NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584991 |
2mvc   |
25260 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mvc
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 856
_Distance_constraint_stats_list.Viol_count 2294
_Distance_constraint_stats_list.Viol_total 2094.294
_Distance_constraint_stats_list.Viol_max 0.206
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_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 1 GLY 0.017 0.012 49 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 2 ILE 5.108 0.206 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 3 VAL 5.847 0.206 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 GLU 1.443 0.079 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 CYS 0.353 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 CYS 2.287 0.093 43 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 THR 1.638 0.079 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 SER 2.087 0.090 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 ILE 3.554 0.069 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 SER 0.017 0.014 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 LEU 1.736 0.058 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 TYR 2.669 0.051 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 GLN 1.669 0.043 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 LEU 0.272 0.041 48 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 GLU 0.306 0.058 36 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ASN 0.451 0.036 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 TYR 2.799 0.063 47 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 CYS 0.259 0.031 8 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 ASN 0.233 0.017 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 1 PHE 0.860 0.038 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 2 VAL 0.098 0.014 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 3 ASN 3.129 0.098 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 4 GLN 0.618 0.022 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 5 HIS 7.335 0.098 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 6 LEU 1.889 0.132 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 7 CYS 0.218 0.015 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 9 SER 0.242 0.051 21 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 10 HIS 1.775 0.132 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 11 LEU 0.373 0.027 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 12 VAL 2.999 0.091 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 13 GLU 0.752 0.025 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 14 ALA 4.094 0.091 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 15 LEU 3.202 0.097 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 16 TYR 0.678 0.037 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 17 LEU 1.602 0.038 31 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 18 VAL 1.944 0.057 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 19 CYS 1.197 0.057 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 20 GLY 0.789 0.027 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 21 GLU 0.020 0.012 26 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 22 ARG 0.758 0.057 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 23 GLY 0.012 0.007 44 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 24 PHE 3.499 0.097 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 25 PHE 0.633 0.026 14 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 26 TYR 0.874 0.068 29 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 27 THR 2.141 0.119 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 28 PRO 1.771 0.119 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 29 LYS 0.731 0.050 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
2 30 THR 0.364 0.046 19 0 "[ . 1 . 2 . 3 . 4 . 5]"
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 1 GLY QA 1 2 ILE H 2.780 . 2.780 2.300 2.171 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 1 GLY QA 1 2 ILE MG 4.060 . 4.060 3.856 3.715 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 1 GLY QA 1 3 VAL H 3.850 . 3.850 3.598 3.341 3.862 0.012 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 2 ILE H 1 2 ILE MD 4.600 . 4.600 4.388 4.313 4.669 0.069 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 2 ILE H 1 2 ILE QG 4.580 . 4.580 3.943 3.904 4.096 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 2 ILE H 1 2 ILE MG 3.050 . 3.050 2.244 2.105 2.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 2 ILE H 1 3 VAL H 3.530 . 3.530 2.849 2.031 3.046 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 2 ILE H 1 3 VAL QG 3.980 . 3.980 3.951 3.549 4.075 0.095 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 2 ILE HA 1 2 ILE MD 4.630 . 4.630 3.742 3.669 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 2 ILE HA 1 19 TYR QE 5.190 . 5.190 5.126 4.587 5.226 0.036 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 2 ILE HB 1 3 VAL H 5.140 . 5.140 4.031 3.978 4.122 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 2 ILE MD 1 2 ILE MG 3.370 . 3.370 2.156 2.112 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 2 ILE MD 1 19 TYR HA 4.790 . 4.790 3.708 2.363 4.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 2 ILE MD 1 19 TYR HB2 5.560 . 5.560 4.749 4.267 5.567 0.007 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 2 ILE MD 1 19 TYR HB3 5.060 . 5.060 4.941 3.880 5.095 0.035 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 2 ILE MD 1 19 TYR QD 3.850 . 3.850 3.099 2.797 3.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 2 ILE MD 1 19 TYR QE 4.210 . 4.210 2.844 2.600 3.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 2 ILE QG 1 3 VAL H 5.360 . 5.360 3.958 3.716 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 2 ILE QG 1 3 VAL HA 4.200 . 4.200 3.976 3.764 4.211 0.011 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 2 ILE QG 1 19 TYR QD 4.430 . 4.430 4.055 3.592 4.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 2 ILE QG 1 19 TYR QE 4.170 . 4.170 2.544 2.158 2.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 2 ILE MG 1 3 VAL H 3.130 . 3.130 2.276 2.145 2.463 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 2 ILE MG 1 3 VAL HA 4.430 . 4.430 3.356 3.108 3.595 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 2 ILE MG 1 3 VAL QG 3.160 . 3.160 2.923 2.208 3.366 0.206 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 2 ILE MG 1 19 TYR QE 3.950 . 3.950 2.742 2.077 3.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 3 VAL H 1 3 VAL HB 2.970 . 2.970 2.614 2.451 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 3 VAL H 1 3 VAL MG1 4.150 . 4.150 2.702 1.764 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 3 VAL H 1 3 VAL QG 3.030 . 3.030 1.985 1.761 2.119 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 3 VAL H 1 3 VAL MG2 4.150 . 4.150 3.089 1.925 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 3 VAL HA 1 3 VAL MG1 3.440 . 3.440 2.910 2.351 3.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 3 VAL HA 1 3 VAL QG 2.990 . 2.990 2.258 2.125 2.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 3 VAL HA 1 3 VAL MG2 3.440 . 3.440 2.404 2.323 2.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 3 VAL HA 1 5 GLN H 5.110 . 5.110 4.335 4.022 4.502 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 3 VAL HA 1 6 CYS H 4.840 . 4.840 3.468 3.206 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 3 VAL HA 1 7 CYS H 5.640 . 5.640 4.267 3.885 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 3 VAL HA 1 19 TYR QE 5.240 . 5.240 3.519 2.224 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 3 VAL HA 2 11 LEU MD2 4.620 . 4.620 2.976 2.365 3.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 3 VAL HB 1 19 TYR QE 6.030 . 6.030 4.198 2.885 5.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 3 VAL QG 1 4 GLU H 3.430 . 3.430 2.708 2.193 3.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 3 VAL QG 1 4 GLU HA 4.060 . 4.060 3.336 3.049 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 3 VAL QG 1 7 CYS H 4.680 . 4.680 3.984 3.674 4.249 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 3 VAL QG 1 7 CYS HA 4.840 . 4.840 4.840 4.397 4.933 0.093 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 3 VAL QG 1 7 CYS QB 4.000 . 4.000 3.218 2.408 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 3 VAL QG 2 11 LEU QB 4.970 . 4.970 3.987 3.209 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 3 VAL QG 2 11 LEU HG 5.410 . 5.410 4.639 4.135 5.420 0.010 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 3 VAL MG1 1 4 GLU H 4.380 . 4.380 2.844 2.215 3.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 3 VAL MG2 1 4 GLU H 4.380 . 4.380 3.750 3.391 4.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 4 GLU H 1 4 GLU QB 3.130 . 3.130 2.285 2.086 2.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 4 GLU H 1 4 GLU QG 4.000 . 4.000 3.488 2.283 4.029 0.029 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 4 GLU H 1 6 CYS H 4.310 . 4.310 4.219 4.002 4.333 0.023 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 4 GLU HA 1 6 CYS H 4.480 . 4.480 4.355 3.865 4.490 0.010 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 4 GLU HA 1 7 CYS H 5.210 . 5.210 3.283 2.946 3.602 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 4 GLU HA 1 8 THR HB 5.570 . 5.570 4.456 3.638 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 4 GLU HA 1 8 THR MG 4.640 . 4.640 4.312 3.822 4.648 0.008 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 4 GLU QB 1 8 THR MG 4.910 . 4.910 3.823 2.936 4.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 4 GLU QG 1 6 CYS H 6.040 . 6.040 5.664 4.746 6.065 0.025 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 4 GLU QG 1 8 THR MG 4.480 . 4.480 3.807 2.463 4.559 0.079 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 5 GLN HA 1 5 GLN HG2 4.120 . 4.120 3.056 2.273 3.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 5 GLN HA 1 5 GLN QG 3.600 . 3.600 2.567 2.080 3.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 5 GLN HA 1 5 GLN HG3 4.120 . 4.120 2.917 2.100 3.829 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 5 GLN QB 1 6 CYS H 3.470 . 3.470 2.614 2.414 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 5 GLN HB2 1 6 CYS H 4.130 . 4.130 3.159 2.535 3.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 5 GLN HB3 1 6 CYS H 4.130 . 4.130 3.216 2.444 3.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 5 GLN QG 1 6 CYS H 4.870 . 4.870 4.108 3.662 4.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 6 CYS CB 1 11 CYS SG 3.100 . 3.100 3.047 3.020 3.098 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 6 CYS H 1 6 CYS HB2 4.050 . 4.050 2.395 2.185 2.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 6 CYS H 1 6 CYS QB 3.530 . 3.530 2.357 2.132 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 6 CYS H 1 6 CYS HB3 4.050 . 4.050 3.569 2.540 3.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 6 CYS H 2 11 LEU MD2 5.490 . 5.490 4.752 3.993 5.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 6 CYS QB 2 11 LEU MD1 3.780 . 3.780 2.346 2.157 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 6 CYS QB 2 11 LEU MD2 4.260 . 4.260 2.874 2.335 3.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 6 CYS HB2 2 11 LEU MD1 4.610 . 4.610 2.918 2.478 3.776 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 6 CYS HB3 2 11 LEU MD1 4.610 . 4.610 2.494 2.223 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 6 CYS SG 1 11 CYS CB 3.100 . 3.100 3.042 3.019 3.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 6 CYS SG 1 11 CYS SG 2.100 . 2.100 2.032 2.027 2.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 7 CYS CB 2 7 CYS SG 3.100 . 3.100 3.041 3.002 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 7 CYS H 1 7 CYS HB2 3.910 . 3.910 2.414 2.126 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 7 CYS H 1 7 CYS HB3 3.910 . 3.910 3.005 2.382 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 7 CYS H 1 8 THR HB 5.040 . 5.040 4.965 4.738 5.046 0.006 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 7 CYS H 1 8 THR MG 4.450 . 4.450 4.180 3.858 4.462 0.012 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 7 CYS H 2 11 LEU MD2 5.460 . 5.460 4.712 4.166 5.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 7 CYS HA 1 8 THR HA 4.920 . 4.920 4.636 4.594 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 7 CYS HA 2 5 HIS HA 4.940 . 4.940 4.643 3.965 4.953 0.013 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 7 CYS HA 2 6 LEU H 4.240 . 4.240 3.177 2.464 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 7 CYS HA 2 11 LEU MD1 5.330 . 5.330 5.188 4.265 5.357 0.027 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 7 CYS HA 2 11 LEU MD2 5.160 . 5.160 4.960 4.275 5.176 0.016 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 7 CYS QB 1 8 THR MG 4.620 . 4.620 4.111 3.851 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 7 CYS SG 2 7 CYS CB 3.100 . 3.100 3.039 3.020 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 7 CYS SG 2 7 CYS SG 2.100 . 2.100 2.032 2.029 2.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 8 THR H 1 8 THR HB 3.750 . 3.750 2.561 2.468 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 8 THR H 1 8 THR MG 4.320 . 4.320 2.314 2.172 2.524 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 8 THR H 1 9 SER H 3.850 . 3.850 2.459 2.299 2.591 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 8 THR HA 1 8 THR MG 3.220 . 3.220 3.231 3.222 3.238 0.018 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 8 THR MG 1 9 SER HA 4.660 . 4.660 3.884 3.747 4.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 8 THR MG 1 9 SER QB 4.330 . 4.330 2.732 2.312 3.310 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 8 THR MG 2 5 HIS HE1 5.820 . 5.820 5.411 4.270 5.824 0.004 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 9 SER HA 1 10 ILE MD 4.580 . 4.580 4.042 3.304 4.597 0.017 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 9 SER HA 2 5 HIS HD2 5.240 . 5.240 5.281 5.262 5.330 0.090 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 9 SER HA 2 5 HIS HE1 3.070 . 3.070 1.995 1.769 2.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 9 SER QB 1 10 ILE H 3.520 . 3.520 2.373 1.935 2.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 9 SER QB 2 5 HIS HE1 4.380 . 4.380 3.804 3.443 4.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 9 SER HB2 1 10 ILE H 4.250 . 4.250 3.085 1.962 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 9 SER HB2 2 5 HIS HE1 5.100 . 5.100 4.350 3.683 5.100 0.000 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 9 SER HB3 1 10 ILE H 4.250 . 4.250 2.852 1.966 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 9 SER HB3 2 5 HIS HE1 5.100 . 5.100 4.357 3.627 4.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 10 ILE H 1 10 ILE HB 3.750 . 3.750 2.547 2.390 3.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 10 ILE H 1 10 ILE MD 4.520 . 4.520 3.437 2.469 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 10 ILE H 1 10 ILE HG12 4.870 . 4.870 2.677 1.751 4.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 10 ILE H 1 10 ILE QG 4.080 . 4.080 2.386 1.746 3.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 10 ILE H 1 10 ILE HG13 4.870 . 4.870 3.476 2.473 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 10 ILE H 1 10 ILE MG 4.330 . 4.330 3.830 3.713 3.916 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 10 ILE H 2 5 HIS HE1 4.450 . 4.450 3.229 2.712 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 10 ILE HA 1 10 ILE MD 3.720 . 3.720 2.540 2.063 3.769 0.049 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 10 ILE HA 1 10 ILE MG 3.450 . 3.450 2.410 2.110 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 10 ILE HB 1 10 ILE MD 3.240 . 3.240 3.063 2.275 3.286 0.046 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 10 ILE MD 2 3 ASN HA 4.900 . 4.900 3.756 3.252 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 10 ILE MD 2 3 ASN QB 4.100 . 4.100 2.220 1.987 3.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 10 ILE MD 2 4 GLN H 4.440 . 4.440 3.119 2.567 4.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 10 ILE MD 2 4 GLN HA 3.730 . 3.730 2.919 2.544 3.745 0.015 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 10 ILE MD 2 5 HIS H 4.160 . 4.160 3.171 2.816 4.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 10 ILE MD 2 5 HIS HA 4.340 . 4.340 3.333 2.678 4.316 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 10 ILE MD 2 5 HIS HD2 4.390 . 4.390 4.180 2.832 4.438 0.048 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 10 ILE MD 2 5 HIS HE1 3.590 . 3.590 2.891 2.177 3.445 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 10 ILE QG 2 5 HIS HD2 5.760 . 5.760 5.405 4.433 5.788 0.028 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 10 ILE QG 2 5 HIS HE1 4.540 . 4.540 2.689 2.316 4.556 0.016 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 10 ILE MG 1 11 CYS H 4.660 . 4.660 2.925 2.195 3.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 10 ILE MG 2 3 ASN H 4.780 . 4.780 4.695 4.470 4.805 0.025 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 10 ILE MG 2 3 ASN HA 3.860 . 3.860 2.701 2.142 3.887 0.027 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 10 ILE MG 2 3 ASN QB 3.170 . 3.170 2.177 1.894 2.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 10 ILE MG 2 3 ASN QD 4.560 . 4.560 3.781 2.800 4.597 0.037 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 10 ILE MG 2 4 GLN H 3.810 . 3.810 2.520 2.098 3.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 10 ILE MG 2 4 GLN HA 4.580 . 4.580 4.158 3.404 4.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 10 ILE MG 2 5 HIS H 4.880 . 4.880 4.787 3.822 4.916 0.036 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 10 ILE MG 2 5 HIS HA 5.420 . 5.420 4.154 2.818 4.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 10 ILE MG 2 5 HIS HE1 5.130 . 5.130 5.095 4.768 5.199 0.069 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 12 SER H 1 12 SER HB2 4.120 . 4.120 3.442 2.512 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 12 SER H 1 12 SER QB 3.510 . 3.510 2.573 2.264 3.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 12 SER H 1 12 SER HB3 4.120 . 4.120 2.771 2.473 3.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 12 SER H 1 13 LEU H 4.920 . 4.920 4.621 4.336 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 12 SER H 1 14 TYR H 5.730 . 5.730 4.799 4.532 5.070 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 12 SER H 1 15 GLN H 4.460 . 4.460 3.624 3.150 4.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 12 SER H 1 15 GLN HB2 4.310 . 4.310 2.895 1.959 3.546 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 12 SER H 1 15 GLN QE 6.270 . 6.270 4.861 3.818 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 12 SER H 1 15 GLN HG2 4.470 . 4.470 3.296 2.331 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 12 SER H 1 15 GLN QG 3.760 . 3.760 2.482 2.039 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 12 SER H 1 15 GLN HG3 4.470 . 4.470 2.670 2.057 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 12 SER H 1 16 LEU H 5.580 . 5.580 4.637 3.466 5.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 12 SER HA 1 13 LEU H 2.780 . 2.780 2.490 2.381 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 12 SER HA 1 13 LEU HA 4.480 . 4.480 4.332 4.289 4.365 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 12 SER HA 1 14 TYR H 4.450 . 4.450 4.307 4.191 4.453 0.003 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 12 SER HA 1 15 GLN H 5.160 . 5.160 4.685 4.579 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 12 SER HA 1 16 LEU H 5.670 . 5.670 5.215 5.072 5.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 12 SER HA 1 16 LEU QD 4.840 . 4.840 4.170 3.752 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 12 SER HA 2 1 PHE QD 5.230 . 5.230 4.050 3.335 4.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 12 SER HA 2 1 PHE QE 4.450 . 4.450 3.251 2.187 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 12 SER QB 1 13 LEU H 3.350 . 3.350 2.459 2.263 3.272 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 12 SER QB 1 14 TYR H 3.570 . 3.570 2.876 2.661 3.061 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 12 SER QB 1 14 TYR QD 3.850 . 3.850 2.534 2.108 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 12 SER QB 1 14 TYR QE 4.650 . 4.650 3.381 2.962 3.941 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 12 SER QB 1 15 GLN H 4.580 . 4.580 3.674 2.812 4.128 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 12 SER QB 2 1 PHE QE 5.650 . 5.650 4.817 3.743 5.664 0.014 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 12 SER HB2 1 13 LEU H 3.920 . 3.920 2.645 2.282 3.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 12 SER HB2 1 14 TYR QD 4.610 . 4.610 2.688 2.225 3.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 12 SER HB3 1 13 LEU H 3.920 . 3.920 3.655 2.407 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 12 SER HB3 1 14 TYR QD 4.610 . 4.610 3.431 2.313 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 13 LEU H 1 13 LEU QB 3.000 . 3.000 2.400 2.350 2.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 13 LEU H 1 13 LEU MD1 4.100 . 4.100 3.969 3.903 4.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 13 LEU H 1 13 LEU QD 3.560 . 3.560 2.843 2.690 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 13 LEU H 1 13 LEU MD2 4.100 . 4.100 2.913 2.736 3.004 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 13 LEU H 1 13 LEU HG 3.720 . 3.720 2.528 2.421 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 13 LEU H 1 14 TYR H 3.330 . 3.330 2.786 2.675 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 13 LEU H 1 14 TYR HA 5.470 . 5.470 5.377 5.286 5.472 0.002 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 13 LEU H 1 14 TYR QD 4.860 . 4.860 4.171 3.997 4.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 13 LEU H 1 15 GLN H 4.800 . 4.800 4.374 4.250 4.545 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 13 LEU H 1 16 LEU H 4.900 . 4.900 4.786 4.679 4.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 13 LEU H 1 16 LEU QD 4.730 . 4.730 3.915 3.630 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 13 LEU H 2 1 PHE QD 5.440 . 5.440 3.949 3.203 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 13 LEU HA 1 13 LEU MD1 4.180 . 4.180 3.717 3.681 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 13 LEU HA 1 13 LEU QD 3.440 . 3.440 3.439 3.424 3.451 0.011 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 13 LEU HA 1 13 LEU MD2 4.180 . 4.180 4.055 4.010 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 13 LEU HA 1 13 LEU HG 4.020 . 4.020 3.716 3.689 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 13 LEU HA 1 15 GLN H 4.810 . 4.810 4.257 4.116 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 13 LEU HA 1 16 LEU H 3.780 . 3.780 3.204 3.022 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 13 LEU HA 1 16 LEU HB2 3.750 . 3.750 2.284 2.118 2.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 13 LEU HA 1 16 LEU HB3 4.140 . 4.140 3.878 3.671 4.103 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 13 LEU HA 1 16 LEU QD 3.670 . 3.670 2.133 2.000 2.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 13 LEU HA 1 16 LEU HG 4.580 . 4.580 3.411 2.995 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 13 LEU HA 2 1 PHE QE 4.930 . 4.930 4.018 3.604 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 13 LEU HA 2 1 PHE HZ 4.740 . 4.740 4.308 3.787 4.745 0.005 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 13 LEU HA 2 18 VAL MG2 3.120 . 3.120 2.585 2.282 2.918 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 13 LEU QB 1 13 LEU MD1 3.110 . 3.110 2.141 2.111 2.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 13 LEU QB 1 13 LEU MD2 3.110 . 3.110 2.074 2.066 2.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 13 LEU QB 1 14 TYR H 3.670 . 3.670 3.616 3.569 3.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 13 LEU QB 1 16 LEU QD 4.710 . 4.710 3.340 3.139 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 13 LEU QB 2 1 PHE QD 5.040 . 5.040 3.221 2.794 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 13 LEU QB 2 1 PHE QE 4.660 . 4.660 3.536 2.814 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 13 LEU QB 2 18 VAL MG1 4.100 . 4.100 2.619 2.243 3.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 13 LEU QB 2 18 VAL MG2 4.610 . 4.610 2.452 2.190 2.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 13 LEU QD 1 14 TYR H 3.700 . 3.700 2.987 2.909 3.065 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 13 LEU QD 1 14 TYR HA 3.470 . 3.470 2.782 2.715 2.882 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 13 LEU QD 1 14 TYR HB2 4.410 . 4.410 4.438 4.417 4.461 0.051 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 13 LEU QD 1 14 TYR HB3 4.830 . 4.830 4.266 4.223 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 13 LEU QD 1 14 TYR QD 4.120 . 4.120 2.823 2.638 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 13 LEU QD 1 14 TYR QE 4.630 . 4.630 2.661 2.538 2.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 13 LEU QD 1 15 GLN H 4.840 . 4.840 4.717 4.656 4.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 13 LEU QD 1 17 GLU H 4.770 . 4.770 4.416 4.241 4.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 13 LEU QD 1 17 GLU QB 4.520 . 4.520 4.379 4.037 4.578 0.058 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 13 LEU QD 1 17 GLU QG 3.690 . 3.690 3.057 2.785 3.291 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 13 LEU QD 2 1 PHE QB 4.660 . 4.660 2.544 2.143 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 13 LEU QD 2 1 PHE QD 4.830 . 4.830 3.278 2.708 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 13 LEU QD 2 1 PHE HZ 6.240 . 6.240 5.431 4.980 5.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 13 LEU QD 2 18 VAL MG2 4.690 . 4.690 3.488 3.255 3.854 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 13 LEU MD1 1 14 TYR H 4.350 . 4.350 3.085 2.999 3.200 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 13 LEU MD1 1 14 TYR QD 4.840 . 4.840 2.863 2.662 3.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 13 LEU MD2 1 14 TYR H 4.350 . 4.350 3.991 3.853 4.077 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 13 LEU MD2 1 14 TYR QD 4.840 . 4.840 4.307 4.142 4.435 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 13 LEU HG 1 14 TYR H 4.250 . 4.250 2.323 2.177 2.414 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 13 LEU HG 1 14 TYR QD 4.850 . 4.850 3.476 3.327 3.669 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 14 TYR H 1 14 TYR HB2 3.230 . 3.230 2.631 2.572 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 14 TYR H 1 14 TYR QD 3.720 . 3.720 2.571 2.426 2.826 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 14 TYR H 1 15 GLN HB2 5.630 . 5.630 4.808 4.711 5.081 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 14 TYR H 1 16 LEU H 4.280 . 4.280 3.936 3.846 4.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 14 TYR H 2 18 VAL MG1 5.470 . 5.470 5.021 4.772 5.474 0.004 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 14 TYR HA 1 14 TYR QD 3.160 . 3.160 2.675 2.490 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 14 TYR HA 1 14 TYR QE 4.910 . 4.910 4.710 4.637 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 14 TYR HB2 1 15 GLN H 3.940 . 3.940 2.624 2.562 2.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 14 TYR HB2 1 16 LEU H 5.020 . 5.020 4.876 4.824 4.921 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 14 TYR HB3 1 15 GLN H 3.860 . 3.860 3.860 3.811 3.867 0.007 38 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 14 TYR HB3 1 16 LEU H 6.320 . 6.320 5.664 5.571 5.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 14 TYR QD 1 15 GLN H 4.290 . 4.290 3.819 3.716 3.994 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 14 TYR QD 1 15 GLN HB2 6.060 . 6.060 5.759 5.531 6.011 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 14 TYR QD 1 15 GLN QG 4.170 . 4.170 4.190 4.060 4.213 0.043 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 15 GLN H 1 15 GLN HB2 3.740 . 3.740 2.468 2.367 2.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 15 GLN H 1 15 GLN HG2 3.760 . 3.760 2.488 2.117 3.151 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 15 GLN H 1 15 GLN QG 3.010 . 3.010 2.298 2.104 2.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 15 GLN H 1 15 GLN HG3 3.760 . 3.760 3.316 2.297 3.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 15 GLN H 1 16 LEU H 3.240 . 3.240 2.462 2.379 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 15 GLN H 1 16 LEU HB2 4.710 . 4.710 4.528 4.424 4.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 15 GLN H 1 16 LEU HG 5.980 . 5.980 4.421 4.209 4.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 15 GLN HA 1 15 GLN HE21 5.010 . 5.010 3.631 2.887 4.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 15 GLN HA 1 15 GLN HE22 5.010 . 5.010 4.185 3.516 5.037 0.027 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 15 GLN HA 1 15 GLN QG 3.630 . 3.630 2.775 2.252 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 15 GLN HA 1 18 ASN H 3.970 . 3.970 3.752 3.394 3.937 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 15 GLN HA 1 18 ASN QB 4.130 . 4.130 3.834 2.619 4.145 0.015 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 15 GLN HA 1 18 ASN HD21 4.250 . 4.250 2.396 1.955 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 15 GLN HA 1 18 ASN QD 3.690 . 3.690 2.282 1.903 3.270 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 15 GLN HA 1 18 ASN HD22 4.250 . 4.250 2.966 2.608 4.270 0.020 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 15 GLN HB2 1 16 LEU H 3.370 . 3.370 2.620 2.542 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 15 GLN HB2 1 19 TYR QE 5.410 . 5.410 4.747 3.741 5.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 15 GLN HB3 1 15 GLN HE21 4.650 . 4.650 3.547 2.343 4.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 15 GLN HB3 1 15 GLN QE 3.990 . 3.990 3.317 2.319 3.998 0.008 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 15 GLN HB3 1 15 GLN HE22 4.650 . 4.650 4.137 3.479 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 15 GLN HB3 1 16 LEU H 4.330 . 4.330 3.703 3.566 3.877 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 15 GLN HB3 1 19 TYR QE 4.730 . 4.730 4.059 2.971 4.742 0.012 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 15 GLN QE 1 15 GLN QG 3.090 . 3.090 2.171 2.049 2.458 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 15 GLN QG 1 16 LEU H 4.300 . 4.300 3.984 3.781 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 15 GLN HG2 1 16 LEU H 4.890 . 4.890 4.363 3.936 4.808 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 15 GLN HG3 1 16 LEU H 4.890 . 4.890 4.712 4.158 4.897 0.007 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 16 LEU H 1 16 LEU HB2 3.330 . 3.330 2.373 2.261 2.456 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 16 LEU H 1 16 LEU HB3 3.990 . 3.990 3.585 3.553 3.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 16 LEU H 1 16 LEU MD1 5.060 . 5.060 3.526 3.364 3.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 16 LEU H 1 16 LEU QD 3.740 . 3.740 3.192 3.136 3.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 16 LEU H 1 16 LEU MD2 5.060 . 5.060 3.657 3.456 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 16 LEU H 1 16 LEU HG 3.850 . 3.850 2.451 2.334 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 16 LEU H 1 19 TYR QD 5.530 . 5.530 4.655 4.279 4.935 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 16 LEU H 2 15 LEU QD 5.710 . 5.710 4.884 4.648 5.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 16 LEU H 2 18 VAL MG2 5.010 . 5.010 4.484 4.299 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 16 LEU HA 1 16 LEU MD1 3.920 . 3.920 3.849 3.794 3.869 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 16 LEU HA 1 16 LEU QD 3.340 . 3.340 2.063 2.010 2.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 16 LEU HA 1 16 LEU MD2 3.920 . 3.920 2.072 2.017 2.133 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 16 LEU HA 1 16 LEU HG 4.040 . 4.040 2.878 2.629 3.057 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 16 LEU HA 1 18 ASN H 4.120 . 4.120 3.834 3.535 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 16 LEU HA 1 19 TYR H 3.770 . 3.770 3.552 3.202 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 16 LEU HA 1 19 TYR QD 2.960 . 2.960 2.098 1.982 2.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 16 LEU HA 1 19 TYR QE 3.630 . 3.630 3.038 2.703 3.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 16 LEU HA 2 15 LEU QD 3.860 . 3.860 2.938 2.496 3.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 16 LEU HA 2 18 VAL MG2 5.190 . 5.190 4.828 4.573 5.130 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 16 LEU HB2 1 18 ASN H 5.230 . 5.230 5.131 5.032 5.225 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 16 LEU HB2 1 19 TYR QD 5.750 . 5.750 4.905 4.783 5.134 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 16 LEU HB2 1 19 TYR QE 6.500 . 6.500 5.788 5.486 6.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 16 LEU HB2 2 1 PHE HZ 5.740 . 5.740 5.211 4.867 5.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 16 LEU HB2 2 14 ALA MB 5.420 . 5.420 5.008 4.772 5.426 0.006 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 16 LEU HB2 2 15 LEU QD 4.440 . 4.440 3.710 3.546 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 16 LEU HB2 2 15 LEU HG 6.040 . 6.040 5.774 5.206 6.041 0.001 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 16 LEU HB2 2 18 VAL MG2 3.650 . 3.650 2.432 2.244 2.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 16 LEU HB3 1 17 GLU H 4.240 . 4.240 3.742 3.613 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 16 LEU HB3 1 19 TYR QD 4.700 . 4.700 4.065 3.725 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 16 LEU HB3 2 15 LEU QD 4.080 . 4.080 2.224 2.079 2.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 16 LEU HB3 2 18 VAL MG2 4.020 . 4.020 2.739 2.382 3.053 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 16 LEU QD 1 18 ASN H 6.390 . 6.390 5.156 4.900 5.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 16 LEU QD 1 19 TYR HB2 5.180 . 5.180 4.081 3.373 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 16 LEU QD 1 19 TYR QD 3.490 . 3.490 3.101 2.792 3.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 16 LEU QD 1 19 TYR QE 3.750 . 3.750 2.874 2.339 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 16 LEU QD 1 20 CYS H 6.400 . 6.400 6.071 5.380 6.431 0.031 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 16 LEU QD 2 1 PHE QD 5.820 . 5.820 4.271 3.785 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 16 LEU QD 2 1 PHE QE 4.450 . 4.450 2.798 2.321 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 16 LEU QD 2 1 PHE HZ 4.100 . 4.100 2.253 2.110 2.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 16 LEU QD 2 11 LEU HA 5.350 . 5.350 3.695 3.273 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 16 LEU QD 2 14 ALA H 4.840 . 4.840 4.501 4.062 4.881 0.041 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 16 LEU QD 2 14 ALA HA 5.320 . 5.320 4.079 3.689 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 16 LEU QD 2 14 ALA MB 3.110 . 3.110 2.206 1.955 2.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 16 LEU QD 2 15 LEU QD 3.470 . 3.470 2.245 2.103 2.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 16 LEU QD 2 15 LEU HG 3.640 . 3.640 2.654 2.160 3.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 16 LEU QD 2 18 VAL HB 4.940 . 4.940 3.542 3.283 3.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 16 LEU QD 2 18 VAL MG2 3.530 . 3.530 2.048 1.978 2.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 16 LEU MD1 2 1 PHE HZ 5.360 . 5.360 2.260 2.116 2.454 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 16 LEU MD1 2 14 ALA MB 3.670 . 3.670 2.293 2.083 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 16 LEU MD2 2 1 PHE HZ 5.360 . 5.360 4.344 4.161 4.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 16 LEU MD2 2 14 ALA MB 3.670 . 3.670 2.908 2.330 3.515 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 16 LEU HG 1 19 TYR QD 5.430 . 5.430 4.806 4.514 5.129 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 16 LEU HG 2 1 PHE QE 6.070 . 6.070 4.998 4.655 5.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 16 LEU HG 2 15 LEU QD 4.720 . 4.720 4.263 4.035 4.516 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 16 LEU HG 2 18 VAL MG2 4.100 . 4.100 4.015 3.911 4.123 0.023 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 17 GLU H 1 17 GLU QB 3.160 . 3.160 2.354 2.258 2.434 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 17 GLU H 1 17 GLU HG2 3.690 . 3.690 3.378 2.482 3.697 0.007 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 17 GLU H 1 17 GLU HG3 3.690 . 3.690 2.742 2.315 3.695 0.005 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 17 GLU H 1 18 ASN H 3.270 . 3.270 2.811 2.693 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 17 GLU H 1 19 TYR H 4.590 . 4.590 4.414 4.242 4.514 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 17 GLU H 1 19 TYR HB2 6.500 . 6.500 5.611 5.452 5.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 17 GLU H 1 19 TYR QD 5.950 . 5.950 4.710 4.441 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 17 GLU H 2 15 LEU QD 5.940 . 5.940 4.662 4.519 5.024 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 17 GLU H 2 18 VAL MG1 3.870 . 3.870 2.949 2.743 3.090 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 17 GLU H 2 18 VAL MG2 5.360 . 5.360 4.530 4.336 4.958 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 17 GLU HA 1 17 GLU HG2 3.980 . 3.980 2.521 2.235 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 17 GLU HA 1 17 GLU QG 3.420 . 3.420 2.412 2.181 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 17 GLU HA 1 17 GLU HG3 3.980 . 3.980 3.147 2.816 3.778 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 17 GLU HA 2 18 VAL MG1 3.360 . 3.360 2.796 2.531 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 17 GLU HA 2 18 VAL MG2 5.700 . 5.700 5.068 4.855 5.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 17 GLU HB2 1 18 ASN H 4.010 . 4.010 3.052 2.763 3.427 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 17 GLU HB3 1 18 ASN H 4.010 . 4.010 3.786 3.578 4.015 0.005 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 17 GLU QG 1 18 ASN H 4.920 . 4.920 4.405 4.271 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 17 GLU QG 2 18 VAL MG2 4.560 . 4.560 4.142 3.925 4.525 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 17 GLU HG2 2 18 VAL MG1 3.750 . 3.750 2.406 2.127 2.648 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 17 GLU HG3 2 18 VAL MG1 3.750 . 3.750 2.652 2.183 3.758 0.008 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 18 ASN H 1 18 ASN HB2 3.710 . 3.710 2.436 2.228 3.287 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 18 ASN H 1 18 ASN QB 2.960 . 2.960 2.377 2.053 2.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 18 ASN H 1 18 ASN HB3 3.710 . 3.710 3.578 2.074 3.636 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 18 ASN H 1 18 ASN HD21 4.740 . 4.740 2.863 2.298 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 18 ASN H 1 18 ASN QD 4.140 . 4.140 2.772 2.281 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 18 ASN H 1 18 ASN HD22 4.740 . 4.740 3.842 3.541 4.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 18 ASN H 1 19 TYR H 3.120 . 3.120 2.685 2.551 2.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 18 ASN H 1 19 TYR QD 4.880 . 4.880 3.671 3.143 3.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 18 ASN H 2 18 VAL MG1 5.040 . 5.040 5.011 4.742 5.076 0.036 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 18 ASN HA 1 18 ASN HD21 4.860 . 4.860 4.095 2.365 4.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 18 ASN HA 1 18 ASN HD22 4.860 . 4.860 4.430 3.566 4.885 0.025 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 18 ASN QB 1 19 TYR H 4.110 . 4.110 2.970 2.874 3.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 18 ASN QB 1 19 TYR QD 4.290 . 4.290 3.474 2.881 4.230 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 18 ASN QB 1 19 TYR QE 4.920 . 4.920 4.301 3.283 4.948 0.028 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 19 TYR H 1 19 TYR HB2 3.360 . 3.360 2.301 2.238 2.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 19 TYR H 1 19 TYR HB3 4.040 . 4.040 3.569 3.537 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 19 TYR H 1 19 TYR QD 3.200 . 3.200 2.235 1.946 2.519 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 19 TYR H 1 19 TYR QE 4.590 . 4.590 4.469 4.211 4.599 0.009 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 19 TYR H 1 20 CYS H 3.350 . 3.350 2.520 2.238 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 19 TYR H 2 15 LEU QD 4.110 . 4.110 3.456 3.323 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 19 TYR HA 1 19 TYR QD 3.260 . 3.260 3.081 2.909 3.177 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 1 19 TYR HA 1 19 TYR QE 4.710 . 4.710 4.727 4.629 4.773 0.063 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 1 19 TYR HA 2 15 LEU QD 4.800 . 4.800 4.030 3.958 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 1 19 TYR HB2 1 20 CYS H 4.210 . 4.210 3.179 2.802 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 19 TYR HB2 2 15 LEU MD1 4.490 . 4.490 2.995 2.756 3.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 1 19 TYR HB2 2 15 LEU QD 3.490 . 3.490 1.959 1.907 2.025 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 1 19 TYR HB2 2 15 LEU MD2 4.490 . 4.490 1.987 1.932 2.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 1 19 TYR HB3 1 20 CYS H 4.250 . 4.250 3.972 3.709 4.253 0.003 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 19 TYR HB3 2 15 LEU QD 3.590 . 3.590 2.322 2.182 2.477 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 19 TYR HB3 2 15 LEU HG 4.800 . 4.800 4.810 4.783 4.823 0.023 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 19 TYR HB3 2 24 PHE QD 5.560 . 5.560 4.018 3.292 5.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 19 TYR QD 1 20 CYS H 5.290 . 5.290 4.445 4.051 4.688 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 19 TYR QD 2 11 LEU MD1 5.480 . 5.480 4.106 3.661 5.334 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 1 19 TYR QD 2 15 LEU MD1 4.030 . 4.030 2.951 2.627 3.551 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 19 TYR QD 2 15 LEU QD 3.300 . 3.300 2.537 2.327 2.960 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 19 TYR QD 2 15 LEU MD2 4.030 . 4.030 2.789 2.449 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 19 TYR QD 2 15 LEU HG 5.280 . 5.280 4.737 4.463 5.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 1 19 TYR QD 2 26 TYR HA 4.720 . 4.720 3.674 2.225 4.721 0.001 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 19 TYR QD 2 26 TYR QB 5.830 . 5.830 4.588 3.783 5.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 19 TYR QE 2 15 LEU MD1 4.770 . 4.770 3.912 3.431 4.789 0.019 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 19 TYR QE 2 15 LEU QD 4.170 . 4.170 3.542 3.160 4.218 0.048 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 19 TYR QE 2 15 LEU MD2 4.770 . 4.770 4.060 3.586 4.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 20 CYS CB 2 19 CYS SG 3.100 . 3.100 3.032 2.991 3.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 20 CYS H 1 20 CYS HB2 3.770 . 3.770 2.745 2.022 3.785 0.015 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 20 CYS H 1 20 CYS QB 3.130 . 3.130 2.528 2.001 3.143 0.013 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 20 CYS H 1 20 CYS HB3 3.770 . 3.770 3.379 2.367 3.767 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 20 CYS H 2 15 LEU QD 4.490 . 4.490 3.937 3.422 4.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 20 CYS HA 1 21 ASN H 3.040 . 3.040 2.426 2.085 3.043 0.003 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 20 CYS QB 1 21 ASN H 4.020 . 4.020 3.417 2.042 4.034 0.014 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 20 CYS SG 2 19 CYS CB 3.100 . 3.100 3.053 3.010 3.101 0.001 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 20 CYS SG 2 19 CYS SG 2.100 . 2.100 2.029 2.016 2.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 21 ASN H 1 21 ASN HB2 3.540 . 3.540 2.876 2.162 3.553 0.013 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 21 ASN H 1 21 ASN HB3 3.540 . 3.540 2.834 2.327 3.555 0.015 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 1 21 ASN H 2 25 PHE QE 4.800 . 4.800 3.773 2.434 4.817 0.017 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 2 1 PHE HA 2 1 PHE QD 3.420 . 3.420 2.815 2.652 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 2 1 PHE HA 2 1 PHE QE 4.640 . 4.640 4.568 4.478 4.645 0.005 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 2 1 PHE HA 2 2 VAL H 2.740 . 2.740 2.368 2.230 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 2 1 PHE HA 2 2 VAL QG 4.060 . 4.060 3.555 3.370 3.889 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 2 1 PHE QB 2 2 VAL QG 4.810 . 4.810 4.601 4.444 4.817 0.007 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 2 1 PHE QB 2 3 ASN H 5.810 . 5.810 5.400 4.864 5.794 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 2 1 PHE QD 2 2 VAL H 4.300 . 4.300 3.161 2.759 3.706 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 2 1 PHE QD 2 2 VAL HA 4.880 . 4.880 4.087 3.678 4.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 2 1 PHE QD 2 2 VAL QG 6.100 . 6.100 4.391 4.111 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 2 1 PHE QD 2 3 ASN H 4.720 . 4.720 4.268 3.674 4.726 0.006 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 2 1 PHE QD 2 3 ASN HA 4.370 . 4.370 3.586 3.011 4.067 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 2 1 PHE QD 2 3 ASN QB 5.370 . 5.370 4.769 4.236 5.372 0.002 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 2 1 PHE QD 2 14 ALA MB 6.140 . 6.140 5.161 4.239 5.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 2 1 PHE QD 2 18 VAL MG2 5.190 . 5.190 3.600 2.983 4.329 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 2 1 PHE QE 2 3 ASN HA 3.890 . 3.890 3.075 2.255 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 2 1 PHE QE 2 3 ASN QB 5.580 . 5.580 4.769 4.074 5.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 2 1 PHE QE 2 6 LEU QD 4.790 . 4.790 3.417 3.015 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 2 1 PHE QE 2 14 ALA MB 4.790 . 4.790 3.209 2.283 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 2 1 PHE QE 2 17 LEU HB3 6.500 . 6.500 5.009 4.139 5.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 2 1 PHE QE 2 17 LEU QD 4.340 . 4.340 3.670 3.093 4.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 2 1 PHE QE 2 18 VAL MG2 4.400 . 4.400 2.720 2.378 3.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 2 1 PHE HZ 2 6 LEU QD 4.320 . 4.320 2.618 2.133 3.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 2 1 PHE HZ 2 14 ALA MB 4.950 . 4.950 3.158 2.419 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 2 1 PHE HZ 2 17 LEU QD 5.210 . 5.210 5.204 4.714 5.248 0.038 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 2 1 PHE HZ 2 18 VAL MG2 5.010 . 5.010 3.941 3.316 4.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 2 2 VAL H 2 2 VAL HB 3.490 . 3.490 2.845 2.551 3.395 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 2 2 VAL H 2 2 VAL QG 3.250 . 3.250 2.541 2.039 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 2 2 VAL H 2 3 ASN H 4.620 . 4.620 4.371 4.275 4.622 0.002 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 2 2 VAL H 2 4 GLN QE 4.750 . 4.750 4.203 2.947 4.757 0.007 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 2 2 VAL HA 2 2 VAL QG 2.970 . 2.970 2.209 2.150 2.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 2 2 VAL HA 2 3 ASN H 2.500 . 2.500 2.223 2.157 2.309 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 2 2 VAL HA 2 3 ASN HA 4.440 . 4.440 4.382 4.312 4.445 0.005 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 2 2 VAL HA 2 3 ASN QB 4.690 . 4.690 4.475 4.271 4.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 2 2 VAL HB 2 3 ASN H 4.480 . 4.480 4.228 4.123 4.386 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 2 2 VAL HB 2 4 GLN QE 4.790 . 4.790 3.408 2.309 4.804 0.014 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 2 2 VAL QG 2 3 ASN H 3.240 . 3.240 2.632 2.345 3.014 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 2 2 VAL QG 2 3 ASN HA 4.480 . 4.480 4.018 3.756 4.201 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 2 2 VAL QG 2 3 ASN QB 4.510 . 4.510 3.989 3.478 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 2 2 VAL QG 2 4 GLN H 4.850 . 4.850 4.470 4.057 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 2 2 VAL QG 2 4 GLN HE21 4.330 . 4.330 2.624 1.903 3.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 2 2 VAL QG 2 4 GLN QE 3.790 . 3.790 2.540 1.883 3.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 2 2 VAL QG 2 4 GLN HE22 4.330 . 4.330 3.472 2.788 4.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 2 2 VAL QG 2 4 GLN QG 4.580 . 4.580 3.545 2.712 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 2 3 ASN H 2 3 ASN QB 2.800 . 2.800 2.526 2.291 2.801 0.001 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 2 3 ASN H 2 3 ASN HD21 4.740 . 4.740 3.558 2.090 4.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 2 3 ASN H 2 3 ASN QD 4.060 . 4.060 3.301 2.068 4.034 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 2 3 ASN H 2 3 ASN HD22 4.740 . 4.740 4.073 3.066 4.741 0.001 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 2 3 ASN HA 2 3 ASN QD 4.430 . 4.430 4.052 3.828 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 2 3 ASN HA 2 4 GLN H 2.740 . 2.740 2.119 2.069 2.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 2 3 ASN QB 2 3 ASN QD 2.900 . 2.900 2.178 2.092 2.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 2 3 ASN QB 2 3 ASN HD22 3.420 . 3.420 3.268 3.235 3.347 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 2 3 ASN QB 2 4 GLN H 3.620 . 3.620 3.092 2.836 3.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 2 3 ASN QB 2 5 HIS H 5.360 . 5.360 5.415 5.395 5.458 0.098 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 2 4 GLN H 2 4 GLN HB2 4.170 . 4.170 3.964 3.876 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 2 4 GLN H 2 4 GLN HB3 4.100 . 4.100 3.550 3.457 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 2 4 GLN H 2 5 HIS H 4.170 . 4.170 4.169 4.100 4.192 0.022 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 2 4 GLN H 2 6 LEU QD 4.920 . 4.920 3.835 3.029 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 2 4 GLN HA 2 4 GLN QG 3.580 . 3.580 3.379 3.335 3.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 2 4 GLN HA 2 5 HIS H 2.850 . 2.850 2.267 2.153 2.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 2 4 GLN HA 2 5 HIS HD2 5.280 . 5.280 5.259 5.075 5.293 0.013 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 2 4 GLN HB2 2 5 HIS H 3.520 . 3.520 2.872 2.433 3.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 2 4 GLN HB3 2 5 HIS H 4.470 . 4.470 3.985 3.726 4.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 2 4 GLN HB3 2 6 LEU QD 4.540 . 4.540 4.365 3.739 4.548 0.008 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 2 4 GLN QE 2 6 LEU QD 4.650 . 4.650 3.599 3.277 4.186 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 2 4 GLN QG 2 5 HIS H 4.360 . 4.360 3.919 3.463 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 2 4 GLN QG 2 6 LEU QD 4.030 . 4.030 2.098 1.899 2.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 2 4 GLN HG2 2 5 HIS H 5.020 . 5.020 4.889 3.608 5.032 0.012 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 2 4 GLN HG3 2 5 HIS H 5.020 . 5.020 4.140 3.805 4.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 2 5 HIS H 2 5 HIS HB2 3.770 . 3.770 2.510 2.159 2.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 2 5 HIS H 2 5 HIS QB 3.110 . 3.110 2.466 2.139 2.617 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 2 5 HIS H 2 5 HIS HB3 3.770 . 3.770 3.628 3.482 3.664 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 2 5 HIS H 2 5 HIS HD2 3.520 . 3.520 3.527 3.452 3.542 0.022 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 2 5 HIS H 2 6 LEU H 5.000 . 5.000 4.655 4.465 4.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 2 5 HIS HA 2 5 HIS HD2 4.890 . 4.890 4.724 4.261 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 2 5 HIS QB 2 5 HIS HD2 3.160 . 3.160 2.652 2.631 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 2 5 HIS QB 2 6 LEU H 4.170 . 4.170 2.928 2.792 3.616 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 2 5 HIS HB2 2 5 HIS HD2 3.660 . 3.660 2.728 2.694 2.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 2 5 HIS HB2 2 6 LEU H 4.760 . 4.760 4.015 3.810 4.585 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 2 5 HIS HB3 2 5 HIS HD2 3.660 . 3.660 3.618 3.586 3.685 0.025 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 2 5 HIS HB3 2 6 LEU H 4.760 . 4.760 3.011 2.855 3.785 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 2 6 LEU H 2 6 LEU MD1 5.060 . 5.060 3.881 3.440 4.219 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 2 6 LEU H 2 6 LEU QD 4.260 . 4.260 3.375 2.702 3.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
471 2 6 LEU H 2 6 LEU MD2 5.060 . 5.060 3.772 2.803 4.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 2 6 LEU H 2 6 LEU HG 4.650 . 4.650 3.622 2.917 4.683 0.033 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 2 6 LEU H 2 7 CYS H 5.070 . 5.070 4.192 4.083 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 2 6 LEU HA 2 6 LEU QD 2.870 . 2.870 2.176 1.986 2.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 2 6 LEU HA 2 6 LEU HG 4.200 . 4.200 3.192 2.913 3.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 2 6 LEU HA 2 7 CYS H 2.930 . 2.930 2.165 2.113 2.250 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 2 6 LEU HA 2 10 HIS HB2 4.680 . 4.680 3.376 2.784 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 2 6 LEU HA 2 10 HIS HB3 4.680 . 4.680 2.810 2.324 3.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 2 6 LEU HA 2 14 ALA MB 6.310 . 6.310 5.093 4.632 5.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 2 6 LEU QB 2 6 LEU QD 2.730 . 2.730 1.955 1.902 2.099 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 2 6 LEU QB 2 7 CYS H 3.840 . 3.840 3.461 2.986 3.614 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 2 6 LEU QB 2 11 LEU HA 3.530 . 3.530 2.113 1.959 2.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 2 6 LEU QB 2 11 LEU QB 5.200 . 5.200 2.586 2.275 3.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 2 6 LEU QB 2 11 LEU MD1 3.250 . 3.250 2.169 2.012 2.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 2 6 LEU HB2 2 7 CYS H 4.620 . 4.620 4.405 4.051 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 2 6 LEU HB2 2 11 LEU HA 4.140 . 4.140 3.566 2.926 3.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 2 6 LEU HB3 2 7 CYS H 4.620 . 4.620 3.622 3.074 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 2 6 LEU HB3 2 11 LEU HA 4.140 . 4.140 2.134 1.967 2.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 2 6 LEU QD 2 7 CYS H 4.080 . 4.080 3.706 3.426 4.090 0.010 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 2 6 LEU QD 2 10 HIS H 5.300 . 5.300 4.839 4.600 5.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 2 6 LEU QD 2 10 HIS QB 3.200 . 3.200 2.101 1.904 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 2 6 LEU QD 2 10 HIS HE1 4.780 . 4.780 4.745 4.109 4.912 0.132 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 2 6 LEU QD 2 11 LEU H 4.800 . 4.800 3.878 3.577 4.379 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 2 6 LEU QD 2 11 LEU HA 4.020 . 4.020 2.636 2.189 3.240 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 2 6 LEU QD 2 11 LEU HG 5.880 . 5.880 4.758 4.220 5.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 2 6 LEU QD 2 13 GLU HB2 5.040 . 5.040 4.497 3.914 5.065 0.025 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 2 6 LEU QD 2 14 ALA H 4.670 . 4.670 3.621 3.410 4.141 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 2 6 LEU QD 2 14 ALA MB 2.810 . 2.810 2.052 1.894 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 2 6 LEU QD 2 15 LEU QD 5.370 . 5.370 4.509 4.089 5.416 0.046 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 2 6 LEU MD1 2 14 ALA H 5.320 . 5.320 4.150 3.552 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 2 6 LEU MD1 2 14 ALA MB 3.820 . 3.820 2.229 1.985 3.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 2 6 LEU MD2 2 14 ALA H 5.320 . 5.320 4.266 3.550 5.351 0.031 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 2 6 LEU MD2 2 14 ALA MB 3.820 . 3.820 2.555 2.125 3.838 0.018 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 2 6 LEU HG 2 7 CYS H 5.320 . 5.320 5.155 4.508 5.329 0.009 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 2 7 CYS H 2 7 CYS HB2 3.960 . 3.960 2.829 2.536 3.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 2 7 CYS H 2 7 CYS QB 3.330 . 3.330 2.634 2.496 2.753 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 2 7 CYS H 2 7 CYS HB3 3.960 . 3.960 3.334 2.864 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 2 7 CYS H 2 10 HIS H 4.650 . 4.650 4.177 3.825 4.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 2 7 CYS H 2 10 HIS HB2 4.210 . 4.210 2.675 2.186 3.189 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 2 7 CYS H 2 10 HIS QB 3.560 . 3.560 2.550 2.142 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 2 7 CYS H 2 10 HIS HB3 4.210 . 4.210 3.309 2.796 4.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 2 7 CYS H 2 10 HIS HD2 5.400 . 5.400 5.331 4.807 5.415 0.015 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 2 7 CYS H 2 11 LEU QB 5.370 . 5.370 3.695 3.424 4.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 2 7 CYS HA 2 11 LEU QB 4.590 . 4.590 2.890 2.196 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
515 2 7 CYS HA 2 11 LEU MD2 4.140 . 4.140 3.197 2.771 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 2 7 CYS QB 2 8 GLY H 4.030 . 4.030 2.937 1.932 3.411 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 2 7 CYS HB2 2 8 GLY H 4.790 . 4.790 3.884 1.955 4.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 2 7 CYS HB3 2 8 GLY H 4.790 . 4.790 3.104 2.213 4.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 2 8 GLY H 2 9 SER H 5.040 . 5.040 4.544 3.692 4.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 2 8 GLY QA 2 9 SER H 3.110 . 3.110 2.146 2.096 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 2 8 GLY QA 2 10 HIS H 3.820 . 3.820 3.469 3.277 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 2 9 SER H 2 9 SER QB 3.590 . 3.590 2.683 2.230 2.872 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 2 9 SER H 2 10 HIS H 3.890 . 3.890 2.816 2.713 2.894 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 2 9 SER HA 2 9 SER QB 2.780 . 2.780 2.204 2.154 2.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 2 9 SER HA 2 11 LEU H 4.760 . 4.760 4.093 3.809 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 2 9 SER HA 2 12 VAL H 4.290 . 4.290 3.251 3.050 3.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 2 9 SER HA 2 12 VAL QG 3.310 . 3.310 2.599 2.027 2.985 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 2 9 SER QB 2 10 HIS H 3.890 . 3.890 3.211 2.845 3.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 2 9 SER QB 2 10 HIS HD2 4.330 . 4.330 4.155 3.054 4.339 0.009 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 2 9 SER QB 2 11 LEU H 5.790 . 5.790 4.909 4.745 5.112 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 2 9 SER QB 2 12 VAL QG 4.070 . 4.070 3.805 3.220 4.121 0.051 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 2 9 SER QB 2 13 GLU H 5.330 . 5.330 4.472 4.326 5.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 2 10 HIS H 2 10 HIS HB2 3.740 . 3.740 2.207 2.083 2.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 2 10 HIS H 2 10 HIS QB 3.140 . 3.140 2.185 2.064 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 2 10 HIS H 2 10 HIS HB3 3.740 . 3.740 3.500 3.363 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 2 10 HIS H 2 10 HIS HD2 4.170 . 4.170 3.020 2.301 3.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 2 10 HIS H 2 11 LEU H 3.460 . 3.460 2.684 2.591 2.857 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 2 10 HIS H 2 12 VAL H 4.810 . 4.810 4.261 4.010 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 2 10 HIS HA 2 10 HIS HD2 3.920 . 3.920 3.500 3.145 3.923 0.003 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 2 10 HIS HA 2 10 HIS HE1 5.260 . 5.260 5.099 4.758 5.265 0.005 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 2 10 HIS HA 2 13 GLU H 4.060 . 4.060 3.434 3.136 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 2 10 HIS HA 2 14 ALA H 4.680 . 4.680 4.156 3.978 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 2 10 HIS HA 2 14 ALA MB 6.500 . 6.500 4.669 4.492 5.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 2 10 HIS QB 2 11 LEU H 3.880 . 3.880 2.804 2.680 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 2 10 HIS HB2 2 11 LEU H 4.670 . 4.670 3.003 2.778 3.238 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 2 10 HIS HB3 2 11 LEU H 4.670 . 4.670 3.393 3.143 3.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 2 11 LEU H 2 11 LEU QB 3.630 . 3.630 2.215 2.175 2.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 2 11 LEU H 2 11 LEU MD1 5.120 . 5.120 4.171 4.106 4.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 2 11 LEU H 2 11 LEU MD2 4.390 . 4.390 4.175 4.113 4.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 2 11 LEU H 2 13 GLU H 4.650 . 4.650 4.079 3.917 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 2 11 LEU H 2 14 ALA H 5.340 . 5.340 4.741 4.634 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 2 11 LEU HA 2 11 LEU MD1 2.940 . 2.940 2.178 2.087 2.243 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 2 11 LEU HA 2 11 LEU MD2 4.440 . 4.440 3.860 3.660 3.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 2 11 LEU HA 2 11 LEU HG 3.940 . 3.940 3.256 2.997 3.533 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 2 11 LEU HA 2 14 ALA MB 3.510 . 3.510 2.773 2.460 2.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 2 11 LEU HA 2 15 LEU H 5.230 . 5.230 4.294 4.109 4.509 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 2 11 LEU QB 2 12 VAL H 3.840 . 3.840 2.501 2.416 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
558 2 11 LEU HB2 2 11 LEU MD1 3.430 . 3.430 2.456 2.357 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 2 11 LEU HB2 2 11 LEU MD2 3.350 . 3.350 2.315 2.157 2.428 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 2 11 LEU HB2 2 12 VAL H 4.470 . 4.470 3.825 3.743 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
561 2 11 LEU HB3 2 11 LEU MD1 3.430 . 3.430 3.236 3.217 3.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 2 11 LEU HB3 2 11 LEU MD2 3.350 . 3.350 2.308 2.241 2.501 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
563 2 11 LEU HB3 2 12 VAL H 4.470 . 4.470 2.535 2.447 2.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
564 2 11 LEU MD1 2 12 VAL H 5.040 . 5.040 4.516 4.270 4.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
565 2 11 LEU MD1 2 14 ALA H 5.600 . 5.600 4.602 4.091 4.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
566 2 11 LEU MD1 2 14 ALA MB 4.040 . 4.040 3.061 2.368 3.424 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
567 2 11 LEU MD1 2 15 LEU H 4.790 . 4.790 4.284 3.878 4.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
568 2 11 LEU MD1 2 15 LEU QD 3.860 . 3.860 3.020 2.534 3.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
569 2 11 LEU MD2 2 12 VAL H 4.880 . 4.880 4.344 4.185 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
570 2 11 LEU MD2 2 26 TYR QD 4.410 . 4.410 3.403 2.487 4.167 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
571 2 11 LEU MD2 2 26 TYR QE 4.130 . 4.130 2.227 2.001 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
572 2 11 LEU HG 2 12 VAL H 4.930 . 4.930 3.871 3.640 4.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
573 2 11 LEU HG 2 12 VAL QG 4.570 . 4.570 3.894 3.318 4.579 0.009 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
574 2 11 LEU HG 2 15 LEU QD 3.580 . 3.580 2.709 2.211 3.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
575 2 12 VAL H 2 12 VAL HB 3.690 . 3.690 2.631 2.454 3.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
576 2 12 VAL H 2 12 VAL QG 3.340 . 3.340 2.029 1.918 2.303 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
577 2 12 VAL H 2 13 GLU H 3.700 . 3.700 2.698 2.587 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
578 2 12 VAL HA 2 12 VAL QG 2.920 . 2.920 2.169 2.144 2.282 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
579 2 12 VAL HA 2 14 ALA H 4.590 . 4.590 4.247 4.096 4.343 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
580 2 12 VAL HA 2 15 LEU H 4.070 . 4.070 3.355 2.994 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
581 2 12 VAL HA 2 15 LEU QD 3.630 . 3.630 2.430 2.237 2.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
582 2 12 VAL HA 2 15 LEU HG 5.010 . 5.010 3.641 3.163 4.054 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
583 2 12 VAL HA 2 16 TYR H 5.350 . 5.350 4.462 4.087 4.880 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
584 2 12 VAL HA 2 24 PHE QD 6.130 . 6.130 4.762 4.305 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
585 2 12 VAL HA 2 24 PHE QE 4.390 . 4.390 3.010 2.563 3.734 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
586 2 12 VAL HB 2 16 TYR QE 5.850 . 5.850 4.355 3.003 5.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
587 2 12 VAL HB 2 24 PHE QE 4.940 . 4.940 4.668 2.794 4.960 0.020 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
588 2 12 VAL QG 2 13 GLU H 3.530 . 3.530 3.110 2.347 3.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
589 2 12 VAL QG 2 13 GLU HA 3.700 . 3.700 3.468 3.234 3.567 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
590 2 12 VAL QG 2 13 GLU HB2 4.850 . 4.850 4.710 3.960 4.871 0.021 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
591 2 12 VAL QG 2 13 GLU QG 4.010 . 4.010 3.542 2.667 3.799 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
592 2 12 VAL QG 2 14 ALA H 4.490 . 4.490 4.517 4.287 4.581 0.091 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
593 2 12 VAL QG 2 15 LEU H 4.450 . 4.450 4.329 4.215 4.464 0.014 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
594 2 12 VAL QG 2 15 LEU QD 3.910 . 3.910 3.065 2.559 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
595 2 12 VAL QG 2 15 LEU HG 5.220 . 5.220 4.643 4.324 4.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
596 2 12 VAL QG 2 16 TYR QD 3.590 . 3.590 2.978 2.567 3.623 0.033 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
597 2 12 VAL QG 2 16 TYR QE 3.360 . 3.360 2.302 2.115 3.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
598 2 12 VAL QG 2 24 PHE QD 4.490 . 4.490 4.080 3.869 4.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
599 2 12 VAL QG 2 24 PHE QE 3.010 . 3.010 2.217 2.024 2.554 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
600 2 12 VAL QG 2 26 TYR QD 4.290 . 4.290 3.099 2.236 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
601 2 12 VAL QG 2 26 TYR QE 4.610 . 4.610 3.720 2.821 4.671 0.061 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
602 2 13 GLU H 2 13 GLU HB2 3.420 . 3.420 2.369 2.298 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
603 2 13 GLU H 2 13 GLU HB3 3.700 . 3.700 3.587 3.562 3.630 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
604 2 13 GLU H 2 13 GLU QG 3.570 . 3.570 2.415 2.322 2.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
605 2 13 GLU H 2 14 ALA H 3.480 . 3.480 2.657 2.566 2.691 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
606 2 13 GLU H 2 14 ALA MB 4.330 . 4.330 4.340 4.272 4.353 0.023 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
607 2 13 GLU H 2 15 LEU QD 5.950 . 5.950 5.246 5.079 5.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
608 2 13 GLU HA 2 13 GLU QG 3.490 . 3.490 2.616 2.355 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
609 2 13 GLU HA 2 16 TYR H 4.030 . 4.030 3.473 3.122 3.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
610 2 13 GLU HA 2 16 TYR QB 3.540 . 3.540 3.050 2.393 3.542 0.002 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
611 2 13 GLU HA 2 16 TYR QD 3.520 . 3.520 2.072 1.894 2.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
612 2 13 GLU HA 2 16 TYR QE 4.380 . 4.380 3.899 3.167 4.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
613 2 13 GLU HB2 2 14 ALA H 3.870 . 3.870 2.823 2.666 3.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
614 2 13 GLU HB2 2 14 ALA MB 4.750 . 4.750 4.099 3.968 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
615 2 13 GLU HB3 2 14 ALA H 3.900 . 3.900 3.690 3.462 3.905 0.005 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
616 2 13 GLU HB3 2 14 ALA MB 5.230 . 5.230 4.702 4.526 4.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
617 2 13 GLU HB3 2 16 TYR QB 4.820 . 4.820 4.555 3.956 4.826 0.006 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
618 2 13 GLU QG 2 14 ALA H 4.580 . 4.580 4.286 4.232 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
619 2 13 GLU QG 2 16 TYR QD 4.740 . 4.740 3.977 3.655 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
620 2 13 GLU QG 2 16 TYR QE 4.790 . 4.790 4.536 4.136 4.798 0.008 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
621 2 14 ALA H 2 14 ALA MB 2.860 . 2.860 2.226 2.205 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
622 2 14 ALA H 2 15 LEU H 3.410 . 3.410 2.533 2.464 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
623 2 14 ALA H 2 15 LEU QB 4.980 . 4.980 4.461 4.340 4.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
624 2 14 ALA H 2 15 LEU QD 5.030 . 5.030 4.775 4.664 4.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
625 2 14 ALA H 2 16 TYR H 4.380 . 4.380 4.126 3.965 4.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
626 2 14 ALA H 2 16 TYR QD 5.470 . 5.470 4.957 4.684 5.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
627 2 14 ALA H 2 18 VAL MG2 5.820 . 5.820 5.791 5.449 5.853 0.033 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
628 2 14 ALA HA 2 16 TYR H 4.400 . 4.400 4.262 4.151 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
629 2 14 ALA HA 2 17 LEU QD 3.920 . 3.920 2.585 2.360 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
630 2 14 ALA HA 2 18 VAL MG2 4.180 . 4.180 4.047 3.829 4.198 0.018 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
631 2 14 ALA MB 2 15 LEU H 3.060 . 3.060 2.591 2.474 2.695 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
632 2 14 ALA MB 2 15 LEU HA 4.290 . 4.290 3.828 3.764 3.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
633 2 14 ALA MB 2 16 TYR H 4.530 . 4.530 4.527 4.456 4.553 0.023 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
634 2 14 ALA MB 2 16 TYR QD 5.970 . 5.970 5.909 5.614 6.007 0.037 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
635 2 14 ALA MB 2 17 LEU QD 4.650 . 4.650 3.609 3.226 3.942 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
636 2 14 ALA MB 2 18 VAL H 5.070 . 5.070 4.588 4.433 4.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
637 2 14 ALA MB 2 18 VAL HB 5.890 . 5.890 4.887 4.576 5.097 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
638 2 14 ALA MB 2 18 VAL MG2 3.810 . 3.810 3.311 3.040 3.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
639 2 15 LEU H 2 15 LEU QB 3.530 . 3.530 2.307 2.228 2.399 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
640 2 15 LEU H 2 15 LEU MD1 4.290 . 4.290 3.595 3.421 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
641 2 15 LEU H 2 15 LEU QD 3.630 . 3.630 3.224 3.124 3.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
642 2 15 LEU H 2 15 LEU MD2 4.290 . 4.290 3.650 3.406 3.846 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
643 2 15 LEU H 2 15 LEU HG 3.540 . 3.540 2.554 2.348 2.742 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
644 2 15 LEU H 2 16 TYR H 3.630 . 3.630 2.717 2.665 2.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
645 2 15 LEU H 2 16 TYR QB 4.720 . 4.720 4.605 4.418 4.721 0.001 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
646 2 15 LEU HA 2 15 LEU MD1 3.970 . 3.970 3.865 3.836 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
647 2 15 LEU HA 2 15 LEU QD 2.910 . 2.910 1.987 1.954 2.074 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
648 2 15 LEU HA 2 15 LEU MD2 3.970 . 3.970 1.993 1.960 2.082 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
649 2 15 LEU HA 2 16 TYR QD 6.170 . 6.170 6.031 5.794 6.170 0.000 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
650 2 15 LEU HA 2 18 VAL MG2 3.430 . 3.430 3.306 2.711 3.450 0.020 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
651 2 15 LEU HA 2 24 PHE QE 6.240 . 6.240 5.140 4.948 5.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
652 2 15 LEU QB 2 16 TYR H 3.910 . 3.910 2.803 2.696 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
653 2 15 LEU QB 2 24 PHE QD 4.440 . 4.440 2.960 2.629 3.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
654 2 15 LEU QD 2 16 TYR H 4.300 . 4.300 4.254 4.180 4.306 0.006 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
655 2 15 LEU QD 2 18 VAL H 5.430 . 5.430 4.418 4.286 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
656 2 15 LEU QD 2 18 VAL HB 4.200 . 4.200 3.103 2.733 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
657 2 15 LEU QD 2 18 VAL MG1 5.950 . 5.950 3.617 2.962 3.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
658 2 15 LEU QD 2 18 VAL MG2 3.940 . 3.940 3.599 2.782 3.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
659 2 15 LEU QD 2 19 CYS H 4.680 . 4.680 4.130 3.836 4.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
660 2 15 LEU QD 2 19 CYS QB 4.300 . 4.300 3.904 3.281 4.335 0.035 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
661 2 15 LEU QD 2 24 PHE QB 4.100 . 4.100 2.844 2.339 3.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
662 2 15 LEU QD 2 24 PHE QD 3.810 . 3.810 2.363 2.203 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
663 2 15 LEU QD 2 24 PHE QE 3.790 . 3.790 2.693 2.502 3.050 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
664 2 15 LEU QD 2 25 PHE H 5.100 . 5.100 3.978 3.577 4.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
665 2 15 LEU QD 2 26 TYR QB 4.440 . 4.440 3.089 2.376 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
666 2 15 LEU QD 2 26 TYR QD 4.490 . 4.490 3.064 2.127 3.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
667 2 15 LEU QD 2 26 TYR QE 5.350 . 5.350 4.283 2.736 5.116 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
668 2 15 LEU MD1 2 16 TYR H 5.080 . 5.080 4.766 4.602 4.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
669 2 15 LEU MD1 2 24 PHE QD 4.510 . 4.510 2.385 2.219 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
670 2 15 LEU MD1 2 24 PHE QE 4.600 . 4.600 2.711 2.512 3.092 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
671 2 15 LEU MD2 2 16 TYR H 5.080 . 5.080 4.786 4.726 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
672 2 15 LEU MD2 2 24 PHE QD 4.510 . 4.510 3.840 3.400 4.159 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
673 2 15 LEU MD2 2 24 PHE QE 4.600 . 4.600 4.642 4.504 4.697 0.097 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
674 2 15 LEU HG 2 18 VAL HB 5.910 . 5.910 5.183 4.723 5.534 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
675 2 15 LEU HG 2 24 PHE QD 5.450 . 5.450 5.000 4.792 5.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
676 2 15 LEU HG 2 24 PHE QE 5.270 . 5.270 4.849 4.624 5.271 0.001 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
677 2 16 TYR H 2 16 TYR QB 2.830 . 2.830 2.285 2.171 2.367 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
678 2 16 TYR H 2 16 TYR QD 3.890 . 3.890 2.892 2.564 3.035 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
679 2 16 TYR H 2 17 LEU H 3.690 . 3.690 2.723 2.660 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
680 2 16 TYR H 2 17 LEU HB2 5.420 . 5.420 4.981 4.894 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
681 2 16 TYR H 2 19 CYS H 5.070 . 5.070 4.917 4.853 5.071 0.001 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
682 2 16 TYR H 2 24 PHE QE 4.320 . 4.320 3.387 3.069 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
683 2 16 TYR HA 2 16 TYR QD 3.260 . 3.260 2.662 2.488 2.852 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
684 2 16 TYR HA 2 16 TYR QE 4.660 . 4.660 4.480 4.406 4.612 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
685 2 16 TYR HA 2 19 CYS H 4.340 . 4.340 4.063 3.860 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
686 2 16 TYR HA 2 20 GLY H 5.210 . 5.210 3.887 3.739 4.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
687 2 16 TYR HA 2 24 PHE QD 3.870 . 3.870 3.180 2.809 3.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
688 2 16 TYR HA 2 24 PHE QE 3.330 . 3.330 2.338 2.088 2.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
689 2 16 TYR QB 2 17 LEU H 3.830 . 3.830 2.656 2.546 2.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
690 2 16 TYR QB 2 17 LEU HB3 5.420 . 5.420 5.331 5.197 5.422 0.002 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
691 2 16 TYR QB 2 17 LEU QD 3.870 . 3.870 3.517 3.398 3.665 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
692 2 16 TYR QB 2 17 LEU HG 4.480 . 4.480 3.389 3.243 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
693 2 16 TYR QB 2 18 VAL H 4.940 . 4.940 4.775 4.608 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
694 2 16 TYR QB 2 24 PHE QE 3.970 . 3.970 3.614 3.504 3.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
695 2 16 TYR QD 2 17 LEU H 4.710 . 4.710 4.528 4.339 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
696 2 17 LEU H 2 17 LEU HB2 4.090 . 4.090 2.499 2.462 2.544 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
697 2 17 LEU H 2 17 LEU HB3 3.880 . 3.880 3.599 3.591 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
698 2 17 LEU H 2 17 LEU MD1 4.520 . 4.520 3.552 3.524 3.583 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
699 2 17 LEU H 2 17 LEU MD2 4.520 . 4.520 3.462 3.376 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
700 2 17 LEU H 2 17 LEU HG 4.080 . 4.080 2.296 2.206 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
701 2 17 LEU H 2 18 VAL H 3.770 . 3.770 2.622 2.530 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
702 2 17 LEU H 2 18 VAL MG2 4.960 . 4.960 4.041 3.916 4.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
703 2 17 LEU H 2 19 CYS H 4.900 . 4.900 4.290 4.143 4.429 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
704 2 17 LEU HA 2 17 LEU QD 2.880 . 2.880 2.217 2.177 2.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
705 2 17 LEU HA 2 17 LEU HG 3.730 . 3.730 3.144 3.094 3.198 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
706 2 17 LEU HA 2 19 CYS H 4.860 . 4.860 4.775 4.583 4.863 0.003 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
707 2 17 LEU HB2 2 18 VAL H 3.860 . 3.860 2.493 2.383 2.586 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
708 2 17 LEU HB2 2 18 VAL MG2 4.250 . 4.250 2.871 2.716 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
709 2 17 LEU HB3 2 18 VAL H 4.040 . 4.040 3.575 3.452 3.679 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
710 2 17 LEU HB3 2 19 CYS H 6.050 . 6.050 5.695 5.522 5.814 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
711 2 17 LEU HB3 2 20 GLY H 5.350 . 5.350 5.365 5.358 5.377 0.027 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
712 2 17 LEU HG 2 18 VAL H 4.660 . 4.660 4.282 4.178 4.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
713 2 18 VAL H 2 18 VAL HB 3.330 . 3.330 2.461 2.380 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
714 2 18 VAL H 2 18 VAL MG1 3.950 . 3.950 3.785 3.751 3.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
715 2 18 VAL H 2 18 VAL MG2 3.080 . 3.080 2.202 2.143 2.264 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
716 2 18 VAL H 2 19 CYS H 3.240 . 3.240 2.622 2.520 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
717 2 18 VAL H 2 19 CYS QB 5.000 . 5.000 4.618 4.369 4.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
718 2 18 VAL H 2 20 GLY H 4.520 . 4.520 3.726 3.570 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
719 2 18 VAL HA 2 18 VAL MG1 3.000 . 3.000 2.446 2.382 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
720 2 18 VAL HA 2 18 VAL MG2 3.300 . 3.300 2.328 2.281 2.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
721 2 18 VAL HB 2 19 CYS H 3.410 . 3.410 2.641 2.505 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
722 2 18 VAL MG1 2 19 CYS H 3.610 . 3.610 3.421 3.189 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
723 2 18 VAL MG1 2 19 CYS HA 4.010 . 4.010 3.442 3.224 3.635 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
724 2 18 VAL MG2 2 19 CYS H 3.870 . 3.870 3.892 3.872 3.927 0.057 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
725 2 18 VAL MG2 2 19 CYS HA 5.650 . 5.650 5.431 5.372 5.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
726 2 18 VAL MG2 2 20 GLY H 6.130 . 6.130 5.147 5.007 5.311 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
727 2 19 CYS H 2 19 CYS HB2 3.730 . 3.730 2.356 2.165 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
728 2 19 CYS H 2 19 CYS QB 3.120 . 3.120 2.317 2.135 2.473 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
729 2 19 CYS H 2 19 CYS HB3 3.730 . 3.730 3.468 2.796 3.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
730 2 19 CYS H 2 20 GLY H 3.240 . 3.240 2.386 2.306 2.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
731 2 19 CYS H 2 20 GLY QA 4.500 . 4.500 4.298 4.220 4.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
732 2 19 CYS HA 2 22 ARG H 6.070 . 6.070 4.962 4.380 5.541 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
733 2 19 CYS HA 2 22 ARG HE 4.280 . 4.280 3.079 2.475 3.987 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
734 2 19 CYS QB 2 24 PHE QD 3.850 . 3.850 2.784 2.355 3.495 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
735 2 19 CYS QB 2 24 PHE QE 5.580 . 5.580 4.472 3.743 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
736 2 19 CYS HB2 2 20 GLY H 4.480 . 4.480 3.432 3.018 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
737 2 19 CYS HB3 2 20 GLY H 4.480 . 4.480 3.891 3.144 4.289 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
738 2 20 GLY H 2 21 GLU H 4.840 . 4.840 4.630 4.559 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
739 2 20 GLY H 2 22 ARG HE 5.940 . 5.940 5.017 4.780 5.944 0.004 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
740 2 20 GLY QA 2 21 GLU H 3.260 . 3.260 2.143 2.055 2.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
741 2 20 GLY QA 2 21 GLU HA 4.290 . 4.290 3.944 3.903 3.977 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
742 2 20 GLY QA 2 22 ARG H 3.960 . 3.960 3.300 3.047 3.552 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
743 2 20 GLY QA 2 22 ARG HE 5.000 . 5.000 4.080 3.553 5.008 0.008 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
744 2 21 GLU H 2 21 GLU QB 3.670 . 3.670 2.379 2.064 2.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
745 2 21 GLU H 2 21 GLU QG 4.370 . 4.370 2.611 1.867 4.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
746 2 21 GLU H 2 22 ARG H 3.820 . 3.820 2.841 2.733 3.009 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
747 2 21 GLU HB2 2 22 ARG H 4.450 . 4.450 3.661 3.209 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
748 2 21 GLU HB3 2 22 ARG H 4.450 . 4.450 4.117 3.089 4.462 0.012 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
749 2 21 GLU QG 2 22 ARG H 4.890 . 4.890 4.338 2.971 4.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
750 2 22 ARG H 2 22 ARG HB2 3.680 . 3.680 2.730 2.254 3.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
751 2 22 ARG H 2 22 ARG QB 3.110 . 3.110 2.362 2.173 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
752 2 22 ARG H 2 22 ARG HB3 3.680 . 3.680 3.266 2.194 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
753 2 22 ARG H 2 22 ARG QD 4.240 . 4.240 3.954 2.095 4.297 0.057 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
754 2 22 ARG H 2 22 ARG HE 4.450 . 4.450 3.231 2.564 3.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
755 2 22 ARG H 2 22 ARG HG2 4.240 . 4.240 3.466 2.727 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
756 2 22 ARG H 2 22 ARG QG 3.380 . 3.380 2.590 2.218 3.423 0.043 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
757 2 22 ARG H 2 22 ARG HG3 4.240 . 4.240 2.971 2.251 4.190 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
758 2 22 ARG H 2 23 GLY H 3.320 . 3.320 2.544 2.386 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
759 2 22 ARG H 2 23 GLY HA2 5.340 . 5.340 4.869 4.712 5.016 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
760 2 22 ARG HA 2 22 ARG HE 4.790 . 4.790 4.763 4.353 4.808 0.018 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
761 2 22 ARG HB2 2 22 ARG QD 3.660 . 3.660 2.723 2.400 3.047 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
762 2 22 ARG HB2 2 22 ARG HE 4.010 . 4.010 2.674 1.976 3.810 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
763 2 22 ARG HB3 2 22 ARG QD 3.660 . 3.660 2.621 2.322 3.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
764 2 22 ARG HB3 2 22 ARG HE 4.010 . 4.010 3.255 2.336 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
765 2 22 ARG HE 2 22 ARG HG2 3.890 . 3.890 3.113 2.225 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
766 2 22 ARG HE 2 22 ARG HG3 3.890 . 3.890 2.870 2.334 3.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
767 2 23 GLY HA2 2 24 PHE H 3.400 . 3.400 2.532 2.294 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
768 2 23 GLY HA2 2 24 PHE QD 4.060 . 4.060 2.964 2.823 3.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
769 2 23 GLY HA2 2 24 PHE QE 4.640 . 4.640 4.318 4.044 4.647 0.007 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
770 2 23 GLY HA3 2 24 PHE H 3.350 . 3.350 2.620 2.489 2.886 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
771 2 23 GLY HA3 2 24 PHE QD 4.600 . 4.600 4.347 4.202 4.605 0.005 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
772 2 24 PHE H 2 24 PHE QB 3.580 . 3.580 3.262 3.148 3.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
773 2 24 PHE H 2 24 PHE QD 3.650 . 3.650 3.046 2.772 3.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
774 2 24 PHE H 2 24 PHE QE 4.700 . 4.700 4.433 4.286 4.579 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
775 2 24 PHE H 2 25 PHE H 4.390 . 4.390 4.322 4.276 4.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
776 2 24 PHE HA 2 24 PHE QD 3.730 . 3.730 3.744 3.735 3.752 0.022 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
777 2 24 PHE HA 2 24 PHE QE 5.880 . 5.880 5.664 5.646 5.675 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
778 2 24 PHE HA 2 25 PHE H 3.090 . 3.090 2.599 2.489 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
779 2 24 PHE HA 2 25 PHE QD 4.810 . 4.810 3.552 3.059 3.898 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
780 2 24 PHE QB 2 25 PHE H 3.590 . 3.590 2.225 2.050 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
781 2 24 PHE QB 2 25 PHE QD 4.840 . 4.840 4.376 4.083 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
782 2 24 PHE QB 2 25 PHE QE 5.610 . 5.610 5.332 4.918 5.632 0.022 11 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
783 2 24 PHE QD 2 25 PHE H 3.980 . 3.980 2.797 2.730 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
784 2 24 PHE QD 2 25 PHE HA 4.460 . 4.460 3.455 3.268 3.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
785 2 24 PHE QD 2 26 TYR H 4.770 . 4.770 4.395 4.167 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
786 2 24 PHE QD 2 26 TYR HA 4.550 . 4.550 4.298 3.849 4.551 0.001 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
787 2 24 PHE QE 2 25 PHE H 5.030 . 5.030 5.026 4.914 5.056 0.026 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
788 2 24 PHE QE 2 26 TYR QB 3.410 . 3.410 2.833 2.273 3.385 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
789 2 25 PHE H 2 25 PHE QB 3.530 . 3.530 3.087 2.963 3.168 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
790 2 25 PHE H 2 25 PHE QD 3.910 . 3.910 2.805 2.429 3.153 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
791 2 25 PHE H 2 25 PHE QE 5.330 . 5.330 4.236 4.038 4.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
792 2 25 PHE H 2 26 TYR H 4.590 . 4.590 4.422 4.340 4.478 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
793 2 25 PHE HA 2 25 PHE QD 3.820 . 3.820 3.763 3.746 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
794 2 25 PHE HA 2 26 TYR H 3.010 . 3.010 2.429 2.356 2.522 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
795 2 25 PHE QB 2 26 TYR H 3.640 . 3.640 2.475 2.272 2.606 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
796 2 25 PHE HB2 2 26 TYR H 4.290 . 4.290 2.505 2.295 2.642 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
797 2 25 PHE HB3 2 26 TYR H 4.290 . 4.290 3.860 3.666 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
798 2 25 PHE QD 2 26 TYR H 4.370 . 4.370 3.220 2.953 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
799 2 25 PHE QD 2 26 TYR HA 4.840 . 4.840 3.446 3.137 3.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
800 2 25 PHE QD 2 26 TYR QB 5.520 . 5.520 4.741 4.593 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
801 2 25 PHE QD 2 27 THR H 4.570 . 4.570 4.233 3.684 4.581 0.011 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
802 2 25 PHE QD 2 27 THR MG 4.370 . 4.370 2.996 2.129 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
803 2 25 PHE QE 2 27 THR MG 4.360 . 4.360 3.025 2.332 3.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
804 2 25 PHE HZ 2 27 THR MG 5.490 . 5.490 5.048 4.149 5.512 0.022 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
805 2 26 TYR H 2 26 TYR QB 3.190 . 3.190 2.665 2.368 2.777 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
806 2 26 TYR H 2 26 TYR QD 4.560 . 4.560 4.388 4.274 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
807 2 26 TYR H 2 27 THR H 4.510 . 4.510 4.312 4.176 4.512 0.002 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
808 2 26 TYR HA 2 26 TYR QD 3.370 . 3.370 2.584 2.304 3.023 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
809 2 26 TYR HA 2 26 TYR QE 4.570 . 4.570 4.563 4.455 4.592 0.022 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
810 2 26 TYR HA 2 27 THR H 2.970 . 2.970 2.262 2.181 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
811 2 26 TYR QB 2 27 THR H 3.840 . 3.840 3.597 3.433 3.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
812 2 26 TYR QD 2 27 THR H 4.160 . 4.160 3.044 2.469 3.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
813 2 26 TYR QD 2 27 THR MG 4.900 . 4.900 4.523 3.359 4.968 0.068 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
814 2 26 TYR QD 2 28 PRO HA 4.810 . 4.810 3.926 2.929 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
815 2 26 TYR QD 2 28 PRO HB2 5.480 . 5.480 4.894 4.275 5.488 0.008 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
816 2 26 TYR QD 2 28 PRO QB 4.730 . 4.730 3.174 2.519 3.818 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
817 2 26 TYR QD 2 28 PRO HB3 5.480 . 5.480 3.217 2.537 3.896 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
818 2 26 TYR QD 2 28 PRO HD3 4.880 . 4.880 2.799 1.962 3.856 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
819 2 26 TYR QD 2 28 PRO QG 5.630 . 5.630 3.931 3.264 4.811 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
820 2 26 TYR QE 2 27 THR HA 5.610 . 5.610 5.346 5.061 5.621 0.011 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
821 2 26 TYR QE 2 28 PRO HA 4.170 . 4.170 2.674 2.309 3.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
822 2 26 TYR QE 2 28 PRO HB2 4.780 . 4.780 4.093 3.710 4.785 0.005 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
823 2 26 TYR QE 2 28 PRO QB 4.170 . 4.170 2.620 2.149 3.656 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
824 2 26 TYR QE 2 28 PRO HB3 4.780 . 4.780 2.658 2.160 3.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
825 2 26 TYR QE 2 28 PRO HD2 5.900 . 5.900 5.297 4.809 5.705 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
826 2 26 TYR QE 2 28 PRO HD3 4.770 . 4.770 4.058 3.319 4.781 0.011 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
827 2 26 TYR QE 2 28 PRO QG 5.210 . 5.210 4.371 3.743 5.220 0.010 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
828 2 27 THR H 2 27 THR HB 3.860 . 3.860 3.577 3.335 3.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
829 2 27 THR H 2 27 THR MG 3.860 . 3.860 2.493 1.840 2.999 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
830 2 27 THR H 2 28 PRO HD2 5.140 . 5.140 4.710 4.414 5.042 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
831 2 27 THR H 2 28 PRO HD3 5.030 . 5.030 4.122 3.637 4.736 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
832 2 27 THR HA 2 28 PRO HD2 3.140 . 3.140 2.185 2.083 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
833 2 27 THR HA 2 28 PRO HD3 3.210 . 3.210 2.676 2.124 2.859 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
834 2 27 THR HA 2 28 PRO HG2 4.750 . 4.750 4.342 4.235 4.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
835 2 27 THR HA 2 28 PRO HG3 4.750 . 4.750 4.625 4.384 4.751 0.001 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
836 2 27 THR HB 2 28 PRO HD2 4.410 . 4.410 4.108 3.309 4.411 0.001 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
837 2 27 THR HB 2 28 PRO HD3 5.020 . 5.020 4.878 4.371 5.026 0.006 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
838 2 27 THR MG 2 28 PRO HD2 4.760 . 4.760 4.251 3.591 4.790 0.030 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
839 2 27 THR MG 2 28 PRO HD3 4.620 . 4.620 4.631 4.385 4.739 0.119 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
840 2 28 PRO HA 2 29 LYS H 2.740 . 2.740 2.405 2.276 2.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
841 2 28 PRO QB 2 29 LYS H 3.550 . 3.550 2.698 2.235 2.979 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
842 2 28 PRO HB2 2 29 LYS H 4.170 . 4.170 2.778 2.261 3.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
843 2 28 PRO HB3 2 29 LYS H 4.170 . 4.170 3.690 3.453 3.890 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
844 2 28 PRO QG 2 29 LYS H 4.310 . 4.310 4.163 3.706 4.328 0.018 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
845 2 29 LYS H 2 29 LYS HB2 3.900 . 3.900 3.055 2.346 3.915 0.015 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
846 2 29 LYS H 2 29 LYS QB 3.310 . 3.310 2.751 2.317 3.332 0.022 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
847 2 29 LYS H 2 29 LYS HB3 3.900 . 3.900 3.562 2.970 3.883 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
848 2 29 LYS H 2 29 LYS HG2 4.370 . 4.370 3.347 2.107 4.420 0.050 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
849 2 29 LYS H 2 29 LYS QG 3.820 . 3.820 2.721 2.072 3.827 0.007 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
850 2 29 LYS H 2 29 LYS HG3 4.370 . 4.370 3.112 2.312 4.370 0.000 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
851 2 29 LYS H 2 29 LYS QZ 4.590 . 4.590 4.276 3.585 4.618 0.028 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
852 2 29 LYS H 2 30 THR H 4.350 . 4.350 4.084 3.715 4.352 0.002 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
853 2 29 LYS H 2 30 THR HA 4.980 . 4.980 4.761 4.428 4.985 0.005 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
854 2 29 LYS H 2 30 THR MG 4.490 . 4.490 4.339 3.463 4.536 0.046 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
855 2 29 LYS HA 2 30 THR H 3.010 . 3.010 2.223 2.107 2.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
856 2 30 THR H 2 30 THR MG 4.360 . 4.360 2.636 2.142 3.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
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