 "[ . 1 . 2 .]" 1
101 1 9 ARG H 1 9 ARG QG 3.560 . 5.410 2.620 1.959 3.964 . 0 0 "[ . 1 . 2 .]" 1
102 1 9 ARG H 1 10 THR H 3.360 . 4.940 2.562 2.263 2.836 . 0 0 "[ . 1 . 2 .]" 1
103 1 9 ARG H 1 10 THR HA 4.200 2.700 5.700 5.137 4.905 5.383 . 0 0 "[ . 1 . 2 .]" 1
104 1 9 ARG H 1 10 THR HB 5.460 2.810 8.100 4.606 4.120 5.128 . 0 0 "[ . 1 . 2 .]" 1
105 1 9 ARG H 1 10 THR MG 3.430 3.430 6.000 5.190 4.321 6.034 0.034 16 0 "[ . 1 . 2 .]" 1
106 1 9 ARG H 1 11 LEU H 5.020 2.590 7.450 4.323 3.872 4.661 . 0 0 "[ . 1 . 2 .]" 1
107 1 9 ARG H 1 11 LEU MD1 3.560 . 5.290 4.744 4.256 5.356 0.066 16 0 "[ . 1 . 2 .]" 1
108 1 9 ARG H 1 12 ARG H 5.370 3.140 7.590 5.478 4.935 6.021 . 0 0 "[ . 1 . 2 .]" 1
109 1 9 ARG HA 1 9 ARG QD 3.660 . 5.620 3.799 1.973 4.516 . 0 0 "[ . 1 . 2 .]" 1
110 1 9 ARG HA 1 9 ARG QG 3.360 . 5.020 2.925 2.026 3.417 . 0 0 "[ . 1 . 2 .]" 1
111 1 9 ARG HA 1 10 THR H 1.700 . 4.700 3.435 3.372 3.502 . 0 0 "[ . 1 . 2 .]" 1
112 1 9 ARG HA 1 10 THR MG 3.850 . 6.000 5.729 5.201 6.082 0.082 4 0 "[ . 1 . 2 .]" 1
113 1 9 ARG HA 1 12 ARG H 1.700 . 6.000 3.938 3.572 4.417 . 0 0 "[ . 1 . 2 .]" 1
114 1 9 ARG QB 1 10 THR H 1.700 . 5.800 3.375 2.725 3.740 . 0 0 "[ . 1 . 2 .]" 1
115 1 9 ARG QB 1 10 THR HB 3.850 . 6.000 4.989 3.839 5.737 . 0 0 "[ . 1 . 2 .]" 1
116 1 9 ARG QB 1 10 THR MG 3.850 . 6.000 5.365 4.477 5.922 . 0 0 "[ . 1 . 2 .]" 1
117 1 9 ARG QB 1 11 LEU MD1 3.850 . 6.000 5.515 4.800 6.075 0.075 2 0 "[ . 1 . 2 .]" 1
118 1 9 ARG QD 1 10 THR H 3.850 . 6.000 4.044 3.000 4.769 . 0 0 "[ . 1 . 2 .]" 1
119 1 9 ARG QD 1 10 THR MG 3.850 . 6.000 5.620 4.259 6.010 0.010 12 0 "[ . 1 . 2 .]" 1
120 1 9 ARG QG 1 10 THR H 3.750 . 5.790 3.269 1.966 4.833 . 0 0 "[ . 1 . 2 .]" 1
121 1 10 THR H 1 10 THR HA 2.890 . 4.080 2.862 2.771 2.904 . 0 0 "[ . 1 . 2 .]" 1
122 1 10 THR H 1 10 THR HB 2.650 . 3.590 2.348 2.118 2.534 . 0 0 "[ . 1 . 2 .]" 1
123 1 10 THR H 1 10 THR MG 3.100 . 4.500 3.201 2.438 3.778 . 0 0 "[ . 1 . 2 .]" 1
124 1 10 THR H 1 11 LEU H 3.380 . 4.930 2.502 2.311 2.775 . 0 0 "[ . 1 . 2 .]" 1
125 1 10 THR H 1 11 LEU HA 3.850 . 6.000 5.083 4.865 5.319 . 0 0 "[ . 1 . 2 .]" 1
126 1 10 THR H 1 11 LEU QB 3.850 . 6.000 4.516 4.121 4.998 . 0 0 "[ . 1 . 2 .]" 1
127 1 10 THR H 1 11 LEU MD1 3.480 . 5.170 4.016 3.245 4.846 . 0 0 "[ . 1 . 2 .]" 1
128 1 10 THR H 1 12 ARG H 3.960 2.080 5.840 3.973 3.529 4.295 . 0 0 "[ . 1 . 2 .]" 1
129 1 10 THR H 1 13 ARG H 4.060 2.590 5.530 5.376 5.155 5.560 0.030 9 0 "[ . 1 . 2 .]" 1
130 1 10 THR H 1 13 ARG QB 3.850 . 6.000 6.012 5.880 6.078 0.078 23 0 "[ . 1 . 2 .]" 1
131 1 10 THR H 1 14 LEU H 5.310 2.740 7.890 7.029 6.400 7.602 . 0 0 "[ . 1 . 2 .]" 1
132 1 10 THR HA 1 10 THR HB 2.920 . 4.130 2.840 2.614 3.015 . 0 0 "[ . 1 . 2 .]" 1
133 1 10 THR HA 1 10 THR MG 2.960 . 4.210 2.797 2.309 3.193 . 0 0 "[ . 1 . 2 .]" 1
134 1 10 THR HA 1 11 LEU H 3.030 . 4.360 3.516 3.435 3.571 . 0 0 "[ . 1 . 2 .]" 1
135 1 10 THR HA 1 12 ARG H 1.700 . 6.000 3.558 3.136 3.847 . 0 0 "[ . 1 . 2 .]" 1
136 1 10 THR HA 1 13 ARG H 3.810 . 5.910 3.540 3.062 3.947 . 0 0 "[ . 1 . 2 .]" 1
137 1 10 THR HA 1 13 ARG QB 3.850 . 6.000 3.657 3.465 4.041 . 0 0 "[ . 1 . 2 .]" 1
138 1 10 THR HB 1 11 LEU H 2.090 2.090 3.500 3.221 2.744 3.524 0.024 6 0 "[ . 1 . 2 .]" 1
139 1 10 THR HB 1 11 LEU HA 3.850 . 6.000 4.890 4.243 5.471 . 0 0 "[ . 1 . 2 .]" 1
140 1 10 THR HB 1 11 LEU QB 3.850 . 6.000 5.167 4.793 5.558 . 0 0 "[ . 1 . 2 .]" 1
141 1 10 THR HB 1 12 ARG H 3.680 . 5.460 5.028 4.735 5.285 . 0 0 "[ . 1 . 2 .]" 1
142 1 10 THR HB 1 12 ARG QB 3.850 . 6.000 6.040 5.974 6.081 0.081 25 0 "[ . 1 . 2 .]" 1
143 1 10 THR MG 1 11 LEU H 3.230 . 4.750 2.759 1.827 3.922 . 0 0 "[ . 1 . 2 .]" 1
144 1 10 THR MG 1 11 LEU QB 3.850 . 6.000 3.990 2.809 5.154 . 0 0 "[ . 1 . 2 .]" 1
145 1 10 THR MG 1 11 LEU MD2 3.850 . 6.000 4.735 3.431 6.012 0.012 16 0 "[ . 1 . 2 .]" 1
146 1 10 THR MG 1 12 ARG H 2.120 2.120 6.000 4.110 3.946 4.354 . 0 0 "[ . 1 . 2 .]" 1
147 1 10 THR MG 1 12 ARG HA 3.850 . 6.000 6.082 6.057 6.113 0.113 7 0 "[ . 1 . 2 .]" 1
148 1 10 THR MG 1 13 ARG H 1.960 . 5.640 3.923 3.219 4.761 . 0 0 "[ . 1 . 2 .]" 1
149 1 10 THR MG 1 14 LEU H 3.760 . 5.820 4.403 3.198 5.294 . 0 0 "[ . 1 . 2 .]" 1
150 1 10 THR MG 1 14 LEU MD1 3.850 . 6.000 3.911 2.454 6.006 0.006 23 0 "[ . 1 . 2 .]" 1
151 1 11 LEU H 1 11 LEU QB 3.480 . 5.260 2.381 2.125 2.619 . 0 0 "[ . 1 . 2 .]" 1
152 1 11 LEU H 1 11 LEU HG 3.800 . 5.640 3.070 1.953 4.149 0.007 22 0 "[ . 1 . 2 .]" 1
153 1 11 LEU H 1 12 ARG H 3.630 2.090 5.170 2.743 2.641 2.840 . 0 0 "[ . 1 . 2 .]" 1
154 1 11 LEU HA 1 11 LEU MD2 3.580 . 5.460 3.897 3.640 4.108 . 0 0 "[ . 1 . 2 .]" 1
155 1 11 LEU HA 1 12 ARG H 1.700 . 4.820 3.419 3.322 3.476 . 0 0 "[ . 1 . 2 .]" 1
156 1 11 LEU HA 1 13 ARG H 4.200 2.700 5.700 3.738 3.448 4.290 . 0 0 "[ . 1 . 2 .]" 1
157 1 11 LEU HA 1 14 LEU H 4.200 2.700 5.700 3.399 3.014 3.866 . 0 0 "[ . 1 . 2 .]" 1
158 1 11 LEU HA 1 14 LEU MD1 3.500 . 5.290 3.447 2.001 4.985 . 0 0 "[ . 1 . 2 .]" 1
159 1 11 LEU HA 1 15 LEU H 4.200 2.700 5.700 4.448 3.659 5.212 . 0 0 "[ . 1 . 2 .]" 1
160 1 11 LEU QB 1 12 ARG H 1.760 . 5.080 3.306 2.826 3.843 . 0 0 "[ . 1 . 2 .]" 1
161 1 11 LEU QB 1 12 ARG HA 3.850 . 6.000 4.128 3.849 4.589 . 0 0 "[ . 1 . 2 .]" 1
162 1 11 LEU MD1 1 12 ARG H 3.570 . 5.300 3.424 1.947 4.374 . 0 0 "[ . 1 . 2 .]" 1
163 1 11 LEU MD1 1 12 ARG HA 3.850 . 6.000 4.470 2.536 5.987 . 0 0 "[ . 1 . 2 .]" 1
164 1 11 LEU MD1 1 12 ARG QG 3.850 . 6.000 4.636 2.348 6.012 0.012 21 0 "[ . 1 . 2 .]" 1
165 1 11 LEU MD1 1 13 ARG H 3.650 . 5.420 4.797 4.045 5.400 . 0 0 "[ . 1 . 2 .]" 1
166 1 11 LEU MD1 1 13 ARG QG 3.850 . 6.000 5.504 4.404 6.010 0.010 17 0 "[ . 1 . 2 .]" 1
167 1 12 ARG H 1 12 ARG QB 3.060 . 4.420 2.066 2.023 2.209 . 0 0 "[ . 1 . 2 .]" 1
168 1 12 ARG H 1 12 ARG QD 3.580 . 5.320 4.095 2.867 4.638 . 0 0 "[ . 1 . 2 .]" 1
169 1 12 ARG H 1 12 ARG QG 3.850 . 6.000 3.375 3.003 3.905 . 0 0 "[ . 1 . 2 .]" 1
170 1 12 ARG H 1 13 ARG H 3.580 . 5.300 2.545 2.314 2.690 . 0 0 "[ . 1 . 2 .]" 1
171 1 12 ARG H 1 13 ARG HA 1.700 . 6.000 5.121 4.828 5.289 . 0 0 "[ . 1 . 2 .]" 1
172 1 12 ARG H 1 13 ARG QB 3.850 . 6.000 4.481 4.173 4.771 . 0 0 "[ . 1 . 2 .]" 1
173 1 12 ARG H 1 13 ARG QG 3.850 . 6.000 4.407 4.021 4.994 . 0 0 "[ . 1 . 2 .]" 1
174 1 12 ARG H 1 14 LEU H 1.700 . 6.000 4.302 3.874 5.087 . 0 0 "[ . 1 . 2 .]" 1
175 1 12 ARG H 1 15 LEU H 4.200 2.700 5.700 5.051 4.680 5.381 . 0 0 "[ . 1 . 2 .]" 1
176 1 12 ARG HA 1 12 ARG QD 3.850 . 6.000 3.510 1.977 4.040 . 0 0 "[ . 1 . 2 .]" 1
177 1 12 ARG HA 1 12 ARG QG 3.250 . 4.790 2.195 2.020 2.565 . 0 0 "[ . 1 . 2 .]" 1
178 1 12 ARG HA 1 13 ARG H 1.810 . 5.220 3.438 3.358 3.525 . 0 0 "[ . 1 . 2 .]" 1
179 1 12 ARG HA 1 13 ARG HA 3.850 . 6.000 4.731 4.666 4.808 . 0 0 "[ . 1 . 2 .]" 1
180 1 12 ARG HA 1 13 ARG QB 3.850 . 6.000 5.324 5.174 5.517 . 0 0 "[ . 1 . 2 .]" 1
181 1 12 ARG HA 1 13 ARG QG 3.850 . 6.000 5.326 4.928 5.644 . 0 0 "[ . 1 . 2 .]" 1
182 1 12 ARG HA 1 14 LEU H 3.850 . 6.000 4.375 3.950 5.301 . 0 0 "[ . 1 . 2 .]" 1
183 1 12 ARG HA 1 15 LEU H 2.020 2.020 5.810 3.604 3.376 3.847 . 0 0 "[ . 1 . 2 .]" 1
184 1 12 ARG HA 1 15 LEU HA 3.690 . 5.670 5.676 5.417 5.730 0.060 2 0 "[ . 1 . 2 .]" 1
185 1 12 ARG HA 1 15 LEU HG 3.700 . 5.700 3.200 2.029 4.125 . 0 0 "[ . 1 . 2 .]" 1
186 1 12 ARG HA 1 16 GLN H 2.140 2.140 6.000 3.897 3.260 4.378 . 0 0 "[ . 1 . 2 .]" 1
187 1 12 ARG QB 1 13 ARG H 3.370 . 5.040 3.034 2.775 3.258 . 0 0 "[ . 1 . 2 .]" 1
188 1 12 ARG QG 1 13 ARG H 3.850 . 6.000 4.575 4.473 4.739 . 0 0 "[ . 1 . 2 .]" 1
189 1 13 ARG H 1 13 ARG QB 3.080 . 4.460 2.340 2.081 2.527 . 0 0 "[ . 1 . 2 .]" 1
190 1 13 ARG H 1 13 ARG QD 5.000 2.580 7.420 4.062 3.083 4.602 . 0 0 "[ . 1 . 2 .]" 1
191 1 13 ARG H 1 13 ARG QG 3.720 . 4.300 2.588 2.146 3.100 . 0 0 "[ . 1 . 2 .]" 1
192 1 13 ARG H 1 14 LEU H 3.210 . 4.620 2.504 2.289 2.867 . 0 0 "[ . 1 . 2 .]" 1
193 1 13 ARG H 1 15 LEU H 4.200 2.700 5.700 4.144 3.639 4.444 . 0 0 "[ . 1 . 2 .]" 1
194 1 13 ARG H 1 15 LEU HG 3.850 . 6.000 4.905 4.019 5.708 . 0 0 "[ . 1 . 2 .]" 1
195 1 13 ARG H 1 16 GLN QB 3.990 2.060 5.920 4.759 4.343 5.265 . 0 0 "[ . 1 . 2 .]" 1
196 1 13 ARG HA 1 13 ARG QD 3.850 . 6.000 3.711 2.037 4.423 . 0 0 "[ . 1 . 2 .]" 1
197 1 13 ARG HA 1 13 ARG QG 3.330 . 4.960 2.964 2.071 3.437 . 0 0 "[ . 1 . 2 .]" 1
198 1 13 ARG HA 1 14 LEU H 3.670 . 5.640 3.516 3.469 3.564 . 0 0 "[ . 1 . 2 .]" 1
199 1 13 ARG HA 1 15 LEU H 4.200 2.700 5.700 4.642 3.977 4.879 . 0 0 "[ . 1 . 2 .]" 1
200 1 13 ARG HA 1 16 GLN H 4.200 2.700 5.700 3.716 3.154 4.361 . 0 0 "[ . 1 . 2 .]" 1
201 1 13 ARG HA 1 17 GLU H 4.200 2.700 5.700 3.989 2.686 4.453 0.014 10 0 "[ . 1 . 2 .]" 1
202 1 13 ARG QD 1 14 LEU H 3.850 . 6.000 4.207 2.452 5.286 . 0 0 "[ . 1 . 2 .]" 1
203 1 13 ARG QG 1 14 LEU H 3.790 . 5.870 2.869 1.819 4.340 . 0 0 "[ . 1 . 2 .]" 1
204 1 13 ARG QG 1 14 LEU MD1 3.850 . 6.000 4.034 1.856 5.879 . 0 0 "[ . 1 . 2 .]" 1
205 1 14 LEU H 1 14 LEU QB 3.600 2.040 4.420 2.142 2.044 2.449 . 0 0 "[ . 1 . 2 .]" 1
206 1 14 LEU H 1 14 LEU MD1 3.850 . 6.000 3.182 1.978 4.161 . 0 0 "[ . 1 . 2 .]" 1
207 1 14 LEU H 1 14 LEU MD2 3.850 . 6.000 4.122 2.319 4.460 . 0 0 "[ . 1 . 2 .]" 1
208 1 14 LEU H 1 14 LEU HG 3.850 . 6.000 3.732 2.308 4.492 . 0 0 "[ . 1 . 2 .]" 1
209 1 14 LEU H 1 15 LEU H 4.200 2.700 5.700 2.713 2.642 2.861 0.058 21 0 "[ . 1 . 2 .]" 1
210 1 14 LEU H 1 15 LEU HG 3.380 . 5.060 4.108 3.693 4.398 . 0 0 "[ . 1 . 2 .]" 1
211 1 14 LEU HA 1 15 LEU H 4.200 2.700 5.700 3.554 3.477 3.576 . 0 0 "[ . 1 . 2 .]" 1
212 1 14 LEU HA 1 16 GLN H 4.200 2.700 5.700 4.571 4.011 5.474 . 0 0 "[ . 1 . 2 .]" 1
213 1 14 LEU HA 1 17 GLU H 4.200 2.700 5.700 3.628 3.170 4.715 . 0 0 "[ . 1 . 2 .]" 1
214 1 14 LEU HA 1 18 ARG H 3.800 2.300 5.300 5.017 4.141 5.321 0.021 18 0 "[ . 1 . 2 .]" 1
215 1 14 LEU MD1 1 15 LEU H 3.850 . 6.000 4.429 4.068 4.949 . 0 0 "[ . 1 . 2 .]" 1
216 1 14 LEU HG 1 15 LEU H 4.200 2.700 5.700 4.816 4.334 4.986 . 0 0 "[ . 1 . 2 .]" 1
217 1 15 LEU H 1 15 LEU QB 3.580 . 5.460 2.582 2.361 2.711 . 0 0 "[ . 1 . 2 .]" 1
218 1 15 LEU H 1 15 LEU MD1 3.850 . 6.000 3.338 2.948 3.819 . 0 0 "[ . 1 . 2 .]" 1
219 1 15 LEU H 1 15 LEU HG 3.160 . 4.620 2.037 1.878 2.486 . 0 0 "[ . 1 . 2 .]" 1
220 1 15 LEU H 1 16 GLN H 1.800 . 5.180 2.683 2.260 2.859 . 0 0 "[ . 1 . 2 .]" 1
221 1 15 LEU H 1 16 GLN HA 4.200 2.700 5.700 5.274 4.928 5.396 . 0 0 "[ . 1 . 2 .]" 1
222 1 15 LEU H 1 16 GLN QB 3.700 . 5.490 4.513 4.054 4.759 . 0 0 "[ . 1 . 2 .]" 1
223 1 15 LEU H 1 16 GLN QG 2.480 2.480 6.000 4.881 4.357 5.698 . 0 0 "[ . 1 . 2 .]" 1
224 1 15 LEU H 1 17 GLU H 4.130 2.130 6.130 3.937 3.502 4.666 . 0 0 "[ . 1 . 2 .]" 1
225 1 15 LEU HA 1 15 LEU MD1 3.400 . 5.090 3.841 3.524 3.970 . 0 0 "[ . 1 . 2 .]" 1
226 1 15 LEU HA 1 15 LEU HG 2.960 . 4.210 3.234 2.831 3.709 . 0 0 "[ . 1 . 2 .]" 1
227 1 15 LEU HA 1 16 GLN H 1.700 . 4.000 3.521 3.392 3.607 . 0 0 "[ . 1 . 2 .]" 1
228 1 15 LEU HA 1 16 GLN QB 3.810 . 5.920 5.355 5.199 5.481 . 0 0 "[ . 1 . 2 .]" 1
229 1 15 LEU HA 1 16 GLN QG 3.850 . 6.000 5.336 5.068 5.702 . 0 0 "[ . 1 . 2 .]" 1
230 1 15 LEU HA 1 17 GLU H 1.700 . 6.000 4.181 3.828 4.930 . 0 0 "[ . 1 . 2 .]" 1
231 1 15 LEU HA 1 18 ARG H 3.300 . 4.900 4.028 3.472 4.534 . 0 0 "[ . 1 . 2 .]" 1
232 1 15 LEU QB 1 16 GLN QG 3.850 . 6.000 3.677 2.992 4.791 . 0 0 "[ . 1 . 2 .]" 1
233 1 15 LEU MD1 1 17 GLU H 3.850 . 6.000 5.316 4.023 6.017 0.017 17 0 "[ . 1 . 2 .]" 1
234 1 15 LEU HG 1 16 GLN QB 3.850 . 6.000 5.121 3.417 6.026 0.026 25 0 "[ . 1 . 2 .]" 1
235 1 15 LEU HG 1 16 GLN QG 3.850 . 6.000 4.844 2.936 6.001 0.001 25 0 "[ . 1 . 2 .]" 1
236 1 16 GLN H 1 16 GLN QB 3.440 . 4.790 2.244 2.084 2.498 . 0 0 "[ . 1 . 2 .]" 1
237 1 16 GLN H 1 16 GLN QE 5.540 2.850 8.230 4.908 3.549 5.525 . 0 0 "[ . 1 . 2 .]" 1
238 1 16 GLN H 1 16 GLN QG 3.330 . 4.740 2.846 2.100 3.288 . 0 0 "[ . 1 . 2 .]" 1
239 1 16 GLN H 1 17 GLU H 3.130 . 4.420 2.503 2.262 3.302 . 0 0 "[ . 1 . 2 .]" 1
240 1 16 GLN H 1 17 GLU HA 4.020 2.070 5.970 5.076 4.853 5.736 . 0 0 "[ . 1 . 2 .]" 1
241 1 16 GLN H 1 17 GLU QG 3.850 . 6.000 5.173 3.946 6.019 0.019 25 0 "[ . 1 . 2 .]" 1
242 1 16 GLN H 1 18 ARG H 4.200 2.700 5.700 4.220 3.770 4.543 . 0 0 "[ . 1 . 2 .]" 1
243 1 16 GLN HA 1 16 GLN QE 3.850 . 6.000 4.232 1.992 4.794 . 0 0 "[ . 1 . 2 .]" 1
244 1 16 GLN HA 1 16 GLN QG 3.250 . 4.800 2.307 2.114 2.600 . 0 0 "[ . 1 . 2 .]" 1
245 1 16 GLN HA 1 17 GLU H 2.920 . 4.330 3.457 3.376 3.586 . 0 0 "[ . 1 . 2 .]" 1
246 1 16 GLN HA 1 18 ARG H 4.200 2.700 5.700 3.774 3.381 4.375 . 0 0 "[ . 1 . 2 .]" 1
247 1 16 GLN QB 1 16 GLN QE 3.850 2.180 6.000 3.058 2.216 3.570 . 0 0 "[ . 1 . 2 .]" 1
248 1 16 GLN QB 1 17 GLU H 1.700 . 4.420 2.982 2.354 3.213 . 0 0 "[ . 1 . 2 .]" 1
249 1 16 GLN QB 1 17 GLU HA 3.080 . 4.460 3.948 3.686 4.036 . 0 0 "[ . 1 . 2 .]" 1
250 1 16 GLN QB 1 17 GLU QG 3.520 . 5.340 4.325 2.958 5.294 . 0 0 "[ . 1 . 2 .]" 1
251 1 16 GLN QB 1 18 ARG QB 3.850 . 6.000 5.964 5.477 6.145 0.145 2 0 "[ . 1 . 2 .]" 1
252 1 16 GLN QB 1 18 ARG QG 3.730 . 5.750 5.161 4.489 5.764 0.014 15 0 "[ . 1 . 2 .]" 1
253 1 16 GLN QE 1 16 GLN QG 3.850 . 5.080 2.185 2.071 2.408 . 0 0 "[ . 1 . 2 .]" 1
254 1 16 GLN QG 1 17 GLU H 3.850 . 6.000 4.429 4.088 4.561 . 0 0 "[ . 1 . 2 .]" 1
255 1 16 GLN QG 1 17 GLU HA 3.850 . 6.000 5.787 5.437 5.906 . 0 0 "[ . 1 . 2 .]" 1
256 1 17 GLU H 1 17 GLU QB 3.000 . 4.460 2.156 2.037 2.518 . 0 0 "[ . 1 . 2 .]" 1
257 1 17 GLU H 1 17 GLU QG 3.290 . 4.880 3.284 2.404 4.027 . 0 0 "[ . 1 . 2 .]" 1
258 1 17 GLU H 1 18 ARG H 3.220 . 4.780 2.641 2.341 2.855 . 0 0 "[ . 1 . 2 .]" 1
259 1 17 GLU HA 1 18 ARG H 2.110 2.110 5.140 3.383 3.090 3.538 . 0 0 "[ . 1 . 2 .]" 1
260 1 17 GLU HA 1 19 GLU H 4.200 2.700 5.700 3.772 3.264 4.724 . 0 0 "[ . 1 . 2 .]" 1
261 1 17 GLU QB 1 18 ARG H 4.200 2.700 5.700 3.106 2.685 3.679 0.015 11 0 "[ . 1 . 2 .]" 1
262 1 17 GLU QG 1 18 ARG H 3.850 . 6.000 4.548 4.308 4.944 . 0 0 "[ . 1 . 2 .]" 1
263 1 18 ARG H 1 18 ARG QB 3.370 . 5.040 2.487 2.175 2.631 . 0 0 "[ . 1 . 2 .]" 1
264 1 18 ARG H 1 19 GLU QB 3.850 . 6.000 4.952 4.241 5.588 . 0 0 "[ . 1 . 2 .]" 1
265 1 18 ARG H 1 19 GLU QG 3.850 . 6.000 4.675 3.610 6.025 0.025 2 0 "[ . 1 . 2 .]" 1
266 1 18 ARG H 1 20 LEU H 4.200 2.700 5.700 4.481 3.784 5.707 0.007 16 0 "[ . 1 . 2 .]" 1
267 1 18 ARG HA 1 18 ARG QD 3.470 . 5.240 3.883 1.949 4.571 . 0 0 "[ . 1 . 2 .]" 1
268 1 18 ARG HA 1 19 GLU H 4.200 2.700 5.700 3.464 3.065 3.562 . 0 0 "[ . 1 . 2 .]" 1
269 1 18 ARG QB 1 19 GLU H 3.570 . 5.300 3.315 2.266 4.013 . 0 0 "[ . 1 . 2 .]" 1
270 1 18 ARG QB 1 19 GLU QG 3.850 . 6.000 4.540 2.458 6.030 0.030 2 0 "[ . 1 . 2 .]" 1
271 1 18 ARG QD 1 19 GLU QG 3.850 . 6.000 4.813 2.866 6.001 0.001 22 0 "[ . 1 . 2 .]" 1
272 1 19 GLU H 1 19 GLU QB 3.550 . 4.380 2.825 2.088 3.469 . 0 0 "[ . 1 . 2 .]" 1
273 1 19 GLU H 1 19 GLU QG 3.380 . 5.010 2.811 1.934 4.098 . 0 0 "[ . 1 . 2 .]" 1
274 1 19 GLU H 1 20 LEU H 3.370 . 4.950 2.691 1.910 3.847 . 0 0 "[ . 1 . 2 .]" 1
275 1 19 GLU H 1 20 LEU HA 4.200 2.700 5.700 4.947 3.873 5.375 . 0 0 "[ . 1 . 2 .]" 1
276 1 19 GLU H 1 21 VAL H 3.930 2.260 5.600 4.749 3.914 5.603 0.003 16 0 "[ . 1 . 2 .]" 1
277 1 19 GLU HA 1 19 GLU QG 3.310 . 4.920 2.742 2.041 3.415 . 0 0 "[ . 1 . 2 .]" 1
278 1 19 GLU HA 1 20 LEU H 4.200 2.700 5.700 3.163 2.677 3.572 0.023 4 0 "[ . 1 . 2 .]" 1
279 1 19 GLU HA 1 21 VAL H 3.850 . 6.000 4.741 3.034 6.006 0.006 3 0 "[ . 1 . 2 .]" 1
280 1 19 GLU HA 1 23 PRO QD 3.850 . 6.000 5.311 3.004 6.024 0.024 9 0 "[ . 1 . 2 .]" 1
281 1 19 GLU QB 1 20 LEU H 1.780 . 5.130 3.437 2.181 4.055 . 0 0 "[ . 1 . 2 .]" 1
282 1 19 GLU QG 1 20 LEU H 4.130 2.130 6.130 3.943 2.123 4.621 0.007 25 0 "[ . 1 . 2 .]" 1
283 1 19 GLU QG 1 20 LEU QB 3.850 . 6.000 4.919 3.277 6.000 0.000 21 0 "[ . 1 . 2 .]" 1
284 1 19 GLU QG 1 20 LEU MD2 3.850 . 6.000 5.315 3.420 6.014 0.014 9 0 "[ . 1 . 2 .]" 1
285 1 19 GLU QG 1 20 LEU HG 3.850 . 6.000 5.190 4.374 6.018 0.018 2 0 "[ . 1 . 2 .]" 1
286 1 20 LEU H 1 20 LEU HA 2.810 . 3.910 2.829 2.269 2.948 . 0 0 "[ . 1 . 2 .]" 1
287 1 20 LEU H 1 20 LEU QB 3.560 . 4.910 2.680 2.063 3.340 . 0 0 "[ . 1 . 2 .]" 1
288 1 20 LEU H 1 21 VAL H 3.210 . 4.740 2.612 1.941 3.846 . 0 0 "[ . 1 . 2 .]" 1
289 1 20 LEU H 1 21 VAL HA 3.850 . 6.000 4.793 3.853 5.655 . 0 0 "[ . 1 . 2 .]" 1
290 1 20 LEU H 1 21 VAL HB 3.850 . 6.000 5.092 3.785 6.024 0.024 4 0 "[ . 1 . 2 .]" 1
291 1 20 LEU H 1 22 GLU H 4.200 2.700 5.700 4.644 3.369 5.710 0.010 22 0 "[ . 1 . 2 .]" 1
292 1 20 LEU HA 1 20 LEU MD2 3.260 . 4.820 3.049 1.959 3.920 . 0 0 "[ . 1 . 2 .]" 1
293 1 20 LEU HA 1 21 VAL H 1.690 . 4.000 3.183 2.185 3.572 . 0 0 "[ . 1 . 2 .]" 1
294 1 20 LEU HA 1 22 GLU H 3.850 . 6.000 4.886 3.848 6.018 0.018 3 0 "[ . 1 . 2 .]" 1
295 1 20 LEU HA 1 23 PRO QD 3.850 . 6.000 4.704 2.913 5.909 . 0 0 "[ . 1 . 2 .]" 1
296 1 20 LEU QB 1 21 VAL H 1.790 . 4.370 3.015 1.942 4.041 . 0 0 "[ . 1 . 2 .]" 1
297 1 20 LEU HG 1 21 VAL H 3.360 . 5.020 4.509 1.990 5.053 0.033 4 0 "[ . 1 . 2 .]" 1
298 1 21 VAL H 1 21 VAL HB 2.640 . 3.580 3.183 2.617 3.665 0.085 14 0 "[ . 1 . 2 .]" 1
299 1 21 VAL H 1 21 VAL QG 3.850 . 6.000 2.311 1.830 3.355 . 0 0 "[ . 1 . 2 .]" 1
300 1 21 VAL H 1 22 GLU H 3.540 2.140 4.940 2.994 2.097 4.429 0.043 2 0 "[ . 1 . 2 .]" 1
301 1 21 VAL H 1 22 GLU HA 4.900 2.530 7.270 4.882 3.997 5.777 . 0 0 "[ . 1 . 2 .]" 1
302 1 21 VAL H 1 22 GLU QB 2.120 2.120 6.000 4.617 3.982 5.020 . 0 0 "[ . 1 . 2 .]" 1
303 1 21 VAL H 1 22 GLU QG 3.850 . 6.000 5.133 3.361 5.922 . 0 0 "[ . 1 . 2 .]" 1
304 1 21 VAL HA 1 22 GLU H 1.700 . 3.780 3.078 2.125 3.575 . 0 0 "[ . 1 . 2 .]" 1
305 1 21 VAL HA 1 22 GLU QG 3.850 . 6.000 4.829 3.539 5.910 . 0 0 "[ . 1 . 2 .]" 1
306 1 21 VAL HB 1 22 GLU H 1.820 . 4.280 3.450 1.972 4.288 0.008 3 0 "[ . 1 . 2 .]" 1
307 1 21 VAL QG 1 22 GLU H 3.850 . 6.000 2.773 1.836 3.734 . 0 0 "[ . 1 . 2 .]" 1
308 1 21 VAL QG 1 22 GLU HA 3.850 . 6.000 3.877 3.226 4.463 . 0 0 "[ . 1 . 2 .]" 1
309 1 22 GLU H 1 22 GLU QB 3.350 . 4.970 2.958 2.214 3.465 . 0 0 "[ . 1 . 2 .]" 1
310 1 22 GLU H 1 22 GLU QG 3.620 . 5.340 3.773 2.681 4.547 . 0 0 "[ . 1 . 2 .]" 1
311 1 22 GLU H 1 23 PRO HA 3.370 . 5.040 4.628 4.053 5.104 0.064 12 0 "[ . 1 . 2 .]" 1
312 1 22 GLU H 1 23 PRO QD 1.890 . 5.340 2.219 1.870 3.984 0.020 3 0 "[ . 1 . 2 .]" 1
313 1 22 GLU H 1 24 LEU H 4.200 2.700 5.700 4.378 2.687 5.693 0.013 7 0 "[ . 1 . 2 .]" 1
314 1 22 GLU H 1 24 LEU MD2 3.850 . 6.000 4.788 2.041 6.007 0.007 16 0 "[ . 1 . 2 .]" 1
315 1 22 GLU H 1 25 THR MG 3.850 . 6.000 4.976 2.727 6.009 0.009 15 0 "[ . 1 . 2 .]" 1
316 1 22 GLU HA 1 23 PRO QB 3.850 . 6.000 5.165 4.570 5.664 . 0 0 "[ . 1 . 2 .]" 1
317 1 22 GLU HA 1 23 PRO QD 3.140 . 4.580 2.787 1.937 3.541 . 0 0 "[ . 1 . 2 .]" 1
318 1 22 GLU HA 1 23 PRO QG 3.850 . 6.000 4.593 3.841 5.327 . 0 0 "[ . 1 . 2 .]" 1
319 1 22 GLU HA 1 24 LEU H 3.830 . 5.690 3.887 3.086 5.177 . 0 0 "[ . 1 . 2 .]" 1
320 1 22 GLU HA 1 24 LEU MD2 3.850 . 6.000 4.205 2.286 6.094 0.094 4 0 "[ . 1 . 2 .]" 1
321 1 22 GLU QB 1 23 PRO QD 3.850 . 6.000 2.895 1.851 3.849 . 0 0 "[ . 1 . 2 .]" 1
322 1 22 GLU QG 1 23 PRO QD 3.850 . 6.000 3.802 2.858 4.298 . 0 0 "[ . 1 . 2 .]" 1
323 1 23 PRO HA 1 23 PRO QD 3.850 . 6.000 3.403 3.271 3.524 . 0 0 "[ . 1 . 2 .]" 1
324 1 23 PRO HA 1 24 LEU H 1.700 . 4.340 3.263 2.356 3.575 . 0 0 "[ . 1 . 2 .]" 1
325 1 23 PRO HA 1 25 THR H 1.700 . 6.000 4.628 3.368 6.014 0.014 2 0 "[ . 1 . 2 .]" 1
326 1 23 PRO QB 1 24 LEU H 1.740 . 5.000 3.241 1.832 4.016 . 0 0 "[ . 1 . 2 .]" 1
327 1 23 PRO QB 1 25 THR H 4.090 2.150 6.030 4.937 3.172 6.045 0.015 2 0 "[ . 1 . 2 .]" 1
328 1 23 PRO QB 1 25 THR MG 3.850 . 6.000 5.425 3.670 6.012 0.012 23 0 "[ . 1 . 2 .]" 1
329 1 23 PRO QD 1 24 LEU H 2.550 2.550 6.000 3.128 2.534 4.547 0.016 14 0 "[ . 1 . 2 .]" 1
330 1 23 PRO QD 1 24 LEU HA 3.850 . 6.000 5.253 4.688 5.738 . 0 0 "[ . 1 . 2 .]" 1
331 1 23 PRO QD 1 24 LEU QB 3.850 . 6.000 4.656 3.762 5.841 . 0 0 "[ . 1 . 2 .]" 1
332 1 24 LEU H 1 24 LEU QB 3.350 . 5.000 2.797 2.284 3.310 . 0 0 "[ . 1 . 2 .]" 1
333 1 24 LEU H 1 24 LEU HG 3.250 . 4.800 3.416 1.993 4.856 0.056 4 0 "[ . 1 . 2 .]" 1
334 1 24 LEU H 1 25 THR H 3.510 . 5.210 2.694 1.906 4.576 . 0 0 "[ . 1 . 2 .]" 1
335 1 24 LEU H 1 25 THR HB 3.850 . 6.000 5.373 4.189 6.020 0.020 7 0 "[ . 1 . 2 .]" 1
336 1 24 LEU HA 1 24 LEU MD1 3.850 . 6.000 3.525 1.970 4.096 . 0 0 "[ . 1 . 2 .]" 1
337 1 24 LEU HA 1 24 LEU MD2 3.570 . 5.440 3.448 1.805 3.988 . 0 0 "[ . 1 . 2 .]" 1
338 1 24 LEU HA 1 25 THR H 1.700 . 4.400 3.074 2.132 3.572 . 0 0 "[ . 1 . 2 .]" 1
339 1 24 LEU HA 1 25 THR HA 3.850 . 6.000 4.701 4.352 5.364 . 0 0 "[ . 1 . 2 .]" 1
340 1 24 LEU HA 1 25 THR MG 3.850 . 6.000 4.468 3.234 5.625 . 0 0 "[ . 1 . 2 .]" 1
341 1 24 LEU HA 1 26 PRO QD 3.850 . 6.000 5.255 4.155 5.985 . 0 0 "[ . 1 . 2 .]" 1
342 1 24 LEU QB 1 25 THR H 2.000 . 5.760 3.369 1.998 4.045 0.002 5 0 "[ . 1 . 2 .]" 1
343 1 24 LEU QB 1 25 THR HB 3.850 . 6.000 5.583 3.946 6.044 0.044 2 0 "[ . 1 . 2 .]" 1
344 1 24 LEU QB 1 25 THR MG 3.850 . 6.000 4.196 2.815 5.777 . 0 0 "[ . 1 . 2 .]" 1
345 1 24 LEU QB 1 28 GLY H 5.800 2.990 8.610 8.058 7.082 8.615 0.005 17 0 "[ . 1 . 2 .]" 1
346 1 24 LEU MD1 1 25 THR HA 3.850 . 6.000 5.067 3.924 5.932 . 0 0 "[ . 1 . 2 .]" 1
347 1 24 LEU MD1 1 25 THR MG 3.850 . 6.000 4.612 2.608 5.863 . 0 0 "[ . 1 . 2 .]" 1
348 1 24 LEU MD2 1 25 THR HB 3.850 . 6.000 5.379 4.018 6.043 0.043 6 0 "[ . 1 . 2 .]" 1
349 1 25 THR H 1 25 THR HB 3.300 . 4.900 3.715 3.154 4.033 . 0 0 "[ . 1 . 2 .]" 1
350 1 25 THR H 1 25 THR MG 3.460 2.010 5.220 2.612 2.006 3.870 0.004 9 0 "[ . 1 . 2 .]" 1
351 1 25 THR H 1 26 PRO HA 4.200 2.700 5.700 5.119 4.502 5.619 . 0 0 "[ . 1 . 2 .]" 1
352 1 25 THR H 1 26 PRO QD 2.860 2.860 6.000 3.829 2.850 4.420 0.010 23 0 "[ . 1 . 2 .]" 1
353 1 25 THR H 1 27 SER H 5.380 2.780 7.990 5.301 4.159 6.436 . 0 0 "[ . 1 . 2 .]" 1
354 1 25 THR HA 1 25 THR HB 2.890 . 4.080 2.469 2.291 2.987 . 0 0 "[ . 1 . 2 .]" 1
355 1 25 THR HA 1 25 THR MG 3.230 . 4.760 2.613 2.027 3.202 . 0 0 "[ . 1 . 2 .]" 1
356 1 25 THR HA 1 26 PRO HA 3.350 . 5.000 4.495 4.388 4.597 . 0 0 "[ . 1 . 2 .]" 1
357 1 25 THR HA 1 26 PRO QB 3.850 . 6.000 4.616 4.394 4.764 . 0 0 "[ . 1 . 2 .]" 1
358 1 25 THR HA 1 26 PRO QD 2.740 . 3.780 1.998 1.897 2.180 . 0 0 "[ . 1 . 2 .]" 1
359 1 25 THR HA 1 26 PRO QG 3.850 . 6.000 3.910 3.806 4.093 . 0 0 "[ . 1 . 2 .]" 1
360 1 25 THR HA 1 27 SER H 3.940 2.030 5.850 3.858 3.348 4.429 . 0 0 "[ . 1 . 2 .]" 1
361 1 25 THR HB 1 26 PRO HA 3.850 . 6.000 5.468 4.789 6.030 0.030 11 0 "[ . 1 . 2 .]" 1
362 1 25 THR HB 1 26 PRO QB 3.850 . 6.000 5.636 4.950 6.040 0.040 6 0 "[ . 1 . 2 .]" 1
363 1 25 THR HB 1 26 PRO QD 3.390 . 5.080 3.371 1.922 4.218 . 0 0 "[ . 1 . 2 .]" 1
364 1 25 THR HB 1 26 PRO QG 3.850 . 6.000 5.131 3.694 5.838 . 0 0 "[ . 1 . 2 .]" 1
365 1 25 THR HB 1 27 SER QB 3.850 . 6.000 5.387 4.402 6.003 0.003 16 0 "[ . 1 . 2 .]" 1
366 1 25 THR HB 1 28 GLY QA 3.850 . 6.000 4.125 2.251 6.006 0.006 23 0 "[ . 1 . 2 .]" 1
367 1 25 THR MG 1 26 PRO QD 3.850 . 6.000 3.599 2.756 3.967 . 0 0 "[ . 1 . 2 .]" 1
368 1 25 THR MG 1 26 PRO QG 3.850 . 6.000 5.131 4.112 5.589 . 0 0 "[ . 1 . 2 .]" 1
369 1 25 THR MG 1 27 SER H 4.560 2.350 6.770 4.036 2.602 5.251 . 0 0 "[ . 1 . 2 .]" 1
370 1 25 THR MG 1 28 GLY QA 3.850 . 6.000 3.528 2.044 6.002 0.002 5 0 "[ . 1 . 2 .]" 1
371 1 26 PRO HA 1 26 PRO QD 3.850 . 6.000 3.400 3.324 3.533 . 0 0 "[ . 1 . 2 .]" 1
372 1 26 PRO HA 1 27 SER H 1.700 . 4.380 3.405 2.745 3.572 . 0 0 "[ . 1 . 2 .]" 1
373 1 26 PRO HA 1 28 GLY H 4.200 2.700 5.700 5.036 3.633 5.732 0.032 7 0 "[ . 1 . 2 .]" 1
374 1 26 PRO QB 1 27 SER H 3.900 2.010 5.790 3.167 2.004 4.015 0.006 1 0 "[ . 1 . 2 .]" 1
375 1 26 PRO QB 1 28 GLY H 5.660 3.520 7.800 4.976 3.635 5.959 . 0 0 "[ . 1 . 2 .]" 1
376 1 26 PRO QD 1 27 SER H 4.820 2.480 7.150 2.825 2.541 3.855 . 0 0 "[ . 1 . 2 .]" 1
377 1 26 PRO QD 1 27 SER QB 3.850 . 6.000 4.572 3.833 5.644 . 0 0 "[ . 1 . 2 .]" 1
378 1 26 PRO QG 1 27 SER H 2.540 2.540 6.000 3.337 2.524 4.301 0.016 6 0 "[ . 1 . 2 .]" 1
379 1 27 SER H 1 27 SER QB 3.530 . 5.240 2.840 2.409 3.395 . 0 0 "[ . 1 . 2 .]" 1
380 1 27 SER H 1 28 GLY QA 4.200 2.700 5.700 4.095 3.540 4.669 . 0 0 "[ . 1 . 2 .]" 1
381 1 27 SER HA 1 28 GLY H 4.200 2.700 5.700 3.223 2.667 3.575 0.033 24 0 "[ . 1 . 2 .]" 1
382 1 27 SER QB 1 28 GLY H 4.200 2.700 5.700 3.301 2.696 4.057 0.004 1 0 "[ . 1 . 2 .]" 1
383 1 28 GLY H 1 29 GLU H 3.250 . 4.680 2.983 1.809 4.104 0.001 16 0 "[ . 1 . 2 .]" 1
384 1 28 GLY H 1 29 GLU HA 4.980 2.570 7.390 4.853 4.292 5.609 . 0 0 "[ . 1 . 2 .]" 1
385 1 28 GLY H 1 30 ALA H 1.700 . 3.350 3.268 2.839 3.387 0.037 9 0 "[ . 1 . 2 .]" 1
386 1 28 GLY H 1 32 ASN H 5.310 2.740 7.890 7.075 4.507 7.899 0.009 24 0 "[ . 1 . 2 .]" 1
387 1 28 GLY QA 1 29 GLU H 1.700 . 4.540 2.449 2.115 2.891 . 0 0 "[ . 1 . 2 .]" 1
388 1 28 GLY QA 1 29 GLU HA 3.850 . 6.000 4.044 3.931 4.508 . 0 0 "[ . 1 . 2 .]" 1
389 1 28 GLY QA 1 29 GLU QB 3.850 . 6.000 3.982 3.470 4.584 . 0 0 "[ . 1 . 2 .]" 1
390 1 28 GLY QA 1 29 GLU QG 3.850 . 6.000 4.432 3.298 5.589 . 0 0 "[ . 1 . 2 .]" 1
391 1 28 GLY QA 1 30 ALA H 4.050 2.090 6.010 3.933 3.400 4.700 . 0 0 "[ . 1 . 2 .]" 1
392 1 29 GLU H 1 29 GLU QB 3.600 . 4.500 2.601 2.064 3.357 . 0 0 "[ . 1 . 2 .]" 1
393 1 29 GLU H 1 29 GLU QG 3.460 . 4.940 3.407 1.936 4.308 . 0 0 "[ . 1 . 2 .]" 1
394 1 29 GLU H 1 30 ALA H 3.960 2.060 5.850 2.672 2.038 3.629 0.022 9 0 "[ . 1 . 2 .]" 1
395 1 29 GLU H 1 30 ALA MB 3.720 . 5.740 4.391 3.187 5.261 . 0 0 "[ . 1 . 2 .]" 1
396 1 29 GLU HA 1 29 GLU QG 3.420 . 5.140 2.386 2.031 3.393 . 0 0 "[ . 1 . 2 .]" 1
397 1 29 GLU HA 1 30 ALA H 1.700 . 4.080 3.248 2.692 3.580 . 0 0 "[ . 1 . 2 .]" 1
398 1 29 GLU HA 1 30 ALA HA 3.580 . 5.460 4.689 4.380 5.154 . 0 0 "[ . 1 . 2 .]" 1
399 1 29 GLU QB 1 30 ALA MB 3.850 . 6.000 3.884 2.946 5.058 . 0 0 "[ . 1 . 2 .]" 1
400 1 29 GLU QB 1 31 PRO QD 3.850 . 6.000 5.028 1.872 5.928 . 0 0 "[ . 1 . 2 .]" 1
401 1 30 ALA H 1 30 ALA MB 3.160 . 4.620 2.608 2.072 3.150 . 0 0 "[ . 1 . 2 .]" 1
402 1 30 ALA H 1 31 PRO QD 1.940 . 5.590 3.920 1.926 4.404 0.014 21 0 "[ . 1 . 2 .]" 1
403 1 30 ALA H 1 32 ASN H 2.600 2.600 6.000 5.059 3.268 5.862 . 0 0 "[ . 1 . 2 .]" 1
404 1 30 ALA H 1 33 GLN H 3.880 . 5.760 4.353 3.538 4.907 . 0 0 "[ . 1 . 2 .]" 1
405 1 30 ALA H 1 33 GLN HA 4.500 2.310 6.690 6.472 5.597 6.704 0.014 2 0 "[ . 1 . 2 .]" 1
406 1 30 ALA H 1 33 GLN QB 1.770 . 5.110 4.223 3.508 5.116 0.006 9 0 "[ . 1 . 2 .]" 1
407 1 30 ALA H 1 33 GLN QG 2.020 2.020 5.810 3.193 2.015 4.463 0.005 4 0 "[ . 1 . 2 .]" 1
408 1 30 ALA H 1 34 ALA H 4.110 2.480 5.740 5.449 4.700 5.754 0.014 24 0 "[ . 1 . 2 .]" 1
409 1 30 ALA HA 1 31 PRO HA 3.850 . 6.000 4.500 4.394 4.943 . 0 0 "[ . 1 . 2 .]" 1
410 1 30 ALA HA 1 31 PRO QB 3.850 . 6.000 4.887 4.538 5.667 . 0 0 "[ . 1 . 2 .]" 1
411 1 30 ALA HA 1 31 PRO QD 3.170 . 4.640 2.368 1.883 3.576 . 0 0 "[ . 1 . 2 .]" 1
412 1 30 ALA HA 1 31 PRO QG 3.850 . 6.000 4.231 3.788 5.337 . 0 0 "[ . 1 . 2 .]" 1
413 1 30 ALA HA 1 32 ASN H 4.200 2.700 5.700 4.498 3.707 5.479 . 0 0 "[ . 1 . 2 .]" 1
414 1 30 ALA HA 1 33 GLN QB 3.850 . 6.000 5.483 3.823 6.012 0.012 1 0 "[ . 1 . 2 .]" 1
415 1 30 ALA HA 1 33 GLN QG 3.850 . 6.000 4.485 3.304 5.598 . 0 0 "[ . 1 . 2 .]" 1
416 1 30 ALA MB 1 31 PRO QD 3.410 . 5.120 2.139 1.696 3.228 0.004 9 0 "[ . 1 . 2 .]" 1
417 1 30 ALA MB 1 31 PRO QG 3.850 . 6.000 3.752 3.105 4.788 . 0 0 "[ . 1 . 2 .]" 1
418 1 30 ALA MB 1 32 ASN H 3.210 . 4.710 3.204 2.459 4.760 0.050 23 0 "[ . 1 . 2 .]" 1
419 1 30 ALA MB 1 32 ASN QD 1.990 . 5.960 4.684 2.184 5.983 0.023 9 0 "[ . 1 . 2 .]" 1
420 1 30 ALA MB 1 33 GLN QG 3.580 . 5.460 3.268 1.870 4.959 . 0 0 "[ . 1 . 2 .]" 1
421 1 31 PRO HA 1 31 PRO QD 3.740 . 5.780 3.379 3.282 3.465 . 0 0 "[ . 1 . 2 .]" 1
422 1 31 PRO HA 1 32 ASN H 1.700 . 5.000 3.552 3.502 3.576 . 0 0 "[ . 1 . 2 .]" 1
423 1 31 PRO HA 1 32 ASN QB 3.850 . 6.000 5.306 5.093 5.656 . 0 0 "[ . 1 . 2 .]" 1
424 1 31 PRO HA 1 33 GLN H 1.700 . 5.960 4.525 3.935 5.211 . 0 0 "[ . 1 . 2 .]" 1
425 1 31 PRO HA 1 34 ALA H 1.910 . 5.510 3.405 2.988 3.614 . 0 0 "[ . 1 . 2 .]" 1
426 1 31 PRO HA 1 34 ALA MB 3.130 . 4.560 2.491 1.952 3.335 . 0 0 "[ . 1 . 2 .]" 1
427 1 31 PRO HA 1 35 LEU H 3.850 . 6.000 4.503 3.486 5.339 . 0 0 "[ . 1 . 2 .]" 1
428 1 31 PRO HA 1 35 LEU MD1 3.850 . 6.000 4.172 3.452 5.322 . 0 0 "[ . 1 . 2 .]" 1
429 1 31 PRO QB 1 32 ASN H 1.990 . 4.950 2.640 2.119 3.240 . 0 0 "[ . 1 . 2 .]" 1
430 1 31 PRO QB 1 32 ASN HA 3.850 . 6.000 3.771 3.613 4.082 . 0 0 "[ . 1 . 2 .]" 1
431 1 31 PRO QB 1 32 ASN QB 3.850 . 6.000 4.348 3.907 5.043 . 0 0 "[ . 1 . 2 .]" 1
432 1 31 PRO QB 1 33 GLN H 3.850 . 6.000 4.941 4.639 5.211 . 0 0 "[ . 1 . 2 .]" 1
433 1 31 PRO QB 1 34 ALA MB 3.850 . 6.000 3.644 3.218 4.010 . 0 0 "[ . 1 . 2 .]" 1
434 1 31 PRO QB 1 35 LEU H 3.850 . 6.000 4.669 4.084 5.266 . 0 0 "[ . 1 . 2 .]" 1
435 1 31 PRO QD 1 32 ASN H 1.920 . 5.380 2.682 2.328 2.978 . 0 0 "[ . 1 . 2 .]" 1
436 1 31 PRO QD 1 32 ASN QB 3.850 . 6.000 4.118 3.557 4.669 . 0 0 "[ . 1 . 2 .]" 1
437 1 31 PRO QD 1 33 GLN H 5.740 2.960 8.520 4.683 4.155 5.154 . 0 0 "[ . 1 . 2 .]" 1
438 1 31 PRO QG 1 32 ASN H 1.840 . 5.000 3.038 1.860 3.878 . 0 0 "[ . 1 . 2 .]" 1
439 1 31 PRO QG 1 32 ASN HA 3.850 . 6.000 4.911 3.774 5.619 . 0 0 "[ . 1 . 2 .]" 1
440 1 31 PRO QG 1 32 ASN QB 3.850 . 6.000 4.630 3.289 5.763 . 0 0 "[ . 1 . 2 .]" 1
441 1 32 ASN H 1 32 ASN QB 3.620 . 4.110 2.318 2.061 2.686 . 0 0 "[ . 1 . 2 .]" 1
442 1 32 ASN H 1 32 ASN QD 4.200 2.290 6.100 3.445 2.288 4.394 0.002 23 0 "[ . 1 . 2 .]" 1
443 1 32 ASN H 1 33 GLN H 3.200 . 4.580 3.060 2.855 3.275 . 0 0 "[ . 1 . 2 .]" 1
444 1 32 ASN H 1 33 GLN HA 4.960 2.560 7.360 5.562 5.423 5.685 . 0 0 "[ . 1 . 2 .]" 1
445 1 32 ASN H 1 33 GLN QB 1.700 . 6.000 5.243 5.003 5.466 . 0 0 "[ . 1 . 2 .]" 1
446 1 32 ASN H 1 33 GLN QG 2.370 2.370 6.000 4.375 4.102 4.667 . 0 0 "[ . 1 . 2 .]" 1
447 1 32 ASN H 1 34 ALA H 4.270 2.280 6.260 4.064 3.864 4.276 . 0 0 "[ . 1 . 2 .]" 1
448 1 32 ASN H 1 34 ALA MB 3.390 . 5.080 4.603 4.088 4.928 . 0 0 "[ . 1 . 2 .]" 1
449 1 32 ASN H 1 35 LEU H 4.670 2.410 6.930 5.054 4.704 5.388 . 0 0 "[ . 1 . 2 .]" 1
450 1 32 ASN H 1 35 LEU QB 3.850 . 6.000 5.868 5.423 6.075 0.075 9 0 "[ . 1 . 2 .]" 1
451 1 32 ASN H 1 35 LEU MD1 4.200 2.700 5.700 3.681 3.156 4.380 . 0 0 "[ . 1 . 2 .]" 1
452 1 32 ASN H 1 36 LEU H 5.310 2.740 7.890 5.959 5.814 6.156 . 0 0 "[ . 1 . 2 .]" 1
453 1 32 ASN HA 1 32 ASN QD 3.850 2.050 6.000 2.755 2.046 4.089 0.004 1 0 "[ . 1 . 2 .]" 1
454 1 32 ASN HA 1 33 GLN H 3.480 . 5.170 3.559 3.505 3.581 . 0 0 "[ . 1 . 2 .]" 1
455 1 32 ASN HA 1 33 GLN QG 3.850 . 6.000 5.048 4.755 5.314 . 0 0 "[ . 1 . 2 .]" 1
456 1 32 ASN HA 1 34 ALA H 1.700 . 6.000 4.005 3.780 4.278 . 0 0 "[ . 1 . 2 .]" 1
457 1 32 ASN HA 1 35 LEU H 2.180 2.180 6.000 3.670 3.402 4.033 . 0 0 "[ . 1 . 2 .]" 1
458 1 32 ASN HA 1 35 LEU QB 3.400 . 5.100 3.641 3.277 4.187 . 0 0 "[ . 1 . 2 .]" 1
459 1 32 ASN HA 1 35 LEU MD1 3.850 . 6.000 2.098 1.812 2.618 . 0 0 "[ . 1 . 2 .]" 1
460 1 32 ASN HA 1 36 LEU H 4.210 2.170 6.250 4.083 3.882 4.534 . 0 0 "[ . 1 . 2 .]" 1
461 1 32 ASN QB 1 33 GLN H 3.080 . 4.570 2.534 1.972 3.464 . 0 0 "[ . 1 . 2 .]" 1
462 1 32 ASN QB 1 33 GLN HA 3.850 . 6.000 3.890 3.650 4.507 . 0 0 "[ . 1 . 2 .]" 1
463 1 32 ASN QB 1 33 GLN QB 3.850 . 6.000 4.347 3.725 5.239 . 0 0 "[ . 1 . 2 .]" 1
464 1 32 ASN QB 1 33 GLN QG 3.850 . 6.000 3.558 2.454 5.276 . 0 0 "[ . 1 . 2 .]" 1
465 1 32 ASN QB 1 34 ALA H 2.370 2.370 6.000 4.407 4.060 4.792 . 0 0 "[ . 1 . 2 .]" 1
466 1 32 ASN QB 1 34 ALA MB 3.850 . 6.000 5.320 4.941 5.596 . 0 0 "[ . 1 . 2 .]" 1
467 1 32 ASN QB 1 35 LEU H 5.220 2.690 7.750 5.123 4.872 5.412 . 0 0 "[ . 1 . 2 .]" 1
468 1 32 ASN QB 1 35 LEU MD1 3.850 . 6.000 3.805 3.367 4.383 . 0 0 "[ . 1 . 2 .]" 1
469 1 32 ASN QB 1 35 LEU HG 3.850 . 6.000 5.971 5.686 6.031 0.031 12 0 "[ . 1 . 2 .]" 1
470 1 32 ASN QB 1 36 LEU QB 3.850 . 6.000 4.088 3.658 4.947 . 0 0 "[ . 1 . 2 .]" 1
471 1 32 ASN QD 1 33 GLN QG 4.210 2.040 6.380 4.999 2.042 6.300 . 0 0 "[ . 1 . 2 .]" 1
472 1 32 ASN QD 1 34 ALA H 4.720 2.440 7.010 5.355 4.486 5.876 . 0 0 "[ . 1 . 2 .]" 1
473 1 32 ASN QD 1 34 ALA MB 3.850 . 6.000 5.826 5.517 6.001 0.001 11 0 "[ . 1 . 2 .]" 1
474 1 33 GLN H 1 33 GLN HA 2.760 . 4.100 2.807 2.758 2.887 . 0 0 "[ . 1 . 2 .]" 1
475 1 33 GLN H 1 33 GLN QB 3.230 . 4.250 2.596 2.304 2.785 . 0 0 "[ . 1 . 2 .]" 1
476 1 33 GLN H 1 33 GLN QE 5.430 2.800 8.050 4.271 3.311 4.768 . 0 0 "[ . 1 . 2 .]" 1
477 1 33 GLN H 1 33 GLN QG 3.240 . 4.810 2.128 1.898 2.640 . 0 0 "[ . 1 . 2 .]" 1
478 1 33 GLN H 1 34 ALA H 3.100 . 4.330 2.652 2.364 2.802 . 0 0 "[ . 1 . 2 .]" 1
479 1 33 GLN H 1 34 ALA MB 3.460 . 5.130 4.273 4.004 4.413 . 0 0 "[ . 1 . 2 .]" 1
480 1 33 GLN H 1 35 LEU MD1 3.900 2.010 5.790 4.621 3.714 5.369 . 0 0 "[ . 1 . 2 .]" 1
481 1 33 GLN H 1 36 LEU QB 4.200 2.700 5.700 3.916 3.725 4.157 . 0 0 "[ . 1 . 2 .]" 1
482 1 33 GLN HA 1 33 GLN QE 3.850 2.990 6.000 4.496 3.361 5.512 . 0 0 "[ . 1 . 2 .]" 1
483 1 33 GLN HA 1 33 GLN QG 3.040 . 4.380 2.986 2.595 3.388 . 0 0 "[ . 1 . 2 .]" 1
484 1 33 GLN HA 1 34 ALA H 4.200 2.700 5.700 3.456 3.423 3.468 . 0 0 "[ . 1 . 2 .]" 1
485 1 33 GLN HA 1 35 LEU H 4.200 2.700 5.700 4.663 3.973 4.840 . 0 0 "[ . 1 . 2 .]" 1
486 1 33 GLN HA 1 36 LEU H 2.600 . 3.870 3.186 2.918 3.276 . 0 0 "[ . 1 . 2 .]" 1
487 1 33 GLN HA 1 36 LEU QB 3.310 . 4.920 1.746 1.703 1.858 . 0 0 "[ . 1 . 2 .]" 1
488 1 33 GLN HA 1 37 ARG H 2.600 . 3.870 3.805 3.121 3.926 0.056 10 0 "[ . 1 . 2 .]" 1
489 1 33 GLN QB 1 33 GLN QE 3.850 2.320 6.000 3.352 2.532 3.728 . 0 0 "[ . 1 . 2 .]" 1
490 1 33 GLN QB 1 34 ALA H 1.700 . 4.790 3.206 2.913 3.643 . 0 0 "[ . 1 . 2 .]" 1
491 1 33 GLN QB 1 34 ALA HA 3.850 . 6.000 4.124 3.876 4.579 . 0 0 "[ . 1 . 2 .]" 1
492 1 33 GLN QB 1 36 LEU HA 3.850 . 6.000 6.089 6.054 6.120 0.120 22 0 "[ . 1 . 2 .]" 1
493 1 33 GLN QG 1 34 ALA H 1.910 . 5.500 3.303 2.140 4.083 . 0 0 "[ . 1 . 2 .]" 1
494 1 33 GLN QG 1 34 ALA HA 3.850 . 6.000 4.885 3.305 5.813 . 0 0 "[ . 1 . 2 .]" 1
495 1 33 GLN QG 1 34 ALA MB 3.510 . 5.320 4.394 3.112 5.327 0.007 19 0 "[ . 1 . 2 .]" 1
496 1 34 ALA H 1 34 ALA HA 2.400 . 3.090 2.831 2.790 2.845 . 0 0 "[ . 1 . 2 .]" 1
497 1 34 ALA H 1 34 ALA MB 2.910 . 4.120 2.134 2.041 2.242 . 0 0 "[ . 1 . 2 .]" 1
498 1 34 ALA H 1 35 LEU H 3.200 . 4.520 2.685 2.639 2.720 . 0 0 "[ . 1 . 2 .]" 1
499 1 34 ALA H 1 36 LEU H 4.200 2.700 5.700 3.526 3.433 3.795 . 0 0 "[ . 1 . 2 .]" 1
500 1 34 ALA H 1 38 ILE H 4.200 2.700 5.700 5.763 5.715 5.878 0.178 4 0 "[ . 1 . 2 .]" 1
501 1 34 ALA HA 1 35 LEU H 4.200 2.700 5.700 3.551 3.510 3.560 . 0 0 "[ . 1 . 2 .]" 1
502 1 34 ALA HA 1 37 ARG H 4.200 2.700 5.700 3.765 3.479 4.270 . 0 0 "[ . 1 . 2 .]" 1
503 1 34 ALA HA 1 38 ILE H 3.850 . 6.000 4.089 3.865 4.525 . 0 0 "[ . 1 . 2 .]" 1
504 1 34 ALA MB 1 35 LEU H 2.000 . 4.240 2.260 2.081 2.782 . 0 0 "[ . 1 . 2 .]" 1
505 1 34 ALA MB 1 35 LEU HA 3.850 . 6.000 3.731 3.669 3.895 . 0 0 "[ . 1 . 2 .]" 1
506 1 34 ALA MB 1 35 LEU QB 3.850 . 6.000 4.208 4.100 4.383 . 0 0 "[ . 1 . 2 .]" 1
507 1 34 ALA MB 1 35 LEU HG 2.770 . 3.840 2.730 2.609 2.994 . 0 0 "[ . 1 . 2 .]" 1
508 1 34 ALA MB 1 36 LEU H 3.850 . 5.710 4.098 4.000 4.378 . 0 0 "[ . 1 . 2 .]" 1
509 1 34 ALA MB 1 36 LEU QB 3.850 . 6.000 4.989 4.898 5.266 . 0 0 "[ . 1 . 2 .]" 1
510 1 34 ALA MB 1 38 ILE H 2.080 2.080 5.980 4.694 4.512 5.085 . 0 0 "[ . 1 . 2 .]" 1
511 1 34 ALA MB 1 38 ILE HB 3.850 . 6.000 4.296 3.767 5.701 . 0 0 "[ . 1 . 2 .]" 1
512 1 35 LEU H 1 35 LEU QB 3.250 . 4.800 2.705 2.534 2.889 . 0 0 "[ . 1 . 2 .]" 1
513 1 35 LEU H 1 35 LEU HG 2.270 . 2.830 1.998 1.911 2.230 . 0 0 "[ . 1 . 2 .]" 1
514 1 35 LEU H 1 36 LEU H 3.440 . 5.110 2.472 2.155 2.537 . 0 0 "[ . 1 . 2 .]" 1
515 1 35 LEU H 1 36 LEU QB 3.850 . 6.000 4.145 3.814 4.263 . 0 0 "[ . 1 . 2 .]" 1
516 1 35 LEU HA 1 35 LEU HG 2.290 . 2.870 2.884 2.809 2.967 0.097 9 0 "[ . 1 . 2 .]" 1
517 1 35 LEU HA 1 38 ILE H 4.200 2.700 5.700 3.342 3.070 3.498 . 0 0 "[ . 1 . 2 .]" 1
518 1 35 LEU HA 1 38 ILE HA 3.530 . 5.360 5.268 4.843 5.406 0.046 17 0 "[ . 1 . 2 .]" 1
519 1 35 LEU HA 1 38 ILE HB 2.850 . 4.000 3.042 1.947 4.010 0.010 7 0 "[ . 1 . 2 .]" 1
520 1 35 LEU HA 1 38 ILE MG 3.190 . 4.670 2.953 1.693 4.416 0.007 13 0 "[ . 1 . 2 .]" 1
521 1 35 LEU MD1 1 40 LYS QE 3.850 . 6.000 5.947 5.414 6.134 0.134 9 0 "[ . 1 . 2 .]" 1
522 1 36 LEU H 1 36 LEU HA 2.790 . 4.150 2.785 2.771 2.812 . 0 0 "[ . 1 . 2 .]" 1
523 1 36 LEU H 1 36 LEU QB 2.750 . 4.080 2.075 2.025 2.244 . 0 0 "[ . 1 . 2 .]" 1
524 1 36 LEU H 1 38 ILE H 4.200 2.700 5.700 3.882 3.688 3.992 . 0 0 "[ . 1 . 2 .]" 1
525 1 36 LEU H 1 38 ILE HA 5.860 3.020 8.700 6.722 6.485 6.856 . 0 0 "[ . 1 . 2 .]" 1
526 1 36 LEU HA 1 37 ARG H 4.200 2.700 5.700 3.591 3.562 3.609 . 0 0 "[ . 1 . 2 .]" 1
527 1 36 LEU HA 1 39 LEU H 1.700 . 6.000 4.662 3.077 5.186 . 0 0 "[ . 1 . 2 .]" 1
528 1 36 LEU HA 1 40 LYS H 4.200 2.700 5.700 5.011 3.632 5.652 . 0 0 "[ . 1 . 2 .]" 1
529 1 36 LEU QB 1 37 ARG H 4.200 2.700 5.700 2.619 2.560 2.671 0.140 9 0 "[ . 1 . 2 .]" 1
530 1 37 ARG H 1 37 ARG QB 3.200 . 4.050 2.631 2.235 2.954 . 0 0 "[ . 1 . 2 .]" 1
531 1 37 ARG H 1 37 ARG QD 5.090 2.630 7.550 4.135 3.548 4.752 . 0 0 "[ . 1 . 2 .]" 1
532 1 37 ARG H 1 38 ILE H 1.700 . 6.000 2.338 2.195 2.636 . 0 0 "[ . 1 . 2 .]" 1
533 1 37 ARG H 1 38 ILE HA 4.570 2.360 6.780 4.894 4.739 5.241 . 0 0 "[ . 1 . 2 .]" 1
534 1 37 ARG H 1 39 LEU H 4.010 2.070 5.960 4.405 3.930 4.574 . 0 0 "[ . 1 . 2 .]" 1
535 1 37 ARG H 1 40 LYS H 4.200 2.700 5.700 4.797 4.463 5.164 . 0 0 "[ . 1 . 2 .]" 1
536 1 37 ARG HA 1 37 ARG QD 3.850 . 6.000 4.086 3.568 4.306 . 0 0 "[ . 1 . 2 .]" 1
537 1 37 ARG HA 1 37 ARG QG 3.500 . 5.290 3.065 2.139 3.417 . 0 0 "[ . 1 . 2 .]" 1
538 1 37 ARG HA 1 38 ILE H 1.700 . 5.780 3.444 3.386 3.507 . 0 0 "[ . 1 . 2 .]" 1
539 1 37 ARG HA 1 39 LEU H 1.700 . 6.000 4.665 4.387 4.835 . 0 0 "[ . 1 . 2 .]" 1
540 1 37 ARG HA 1 40 LYS H . 2.700 3.380 3.428 3.384 3.496 0.116 17 0 "[ . 1 . 2 .]" 1
541 1 37 ARG HA 1 40 LYS QE 3.850 . 6.000 3.612 2.355 4.727 . 0 0 "[ . 1 . 2 .]" 1
542 1 37 ARG HA 1 40 LYS QG 3.810 . 5.920 3.741 1.758 5.155 . 0 0 "[ . 1 . 2 .]" 1
543 1 37 ARG HA 1 41 GLU H 2.120 2.120 3.380 3.460 3.394 3.522 0.142 22 0 "[ . 1 . 2 .]" 1
544 1 37 ARG HA 1 41 GLU QB 3.850 . 6.000 3.799 3.380 4.392 . 0 0 "[ . 1 . 2 .]" 1
545 1 37 ARG QB 1 38 ILE MD 3.850 . 6.000 5.297 3.838 6.012 0.012 19 0 "[ . 1 . 2 .]" 1
546 1 37 ARG QD 1 38 ILE H 5.380 2.780 7.990 4.457 3.439 5.581 . 0 0 "[ . 1 . 2 .]" 1
547 1 37 ARG QD 1 38 ILE MD 3.850 . 6.000 4.886 3.764 6.010 0.010 24 0 "[ . 1 . 2 .]" 1
548 1 37 ARG QG 1 38 ILE HA 3.850 . 6.000 3.849 3.343 4.843 . 0 0 "[ . 1 . 2 .]" 1
549 1 37 ARG QG 1 38 ILE MG 3.750 . 5.790 4.798 3.898 5.823 0.033 24 0 "[ . 1 . 2 .]" 1
550 1 37 ARG QG 1 40 LYS QE 3.850 . 6.000 5.339 4.375 6.082 0.082 5 0 "[ . 1 . 2 .]" 1
551 1 37 ARG QG 1 41 GLU QG 3.850 . 6.000 3.345 1.751 4.552 . 0 0 "[ . 1 . 2 .]" 1
552 1 38 ILE H 1 38 ILE HA 2.650 . 3.590 2.873 2.855 2.885 . 0 0 "[ . 1 . 2 .]" 1
553 1 38 ILE H 1 38 ILE HB 2.540 . 3.370 2.556 2.257 2.757 . 0 0 "[ . 1 . 2 .]" 1
554 1 38 ILE H 1 38 ILE MD 3.850 . 6.000 3.798 3.145 4.426 . 0 0 "[ . 1 . 2 .]" 1
555 1 38 ILE H 1 38 ILE QG 3.160 . 4.620 3.023 1.996 4.072 0.004 4 0 "[ . 1 . 2 .]" 1
556 1 38 ILE H 1 38 ILE MG 3.850 . 6.000 3.047 1.928 3.805 . 0 0 "[ . 1 . 2 .]" 1
557 1 38 ILE H 1 39 LEU H 3.350 . 4.970 2.595 2.524 2.641 . 0 0 "[ . 1 . 2 .]" 1
558 1 38 ILE H 1 40 LYS H 4.200 2.700 5.700 3.644 3.423 3.963 . 0 0 "[ . 1 . 2 .]" 1
559 1 38 ILE H 1 41 GLU QB 4.200 2.700 5.700 5.218 4.854 5.772 0.072 24 0 "[ . 1 . 2 .]" 1
560 1 38 ILE HA 1 38 ILE HB 2.900 . 4.100 2.788 2.428 3.026 . 0 0 "[ . 1 . 2 .]" 1
561 1 38 ILE HA 1 38 ILE MD 3.470 . 5.240 3.309 2.343 3.915 . 0 0 "[ . 1 . 2 .]" 1
562 1 38 ILE HA 1 38 ILE QG 2.730 . 3.750 2.438 2.226 2.709 . 0 0 "[ . 1 . 2 .]" 1
563 1 38 ILE HA 1 38 ILE MG 3.020 . 4.340 2.728 2.240 3.198 . 0 0 "[ . 1 . 2 .]" 1
564 1 38 ILE HA 1 39 LEU H 2.180 2.180 4.580 3.556 3.523 3.568 . 0 0 "[ . 1 . 2 .]" 1
565 1 38 ILE HA 1 39 LEU HA 3.850 . 6.000 4.721 4.639 4.808 . 0 0 "[ . 1 . 2 .]" 1
566 1 38 ILE HA 1 40 LYS H 2.120 2.120 5.380 3.960 3.798 4.450 . 0 0 "[ . 1 . 2 .]" 1
567 1 38 ILE HA 1 41 GLU H 1.860 . 4.840 3.433 3.224 3.758 . 0 0 "[ . 1 . 2 .]" 1
568 1 38 ILE HA 1 41 GLU HA 3.850 . 6.000 5.608 5.354 6.022 0.022 1 0 "[ . 1 . 2 .]" 1
569 1 38 ILE HA 1 41 GLU QB 3.850 . 6.000 3.995 2.955 5.069 . 0 0 "[ . 1 . 2 .]" 1
570 1 38 ILE HA 1 41 GLU QG 3.450 . 5.200 2.725 1.974 4.650 . 0 0 "[ . 1 . 2 .]" 1
571 1 38 ILE HA 1 42 THR H 2.440 2.440 4.460 3.912 3.114 4.492 0.032 17 0 "[ . 1 . 2 .]" 1
572 1 38 ILE HB 1 39 LEU H 2.850 . 4.000 3.008 2.343 3.835 . 0 0 "[ . 1 . 2 .]" 1
573 1 38 ILE HB 1 39 LEU MD2 3.850 . 6.000 5.346 2.711 6.027 0.027 13 0 "[ . 1 . 2 .]" 1
574 1 38 ILE QG 1 38 ILE MG 3.020 . 4.330 2.153 1.953 2.462 . 0 0 "[ . 1 . 2 .]" 1
575 1 38 ILE QG 1 39 LEU H 2.500 2.500 6.000 3.814 3.418 4.267 . 0 0 "[ . 1 . 2 .]" 1
576 1 38 ILE QG 1 39 LEU HA 3.850 . 6.000 4.866 3.497 5.804 . 0 0 "[ . 1 . 2 .]" 1
577 1 38 ILE QG 1 40 LYS H 5.430 2.800 8.050 5.032 4.605 5.572 . 0 0 "[ . 1 . 2 .]" 1
578 1 38 ILE QG 1 40 LYS QD 3.850 . 6.000 6.094 6.032 6.148 0.148 12 0 "[ . 1 . 2 .]" 1
579 1 38 ILE QG 1 41 GLU H 3.860 . 5.730 5.065 4.652 5.502 . 0 0 "[ . 1 . 2 .]" 1
580 1 38 ILE QG 1 41 GLU QG 3.850 . 6.000 4.130 3.426 5.906 . 0 0 "[ . 1 . 2 .]" 1
581 1 38 ILE MG 1 41 GLU QG 3.850 . 6.000 4.534 3.533 5.954 . 0 0 "[ . 1 . 2 .]" 1
582 1 39 LEU H 1 39 LEU QB 3.280 . 4.860 2.154 2.041 2.276 . 0 0 "[ . 1 . 2 .]" 1
583 1 39 LEU H 1 39 LEU HG 3.160 . 4.620 4.064 2.873 4.570 . 0 0 "[ . 1 . 2 .]" 1
584 1 39 LEU H 1 40 LYS H 3.150 . 4.590 2.572 2.410 2.848 . 0 0 "[ . 1 . 2 .]" 1
585 1 39 LEU H 1 40 LYS HA 3.790 . 5.880 5.181 4.990 5.409 . 0 0 "[ . 1 . 2 .]" 1
586 1 39 LEU H 1 40 LYS QB 3.850 . 6.000 4.506 4.171 5.189 . 0 0 "[ . 1 . 2 .]" 1
587 1 39 LEU H 1 40 LYS QG 3.850 . 6.000 5.165 4.104 5.610 . 0 0 "[ . 1 . 2 .]" 1
588 1 39 LEU H 1 41 GLU H 3.120 . 4.630 4.171 3.667 4.356 . 0 0 "[ . 1 . 2 .]" 1
589 1 39 LEU H 1 42 THR H 4.510 2.330 6.690 4.780 4.536 5.738 . 0 0 "[ . 1 . 2 .]" 1
590 1 39 LEU H 1 42 THR MG 3.850 . 6.000 5.728 5.027 6.027 0.027 5 0 "[ . 1 . 2 .]" 1
591 1 39 LEU H 1 43 GLU H 4.200 2.700 5.700 5.640 4.683 5.735 0.035 10 0 "[ . 1 . 2 .]" 1
592 1 39 LEU HA 1 39 LEU MD2 3.850 . 6.000 3.004 1.949 3.935 . 0 0 "[ . 1 . 2 .]" 1
593 1 39 LEU HA 1 39 LEU HG 3.700 . 5.700 2.914 2.094 3.656 . 0 0 "[ . 1 . 2 .]" 1
594 1 39 LEU HA 1 40 LYS H 1.700 . 5.300 3.427 3.332 3.549 . 0 0 "[ . 1 . 2 .]" 1
595 1 39 LEU HA 1 41 GLU H 4.200 2.700 5.700 4.626 4.249 5.028 . 0 0 "[ . 1 . 2 .]" 1
596 1 39 LEU HA 1 42 THR H 4.200 2.700 5.700 3.857 3.479 4.937 . 0 0 "[ . 1 . 2 .]" 1
597 1 39 LEU HA 1 43 GLU H 3.730 . 5.760 3.911 3.345 4.270 . 0 0 "[ . 1 . 2 .]" 1
598 1 39 LEU QB 1 40 LYS H 3.640 . 5.580 3.062 2.827 3.346 . 0 0 "[ . 1 . 2 .]" 1
599 1 39 LEU QB 1 42 THR H 4.280 2.210 6.350 5.147 4.986 6.064 . 0 0 "[ . 1 . 2 .]" 1
600 1 39 LEU QB 1 42 THR MG 3.850 . 6.000 5.895 5.710 6.036 0.036 6 0 "[ . 1 . 2 .]" 1
601 1 39 LEU QB 1 43 GLU QG 3.850 . 6.000 5.377 3.576 6.019 0.019 11 0 "[ . 1 . 2 .]" 1
602 1 39 LEU MD2 1 40 LYS QG 3.850 . 6.000 5.340 2.896 6.024 0.024 7 0 "[ . 1 . 2 .]" 1
603 1 39 LEU HG 1 40 LYS H 3.850 . 6.000 5.095 4.026 5.569 . 0 0 "[ . 1 . 2 .]" 1
604 1 40 LYS H 1 40 LYS HA 2.990 . 4.280 2.927 2.914 2.940 . 0 0 "[ . 1 . 2 .]" 1
605 1 40 LYS H 1 40 LYS QB 2.990 . 4.280 2.350 2.246 2.657 . 0 0 "[ . 1 . 2 .]" 1
606 1 40 LYS H 1 40 LYS QD 3.850 . 6.000 2.390 1.829 4.029 . 0 0 "[ . 1 . 2 .]" 1
607 1 40 LYS H 1 40 LYS QE 4.850 2.500 7.200 3.098 2.473 3.891 0.027 5 0 "[ . 1 . 2 .]" 1
608 1 40 LYS H 1 40 LYS QG 3.790 . 5.620 3.405 2.064 3.653 . 0 0 "[ . 1 . 2 .]" 1
609 1 40 LYS H 1 41 GLU H 1.700 . 6.000 2.218 2.106 2.315 . 0 0 "[ . 1 . 2 .]" 1
610 1 40 LYS H 1 41 GLU HA 1.800 . 5.180 4.928 4.867 5.006 . 0 0 "[ . 1 . 2 .]" 1
611 1 40 LYS H 1 41 GLU QB 2.240 2.240 5.800 4.438 4.292 4.739 . 0 0 "[ . 1 . 2 .]" 1
612 1 40 LYS H 1 41 GLU QG 2.250 2.250 6.000 3.942 3.192 4.313 . 0 0 "[ . 1 . 2 .]" 1
613 1 40 LYS H 1 42 THR H 3.430 . 5.100 3.455 3.291 4.763 . 0 0 "[ . 1 . 2 .]" 1
614 1 40 LYS H 1 42 THR MG 4.820 2.480 7.150 6.001 5.780 6.320 . 0 0 "[ . 1 . 2 .]" 1
615 1 40 LYS H 1 43 GLU H 5.040 2.600 7.490 4.336 4.183 5.140 . 0 0 "[ . 1 . 2 .]" 1
616 1 40 LYS HA 1 40 LYS QD 3.670 . 5.630 2.947 2.145 4.725 . 0 0 "[ . 1 . 2 .]" 1
617 1 40 LYS HA 1 40 LYS QE 3.850 . 6.000 4.081 2.346 4.771 . 0 0 "[ . 1 . 2 .]" 1
618 1 40 LYS HA 1 40 LYS QG 3.420 . 5.140 2.601 2.182 3.326 . 0 0 "[ . 1 . 2 .]" 1
619 1 40 LYS HA 1 41 GLU H 4.200 2.700 5.700 3.510 3.395 3.546 . 0 0 "[ . 1 . 2 .]" 1
620 1 40 LYS HA 1 42 THR H 1.700 . 6.000 3.919 3.756 4.517 . 0 0 "[ . 1 . 2 .]" 1
621 1 40 LYS HA 1 44 PHE H 4.200 2.700 5.700 5.637 4.295 5.780 0.080 5 0 "[ . 1 . 2 .]" 1
622 1 40 LYS QB 1 40 LYS QE 3.850 . 6.000 2.775 1.759 3.505 . 0 0 "[ . 1 . 2 .]" 1
623 1 40 LYS QB 1 41 GLU H 3.430 . 5.100 2.803 2.591 3.622 . 0 0 "[ . 1 . 2 .]" 1
624 1 40 LYS QB 1 41 GLU HA 3.850 . 6.000 4.062 3.899 4.757 . 0 0 "[ . 1 . 2 .]" 1
625 1 40 LYS QB 1 41 GLU QB 3.850 . 6.000 3.909 3.426 5.263 . 0 0 "[ . 1 . 2 .]" 1
626 1 40 LYS QB 1 41 GLU QG 3.790 . 5.880 4.066 2.416 5.410 . 0 0 "[ . 1 . 2 .]" 1
627 1 40 LYS QD 1 41 GLU QB 3.850 . 6.000 5.518 4.036 6.085 0.085 6 0 "[ . 1 . 2 .]" 1
628 1 40 LYS QD 1 43 GLU QG 3.850 . 6.000 5.165 4.109 6.014 0.014 9 0 "[ . 1 . 2 .]" 1
629 1 40 LYS QE 1 41 GLU QB 3.850 . 6.000 6.006 5.170 6.144 0.144 3 0 "[ . 1 . 2 .]" 1
630 1 40 LYS QE 1 41 GLU QG 3.850 . 6.000 5.696 4.143 6.110 0.110 18 0 "[ . 1 . 2 .]" 1
631 1 40 LYS QG 1 41 GLU H 4.130 2.130 6.130 4.247 2.116 4.689 0.014 22 0 "[ . 1 . 2 .]" 1
632 1 40 LYS QG 1 41 GLU HA 3.850 . 6.000 5.501 3.435 5.963 . 0 0 "[ . 1 . 2 .]" 1
633 1 40 LYS QG 1 41 GLU QB 3.850 . 6.000 5.304 2.736 6.104 0.104 5 0 "[ . 1 . 2 .]" 1
634 1 40 LYS QG 1 41 GLU QG 3.850 . 6.000 5.397 1.740 6.078 0.078 20 0 "[ . 1 . 2 .]" 1
635 1 41 GLU H 1 41 GLU QB 3.190 . 4.340 2.549 2.445 3.030 . 0 0 "[ . 1 . 2 .]" 1
636 1 41 GLU H 1 41 GLU QG 3.470 . 4.770 2.411 2.241 2.680 . 0 0 "[ . 1 . 2 .]" 1
637 1 41 GLU H 1 42 THR H 3.300 . 4.880 2.356 2.110 2.966 . 0 0 "[ . 1 . 2 .]" 1
638 1 41 GLU H 1 42 THR HA 3.850 . 6.000 4.964 4.790 5.051 . 0 0 "[ . 1 . 2 .]" 1
639 1 41 GLU H 1 42 THR HB 2.990 . 4.280 4.301 3.568 4.398 0.118 4 0 "[ . 1 . 2 .]" 1
640 1 41 GLU H 1 42 THR MG 2.440 2.440 6.000 5.469 4.847 5.574 . 0 0 "[ . 1 . 2 .]" 1
641 1 41 GLU H 1 43 GLU H 4.300 2.310 6.300 3.812 3.551 4.368 . 0 0 "[ . 1 . 2 .]" 1
642 1 41 GLU H 1 43 GLU QG 3.540 . 5.250 4.493 3.900 5.242 . 0 0 "[ . 1 . 2 .]" 1
643 1 41 GLU HA 1 41 GLU QG 3.480 . 5.250 3.239 2.626 3.425 . 0 0 "[ . 1 . 2 .]" 1
644 1 41 GLU HA 1 42 THR H 1.890 . 5.450 3.222 2.588 3.377 . 0 0 "[ . 1 . 2 .]" 1
645 1 41 GLU HA 1 42 THR HA 3.850 . 6.000 4.434 4.300 4.502 . 0 0 "[ . 1 . 2 .]" 1
646 1 41 GLU HA 1 42 THR MG 3.850 . 6.000 5.914 5.619 6.038 0.038 11 0 "[ . 1 . 2 .]" 1
647 1 41 GLU HA 1 43 GLU H 4.200 2.700 5.700 4.140 3.827 5.682 . 0 0 "[ . 1 . 2 .]" 1
648 1 41 GLU HA 1 45 LYS H 3.850 . 6.000 6.018 5.354 6.105 0.105 13 0 "[ . 1 . 2 .]" 1
649 1 41 GLU HA 1 45 LYS QD 3.850 . 6.000 5.739 4.258 6.011 0.011 20 0 "[ . 1 . 2 .]" 1
650 1 41 GLU QB 1 42 THR H 1.840 . 5.300 3.742 3.249 4.023 . 0 0 "[ . 1 . 2 .]" 1
651 1 41 GLU QB 1 42 THR HA 3.850 . 6.000 4.729 4.260 4.876 . 0 0 "[ . 1 . 2 .]" 1
652 1 41 GLU QB 1 42 THR HB 3.850 . 6.000 5.073 4.182 5.385 . 0 0 "[ . 1 . 2 .]" 1
653 1 41 GLU QB 1 42 THR MG 3.850 . 6.000 5.500 4.711 5.784 . 0 0 "[ . 1 . 2 .]" 1
654 1 41 GLU QB 1 43 GLU H 1.700 . 6.000 5.110 4.800 6.108 0.108 24 0 "[ . 1 . 2 .]" 1
655 1 41 GLU QB 1 45 LYS H 6.510 3.360 9.660 6.812 6.471 6.953 . 0 0 "[ . 1 . 2 .]" 1
656 1 41 GLU QG 1 42 THR H 2.280 2.280 6.000 3.196 2.407 4.433 . 0 0 "[ . 1 . 2 .]" 1
657 1 41 GLU QG 1 42 THR HA 3.850 . 6.000 4.529 3.855 5.994 . 0 0 "[ . 1 . 2 .]" 1
658 1 41 GLU QG 1 42 THR MG 3.850 . 6.000 4.832 4.265 6.195 0.195 6 0 "[ . 1 . 2 .]" 1
659 1 41 GLU QG 1 43 GLU QG 3.850 . 6.000 5.532 5.134 6.068 0.068 24 0 "[ . 1 . 2 .]" 1
660 1 41 GLU QG 1 45 LYS QE 3.850 . 6.000 5.693 3.659 6.034 0.034 23 0 "[ . 1 . 2 .]" 1
661 1 41 GLU QG 1 45 LYS QG 3.850 . 6.000 5.126 4.188 6.081 0.081 24 0 "[ . 1 . 2 .]" 1
662 1 42 THR H 1 42 THR HB 2.380 . 3.070 2.740 2.534 3.095 0.025 17 0 "[ . 1 . 2 .]" 1
663 1 42 THR H 1 42 THR MG 3.800 . 5.170 3.871 3.674 3.961 . 0 0 "[ . 1 . 2 .]" 1
664 1 42 THR H 1 43 GLU H 3.310 . 4.780 1.959 1.821 2.881 0.019 12 0 "[ . 1 . 2 .]" 1
665 1 42 THR H 1 43 GLU HA 5.060 2.610 7.520 4.173 4.065 4.874 . 0 0 "[ . 1 . 2 .]" 1
666 1 42 THR H 1 43 GLU QB 3.850 . 6.000 4.190 3.803 4.686 . 0 0 "[ . 1 . 2 .]" 1
667 1 42 THR H 1 43 GLU QG 2.330 2.330 6.000 3.393 3.069 4.352 . 0 0 "[ . 1 . 2 .]" 1
668 1 42 THR H 1 44 PHE H 3.260 . 4.840 4.660 2.735 4.903 0.063 11 0 "[ . 1 . 2 .]" 1
669 1 42 THR H 1 44 PHE QB 5.380 2.780 7.990 6.251 2.917 7.122 . 0 0 "[ . 1 . 2 .]" 1
670 1 42 THR H 1 45 LYS H 4.200 2.700 5.700 4.803 3.378 5.050 . 0 0 "[ . 1 . 2 .]" 1
671 1 42 THR H 1 45 LYS QE 3.850 . 6.000 5.045 2.700 5.585 . 0 0 "[ . 1 . 2 .]" 1
672 1 42 THR HA 1 43 GLU H 4.200 2.700 5.700 3.210 3.119 3.534 . 0 0 "[ . 1 . 2 .]" 1
673 1 42 THR HA 1 43 GLU HA 3.850 . 6.000 4.912 4.723 4.974 . 0 0 "[ . 1 . 2 .]" 1
674 1 42 THR HA 1 43 GLU QB 3.850 . 6.000 5.358 5.067 5.402 . 0 0 "[ . 1 . 2 .]" 1
675 1 42 THR HA 1 43 GLU QG 3.850 . 6.000 4.200 4.016 5.476 . 0 0 "[ . 1 . 2 .]" 1
676 1 42 THR HA 1 44 PHE H 4.200 2.700 5.700 4.258 4.028 4.723 . 0 0 "[ . 1 . 2 .]" 1
677 1 42 THR HA 1 45 LYS H 4.200 2.700 5.700 3.026 2.834 3.989 . 0 0 "[ . 1 . 2 .]" 1
678 1 42 THR HA 1 46 LYS H 3.850 . 6.000 3.492 3.209 4.869 . 0 0 "[ . 1 . 2 .]" 1
679 1 42 THR HB 1 43 GLU HA 3.220 . 4.740 4.635 4.426 4.792 0.052 17 0 "[ . 1 . 2 .]" 1
680 1 42 THR HB 1 43 GLU QG 3.850 . 6.000 5.242 4.490 5.908 . 0 0 "[ . 1 . 2 .]" 1
681 1 42 THR MG 1 43 GLU H 2.950 . 4.370 3.955 1.869 4.276 . 0 0 "[ . 1 . 2 .]" 1
682 1 42 THR MG 1 43 GLU HA 3.850 . 6.000 4.235 2.710 4.728 . 0 0 "[ . 1 . 2 .]" 1
683 1 42 THR MG 1 43 GLU QB 3.850 . 6.000 5.172 2.622 5.642 . 0 0 "[ . 1 . 2 .]" 1
684 1 42 THR MG 1 43 GLU QG 3.850 . 6.000 4.975 3.875 5.294 . 0 0 "[ . 1 . 2 .]" 1
685 1 42 THR MG 1 44 PHE H 3.310 . 4.910 4.882 4.166 5.000 0.090 5 0 "[ . 1 . 2 .]" 1
686 1 42 THR MG 1 44 PHE HA 3.850 . 6.000 5.641 5.468 6.170 0.170 17 0 "[ . 1 . 2 .]" 1
687 1 42 THR MG 1 44 PHE QB 3.850 . 6.000 5.763 5.353 6.065 0.065 13 0 "[ . 1 . 2 .]" 1
688 1 42 THR MG 1 45 LYS QG 3.850 . 6.000 3.429 3.229 4.287 . 0 0 "[ . 1 . 2 .]" 1
689 1 43 GLU H 1 43 GLU HA 3.000 . 4.450 2.718 2.670 2.780 . 0 0 "[ . 1 . 2 .]" 1
690 1 43 GLU H 1 43 GLU QB 2.790 . 4.140 2.667 2.194 2.861 . 0 0 "[ . 1 . 2 .]" 1
691 1 43 GLU H 1 43 GLU QG 2.730 . 4.050 1.987 1.810 2.826 . 0 0 "[ . 1 . 2 .]" 1
692 1 43 GLU H 1 44 PHE HA 4.200 2.700 5.700 5.520 5.240 5.596 . 0 0 "[ . 1 . 2 .]" 1
693 1 43 GLU H 1 45 LYS H 4.200 2.700 5.700 3.868 3.674 4.242 . 0 0 "[ . 1 . 2 .]" 1
694 1 43 GLU H 1 46 LYS H 5.120 2.640 7.590 4.959 4.717 5.206 . 0 0 "[ . 1 . 2 .]" 1
695 1 43 GLU HA 1 43 GLU QG 3.210 . 4.720 3.293 3.227 3.341 . 0 0 "[ . 1 . 2 .]" 1
696 1 43 GLU HA 1 44 PHE H 3.200 . 4.750 3.570 3.528 3.591 . 0 0 "[ . 1 . 2 .]" 1
697 1 43 GLU HA 1 44 PHE HA 3.850 . 6.000 4.604 4.569 4.854 . 0 0 "[ . 1 . 2 .]" 1
698 1 43 GLU HA 1 45 LYS H 4.420 2.280 6.560 4.562 3.673 4.842 . 0 0 "[ . 1 . 2 .]" 1
699 1 43 GLU HA 1 46 LYS H 2.300 2.300 6.000 4.721 3.080 5.271 . 0 0 "[ . 1 . 2 .]" 1
700 1 43 GLU HA 1 47 ILE H 2.550 2.550 6.000 5.129 3.503 5.785 . 0 0 "[ . 1 . 2 .]" 1
701 1 43 GLU QB 1 44 PHE H 3.320 . 4.920 2.863 2.601 3.290 . 0 0 "[ . 1 . 2 .]" 1
702 1 43 GLU QB 1 44 PHE HA 3.850 . 6.000 4.052 3.889 4.504 . 0 0 "[ . 1 . 2 .]" 1
703 1 43 GLU QB 1 45 LYS H 4.460 2.290 6.630 4.658 4.518 4.871 . 0 0 "[ . 1 . 2 .]" 1
704 1 43 GLU QB 1 45 LYS QE 3.850 . 6.000 5.808 5.471 6.080 0.080 11 0 "[ . 1 . 2 .]" 1
705 1 43 GLU QB 1 45 LYS QG 3.850 . 6.000 5.285 5.068 5.603 . 0 0 "[ . 1 . 2 .]" 1
706 1 43 GLU QG 1 44 PHE H 3.350 . 4.970 1.890 1.745 1.969 . 0 0 "[ . 1 . 2 .]" 1
707 1 43 GLU QG 1 44 PHE HA 3.850 . 6.000 4.156 2.649 4.643 . 0 0 "[ . 1 . 2 .]" 1
708 1 43 GLU QG 1 45 LYS H 4.030 2.080 5.980 3.562 3.460 4.033 . 0 0 "[ . 1 . 2 .]" 1
709 1 43 GLU QG 1 45 LYS HA 3.850 . 6.000 5.952 5.759 6.127 0.127 24 0 "[ . 1 . 2 .]" 1
710 1 43 GLU QG 1 45 LYS QB 3.620 . 5.540 5.094 4.922 5.703 0.163 17 0 "[ . 1 . 2 .]" 1
711 1 43 GLU QG 1 45 LYS QD 3.850 . 6.000 5.147 4.692 6.044 0.044 24 0 "[ . 1 . 2 .]" 1
712 1 44 PHE H 1 44 PHE QB 3.140 . 3.710 2.258 2.063 2.785 . 0 0 "[ . 1 . 2 .]" 1
713 1 44 PHE H 1 45 LYS H 1.700 . 6.000 2.302 2.196 2.814 . 0 0 "[ . 1 . 2 .]" 1
714 1 44 PHE H 1 45 LYS HA 4.200 2.700 5.700 4.865 4.772 5.341 . 0 0 "[ . 1 . 2 .]" 1
715 1 44 PHE H 1 45 LYS QG 3.860 . 5.730 3.456 3.276 4.846 . 0 0 "[ . 1 . 2 .]" 1
716 1 44 PHE H 1 46 LYS H 4.200 2.700 5.700 4.534 4.385 4.742 . 0 0 "[ . 1 . 2 .]" 1
717 1 44 PHE HA 1 45 LYS H 3.820 . 5.670 3.464 3.425 3.512 . 0 0 "[ . 1 . 2 .]" 1
718 1 44 PHE HA 1 45 LYS HA 3.850 . 6.000 4.827 4.599 4.942 . 0 0 "[ . 1 . 2 .]" 1
719 1 44 PHE HA 1 46 LYS H 2.000 . 5.760 4.552 4.288 5.013 . 0 0 "[ . 1 . 2 .]" 1
720 1 44 PHE HA 1 47 ILE H 1.930 . 5.570 3.515 3.275 4.021 . 0 0 "[ . 1 . 2 .]" 1
721 1 44 PHE HA 1 48 LYS H 4.010 2.070 5.950 3.757 3.359 5.019 . 0 0 "[ . 1 . 2 .]" 1
722 1 44 PHE QB 1 45 LYS H 1.760 . 4.540 3.025 2.851 3.650 . 0 0 "[ . 1 . 2 .]" 1
723 1 44 PHE QB 1 46 LYS H 2.070 2.070 5.950 5.165 5.018 5.593 . 0 0 "[ . 1 . 2 .]" 1
724 1 45 LYS H 1 45 LYS QB 3.330 . 4.960 2.611 2.302 2.697 . 0 0 "[ . 1 . 2 .]" 1
725 1 45 LYS H 1 45 LYS QE 4.540 2.340 6.740 3.456 2.963 4.330 . 0 0 "[ . 1 . 2 .]" 1
726 1 45 LYS H 1 45 LYS QG 3.310 . 4.370 1.978 1.892 2.608 . 0 0 "[ . 1 . 2 .]" 1
727 1 45 LYS H 1 46 LYS H 3.300 . 4.870 2.873 2.539 3.195 . 0 0 "[ . 1 . 2 .]" 1
728 1 45 LYS H 1 46 LYS HA 3.850 . 6.000 5.420 5.151 5.644 . 0 0 "[ . 1 . 2 .]" 1
729 1 45 LYS H 1 46 LYS QB 3.850 . 6.000 5.107 4.762 5.339 . 0 0 "[ . 1 . 2 .]" 1
730 1 45 LYS H 1 46 LYS QG 3.810 . 5.920 4.111 3.735 4.385 . 0 0 "[ . 1 . 2 .]" 1
731 1 45 LYS H 1 47 ILE H 3.710 . 5.500 4.235 3.634 4.584 . 0 0 "[ . 1 . 2 .]" 1
732 1 45 LYS H 1 47 ILE QG 2.910 2.910 6.000 4.094 3.691 4.622 . 0 0 "[ . 1 . 2 .]" 1
733 1 45 LYS H 1 48 LYS H 4.200 2.700 5.700 5.004 4.849 5.448 . 0 0 "[ . 1 . 2 .]" 1
734 1 45 LYS HA 1 45 LYS QE 3.850 . 6.000 4.089 3.484 5.416 . 0 0 "[ . 1 . 2 .]" 1
735 1 45 LYS HA 1 45 LYS QG 3.080 . 4.460 3.048 2.350 3.324 . 0 0 "[ . 1 . 2 .]" 1
736 1 45 LYS HA 1 46 LYS H 1.700 . 4.340 3.569 3.548 3.602 . 0 0 "[ . 1 . 2 .]" 1
737 1 45 LYS HA 1 47 ILE H 1.850 . 5.310 4.653 3.941 5.089 . 0 0 "[ . 1 . 2 .]" 1
738 1 45 LYS HA 1 48 LYS H 4.200 2.700 5.700 4.204 3.812 4.534 . 0 0 "[ . 1 . 2 .]" 1
739 1 45 LYS QB 1 46 LYS H 3.770 . 5.840 2.347 2.067 3.299 . 0 0 "[ . 1 . 2 .]" 1
740 1 45 LYS QB 1 46 LYS HA 3.100 . 4.500 3.833 3.764 4.543 0.043 24 0 "[ . 1 . 2 .]" 1
741 1 45 LYS QG 1 46 LYS H 3.850 . 6.000 3.658 1.686 3.969 0.014 24 0 "[ . 1 . 2 .]" 1
742 1 46 LYS H 1 46 LYS HA 2.970 . 4.240 2.822 2.782 2.859 . 0 0 "[ . 1 . 2 .]" 1
743 1 46 LYS H 1 46 LYS QB 3.020 . 4.340 2.527 2.362 2.659 . 0 0 "[ . 1 . 2 .]" 1
744 1 46 LYS H 1 46 LYS QG 3.470 2.070 5.240 2.176 2.059 2.403 0.011 15 0 "[ . 1 . 2 .]" 1
745 1 46 LYS H 1 47 ILE H 3.580 . 5.260 2.721 2.563 2.859 . 0 0 "[ . 1 . 2 .]" 1
746 1 46 LYS H 1 48 LYS H 1.700 . 6.000 4.594 4.423 4.777 . 0 0 "[ . 1 . 2 .]" 1
747 1 46 LYS HA 1 46 LYS QE 3.850 . 6.000 5.173 4.463 5.675 . 0 0 "[ . 1 . 2 .]" 1
748 1 46 LYS HA 1 46 LYS QG 3.440 . 5.170 3.351 3.333 3.385 . 0 0 "[ . 1 . 2 .]" 1
749 1 46 LYS HA 1 47 ILE H 2.080 2.080 4.820 3.545 3.440 3.583 . 0 0 "[ . 1 . 2 .]" 1
750 1 46 LYS HA 1 47 ILE QG 3.850 . 6.000 5.070 4.734 5.335 . 0 0 "[ . 1 . 2 .]" 1
751 1 46 LYS HA 1 48 LYS H 4.200 2.700 5.700 4.859 4.278 5.080 . 0 0 "[ . 1 . 2 .]" 1
752 1 46 LYS HA 1 49 VAL H 4.200 2.700 5.700 3.706 3.311 4.092 . 0 0 "[ . 1 . 2 .]" 1
753 1 46 LYS QB 1 46 LYS QD 3.320 . 4.940 2.053 1.910 2.265 . 0 0 "[ . 1 . 2 .]" 1
754 1 46 LYS QB 1 46 LYS QE 3.850 . 6.000 3.099 2.204 3.695 . 0 0 "[ . 1 . 2 .]" 1
755 1 46 LYS QB 1 47 ILE H 3.850 . 6.000 3.426 3.230 3.696 . 0 0 "[ . 1 . 2 .]" 1
756 1 46 LYS QB 1 47 ILE QG 3.850 . 6.000 4.905 4.424 5.269 . 0 0 "[ . 1 . 2 .]" 1
757 1 46 LYS QG 1 47 ILE H 1.700 . 6.000 1.992 1.842 2.464 . 0 0 "[ . 1 . 2 .]" 1
758 1 46 LYS QG 1 47 ILE HB 3.850 . 6.000 4.685 4.122 5.087 . 0 0 "[ . 1 . 2 .]" 1
759 1 47 ILE H 1 47 ILE HA 2.850 . 4.000 2.811 2.736 2.863 . 0 0 "[ . 1 . 2 .]" 1
760 1 47 ILE H 1 47 ILE HB 2.840 . 3.980 3.560 2.623 3.658 . 0 0 "[ . 1 . 2 .]" 1
761 1 47 ILE H 1 47 ILE MD 3.850 . 6.000 3.549 2.889 3.662 . 0 0 "[ . 1 . 2 .]" 1
762 1 47 ILE H 1 47 ILE QG 3.310 . 4.760 2.033 1.923 2.328 . 0 0 "[ . 1 . 2 .]" 1
763 1 47 ILE H 1 47 ILE MG 3.050 . 4.400 2.431 1.968 3.767 . 0 0 "[ . 1 . 2 .]" 1
764 1 47 ILE H 1 48 LYS H 3.360 . 4.790 2.843 2.701 3.071 . 0 0 "[ . 1 . 2 .]" 1
765 1 47 ILE H 1 48 LYS QB 1.700 . 6.000 4.940 4.486 5.243 . 0 0 "[ . 1 . 2 .]" 1
766 1 47 ILE H 1 48 LYS QG 1.700 . 6.000 4.128 3.767 4.898 . 0 0 "[ . 1 . 2 .]" 1
767 1 47 ILE H 1 49 VAL H 1.700 . 4.010 4.022 3.907 4.080 0.070 14 0 "[ . 1 . 2 .]" 1
768 1 47 ILE H 1 49 VAL HB 2.230 2.230 6.000 5.196 5.047 5.317 . 0 0 "[ . 1 . 2 .]" 1
769 1 47 ILE H 1 49 VAL QG 3.650 . 5.420 4.719 4.256 5.033 . 0 0 "[ . 1 . 2 .]" 1
770 1 47 ILE HA 1 47 ILE HB 2.890 . 4.080 2.505 2.363 3.021 . 0 0 "[ . 1 . 2 .]" 1
771 1 47 ILE HA 1 47 ILE MD 3.850 . 6.000 3.750 2.056 4.186 . 0 0 "[ . 1 . 2 .]" 1
772 1 47 ILE HA 1 47 ILE QG 3.140 . 4.580 3.312 2.929 3.383 . 0 0 "[ . 1 . 2 .]" 1
773 1 47 ILE HA 1 47 ILE MG 2.940 . 4.180 2.306 2.081 2.452 . 0 0 "[ . 1 . 2 .]" 1
774 1 47 ILE HA 1 48 LYS H 1.860 . 4.050 3.584 3.557 3.603 . 0 0 "[ . 1 . 2 .]" 1
775 1 47 ILE HA 1 48 LYS QG 3.850 . 6.000 5.146 4.977 5.477 . 0 0 "[ . 1 . 2 .]" 1
776 1 47 ILE HA 1 49 VAL H 1.700 . 5.880 4.135 3.797 4.351 . 0 0 "[ . 1 . 2 .]" 1
777 1 47 ILE HA 1 49 VAL HB 3.450 . 5.200 5.191 4.810 5.233 0.033 11 0 "[ . 1 . 2 .]" 1
778 1 47 ILE HA 1 50 LEU H 1.700 . 5.000 3.184 3.029 3.501 . 0 0 "[ . 1 . 2 .]" 1
779 1 47 ILE HB 1 48 LYS H 2.070 2.070 4.920 3.375 2.251 3.674 . 0 0 "[ . 1 . 2 .]" 1
780 1 47 ILE HB 1 48 LYS QB 3.850 . 6.000 4.974 4.126 5.410 . 0 0 "[ . 1 . 2 .]" 1
781 1 47 ILE HB 1 48 LYS QG 3.850 . 6.000 5.232 2.995 5.735 . 0 0 "[ . 1 . 2 .]" 1
782 1 47 ILE MD 1 48 LYS QG 3.850 . 6.000 3.865 1.803 5.642 . 0 0 "[ . 1 . 2 .]" 1
783 1 47 ILE MD 1 49 VAL H 4.200 2.700 5.700 4.813 4.133 5.732 0.032 5 0 "[ . 1 . 2 .]" 1
784 1 47 ILE QG 1 48 LYS H 3.850 . 6.000 2.042 1.815 3.816 . 0 0 "[ . 1 . 2 .]" 1
785 1 47 ILE QG 1 48 LYS HA 3.850 . 6.000 3.972 2.976 5.706 . 0 0 "[ . 1 . 2 .]" 1
786 1 47 ILE QG 1 48 LYS QE 3.850 . 6.000 5.450 4.614 6.006 0.006 9 0 "[ . 1 . 2 .]" 1
787 1 47 ILE QG 1 49 VAL H 2.600 2.600 6.000 4.288 4.056 5.495 . 0 0 "[ . 1 . 2 .]" 1
788 1 47 ILE MG 1 48 LYS H 3.580 . 5.460 3.826 3.264 3.954 . 0 0 "[ . 1 . 2 .]" 1
789 1 47 ILE MG 1 48 LYS HA 3.850 . 6.000 5.226 3.402 5.399 . 0 0 "[ . 1 . 2 .]" 1
790 1 47 ILE MG 1 49 VAL H 3.480 . 5.250 5.206 4.834 5.292 0.042 10 0 "[ . 1 . 2 .]" 1
791 1 48 LYS H 1 48 LYS QB 3.580 . 5.460 2.431 2.332 2.651 . 0 0 "[ . 1 . 2 .]" 1
792 1 48 LYS H 1 48 LYS QE 4.710 2.430 6.990 4.555 2.793 5.000 . 0 0 "[ . 1 . 2 .]" 1
793 1 48 LYS H 1 48 LYS QG 3.180 . 4.660 2.316 1.907 2.501 . 0 0 "[ . 1 . 2 .]" 1
794 1 48 LYS H 1 49 VAL H 3.520 2.030 5.010 2.744 2.627 2.845 . 0 0 "[ . 1 . 2 .]" 1
795 1 48 LYS H 1 49 VAL HA 3.850 . 6.000 5.350 5.228 5.433 . 0 0 "[ . 1 . 2 .]" 1
796 1 48 LYS H 1 49 VAL HB 2.250 2.250 6.000 5.070 4.919 5.191 . 0 0 "[ . 1 . 2 .]" 1
797 1 48 LYS H 1 49 VAL QG 2.550 2.550 6.000 4.050 3.738 4.406 . 0 0 "[ . 1 . 2 .]" 1
798 1 48 LYS H 1 50 LEU H 3.350 . 4.970 4.162 4.066 4.277 . 0 0 "[ . 1 . 2 .]" 1
799 1 48 LYS HA 1 48 LYS QD 3.330 . 4.960 4.048 3.060 4.441 . 0 0 "[ . 1 . 2 .]" 1
800 1 48 LYS HA 1 48 LYS QE 3.850 . 6.000 4.769 1.881 5.698 . 0 0 "[ . 1 . 2 .]" 1
801 1 48 LYS HA 1 48 LYS QG 3.350 . 5.000 3.260 2.257 3.410 . 0 0 "[ . 1 . 2 .]" 1
802 1 48 LYS HA 1 49 VAL H 1.700 . 4.980 3.498 3.413 3.523 . 0 0 "[ . 1 . 2 .]" 1
803 1 48 LYS HA 1 49 VAL QG 3.500 . 5.290 4.609 4.539 4.751 . 0 0 "[ . 1 . 2 .]" 1
804 1 48 LYS HA 1 50 LEU H 3.120 . 4.540 4.420 4.266 4.562 0.022 24 0 "[ . 1 . 2 .]" 1
805 1 48 LYS HA 1 51 GLY H 4.200 2.700 5.700 3.607 3.403 3.761 . 0 0 "[ . 1 . 2 .]" 1
806 1 48 LYS QB 1 48 LYS QE 3.850 . 6.000 2.967 1.939 3.712 . 0 0 "[ . 1 . 2 .]" 1
807 1 48 LYS QB 1 49 VAL H 1.710 . 3.790 3.381 2.554 3.665 . 0 0 "[ . 1 . 2 .]" 1
808 1 48 LYS QB 1 49 VAL HA 3.850 . 6.000 4.358 3.863 4.519 . 0 0 "[ . 1 . 2 .]" 1
809 1 48 LYS QB 1 49 VAL QG 3.850 . 6.000 3.658 2.888 3.903 . 0 0 "[ . 1 . 2 .]" 1
810 1 48 LYS QE 1 49 VAL H 2.520 2.520 6.000 4.380 3.665 5.458 . 0 0 "[ . 1 . 2 .]" 1
811 1 48 LYS QE 1 49 VAL HA 3.850 . 6.000 4.960 3.727 6.011 0.011 14 0 "[ . 1 . 2 .]" 1
812 1 48 LYS QE 1 49 VAL QG 3.850 . 6.000 3.219 1.934 5.316 . 0 0 "[ . 1 . 2 .]" 1
813 1 48 LYS QG 1 49 VAL H 1.910 . 5.490 2.331 1.905 4.182 0.005 3 0 "[ . 1 . 2 .]" 1
814 1 48 LYS QG 1 49 VAL HA 3.850 . 6.000 3.835 3.174 5.806 . 0 0 "[ . 1 . 2 .]" 1
815 1 48 LYS QG 1 49 VAL QG 3.850 . 6.000 2.359 1.868 4.647 . 0 0 "[ . 1 . 2 .]" 1
816 1 48 LYS QG 1 50 LEU H 2.650 2.650 6.000 4.473 4.210 5.657 . 0 0 "[ . 1 . 2 .]" 1
817 1 48 LYS QG 1 50 LEU QD 3.770 . 5.840 5.529 5.251 5.856 0.016 14 0 "[ . 1 . 2 .]" 1
818 1 49 VAL H 1 49 VAL HB 2.840 . 3.980 2.547 2.380 2.636 . 0 0 "[ . 1 . 2 .]" 1
819 1 49 VAL H 1 49 VAL QG 3.250 . 4.800 2.162 1.970 2.581 . 0 0 "[ . 1 . 2 .]" 1
820 1 49 VAL H 1 50 LEU H 2.930 . 4.200 2.472 2.224 2.652 . 0 0 "[ . 1 . 2 .]" 1
821 1 49 VAL H 1 50 LEU HA 1.700 . 6.000 5.121 4.927 5.260 . 0 0 "[ . 1 . 2 .]" 1
822 1 49 VAL H 1 50 LEU QB 3.850 . 6.000 4.506 4.364 4.783 . 0 0 "[ . 1 . 2 .]" 1
823 1 49 VAL H 1 50 LEU QD 3.850 . 6.000 4.494 4.214 4.672 . 0 0 "[ . 1 . 2 .]" 1
824 1 49 VAL H 1 50 LEU MD2 3.850 . 6.000 5.545 4.579 5.731 . 0 0 "[ . 1 . 2 .]" 1
825 1 49 VAL H 1 50 LEU HG 3.850 . 6.000 4.362 3.821 4.522 . 0 0 "[ . 1 . 2 .]" 1
826 1 49 VAL H 1 51 GLY H 3.730 . 5.540 3.876 3.560 4.121 . 0 0 "[ . 1 . 2 .]" 1
827 1 49 VAL H 1 51 GLY QA 3.850 . 6.000 5.610 5.313 5.892 . 0 0 "[ . 1 . 2 .]" 1
828 1 49 VAL H 1 52 SER H 5.090 2.630 7.550 5.391 5.174 5.669 . 0 0 "[ . 1 . 2 .]" 1
829 1 49 VAL H 1 52 SER HA 4.250 2.190 6.300 6.314 6.296 6.356 0.056 8 0 "[ . 1 . 2 .]" 1
830 1 49 VAL H 1 52 SER QB 3.850 . 6.000 5.411 4.776 5.950 . 0 0 "[ . 1 . 2 .]" 1
831 1 49 VAL HA 1 49 VAL HB 2.890 . 4.080 3.020 3.015 3.023 . 0 0 "[ . 1 . 2 .]" 1
832 1 49 VAL HA 1 50 LEU H 1.800 . 4.630 3.517 3.487 3.546 . 0 0 "[ . 1 . 2 .]" 1
833 1 49 VAL HA 1 50 LEU HA 3.850 . 6.000 4.718 4.655 4.839 . 0 0 "[ . 1 . 2 .]" 1
834 1 49 VAL HA 1 50 LEU HG 3.510 . 5.320 5.317 5.115 5.369 0.049 13 0 "[ . 1 . 2 .]" 1
835 1 49 VAL HA 1 51 GLY H 3.850 . 6.000 4.254 3.868 4.408 . 0 0 "[ . 1 . 2 .]" 1
836 1 49 VAL HA 1 52 SER H 3.850 . 6.000 4.040 3.328 4.435 . 0 0 "[ . 1 . 2 .]" 1
837 1 49 VAL HA 1 52 SER HA 3.850 . 6.000 4.625 3.967 4.875 . 0 0 "[ . 1 . 2 .]" 1
838 1 49 VAL HB 1 50 LEU H 1.730 . 4.420 2.751 2.559 2.924 . 0 0 "[ . 1 . 2 .]" 1
839 1 49 VAL HB 1 50 LEU HA 3.850 . 6.000 4.273 4.128 4.494 . 0 0 "[ . 1 . 2 .]" 1
840 1 49 VAL HB 1 50 LEU QB 3.850 . 6.000 4.605 4.504 4.936 . 0 0 "[ . 1 . 2 .]" 1
841 1 49 VAL HB 1 50 LEU QD 3.850 . 6.000 3.851 3.264 4.061 . 0 0 "[ . 1 . 2 .]" 1
842 1 49 VAL HB 1 51 GLY H 2.800 2.800 6.000 4.955 4.811 5.078 . 0 0 "[ . 1 . 2 .]" 1
843 1 49 VAL HB 1 52 SER QB 3.850 . 6.000 5.465 4.760 6.001 0.001 2 0 "[ . 1 . 2 .]" 1
844 1 49 VAL QG 1 50 LEU H 3.850 . 6.000 3.323 3.212 3.410 . 0 0 "[ . 1 . 2 .]" 1
845 1 49 VAL QG 1 50 LEU HA 3.850 . 6.000 3.619 3.398 3.731 . 0 0 "[ . 1 . 2 .]" 1
846 1 49 VAL QG 1 52 SER H 4.200 2.700 5.700 4.460 3.795 4.875 . 0 0 "[ . 1 . 2 .]" 1
847 1 49 VAL QG 1 52 SER QB 3.850 . 6.000 3.560 2.593 4.098 . 0 0 "[ . 1 . 2 .]" 1
848 1 50 LEU H 1 50 LEU QB 3.000 . 4.290 2.395 2.324 2.612 . 0 0 "[ . 1 . 2 .]" 1
849 1 50 LEU H 1 50 LEU HG 3.850 . 6.000 2.478 1.955 2.763 . 0 0 "[ . 1 . 2 .]" 1
850 1 50 LEU H 1 51 GLY H 3.140 . 4.610 2.448 2.303 2.672 . 0 0 "[ . 1 . 2 .]" 1
851 1 50 LEU H 1 52 SER H 3.480 2.140 4.820 4.200 4.069 4.330 . 0 0 "[ . 1 . 2 .]" 1
852 1 50 LEU H 1 52 SER HA 4.900 2.530 7.270 6.148 5.980 6.302 . 0 0 "[ . 1 . 2 .]" 1
853 1 50 LEU HA 1 50 LEU MD2 3.330 . 4.950 2.304 2.060 2.471 . 0 0 "[ . 1 . 2 .]" 1
854 1 50 LEU HA 1 50 LEU HG 3.290 . 4.870 2.835 2.684 3.241 . 0 0 "[ . 1 . 2 .]" 1
855 1 50 LEU HA 1 51 GLY H 1.730 . 4.080 3.487 3.478 3.491 . 0 0 "[ . 1 . 2 .]" 1
856 1 50 LEU HA 1 52 SER H 2.260 2.260 5.630 3.694 3.599 3.888 . 0 0 "[ . 1 . 2 .]" 1
857 1 50 LEU HA 1 53 GLY H 5.020 2.590 7.450 5.474 5.168 5.950 . 0 0 "[ . 1 . 2 .]" 1
858 1 50 LEU QB 1 50 LEU HG 2.560 . 3.420 2.447 2.357 2.487 . 0 0 "[ . 1 . 2 .]" 1
859 1 50 LEU QB 1 51 GLY H 3.590 . 5.480 2.803 2.777 2.818 . 0 0 "[ . 1 . 2 .]" 1
860 1 50 LEU QB 1 52 SER H 3.850 . 6.000 4.525 4.423 4.636 . 0 0 "[ . 1 . 2 .]" 1
861 1 50 LEU QB 1 52 SER QB 3.850 . 6.000 5.643 5.520 5.805 . 0 0 "[ . 1 . 2 .]" 1
862 1 50 LEU QB 1 53 GLY H 4.670 2.410 6.930 6.124 6.015 6.338 . 0 0 "[ . 1 . 2 .]" 1
863 1 50 LEU QD 1 51 GLY QA 3.850 . 6.000 4.707 4.684 4.743 . 0 0 "[ . 1 . 2 .]" 1
864 1 50 LEU MD2 1 51 GLY H 4.200 2.700 5.700 4.858 4.606 4.933 . 0 0 "[ . 1 . 2 .]" 1
865 1 50 LEU MD2 1 52 SER H 3.850 . 6.000 5.478 5.183 5.633 . 0 0 "[ . 1 . 2 .]" 1
866 1 50 LEU MD2 1 52 SER QB 3.850 . 6.000 5.875 5.556 6.030 0.030 14 0 "[ . 1 . 2 .]" 1
867 1 51 GLY H 1 51 GLY QA 2.040 . 2.380 2.287 2.276 2.330 . 0 0 "[ . 1 . 2 .]" 1
868 1 51 GLY H 1 52 SER H 3.040 . 4.120 2.780 2.557 2.954 . 0 0 "[ . 1 . 2 .]" 1
869 1 51 GLY H 1 52 SER HA 2.610 2.610 6.000 4.619 4.514 4.678 . 0 0 "[ . 1 . 2 .]" 1
870 1 51 GLY H 1 52 SER QB 3.850 . 6.000 4.363 4.083 4.613 . 0 0 "[ . 1 . 2 .]" 1
871 1 51 GLY H 1 53 GLY H 4.630 2.460 6.800 5.088 4.980 5.414 . 0 0 "[ . 1 . 2 .]" 1
872 1 51 GLY QA 1 52 SER H 1.700 . 2.800 2.809 2.742 2.843 0.043 8 0 "[ . 1 . 2 .]" 1
873 1 51 GLY QA 1 53 GLY H 3.560 . 5.290 3.483 3.144 4.205 . 0 0 "[ . 1 . 2 .]" 1
874 1 52 SER H 1 52 SER QB 3.500 . 5.300 2.211 2.093 2.294 . 0 0 "[ . 1 . 2 .]" 1
875 1 52 SER H 1 53 GLY H 3.420 . 5.040 2.653 2.550 2.867 . 0 0 "[ . 1 . 2 .]" 1
876 1 52 SER HA 1 53 GLY H 1.700 . 4.880 3.516 3.482 3.577 . 0 0 "[ . 1 . 2 .]" 1
877 1 53 GLY H 1 53 GLY QA 2.050 . 2.400 2.257 2.196 2.391 . 0 0 "[ . 1 . 2 .]" 1
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