NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565634 |
2ma4   |
19327 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ma4
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 1646
_Distance_constraint_stats_list.Viol_count 1075
_Distance_constraint_stats_list.Viol_total 1852.485
_Distance_constraint_stats_list.Viol_max 1.588
_Distance_constraint_stats_list.Viol_rms 0.0367
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0862
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLU 0.813 0.213 4 0 "[ . 1 . 2]"
1 3 ILE 2.132 0.213 4 0 "[ . 1 . 2]"
1 4 MET 3.345 0.207 3 0 "[ . 1 . 2]"
1 5 LYS 1.302 0.198 17 0 "[ . 1 . 2]"
1 6 LYS 1.115 0.143 5 0 "[ . 1 . 2]"
1 7 THR 0.713 0.177 3 0 "[ . 1 . 2]"
1 8 ASP 1.177 0.150 13 0 "[ . 1 . 2]"
1 9 PHE 2.055 0.207 3 0 "[ . 1 . 2]"
1 10 ASP 4.379 0.136 15 0 "[ . 1 . 2]"
1 11 LYS 0.698 0.177 3 0 "[ . 1 . 2]"
1 12 VAL 2.139 0.093 20 0 "[ . 1 . 2]"
1 13 ALA 5.340 0.136 15 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 2.837 0.164 17 0 "[ . 1 . 2]"
1 16 TYR 9.297 0.378 11 0 "[ . 1 . 2]"
1 17 THR 4.327 0.246 15 0 "[ . 1 . 2]"
1 18 LYS 0.675 0.158 9 0 "[ . 1 . 2]"
1 19 ILE 2.603 0.253 15 0 "[ . 1 . 2]"
1 20 GLY 0.875 0.074 15 0 "[ . 1 . 2]"
1 21 THR 2.088 0.253 1 0 "[ . 1 . 2]"
1 22 ILE 1.252 0.102 9 0 "[ . 1 . 2]"
1 23 SER 0.890 0.260 3 0 "[ . 1 . 2]"
1 24 THR 0.320 0.260 3 0 "[ . 1 . 2]"
1 25 THR 0.522 0.177 14 0 "[ . 1 . 2]"
1 26 GLY 0.781 0.244 2 0 "[ . 1 . 2]"
1 27 GLU 0.532 0.155 13 0 "[ . 1 . 2]"
1 28 MET 1.194 0.244 2 0 "[ . 1 . 2]"
1 29 SER 0.174 0.137 13 0 "[ . 1 . 2]"
1 30 PRO 0.536 0.102 12 0 "[ . 1 . 2]"
1 31 LEU 0.631 0.204 4 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ALA 1.224 0.109 14 0 "[ . 1 . 2]"
1 34 ARG 1.496 0.204 4 0 "[ . 1 . 2]"
1 35 GLU 1.396 0.106 15 0 "[ . 1 . 2]"
1 36 ASP 1.990 0.175 6 0 "[ . 1 . 2]"
1 37 LEU 2.372 0.162 12 0 "[ . 1 . 2]"
1 38 ILE 2.480 0.185 12 0 "[ . 1 . 2]"
1 39 LYS 3.435 0.152 1 0 "[ . 1 . 2]"
1 40 LYS 3.346 0.121 19 0 "[ . 1 . 2]"
1 41 ALA 1.371 0.101 19 0 "[ . 1 . 2]"
1 42 ASP 2.330 0.141 6 0 "[ . 1 . 2]"
1 43 GLU 2.046 0.152 1 0 "[ . 1 . 2]"
1 44 LYS 1.671 0.120 3 0 "[ . 1 . 2]"
1 45 GLY 2.041 0.141 6 0 "[ . 1 . 2]"
1 46 ALA 0.174 0.053 5 0 "[ . 1 . 2]"
1 47 ASP 29.222 1.588 6 10 "[* **.+** 1* * .* - 2]"
1 48 VAL 3.459 0.153 20 0 "[ . 1 . 2]"
1 49 VAL 0.871 0.068 7 0 "[ . 1 . 2]"
1 50 VAL 1.926 0.135 13 0 "[ . 1 . 2]"
1 51 LEU 2.266 0.286 15 0 "[ . 1 . 2]"
1 52 THR 0.496 0.286 15 0 "[ . 1 . 2]"
1 53 SER 0.326 0.170 13 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLN 2.079 0.361 12 0 "[ . 1 . 2]"
1 56 THR 2.281 0.361 12 0 "[ . 1 . 2]"
1 57 GLU 0.885 0.175 3 0 "[ . 1 . 2]"
1 58 ASN 1.352 0.158 13 0 "[ . 1 . 2]"
1 59 LYS 1.173 0.158 13 0 "[ . 1 . 2]"
1 60 ILE 1.242 0.155 13 0 "[ . 1 . 2]"
1 61 HIS 1.439 0.252 7 0 "[ . 1 . 2]"
1 62 GLY 0.395 0.111 16 0 "[ . 1 . 2]"
1 63 THR 2.616 0.253 1 0 "[ . 1 . 2]"
1 64 ALA 0.870 0.062 12 0 "[ . 1 . 2]"
1 65 ASP 2.181 0.158 9 0 "[ . 1 . 2]"
1 66 ILE 2.771 0.110 6 0 "[ . 1 . 2]"
1 67 TYR 3.978 0.113 13 0 "[ . 1 . 2]"
1 68 LYS 4.705 0.253 15 0 "[ . 1 . 2]"
1 69 LYS 33.250 1.588 6 10 "[* **.+** 1* * .* - 2]"
1 70 LYS 1.352 0.246 15 0 "[ . 1 . 2]"
1 71 LEU 0.715 0.129 12 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 HIS 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 1 ALA HA 1 2 GLU H 3.700 . 3.700 2.303 2.166 2.639 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 GLU HA 6.380 . 6.380 4.520 4.438 4.608 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 GLU QG 6.520 . 6.520 3.816 3.556 3.986 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA HA 1 38 ILE MG 5.590 . 5.590 4.389 3.995 4.847 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA HA 1 47 ASP HA 4.450 . 4.450 3.119 2.629 3.593 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 2 GLU H 4.010 . 4.010 3.057 2.113 3.668 . 0 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 2 GLU HA 5.990 . 5.990 4.282 3.983 4.505 . 0 0 "[ . 1 . 2]" 1
8 1 1 ALA MB 1 38 ILE HA 4.380 . 4.380 2.450 2.167 2.731 . 0 0 "[ . 1 . 2]" 1
9 1 1 ALA MB 1 38 ILE HG12 6.070 . 6.070 3.425 2.963 3.918 . 0 0 "[ . 1 . 2]" 1
10 1 1 ALA MB 1 38 ILE HG13 6.360 . 6.360 4.504 4.180 4.815 . 0 0 "[ . 1 . 2]" 1
11 1 1 ALA MB 1 38 ILE MG 3.980 . 3.980 2.227 1.746 2.671 . 0 0 "[ . 1 . 2]" 1
12 1 1 ALA MB 1 42 ASP H 5.130 . 5.130 2.997 2.718 3.567 . 0 0 "[ . 1 . 2]" 1
13 1 1 ALA MB 1 42 ASP HA 5.270 . 5.270 2.807 2.415 3.587 . 0 0 "[ . 1 . 2]" 1
14 1 1 ALA MB 1 42 ASP QB 6.580 . 6.580 2.627 2.034 4.130 . 0 0 "[ . 1 . 2]" 1
15 1 1 ALA MB 1 47 ASP H 6.010 . 6.010 4.997 4.488 5.736 . 0 0 "[ . 1 . 2]" 1
16 1 1 ALA MB 1 47 ASP HA 4.810 . 4.810 4.011 3.321 4.769 . 0 0 "[ . 1 . 2]" 1
17 1 1 ALA MB 1 48 VAL H 5.780 . 5.780 4.695 4.119 5.386 . 0 0 "[ . 1 . 2]" 1
18 1 1 ALA MB 1 48 VAL HA 4.970 . 4.970 4.162 3.684 4.756 . 0 0 "[ . 1 . 2]" 1
19 1 1 ALA MB 1 49 VAL H 5.720 . 5.720 4.103 3.671 4.629 . 0 0 "[ . 1 . 2]" 1
20 1 1 ALA MB 1 49 VAL HB 5.730 . 5.730 4.331 4.065 4.561 . 0 0 "[ . 1 . 2]" 1
21 1 1 ALA MB 1 49 VAL MG2 3.840 . 3.840 2.032 1.922 2.288 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLU H 1 2 GLU QG 4.510 . 4.510 2.213 1.992 2.527 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLU H 1 3 ILE H 5.680 . 5.680 4.468 4.314 4.590 . 0 0 "[ . 1 . 2]" 1
24 1 2 GLU H 1 38 ILE MD 6.830 . 6.830 5.538 4.377 6.283 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLU H 1 38 ILE HG12 6.650 . 6.650 4.871 3.656 5.691 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLU H 1 38 ILE MG 6.380 . 6.380 4.786 3.926 5.656 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLU H 1 48 VAL HA 3.960 . 3.960 2.574 2.140 3.212 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLU H 1 48 VAL MG1 5.800 . 5.800 4.374 4.044 4.798 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLU H 1 48 VAL MG2 5.450 . 5.450 3.900 3.265 4.433 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLU H 1 49 VAL H 5.150 . 5.150 3.396 2.684 3.937 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLU H 1 49 VAL MG2 5.460 . 5.460 3.108 2.161 3.804 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLU HA 1 3 ILE H 3.530 . 3.530 2.250 2.145 2.371 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLU HA 1 3 ILE HB 5.740 . 5.740 4.649 4.475 4.852 . 0 0 "[ . 1 . 2]" 1
34 1 2 GLU HA 1 3 ILE HG12 6.520 . 6.520 3.882 3.743 4.133 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLU HA 1 3 ILE QG 5.630 . 5.630 3.810 3.678 4.048 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLU HA 1 3 ILE HG13 6.520 . 6.520 5.529 5.390 5.786 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLU HA 1 38 ILE MD 5.080 . 5.080 3.676 2.331 4.880 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLU QB 1 3 ILE H 4.180 . 4.180 2.943 2.598 3.405 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLU QB 1 48 VAL HA 5.430 . 5.430 4.156 2.675 4.835 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLU QB 1 48 VAL MG1 5.620 . 5.620 4.451 3.008 5.275 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLU QB 1 48 VAL MG2 4.830 . 4.830 3.955 2.054 4.893 0.063 5 0 "[ . 1 . 2]" 1
42 1 2 GLU HB2 1 3 ILE H 4.760 . 4.760 3.120 2.639 4.339 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLU HB2 1 48 VAL HA 6.280 . 6.280 4.684 2.702 5.428 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLU HB2 1 48 VAL MG1 6.420 . 6.420 4.766 3.064 5.707 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLU HB2 1 48 VAL MG2 5.630 . 5.630 4.425 2.066 5.503 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLU HB3 1 3 ILE H 4.760 . 4.760 3.973 3.531 4.207 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLU HB3 1 48 VAL HA 6.280 . 6.280 4.793 4.300 5.426 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLU HB3 1 48 VAL MG1 6.420 . 6.420 5.396 4.385 6.209 . 0 0 "[ . 1 . 2]" 1
49 1 2 GLU HB3 1 48 VAL MG2 5.630 . 5.630 4.597 3.618 5.482 . 0 0 "[ . 1 . 2]" 1
50 1 2 GLU QG 1 3 ILE H 4.790 . 4.790 4.094 3.603 4.968 0.178 13 0 "[ . 1 . 2]" 1
51 1 2 GLU QG 1 3 ILE HA 6.480 . 6.480 4.704 4.164 6.271 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLU QG 1 3 ILE MD 6.150 . 6.150 5.577 5.216 6.363 0.213 4 0 "[ . 1 . 2]" 1
53 1 2 GLU QG 1 4 MET H 6.830 . 6.830 4.773 4.049 6.625 . 0 0 "[ . 1 . 2]" 1
54 1 2 GLU QG 1 16 TYR QE 6.210 . 6.210 5.276 4.708 5.874 . 0 0 "[ . 1 . 2]" 1
55 1 2 GLU QG 1 48 VAL HA 5.520 . 5.520 2.641 2.119 4.027 . 0 0 "[ . 1 . 2]" 1
56 1 2 GLU QG 1 48 VAL MG1 5.570 . 5.570 3.094 2.287 5.021 . 0 0 "[ . 1 . 2]" 1
57 1 2 GLU QG 1 48 VAL MG2 4.830 . 4.830 2.450 2.061 3.418 . 0 0 "[ . 1 . 2]" 1
58 1 2 GLU QG 1 49 VAL H 6.830 . 6.830 3.678 3.142 5.284 . 0 0 "[ . 1 . 2]" 1
59 1 2 GLU O 1 49 VAL H 1.900 . 2.000 1.951 1.898 2.009 0.009 20 0 "[ . 1 . 2]" 1
60 1 2 GLU O 1 49 VAL N 2.850 2.700 3.000 2.880 2.764 2.954 . 0 0 "[ . 1 . 2]" 1
61 1 3 ILE H 1 3 ILE HB 3.690 . 3.690 2.458 2.346 2.659 . 0 0 "[ . 1 . 2]" 1
62 1 3 ILE H 1 3 ILE MD 4.880 . 4.880 3.620 3.305 3.882 . 0 0 "[ . 1 . 2]" 1
63 1 3 ILE H 1 3 ILE HG12 4.550 . 4.550 2.518 2.245 2.814 . 0 0 "[ . 1 . 2]" 1
64 1 3 ILE H 1 3 ILE QG 3.960 . 3.960 2.484 2.227 2.763 . 0 0 "[ . 1 . 2]" 1
65 1 3 ILE H 1 3 ILE HG13 4.550 . 4.550 3.827 3.700 4.037 . 0 0 "[ . 1 . 2]" 1
66 1 3 ILE H 1 38 ILE MD 5.300 . 5.300 3.429 2.362 4.103 . 0 0 "[ . 1 . 2]" 1
67 1 3 ILE H 1 38 ILE HG12 5.730 . 5.730 3.832 3.368 4.330 . 0 0 "[ . 1 . 2]" 1
68 1 3 ILE HA 1 3 ILE MD 3.940 . 3.940 2.096 1.998 2.208 . 0 0 "[ . 1 . 2]" 1
69 1 3 ILE HA 1 4 MET H 3.580 . 3.580 2.157 2.101 2.213 . 0 0 "[ . 1 . 2]" 1
70 1 3 ILE HA 1 4 MET HB3 6.240 . 6.240 5.834 5.687 5.922 . 0 0 "[ . 1 . 2]" 1
71 1 3 ILE HA 1 48 VAL MG1 4.790 . 4.790 4.257 3.835 4.796 0.006 10 0 "[ . 1 . 2]" 1
72 1 3 ILE HA 1 49 VAL HB 4.050 . 4.050 2.482 2.320 2.978 . 0 0 "[ . 1 . 2]" 1
73 1 3 ILE HA 1 49 VAL MG1 4.940 . 4.940 3.909 3.567 4.494 . 0 0 "[ . 1 . 2]" 1
74 1 3 ILE HA 1 49 VAL MG2 5.450 . 5.450 3.646 3.412 3.972 . 0 0 "[ . 1 . 2]" 1
75 1 3 ILE MD 1 4 MET H 4.300 . 4.300 3.708 3.451 3.989 . 0 0 "[ . 1 . 2]" 1
76 1 3 ILE MD 1 34 ARG HA 5.530 . 5.530 2.529 2.323 2.971 . 0 0 "[ . 1 . 2]" 1
77 1 3 ILE MD 1 34 ARG HG2 5.970 . 5.970 2.837 2.421 3.669 . 0 0 "[ . 1 . 2]" 1
78 1 3 ILE MD 1 37 LEU H 6.500 . 6.500 4.288 3.968 4.570 . 0 0 "[ . 1 . 2]" 1
79 1 3 ILE MD 1 38 ILE H 5.160 . 5.160 3.224 2.779 3.416 . 0 0 "[ . 1 . 2]" 1
80 1 3 ILE MD 1 38 ILE HA 4.840 . 4.840 3.748 3.121 4.076 . 0 0 "[ . 1 . 2]" 1
81 1 3 ILE MD 1 38 ILE HG13 3.580 . 3.580 2.238 1.977 2.554 . 0 0 "[ . 1 . 2]" 1
82 1 3 ILE MD 1 49 VAL H 4.490 . 4.490 4.013 3.412 4.441 . 0 0 "[ . 1 . 2]" 1
83 1 3 ILE MD 1 49 VAL HA 5.160 . 5.160 4.503 4.310 4.728 . 0 0 "[ . 1 . 2]" 1
84 1 3 ILE MD 1 49 VAL HB 4.130 . 4.130 1.837 1.671 2.205 . 0 0 "[ . 1 . 2]" 1
85 1 3 ILE QG 1 4 MET H 5.480 . 5.480 4.713 4.562 4.840 . 0 0 "[ . 1 . 2]" 1
86 1 3 ILE QG 1 38 ILE H 6.350 . 6.350 4.398 4.078 4.742 . 0 0 "[ . 1 . 2]" 1
87 1 3 ILE QG 1 38 ILE MD 4.320 . 4.320 2.079 1.748 2.638 . 0 0 "[ . 1 . 2]" 1
88 1 3 ILE QG 1 49 VAL H 6.580 . 6.580 5.256 4.889 5.667 . 0 0 "[ . 1 . 2]" 1
89 1 3 ILE MG 1 4 MET H 5.690 . 5.690 2.980 2.720 3.329 . 0 0 "[ . 1 . 2]" 1
90 1 3 ILE MG 1 34 ARG H 6.450 . 6.450 5.523 4.989 5.996 . 0 0 "[ . 1 . 2]" 1
91 1 3 ILE MG 1 34 ARG HA 4.430 . 4.430 4.034 3.415 4.462 0.032 17 0 "[ . 1 . 2]" 1
92 1 3 ILE MG 1 34 ARG HB2 5.000 . 5.000 4.503 3.813 4.884 . 0 0 "[ . 1 . 2]" 1
93 1 3 ILE MG 1 34 ARG HB3 4.220 . 4.220 3.378 2.442 3.799 . 0 0 "[ . 1 . 2]" 1
94 1 3 ILE MG 1 34 ARG HD2 5.510 . 5.510 3.478 2.745 4.367 . 0 0 "[ . 1 . 2]" 1
95 1 3 ILE MG 1 34 ARG QD 4.820 . 4.820 2.760 2.235 3.275 . 0 0 "[ . 1 . 2]" 1
96 1 3 ILE MG 1 34 ARG HD3 5.510 . 5.510 3.346 2.250 4.384 . 0 0 "[ . 1 . 2]" 1
97 1 3 ILE MG 1 34 ARG HE 6.070 . 6.070 2.759 1.865 4.469 . 0 0 "[ . 1 . 2]" 1
98 1 3 ILE MG 1 34 ARG HG2 4.300 . 4.300 2.395 1.825 3.067 . 0 0 "[ . 1 . 2]" 1
99 1 3 ILE MG 1 34 ARG HG3 4.950 . 4.950 3.855 3.357 4.541 . 0 0 "[ . 1 . 2]" 1
100 1 3 ILE MG 1 37 LEU HB2 5.720 . 5.720 5.175 4.274 5.642 . 0 0 "[ . 1 . 2]" 1
101 1 3 ILE MG 1 38 ILE H 6.200 . 6.200 6.194 5.494 6.380 0.180 12 0 "[ . 1 . 2]" 1
102 1 3 ILE MG 1 49 VAL HB 5.180 . 5.180 3.903 3.454 4.347 . 0 0 "[ . 1 . 2]" 1
103 1 4 MET H 1 4 MET HB2 4.280 . 4.280 2.758 2.638 2.893 . 0 0 "[ . 1 . 2]" 1
104 1 4 MET H 1 4 MET ME 5.800 . 5.800 4.843 4.286 5.318 . 0 0 "[ . 1 . 2]" 1
105 1 4 MET H 1 4 MET HG3 5.180 . 5.180 3.397 3.048 4.200 . 0 0 "[ . 1 . 2]" 1
106 1 4 MET H 1 49 VAL O 1.900 . 2.000 2.029 1.943 2.068 0.068 7 0 "[ . 1 . 2]" 1
107 1 4 MET H 1 50 VAL HA 5.000 . 5.000 3.276 2.625 3.668 . 0 0 "[ . 1 . 2]" 1
108 1 4 MET H 1 50 VAL MG2 5.620 . 5.620 4.280 3.263 4.760 . 0 0 "[ . 1 . 2]" 1
109 1 4 MET HA 1 4 MET ME 4.970 . 4.970 4.200 3.690 4.586 . 0 0 "[ . 1 . 2]" 1
110 1 4 MET HA 1 4 MET HG2 4.350 . 4.350 2.591 2.435 3.043 . 0 0 "[ . 1 . 2]" 1
111 1 4 MET HA 1 5 LYS H 3.480 . 3.480 2.267 2.162 2.446 . 0 0 "[ . 1 . 2]" 1
112 1 4 MET HA 1 8 ASP QB 6.420 . 6.420 4.100 3.431 5.421 . 0 0 "[ . 1 . 2]" 1
113 1 4 MET HA 1 48 VAL MG1 6.200 . 6.200 4.654 4.343 5.002 . 0 0 "[ . 1 . 2]" 1
114 1 4 MET HB2 1 5 LYS H 5.050 . 5.050 3.959 3.562 4.324 . 0 0 "[ . 1 . 2]" 1
115 1 4 MET HB2 1 8 ASP QB 6.110 . 6.110 4.596 3.486 6.232 0.122 17 0 "[ . 1 . 2]" 1
116 1 4 MET HB2 1 9 PHE H 5.700 . 5.700 4.704 4.218 5.386 . 0 0 "[ . 1 . 2]" 1
117 1 4 MET HB2 1 9 PHE HA 6.570 . 6.570 4.396 3.800 5.214 . 0 0 "[ . 1 . 2]" 1
118 1 4 MET HB2 1 9 PHE HB2 5.190 . 5.190 2.977 2.485 3.500 . 0 0 "[ . 1 . 2]" 1
119 1 4 MET HB2 1 9 PHE HB3 6.150 . 6.150 4.588 3.919 5.175 . 0 0 "[ . 1 . 2]" 1
120 1 4 MET HB2 1 9 PHE QD 4.550 . 4.550 3.730 3.177 4.623 0.073 12 0 "[ . 1 . 2]" 1
121 1 4 MET HB2 1 48 VAL MG1 4.300 . 4.300 2.446 2.144 2.778 . 0 0 "[ . 1 . 2]" 1
122 1 4 MET HB2 1 48 VAL MG2 5.930 . 5.930 4.323 3.923 4.783 . 0 0 "[ . 1 . 2]" 1
123 1 4 MET HB2 1 50 VAL HA 6.570 . 6.570 3.504 3.034 3.893 . 0 0 "[ . 1 . 2]" 1
124 1 4 MET HB2 1 50 VAL MG1 5.990 . 5.990 4.181 3.381 4.627 . 0 0 "[ . 1 . 2]" 1
125 1 4 MET HB2 1 50 VAL MG2 4.850 . 4.850 3.215 2.037 3.951 . 0 0 "[ . 1 . 2]" 1
126 1 4 MET HB3 1 5 LYS H 4.410 . 4.410 2.898 2.350 3.499 . 0 0 "[ . 1 . 2]" 1
127 1 4 MET HB3 1 5 LYS HA 5.220 . 5.220 4.831 4.544 5.135 . 0 0 "[ . 1 . 2]" 1
128 1 4 MET HB3 1 8 ASP HA 6.830 . 6.830 5.739 4.926 6.669 . 0 0 "[ . 1 . 2]" 1
129 1 4 MET HB3 1 8 ASP QB 5.060 . 5.060 3.046 1.954 4.691 . 0 0 "[ . 1 . 2]" 1
130 1 4 MET HB3 1 9 PHE H 5.240 . 5.240 3.660 3.338 4.099 . 0 0 "[ . 1 . 2]" 1
131 1 4 MET HB3 1 9 PHE HB2 5.330 . 5.330 2.989 2.121 3.554 . 0 0 "[ . 1 . 2]" 1
132 1 4 MET HB3 1 9 PHE HB3 6.320 . 6.320 4.429 3.761 4.889 . 0 0 "[ . 1 . 2]" 1
133 1 4 MET HB3 1 9 PHE QD 6.060 . 6.060 4.236 3.307 5.102 . 0 0 "[ . 1 . 2]" 1
134 1 4 MET HB3 1 12 VAL MG2 6.280 . 6.280 5.224 4.787 5.864 . 0 0 "[ . 1 . 2]" 1
135 1 4 MET HB3 1 48 VAL MG1 5.030 . 5.030 3.715 3.347 4.142 . 0 0 "[ . 1 . 2]" 1
136 1 4 MET HB3 1 48 VAL MG2 6.830 . 6.830 5.248 4.724 5.966 . 0 0 "[ . 1 . 2]" 1
137 1 4 MET HB3 1 50 VAL HA 6.830 . 6.830 4.663 4.224 5.077 . 0 0 "[ . 1 . 2]" 1
138 1 4 MET HB3 1 50 VAL MG2 5.350 . 5.350 4.342 3.212 5.112 . 0 0 "[ . 1 . 2]" 1
139 1 4 MET ME 1 4 MET HG2 3.960 . 3.960 3.063 2.466 3.441 . 0 0 "[ . 1 . 2]" 1
140 1 4 MET ME 1 5 LYS H 5.550 . 5.550 4.658 3.687 5.398 . 0 0 "[ . 1 . 2]" 1
141 1 4 MET ME 1 8 ASP HA 5.660 . 5.660 5.089 4.093 5.714 0.054 16 0 "[ . 1 . 2]" 1
142 1 4 MET ME 1 8 ASP QB 4.000 . 4.000 3.472 2.454 4.150 0.150 13 0 "[ . 1 . 2]" 1
143 1 4 MET ME 1 9 PHE H 5.150 . 5.150 3.621 3.137 4.194 . 0 0 "[ . 1 . 2]" 1
144 1 4 MET ME 1 9 PHE HA 4.200 . 4.200 2.175 1.863 2.560 . 0 0 "[ . 1 . 2]" 1
145 1 4 MET ME 1 9 PHE HB2 6.830 . 6.830 2.628 2.270 3.257 . 0 0 "[ . 1 . 2]" 1
146 1 4 MET ME 1 9 PHE HB3 6.780 . 6.780 3.984 3.735 4.350 . 0 0 "[ . 1 . 2]" 1
147 1 4 MET ME 1 9 PHE QD 4.660 . 4.660 2.420 1.824 3.803 . 0 0 "[ . 1 . 2]" 1
148 1 4 MET ME 1 9 PHE QE 6.280 . 6.280 4.103 3.482 5.577 . 0 0 "[ . 1 . 2]" 1
149 1 4 MET ME 1 10 ASP H 6.790 . 6.790 5.033 4.690 5.300 . 0 0 "[ . 1 . 2]" 1
150 1 4 MET ME 1 12 VAL MG1 4.290 . 4.290 4.070 3.702 4.341 0.051 20 0 "[ . 1 . 2]" 1
151 1 4 MET ME 1 12 VAL MG2 3.450 . 3.450 2.356 1.933 2.935 . 0 0 "[ . 1 . 2]" 1
152 1 4 MET ME 1 16 TYR QD 6.230 . 6.230 4.700 3.351 5.780 . 0 0 "[ . 1 . 2]" 1
153 1 4 MET ME 1 16 TYR QE 4.990 . 4.990 3.708 2.425 4.704 . 0 0 "[ . 1 . 2]" 1
154 1 4 MET ME 1 48 VAL HA 6.230 . 6.230 5.312 4.237 6.356 0.126 17 0 "[ . 1 . 2]" 1
155 1 4 MET ME 1 48 VAL MG1 4.140 . 4.140 2.708 1.724 3.713 . 0 0 "[ . 1 . 2]" 1
156 1 4 MET ME 1 48 VAL MG2 4.290 . 4.290 3.081 2.100 4.235 . 0 0 "[ . 1 . 2]" 1
157 1 4 MET HG2 1 5 LYS H 5.020 . 5.020 4.331 3.974 5.021 0.001 17 0 "[ . 1 . 2]" 1
158 1 4 MET HG2 1 9 PHE H 6.240 . 6.240 6.067 5.797 6.447 0.207 3 0 "[ . 1 . 2]" 1
159 1 4 MET HG2 1 48 VAL MG1 5.340 . 5.340 3.858 2.336 4.517 . 0 0 "[ . 1 . 2]" 1
160 1 4 MET HG3 1 5 LYS H 5.550 . 5.550 5.144 4.860 5.664 0.114 20 0 "[ . 1 . 2]" 1
161 1 4 MET HG3 1 48 VAL MG1 4.610 . 4.610 2.583 1.981 3.122 . 0 0 "[ . 1 . 2]" 1
162 1 4 MET HG3 1 48 VAL MG2 5.240 . 5.240 3.531 2.722 4.237 . 0 0 "[ . 1 . 2]" 1
163 1 4 MET HG3 1 50 VAL MG2 6.560 . 6.560 4.884 3.760 5.501 . 0 0 "[ . 1 . 2]" 1
164 1 4 MET N 1 49 VAL O 2.850 2.700 3.000 2.994 2.908 3.047 0.047 11 0 "[ . 1 . 2]" 1
165 1 4 MET O 1 51 LEU H 1.900 . 2.000 2.037 1.952 2.104 0.104 10 0 "[ . 1 . 2]" 1
166 1 4 MET O 1 51 LEU N 2.850 2.700 3.000 2.965 2.856 3.064 0.064 10 0 "[ . 1 . 2]" 1
167 1 5 LYS H 1 5 LYS HB2 4.050 . 4.050 2.467 2.152 2.663 . 0 0 "[ . 1 . 2]" 1
168 1 5 LYS H 1 5 LYS QD 5.580 . 5.580 4.104 3.669 4.807 . 0 0 "[ . 1 . 2]" 1
169 1 5 LYS H 1 5 LYS HG2 4.660 . 4.660 3.618 2.388 4.480 . 0 0 "[ . 1 . 2]" 1
170 1 5 LYS H 1 5 LYS QG 3.870 . 3.870 2.685 2.119 4.068 0.198 17 0 "[ . 1 . 2]" 1
171 1 5 LYS H 1 5 LYS HG3 4.660 . 4.660 2.966 2.142 4.665 0.005 17 0 "[ . 1 . 2]" 1
172 1 5 LYS H 1 8 ASP QB 4.680 . 4.680 2.974 2.354 4.337 . 0 0 "[ . 1 . 2]" 1
173 1 5 LYS HA 1 5 LYS QD 4.750 . 4.750 3.691 2.096 4.307 . 0 0 "[ . 1 . 2]" 1
174 1 5 LYS HA 1 6 LYS H 3.550 . 3.550 2.390 2.231 2.531 . 0 0 "[ . 1 . 2]" 1
175 1 5 LYS HA 1 50 VAL MG1 5.280 . 5.280 3.864 2.801 4.485 . 0 0 "[ . 1 . 2]" 1
176 1 5 LYS HA 1 51 LEU H 5.870 . 5.870 2.998 2.382 3.530 . 0 0 "[ . 1 . 2]" 1
177 1 5 LYS HA 1 51 LEU MD1 5.540 . 5.540 3.787 2.675 5.032 . 0 0 "[ . 1 . 2]" 1
178 1 5 LYS HB2 1 6 LYS H 5.720 . 5.720 3.804 3.280 4.297 . 0 0 "[ . 1 . 2]" 1
179 1 5 LYS HB2 1 7 THR H 4.850 . 4.850 3.914 2.903 4.964 0.114 7 0 "[ . 1 . 2]" 1
180 1 5 LYS HB2 1 8 ASP H 4.500 . 4.500 3.215 2.318 4.648 0.148 17 0 "[ . 1 . 2]" 1
181 1 5 LYS HB2 1 8 ASP QB 5.110 . 5.110 3.317 2.285 5.177 0.067 17 0 "[ . 1 . 2]" 1
182 1 5 LYS HB3 1 6 LYS H 5.390 . 5.390 2.790 2.257 3.729 . 0 0 "[ . 1 . 2]" 1
183 1 5 LYS HB3 1 7 THR H 4.540 . 4.540 3.199 2.409 3.671 . 0 0 "[ . 1 . 2]" 1
184 1 5 LYS HB3 1 7 THR MG 5.880 . 5.880 4.882 2.475 5.980 0.100 5 0 "[ . 1 . 2]" 1
185 1 5 LYS HB3 1 8 ASP H 4.800 . 4.800 3.623 2.858 4.251 . 0 0 "[ . 1 . 2]" 1
186 1 5 LYS HB3 1 8 ASP QB 5.620 . 5.620 4.313 3.261 5.264 . 0 0 "[ . 1 . 2]" 1
187 1 5 LYS HB3 1 9 PHE H 6.060 . 6.060 5.087 4.310 5.638 . 0 0 "[ . 1 . 2]" 1
188 1 5 LYS QD 1 6 LYS H 5.820 . 5.820 4.088 1.691 5.295 . 0 0 "[ . 1 . 2]" 1
189 1 5 LYS QD 1 7 THR H 6.790 . 6.790 4.384 1.811 5.589 . 0 0 "[ . 1 . 2]" 1
190 1 5 LYS QD 1 8 ASP H 6.830 . 6.830 4.675 3.367 6.041 . 0 0 "[ . 1 . 2]" 1
191 1 5 LYS QD 1 8 ASP QB 6.440 . 6.440 4.780 3.247 5.878 . 0 0 "[ . 1 . 2]" 1
192 1 5 LYS QG 1 6 LYS H 5.230 . 5.230 3.870 2.338 4.612 . 0 0 "[ . 1 . 2]" 1
193 1 5 LYS QG 1 7 THR H 6.050 . 6.050 4.913 3.879 5.508 . 0 0 "[ . 1 . 2]" 1
194 1 5 LYS QG 1 8 ASP H 5.650 . 5.650 4.851 4.121 5.385 . 0 0 "[ . 1 . 2]" 1
195 1 5 LYS HG2 1 8 ASP H 6.420 . 6.420 5.733 4.862 6.283 . 0 0 "[ . 1 . 2]" 1
196 1 5 LYS HG2 1 8 ASP QB 6.830 . 6.830 5.534 4.475 6.846 0.016 17 0 "[ . 1 . 2]" 1
197 1 5 LYS HG3 1 8 ASP H 6.420 . 6.420 5.245 4.451 5.858 . 0 0 "[ . 1 . 2]" 1
198 1 5 LYS HG3 1 8 ASP QB 6.830 . 6.830 4.735 3.658 6.157 . 0 0 "[ . 1 . 2]" 1
199 1 5 LYS O 1 9 PHE H 1.900 . 2.000 2.006 1.939 2.055 0.055 1 0 "[ . 1 . 2]" 1
200 1 5 LYS O 1 9 PHE N 2.850 2.700 3.000 2.922 2.817 3.015 0.015 1 0 "[ . 1 . 2]" 1
201 1 6 LYS H 1 6 LYS QB 3.650 . 3.650 2.196 2.117 2.304 . 0 0 "[ . 1 . 2]" 1
202 1 6 LYS H 1 7 THR H 4.560 . 4.560 2.803 2.590 2.958 . 0 0 "[ . 1 . 2]" 1
203 1 6 LYS H 1 50 VAL MG1 4.690 . 4.690 3.374 2.941 3.701 . 0 0 "[ . 1 . 2]" 1
204 1 6 LYS HA 1 6 LYS HD2 5.420 . 5.420 3.238 2.071 4.501 . 0 0 "[ . 1 . 2]" 1
205 1 6 LYS HA 1 6 LYS QD 4.690 . 4.690 2.614 1.998 3.426 . 0 0 "[ . 1 . 2]" 1
206 1 6 LYS HA 1 6 LYS HD3 5.420 . 5.420 3.185 2.017 4.109 . 0 0 "[ . 1 . 2]" 1
207 1 6 LYS HA 1 8 ASP H 6.660 . 6.660 4.593 4.295 4.917 . 0 0 "[ . 1 . 2]" 1
208 1 6 LYS HA 1 9 PHE H 4.850 . 4.850 3.668 3.236 4.060 . 0 0 "[ . 1 . 2]" 1
209 1 6 LYS HA 1 9 PHE HB2 4.710 . 4.710 3.745 3.152 4.382 . 0 0 "[ . 1 . 2]" 1
210 1 6 LYS HA 1 9 PHE HB3 4.150 . 4.150 2.542 2.144 3.116 . 0 0 "[ . 1 . 2]" 1
211 1 6 LYS HA 1 9 PHE QD 5.510 . 5.510 3.591 3.064 4.191 . 0 0 "[ . 1 . 2]" 1
212 1 6 LYS HA 1 10 ASP H 5.280 . 5.280 4.058 3.701 4.347 . 0 0 "[ . 1 . 2]" 1
213 1 6 LYS HA 1 50 VAL MG1 3.960 . 3.960 2.082 1.903 2.258 . 0 0 "[ . 1 . 2]" 1
214 1 6 LYS HA 1 50 VAL MG2 5.530 . 5.530 4.114 3.708 4.401 . 0 0 "[ . 1 . 2]" 1
215 1 6 LYS QB 1 7 THR H 4.110 . 4.110 2.611 2.290 2.810 . 0 0 "[ . 1 . 2]" 1
216 1 6 LYS QB 1 7 THR HA 5.890 . 5.890 4.063 3.882 4.324 . 0 0 "[ . 1 . 2]" 1
217 1 6 LYS QB 1 8 ASP H 6.830 . 6.830 4.888 4.599 5.177 . 0 0 "[ . 1 . 2]" 1
218 1 6 LYS QB 1 9 PHE HB3 6.830 . 6.830 4.638 4.159 5.096 . 0 0 "[ . 1 . 2]" 1
219 1 6 LYS QB 1 9 PHE QD 6.830 . 6.830 5.162 4.457 5.844 . 0 0 "[ . 1 . 2]" 1
220 1 6 LYS QB 1 10 ASP H 6.830 . 6.830 5.225 4.533 5.448 . 0 0 "[ . 1 . 2]" 1
221 1 6 LYS QB 1 50 VAL MG1 4.220 . 4.220 2.944 2.609 3.586 . 0 0 "[ . 1 . 2]" 1
222 1 6 LYS QD 1 7 THR H 6.280 . 6.280 4.320 3.637 4.924 . 0 0 "[ . 1 . 2]" 1
223 1 6 LYS QD 1 7 THR HA 6.040 . 6.040 4.389 3.211 5.624 . 0 0 "[ . 1 . 2]" 1
224 1 6 LYS QD 1 9 PHE QD 4.810 . 4.810 3.405 1.911 4.810 . 0 0 "[ . 1 . 2]" 1
225 1 6 LYS QE 1 50 VAL MG1 5.500 . 5.500 3.759 2.290 4.829 . 0 0 "[ . 1 . 2]" 1
226 1 6 LYS QG 1 7 THR H 5.070 . 5.070 4.233 3.512 4.689 . 0 0 "[ . 1 . 2]" 1
227 1 6 LYS QG 1 7 THR HA 6.580 . 6.580 4.807 3.623 5.889 . 0 0 "[ . 1 . 2]" 1
228 1 6 LYS QG 1 9 PHE QD 4.900 . 4.900 4.188 3.413 5.043 0.143 5 0 "[ . 1 . 2]" 1
229 1 6 LYS QG 1 10 ASP H 6.370 . 6.370 5.009 4.452 5.815 . 0 0 "[ . 1 . 2]" 1
230 1 6 LYS QG 1 10 ASP QB 6.340 . 6.340 4.547 3.112 6.312 . 0 0 "[ . 1 . 2]" 1
231 1 6 LYS QG 1 50 VAL MG1 5.470 . 5.470 2.847 1.997 4.099 . 0 0 "[ . 1 . 2]" 1
232 1 6 LYS QG 1 50 VAL MG2 6.380 . 6.380 4.963 3.967 5.939 . 0 0 "[ . 1 . 2]" 1
233 1 6 LYS O 1 10 ASP H 1.900 . 2.000 2.045 2.006 2.091 0.091 10 0 "[ . 1 . 2]" 1
234 1 6 LYS O 1 10 ASP N 2.850 2.700 3.000 2.902 2.801 3.023 0.023 10 0 "[ . 1 . 2]" 1
235 1 7 THR H 1 7 THR MG 3.980 . 3.980 3.389 1.985 3.809 . 0 0 "[ . 1 . 2]" 1
236 1 7 THR H 1 8 ASP H 4.030 . 4.030 2.762 2.622 2.938 . 0 0 "[ . 1 . 2]" 1
237 1 7 THR HA 1 7 THR MG 3.600 . 3.600 2.550 2.303 3.277 . 0 0 "[ . 1 . 2]" 1
238 1 7 THR HA 1 10 ASP H 5.050 . 5.050 3.763 3.355 4.300 . 0 0 "[ . 1 . 2]" 1
239 1 7 THR HA 1 10 ASP QB 4.300 . 4.300 3.076 2.589 3.831 . 0 0 "[ . 1 . 2]" 1
240 1 7 THR HA 1 11 LYS H 6.290 . 6.290 5.103 4.576 5.714 . 0 0 "[ . 1 . 2]" 1
241 1 7 THR HA 1 11 LYS HG2 6.830 . 6.830 6.116 4.628 6.716 . 0 0 "[ . 1 . 2]" 1
242 1 7 THR HB 1 8 ASP H 4.860 . 4.860 2.855 2.374 4.084 . 0 0 "[ . 1 . 2]" 1
243 1 7 THR MG 1 8 ASP H 5.160 . 5.160 3.401 2.125 4.025 . 0 0 "[ . 1 . 2]" 1
244 1 7 THR MG 1 8 ASP HA 6.380 . 6.380 3.855 3.464 5.427 . 0 0 "[ . 1 . 2]" 1
245 1 7 THR MG 1 10 ASP QB 5.950 . 5.950 4.323 3.561 5.170 . 0 0 "[ . 1 . 2]" 1
246 1 7 THR MG 1 11 LYS QE 5.410 . 5.410 3.859 1.905 5.587 0.177 3 0 "[ . 1 . 2]" 1
247 1 8 ASP H 1 8 ASP QB 3.730 . 3.730 2.416 2.225 2.751 . 0 0 "[ . 1 . 2]" 1
248 1 8 ASP H 1 9 PHE H 3.590 . 3.590 2.525 2.380 2.698 . 0 0 "[ . 1 . 2]" 1
249 1 8 ASP H 1 10 ASP H 5.500 . 5.500 4.096 3.885 4.440 . 0 0 "[ . 1 . 2]" 1
250 1 8 ASP HA 1 11 LYS H 5.040 . 5.040 4.159 3.657 4.629 . 0 0 "[ . 1 . 2]" 1
251 1 8 ASP HA 1 11 LYS HB2 5.450 . 5.450 4.304 3.424 5.047 . 0 0 "[ . 1 . 2]" 1
252 1 8 ASP HA 1 11 LYS HB3 6.640 . 6.640 5.532 4.738 6.272 . 0 0 "[ . 1 . 2]" 1
253 1 8 ASP HA 1 11 LYS QD 4.590 . 4.590 3.318 1.868 4.713 0.123 19 0 "[ . 1 . 2]" 1
254 1 8 ASP HA 1 11 LYS QE 5.180 . 5.180 2.964 1.768 4.555 . 0 0 "[ . 1 . 2]" 1
255 1 8 ASP HA 1 11 LYS HG2 6.060 . 6.060 4.552 2.815 5.794 . 0 0 "[ . 1 . 2]" 1
256 1 8 ASP HA 1 11 LYS HG3 5.760 . 5.760 3.368 2.657 4.180 . 0 0 "[ . 1 . 2]" 1
257 1 8 ASP QB 1 9 PHE H 4.150 . 4.150 2.617 2.392 3.380 . 0 0 "[ . 1 . 2]" 1
258 1 8 ASP QB 1 11 LYS QD 6.830 . 6.830 4.736 3.450 6.267 . 0 0 "[ . 1 . 2]" 1
259 1 8 ASP QB 1 11 LYS HG3 6.830 . 6.830 5.155 4.682 5.838 . 0 0 "[ . 1 . 2]" 1
260 1 9 PHE H 1 9 PHE HB2 3.960 . 3.960 2.673 2.522 2.842 . 0 0 "[ . 1 . 2]" 1
261 1 9 PHE H 1 9 PHE HB3 4.380 . 4.380 2.410 2.336 2.522 . 0 0 "[ . 1 . 2]" 1
262 1 9 PHE H 1 12 VAL MG2 6.390 . 6.390 4.794 4.511 5.234 . 0 0 "[ . 1 . 2]" 1
263 1 9 PHE H 1 50 VAL MG1 5.540 . 5.540 4.197 3.761 4.712 . 0 0 "[ . 1 . 2]" 1
264 1 9 PHE HA 1 9 PHE QD 3.500 . 3.500 2.701 2.457 2.858 . 0 0 "[ . 1 . 2]" 1
265 1 9 PHE HA 1 11 LYS H 6.060 . 6.060 4.308 4.131 4.589 . 0 0 "[ . 1 . 2]" 1
266 1 9 PHE HA 1 12 VAL H 5.250 . 5.250 3.760 3.625 4.033 . 0 0 "[ . 1 . 2]" 1
267 1 9 PHE HA 1 12 VAL MG1 5.490 . 5.490 4.781 4.463 5.303 . 0 0 "[ . 1 . 2]" 1
268 1 9 PHE HA 1 12 VAL MG2 3.710 . 3.710 2.624 2.376 3.014 . 0 0 "[ . 1 . 2]" 1
269 1 9 PHE HA 1 50 VAL MG2 6.230 . 6.230 4.566 3.813 4.990 . 0 0 "[ . 1 . 2]" 1
270 1 9 PHE HB2 1 12 VAL MG2 6.440 . 6.440 4.450 4.238 4.852 . 0 0 "[ . 1 . 2]" 1
271 1 9 PHE HB2 1 48 VAL MG1 6.200 . 6.200 3.452 2.981 4.105 . 0 0 "[ . 1 . 2]" 1
272 1 9 PHE HB2 1 50 VAL MG1 5.200 . 5.200 3.002 2.370 3.713 . 0 0 "[ . 1 . 2]" 1
273 1 9 PHE HB2 1 50 VAL MG2 4.790 . 4.790 2.808 2.107 3.262 . 0 0 "[ . 1 . 2]" 1
274 1 9 PHE HB3 1 10 ASP H 4.330 . 4.330 2.760 2.552 2.929 . 0 0 "[ . 1 . 2]" 1
275 1 9 PHE HB3 1 12 VAL MG2 6.450 . 6.450 4.919 4.734 5.273 . 0 0 "[ . 1 . 2]" 1
276 1 9 PHE HB3 1 50 VAL MG1 5.010 . 5.010 2.651 2.364 3.230 . 0 0 "[ . 1 . 2]" 1
277 1 9 PHE HB3 1 50 VAL MG2 5.100 . 5.100 3.386 2.891 3.718 . 0 0 "[ . 1 . 2]" 1
278 1 9 PHE QD 1 10 ASP H 4.180 . 4.180 3.557 3.204 3.789 . 0 0 "[ . 1 . 2]" 1
279 1 9 PHE QD 1 10 ASP HA 4.490 . 4.490 3.334 2.992 3.813 . 0 0 "[ . 1 . 2]" 1
280 1 9 PHE QD 1 10 ASP QB 6.430 . 6.430 4.283 3.466 5.167 . 0 0 "[ . 1 . 2]" 1
281 1 9 PHE QD 1 12 VAL MG2 3.980 . 3.980 3.241 2.953 3.512 . 0 0 "[ . 1 . 2]" 1
282 1 9 PHE QD 1 13 ALA MB 4.470 . 4.470 3.322 3.037 3.891 . 0 0 "[ . 1 . 2]" 1
283 1 9 PHE QD 1 48 VAL HB 6.440 . 6.440 4.166 3.477 4.780 . 0 0 "[ . 1 . 2]" 1
284 1 9 PHE QD 1 48 VAL MG1 3.690 . 3.690 2.305 2.008 3.229 . 0 0 "[ . 1 . 2]" 1
285 1 9 PHE QD 1 48 VAL MG2 4.540 . 4.540 3.460 2.752 4.643 0.103 19 0 "[ . 1 . 2]" 1
286 1 9 PHE QD 1 50 VAL HB 6.600 . 6.600 4.840 4.502 5.240 . 0 0 "[ . 1 . 2]" 1
287 1 9 PHE QD 1 50 VAL MG1 4.230 . 4.230 2.843 2.519 3.481 . 0 0 "[ . 1 . 2]" 1
288 1 9 PHE QD 1 50 VAL MG2 3.900 . 3.900 2.799 2.498 2.923 . 0 0 "[ . 1 . 2]" 1
289 1 9 PHE QE 1 12 VAL MG2 5.640 . 5.640 3.793 3.010 4.580 . 0 0 "[ . 1 . 2]" 1
290 1 9 PHE QE 1 13 ALA HA 4.850 . 4.850 3.120 2.816 3.355 . 0 0 "[ . 1 . 2]" 1
291 1 9 PHE QE 1 13 ALA MB 4.340 . 4.340 2.792 2.589 3.161 . 0 0 "[ . 1 . 2]" 1
292 1 9 PHE QE 1 16 TYR HB2 5.110 . 5.110 2.674 1.671 3.400 . 0 0 "[ . 1 . 2]" 1
293 1 9 PHE QE 1 16 TYR HB3 5.780 . 5.780 3.207 2.824 3.689 . 0 0 "[ . 1 . 2]" 1
294 1 9 PHE QE 1 16 TYR QD 4.030 . 4.030 2.737 2.209 3.253 . 0 0 "[ . 1 . 2]" 1
295 1 9 PHE QE 1 48 VAL HB 6.590 . 6.590 3.402 2.773 4.939 . 0 0 "[ . 1 . 2]" 1
296 1 9 PHE QE 1 48 VAL MG1 5.150 . 5.150 3.050 2.412 4.420 . 0 0 "[ . 1 . 2]" 1
297 1 9 PHE QE 1 48 VAL MG2 5.520 . 5.520 3.275 2.240 5.168 . 0 0 "[ . 1 . 2]" 1
298 1 9 PHE QE 1 50 VAL MG2 5.630 . 5.630 3.146 2.879 3.647 . 0 0 "[ . 1 . 2]" 1
299 1 9 PHE QE 1 67 TYR HB2 6.640 . 6.640 3.526 3.284 4.300 . 0 0 "[ . 1 . 2]" 1
300 1 9 PHE HZ 1 13 ALA HA 4.700 . 4.700 3.106 2.874 3.511 . 0 0 "[ . 1 . 2]" 1
301 1 9 PHE HZ 1 13 ALA MB 5.070 . 5.070 3.678 3.040 4.188 . 0 0 "[ . 1 . 2]" 1
302 1 9 PHE HZ 1 16 TYR HB2 4.320 . 4.320 2.274 1.885 3.397 . 0 0 "[ . 1 . 2]" 1
303 1 9 PHE HZ 1 16 TYR HB3 4.900 . 4.900 3.110 2.384 4.651 . 0 0 "[ . 1 . 2]" 1
304 1 9 PHE HZ 1 16 TYR QD 4.390 . 4.390 3.627 3.160 4.370 . 0 0 "[ . 1 . 2]" 1
305 1 9 PHE HZ 1 48 VAL MG1 6.170 . 6.170 4.720 3.885 6.094 . 0 0 "[ . 1 . 2]" 1
306 1 9 PHE O 1 12 VAL H 1.900 . 2.000 2.042 2.002 2.080 0.080 6 0 "[ . 1 . 2]" 1
307 1 9 PHE O 1 12 VAL N 2.850 2.700 3.000 2.914 2.842 2.993 . 0 0 "[ . 1 . 2]" 1
308 1 10 ASP H 1 10 ASP QB 3.640 . 3.640 2.296 2.193 2.586 . 0 0 "[ . 1 . 2]" 1
309 1 10 ASP H 1 11 LYS H 4.130 . 4.130 2.800 2.697 2.897 . 0 0 "[ . 1 . 2]" 1
310 1 10 ASP H 1 11 LYS HB2 6.830 . 6.830 5.036 4.735 5.319 . 0 0 "[ . 1 . 2]" 1
311 1 10 ASP H 1 12 VAL H 5.520 . 5.520 4.344 4.157 4.552 . 0 0 "[ . 1 . 2]" 1
312 1 10 ASP H 1 12 VAL MG2 6.830 . 6.830 4.720 4.551 5.033 . 0 0 "[ . 1 . 2]" 1
313 1 10 ASP H 1 13 ALA MB 6.140 . 6.140 4.235 3.918 4.614 . 0 0 "[ . 1 . 2]" 1
314 1 10 ASP HA 1 12 VAL H 5.380 . 5.380 4.058 3.937 4.256 . 0 0 "[ . 1 . 2]" 1
315 1 10 ASP HA 1 12 VAL MG2 6.710 . 6.710 4.945 4.568 5.216 . 0 0 "[ . 1 . 2]" 1
316 1 10 ASP HA 1 13 ALA H 4.580 . 4.580 3.349 2.967 3.566 . 0 0 "[ . 1 . 2]" 1
317 1 10 ASP HA 1 13 ALA HA 6.710 . 6.710 4.155 3.598 4.506 . 0 0 "[ . 1 . 2]" 1
318 1 10 ASP HA 1 13 ALA MB 3.770 . 3.770 1.990 1.653 2.309 . 0 0 "[ . 1 . 2]" 1
319 1 10 ASP QB 1 11 LYS H 4.360 . 4.360 2.628 2.456 2.963 . 0 0 "[ . 1 . 2]" 1
320 1 10 ASP QB 1 11 LYS HA 6.040 . 6.040 4.080 3.839 4.230 . 0 0 "[ . 1 . 2]" 1
321 1 10 ASP QB 1 11 LYS HG2 6.490 . 6.490 4.232 3.550 4.831 . 0 0 "[ . 1 . 2]" 1
322 1 10 ASP QB 1 11 LYS HG3 5.990 . 5.990 3.678 3.226 5.448 . 0 0 "[ . 1 . 2]" 1
323 1 10 ASP QB 1 12 VAL H 6.690 . 6.690 4.706 4.576 4.817 . 0 0 "[ . 1 . 2]" 1
324 1 10 ASP QB 1 13 ALA H 6.830 . 6.830 4.825 4.352 5.044 . 0 0 "[ . 1 . 2]" 1
325 1 10 ASP QB 1 13 ALA MB 5.650 . 5.650 3.844 3.330 4.150 . 0 0 "[ . 1 . 2]" 1
326 1 10 ASP O 1 13 ALA H 1.900 . 2.000 2.106 2.081 2.136 0.136 15 0 "[ . 1 . 2]" 1
327 1 10 ASP O 1 13 ALA N 2.850 2.700 3.000 3.065 3.033 3.094 0.094 19 0 "[ . 1 . 2]" 1
328 1 11 LYS H 1 11 LYS HB2 3.820 . 3.820 2.613 2.473 2.749 . 0 0 "[ . 1 . 2]" 1
329 1 11 LYS H 1 11 LYS HB3 4.230 . 4.230 3.587 3.558 3.615 . 0 0 "[ . 1 . 2]" 1
330 1 11 LYS H 1 11 LYS QD 5.080 . 5.080 3.659 2.908 4.229 . 0 0 "[ . 1 . 2]" 1
331 1 11 LYS H 1 11 LYS HG2 4.640 . 4.640 3.048 1.926 3.408 . 0 0 "[ . 1 . 2]" 1
332 1 11 LYS H 1 11 LYS HG3 3.950 . 3.950 2.224 1.900 3.589 . 0 0 "[ . 1 . 2]" 1
333 1 11 LYS H 1 12 VAL H 3.740 . 3.740 2.779 2.707 2.887 . 0 0 "[ . 1 . 2]" 1
334 1 11 LYS H 1 12 VAL MG1 5.940 . 5.940 4.653 4.432 4.868 . 0 0 "[ . 1 . 2]" 1
335 1 11 LYS H 1 12 VAL MG2 4.980 . 4.980 4.004 3.878 4.122 . 0 0 "[ . 1 . 2]" 1
336 1 11 LYS H 1 13 ALA MB 5.850 . 5.850 4.526 4.373 4.709 . 0 0 "[ . 1 . 2]" 1
337 1 11 LYS HA 1 11 LYS QD 4.870 . 4.870 3.860 2.213 4.330 . 0 0 "[ . 1 . 2]" 1
338 1 11 LYS HA 1 11 LYS HG2 4.230 . 4.230 2.784 2.525 3.361 . 0 0 "[ . 1 . 2]" 1
339 1 11 LYS HA 1 12 VAL MG1 5.940 . 5.940 4.516 4.371 4.641 . 0 0 "[ . 1 . 2]" 1
340 1 11 LYS HA 1 12 VAL MG2 6.650 . 6.650 5.029 4.863 5.176 . 0 0 "[ . 1 . 2]" 1
341 1 11 LYS HA 1 13 ALA H 5.670 . 5.670 4.211 4.084 4.346 . 0 0 "[ . 1 . 2]" 1
342 1 11 LYS HB2 1 12 VAL H 5.110 . 5.110 2.825 2.662 3.095 . 0 0 "[ . 1 . 2]" 1
343 1 11 LYS HB2 1 12 VAL MG1 4.570 . 4.570 2.866 2.619 3.345 . 0 0 "[ . 1 . 2]" 1
344 1 11 LYS HB3 1 12 VAL H 5.190 . 5.190 3.903 3.768 4.035 . 0 0 "[ . 1 . 2]" 1
345 1 11 LYS HB3 1 12 VAL HA 6.830 . 6.830 4.855 4.723 5.033 . 0 0 "[ . 1 . 2]" 1
346 1 11 LYS HB3 1 12 VAL MG1 4.500 . 4.500 3.413 3.154 3.616 . 0 0 "[ . 1 . 2]" 1
347 1 11 LYS HG2 1 12 VAL H 6.680 . 6.680 4.950 4.095 5.204 . 0 0 "[ . 1 . 2]" 1
348 1 11 LYS HG3 1 12 VAL H 6.660 . 6.660 4.396 4.182 4.988 . 0 0 "[ . 1 . 2]" 1
349 1 12 VAL H 1 12 VAL MG1 4.390 . 4.390 2.951 2.727 3.197 . 0 0 "[ . 1 . 2]" 1
350 1 12 VAL H 1 12 VAL MG2 3.740 . 3.740 2.126 2.058 2.172 . 0 0 "[ . 1 . 2]" 1
351 1 12 VAL H 1 13 ALA H 3.370 . 3.370 2.385 2.291 2.509 . 0 0 "[ . 1 . 2]" 1
352 1 12 VAL H 1 13 ALA HA 5.730 . 5.730 4.293 4.112 4.519 . 0 0 "[ . 1 . 2]" 1
353 1 12 VAL H 1 13 ALA MB 5.220 . 5.220 3.878 3.788 3.995 . 0 0 "[ . 1 . 2]" 1
354 1 12 VAL HA 1 12 VAL MG1 3.650 . 3.650 2.389 2.341 2.435 . 0 0 "[ . 1 . 2]" 1
355 1 12 VAL HA 1 14 SER H 5.420 . 5.420 3.721 3.534 3.988 . 0 0 "[ . 1 . 2]" 1
356 1 12 VAL HA 1 15 GLU H 5.780 . 5.780 3.902 3.718 4.133 . 0 0 "[ . 1 . 2]" 1
357 1 12 VAL HA 1 15 GLU HG2 6.090 . 6.090 3.593 2.735 5.388 . 0 0 "[ . 1 . 2]" 1
358 1 12 VAL HA 1 15 GLU QG 5.350 . 5.350 3.420 2.645 5.046 . 0 0 "[ . 1 . 2]" 1
359 1 12 VAL HA 1 15 GLU HG3 6.090 . 6.090 4.339 3.516 6.085 . 0 0 "[ . 1 . 2]" 1
360 1 12 VAL HB 1 13 ALA H 5.710 . 5.710 4.494 4.432 4.547 . 0 0 "[ . 1 . 2]" 1
361 1 12 VAL HB 1 15 GLU H 6.080 . 6.080 4.088 3.875 4.379 . 0 0 "[ . 1 . 2]" 1
362 1 12 VAL HB 1 15 GLU QB 5.030 . 5.030 3.017 2.532 3.996 . 0 0 "[ . 1 . 2]" 1
363 1 12 VAL HB 1 16 TYR QD 4.410 . 4.410 3.786 3.280 4.425 0.015 12 0 "[ . 1 . 2]" 1
364 1 12 VAL HB 1 16 TYR QE 3.990 . 3.990 2.627 2.286 3.210 . 0 0 "[ . 1 . 2]" 1
365 1 12 VAL MG1 1 13 ALA H 5.460 . 5.460 4.433 4.336 4.496 . 0 0 "[ . 1 . 2]" 1
366 1 12 VAL MG1 1 15 GLU QG 6.270 . 6.270 3.663 3.148 5.628 . 0 0 "[ . 1 . 2]" 1
367 1 12 VAL MG1 1 16 TYR QD 6.530 . 6.530 5.079 4.722 5.462 . 0 0 "[ . 1 . 2]" 1
368 1 12 VAL MG1 1 16 TYR QE 5.390 . 5.390 3.853 3.492 4.187 . 0 0 "[ . 1 . 2]" 1
369 1 12 VAL MG2 1 13 ALA H 4.800 . 4.800 3.515 3.214 3.702 . 0 0 "[ . 1 . 2]" 1
370 1 12 VAL MG2 1 13 ALA HA 5.340 . 5.340 3.630 3.362 3.916 . 0 0 "[ . 1 . 2]" 1
371 1 12 VAL MG2 1 16 TYR QD 3.750 . 3.750 2.959 2.723 3.263 . 0 0 "[ . 1 . 2]" 1
372 1 12 VAL MG2 1 16 TYR QE 3.090 . 3.090 2.219 1.823 3.086 . 0 0 "[ . 1 . 2]" 1
373 1 12 VAL O 1 15 GLU H 1.900 . 2.000 2.060 2.027 2.093 0.093 20 0 "[ . 1 . 2]" 1
374 1 12 VAL O 1 15 GLU N 2.850 2.700 3.000 2.980 2.933 3.018 0.018 14 0 "[ . 1 . 2]" 1
375 1 13 ALA H 1 13 ALA MB 3.480 . 3.480 2.253 2.231 2.277 . 0 0 "[ . 1 . 2]" 1
376 1 13 ALA H 1 14 SER H 4.180 . 4.180 2.789 2.638 2.968 . 0 0 "[ . 1 . 2]" 1
377 1 13 ALA H 1 15 GLU H 6.210 . 6.210 4.319 4.169 4.526 . 0 0 "[ . 1 . 2]" 1
378 1 13 ALA HA 1 15 GLU H 5.240 . 5.240 3.858 3.669 4.061 . 0 0 "[ . 1 . 2]" 1
379 1 13 ALA HA 1 16 TYR H 5.170 . 5.170 3.862 3.376 4.131 . 0 0 "[ . 1 . 2]" 1
380 1 13 ALA HA 1 16 TYR QD 4.400 . 4.400 2.955 2.500 3.622 . 0 0 "[ . 1 . 2]" 1
381 1 13 ALA MB 1 14 SER H 4.060 . 4.060 2.732 2.514 2.960 . 0 0 "[ . 1 . 2]" 1
382 1 13 ALA MB 1 14 SER HA 5.100 . 5.100 3.917 3.777 4.035 . 0 0 "[ . 1 . 2]" 1
383 1 13 ALA MB 1 14 SER QB 5.670 . 5.670 4.347 3.668 4.735 . 0 0 "[ . 1 . 2]" 1
384 1 13 ALA MB 1 15 GLU H 6.140 . 6.140 4.407 4.307 4.571 . 0 0 "[ . 1 . 2]" 1
385 1 13 ALA MB 1 16 TYR H 6.110 . 6.110 4.567 4.271 4.725 . 0 0 "[ . 1 . 2]" 1
386 1 13 ALA MB 1 16 TYR QD 5.700 . 5.700 4.483 4.124 4.957 . 0 0 "[ . 1 . 2]" 1
387 1 13 ALA O 1 16 TYR H 1.900 . 2.000 2.085 2.057 2.108 0.108 17 0 "[ . 1 . 2]" 1
388 1 13 ALA O 1 16 TYR N 2.850 2.700 3.000 3.008 2.982 3.042 0.042 4 0 "[ . 1 . 2]" 1
389 1 14 SER H 1 14 SER HB2 4.280 . 4.280 2.871 2.518 3.600 . 0 0 "[ . 1 . 2]" 1
390 1 14 SER H 1 14 SER QB 3.700 . 3.700 2.516 2.226 2.638 . 0 0 "[ . 1 . 2]" 1
391 1 14 SER H 1 14 SER HB3 4.280 . 4.280 3.244 2.453 3.615 . 0 0 "[ . 1 . 2]" 1
392 1 14 SER H 1 15 GLU H 3.810 . 3.810 2.705 2.637 2.791 . 0 0 "[ . 1 . 2]" 1
393 1 14 SER HA 1 16 TYR H 5.210 . 5.210 3.640 3.429 3.959 . 0 0 "[ . 1 . 2]" 1
394 1 14 SER HB2 1 15 GLU H 6.180 . 6.180 3.489 2.868 4.250 . 0 0 "[ . 1 . 2]" 1
395 1 14 SER HB3 1 15 GLU H 6.180 . 6.180 4.127 3.194 4.411 . 0 0 "[ . 1 . 2]" 1
396 1 15 GLU H 1 15 GLU QB 3.790 . 3.790 2.432 2.288 2.596 . 0 0 "[ . 1 . 2]" 1
397 1 15 GLU H 1 15 GLU HG2 4.460 . 4.460 2.570 2.098 3.249 . 0 0 "[ . 1 . 2]" 1
398 1 15 GLU H 1 15 GLU QG 3.830 . 3.830 2.534 2.085 3.168 . 0 0 "[ . 1 . 2]" 1
399 1 15 GLU H 1 15 GLU HG3 4.460 . 4.460 3.890 3.612 4.397 . 0 0 "[ . 1 . 2]" 1
400 1 15 GLU H 1 16 TYR H 3.940 . 3.940 2.547 2.403 2.663 . 0 0 "[ . 1 . 2]" 1
401 1 15 GLU H 1 16 TYR HB2 5.850 . 5.850 4.493 4.153 4.676 . 0 0 "[ . 1 . 2]" 1
402 1 15 GLU H 1 16 TYR QD 3.850 . 3.850 3.378 2.937 3.924 0.074 19 0 "[ . 1 . 2]" 1
403 1 15 GLU H 1 16 TYR QE 5.760 . 5.760 4.620 4.202 4.952 . 0 0 "[ . 1 . 2]" 1
404 1 15 GLU HA 1 16 TYR QD 6.060 . 6.060 4.859 4.383 5.131 . 0 0 "[ . 1 . 2]" 1
405 1 15 GLU HA 1 70 LYS H 5.620 . 5.620 4.240 3.921 4.603 . 0 0 "[ . 1 . 2]" 1
406 1 15 GLU HA 1 70 LYS QB 5.260 . 5.260 3.178 2.693 3.764 . 0 0 "[ . 1 . 2]" 1
407 1 15 GLU HA 1 70 LYS HD2 5.280 . 5.280 4.044 2.408 5.338 0.058 5 0 "[ . 1 . 2]" 1
408 1 15 GLU HA 1 70 LYS QD 4.490 . 4.490 2.970 1.831 3.799 . 0 0 "[ . 1 . 2]" 1
409 1 15 GLU HA 1 70 LYS HD3 5.280 . 5.280 3.598 1.838 5.009 . 0 0 "[ . 1 . 2]" 1
410 1 15 GLU HA 1 70 LYS QE 5.780 . 5.780 4.462 3.337 5.775 . 0 0 "[ . 1 . 2]" 1
411 1 15 GLU HA 1 70 LYS HG3 6.050 . 6.050 4.207 3.568 4.918 . 0 0 "[ . 1 . 2]" 1
412 1 15 GLU QB 1 16 TYR HB2 6.110 . 6.110 4.626 4.353 5.144 . 0 0 "[ . 1 . 2]" 1
413 1 15 GLU QB 1 16 TYR QD 3.570 . 3.570 2.942 2.479 3.241 . 0 0 "[ . 1 . 2]" 1
414 1 15 GLU QB 1 16 TYR QE 3.580 . 3.580 2.956 2.676 3.730 0.150 18 0 "[ . 1 . 2]" 1
415 1 15 GLU QB 1 69 LYS QE 5.830 . 5.830 4.378 2.531 5.953 0.123 17 0 "[ . 1 . 2]" 1
416 1 15 GLU HB2 1 16 TYR H 6.710 . 6.710 3.655 3.429 4.122 . 0 0 "[ . 1 . 2]" 1
417 1 15 GLU HB2 1 16 TYR QD 4.210 . 4.210 3.015 2.502 3.347 . 0 0 "[ . 1 . 2]" 1
418 1 15 GLU HB3 1 16 TYR H 6.710 . 6.710 4.340 4.156 4.495 . 0 0 "[ . 1 . 2]" 1
419 1 15 GLU HB3 1 16 TYR QD 4.210 . 4.210 4.195 3.899 4.374 0.164 17 0 "[ . 1 . 2]" 1
420 1 15 GLU QG 1 16 TYR QD 4.850 . 4.850 4.479 3.822 4.925 0.075 18 0 "[ . 1 . 2]" 1
421 1 15 GLU QG 1 16 TYR QE 6.330 . 6.330 4.221 3.529 5.513 . 0 0 "[ . 1 . 2]" 1
422 1 16 TYR H 1 16 TYR HB2 3.920 . 3.920 2.738 2.625 2.848 . 0 0 "[ . 1 . 2]" 1
423 1 16 TYR H 1 16 TYR QD 3.730 . 3.730 3.134 2.821 3.468 . 0 0 "[ . 1 . 2]" 1
424 1 16 TYR H 1 70 LYS QB 6.270 . 6.270 4.718 4.094 5.408 . 0 0 "[ . 1 . 2]" 1
425 1 16 TYR H 1 70 LYS QD 5.670 . 5.670 3.491 2.873 4.431 . 0 0 "[ . 1 . 2]" 1
426 1 16 TYR H 1 70 LYS QE 5.810 . 5.810 4.665 3.016 5.668 . 0 0 "[ . 1 . 2]" 1
427 1 16 TYR HA 1 16 TYR QD 3.680 . 3.680 2.849 2.530 3.138 . 0 0 "[ . 1 . 2]" 1
428 1 16 TYR HA 1 16 TYR QE 5.530 . 5.530 4.607 4.469 4.701 . 0 0 "[ . 1 . 2]" 1
429 1 16 TYR HA 1 17 THR H 3.630 . 3.630 2.324 2.177 2.529 . 0 0 "[ . 1 . 2]" 1
430 1 16 TYR HA 1 17 THR HB 6.000 . 6.000 4.700 4.172 5.746 . 0 0 "[ . 1 . 2]" 1
431 1 16 TYR HA 1 67 TYR HB3 6.830 . 6.830 4.018 3.760 4.372 . 0 0 "[ . 1 . 2]" 1
432 1 16 TYR HA 1 69 LYS HA 4.020 . 4.020 2.567 2.087 2.917 . 0 0 "[ . 1 . 2]" 1
433 1 16 TYR HA 1 69 LYS QG 6.280 . 6.280 4.230 3.495 5.400 . 0 0 "[ . 1 . 2]" 1
434 1 16 TYR HA 1 70 LYS H 4.000 . 4.000 2.675 2.072 3.184 . 0 0 "[ . 1 . 2]" 1
435 1 16 TYR HA 1 70 LYS HA 6.350 . 6.350 4.855 4.458 5.104 . 0 0 "[ . 1 . 2]" 1
436 1 16 TYR HA 1 70 LYS QB 6.080 . 6.080 4.103 3.599 4.500 . 0 0 "[ . 1 . 2]" 1
437 1 16 TYR HA 1 70 LYS QE 6.330 . 6.330 4.924 3.458 5.779 . 0 0 "[ . 1 . 2]" 1
438 1 16 TYR HA 1 70 LYS HG2 5.650 . 5.650 4.252 3.840 4.651 . 0 0 "[ . 1 . 2]" 1
439 1 16 TYR HA 1 70 LYS HG3 5.030 . 5.030 2.639 2.353 3.101 . 0 0 "[ . 1 . 2]" 1
440 1 16 TYR HB2 1 17 THR H 5.120 . 5.120 3.764 3.392 4.120 . 0 0 "[ . 1 . 2]" 1
441 1 16 TYR HB2 1 67 TYR HB2 5.990 . 5.990 4.287 3.978 5.015 . 0 0 "[ . 1 . 2]" 1
442 1 16 TYR HB2 1 67 TYR QD 6.370 . 6.370 2.963 2.623 3.644 . 0 0 "[ . 1 . 2]" 1
443 1 16 TYR HB2 1 69 LYS HA 6.830 . 6.830 4.916 4.606 5.167 . 0 0 "[ . 1 . 2]" 1
444 1 16 TYR HB3 1 17 THR H 4.380 . 4.380 2.628 2.176 3.112 . 0 0 "[ . 1 . 2]" 1
445 1 16 TYR HB3 1 67 TYR HA 6.080 . 6.080 4.199 3.949 4.560 . 0 0 "[ . 1 . 2]" 1
446 1 16 TYR HB3 1 67 TYR HB2 5.350 . 5.350 3.216 2.922 3.729 . 0 0 "[ . 1 . 2]" 1
447 1 16 TYR HB3 1 67 TYR QD 5.840 . 5.840 2.596 2.007 3.235 . 0 0 "[ . 1 . 2]" 1
448 1 16 TYR HB3 1 68 LYS H 5.710 . 5.710 3.711 3.147 4.170 . 0 0 "[ . 1 . 2]" 1
449 1 16 TYR HB3 1 69 LYS HA 6.480 . 6.480 3.975 3.583 4.236 . 0 0 "[ . 1 . 2]" 1
450 1 16 TYR QD 1 17 THR H 4.480 . 4.480 3.805 3.605 3.991 . 0 0 "[ . 1 . 2]" 1
451 1 16 TYR QD 1 47 ASP HB2 6.500 . 6.500 3.417 3.006 3.934 . 0 0 "[ . 1 . 2]" 1
452 1 16 TYR QD 1 47 ASP HB3 6.470 . 6.470 4.567 4.073 5.246 . 0 0 "[ . 1 . 2]" 1
453 1 16 TYR QD 1 48 VAL HB 4.640 . 4.640 3.810 3.340 4.048 . 0 0 "[ . 1 . 2]" 1
454 1 16 TYR QD 1 48 VAL MG1 6.240 . 6.240 4.472 4.091 4.886 . 0 0 "[ . 1 . 2]" 1
455 1 16 TYR QD 1 48 VAL MG2 5.130 . 5.130 3.209 2.869 3.491 . 0 0 "[ . 1 . 2]" 1
456 1 16 TYR QD 1 67 TYR HB2 4.110 . 4.110 3.924 2.715 4.222 0.112 4 0 "[ . 1 . 2]" 1
457 1 16 TYR QD 1 67 TYR HB3 3.400 . 3.400 3.193 2.316 3.494 0.094 12 0 "[ . 1 . 2]" 1
458 1 16 TYR QD 1 68 LYS H 4.590 . 4.590 4.221 3.736 4.483 . 0 0 "[ . 1 . 2]" 1
459 1 16 TYR QD 1 69 LYS H 4.340 . 4.340 3.469 3.203 4.120 . 0 0 "[ . 1 . 2]" 1
460 1 16 TYR QD 1 69 LYS HA 3.460 . 3.460 2.337 1.980 3.381 . 0 0 "[ . 1 . 2]" 1
461 1 16 TYR QD 1 69 LYS HB2 4.620 . 4.620 3.244 2.891 3.822 . 0 0 "[ . 1 . 2]" 1
462 1 16 TYR QD 1 69 LYS HB3 6.770 . 6.770 4.539 4.246 5.117 . 0 0 "[ . 1 . 2]" 1
463 1 16 TYR QD 1 69 LYS QD 6.700 . 6.700 4.590 3.352 5.022 . 0 0 "[ . 1 . 2]" 1
464 1 16 TYR QD 1 69 LYS QG 5.750 . 5.750 3.519 3.138 4.556 . 0 0 "[ . 1 . 2]" 1
465 1 16 TYR QD 1 70 LYS H 4.530 . 4.530 4.054 3.676 4.484 . 0 0 "[ . 1 . 2]" 1
466 1 16 TYR QE 1 47 ASP HB2 3.730 . 3.730 3.306 2.038 3.796 0.066 19 0 "[ . 1 . 2]" 1
467 1 16 TYR QE 1 47 ASP HB3 4.340 . 4.340 3.444 2.527 4.175 . 0 0 "[ . 1 . 2]" 1
468 1 16 TYR QE 1 48 VAL HB 4.370 . 4.370 4.242 3.249 4.523 0.153 20 0 "[ . 1 . 2]" 1
469 1 16 TYR QE 1 48 VAL MG1 5.110 . 5.110 4.419 3.959 4.763 . 0 0 "[ . 1 . 2]" 1
470 1 16 TYR QE 1 48 VAL MG2 3.180 . 3.180 2.459 1.993 2.657 . 0 0 "[ . 1 . 2]" 1
471 1 16 TYR QE 1 50 VAL MG2 6.430 . 6.430 5.835 5.187 6.174 . 0 0 "[ . 1 . 2]" 1
472 1 16 TYR QE 1 67 TYR HB2 6.080 . 6.080 5.384 4.475 5.815 . 0 0 "[ . 1 . 2]" 1
473 1 16 TYR QE 1 67 TYR HB3 6.170 . 6.170 5.184 4.610 5.445 . 0 0 "[ . 1 . 2]" 1
474 1 16 TYR QE 1 68 LYS HA 6.010 . 6.010 5.121 4.358 5.587 . 0 0 "[ . 1 . 2]" 1
475 1 16 TYR QE 1 69 LYS H 4.120 . 4.120 4.070 3.920 4.187 0.067 9 0 "[ . 1 . 2]" 1
476 1 16 TYR QE 1 69 LYS HA 4.270 . 4.270 3.265 2.882 3.834 . 0 0 "[ . 1 . 2]" 1
477 1 16 TYR QE 1 69 LYS HB2 3.390 . 3.390 2.361 2.003 2.876 . 0 0 "[ . 1 . 2]" 1
478 1 16 TYR QE 1 69 LYS HB3 4.190 . 4.190 4.018 3.748 4.328 0.138 18 0 "[ . 1 . 2]" 1
479 1 16 TYR QE 1 69 LYS QD 3.930 . 3.930 3.132 2.136 4.084 0.154 13 0 "[ . 1 . 2]" 1
480 1 16 TYR QE 1 69 LYS QE 5.380 . 5.380 4.357 3.305 5.266 . 0 0 "[ . 1 . 2]" 1
481 1 16 TYR QE 1 69 LYS HG2 3.980 . 3.980 3.977 2.204 4.358 0.378 11 0 "[ . 1 . 2]" 1
482 1 16 TYR QE 1 69 LYS HG3 3.980 . 3.980 2.875 2.517 4.356 0.376 3 0 "[ . 1 . 2]" 1
483 1 17 THR H 1 17 THR HB 4.210 . 4.210 3.305 2.637 3.810 . 0 0 "[ . 1 . 2]" 1
484 1 17 THR H 1 17 THR MG 4.680 . 4.680 2.560 2.078 3.814 . 0 0 "[ . 1 . 2]" 1
485 1 17 THR H 1 67 TYR HA 5.690 . 5.690 4.044 3.667 4.562 . 0 0 "[ . 1 . 2]" 1
486 1 17 THR H 1 67 TYR HB3 5.260 . 5.260 3.155 2.719 3.776 . 0 0 "[ . 1 . 2]" 1
487 1 17 THR H 1 68 LYS HB2 6.530 . 6.530 4.087 3.525 5.111 . 0 0 "[ . 1 . 2]" 1
488 1 17 THR H 1 68 LYS QB 5.640 . 5.640 3.681 3.007 4.039 . 0 0 "[ . 1 . 2]" 1
489 1 17 THR H 1 68 LYS HB3 6.530 . 6.530 4.538 3.073 5.117 . 0 0 "[ . 1 . 2]" 1
490 1 17 THR H 1 68 LYS QG 6.320 . 6.320 5.182 4.627 5.714 . 0 0 "[ . 1 . 2]" 1
491 1 17 THR H 1 68 LYS O 1.900 . 2.000 2.005 1.922 2.070 0.070 12 0 "[ . 1 . 2]" 1
492 1 17 THR H 1 69 LYS HA 5.460 . 5.460 4.031 3.509 4.319 . 0 0 "[ . 1 . 2]" 1
493 1 17 THR H 1 70 LYS H 5.530 . 5.530 4.309 3.238 5.157 . 0 0 "[ . 1 . 2]" 1
494 1 17 THR H 1 70 LYS QD 6.580 . 6.580 4.593 3.463 6.046 . 0 0 "[ . 1 . 2]" 1
495 1 17 THR H 1 70 LYS HG2 5.880 . 5.880 4.471 3.804 5.484 . 0 0 "[ . 1 . 2]" 1
496 1 17 THR H 1 70 LYS HG3 5.550 . 5.550 3.501 2.604 4.493 . 0 0 "[ . 1 . 2]" 1
497 1 17 THR HA 1 18 LYS H 3.510 . 3.510 2.182 2.125 2.221 . 0 0 "[ . 1 . 2]" 1
498 1 17 THR HA 1 18 LYS HB2 6.500 . 6.500 4.438 4.216 4.616 . 0 0 "[ . 1 . 2]" 1
499 1 17 THR HA 1 18 LYS QB 5.710 . 5.710 4.068 3.964 4.171 . 0 0 "[ . 1 . 2]" 1
500 1 17 THR HA 1 18 LYS HB3 6.500 . 6.500 4.739 4.583 4.901 . 0 0 "[ . 1 . 2]" 1
501 1 17 THR HB 1 18 LYS H 5.280 . 5.280 4.048 3.274 4.484 . 0 0 "[ . 1 . 2]" 1
502 1 17 THR HB 1 19 ILE MG 5.210 . 5.210 4.629 3.274 5.303 0.093 17 0 "[ . 1 . 2]" 1
503 1 17 THR HB 1 68 LYS H 5.450 . 5.450 4.855 3.937 5.323 . 0 0 "[ . 1 . 2]" 1
504 1 17 THR HB 1 68 LYS HB2 5.850 . 5.850 5.056 4.418 5.982 0.132 3 0 "[ . 1 . 2]" 1
505 1 17 THR HB 1 68 LYS QB 5.090 . 5.090 4.550 3.486 4.877 . 0 0 "[ . 1 . 2]" 1
506 1 17 THR HB 1 68 LYS HB3 5.850 . 5.850 5.582 3.579 6.065 0.215 13 0 "[ . 1 . 2]" 1
507 1 17 THR HB 1 70 LYS QD 5.000 . 5.000 3.852 2.198 5.246 0.246 15 0 "[ . 1 . 2]" 1
508 1 17 THR HB 1 70 LYS QE 6.240 . 6.240 3.914 1.942 6.323 0.083 14 0 "[ . 1 . 2]" 1
509 1 17 THR HB 1 70 LYS HG2 6.250 . 6.250 3.458 2.175 5.177 . 0 0 "[ . 1 . 2]" 1
510 1 17 THR HB 1 70 LYS HG3 6.490 . 6.490 3.816 2.647 5.418 . 0 0 "[ . 1 . 2]" 1
511 1 17 THR MG 1 18 LYS H 4.450 . 4.450 3.969 3.081 4.204 . 0 0 "[ . 1 . 2]" 1
512 1 17 THR MG 1 67 TYR HA 6.830 . 6.830 4.639 3.925 6.109 . 0 0 "[ . 1 . 2]" 1
513 1 17 THR MG 1 67 TYR HB3 6.830 . 6.830 4.898 4.317 5.948 . 0 0 "[ . 1 . 2]" 1
514 1 17 THR MG 1 68 LYS H 5.470 . 5.470 3.338 2.485 5.055 . 0 0 "[ . 1 . 2]" 1
515 1 17 THR MG 1 68 LYS HA 6.600 . 6.600 4.898 4.070 6.733 0.133 8 0 "[ . 1 . 2]" 1
516 1 17 THR MG 1 68 LYS HB2 5.910 . 5.910 3.158 1.914 6.089 0.179 12 0 "[ . 1 . 2]" 1
517 1 17 THR MG 1 68 LYS QB 5.120 . 5.120 2.793 1.894 4.749 . 0 0 "[ . 1 . 2]" 1
518 1 17 THR MG 1 68 LYS HB3 5.910 . 5.910 3.633 2.007 5.625 . 0 0 "[ . 1 . 2]" 1
519 1 17 THR MG 1 68 LYS QE 6.720 . 6.720 5.071 3.992 6.737 0.017 8 0 "[ . 1 . 2]" 1
520 1 17 THR MG 1 70 LYS HA 5.400 . 5.400 4.053 3.307 5.523 0.123 15 0 "[ . 1 . 2]" 1
521 1 17 THR MG 1 70 LYS QE 4.830 . 4.830 3.861 2.486 4.793 . 0 0 "[ . 1 . 2]" 1
522 1 17 THR N 1 68 LYS O 2.850 2.700 3.000 2.896 2.824 2.979 . 0 0 "[ . 1 . 2]" 1
523 1 17 THR O 1 68 LYS H 1.900 . 2.000 2.009 1.919 2.079 0.079 19 0 "[ . 1 . 2]" 1
524 1 17 THR O 1 68 LYS N 2.850 2.700 3.000 2.953 2.874 3.027 0.027 19 0 "[ . 1 . 2]" 1
525 1 18 LYS H 1 18 LYS HB2 4.010 . 4.010 2.517 2.329 2.640 . 0 0 "[ . 1 . 2]" 1
526 1 18 LYS H 1 18 LYS HB3 4.010 . 4.010 2.578 2.414 2.722 . 0 0 "[ . 1 . 2]" 1
527 1 18 LYS H 1 18 LYS QD 5.510 . 5.510 4.485 4.398 4.746 . 0 0 "[ . 1 . 2]" 1
528 1 18 LYS H 1 18 LYS HG2 5.600 . 5.600 4.497 4.371 4.563 . 0 0 "[ . 1 . 2]" 1
529 1 18 LYS H 1 18 LYS HG3 5.680 . 5.680 4.510 4.408 4.622 . 0 0 "[ . 1 . 2]" 1
530 1 18 LYS H 1 19 ILE H 5.350 . 5.350 4.461 4.368 4.577 . 0 0 "[ . 1 . 2]" 1
531 1 18 LYS H 1 19 ILE MG 5.640 . 5.640 4.686 4.475 5.035 . 0 0 "[ . 1 . 2]" 1
532 1 18 LYS H 1 67 TYR QD 6.150 . 6.150 3.369 2.858 3.727 . 0 0 "[ . 1 . 2]" 1
533 1 18 LYS HA 1 18 LYS HG3 4.320 . 4.320 2.793 2.452 3.696 . 0 0 "[ . 1 . 2]" 1
534 1 18 LYS HA 1 19 ILE QG 6.300 . 6.300 3.904 3.622 4.087 . 0 0 "[ . 1 . 2]" 1
535 1 18 LYS HA 1 19 ILE MG 6.000 . 6.000 3.850 3.722 3.999 . 0 0 "[ . 1 . 2]" 1
536 1 18 LYS HA 1 20 GLY H 5.160 . 5.160 3.498 3.367 3.699 . 0 0 "[ . 1 . 2]" 1
537 1 18 LYS HA 1 67 TYR HA 4.280 . 4.280 2.522 2.083 2.856 . 0 0 "[ . 1 . 2]" 1
538 1 18 LYS HA 1 67 TYR QD 5.460 . 5.460 3.156 2.438 3.377 . 0 0 "[ . 1 . 2]" 1
539 1 18 LYS HA 1 68 LYS H 5.810 . 5.810 4.025 3.577 4.377 . 0 0 "[ . 1 . 2]" 1
540 1 18 LYS QB 1 20 GLY H 5.880 . 5.880 4.189 3.851 4.569 . 0 0 "[ . 1 . 2]" 1
541 1 18 LYS QB 1 67 TYR QD 6.090 . 6.090 3.539 2.932 3.928 . 0 0 "[ . 1 . 2]" 1
542 1 18 LYS HB2 1 19 ILE H 6.420 . 6.420 4.421 4.243 4.607 . 0 0 "[ . 1 . 2]" 1
543 1 18 LYS HB3 1 19 ILE H 6.420 . 6.420 4.300 4.127 4.426 . 0 0 "[ . 1 . 2]" 1
544 1 18 LYS QD 1 19 ILE H 6.620 . 6.620 4.724 3.158 5.360 . 0 0 "[ . 1 . 2]" 1
545 1 18 LYS QD 1 20 GLY H 6.200 . 6.200 4.010 2.167 4.882 . 0 0 "[ . 1 . 2]" 1
546 1 18 LYS QD 1 65 ASP HA 6.630 . 6.630 5.103 3.199 6.324 . 0 0 "[ . 1 . 2]" 1
547 1 18 LYS QD 1 65 ASP HB2 6.250 . 6.250 4.855 3.334 6.331 0.081 9 0 "[ . 1 . 2]" 1
548 1 18 LYS QD 1 65 ASP HB3 5.470 . 5.470 3.599 1.914 5.628 0.158 9 0 "[ . 1 . 2]" 1
549 1 18 LYS QD 1 67 TYR QD 6.740 . 6.740 4.931 4.150 5.494 . 0 0 "[ . 1 . 2]" 1
550 1 18 LYS QE 1 20 GLY H 5.960 . 5.960 3.921 3.173 5.053 . 0 0 "[ . 1 . 2]" 1
551 1 18 LYS QE 1 20 GLY HA2 6.280 . 6.280 3.733 2.760 5.372 . 0 0 "[ . 1 . 2]" 1
552 1 18 LYS QE 1 20 GLY HA3 6.540 . 6.540 4.932 4.043 6.356 . 0 0 "[ . 1 . 2]" 1
553 1 18 LYS QE 1 21 THR HA 6.110 . 6.110 4.075 3.180 5.425 . 0 0 "[ . 1 . 2]" 1
554 1 18 LYS QE 1 21 THR HB 6.830 . 6.830 4.516 3.915 5.938 . 0 0 "[ . 1 . 2]" 1
555 1 18 LYS QE 1 21 THR MG 4.160 . 4.160 3.945 3.147 4.315 0.155 20 0 "[ . 1 . 2]" 1
556 1 18 LYS QE 1 65 ASP HA 6.580 . 6.580 3.770 2.656 5.281 . 0 0 "[ . 1 . 2]" 1
557 1 18 LYS QE 1 65 ASP HB3 5.080 . 5.080 2.910 1.967 4.632 . 0 0 "[ . 1 . 2]" 1
558 1 18 LYS QE 1 66 ILE H 6.580 . 6.580 4.198 3.144 5.400 . 0 0 "[ . 1 . 2]" 1
559 1 18 LYS HG2 1 19 ILE H 5.200 . 5.200 3.455 3.143 3.864 . 0 0 "[ . 1 . 2]" 1
560 1 18 LYS HG2 1 20 GLY H 4.150 . 4.150 2.690 2.100 3.757 . 0 0 "[ . 1 . 2]" 1
561 1 18 LYS HG2 1 20 GLY HA2 6.290 . 6.290 3.903 3.201 5.450 . 0 0 "[ . 1 . 2]" 1
562 1 18 LYS HG2 1 65 ASP HB3 6.270 . 6.270 4.130 2.761 4.647 . 0 0 "[ . 1 . 2]" 1
563 1 18 LYS HG2 1 66 ILE H 6.360 . 6.360 4.642 3.926 5.083 . 0 0 "[ . 1 . 2]" 1
564 1 18 LYS HG3 1 19 ILE H 5.400 . 5.400 3.812 2.939 5.235 . 0 0 "[ . 1 . 2]" 1
565 1 18 LYS HG3 1 20 GLY H 5.080 . 5.080 3.425 2.582 4.961 . 0 0 "[ . 1 . 2]" 1
566 1 18 LYS HG3 1 20 GLY HA2 6.830 . 6.830 4.984 4.296 6.024 . 0 0 "[ . 1 . 2]" 1
567 1 18 LYS HG3 1 65 ASP HB2 6.490 . 6.490 4.645 3.912 5.999 . 0 0 "[ . 1 . 2]" 1
568 1 18 LYS HG3 1 65 ASP HB3 5.540 . 5.540 3.193 2.657 5.169 . 0 0 "[ . 1 . 2]" 1
569 1 18 LYS HG3 1 66 ILE H 6.180 . 6.180 4.250 3.094 6.186 0.006 16 0 "[ . 1 . 2]" 1
570 1 19 ILE H 1 19 ILE MD 4.880 . 4.880 3.840 3.707 3.919 . 0 0 "[ . 1 . 2]" 1
571 1 19 ILE H 1 19 ILE HG12 4.890 . 4.890 2.199 2.029 2.313 . 0 0 "[ . 1 . 2]" 1
572 1 19 ILE H 1 19 ILE QG 3.970 . 3.970 2.148 2.000 2.249 . 0 0 "[ . 1 . 2]" 1
573 1 19 ILE H 1 19 ILE HG13 4.890 . 4.890 3.019 2.885 3.177 . 0 0 "[ . 1 . 2]" 1
574 1 19 ILE H 1 19 ILE MG 4.710 . 4.710 2.697 2.569 2.940 . 0 0 "[ . 1 . 2]" 1
575 1 19 ILE H 1 20 GLY H 3.660 . 3.660 2.185 2.080 2.293 . 0 0 "[ . 1 . 2]" 1
576 1 19 ILE H 1 66 ILE HB 6.830 . 6.830 4.893 4.583 5.171 . 0 0 "[ . 1 . 2]" 1
577 1 19 ILE H 1 66 ILE MD 6.030 . 6.030 4.645 4.186 4.849 . 0 0 "[ . 1 . 2]" 1
578 1 19 ILE H 1 66 ILE HG13 5.550 . 5.550 3.339 2.845 3.521 . 0 0 "[ . 1 . 2]" 1
579 1 19 ILE H 1 66 ILE O 1.900 . 2.000 2.078 2.044 2.110 0.110 6 0 "[ . 1 . 2]" 1
580 1 19 ILE H 1 67 TYR HA 4.360 . 4.360 2.746 2.595 3.015 . 0 0 "[ . 1 . 2]" 1
581 1 19 ILE H 1 68 LYS H 6.080 . 6.080 4.082 3.876 4.326 . 0 0 "[ . 1 . 2]" 1
582 1 19 ILE H 1 68 LYS QB 6.260 . 6.260 5.022 4.208 5.429 . 0 0 "[ . 1 . 2]" 1
583 1 19 ILE HA 1 66 ILE MD 6.420 . 6.420 5.436 5.061 5.793 . 0 0 "[ . 1 . 2]" 1
584 1 19 ILE HB 1 20 GLY H 5.040 . 5.040 4.263 4.095 4.355 . 0 0 "[ . 1 . 2]" 1
585 1 19 ILE HB 1 46 ALA MB 5.580 . 5.580 5.151 4.828 5.336 . 0 0 "[ . 1 . 2]" 1
586 1 19 ILE HB 1 66 ILE MD 4.980 . 4.980 4.332 4.066 4.661 . 0 0 "[ . 1 . 2]" 1
587 1 19 ILE HB 1 66 ILE HG13 4.890 . 4.890 4.485 4.268 4.917 0.027 12 0 "[ . 1 . 2]" 1
588 1 19 ILE MD 1 19 ILE MG 3.460 . 3.460 2.056 1.996 2.098 . 0 0 "[ . 1 . 2]" 1
589 1 19 ILE MD 1 20 GLY H 6.130 . 6.130 4.565 4.278 4.784 . 0 0 "[ . 1 . 2]" 1
590 1 19 ILE MD 1 20 GLY HA3 6.830 . 6.830 5.011 4.667 5.474 . 0 0 "[ . 1 . 2]" 1
591 1 19 ILE MD 1 44 LYS HA 6.130 . 6.130 4.608 4.056 5.540 . 0 0 "[ . 1 . 2]" 1
592 1 19 ILE MD 1 44 LYS HB2 5.290 . 5.290 3.579 2.963 4.212 . 0 0 "[ . 1 . 2]" 1
593 1 19 ILE MD 1 44 LYS HB3 5.700 . 5.700 2.994 2.361 3.757 . 0 0 "[ . 1 . 2]" 1
594 1 19 ILE MD 1 45 GLY QA 6.340 . 6.340 4.032 3.516 4.945 . 0 0 "[ . 1 . 2]" 1
595 1 19 ILE MD 1 46 ALA H 5.100 . 5.100 3.253 2.607 4.116 . 0 0 "[ . 1 . 2]" 1
596 1 19 ILE MD 1 46 ALA HA 4.130 . 4.130 2.650 2.415 2.834 . 0 0 "[ . 1 . 2]" 1
597 1 19 ILE MD 1 46 ALA MB 3.570 . 3.570 1.819 1.698 2.017 . 0 0 "[ . 1 . 2]" 1
598 1 19 ILE MD 1 47 ASP H 5.350 . 5.350 4.263 3.965 4.599 . 0 0 "[ . 1 . 2]" 1
599 1 19 ILE MD 1 66 ILE HB 4.740 . 4.740 3.118 2.617 3.894 . 0 0 "[ . 1 . 2]" 1
600 1 19 ILE MD 1 66 ILE HG13 4.690 . 4.690 3.193 2.998 3.636 . 0 0 "[ . 1 . 2]" 1
601 1 19 ILE MD 1 67 TYR HA 5.390 . 5.390 4.217 3.837 4.852 . 0 0 "[ . 1 . 2]" 1
602 1 19 ILE MD 1 67 TYR HB3 6.650 . 6.650 5.987 5.571 6.587 . 0 0 "[ . 1 . 2]" 1
603 1 19 ILE MD 1 68 LYS H 5.460 . 5.460 4.198 3.708 4.659 . 0 0 "[ . 1 . 2]" 1
604 1 19 ILE MD 1 68 LYS HA 5.720 . 5.720 4.290 3.677 4.583 . 0 0 "[ . 1 . 2]" 1
605 1 19 ILE MD 1 68 LYS HB2 4.770 . 4.770 3.555 1.818 4.269 . 0 0 "[ . 1 . 2]" 1
606 1 19 ILE MD 1 68 LYS QB 4.160 . 4.160 3.384 1.809 3.977 . 0 0 "[ . 1 . 2]" 1
607 1 19 ILE MD 1 68 LYS HB3 4.770 . 4.770 4.393 3.269 4.766 . 0 0 "[ . 1 . 2]" 1
608 1 19 ILE MD 1 68 LYS HD2 4.420 . 4.420 3.201 2.327 4.473 0.053 15 0 "[ . 1 . 2]" 1
609 1 19 ILE MD 1 68 LYS QD 3.760 . 3.760 2.776 2.270 4.013 0.253 15 0 "[ . 1 . 2]" 1
610 1 19 ILE MD 1 68 LYS HD3 4.420 . 4.420 3.339 2.317 4.537 0.117 15 0 "[ . 1 . 2]" 1
611 1 19 ILE MD 1 68 LYS QE 5.090 . 5.090 4.103 2.012 4.894 . 0 0 "[ . 1 . 2]" 1
612 1 19 ILE MD 1 68 LYS QG 4.240 . 4.240 2.285 1.650 4.083 . 0 0 "[ . 1 . 2]" 1
613 1 19 ILE QG 1 20 GLY H 4.070 . 4.070 2.899 2.592 3.130 . 0 0 "[ . 1 . 2]" 1
614 1 19 ILE QG 1 20 GLY HA2 6.580 . 6.580 4.591 4.323 4.911 . 0 0 "[ . 1 . 2]" 1
615 1 19 ILE QG 1 20 GLY HA3 6.580 . 6.580 3.639 3.348 4.035 . 0 0 "[ . 1 . 2]" 1
616 1 19 ILE QG 1 46 ALA HA 6.490 . 6.490 4.042 3.690 4.470 . 0 0 "[ . 1 . 2]" 1
617 1 19 ILE QG 1 66 ILE H 6.150 . 6.150 4.394 4.181 4.820 . 0 0 "[ . 1 . 2]" 1
618 1 19 ILE QG 1 66 ILE MD 4.190 . 4.190 2.472 2.310 2.691 . 0 0 "[ . 1 . 2]" 1
619 1 19 ILE QG 1 66 ILE HG12 5.130 . 5.130 3.490 3.385 3.804 . 0 0 "[ . 1 . 2]" 1
620 1 19 ILE QG 1 66 ILE HG13 4.300 . 4.300 1.980 1.816 2.389 . 0 0 "[ . 1 . 2]" 1
621 1 19 ILE QG 1 67 TYR HA 4.870 . 4.870 3.029 2.711 3.666 . 0 0 "[ . 1 . 2]" 1
622 1 19 ILE QG 1 68 LYS H 5.390 . 5.390 3.832 3.540 4.175 . 0 0 "[ . 1 . 2]" 1
623 1 19 ILE QG 1 68 LYS QB 5.590 . 5.590 4.132 2.822 4.612 . 0 0 "[ . 1 . 2]" 1
624 1 19 ILE QG 1 68 LYS QD 6.340 . 6.340 4.490 3.937 5.556 . 0 0 "[ . 1 . 2]" 1
625 1 19 ILE HG12 1 66 ILE HG13 5.210 . 5.210 2.714 2.575 2.888 . 0 0 "[ . 1 . 2]" 1
626 1 19 ILE HG13 1 66 ILE HG13 5.210 . 5.210 2.043 1.841 2.614 . 0 0 "[ . 1 . 2]" 1
627 1 19 ILE MG 1 20 GLY H 5.390 . 5.390 4.223 4.109 4.325 . 0 0 "[ . 1 . 2]" 1
628 1 19 ILE MG 1 67 TYR HA 5.400 . 5.400 3.392 2.924 3.884 . 0 0 "[ . 1 . 2]" 1
629 1 19 ILE MG 1 68 LYS H 4.850 . 4.850 2.988 2.501 3.580 . 0 0 "[ . 1 . 2]" 1
630 1 19 ILE MG 1 68 LYS HA 6.340 . 6.340 4.428 4.044 4.666 . 0 0 "[ . 1 . 2]" 1
631 1 19 ILE MG 1 68 LYS HB2 4.480 . 4.480 2.612 2.010 3.036 . 0 0 "[ . 1 . 2]" 1
632 1 19 ILE MG 1 68 LYS HB3 4.480 . 4.480 3.631 2.586 4.121 . 0 0 "[ . 1 . 2]" 1
633 1 19 ILE MG 1 68 LYS HD2 5.020 . 5.020 3.613 2.587 4.602 . 0 0 "[ . 1 . 2]" 1
634 1 19 ILE MG 1 68 LYS HD3 5.020 . 5.020 3.242 2.352 4.880 . 0 0 "[ . 1 . 2]" 1
635 1 19 ILE MG 1 68 LYS QE 5.280 . 5.280 4.104 2.023 4.916 . 0 0 "[ . 1 . 2]" 1
636 1 19 ILE MG 1 68 LYS QG 4.620 . 4.620 2.456 1.984 4.000 . 0 0 "[ . 1 . 2]" 1
637 1 19 ILE N 1 66 ILE O 2.850 2.700 3.000 3.007 2.965 3.051 0.051 7 0 "[ . 1 . 2]" 1
638 1 20 GLY H 1 21 THR H 5.440 . 5.440 4.386 4.353 4.420 . 0 0 "[ . 1 . 2]" 1
639 1 20 GLY H 1 21 THR HA 6.120 . 6.120 4.791 4.726 4.833 . 0 0 "[ . 1 . 2]" 1
640 1 20 GLY H 1 66 ILE H 4.800 . 4.800 3.670 3.467 3.780 . 0 0 "[ . 1 . 2]" 1
641 1 20 GLY H 1 66 ILE HB 6.690 . 6.690 5.090 4.950 5.314 . 0 0 "[ . 1 . 2]" 1
642 1 20 GLY H 1 66 ILE MD 5.400 . 5.400 3.960 3.574 4.222 . 0 0 "[ . 1 . 2]" 1
643 1 20 GLY H 1 66 ILE HG12 5.290 . 5.290 3.560 3.232 3.804 . 0 0 "[ . 1 . 2]" 1
644 1 20 GLY H 1 66 ILE HG13 4.530 . 4.530 2.800 2.615 3.038 . 0 0 "[ . 1 . 2]" 1
645 1 20 GLY H 1 67 TYR HA 6.090 . 6.090 4.596 4.464 4.807 . 0 0 "[ . 1 . 2]" 1
646 1 20 GLY HA2 1 21 THR HA 6.280 . 6.280 4.581 4.545 4.624 . 0 0 "[ . 1 . 2]" 1
647 1 20 GLY HA2 1 21 THR MG 6.040 . 6.040 5.522 4.050 5.680 . 0 0 "[ . 1 . 2]" 1
648 1 20 GLY HA2 1 22 ILE MG 6.830 . 6.830 5.754 5.570 5.952 . 0 0 "[ . 1 . 2]" 1
649 1 20 GLY HA2 1 66 ILE MD 5.960 . 5.960 4.403 4.074 4.737 . 0 0 "[ . 1 . 2]" 1
650 1 20 GLY HA2 1 66 ILE HG13 6.450 . 6.450 4.511 4.325 4.777 . 0 0 "[ . 1 . 2]" 1
651 1 20 GLY HA3 1 21 THR H 3.610 . 3.610 2.529 2.486 2.581 . 0 0 "[ . 1 . 2]" 1
652 1 20 GLY HA3 1 21 THR HA 5.930 . 5.930 4.362 4.324 4.405 . 0 0 "[ . 1 . 2]" 1
653 1 20 GLY HA3 1 22 ILE MG 6.830 . 6.830 4.535 4.331 4.793 . 0 0 "[ . 1 . 2]" 1
654 1 20 GLY HA3 1 66 ILE MD 5.330 . 5.330 2.901 2.590 3.335 . 0 0 "[ . 1 . 2]" 1
655 1 20 GLY HA3 1 66 ILE HG13 6.490 . 6.490 3.437 3.162 3.851 . 0 0 "[ . 1 . 2]" 1
656 1 20 GLY O 1 66 ILE H 1.900 . 2.000 2.040 1.953 2.074 0.074 15 0 "[ . 1 . 2]" 1
657 1 20 GLY O 1 66 ILE N 2.850 2.700 3.000 2.947 2.865 3.019 0.019 15 0 "[ . 1 . 2]" 1
658 1 21 THR H 1 21 THR HB 4.220 . 4.220 2.854 2.662 3.734 . 0 0 "[ . 1 . 2]" 1
659 1 21 THR H 1 21 THR MG 4.740 . 4.740 3.931 3.215 4.010 . 0 0 "[ . 1 . 2]" 1
660 1 21 THR H 1 22 ILE HA 5.950 . 5.950 4.869 4.764 4.991 . 0 0 "[ . 1 . 2]" 1
661 1 21 THR H 1 22 ILE MG 5.490 . 5.490 4.335 4.075 4.643 . 0 0 "[ . 1 . 2]" 1
662 1 21 THR H 1 66 ILE MD 5.640 . 5.640 4.166 3.944 4.688 . 0 0 "[ . 1 . 2]" 1
663 1 21 THR H 1 66 ILE HG12 6.340 . 6.340 3.963 3.760 4.309 . 0 0 "[ . 1 . 2]" 1
664 1 21 THR H 1 66 ILE HG13 6.260 . 6.260 4.944 4.621 5.355 . 0 0 "[ . 1 . 2]" 1
665 1 21 THR HA 1 22 ILE H 3.530 . 3.530 2.205 2.154 2.246 . 0 0 "[ . 1 . 2]" 1
666 1 21 THR HA 1 22 ILE QG 5.850 . 5.850 3.859 3.680 3.999 . 0 0 "[ . 1 . 2]" 1
667 1 21 THR HA 1 22 ILE MG 5.590 . 5.590 3.911 3.753 4.014 . 0 0 "[ . 1 . 2]" 1
668 1 21 THR HA 1 66 ILE H 4.120 . 4.120 2.608 2.378 2.825 . 0 0 "[ . 1 . 2]" 1
669 1 21 THR HA 1 66 ILE MD 5.810 . 5.810 4.252 4.083 4.463 . 0 0 "[ . 1 . 2]" 1
670 1 21 THR HA 1 66 ILE HG12 5.620 . 5.620 3.037 2.851 3.258 . 0 0 "[ . 1 . 2]" 1
671 1 21 THR HA 1 66 ILE HG13 6.420 . 6.420 4.550 4.279 4.785 . 0 0 "[ . 1 . 2]" 1
672 1 21 THR HA 1 66 ILE MG 5.970 . 5.970 3.682 3.345 4.134 . 0 0 "[ . 1 . 2]" 1
673 1 21 THR HB 1 22 ILE H 4.540 . 4.540 4.056 3.219 4.240 . 0 0 "[ . 1 . 2]" 1
674 1 21 THR HB 1 22 ILE HA 5.280 . 5.280 4.729 4.520 4.863 . 0 0 "[ . 1 . 2]" 1
675 1 21 THR HB 1 22 ILE MG 6.010 . 6.010 5.321 5.195 5.441 . 0 0 "[ . 1 . 2]" 1
676 1 21 THR HB 1 63 THR MG 5.090 . 5.090 4.652 4.223 5.343 0.253 1 0 "[ . 1 . 2]" 1
677 1 21 THR HB 1 64 ALA H 6.280 . 6.280 5.789 4.164 6.298 0.018 19 0 "[ . 1 . 2]" 1
678 1 21 THR MG 1 22 ILE H 4.290 . 4.290 2.731 2.472 3.795 . 0 0 "[ . 1 . 2]" 1
679 1 21 THR MG 1 63 THR HB 4.420 . 4.420 3.952 2.432 4.620 0.200 12 0 "[ . 1 . 2]" 1
680 1 21 THR MG 1 64 ALA H 4.830 . 4.830 3.169 2.809 4.576 . 0 0 "[ . 1 . 2]" 1
681 1 21 THR MG 1 65 ASP H 5.220 . 5.220 3.689 3.338 3.993 . 0 0 "[ . 1 . 2]" 1
682 1 21 THR MG 1 65 ASP HA 4.430 . 4.430 2.466 1.938 2.858 . 0 0 "[ . 1 . 2]" 1
683 1 21 THR MG 1 65 ASP HB2 6.260 . 6.260 4.385 3.747 4.834 . 0 0 "[ . 1 . 2]" 1
684 1 21 THR MG 1 65 ASP HB3 6.330 . 6.330 4.091 3.227 4.673 . 0 0 "[ . 1 . 2]" 1
685 1 21 THR MG 1 66 ILE H 5.960 . 5.960 4.156 3.438 4.467 . 0 0 "[ . 1 . 2]" 1
686 1 22 ILE H 1 22 ILE MD 5.090 . 5.090 3.862 3.733 4.003 . 0 0 "[ . 1 . 2]" 1
687 1 22 ILE H 1 22 ILE HG12 4.740 . 4.740 2.214 2.065 2.391 . 0 0 "[ . 1 . 2]" 1
688 1 22 ILE H 1 22 ILE QG 3.930 . 3.930 2.161 2.027 2.320 . 0 0 "[ . 1 . 2]" 1
689 1 22 ILE H 1 22 ILE HG13 4.740 . 4.740 3.022 2.878 3.126 . 0 0 "[ . 1 . 2]" 1
690 1 22 ILE H 1 22 ILE MG 4.530 . 4.530 2.892 2.790 2.999 . 0 0 "[ . 1 . 2]" 1
691 1 22 ILE H 1 23 SER H 5.680 . 5.680 4.485 4.445 4.527 . 0 0 "[ . 1 . 2]" 1
692 1 22 ILE H 1 63 THR HA 5.870 . 5.870 5.131 4.765 5.465 . 0 0 "[ . 1 . 2]" 1
693 1 22 ILE H 1 64 ALA H 4.440 . 4.440 3.450 3.106 3.699 . 0 0 "[ . 1 . 2]" 1
694 1 22 ILE H 1 64 ALA MB 5.080 . 5.080 4.007 3.568 4.434 . 0 0 "[ . 1 . 2]" 1
695 1 22 ILE H 1 64 ALA O 1.900 . 2.000 2.018 1.971 2.062 0.062 12 0 "[ . 1 . 2]" 1
696 1 22 ILE H 1 65 ASP HA 5.440 . 5.440 3.331 2.830 3.729 . 0 0 "[ . 1 . 2]" 1
697 1 22 ILE H 1 66 ILE MD 6.340 . 6.340 4.148 3.907 4.422 . 0 0 "[ . 1 . 2]" 1
698 1 22 ILE H 1 66 ILE HG12 5.610 . 5.610 3.674 3.434 3.901 . 0 0 "[ . 1 . 2]" 1
699 1 22 ILE H 1 66 ILE MG 5.610 . 5.610 3.082 2.829 3.534 . 0 0 "[ . 1 . 2]" 1
700 1 22 ILE HA 1 23 SER H 3.480 . 3.480 2.377 2.182 2.493 . 0 0 "[ . 1 . 2]" 1
701 1 22 ILE HA 1 23 SER HB2 5.620 . 5.620 4.664 4.217 5.611 . 0 0 "[ . 1 . 2]" 1
702 1 22 ILE HA 1 23 SER HB3 5.620 . 5.620 4.873 4.308 5.722 0.102 9 0 "[ . 1 . 2]" 1
703 1 22 ILE HA 1 37 LEU MD2 6.140 . 6.140 4.775 4.354 5.080 . 0 0 "[ . 1 . 2]" 1
704 1 22 ILE HB 1 23 SER H 3.640 . 3.640 2.428 2.130 2.862 . 0 0 "[ . 1 . 2]" 1
705 1 22 ILE HB 1 23 SER HA 6.590 . 6.590 4.419 4.229 4.746 . 0 0 "[ . 1 . 2]" 1
706 1 22 ILE HB 1 37 LEU MD2 5.400 . 5.400 3.333 2.761 3.842 . 0 0 "[ . 1 . 2]" 1
707 1 22 ILE HB 1 64 ALA H 6.580 . 6.580 5.239 5.003 5.439 . 0 0 "[ . 1 . 2]" 1
708 1 22 ILE MD 1 23 SER H 5.820 . 5.820 4.308 3.922 4.750 . 0 0 "[ . 1 . 2]" 1
709 1 22 ILE MD 1 23 SER HA 6.140 . 6.140 5.025 4.652 5.528 . 0 0 "[ . 1 . 2]" 1
710 1 22 ILE MD 1 37 LEU HA 4.190 . 4.190 2.244 2.084 2.472 . 0 0 "[ . 1 . 2]" 1
711 1 22 ILE MD 1 37 LEU HB2 5.390 . 5.390 3.950 3.547 4.404 . 0 0 "[ . 1 . 2]" 1
712 1 22 ILE MD 1 37 LEU HB3 4.150 . 4.150 2.563 2.128 3.117 . 0 0 "[ . 1 . 2]" 1
713 1 22 ILE MD 1 40 LYS H 5.580 . 5.580 3.966 3.805 4.206 . 0 0 "[ . 1 . 2]" 1
714 1 22 ILE MD 1 40 LYS HA 6.830 . 6.830 4.597 4.306 4.950 . 0 0 "[ . 1 . 2]" 1
715 1 22 ILE MD 1 40 LYS HB2 4.960 . 4.960 2.302 1.925 2.704 . 0 0 "[ . 1 . 2]" 1
716 1 22 ILE MD 1 40 LYS HB3 4.870 . 4.870 3.018 2.447 3.572 . 0 0 "[ . 1 . 2]" 1
717 1 22 ILE MD 1 41 ALA H 4.690 . 4.690 2.817 2.480 3.098 . 0 0 "[ . 1 . 2]" 1
718 1 22 ILE MD 1 41 ALA HA 4.620 . 4.620 3.072 2.657 3.542 . 0 0 "[ . 1 . 2]" 1
719 1 22 ILE MD 1 41 ALA MB 3.950 . 3.950 2.291 1.980 2.855 . 0 0 "[ . 1 . 2]" 1
720 1 22 ILE MD 1 42 ASP H 6.830 . 6.830 4.879 4.624 5.288 . 0 0 "[ . 1 . 2]" 1
721 1 22 ILE MD 1 49 VAL HA 6.480 . 6.480 4.559 3.869 5.030 . 0 0 "[ . 1 . 2]" 1
722 1 22 ILE MD 1 64 ALA H 5.630 . 5.630 4.734 4.420 5.021 . 0 0 "[ . 1 . 2]" 1
723 1 22 ILE MD 1 64 ALA MB 4.500 . 4.500 3.117 2.441 3.737 . 0 0 "[ . 1 . 2]" 1
724 1 22 ILE QG 1 23 SER H 4.940 . 4.940 3.591 3.278 3.950 . 0 0 "[ . 1 . 2]" 1
725 1 22 ILE QG 1 23 SER HA 6.060 . 6.060 3.820 3.470 4.297 . 0 0 "[ . 1 . 2]" 1
726 1 22 ILE QG 1 37 LEU HA 5.450 . 5.450 3.789 3.612 4.127 . 0 0 "[ . 1 . 2]" 1
727 1 22 ILE QG 1 37 LEU MD2 4.440 . 4.440 1.975 1.787 2.202 . 0 0 "[ . 1 . 2]" 1
728 1 22 ILE QG 1 49 VAL MG1 5.210 . 5.210 3.255 2.815 3.855 . 0 0 "[ . 1 . 2]" 1
729 1 22 ILE QG 1 64 ALA H 5.130 . 5.130 3.222 2.960 3.488 . 0 0 "[ . 1 . 2]" 1
730 1 22 ILE QG 1 66 ILE H 5.440 . 5.440 4.237 4.076 4.483 . 0 0 "[ . 1 . 2]" 1
731 1 22 ILE QG 1 66 ILE MD 5.730 . 5.730 3.523 3.002 3.866 . 0 0 "[ . 1 . 2]" 1
732 1 22 ILE QG 1 66 ILE MG 4.010 . 4.010 2.016 1.917 2.169 . 0 0 "[ . 1 . 2]" 1
733 1 22 ILE HG12 1 23 SER H 5.660 . 5.660 4.719 4.473 5.006 . 0 0 "[ . 1 . 2]" 1
734 1 22 ILE HG12 1 64 ALA H 5.850 . 5.850 4.067 3.755 4.379 . 0 0 "[ . 1 . 2]" 1
735 1 22 ILE HG13 1 23 SER H 5.660 . 5.660 3.724 3.371 4.139 . 0 0 "[ . 1 . 2]" 1
736 1 22 ILE HG13 1 64 ALA H 5.850 . 5.850 3.380 3.083 3.670 . 0 0 "[ . 1 . 2]" 1
737 1 22 ILE MG 1 23 SER H 4.560 . 4.560 3.678 3.542 3.802 . 0 0 "[ . 1 . 2]" 1
738 1 22 ILE MG 1 40 LYS HA 6.440 . 6.440 4.945 4.182 5.738 . 0 0 "[ . 1 . 2]" 1
739 1 22 ILE MG 1 41 ALA H 5.490 . 5.490 4.259 3.312 4.732 . 0 0 "[ . 1 . 2]" 1
740 1 22 ILE MG 1 41 ALA HA 5.130 . 5.130 3.593 2.915 4.109 . 0 0 "[ . 1 . 2]" 1
741 1 22 ILE MG 1 44 LYS H 6.680 . 6.680 5.347 4.646 6.094 . 0 0 "[ . 1 . 2]" 1
742 1 22 ILE MG 1 44 LYS HB3 6.300 . 6.300 4.752 4.091 5.455 . 0 0 "[ . 1 . 2]" 1
743 1 22 ILE MG 1 44 LYS QD 4.960 . 4.960 3.527 2.298 4.699 . 0 0 "[ . 1 . 2]" 1
744 1 22 ILE MG 1 44 LYS HE2 5.040 . 5.040 3.493 2.254 4.376 . 0 0 "[ . 1 . 2]" 1
745 1 22 ILE MG 1 44 LYS HE3 5.040 . 5.040 3.736 1.964 5.121 0.081 12 0 "[ . 1 . 2]" 1
746 1 22 ILE MG 1 44 LYS QG 5.290 . 5.290 3.188 2.238 4.577 . 0 0 "[ . 1 . 2]" 1
747 1 22 ILE N 1 64 ALA O 2.850 2.700 3.000 2.951 2.899 3.005 0.005 18 0 "[ . 1 . 2]" 1
748 1 22 ILE O 1 64 ALA H 1.900 . 2.000 2.016 1.982 2.043 0.043 20 0 "[ . 1 . 2]" 1
749 1 22 ILE O 1 64 ALA N 2.850 2.700 3.000 2.982 2.909 3.025 0.025 3 0 "[ . 1 . 2]" 1
750 1 23 SER H 1 37 LEU MD2 5.270 . 5.270 3.805 3.414 4.338 . 0 0 "[ . 1 . 2]" 1
751 1 23 SER H 1 40 LYS QD 6.580 . 6.580 4.535 2.724 6.644 0.064 19 0 "[ . 1 . 2]" 1
752 1 23 SER H 1 63 THR HA 5.950 . 5.950 4.766 4.570 5.010 . 0 0 "[ . 1 . 2]" 1
753 1 23 SER H 1 63 THR MG 6.530 . 6.530 4.792 4.010 5.375 . 0 0 "[ . 1 . 2]" 1
754 1 23 SER H 1 64 ALA MB 6.830 . 6.830 5.736 5.333 6.280 . 0 0 "[ . 1 . 2]" 1
755 1 23 SER HA 1 24 THR H 3.480 . 3.480 2.289 2.168 2.494 . 0 0 "[ . 1 . 2]" 1
756 1 23 SER HA 1 24 THR MG 5.240 . 5.240 3.824 3.487 5.500 0.260 3 0 "[ . 1 . 2]" 1
757 1 23 SER HA 1 37 LEU MD1 6.300 . 6.300 4.391 3.526 4.978 . 0 0 "[ . 1 . 2]" 1
758 1 23 SER HA 1 37 LEU MD2 4.550 . 4.550 2.887 2.469 3.581 . 0 0 "[ . 1 . 2]" 1
759 1 23 SER HA 1 63 THR HA 3.890 . 3.890 2.204 1.966 2.621 . 0 0 "[ . 1 . 2]" 1
760 1 23 SER HA 1 63 THR HB 6.020 . 6.020 4.837 3.941 5.372 . 0 0 "[ . 1 . 2]" 1
761 1 23 SER HA 1 63 THR MG 4.650 . 4.650 3.302 2.275 3.722 . 0 0 "[ . 1 . 2]" 1
762 1 23 SER HA 1 64 ALA H 4.760 . 4.760 3.396 2.920 3.685 . 0 0 "[ . 1 . 2]" 1
763 1 23 SER HA 1 64 ALA MB 6.160 . 6.160 4.628 4.287 5.071 . 0 0 "[ . 1 . 2]" 1
764 1 23 SER QB 1 24 THR H 4.160 . 4.160 3.078 2.339 3.713 . 0 0 "[ . 1 . 2]" 1
765 1 23 SER QB 1 37 LEU MD2 6.230 . 6.230 4.391 3.999 4.923 . 0 0 "[ . 1 . 2]" 1
766 1 23 SER QB 1 63 THR HA 4.740 . 4.740 3.234 2.575 4.080 . 0 0 "[ . 1 . 2]" 1
767 1 23 SER QB 1 63 THR MG 4.110 . 4.110 2.688 1.806 3.916 . 0 0 "[ . 1 . 2]" 1
768 1 23 SER QB 1 64 ALA H 5.730 . 5.730 4.468 3.766 5.488 . 0 0 "[ . 1 . 2]" 1
769 1 23 SER HB2 1 24 THR H 4.820 . 4.820 3.702 2.500 4.199 . 0 0 "[ . 1 . 2]" 1
770 1 23 SER HB2 1 63 THR HA 5.390 . 5.390 3.805 2.599 5.172 . 0 0 "[ . 1 . 2]" 1
771 1 23 SER HB2 1 63 THR MG 4.700 . 4.700 3.214 1.951 4.773 0.073 4 0 "[ . 1 . 2]" 1
772 1 23 SER HB2 1 64 ALA H 6.510 . 6.510 5.086 3.843 6.388 . 0 0 "[ . 1 . 2]" 1
773 1 23 SER HB3 1 24 THR H 4.820 . 4.820 3.509 2.377 4.138 . 0 0 "[ . 1 . 2]" 1
774 1 23 SER HB3 1 63 THR HA 5.390 . 5.390 3.953 2.918 4.956 . 0 0 "[ . 1 . 2]" 1
775 1 23 SER HB3 1 63 THR MG 4.700 . 4.700 3.451 1.831 4.854 0.154 3 0 "[ . 1 . 2]" 1
776 1 23 SER HB3 1 64 ALA H 6.510 . 6.510 5.339 4.103 6.020 . 0 0 "[ . 1 . 2]" 1
777 1 24 THR H 1 24 THR MG 3.990 . 3.990 2.490 2.242 3.763 . 0 0 "[ . 1 . 2]" 1
778 1 24 THR H 1 33 ALA MB 6.730 . 6.730 5.208 4.616 5.971 . 0 0 "[ . 1 . 2]" 1
779 1 24 THR H 1 37 LEU MD1 6.110 . 6.110 4.281 3.525 4.852 . 0 0 "[ . 1 . 2]" 1
780 1 24 THR H 1 37 LEU MD2 4.760 . 4.760 2.997 2.365 3.467 . 0 0 "[ . 1 . 2]" 1
781 1 24 THR H 1 62 GLY HA3 4.950 . 4.950 3.250 2.354 3.738 . 0 0 "[ . 1 . 2]" 1
782 1 24 THR H 1 63 THR HA 4.940 . 4.940 3.664 3.175 4.203 . 0 0 "[ . 1 . 2]" 1
783 1 24 THR H 1 63 THR MG 6.010 . 6.010 4.703 3.729 5.283 . 0 0 "[ . 1 . 2]" 1
784 1 24 THR HA 1 25 THR H 3.480 . 3.480 2.359 2.163 2.503 . 0 0 "[ . 1 . 2]" 1
785 1 24 THR HA 1 28 MET ME 5.630 . 5.630 3.882 3.187 5.367 . 0 0 "[ . 1 . 2]" 1
786 1 24 THR HA 1 37 LEU MD1 6.110 . 6.110 5.238 4.248 6.089 . 0 0 "[ . 1 . 2]" 1
787 1 24 THR HA 1 37 LEU MD2 4.920 . 4.920 3.504 2.653 4.192 . 0 0 "[ . 1 . 2]" 1
788 1 24 THR HB 1 25 THR H 4.220 . 4.220 2.747 2.300 4.110 . 0 0 "[ . 1 . 2]" 1
789 1 24 THR HB 1 28 MET ME 4.590 . 4.590 2.322 1.727 4.385 . 0 0 "[ . 1 . 2]" 1
790 1 24 THR HB 1 28 MET QG 5.870 . 5.870 3.569 2.030 5.339 . 0 0 "[ . 1 . 2]" 1
791 1 24 THR HB 1 37 LEU MD1 6.040 . 6.040 5.276 4.652 5.731 . 0 0 "[ . 1 . 2]" 1
792 1 24 THR HB 1 37 LEU MD2 5.160 . 5.160 4.522 4.008 4.833 . 0 0 "[ . 1 . 2]" 1
793 1 24 THR MG 1 25 THR H 4.800 . 4.800 3.712 2.554 4.001 . 0 0 "[ . 1 . 2]" 1
794 1 24 THR MG 1 28 MET QB 5.930 . 5.930 3.893 2.669 5.755 . 0 0 "[ . 1 . 2]" 1
795 1 24 THR MG 1 28 MET QG 5.590 . 5.590 4.024 2.642 4.968 . 0 0 "[ . 1 . 2]" 1
796 1 24 THR MG 1 33 ALA HA 4.470 . 4.470 2.546 1.892 3.436 . 0 0 "[ . 1 . 2]" 1
797 1 24 THR MG 1 36 ASP QB 3.970 . 3.970 2.594 2.048 3.371 . 0 0 "[ . 1 . 2]" 1
798 1 24 THR MG 1 37 LEU H 5.500 . 5.500 3.737 3.214 4.165 . 0 0 "[ . 1 . 2]" 1
799 1 24 THR MG 1 37 LEU HA 5.440 . 5.440 4.278 3.819 5.249 . 0 0 "[ . 1 . 2]" 1
800 1 24 THR MG 1 37 LEU MD1 4.070 . 4.070 2.749 2.214 4.065 . 0 0 "[ . 1 . 2]" 1
801 1 24 THR MG 1 37 LEU MD2 3.800 . 3.800 2.195 1.935 3.723 . 0 0 "[ . 1 . 2]" 1
802 1 24 THR MG 1 37 LEU HG 4.210 . 4.210 2.485 2.084 3.499 . 0 0 "[ . 1 . 2]" 1
803 1 24 THR MG 1 62 GLY HA2 5.270 . 5.270 3.822 3.004 5.330 0.060 8 0 "[ . 1 . 2]" 1
804 1 24 THR MG 1 62 GLY HA3 4.750 . 4.750 2.807 2.139 4.455 . 0 0 "[ . 1 . 2]" 1
805 1 25 THR H 1 25 THR HB 4.220 . 4.220 2.793 2.509 3.612 . 0 0 "[ . 1 . 2]" 1
806 1 25 THR H 1 26 GLY H 4.250 . 4.250 3.494 2.577 4.427 0.177 14 0 "[ . 1 . 2]" 1
807 1 25 THR H 1 26 GLY QA 6.580 . 6.580 4.940 4.611 5.257 . 0 0 "[ . 1 . 2]" 1
808 1 25 THR H 1 28 MET ME 4.870 . 4.870 3.349 2.174 3.978 . 0 0 "[ . 1 . 2]" 1
809 1 25 THR HA 1 25 THR MG 3.660 . 3.660 2.482 2.292 3.269 . 0 0 "[ . 1 . 2]" 1
810 1 25 THR HA 1 26 GLY H 3.550 . 3.550 2.802 2.131 3.598 0.048 13 0 "[ . 1 . 2]" 1
811 1 25 THR HA 1 26 GLY HA2 5.480 . 5.480 4.526 4.348 4.983 . 0 0 "[ . 1 . 2]" 1
812 1 25 THR HA 1 26 GLY HA3 5.480 . 5.480 4.638 4.293 5.012 . 0 0 "[ . 1 . 2]" 1
813 1 25 THR HA 1 28 MET ME 6.830 . 6.830 5.327 4.225 5.994 . 0 0 "[ . 1 . 2]" 1
814 1 25 THR HB 1 26 GLY H 4.860 . 4.860 3.927 2.232 4.533 . 0 0 "[ . 1 . 2]" 1
815 1 25 THR HB 1 28 MET ME 5.300 . 5.300 4.328 2.818 5.416 0.116 5 0 "[ . 1 . 2]" 1
816 1 25 THR MG 1 26 GLY H 4.210 . 4.210 3.622 2.339 4.252 0.042 4 0 "[ . 1 . 2]" 1
817 1 26 GLY H 1 28 MET ME 5.820 . 5.820 4.495 2.307 6.064 0.244 2 0 "[ . 1 . 2]" 1
818 1 26 GLY QA 1 28 MET ME 5.680 . 5.680 4.864 3.535 5.855 0.175 20 0 "[ . 1 . 2]" 1
819 1 27 GLU H 1 27 GLU QB 3.800 . 3.800 2.599 2.376 3.321 . 0 0 "[ . 1 . 2]" 1
820 1 27 GLU H 1 27 GLU HG2 4.880 . 4.880 3.405 1.953 4.834 . 0 0 "[ . 1 . 2]" 1
821 1 27 GLU H 1 27 GLU QG 4.260 . 4.260 2.772 1.925 4.226 . 0 0 "[ . 1 . 2]" 1
822 1 27 GLU H 1 27 GLU HG3 4.880 . 4.880 3.175 2.254 4.664 . 0 0 "[ . 1 . 2]" 1
823 1 27 GLU HA 1 28 MET H 3.570 . 3.570 2.263 2.125 3.428 . 0 0 "[ . 1 . 2]" 1
824 1 27 GLU HA 1 28 MET QB 6.240 . 6.240 4.553 4.378 4.946 . 0 0 "[ . 1 . 2]" 1
825 1 27 GLU HA 1 28 MET QG 6.000 . 6.000 4.080 3.492 4.642 . 0 0 "[ . 1 . 2]" 1
826 1 27 GLU QB 1 28 MET H 4.340 . 4.340 3.587 2.892 4.017 . 0 0 "[ . 1 . 2]" 1
827 1 27 GLU QB 1 29 SER H 6.300 . 6.300 5.955 4.728 6.437 0.137 13 0 "[ . 1 . 2]" 1
828 1 27 GLU QB 1 60 ILE H 5.810 . 5.810 4.284 3.317 5.605 . 0 0 "[ . 1 . 2]" 1
829 1 27 GLU QB 1 60 ILE MD 5.010 . 5.010 4.056 2.416 5.165 0.155 13 0 "[ . 1 . 2]" 1
830 1 28 MET H 1 28 MET ME 6.330 . 6.330 4.125 3.274 4.941 . 0 0 "[ . 1 . 2]" 1
831 1 28 MET H 1 28 MET QG 4.580 . 4.580 2.763 2.248 3.551 . 0 0 "[ . 1 . 2]" 1
832 1 28 MET H 1 29 SER H 5.210 . 5.210 4.322 3.147 4.573 . 0 0 "[ . 1 . 2]" 1
833 1 28 MET H 1 33 ALA MB 5.760 . 5.760 3.788 3.381 4.692 . 0 0 "[ . 1 . 2]" 1
834 1 28 MET HA 1 28 MET ME 5.700 . 5.700 4.392 3.468 5.237 . 0 0 "[ . 1 . 2]" 1
835 1 28 MET HA 1 32 ASP QB 6.580 . 6.580 4.859 3.955 5.847 . 0 0 "[ . 1 . 2]" 1
836 1 28 MET QB 1 29 SER H 4.300 . 4.300 2.393 1.765 3.020 . 0 0 "[ . 1 . 2]" 1
837 1 28 MET QB 1 32 ASP QB 4.430 . 4.430 2.930 1.946 3.603 . 0 0 "[ . 1 . 2]" 1
838 1 28 MET QB 1 33 ALA H 5.150 . 5.150 3.735 3.183 4.508 . 0 0 "[ . 1 . 2]" 1
839 1 28 MET QB 1 33 ALA HA 4.910 . 4.910 3.505 2.683 4.860 . 0 0 "[ . 1 . 2]" 1
840 1 28 MET QB 1 33 ALA MB 3.980 . 3.980 2.896 1.917 4.089 0.109 14 0 "[ . 1 . 2]" 1
841 1 28 MET HB2 1 29 SER H 5.000 . 5.000 3.164 1.787 4.096 . 0 0 "[ . 1 . 2]" 1
842 1 28 MET HB2 1 32 ASP QB 5.290 . 5.290 3.730 2.493 4.646 . 0 0 "[ . 1 . 2]" 1
843 1 28 MET HB2 1 33 ALA H 5.860 . 5.860 4.084 3.507 4.673 . 0 0 "[ . 1 . 2]" 1
844 1 28 MET HB3 1 29 SER H 5.000 . 5.000 2.824 2.286 3.696 . 0 0 "[ . 1 . 2]" 1
845 1 28 MET HB3 1 32 ASP QB 5.290 . 5.290 3.388 1.970 5.103 . 0 0 "[ . 1 . 2]" 1
846 1 28 MET HB3 1 33 ALA H 5.860 . 5.860 4.531 3.408 5.925 0.065 18 0 "[ . 1 . 2]" 1
847 1 28 MET ME 1 32 ASP QB 5.710 . 5.710 3.868 2.517 5.030 . 0 0 "[ . 1 . 2]" 1
848 1 28 MET ME 1 33 ALA HA 5.480 . 5.480 2.619 1.844 4.085 . 0 0 "[ . 1 . 2]" 1
849 1 28 MET ME 1 36 ASP H 5.730 . 5.730 4.452 3.600 5.905 0.175 6 0 "[ . 1 . 2]" 1
850 1 28 MET ME 1 36 ASP HA 6.830 . 6.830 4.859 4.105 6.403 . 0 0 "[ . 1 . 2]" 1
851 1 28 MET ME 1 36 ASP HB2 5.810 . 5.810 2.828 2.059 4.316 . 0 0 "[ . 1 . 2]" 1
852 1 28 MET ME 1 36 ASP QB 5.110 . 5.110 2.605 2.006 3.892 . 0 0 "[ . 1 . 2]" 1
853 1 28 MET ME 1 36 ASP HB3 5.810 . 5.810 3.156 2.422 4.496 . 0 0 "[ . 1 . 2]" 1
854 1 28 MET QG 1 29 SER H 5.750 . 5.750 3.892 3.328 4.351 . 0 0 "[ . 1 . 2]" 1
855 1 28 MET QG 1 33 ALA H 6.250 . 6.250 5.188 2.688 6.078 . 0 0 "[ . 1 . 2]" 1
856 1 28 MET QG 1 33 ALA HA 5.750 . 5.750 4.378 2.739 5.143 . 0 0 "[ . 1 . 2]" 1
857 1 28 MET QG 1 33 ALA MB 5.120 . 5.120 3.886 1.930 4.663 . 0 0 "[ . 1 . 2]" 1
858 1 29 SER H 1 30 PRO QD 6.540 . 6.540 4.476 4.274 4.559 . 0 0 "[ . 1 . 2]" 1
859 1 29 SER H 1 32 ASP QB 4.580 . 4.580 3.110 2.649 3.710 . 0 0 "[ . 1 . 2]" 1
860 1 29 SER HA 1 30 PRO QD 3.910 . 3.910 2.200 1.934 2.413 . 0 0 "[ . 1 . 2]" 1
861 1 29 SER HA 1 30 PRO QG 5.610 . 5.610 4.107 3.836 4.349 . 0 0 "[ . 1 . 2]" 1
862 1 29 SER QB 1 30 PRO QD 3.750 . 3.750 2.457 2.013 3.329 . 0 0 "[ . 1 . 2]" 1
863 1 29 SER QB 1 30 PRO QG 5.380 . 5.380 4.042 3.549 4.767 . 0 0 "[ . 1 . 2]" 1
864 1 29 SER QB 1 31 LEU H 4.600 . 4.600 3.556 2.859 4.237 . 0 0 "[ . 1 . 2]" 1
865 1 29 SER QB 1 32 ASP H 4.900 . 4.900 3.214 2.743 4.168 . 0 0 "[ . 1 . 2]" 1
866 1 29 SER QB 1 32 ASP QB 5.670 . 5.670 2.768 1.713 4.304 . 0 0 "[ . 1 . 2]" 1
867 1 29 SER HB2 1 30 PRO QD 4.480 . 4.480 3.355 2.061 4.025 . 0 0 "[ . 1 . 2]" 1
868 1 29 SER HB2 1 32 ASP H 5.690 . 5.690 3.412 2.855 4.487 . 0 0 "[ . 1 . 2]" 1
869 1 29 SER HB3 1 30 PRO QD 4.480 . 4.480 2.804 2.026 3.919 . 0 0 "[ . 1 . 2]" 1
870 1 29 SER HB3 1 32 ASP H 5.690 . 5.690 4.172 2.945 5.324 . 0 0 "[ . 1 . 2]" 1
871 1 30 PRO HA 1 33 ALA H 5.460 . 5.460 3.774 3.320 4.150 . 0 0 "[ . 1 . 2]" 1
872 1 30 PRO HA 1 33 ALA MB 4.130 . 4.130 2.694 1.904 3.309 . 0 0 "[ . 1 . 2]" 1
873 1 30 PRO HA 1 34 ARG H 5.670 . 5.670 4.266 3.927 4.712 . 0 0 "[ . 1 . 2]" 1
874 1 30 PRO HA 1 51 LEU MD1 5.860 . 5.860 5.492 4.754 5.926 0.066 18 0 "[ . 1 . 2]" 1
875 1 30 PRO HA 1 51 LEU MD2 6.830 . 6.830 5.998 5.234 6.912 0.082 1 0 "[ . 1 . 2]" 1
876 1 30 PRO HA 1 60 ILE MD 4.680 . 4.680 3.504 2.462 4.554 . 0 0 "[ . 1 . 2]" 1
877 1 30 PRO HA 1 60 ILE QG 5.920 . 5.920 4.860 3.750 6.022 0.102 12 0 "[ . 1 . 2]" 1
878 1 30 PRO HA 1 60 ILE MG 6.830 . 6.830 5.797 4.507 6.926 0.096 2 0 "[ . 1 . 2]" 1
879 1 30 PRO QB 1 31 LEU H 4.130 . 4.130 2.807 2.239 3.383 . 0 0 "[ . 1 . 2]" 1
880 1 30 PRO QB 1 31 LEU QB 5.920 . 5.920 4.328 3.719 5.072 . 0 0 "[ . 1 . 2]" 1
881 1 30 PRO QB 1 32 ASP H 6.100 . 6.100 4.932 4.536 5.395 . 0 0 "[ . 1 . 2]" 1
882 1 30 PRO QB 1 33 ALA MB 5.740 . 5.740 4.206 3.546 4.791 . 0 0 "[ . 1 . 2]" 1
883 1 30 PRO QB 1 60 ILE MD 5.730 . 5.730 4.132 2.571 5.518 . 0 0 "[ . 1 . 2]" 1
884 1 30 PRO QD 1 31 LEU H 4.420 . 4.420 3.184 2.831 3.574 . 0 0 "[ . 1 . 2]" 1
885 1 30 PRO QG 1 31 LEU H 4.780 . 4.780 2.866 1.982 4.125 . 0 0 "[ . 1 . 2]" 1
886 1 30 PRO QG 1 60 ILE MD 6.120 . 6.120 4.619 1.997 6.152 0.032 11 0 "[ . 1 . 2]" 1
887 1 31 LEU H 1 31 LEU HB2 4.140 . 4.140 2.456 2.292 2.612 . 0 0 "[ . 1 . 2]" 1
888 1 31 LEU H 1 31 LEU QB 3.450 . 3.450 2.354 2.190 2.491 . 0 0 "[ . 1 . 2]" 1
889 1 31 LEU H 1 31 LEU HB3 4.140 . 4.140 3.274 2.458 3.669 . 0 0 "[ . 1 . 2]" 1
890 1 31 LEU H 1 31 LEU MD1 5.750 . 5.750 3.768 3.333 4.411 . 0 0 "[ . 1 . 2]" 1
891 1 31 LEU H 1 31 LEU HG 4.640 . 4.640 4.211 3.976 4.640 . 0 0 "[ . 1 . 2]" 1
892 1 31 LEU H 1 32 ASP H 4.020 . 4.020 2.585 2.398 2.763 . 0 0 "[ . 1 . 2]" 1
893 1 31 LEU H 1 33 ALA H 5.350 . 5.350 3.988 3.727 4.390 . 0 0 "[ . 1 . 2]" 1
894 1 31 LEU H 1 33 ALA MB 6.340 . 6.340 4.634 4.283 5.104 . 0 0 "[ . 1 . 2]" 1
895 1 31 LEU HA 1 31 LEU MD1 4.280 . 4.280 2.294 2.047 3.187 . 0 0 "[ . 1 . 2]" 1
896 1 31 LEU HA 1 31 LEU MD2 4.180 . 4.180 3.002 2.052 3.982 . 0 0 "[ . 1 . 2]" 1
897 1 31 LEU HA 1 34 ARG H 5.200 . 5.200 3.483 3.271 3.868 . 0 0 "[ . 1 . 2]" 1
898 1 31 LEU HA 1 34 ARG HD2 5.720 . 5.720 3.197 2.030 5.081 . 0 0 "[ . 1 . 2]" 1
899 1 31 LEU HA 1 34 ARG QD 4.990 . 4.990 2.322 1.738 3.364 . 0 0 "[ . 1 . 2]" 1
900 1 31 LEU HA 1 34 ARG HD3 5.720 . 5.720 3.075 1.744 4.507 . 0 0 "[ . 1 . 2]" 1
901 1 31 LEU HA 1 35 GLU H 5.910 . 5.910 4.407 4.022 5.369 . 0 0 "[ . 1 . 2]" 1
902 1 31 LEU HB2 1 32 ASP H 4.620 . 4.620 3.068 2.496 3.953 . 0 0 "[ . 1 . 2]" 1
903 1 31 LEU HB3 1 32 ASP H 4.620 . 4.620 3.236 2.448 3.796 . 0 0 "[ . 1 . 2]" 1
904 1 31 LEU MD1 1 34 ARG HD2 6.220 . 6.220 3.354 1.753 6.339 0.119 9 0 "[ . 1 . 2]" 1
905 1 31 LEU MD1 1 34 ARG QD 5.350 . 5.350 2.641 1.747 4.722 . 0 0 "[ . 1 . 2]" 1
906 1 31 LEU MD1 1 34 ARG HD3 6.220 . 6.220 3.262 1.993 5.350 . 0 0 "[ . 1 . 2]" 1
907 1 31 LEU MD1 1 35 GLU H 6.340 . 6.340 5.006 3.743 5.809 . 0 0 "[ . 1 . 2]" 1
908 1 31 LEU MD1 1 35 GLU HG2 5.880 . 5.880 4.758 2.719 5.878 . 0 0 "[ . 1 . 2]" 1
909 1 31 LEU MD1 1 35 GLU QG 5.100 . 5.100 4.041 2.408 4.811 . 0 0 "[ . 1 . 2]" 1
910 1 31 LEU MD1 1 35 GLU HG3 5.880 . 5.880 4.571 2.464 5.986 0.106 15 0 "[ . 1 . 2]" 1
911 1 31 LEU MD2 1 32 ASP H 6.490 . 6.490 4.128 3.829 4.748 . 0 0 "[ . 1 . 2]" 1
912 1 31 LEU MD2 1 34 ARG H 6.760 . 6.760 5.520 4.666 6.388 . 0 0 "[ . 1 . 2]" 1
913 1 31 LEU MD2 1 34 ARG HD2 5.950 . 5.950 4.414 2.254 6.154 0.204 4 0 "[ . 1 . 2]" 1
914 1 31 LEU MD2 1 34 ARG QD 5.180 . 5.180 3.754 1.939 4.724 . 0 0 "[ . 1 . 2]" 1
915 1 31 LEU MD2 1 34 ARG HD3 5.950 . 5.950 4.492 1.952 6.034 0.084 12 0 "[ . 1 . 2]" 1
916 1 31 LEU HG 1 32 ASP H 5.940 . 5.940 4.900 3.718 5.352 . 0 0 "[ . 1 . 2]" 1
917 1 32 ASP H 1 32 ASP QB 3.830 . 3.830 2.301 2.187 2.518 . 0 0 "[ . 1 . 2]" 1
918 1 32 ASP H 1 33 ALA H 4.020 . 4.020 2.621 2.483 2.804 . 0 0 "[ . 1 . 2]" 1
919 1 32 ASP H 1 33 ALA MB 5.990 . 5.990 4.279 4.133 4.450 . 0 0 "[ . 1 . 2]" 1
920 1 32 ASP H 1 35 GLU QB 6.440 . 6.440 5.344 4.807 5.988 . 0 0 "[ . 1 . 2]" 1
921 1 32 ASP HA 1 34 ARG H 6.030 . 6.030 4.466 4.222 4.637 . 0 0 "[ . 1 . 2]" 1
922 1 32 ASP HA 1 35 GLU H 4.810 . 4.810 3.551 3.179 3.792 . 0 0 "[ . 1 . 2]" 1
923 1 32 ASP HA 1 35 GLU QB 4.390 . 4.390 2.992 2.490 3.562 . 0 0 "[ . 1 . 2]" 1
924 1 32 ASP HA 1 35 GLU HG2 5.920 . 5.920 4.247 2.668 5.629 . 0 0 "[ . 1 . 2]" 1
925 1 32 ASP HA 1 35 GLU HG3 5.920 . 5.920 3.568 2.810 4.423 . 0 0 "[ . 1 . 2]" 1
926 1 32 ASP QB 1 33 ALA H 4.470 . 4.470 2.642 2.416 2.837 . 0 0 "[ . 1 . 2]" 1
927 1 32 ASP QB 1 33 ALA HA 6.290 . 6.290 4.192 3.828 4.360 . 0 0 "[ . 1 . 2]" 1
928 1 32 ASP QB 1 33 ALA MB 5.530 . 5.530 3.916 3.736 4.099 . 0 0 "[ . 1 . 2]" 1
929 1 32 ASP QB 1 35 GLU QB 5.810 . 5.810 4.674 3.853 5.149 . 0 0 "[ . 1 . 2]" 1
930 1 33 ALA H 1 34 ARG H 4.030 . 4.030 2.632 2.525 2.771 . 0 0 "[ . 1 . 2]" 1
931 1 33 ALA HA 1 35 GLU H 6.330 . 6.330 4.520 4.158 4.834 . 0 0 "[ . 1 . 2]" 1
932 1 33 ALA HA 1 36 ASP H 4.780 . 4.780 3.619 3.319 3.882 . 0 0 "[ . 1 . 2]" 1
933 1 33 ALA HA 1 36 ASP HB2 4.880 . 4.880 3.522 3.100 3.951 . 0 0 "[ . 1 . 2]" 1
934 1 33 ALA HA 1 36 ASP QB 4.110 . 4.110 2.720 2.479 2.984 . 0 0 "[ . 1 . 2]" 1
935 1 33 ALA HA 1 36 ASP HB3 4.880 . 4.880 2.834 2.565 3.088 . 0 0 "[ . 1 . 2]" 1
936 1 33 ALA HA 1 37 LEU H 5.660 . 5.660 4.185 3.991 4.312 . 0 0 "[ . 1 . 2]" 1
937 1 33 ALA HA 1 37 LEU MD1 6.000 . 6.000 4.369 4.043 4.650 . 0 0 "[ . 1 . 2]" 1
938 1 33 ALA HA 1 37 LEU MD2 6.830 . 6.830 5.019 4.721 5.348 . 0 0 "[ . 1 . 2]" 1
939 1 33 ALA HA 1 37 LEU HG 6.050 . 6.050 3.978 3.745 4.328 . 0 0 "[ . 1 . 2]" 1
940 1 33 ALA MB 1 34 ARG H 4.060 . 4.060 2.501 2.342 2.713 . 0 0 "[ . 1 . 2]" 1
941 1 33 ALA MB 1 34 ARG HA 5.470 . 5.470 3.903 3.839 4.031 . 0 0 "[ . 1 . 2]" 1
942 1 33 ALA MB 1 35 GLU H 6.390 . 6.390 4.621 4.428 4.799 . 0 0 "[ . 1 . 2]" 1
943 1 33 ALA MB 1 36 ASP H 5.890 . 5.890 4.726 4.557 4.905 . 0 0 "[ . 1 . 2]" 1
944 1 33 ALA MB 1 36 ASP QB 5.950 . 5.950 3.970 3.674 4.286 . 0 0 "[ . 1 . 2]" 1
945 1 33 ALA MB 1 37 LEU H 6.830 . 6.830 4.659 4.485 4.751 . 0 0 "[ . 1 . 2]" 1
946 1 33 ALA MB 1 37 LEU MD1 4.650 . 4.650 3.063 2.748 3.243 . 0 0 "[ . 1 . 2]" 1
947 1 33 ALA MB 1 37 LEU MD2 5.440 . 5.440 4.314 4.040 4.490 . 0 0 "[ . 1 . 2]" 1
948 1 33 ALA MB 1 62 GLY H 6.830 . 6.830 5.342 4.203 6.220 . 0 0 "[ . 1 . 2]" 1
949 1 33 ALA MB 1 62 GLY HA2 6.300 . 6.300 3.833 2.727 4.707 . 0 0 "[ . 1 . 2]" 1
950 1 33 ALA MB 1 62 GLY HA3 5.790 . 5.790 3.494 2.265 4.397 . 0 0 "[ . 1 . 2]" 1
951 1 33 ALA O 1 37 LEU H 1.900 . 2.000 2.037 1.960 2.081 0.081 7 0 "[ . 1 . 2]" 1
952 1 33 ALA O 1 37 LEU N 2.850 2.700 3.000 2.974 2.881 3.043 0.043 7 0 "[ . 1 . 2]" 1
953 1 34 ARG H 1 34 ARG HB2 3.940 . 3.940 2.447 2.325 2.613 . 0 0 "[ . 1 . 2]" 1
954 1 34 ARG H 1 34 ARG HB3 4.110 . 4.110 3.610 3.569 3.657 . 0 0 "[ . 1 . 2]" 1
955 1 34 ARG H 1 34 ARG HD2 6.690 . 6.690 4.424 3.881 4.919 . 0 0 "[ . 1 . 2]" 1
956 1 34 ARG H 1 34 ARG HD3 6.690 . 6.690 4.371 3.726 4.946 . 0 0 "[ . 1 . 2]" 1
957 1 34 ARG H 1 34 ARG HG2 4.360 . 4.360 3.655 3.366 3.880 . 0 0 "[ . 1 . 2]" 1
958 1 34 ARG H 1 34 ARG HG3 5.100 . 5.100 2.419 2.224 2.654 . 0 0 "[ . 1 . 2]" 1
959 1 34 ARG H 1 35 GLU H 4.030 . 4.030 2.796 2.682 2.984 . 0 0 "[ . 1 . 2]" 1
960 1 34 ARG H 1 35 GLU QB 6.410 . 6.410 4.813 4.482 4.992 . 0 0 "[ . 1 . 2]" 1
961 1 34 ARG H 1 51 LEU MD1 6.360 . 6.360 5.220 4.318 5.892 . 0 0 "[ . 1 . 2]" 1
962 1 34 ARG H 1 51 LEU MD2 6.010 . 6.010 4.995 4.359 5.536 . 0 0 "[ . 1 . 2]" 1
963 1 34 ARG HA 1 37 LEU H 5.350 . 5.350 3.653 3.425 3.914 . 0 0 "[ . 1 . 2]" 1
964 1 34 ARG HA 1 37 LEU HB2 4.980 . 4.980 2.766 2.422 2.987 . 0 0 "[ . 1 . 2]" 1
965 1 34 ARG HA 1 37 LEU HB3 5.590 . 5.590 4.375 4.024 4.652 . 0 0 "[ . 1 . 2]" 1
966 1 34 ARG HA 1 37 LEU MD1 4.660 . 4.660 2.658 1.930 3.244 . 0 0 "[ . 1 . 2]" 1
967 1 34 ARG HA 1 37 LEU HG 6.670 . 6.670 3.868 3.485 4.283 . 0 0 "[ . 1 . 2]" 1
968 1 34 ARG HA 1 38 ILE H 5.810 . 5.810 4.127 3.923 4.269 . 0 0 "[ . 1 . 2]" 1
969 1 34 ARG HA 1 51 LEU MD1 6.230 . 6.230 4.227 3.163 4.979 . 0 0 "[ . 1 . 2]" 1
970 1 34 ARG HA 1 51 LEU MD2 5.750 . 5.750 3.345 2.780 3.894 . 0 0 "[ . 1 . 2]" 1
971 1 34 ARG HB2 1 35 GLU H 4.610 . 4.610 2.580 2.327 2.841 . 0 0 "[ . 1 . 2]" 1
972 1 34 ARG HB2 1 38 ILE MD 6.260 . 6.260 4.216 3.765 4.692 . 0 0 "[ . 1 . 2]" 1
973 1 34 ARG HB3 1 34 ARG HE 5.150 . 5.150 3.329 1.922 4.619 . 0 0 "[ . 1 . 2]" 1
974 1 34 ARG HB3 1 35 GLU H 4.490 . 4.490 3.467 3.185 3.764 . 0 0 "[ . 1 . 2]" 1
975 1 34 ARG HB3 1 38 ILE MD 6.180 . 6.180 3.239 2.898 3.780 . 0 0 "[ . 1 . 2]" 1
976 1 34 ARG QD 1 38 ILE MD 5.930 . 5.930 4.804 4.066 5.514 . 0 0 "[ . 1 . 2]" 1
977 1 34 ARG HD2 1 35 GLU H 6.710 . 6.710 5.667 4.639 6.504 . 0 0 "[ . 1 . 2]" 1
978 1 34 ARG HD2 1 51 LEU MD1 6.110 . 6.110 3.728 2.453 5.263 . 0 0 "[ . 1 . 2]" 1
979 1 34 ARG HD3 1 35 GLU H 6.710 . 6.710 5.289 4.819 5.816 . 0 0 "[ . 1 . 2]" 1
980 1 34 ARG HD3 1 51 LEU MD1 6.110 . 6.110 4.122 3.319 5.114 . 0 0 "[ . 1 . 2]" 1
981 1 34 ARG HE 1 38 ILE MD 6.500 . 6.500 5.241 3.653 6.685 0.185 12 0 "[ . 1 . 2]" 1
982 1 34 ARG HG2 1 35 GLU H 6.350 . 6.350 5.063 4.885 5.242 . 0 0 "[ . 1 . 2]" 1
983 1 34 ARG HG2 1 37 LEU HB3 6.670 . 6.670 6.317 5.856 6.832 0.162 12 0 "[ . 1 . 2]" 1
984 1 34 ARG HG2 1 37 LEU MD1 6.240 . 6.240 4.052 3.446 4.684 . 0 0 "[ . 1 . 2]" 1
985 1 34 ARG HG2 1 51 LEU MD1 4.760 . 4.760 2.488 1.695 3.158 . 0 0 "[ . 1 . 2]" 1
986 1 34 ARG HG2 1 51 LEU MD2 5.780 . 5.780 3.051 2.193 4.099 . 0 0 "[ . 1 . 2]" 1
987 1 34 ARG HG3 1 35 GLU H 6.580 . 6.580 4.482 4.184 4.709 . 0 0 "[ . 1 . 2]" 1
988 1 34 ARG HG3 1 51 LEU MD1 5.210 . 5.210 3.453 2.715 4.177 . 0 0 "[ . 1 . 2]" 1
989 1 34 ARG O 1 38 ILE H 1.900 . 2.000 1.950 1.864 2.029 0.029 15 0 "[ . 1 . 2]" 1
990 1 34 ARG O 1 38 ILE N 2.850 2.700 3.000 2.851 2.770 2.969 . 0 0 "[ . 1 . 2]" 1
991 1 35 GLU H 1 35 GLU QB 3.770 . 3.770 2.460 2.194 2.629 . 0 0 "[ . 1 . 2]" 1
992 1 35 GLU H 1 35 GLU HG2 4.730 . 4.730 2.994 2.073 4.386 . 0 0 "[ . 1 . 2]" 1
993 1 35 GLU H 1 35 GLU QG 4.150 . 4.150 2.288 2.060 3.978 . 0 0 "[ . 1 . 2]" 1
994 1 35 GLU H 1 35 GLU HG3 4.730 . 4.730 2.929 2.166 4.555 . 0 0 "[ . 1 . 2]" 1
995 1 35 GLU H 1 36 ASP H 4.020 . 4.020 2.628 2.481 2.734 . 0 0 "[ . 1 . 2]" 1
996 1 35 GLU H 1 36 ASP QB 6.560 . 6.560 4.336 4.193 4.509 . 0 0 "[ . 1 . 2]" 1
997 1 35 GLU H 1 38 ILE MD 6.170 . 6.170 4.171 3.788 4.678 . 0 0 "[ . 1 . 2]" 1
998 1 35 GLU HA 1 37 LEU H 5.570 . 5.570 4.503 4.343 4.617 . 0 0 "[ . 1 . 2]" 1
999 1 35 GLU HA 1 38 ILE H 4.870 . 4.870 3.429 3.008 3.798 . 0 0 "[ . 1 . 2]" 1
1000 1 35 GLU HA 1 38 ILE HB 4.190 . 4.190 2.572 1.986 3.108 . 0 0 "[ . 1 . 2]" 1
1001 1 35 GLU HA 1 38 ILE MD 4.240 . 4.240 2.342 1.882 2.969 . 0 0 "[ . 1 . 2]" 1
1002 1 35 GLU HA 1 38 ILE HG12 6.460 . 6.460 4.605 4.082 5.147 . 0 0 "[ . 1 . 2]" 1
1003 1 35 GLU HA 1 38 ILE HG13 6.030 . 6.030 3.343 2.750 3.823 . 0 0 "[ . 1 . 2]" 1
1004 1 35 GLU HA 1 38 ILE MG 5.080 . 5.080 3.905 3.409 4.406 . 0 0 "[ . 1 . 2]" 1
1005 1 35 GLU HA 1 39 LYS H 5.500 . 5.500 4.033 3.704 4.262 . 0 0 "[ . 1 . 2]" 1
1006 1 35 GLU QB 1 36 ASP H 4.290 . 4.290 2.626 2.387 2.880 . 0 0 "[ . 1 . 2]" 1
1007 1 35 GLU QB 1 36 ASP QB 6.340 . 6.340 3.938 3.688 4.244 . 0 0 "[ . 1 . 2]" 1
1008 1 35 GLU QB 1 39 LYS H 6.830 . 6.830 4.768 4.490 5.379 . 0 0 "[ . 1 . 2]" 1
1009 1 35 GLU QG 1 36 ASP H 5.820 . 5.820 4.069 3.845 4.280 . 0 0 "[ . 1 . 2]" 1
1010 1 35 GLU QG 1 38 ILE MD 6.030 . 6.030 3.517 2.298 4.246 . 0 0 "[ . 1 . 2]" 1
1011 1 35 GLU HG2 1 36 ASP H 6.590 . 6.590 4.701 4.044 5.116 . 0 0 "[ . 1 . 2]" 1
1012 1 35 GLU HG2 1 38 ILE MD 6.830 . 6.830 3.701 2.330 4.557 . 0 0 "[ . 1 . 2]" 1
1013 1 35 GLU HG3 1 36 ASP H 6.590 . 6.590 4.613 4.289 5.033 . 0 0 "[ . 1 . 2]" 1
1014 1 35 GLU HG3 1 38 ILE MD 6.830 . 6.830 4.462 3.504 5.741 . 0 0 "[ . 1 . 2]" 1
1015 1 35 GLU O 1 39 LYS H 1.900 . 2.000 2.055 2.014 2.098 0.098 16 0 "[ . 1 . 2]" 1
1016 1 35 GLU O 1 39 LYS N 2.850 2.700 3.000 2.980 2.923 3.060 0.060 16 0 "[ . 1 . 2]" 1
1017 1 36 ASP H 1 36 ASP HB2 3.940 . 3.940 2.519 2.447 2.654 . 0 0 "[ . 1 . 2]" 1
1018 1 36 ASP H 1 36 ASP HB3 3.940 . 3.940 2.512 2.397 2.610 . 0 0 "[ . 1 . 2]" 1
1019 1 36 ASP H 1 37 LEU HB2 5.850 . 5.850 4.723 4.579 4.903 . 0 0 "[ . 1 . 2]" 1
1020 1 36 ASP HA 1 38 ILE H 6.590 . 6.590 4.540 4.365 4.736 . 0 0 "[ . 1 . 2]" 1
1021 1 36 ASP HA 1 38 ILE HB 5.900 . 5.900 5.266 4.859 5.451 . 0 0 "[ . 1 . 2]" 1
1022 1 36 ASP HA 1 39 LYS H 4.940 . 4.940 3.632 3.251 3.912 . 0 0 "[ . 1 . 2]" 1
1023 1 36 ASP HA 1 39 LYS QB 4.170 . 4.170 2.751 2.344 3.247 . 0 0 "[ . 1 . 2]" 1
1024 1 36 ASP HA 1 39 LYS QD 5.300 . 5.300 3.857 1.669 5.421 0.121 12 0 "[ . 1 . 2]" 1
1025 1 36 ASP HA 1 39 LYS QG 6.580 . 6.580 4.574 3.342 5.273 . 0 0 "[ . 1 . 2]" 1
1026 1 36 ASP HA 1 40 LYS H 5.740 . 5.740 4.175 3.943 4.308 . 0 0 "[ . 1 . 2]" 1
1027 1 36 ASP HA 1 40 LYS QD 6.580 . 6.580 4.710 3.331 5.897 . 0 0 "[ . 1 . 2]" 1
1028 1 36 ASP QB 1 37 LEU H 4.010 . 4.010 2.452 2.262 2.684 . 0 0 "[ . 1 . 2]" 1
1029 1 36 ASP QB 1 37 LEU HA 6.130 . 6.130 4.189 4.066 4.322 . 0 0 "[ . 1 . 2]" 1
1030 1 36 ASP QB 1 37 LEU HG 6.440 . 6.440 3.179 2.833 3.441 . 0 0 "[ . 1 . 2]" 1
1031 1 36 ASP HB2 1 37 LEU H 4.920 . 4.920 3.790 3.660 3.914 . 0 0 "[ . 1 . 2]" 1
1032 1 36 ASP HB3 1 37 LEU H 4.920 . 4.920 2.484 2.284 2.734 . 0 0 "[ . 1 . 2]" 1
1033 1 36 ASP O 1 40 LYS H 1.900 . 2.000 2.054 1.967 2.108 0.108 1 0 "[ . 1 . 2]" 1
1034 1 36 ASP O 1 40 LYS N 2.850 2.700 3.000 3.021 2.939 3.086 0.086 7 0 "[ . 1 . 2]" 1
1035 1 37 LEU H 1 37 LEU HB2 3.910 . 3.910 2.437 2.364 2.495 . 0 0 "[ . 1 . 2]" 1
1036 1 37 LEU H 1 37 LEU MD1 4.600 . 4.600 3.595 3.433 3.729 . 0 0 "[ . 1 . 2]" 1
1037 1 37 LEU H 1 37 LEU MD2 5.150 . 5.150 3.490 3.298 3.652 . 0 0 "[ . 1 . 2]" 1
1038 1 37 LEU H 1 37 LEU HG 4.000 . 4.000 2.372 2.204 2.546 . 0 0 "[ . 1 . 2]" 1
1039 1 37 LEU H 1 38 ILE MD 6.830 . 6.830 5.385 5.225 5.722 . 0 0 "[ . 1 . 2]" 1
1040 1 37 LEU HA 1 37 LEU MD2 3.760 . 3.760 2.087 1.991 2.152 . 0 0 "[ . 1 . 2]" 1
1041 1 37 LEU HA 1 37 LEU HG 4.410 . 4.410 3.048 2.976 3.142 . 0 0 "[ . 1 . 2]" 1
1042 1 37 LEU HA 1 39 LYS H 6.230 . 6.230 4.493 4.293 4.739 . 0 0 "[ . 1 . 2]" 1
1043 1 37 LEU HA 1 40 LYS H 5.100 . 5.100 3.605 3.242 3.870 . 0 0 "[ . 1 . 2]" 1
1044 1 37 LEU HA 1 40 LYS HB2 4.830 . 4.830 2.933 2.533 3.262 . 0 0 "[ . 1 . 2]" 1
1045 1 37 LEU HA 1 40 LYS HB3 5.620 . 5.620 4.547 4.100 4.917 . 0 0 "[ . 1 . 2]" 1
1046 1 37 LEU HA 1 40 LYS QD 5.070 . 5.070 3.362 2.668 3.873 . 0 0 "[ . 1 . 2]" 1
1047 1 37 LEU HA 1 41 ALA H 5.550 . 5.550 3.796 3.509 4.047 . 0 0 "[ . 1 . 2]" 1
1048 1 37 LEU HB2 1 38 ILE H 4.480 . 4.480 2.771 2.566 2.961 . 0 0 "[ . 1 . 2]" 1
1049 1 37 LEU HB2 1 38 ILE HG12 6.140 . 6.140 5.147 4.888 5.431 . 0 0 "[ . 1 . 2]" 1
1050 1 37 LEU HB2 1 49 VAL MG1 5.110 . 5.110 2.736 2.556 3.244 . 0 0 "[ . 1 . 2]" 1
1051 1 37 LEU HB3 1 38 ILE H 4.890 . 4.890 3.714 3.509 3.914 . 0 0 "[ . 1 . 2]" 1
1052 1 37 LEU HB3 1 49 VAL HB 6.470 . 6.470 4.261 3.404 4.744 . 0 0 "[ . 1 . 2]" 1
1053 1 37 LEU MD1 1 38 ILE H 6.520 . 6.520 4.677 4.481 4.878 . 0 0 "[ . 1 . 2]" 1
1054 1 37 LEU MD1 1 38 ILE HG13 6.670 . 6.670 5.280 4.941 5.573 . 0 0 "[ . 1 . 2]" 1
1055 1 37 LEU MD1 1 51 LEU H 6.830 . 6.830 5.427 4.965 5.786 . 0 0 "[ . 1 . 2]" 1
1056 1 37 LEU MD1 1 51 LEU HA 6.410 . 6.410 3.994 3.650 4.504 . 0 0 "[ . 1 . 2]" 1
1057 1 37 LEU MD1 1 62 GLY HA2 6.160 . 6.160 3.592 2.752 4.511 . 0 0 "[ . 1 . 2]" 1
1058 1 37 LEU MD1 1 62 GLY HA3 5.280 . 5.280 3.753 2.754 4.498 . 0 0 "[ . 1 . 2]" 1
1059 1 37 LEU MD1 1 63 THR H 5.630 . 5.630 4.128 3.196 5.007 . 0 0 "[ . 1 . 2]" 1
1060 1 37 LEU MD1 1 63 THR HA 6.450 . 6.450 4.120 3.188 4.936 . 0 0 "[ . 1 . 2]" 1
1061 1 37 LEU MD1 1 64 ALA H 6.580 . 6.580 4.003 3.338 4.586 . 0 0 "[ . 1 . 2]" 1
1062 1 37 LEU MD1 1 64 ALA MB 3.610 . 3.610 1.970 1.687 2.181 . 0 0 "[ . 1 . 2]" 1
1063 1 37 LEU MD2 1 38 ILE H 6.350 . 6.350 4.817 4.756 4.870 . 0 0 "[ . 1 . 2]" 1
1064 1 37 LEU MD2 1 40 LYS HB2 6.450 . 6.450 3.864 3.458 4.248 . 0 0 "[ . 1 . 2]" 1
1065 1 37 LEU MD2 1 40 LYS HD2 5.910 . 5.910 3.780 2.228 6.031 0.121 19 0 "[ . 1 . 2]" 1
1066 1 37 LEU MD2 1 40 LYS QD 5.110 . 5.110 3.294 2.208 4.540 . 0 0 "[ . 1 . 2]" 1
1067 1 37 LEU MD2 1 40 LYS HD3 5.910 . 5.910 4.220 3.548 5.041 . 0 0 "[ . 1 . 2]" 1
1068 1 37 LEU MD2 1 63 THR HA 5.260 . 5.260 3.561 2.958 4.197 . 0 0 "[ . 1 . 2]" 1
1069 1 37 LEU MD2 1 64 ALA H 5.540 . 5.540 3.404 2.730 3.723 . 0 0 "[ . 1 . 2]" 1
1070 1 37 LEU MD2 1 64 ALA MB 3.910 . 3.910 2.419 1.919 2.940 . 0 0 "[ . 1 . 2]" 1
1071 1 37 LEU O 1 41 ALA H 1.900 . 2.000 2.056 2.003 2.101 0.101 19 0 "[ . 1 . 2]" 1
1072 1 37 LEU O 1 41 ALA N 2.850 2.700 3.000 2.982 2.927 3.033 0.033 19 0 "[ . 1 . 2]" 1
1073 1 38 ILE H 1 38 ILE HB 3.690 . 3.690 2.505 2.428 2.614 . 0 0 "[ . 1 . 2]" 1
1074 1 38 ILE H 1 38 ILE MD 4.730 . 4.730 3.681 3.569 3.873 . 0 0 "[ . 1 . 2]" 1
1075 1 38 ILE H 1 38 ILE HG12 4.770 . 4.770 3.634 3.401 3.776 . 0 0 "[ . 1 . 2]" 1
1076 1 38 ILE H 1 38 ILE HG13 4.040 . 4.040 2.368 2.143 2.583 . 0 0 "[ . 1 . 2]" 1
1077 1 38 ILE H 1 38 ILE MG 4.790 . 4.790 3.834 3.801 3.869 . 0 0 "[ . 1 . 2]" 1
1078 1 38 ILE H 1 40 LYS QD 6.580 . 6.580 6.013 5.452 6.585 0.005 9 0 "[ . 1 . 2]" 1
1079 1 38 ILE H 1 41 ALA MB 5.580 . 5.580 4.640 4.431 4.788 . 0 0 "[ . 1 . 2]" 1
1080 1 38 ILE H 1 49 VAL MG2 6.830 . 6.830 3.816 3.318 4.190 . 0 0 "[ . 1 . 2]" 1
1081 1 38 ILE HA 1 38 ILE MD 4.460 . 4.460 3.896 3.819 3.925 . 0 0 "[ . 1 . 2]" 1
1082 1 38 ILE HA 1 41 ALA H 5.050 . 5.050 3.862 3.552 4.120 . 0 0 "[ . 1 . 2]" 1
1083 1 38 ILE HA 1 41 ALA MB 3.990 . 3.990 2.834 2.486 3.206 . 0 0 "[ . 1 . 2]" 1
1084 1 38 ILE HA 1 42 ASP H 5.680 . 5.680 4.019 3.593 4.189 . 0 0 "[ . 1 . 2]" 1
1085 1 38 ILE HA 1 49 VAL MG1 5.730 . 5.730 3.819 3.198 4.383 . 0 0 "[ . 1 . 2]" 1
1086 1 38 ILE HA 1 49 VAL MG2 4.510 . 4.510 2.199 1.871 2.694 . 0 0 "[ . 1 . 2]" 1
1087 1 38 ILE HB 1 39 LYS H 4.170 . 4.170 2.528 2.372 2.774 . 0 0 "[ . 1 . 2]" 1
1088 1 38 ILE MD 1 39 LYS H 5.840 . 5.840 4.568 4.433 4.821 . 0 0 "[ . 1 . 2]" 1
1089 1 38 ILE HG12 1 49 VAL HB 5.800 . 5.800 4.311 3.659 5.141 . 0 0 "[ . 1 . 2]" 1
1090 1 38 ILE HG13 1 39 LYS H 6.120 . 6.120 4.362 4.187 4.575 . 0 0 "[ . 1 . 2]" 1
1091 1 38 ILE HG13 1 41 ALA MB 6.830 . 6.830 5.238 4.991 5.563 . 0 0 "[ . 1 . 2]" 1
1092 1 38 ILE HG13 1 49 VAL MG1 6.160 . 6.160 4.229 3.711 5.234 . 0 0 "[ . 1 . 2]" 1
1093 1 38 ILE HG13 1 49 VAL MG2 6.830 . 6.830 3.547 3.052 4.159 . 0 0 "[ . 1 . 2]" 1
1094 1 38 ILE MG 1 39 LYS H 4.730 . 4.730 3.222 2.997 3.481 . 0 0 "[ . 1 . 2]" 1
1095 1 38 ILE MG 1 39 LYS HA 5.330 . 5.330 3.222 2.908 3.619 . 0 0 "[ . 1 . 2]" 1
1096 1 38 ILE MG 1 41 ALA H 6.080 . 6.080 5.077 4.813 5.260 . 0 0 "[ . 1 . 2]" 1
1097 1 38 ILE MG 1 42 ASP H 5.950 . 5.950 4.149 3.825 4.342 . 0 0 "[ . 1 . 2]" 1
1098 1 38 ILE MG 1 42 ASP QB 6.080 . 6.080 3.122 2.718 4.019 . 0 0 "[ . 1 . 2]" 1
1099 1 38 ILE O 1 42 ASP H 1.900 . 2.000 2.002 1.925 2.056 0.056 15 0 "[ . 1 . 2]" 1
1100 1 38 ILE O 1 42 ASP N 2.850 2.700 3.000 2.871 2.787 2.957 . 0 0 "[ . 1 . 2]" 1
1101 1 39 LYS H 1 39 LYS QB 3.560 . 3.560 2.236 2.169 2.326 . 0 0 "[ . 1 . 2]" 1
1102 1 39 LYS H 1 39 LYS QG 4.590 . 4.590 3.933 2.574 4.100 . 0 0 "[ . 1 . 2]" 1
1103 1 39 LYS H 1 40 LYS H 3.930 . 3.930 2.838 2.749 3.019 . 0 0 "[ . 1 . 2]" 1
1104 1 39 LYS H 1 41 ALA H 5.240 . 5.240 4.278 4.112 4.426 . 0 0 "[ . 1 . 2]" 1
1105 1 39 LYS HA 1 41 ALA H 5.830 . 5.830 4.771 4.596 4.979 . 0 0 "[ . 1 . 2]" 1
1106 1 39 LYS HA 1 42 ASP H 4.840 . 4.840 3.838 3.485 4.190 . 0 0 "[ . 1 . 2]" 1
1107 1 39 LYS HA 1 42 ASP QB 4.110 . 4.110 2.959 2.604 3.434 . 0 0 "[ . 1 . 2]" 1
1108 1 39 LYS QB 1 40 LYS H 4.010 . 4.010 2.368 2.181 2.508 . 0 0 "[ . 1 . 2]" 1
1109 1 39 LYS QB 1 40 LYS HA 5.650 . 5.650 4.155 3.814 4.307 . 0 0 "[ . 1 . 2]" 1
1110 1 39 LYS QD 1 40 LYS H 5.180 . 5.180 4.442 3.495 4.972 . 0 0 "[ . 1 . 2]" 1
1111 1 39 LYS QE 1 40 LYS HA 6.830 . 6.830 5.209 2.770 6.221 . 0 0 "[ . 1 . 2]" 1
1112 1 39 LYS QG 1 40 LYS H 5.350 . 5.350 3.515 3.035 4.245 . 0 0 "[ . 1 . 2]" 1
1113 1 39 LYS QG 1 40 LYS HA 5.740 . 5.740 3.735 3.112 5.737 . 0 0 "[ . 1 . 2]" 1
1114 1 39 LYS QG 1 41 ALA H 6.370 . 6.370 5.461 5.140 6.083 . 0 0 "[ . 1 . 2]" 1
1115 1 39 LYS QG 1 43 GLU H 5.700 . 5.700 4.604 4.381 5.852 0.152 1 0 "[ . 1 . 2]" 1
1116 1 39 LYS QG 1 43 GLU QG 6.050 . 6.050 3.754 2.725 6.166 0.116 1 0 "[ . 1 . 2]" 1
1117 1 39 LYS O 1 43 GLU H 1.900 . 2.000 2.068 2.044 2.115 0.115 11 0 "[ . 1 . 2]" 1
1118 1 39 LYS O 1 43 GLU N 2.850 2.700 3.000 3.012 2.954 3.091 0.091 11 0 "[ . 1 . 2]" 1
1119 1 40 LYS H 1 40 LYS HB2 3.960 . 3.960 2.443 2.270 2.762 . 0 0 "[ . 1 . 2]" 1
1120 1 40 LYS H 1 40 LYS QD 4.250 . 4.250 3.626 2.197 4.123 . 0 0 "[ . 1 . 2]" 1
1121 1 40 LYS H 1 40 LYS HG2 5.530 . 5.530 3.644 3.208 4.025 . 0 0 "[ . 1 . 2]" 1
1122 1 40 LYS H 1 40 LYS HG3 4.360 . 4.360 2.547 2.012 4.015 . 0 0 "[ . 1 . 2]" 1
1123 1 40 LYS H 1 41 ALA H 3.850 . 3.850 2.736 2.565 2.838 . 0 0 "[ . 1 . 2]" 1
1124 1 40 LYS H 1 41 ALA MB 5.320 . 5.320 4.412 4.296 4.511 . 0 0 "[ . 1 . 2]" 1
1125 1 40 LYS HA 1 40 LYS HD2 5.520 . 5.520 4.520 2.470 4.781 . 0 0 "[ . 1 . 2]" 1
1126 1 40 LYS HA 1 40 LYS QD 4.770 . 4.770 3.937 2.434 4.176 . 0 0 "[ . 1 . 2]" 1
1127 1 40 LYS HA 1 40 LYS HD3 5.520 . 5.520 4.407 3.675 4.605 . 0 0 "[ . 1 . 2]" 1
1128 1 40 LYS HA 1 40 LYS HE2 6.830 . 6.830 5.290 4.198 6.117 . 0 0 "[ . 1 . 2]" 1
1129 1 40 LYS HA 1 40 LYS QE 6.000 . 6.000 4.719 3.951 5.297 . 0 0 "[ . 1 . 2]" 1
1130 1 40 LYS HA 1 40 LYS HE3 6.830 . 6.830 5.412 4.815 6.413 . 0 0 "[ . 1 . 2]" 1
1131 1 40 LYS HA 1 40 LYS HG2 4.090 . 4.090 2.733 2.405 3.727 . 0 0 "[ . 1 . 2]" 1
1132 1 40 LYS HA 1 40 LYS HG3 4.160 . 4.160 2.928 2.528 3.307 . 0 0 "[ . 1 . 2]" 1
1133 1 40 LYS HA 1 41 ALA MB 6.460 . 6.460 5.080 5.031 5.128 . 0 0 "[ . 1 . 2]" 1
1134 1 40 LYS HA 1 42 ASP H 6.350 . 6.350 4.401 4.197 4.846 . 0 0 "[ . 1 . 2]" 1
1135 1 40 LYS HA 1 43 GLU H 4.600 . 4.600 3.568 3.068 3.916 . 0 0 "[ . 1 . 2]" 1
1136 1 40 LYS HA 1 43 GLU HB2 4.450 . 4.450 2.988 2.186 3.740 . 0 0 "[ . 1 . 2]" 1
1137 1 40 LYS HA 1 43 GLU HB3 5.120 . 5.120 3.848 2.268 5.020 . 0 0 "[ . 1 . 2]" 1
1138 1 40 LYS HA 1 43 GLU HG2 5.720 . 5.720 4.304 2.445 5.561 . 0 0 "[ . 1 . 2]" 1
1139 1 40 LYS HA 1 43 GLU QG 4.990 . 4.990 3.495 2.288 4.441 . 0 0 "[ . 1 . 2]" 1
1140 1 40 LYS HA 1 43 GLU HG3 5.720 . 5.720 3.872 2.754 5.438 . 0 0 "[ . 1 . 2]" 1
1141 1 40 LYS HA 1 44 LYS H 5.800 . 5.800 4.291 3.958 4.423 . 0 0 "[ . 1 . 2]" 1
1142 1 40 LYS HB2 1 41 ALA H 4.410 . 4.410 2.634 2.317 3.006 . 0 0 "[ . 1 . 2]" 1
1143 1 40 LYS HB2 1 41 ALA HA 6.200 . 6.200 4.470 3.989 4.787 . 0 0 "[ . 1 . 2]" 1
1144 1 40 LYS HB3 1 41 ALA H 4.910 . 4.910 3.538 3.199 3.798 . 0 0 "[ . 1 . 2]" 1
1145 1 40 LYS HB3 1 43 GLU H 6.700 . 6.700 5.508 5.196 5.772 . 0 0 "[ . 1 . 2]" 1
1146 1 40 LYS QD 1 41 ALA H 6.580 . 6.580 4.702 4.249 5.078 . 0 0 "[ . 1 . 2]" 1
1147 1 40 LYS HG2 1 41 ALA H 6.830 . 6.830 5.071 4.816 5.361 . 0 0 "[ . 1 . 2]" 1
1148 1 40 LYS HG3 1 41 ALA H 6.120 . 6.120 4.499 3.915 5.169 . 0 0 "[ . 1 . 2]" 1
1149 1 40 LYS HG3 1 43 GLU H 6.830 . 6.830 6.164 5.486 6.554 . 0 0 "[ . 1 . 2]" 1
1150 1 40 LYS O 1 44 LYS H 1.900 . 2.000 2.072 2.002 2.120 0.120 3 0 "[ . 1 . 2]" 1
1151 1 40 LYS O 1 44 LYS N 2.850 2.700 3.000 2.926 2.828 3.014 0.014 4 0 "[ . 1 . 2]" 1
1152 1 41 ALA H 1 41 ALA MB 3.540 . 3.540 2.256 2.216 2.303 . 0 0 "[ . 1 . 2]" 1
1153 1 41 ALA H 1 42 ASP H 4.010 . 4.010 2.690 2.571 2.815 . 0 0 "[ . 1 . 2]" 1
1154 1 41 ALA H 1 49 VAL MG1 6.010 . 6.010 4.539 4.166 4.901 . 0 0 "[ . 1 . 2]" 1
1155 1 41 ALA H 1 49 VAL MG2 5.610 . 5.610 3.944 3.756 4.052 . 0 0 "[ . 1 . 2]" 1
1156 1 41 ALA H 1 66 ILE MD 6.720 . 6.720 5.061 4.344 5.667 . 0 0 "[ . 1 . 2]" 1
1157 1 41 ALA H 1 66 ILE MG 5.840 . 5.840 4.009 3.756 4.232 . 0 0 "[ . 1 . 2]" 1
1158 1 41 ALA HA 1 43 GLU H 5.890 . 5.890 4.556 4.302 4.713 . 0 0 "[ . 1 . 2]" 1
1159 1 41 ALA HA 1 44 LYS H 5.020 . 5.020 3.304 3.016 3.554 . 0 0 "[ . 1 . 2]" 1
1160 1 41 ALA HA 1 44 LYS HB2 4.750 . 4.750 2.505 2.066 2.885 . 0 0 "[ . 1 . 2]" 1
1161 1 41 ALA HA 1 44 LYS HB3 5.720 . 5.720 4.016 2.379 4.469 . 0 0 "[ . 1 . 2]" 1
1162 1 41 ALA HA 1 44 LYS HG2 5.930 . 5.930 3.829 2.329 5.281 . 0 0 "[ . 1 . 2]" 1
1163 1 41 ALA HA 1 44 LYS QG 5.110 . 5.110 3.372 2.204 4.512 . 0 0 "[ . 1 . 2]" 1
1164 1 41 ALA HA 1 44 LYS HG3 5.930 . 5.930 3.945 2.723 5.684 . 0 0 "[ . 1 . 2]" 1
1165 1 41 ALA HA 1 46 ALA H 5.380 . 5.380 3.920 3.353 4.373 . 0 0 "[ . 1 . 2]" 1
1166 1 41 ALA HA 1 46 ALA MB 4.450 . 4.450 2.977 2.649 3.217 . 0 0 "[ . 1 . 2]" 1
1167 1 41 ALA HA 1 49 VAL MG2 5.300 . 5.300 4.332 4.104 4.475 . 0 0 "[ . 1 . 2]" 1
1168 1 41 ALA HA 1 66 ILE HB 6.600 . 6.600 3.954 3.596 4.304 . 0 0 "[ . 1 . 2]" 1
1169 1 41 ALA HA 1 66 ILE MD 4.360 . 4.360 3.067 2.271 3.785 . 0 0 "[ . 1 . 2]" 1
1170 1 41 ALA HA 1 66 ILE MG 4.130 . 4.130 2.725 2.238 3.131 . 0 0 "[ . 1 . 2]" 1
1171 1 41 ALA MB 1 42 ASP H 3.890 . 3.890 2.647 2.295 2.896 . 0 0 "[ . 1 . 2]" 1
1172 1 41 ALA MB 1 42 ASP HA 5.640 . 5.640 3.908 3.742 4.084 . 0 0 "[ . 1 . 2]" 1
1173 1 41 ALA MB 1 42 ASP QB 6.580 . 6.580 3.907 3.511 4.314 . 0 0 "[ . 1 . 2]" 1
1174 1 41 ALA MB 1 43 GLU H 5.840 . 5.840 4.641 4.399 4.847 . 0 0 "[ . 1 . 2]" 1
1175 1 41 ALA MB 1 44 LYS H 6.070 . 6.070 4.457 4.312 4.589 . 0 0 "[ . 1 . 2]" 1
1176 1 41 ALA MB 1 46 ALA H 4.760 . 4.760 3.732 3.386 3.901 . 0 0 "[ . 1 . 2]" 1
1177 1 41 ALA MB 1 47 ASP H 6.550 . 6.550 5.181 4.736 5.446 . 0 0 "[ . 1 . 2]" 1
1178 1 41 ALA MB 1 48 VAL H 6.830 . 6.830 4.938 4.475 5.266 . 0 0 "[ . 1 . 2]" 1
1179 1 41 ALA MB 1 49 VAL HB 6.080 . 6.080 4.355 4.158 4.478 . 0 0 "[ . 1 . 2]" 1
1180 1 41 ALA MB 1 49 VAL MG2 3.320 . 3.320 1.962 1.882 2.010 . 0 0 "[ . 1 . 2]" 1
1181 1 41 ALA MB 1 66 ILE HA 6.130 . 6.130 4.030 3.816 4.442 . 0 0 "[ . 1 . 2]" 1
1182 1 41 ALA MB 1 66 ILE MG 3.760 . 3.760 2.073 1.982 2.332 . 0 0 "[ . 1 . 2]" 1
1183 1 41 ALA O 1 46 ALA H 1.900 . 2.000 1.985 1.905 2.053 0.053 5 0 "[ . 1 . 2]" 1
1184 1 41 ALA O 1 46 ALA N 2.850 2.700 3.000 2.791 2.695 2.892 0.005 10 0 "[ . 1 . 2]" 1
1185 1 42 ASP H 1 42 ASP QB 3.650 . 3.650 2.278 2.214 2.381 . 0 0 "[ . 1 . 2]" 1
1186 1 42 ASP H 1 43 GLU H 4.020 . 4.020 2.604 2.506 2.691 . 0 0 "[ . 1 . 2]" 1
1187 1 42 ASP H 1 44 LYS H 5.820 . 5.820 3.870 3.652 4.107 . 0 0 "[ . 1 . 2]" 1
1188 1 42 ASP HA 1 44 LYS H 6.090 . 6.090 4.212 4.034 4.377 . 0 0 "[ . 1 . 2]" 1
1189 1 42 ASP HA 1 45 GLY H 5.000 . 5.000 3.226 3.073 3.518 . 0 0 "[ . 1 . 2]" 1
1190 1 42 ASP HA 1 45 GLY QA 6.060 . 6.060 3.634 3.204 4.177 . 0 0 "[ . 1 . 2]" 1
1191 1 42 ASP HA 1 46 ALA H 5.800 . 5.800 3.515 2.497 4.245 . 0 0 "[ . 1 . 2]" 1
1192 1 42 ASP HA 1 46 ALA MB 5.900 . 5.900 4.212 3.721 5.143 . 0 0 "[ . 1 . 2]" 1
1193 1 42 ASP QB 1 43 GLU H 4.220 . 4.220 2.536 2.345 2.699 . 0 0 "[ . 1 . 2]" 1
1194 1 42 ASP QB 1 43 GLU HA 5.440 . 5.440 4.226 4.012 4.335 . 0 0 "[ . 1 . 2]" 1
1195 1 42 ASP HB2 1 43 GLU H 5.080 . 5.080 3.699 2.771 3.932 . 0 0 "[ . 1 . 2]" 1
1196 1 42 ASP HB3 1 43 GLU H 5.080 . 5.080 2.659 2.368 3.592 . 0 0 "[ . 1 . 2]" 1
1197 1 42 ASP O 1 45 GLY H 1.900 . 2.000 2.102 2.064 2.141 0.141 6 0 "[ . 1 . 2]" 1
1198 1 42 ASP O 1 45 GLY N 2.850 2.700 3.000 2.943 2.857 2.994 . 0 0 "[ . 1 . 2]" 1
1199 1 43 GLU H 1 43 GLU HB2 3.780 . 3.780 2.504 2.296 2.688 . 0 0 "[ . 1 . 2]" 1
1200 1 43 GLU H 1 43 GLU HB3 4.180 . 4.180 3.297 2.405 3.652 . 0 0 "[ . 1 . 2]" 1
1201 1 43 GLU H 1 43 GLU HG2 4.890 . 4.890 3.369 2.083 4.533 . 0 0 "[ . 1 . 2]" 1
1202 1 43 GLU H 1 43 GLU QG 4.180 . 4.180 2.821 2.070 4.077 . 0 0 "[ . 1 . 2]" 1
1203 1 43 GLU H 1 43 GLU HG3 4.890 . 4.890 3.520 2.226 4.624 . 0 0 "[ . 1 . 2]" 1
1204 1 43 GLU H 1 44 LYS H 4.000 . 4.000 2.715 2.587 2.811 . 0 0 "[ . 1 . 2]" 1
1205 1 43 GLU H 1 44 LYS HB2 6.830 . 6.830 4.927 4.630 5.145 . 0 0 "[ . 1 . 2]" 1
1206 1 43 GLU H 1 44 LYS QD 6.580 . 6.580 5.372 4.045 6.039 . 0 0 "[ . 1 . 2]" 1
1207 1 43 GLU HA 1 43 GLU QG 3.870 . 3.870 2.683 2.400 3.212 . 0 0 "[ . 1 . 2]" 1
1208 1 43 GLU HA 1 45 GLY H 5.200 . 5.200 3.810 3.643 4.147 . 0 0 "[ . 1 . 2]" 1
1209 1 43 GLU HB2 1 44 LYS H 4.700 . 4.700 3.161 2.583 4.058 . 0 0 "[ . 1 . 2]" 1
1210 1 43 GLU HB3 1 44 LYS H 4.790 . 4.790 3.479 2.589 4.050 . 0 0 "[ . 1 . 2]" 1
1211 1 43 GLU QG 1 44 LYS H 5.520 . 5.520 4.184 3.709 4.654 . 0 0 "[ . 1 . 2]" 1
1212 1 44 LYS H 1 44 LYS HB2 3.840 . 3.840 2.462 2.332 2.697 . 0 0 "[ . 1 . 2]" 1
1213 1 44 LYS H 1 44 LYS HD2 6.360 . 6.360 3.994 2.349 4.945 . 0 0 "[ . 1 . 2]" 1
1214 1 44 LYS H 1 44 LYS QD 5.520 . 5.520 3.395 2.255 4.061 . 0 0 "[ . 1 . 2]" 1
1215 1 44 LYS H 1 44 LYS HD3 6.360 . 6.360 3.923 2.910 5.012 . 0 0 "[ . 1 . 2]" 1
1216 1 44 LYS H 1 44 LYS HG2 4.760 . 4.760 3.175 2.127 4.627 . 0 0 "[ . 1 . 2]" 1
1217 1 44 LYS H 1 44 LYS QG 4.070 . 4.070 2.766 2.113 4.100 0.030 12 0 "[ . 1 . 2]" 1
1218 1 44 LYS H 1 44 LYS HG3 4.760 . 4.760 3.640 2.432 4.577 . 0 0 "[ . 1 . 2]" 1
1219 1 44 LYS H 1 45 GLY H 3.720 . 3.720 2.562 2.451 2.674 . 0 0 "[ . 1 . 2]" 1
1220 1 44 LYS H 1 45 GLY QA 5.440 . 5.440 4.480 4.377 4.588 . 0 0 "[ . 1 . 2]" 1
1221 1 44 LYS H 1 46 ALA MB 6.390 . 6.390 4.601 4.492 4.726 . 0 0 "[ . 1 . 2]" 1
1222 1 44 LYS H 1 66 ILE MD 5.940 . 5.940 4.713 4.143 5.555 . 0 0 "[ . 1 . 2]" 1
1223 1 44 LYS H 1 66 ILE MG 6.830 . 6.830 5.508 5.052 6.075 . 0 0 "[ . 1 . 2]" 1
1224 1 44 LYS HA 1 44 LYS HD2 4.850 . 4.850 3.182 2.165 4.720 . 0 0 "[ . 1 . 2]" 1
1225 1 44 LYS HA 1 44 LYS QD 4.060 . 4.060 2.688 2.031 4.105 0.045 5 0 "[ . 1 . 2]" 1
1226 1 44 LYS HA 1 44 LYS HD3 4.850 . 4.850 3.309 2.057 4.528 . 0 0 "[ . 1 . 2]" 1
1227 1 44 LYS HA 1 66 ILE MD 6.010 . 6.010 4.774 4.161 5.618 . 0 0 "[ . 1 . 2]" 1
1228 1 44 LYS HB2 1 45 GLY H 5.310 . 5.310 3.529 3.249 4.046 . 0 0 "[ . 1 . 2]" 1
1229 1 44 LYS HB2 1 66 ILE MD 4.180 . 4.180 2.753 2.352 3.649 . 0 0 "[ . 1 . 2]" 1
1230 1 44 LYS HB3 1 45 GLY H 6.290 . 6.290 4.176 3.281 4.450 . 0 0 "[ . 1 . 2]" 1
1231 1 44 LYS HB3 1 66 ILE MD 4.190 . 4.190 2.703 2.021 3.601 . 0 0 "[ . 1 . 2]" 1
1232 1 44 LYS HB3 1 66 ILE HG13 6.470 . 6.470 5.052 4.446 6.197 . 0 0 "[ . 1 . 2]" 1
1233 1 44 LYS HB3 1 66 ILE MG 6.420 . 6.420 4.849 3.986 5.630 . 0 0 "[ . 1 . 2]" 1
1234 1 44 LYS QD 1 66 ILE MD 5.120 . 5.120 3.267 2.123 4.364 . 0 0 "[ . 1 . 2]" 1
1235 1 44 LYS QE 1 66 ILE MD 5.380 . 5.380 3.495 2.416 4.645 . 0 0 "[ . 1 . 2]" 1
1236 1 44 LYS HE2 1 66 ILE MD 6.160 . 6.160 4.113 2.511 5.472 . 0 0 "[ . 1 . 2]" 1
1237 1 44 LYS HE3 1 66 ILE MD 6.160 . 6.160 3.990 3.139 5.212 . 0 0 "[ . 1 . 2]" 1
1238 1 44 LYS QG 1 66 ILE MD 4.070 . 4.070 2.678 1.997 4.033 . 0 0 "[ . 1 . 2]" 1
1239 1 44 LYS HG2 1 66 ILE MD 4.990 . 4.990 3.471 2.024 4.568 . 0 0 "[ . 1 . 2]" 1
1240 1 44 LYS HG3 1 66 ILE MD 4.990 . 4.990 3.119 2.011 4.522 . 0 0 "[ . 1 . 2]" 1
1241 1 45 GLY H 1 46 ALA MB 6.070 . 6.070 4.257 4.088 4.400 . 0 0 "[ . 1 . 2]" 1
1242 1 46 ALA H 1 46 ALA MB 3.630 . 3.630 2.289 2.231 2.510 . 0 0 "[ . 1 . 2]" 1
1243 1 46 ALA H 1 66 ILE MD 5.420 . 5.420 4.338 3.607 5.309 . 0 0 "[ . 1 . 2]" 1
1244 1 46 ALA HA 1 47 ASP H 3.710 . 3.710 2.205 2.136 2.263 . 0 0 "[ . 1 . 2]" 1
1245 1 46 ALA HA 1 48 VAL H 5.430 . 5.430 4.069 3.823 4.315 . 0 0 "[ . 1 . 2]" 1
1246 1 46 ALA HA 1 66 ILE HB 6.040 . 6.040 4.370 4.230 4.645 . 0 0 "[ . 1 . 2]" 1
1247 1 46 ALA HA 1 66 ILE MD 6.300 . 6.300 4.900 4.546 5.211 . 0 0 "[ . 1 . 2]" 1
1248 1 46 ALA HA 1 68 LYS HA 5.070 . 5.070 3.269 2.642 3.667 . 0 0 "[ . 1 . 2]" 1
1249 1 46 ALA HA 1 68 LYS HB2 5.740 . 5.740 4.459 2.703 5.480 . 0 0 "[ . 1 . 2]" 1
1250 1 46 ALA HA 1 68 LYS HB3 5.740 . 5.740 4.756 4.305 5.476 . 0 0 "[ . 1 . 2]" 1
1251 1 46 ALA HA 1 68 LYS QD 4.920 . 4.920 3.267 1.850 4.779 . 0 0 "[ . 1 . 2]" 1
1252 1 46 ALA HA 1 68 LYS QG 5.020 . 5.020 2.662 1.799 4.876 . 0 0 "[ . 1 . 2]" 1
1253 1 46 ALA MB 1 47 ASP H 4.040 . 4.040 2.870 2.709 3.101 . 0 0 "[ . 1 . 2]" 1
1254 1 46 ALA MB 1 47 ASP HA 5.920 . 5.920 4.391 4.297 4.583 . 0 0 "[ . 1 . 2]" 1
1255 1 46 ALA MB 1 48 VAL H 4.530 . 4.530 3.120 2.768 3.454 . 0 0 "[ . 1 . 2]" 1
1256 1 46 ALA MB 1 49 VAL HA 6.260 . 6.260 4.356 4.021 4.582 . 0 0 "[ . 1 . 2]" 1
1257 1 46 ALA MB 1 49 VAL MG2 4.600 . 4.600 3.457 3.115 3.768 . 0 0 "[ . 1 . 2]" 1
1258 1 46 ALA MB 1 66 ILE HA 5.190 . 5.190 3.345 3.163 3.660 . 0 0 "[ . 1 . 2]" 1
1259 1 46 ALA MB 1 66 ILE HB 3.970 . 3.970 2.006 1.932 2.308 . 0 0 "[ . 1 . 2]" 1
1260 1 46 ALA MB 1 66 ILE MD 3.890 . 3.890 2.705 2.294 3.066 . 0 0 "[ . 1 . 2]" 1
1261 1 46 ALA MB 1 67 TYR H 4.760 . 4.760 2.574 2.389 2.825 . 0 0 "[ . 1 . 2]" 1
1262 1 46 ALA MB 1 67 TYR HA 6.830 . 6.830 4.157 3.981 4.449 . 0 0 "[ . 1 . 2]" 1
1263 1 46 ALA MB 1 68 LYS HA 5.390 . 5.390 4.156 3.716 4.518 . 0 0 "[ . 1 . 2]" 1
1264 1 46 ALA MB 1 68 LYS QE 6.830 . 6.830 5.301 3.638 6.227 . 0 0 "[ . 1 . 2]" 1
1265 1 47 ASP H 1 47 ASP HB3 4.240 . 4.240 3.634 3.604 3.671 . 0 0 "[ . 1 . 2]" 1
1266 1 47 ASP H 1 48 VAL H 3.490 . 3.490 2.368 2.184 2.608 . 0 0 "[ . 1 . 2]" 1
1267 1 47 ASP H 1 48 VAL HB 6.170 . 6.170 4.868 4.427 5.263 . 0 0 "[ . 1 . 2]" 1
1268 1 47 ASP H 1 48 VAL MG2 6.050 . 6.050 4.439 4.181 4.736 . 0 0 "[ . 1 . 2]" 1
1269 1 47 ASP H 1 66 ILE HB 6.830 . 6.830 5.334 4.990 5.623 . 0 0 "[ . 1 . 2]" 1
1270 1 47 ASP H 1 67 TYR O 1.900 . 2.000 2.056 2.018 2.113 0.113 13 0 "[ . 1 . 2]" 1
1271 1 47 ASP H 1 68 LYS H 6.830 . 6.830 4.501 4.308 4.722 . 0 0 "[ . 1 . 2]" 1
1272 1 47 ASP H 1 68 LYS HA 3.950 . 3.950 2.254 1.976 2.655 . 0 0 "[ . 1 . 2]" 1
1273 1 47 ASP H 1 68 LYS HB2 6.650 . 6.650 4.754 3.666 5.408 . 0 0 "[ . 1 . 2]" 1
1274 1 47 ASP H 1 68 LYS QB 5.740 . 5.740 4.142 3.562 4.640 . 0 0 "[ . 1 . 2]" 1
1275 1 47 ASP H 1 68 LYS HB3 6.650 . 6.650 4.684 4.131 5.487 . 0 0 "[ . 1 . 2]" 1
1276 1 47 ASP H 1 68 LYS QD 5.300 . 5.300 4.129 1.994 5.453 0.153 18 0 "[ . 1 . 2]" 1
1277 1 47 ASP H 1 68 LYS QG 5.810 . 5.810 3.306 2.471 4.899 . 0 0 "[ . 1 . 2]" 1
1278 1 47 ASP H 1 69 LYS H 5.200 . 5.200 3.775 3.295 4.178 . 0 0 "[ . 1 . 2]" 1
1279 1 47 ASP HB2 1 48 VAL H 5.080 . 5.080 2.768 2.499 3.044 . 0 0 "[ . 1 . 2]" 1
1280 1 47 ASP HB2 1 48 VAL HB 6.720 . 6.720 4.265 4.050 4.663 . 0 0 "[ . 1 . 2]" 1
1281 1 47 ASP HB2 1 48 VAL MG2 4.650 . 4.650 3.007 2.718 3.342 . 0 0 "[ . 1 . 2]" 1
1282 1 47 ASP HB2 1 68 LYS HA 4.960 . 4.960 2.687 2.224 3.107 . 0 0 "[ . 1 . 2]" 1
1283 1 47 ASP HB2 1 69 LYS H 5.160 . 5.160 2.592 2.176 3.124 . 0 0 "[ . 1 . 2]" 1
1284 1 47 ASP HB2 1 69 LYS HB2 6.080 . 6.080 3.035 2.445 3.432 . 0 0 "[ . 1 . 2]" 1
1285 1 47 ASP HB2 1 69 LYS HB3 6.550 . 6.550 4.204 3.316 4.680 . 0 0 "[ . 1 . 2]" 1
1286 1 47 ASP HB3 1 48 VAL H 4.320 . 4.320 3.717 3.465 3.962 . 0 0 "[ . 1 . 2]" 1
1287 1 47 ASP HB3 1 48 VAL HB 6.550 . 6.550 5.054 4.537 5.344 . 0 0 "[ . 1 . 2]" 1
1288 1 47 ASP HB3 1 48 VAL MG2 4.800 . 4.800 3.033 2.686 3.433 . 0 0 "[ . 1 . 2]" 1
1289 1 47 ASP HB3 1 68 LYS HA 4.620 . 4.620 4.320 3.923 4.665 0.045 10 0 "[ . 1 . 2]" 1
1290 1 47 ASP HB3 1 69 LYS H 4.580 . 4.580 3.720 3.270 4.260 . 0 0 "[ . 1 . 2]" 1
1291 1 47 ASP HB3 1 69 LYS HB2 5.990 . 5.990 3.185 2.646 3.707 . 0 0 "[ . 1 . 2]" 1
1292 1 47 ASP HB3 1 69 LYS HB3 6.690 . 6.690 4.324 3.586 4.828 . 0 0 "[ . 1 . 2]" 1
1293 1 47 ASP N 1 67 TYR O 2.850 2.700 3.000 2.814 2.728 2.886 . 0 0 "[ . 1 . 2]" 1
1294 1 47 ASP OD2 1 69 LYS H 1.900 . 2.000 2.729 2.022 3.588 1.588 6 10 "[* **.+** 1* * .* - 2]" 1
1295 1 47 ASP OD2 1 69 LYS N 2.850 2.700 3.000 3.655 2.921 4.545 1.545 6 10 "[* **.+** 1* * .* - 2]" 1
1296 1 48 VAL H 1 48 VAL HB 4.200 . 4.200 2.718 2.561 2.827 . 0 0 "[ . 1 . 2]" 1
1297 1 48 VAL H 1 48 VAL MG2 4.580 . 4.580 2.945 2.715 3.185 . 0 0 "[ . 1 . 2]" 1
1298 1 48 VAL H 1 49 VAL MG2 5.950 . 5.950 4.540 4.327 4.760 . 0 0 "[ . 1 . 2]" 1
1299 1 48 VAL H 1 66 ILE HA 6.390 . 6.390 4.876 4.701 5.162 . 0 0 "[ . 1 . 2]" 1
1300 1 48 VAL H 1 66 ILE HB 5.580 . 5.580 5.190 4.883 5.573 . 0 0 "[ . 1 . 2]" 1
1301 1 48 VAL H 1 67 TYR H 4.820 . 4.820 3.177 2.981 3.439 . 0 0 "[ . 1 . 2]" 1
1302 1 48 VAL H 1 67 TYR HB2 5.440 . 5.440 3.561 3.123 3.871 . 0 0 "[ . 1 . 2]" 1
1303 1 48 VAL H 1 67 TYR HB3 6.670 . 6.670 4.436 4.229 4.693 . 0 0 "[ . 1 . 2]" 1
1304 1 48 VAL H 1 67 TYR O 1.900 . 2.000 2.055 2.024 2.101 0.101 17 0 "[ . 1 . 2]" 1
1305 1 48 VAL H 1 68 LYS HA 5.110 . 5.110 3.738 3.466 4.052 . 0 0 "[ . 1 . 2]" 1
1306 1 48 VAL H 1 69 LYS H 5.950 . 5.950 4.934 4.526 5.252 . 0 0 "[ . 1 . 2]" 1
1307 1 48 VAL HA 1 49 VAL H 3.340 . 3.340 2.137 2.091 2.231 . 0 0 "[ . 1 . 2]" 1
1308 1 48 VAL HA 1 49 VAL HB 5.500 . 5.500 4.773 4.557 5.035 . 0 0 "[ . 1 . 2]" 1
1309 1 48 VAL HB 1 49 VAL H 5.440 . 5.440 4.101 3.939 4.276 . 0 0 "[ . 1 . 2]" 1
1310 1 48 VAL HB 1 50 VAL MG2 6.220 . 6.220 3.468 2.999 3.914 . 0 0 "[ . 1 . 2]" 1
1311 1 48 VAL HB 1 67 TYR H 5.390 . 5.390 3.793 3.439 4.288 . 0 0 "[ . 1 . 2]" 1
1312 1 48 VAL HB 1 67 TYR HB2 4.350 . 4.350 2.412 1.854 2.990 . 0 0 "[ . 1 . 2]" 1
1313 1 48 VAL HB 1 67 TYR HB3 5.400 . 5.400 3.611 3.246 4.331 . 0 0 "[ . 1 . 2]" 1
1314 1 48 VAL HB 1 67 TYR QD 6.410 . 6.410 4.158 3.121 4.924 . 0 0 "[ . 1 . 2]" 1
1315 1 48 VAL MG1 1 49 VAL H 3.930 . 3.930 2.498 2.298 2.698 . 0 0 "[ . 1 . 2]" 1
1316 1 48 VAL MG1 1 50 VAL H 5.970 . 5.970 3.594 3.277 4.065 . 0 0 "[ . 1 . 2]" 1
1317 1 48 VAL MG1 1 50 VAL HA 5.640 . 5.640 3.416 3.123 3.726 . 0 0 "[ . 1 . 2]" 1
1318 1 48 VAL MG1 1 50 VAL MG2 3.780 . 3.780 2.020 1.822 2.315 . 0 0 "[ . 1 . 2]" 1
1319 1 48 VAL MG1 1 51 LEU H 6.830 . 6.830 5.057 4.626 5.481 . 0 0 "[ . 1 . 2]" 1
1320 1 48 VAL MG1 1 67 TYR HB2 5.170 . 5.170 3.419 2.838 4.147 . 0 0 "[ . 1 . 2]" 1
1321 1 48 VAL MG1 1 67 TYR HB3 6.440 . 6.440 4.643 4.082 5.474 . 0 0 "[ . 1 . 2]" 1
1322 1 48 VAL MG1 1 67 TYR QD 5.590 . 5.590 3.843 2.391 4.721 . 0 0 "[ . 1 . 2]" 1
1323 1 48 VAL MG2 1 49 VAL H 4.770 . 4.770 3.886 3.639 4.039 . 0 0 "[ . 1 . 2]" 1
1324 1 48 VAL MG2 1 67 TYR HB2 5.780 . 5.780 3.925 3.424 4.504 . 0 0 "[ . 1 . 2]" 1
1325 1 48 VAL MG2 1 67 TYR HB3 6.830 . 6.830 4.495 4.003 4.966 . 0 0 "[ . 1 . 2]" 1
1326 1 48 VAL MG2 1 69 LYS HB2 6.250 . 6.250 4.072 3.580 4.531 . 0 0 "[ . 1 . 2]" 1
1327 1 48 VAL N 1 67 TYR O 2.850 2.700 3.000 3.032 2.973 3.083 0.083 17 0 "[ . 1 . 2]" 1
1328 1 48 VAL O 1 67 TYR H 1.900 . 2.000 2.028 1.989 2.060 0.060 11 0 "[ . 1 . 2]" 1
1329 1 48 VAL O 1 67 TYR N 2.850 2.700 3.000 2.968 2.828 3.038 0.038 14 0 "[ . 1 . 2]" 1
1330 1 49 VAL H 1 49 VAL HB 3.900 . 3.900 2.751 2.629 2.971 . 0 0 "[ . 1 . 2]" 1
1331 1 49 VAL H 1 49 VAL MG1 4.690 . 4.690 3.902 3.843 3.948 . 0 0 "[ . 1 . 2]" 1
1332 1 49 VAL H 1 49 VAL MG2 4.560 . 4.560 2.367 2.199 2.542 . 0 0 "[ . 1 . 2]" 1
1333 1 49 VAL H 1 50 VAL MG2 6.490 . 6.490 4.108 3.906 4.408 . 0 0 "[ . 1 . 2]" 1
1334 1 49 VAL HA 1 50 VAL H 3.510 . 3.510 2.198 2.175 2.262 . 0 0 "[ . 1 . 2]" 1
1335 1 49 VAL HA 1 64 ALA MB 5.320 . 5.320 3.623 3.262 3.899 . 0 0 "[ . 1 . 2]" 1
1336 1 49 VAL HA 1 65 ASP H 6.440 . 6.440 5.159 4.793 5.539 . 0 0 "[ . 1 . 2]" 1
1337 1 49 VAL HA 1 66 ILE HA 4.330 . 4.330 2.729 2.515 2.922 . 0 0 "[ . 1 . 2]" 1
1338 1 49 VAL HA 1 66 ILE HB 6.480 . 6.480 4.476 3.936 4.879 . 0 0 "[ . 1 . 2]" 1
1339 1 49 VAL HA 1 66 ILE MG 4.380 . 4.380 2.809 2.365 3.384 . 0 0 "[ . 1 . 2]" 1
1340 1 49 VAL HA 1 67 TYR H 5.310 . 5.310 3.851 3.546 4.039 . 0 0 "[ . 1 . 2]" 1
1341 1 49 VAL HB 1 50 VAL H 5.690 . 5.690 4.220 3.955 4.357 . 0 0 "[ . 1 . 2]" 1
1342 1 49 VAL HB 1 64 ALA MB 6.830 . 6.830 4.005 3.430 4.231 . 0 0 "[ . 1 . 2]" 1
1343 1 49 VAL MG1 1 50 VAL H 4.370 . 4.370 3.091 2.725 3.277 . 0 0 "[ . 1 . 2]" 1
1344 1 49 VAL MG1 1 51 LEU HA 5.640 . 5.640 4.287 3.894 4.838 . 0 0 "[ . 1 . 2]" 1
1345 1 49 VAL MG1 1 64 ALA HA 6.160 . 6.160 4.168 3.800 4.296 . 0 0 "[ . 1 . 2]" 1
1346 1 49 VAL MG1 1 64 ALA MB 3.500 . 3.500 1.915 1.735 2.022 . 0 0 "[ . 1 . 2]" 1
1347 1 49 VAL MG1 1 65 ASP H 5.860 . 5.860 4.524 4.028 4.883 . 0 0 "[ . 1 . 2]" 1
1348 1 49 VAL MG1 1 66 ILE HA 5.240 . 5.240 3.923 3.041 4.301 . 0 0 "[ . 1 . 2]" 1
1349 1 49 VAL MG1 1 66 ILE HB 5.210 . 5.210 4.818 4.319 5.215 0.005 20 0 "[ . 1 . 2]" 1
1350 1 49 VAL MG1 1 67 TYR H 6.180 . 6.180 5.325 4.592 5.580 . 0 0 "[ . 1 . 2]" 1
1351 1 49 VAL MG2 1 50 VAL H 4.970 . 4.970 4.401 4.351 4.471 . 0 0 "[ . 1 . 2]" 1
1352 1 49 VAL MG2 1 66 ILE HA 5.380 . 5.380 4.122 3.721 4.418 . 0 0 "[ . 1 . 2]" 1
1353 1 49 VAL MG2 1 66 ILE HB 5.520 . 5.520 4.397 3.951 4.802 . 0 0 "[ . 1 . 2]" 1
1354 1 49 VAL MG2 1 67 TYR H 5.800 . 5.800 4.687 4.249 5.018 . 0 0 "[ . 1 . 2]" 1
1355 1 50 VAL H 1 50 VAL HB 4.290 . 4.290 2.558 2.465 2.655 . 0 0 "[ . 1 . 2]" 1
1356 1 50 VAL H 1 50 VAL MG1 4.680 . 4.680 3.854 3.819 3.909 . 0 0 "[ . 1 . 2]" 1
1357 1 50 VAL H 1 50 VAL MG2 4.430 . 4.430 2.451 2.300 2.784 . 0 0 "[ . 1 . 2]" 1
1358 1 50 VAL H 1 64 ALA MB 4.570 . 4.570 3.012 2.558 3.292 . 0 0 "[ . 1 . 2]" 1
1359 1 50 VAL H 1 65 ASP H 4.830 . 4.830 3.405 3.028 3.793 . 0 0 "[ . 1 . 2]" 1
1360 1 50 VAL H 1 65 ASP HB2 6.430 . 6.430 4.057 3.581 4.647 . 0 0 "[ . 1 . 2]" 1
1361 1 50 VAL H 1 65 ASP O 1.900 . 2.000 2.002 1.951 2.064 0.064 7 0 "[ . 1 . 2]" 1
1362 1 50 VAL H 1 66 ILE HA 5.420 . 5.420 3.382 3.083 3.880 . 0 0 "[ . 1 . 2]" 1
1363 1 50 VAL H 1 66 ILE MG 5.620 . 5.620 3.962 3.578 4.635 . 0 0 "[ . 1 . 2]" 1
1364 1 50 VAL HA 1 51 LEU H 3.390 . 3.390 2.169 2.102 2.216 . 0 0 "[ . 1 . 2]" 1
1365 1 50 VAL HA 1 51 LEU HB2 5.830 . 5.830 4.633 4.535 4.777 . 0 0 "[ . 1 . 2]" 1
1366 1 50 VAL HA 1 51 LEU HB3 6.700 . 6.700 5.764 5.669 5.825 . 0 0 "[ . 1 . 2]" 1
1367 1 50 VAL HA 1 51 LEU MD1 5.760 . 5.760 5.447 5.115 5.718 . 0 0 "[ . 1 . 2]" 1
1368 1 50 VAL HA 1 51 LEU HG 5.290 . 5.290 4.203 3.842 4.513 . 0 0 "[ . 1 . 2]" 1
1369 1 50 VAL HA 1 64 ALA MB 5.720 . 5.720 4.284 3.752 4.863 . 0 0 "[ . 1 . 2]" 1
1370 1 50 VAL HA 1 65 ASP H 6.830 . 6.830 4.860 4.612 5.026 . 0 0 "[ . 1 . 2]" 1
1371 1 50 VAL HB 1 51 LEU H 5.030 . 5.030 4.430 4.305 4.512 . 0 0 "[ . 1 . 2]" 1
1372 1 50 VAL HB 1 52 THR MG 5.990 . 5.990 4.069 2.946 5.725 . 0 0 "[ . 1 . 2]" 1
1373 1 50 VAL HB 1 65 ASP H 5.240 . 5.240 2.939 2.590 3.562 . 0 0 "[ . 1 . 2]" 1
1374 1 50 VAL HB 1 65 ASP HB2 5.080 . 5.080 2.433 1.997 2.992 . 0 0 "[ . 1 . 2]" 1
1375 1 50 VAL HB 1 65 ASP HB3 5.430 . 5.430 3.876 2.248 4.742 . 0 0 "[ . 1 . 2]" 1
1376 1 50 VAL HB 1 67 TYR QD 5.820 . 5.820 3.440 3.121 3.620 . 0 0 "[ . 1 . 2]" 1
1377 1 50 VAL MG1 1 51 LEU H 4.200 . 4.200 3.275 2.958 3.478 . 0 0 "[ . 1 . 2]" 1
1378 1 50 VAL MG1 1 52 THR H 6.830 . 6.830 3.918 3.066 4.731 . 0 0 "[ . 1 . 2]" 1
1379 1 50 VAL MG1 1 52 THR HA 5.700 . 5.700 3.897 3.331 4.486 . 0 0 "[ . 1 . 2]" 1
1380 1 50 VAL MG1 1 65 ASP H 5.490 . 5.490 3.774 3.627 4.077 . 0 0 "[ . 1 . 2]" 1
1381 1 50 VAL MG1 1 65 ASP HB2 6.350 . 6.350 3.424 3.191 4.170 . 0 0 "[ . 1 . 2]" 1
1382 1 50 VAL MG2 1 51 LEU H 5.090 . 5.090 4.240 4.042 4.315 . 0 0 "[ . 1 . 2]" 1
1383 1 50 VAL MG2 1 65 ASP HB2 5.880 . 5.880 3.624 3.084 4.194 . 0 0 "[ . 1 . 2]" 1
1384 1 50 VAL MG2 1 65 ASP HB3 6.770 . 6.770 4.422 3.039 5.526 . 0 0 "[ . 1 . 2]" 1
1385 1 50 VAL MG2 1 67 TYR QD 5.130 . 5.130 2.306 2.168 2.432 . 0 0 "[ . 1 . 2]" 1
1386 1 50 VAL N 1 65 ASP O 2.850 2.700 3.000 2.919 2.850 2.958 . 0 0 "[ . 1 . 2]" 1
1387 1 50 VAL O 1 65 ASP H 1.900 . 2.000 2.081 2.017 2.135 0.135 13 0 "[ . 1 . 2]" 1
1388 1 50 VAL O 1 65 ASP N 2.850 2.700 3.000 2.935 2.836 3.007 0.007 4 0 "[ . 1 . 2]" 1
1389 1 51 LEU H 1 51 LEU HB2 3.960 . 3.960 2.551 2.495 2.647 . 0 0 "[ . 1 . 2]" 1
1390 1 51 LEU H 1 51 LEU MD1 4.650 . 4.650 3.812 3.620 3.979 . 0 0 "[ . 1 . 2]" 1
1391 1 51 LEU H 1 51 LEU MD2 5.080 . 5.080 3.185 3.006 3.414 . 0 0 "[ . 1 . 2]" 1
1392 1 51 LEU H 1 51 LEU HG 4.060 . 4.060 2.392 2.123 2.593 . 0 0 "[ . 1 . 2]" 1
1393 1 51 LEU HA 1 51 LEU MD2 3.770 . 3.770 2.099 2.018 2.187 . 0 0 "[ . 1 . 2]" 1
1394 1 51 LEU HA 1 52 THR H 3.490 . 3.490 2.202 2.080 2.355 . 0 0 "[ . 1 . 2]" 1
1395 1 51 LEU HA 1 52 THR MG 5.190 . 5.190 4.209 3.659 5.476 0.286 15 0 "[ . 1 . 2]" 1
1396 1 51 LEU HA 1 53 SER H 5.870 . 5.870 3.374 2.918 4.508 . 0 0 "[ . 1 . 2]" 1
1397 1 51 LEU HA 1 64 ALA HA 4.160 . 4.160 2.891 2.528 3.243 . 0 0 "[ . 1 . 2]" 1
1398 1 51 LEU HA 1 64 ALA MB 4.070 . 4.070 2.627 2.243 3.677 . 0 0 "[ . 1 . 2]" 1
1399 1 51 LEU HA 1 65 ASP H 5.410 . 5.410 4.316 4.115 4.516 . 0 0 "[ . 1 . 2]" 1
1400 1 51 LEU HB2 1 52 THR H 5.470 . 5.470 4.453 4.134 4.521 . 0 0 "[ . 1 . 2]" 1
1401 1 51 LEU HB2 1 52 THR HA 6.020 . 6.020 5.098 4.864 5.287 . 0 0 "[ . 1 . 2]" 1
1402 1 51 LEU HB3 1 52 THR H 4.760 . 4.760 3.909 3.124 4.198 . 0 0 "[ . 1 . 2]" 1
1403 1 51 LEU HB3 1 52 THR HA 5.780 . 5.780 4.969 4.474 5.264 . 0 0 "[ . 1 . 2]" 1
1404 1 51 LEU HB3 1 53 SER H 5.110 . 5.110 3.844 3.101 4.866 . 0 0 "[ . 1 . 2]" 1
1405 1 51 LEU HB3 1 53 SER HA 6.830 . 6.830 5.684 4.829 6.432 . 0 0 "[ . 1 . 2]" 1
1406 1 51 LEU MD1 1 52 THR H 5.840 . 5.840 5.479 4.794 5.699 . 0 0 "[ . 1 . 2]" 1
1407 1 51 LEU MD1 1 53 SER H 6.120 . 6.120 5.479 4.849 6.207 0.087 11 0 "[ . 1 . 2]" 1
1408 1 51 LEU MD1 1 55 GLN HB2 6.290 . 6.290 3.218 2.401 4.412 . 0 0 "[ . 1 . 2]" 1
1409 1 51 LEU MD1 1 55 GLN QB 5.400 . 5.400 2.783 1.871 4.129 . 0 0 "[ . 1 . 2]" 1
1410 1 51 LEU MD1 1 55 GLN HB3 6.290 . 6.290 3.501 1.889 5.196 . 0 0 "[ . 1 . 2]" 1
1411 1 51 LEU MD1 1 55 GLN QG 5.670 . 5.670 3.608 2.133 4.635 . 0 0 "[ . 1 . 2]" 1
1412 1 51 LEU MD2 1 52 THR H 5.070 . 5.070 3.901 3.533 4.111 . 0 0 "[ . 1 . 2]" 1
1413 1 51 LEU MD2 1 53 SER H 6.130 . 6.130 4.332 3.764 5.484 . 0 0 "[ . 1 . 2]" 1
1414 1 51 LEU MD2 1 55 GLN HA 6.110 . 6.110 5.349 3.474 6.169 0.059 14 0 "[ . 1 . 2]" 1
1415 1 51 LEU MD2 1 55 GLN HB2 6.830 . 6.830 4.803 3.210 6.250 . 0 0 "[ . 1 . 2]" 1
1416 1 51 LEU MD2 1 55 GLN HB3 6.830 . 6.830 5.308 3.768 6.726 . 0 0 "[ . 1 . 2]" 1
1417 1 51 LEU MD2 1 55 GLN HE21 6.600 . 6.600 4.745 2.883 6.676 0.076 18 0 "[ . 1 . 2]" 1
1418 1 51 LEU MD2 1 55 GLN HE22 6.210 . 6.210 5.245 2.480 6.302 0.092 11 0 "[ . 1 . 2]" 1
1419 1 51 LEU MD2 1 55 GLN QG 6.830 . 6.830 4.998 4.018 5.844 . 0 0 "[ . 1 . 2]" 1
1420 1 51 LEU MD2 1 62 GLY HA2 6.150 . 6.150 4.618 3.825 5.862 . 0 0 "[ . 1 . 2]" 1
1421 1 51 LEU MD2 1 62 GLY HA3 6.470 . 6.470 5.574 4.922 6.494 0.024 4 0 "[ . 1 . 2]" 1
1422 1 51 LEU MD2 1 63 THR H 6.060 . 6.060 4.789 3.560 5.787 . 0 0 "[ . 1 . 2]" 1
1423 1 51 LEU MD2 1 64 ALA HA 5.730 . 5.730 3.752 3.227 4.208 . 0 0 "[ . 1 . 2]" 1
1424 1 51 LEU HG 1 64 ALA MB 5.910 . 5.910 4.082 3.678 5.256 . 0 0 "[ . 1 . 2]" 1
1425 1 52 THR H 1 52 THR MG 4.340 . 4.340 2.617 1.939 3.763 . 0 0 "[ . 1 . 2]" 1
1426 1 52 THR H 1 53 SER H 3.950 . 3.950 2.405 2.142 3.753 . 0 0 "[ . 1 . 2]" 1
1427 1 52 THR H 1 64 ALA HA 4.030 . 4.030 2.346 1.894 3.305 . 0 0 "[ . 1 . 2]" 1
1428 1 52 THR H 1 64 ALA MB 4.940 . 4.940 3.476 3.073 4.185 . 0 0 "[ . 1 . 2]" 1
1429 1 52 THR HA 1 52 THR MG 3.740 . 3.740 2.616 2.280 3.275 . 0 0 "[ . 1 . 2]" 1
1430 1 52 THR HB 1 53 SER H 4.770 . 4.770 3.894 2.373 4.413 . 0 0 "[ . 1 . 2]" 1
1431 1 52 THR MG 1 53 SER H 5.420 . 5.420 3.656 2.191 4.369 . 0 0 "[ . 1 . 2]" 1
1432 1 52 THR MG 1 53 SER QB 6.440 . 6.440 4.910 3.189 5.994 . 0 0 "[ . 1 . 2]" 1
1433 1 52 THR MG 1 64 ALA HA 4.430 . 4.430 3.346 2.166 4.354 . 0 0 "[ . 1 . 2]" 1
1434 1 52 THR MG 1 65 ASP H 4.490 . 4.490 3.151 2.178 4.450 . 0 0 "[ . 1 . 2]" 1
1435 1 52 THR MG 1 65 ASP HB2 5.630 . 5.630 3.678 2.316 5.080 . 0 0 "[ . 1 . 2]" 1
1436 1 52 THR MG 1 65 ASP HB3 6.830 . 6.830 4.660 3.671 5.832 . 0 0 "[ . 1 . 2]" 1
1437 1 53 SER H 1 54 GLY H 4.700 . 4.700 3.603 1.865 4.641 . 0 0 "[ . 1 . 2]" 1
1438 1 53 SER H 1 54 GLY QA 6.420 . 6.420 4.711 3.468 5.443 . 0 0 "[ . 1 . 2]" 1
1439 1 53 SER H 1 64 ALA HA 5.970 . 5.970 3.978 3.551 5.642 . 0 0 "[ . 1 . 2]" 1
1440 1 53 SER HA 1 54 GLY H 3.640 . 3.640 2.735 2.186 3.538 . 0 0 "[ . 1 . 2]" 1
1441 1 53 SER HA 1 54 GLY QA 6.090 . 6.090 4.126 3.911 4.453 . 0 0 "[ . 1 . 2]" 1
1442 1 53 SER QB 1 54 GLY H 4.510 . 4.510 3.430 2.556 4.030 . 0 0 "[ . 1 . 2]" 1
1443 1 53 SER QB 1 60 ILE MD 5.240 . 5.240 4.454 2.414 5.290 0.050 6 0 "[ . 1 . 2]" 1
1444 1 53 SER QB 1 63 THR H 4.600 . 4.600 2.390 1.580 3.826 . 0 0 "[ . 1 . 2]" 1
1445 1 53 SER QB 1 63 THR MG 5.530 . 5.530 4.263 3.271 5.700 0.170 13 0 "[ . 1 . 2]" 1
1446 1 54 GLY QA 1 55 GLN HA 6.570 . 6.570 4.189 4.011 4.626 . 0 0 "[ . 1 . 2]" 1
1447 1 54 GLY QA 1 55 GLN QG 6.100 . 6.100 4.913 3.335 5.638 . 0 0 "[ . 1 . 2]" 1
1448 1 54 GLY QA 1 56 THR H 6.830 . 6.830 4.202 3.054 5.890 . 0 0 "[ . 1 . 2]" 1
1449 1 55 GLN H 1 55 GLN QB 3.820 . 3.820 2.640 2.245 3.305 . 0 0 "[ . 1 . 2]" 1
1450 1 55 GLN H 1 55 GLN QG 4.460 . 4.460 3.475 2.021 4.202 . 0 0 "[ . 1 . 2]" 1
1451 1 55 GLN H 1 56 THR MG 6.130 . 6.130 4.863 3.824 6.099 . 0 0 "[ . 1 . 2]" 1
1452 1 55 GLN HA 1 56 THR H 3.520 . 3.520 2.697 2.143 3.552 0.032 11 0 "[ . 1 . 2]" 1
1453 1 55 GLN HA 1 60 ILE MD 6.020 . 6.020 3.945 1.933 6.009 . 0 0 "[ . 1 . 2]" 1
1454 1 55 GLN HA 1 60 ILE MG 6.310 . 6.310 3.100 1.663 5.295 . 0 0 "[ . 1 . 2]" 1
1455 1 55 GLN QB 1 56 THR H 4.490 . 4.490 3.653 2.027 4.055 . 0 0 "[ . 1 . 2]" 1
1456 1 55 GLN QB 1 56 THR HB 6.250 . 6.250 5.547 4.343 6.178 . 0 0 "[ . 1 . 2]" 1
1457 1 55 GLN QB 1 56 THR MG 5.790 . 5.790 5.117 3.678 5.724 . 0 0 "[ . 1 . 2]" 1
1458 1 55 GLN HB2 1 56 THR H 5.340 . 5.340 4.152 2.040 4.644 . 0 0 "[ . 1 . 2]" 1
1459 1 55 GLN HB2 1 56 THR MG 6.580 . 6.580 5.784 3.884 6.941 0.361 12 0 "[ . 1 . 2]" 1
1460 1 55 GLN HB2 1 60 ILE MG 6.830 . 6.830 4.768 3.451 5.930 . 0 0 "[ . 1 . 2]" 1
1461 1 55 GLN HB3 1 56 THR H 5.340 . 5.340 4.184 3.365 4.498 . 0 0 "[ . 1 . 2]" 1
1462 1 55 GLN HB3 1 56 THR MG 6.580 . 6.580 5.814 4.549 6.647 0.067 4 0 "[ . 1 . 2]" 1
1463 1 55 GLN HB3 1 60 ILE MG 6.830 . 6.830 5.120 4.272 6.244 . 0 0 "[ . 1 . 2]" 1
1464 1 55 GLN QG 1 56 THR H 5.470 . 5.470 3.591 2.360 4.533 . 0 0 "[ . 1 . 2]" 1
1465 1 55 GLN QG 1 56 THR HB 6.210 . 6.210 5.363 3.320 6.335 0.125 19 0 "[ . 1 . 2]" 1
1466 1 55 GLN QG 1 56 THR MG 6.030 . 6.030 4.771 1.869 6.130 0.100 19 0 "[ . 1 . 2]" 1
1467 1 55 GLN QG 1 60 ILE QG 6.160 . 6.160 4.989 3.449 6.217 0.057 1 0 "[ . 1 . 2]" 1
1468 1 55 GLN QG 1 60 ILE MG 6.830 . 6.830 4.212 2.914 6.202 . 0 0 "[ . 1 . 2]" 1
1469 1 56 THR H 1 56 THR MG 4.350 . 4.350 2.751 1.915 4.083 . 0 0 "[ . 1 . 2]" 1
1470 1 56 THR H 1 57 GLU H 4.230 . 4.230 2.576 1.716 4.264 0.034 16 0 "[ . 1 . 2]" 1
1471 1 56 THR H 1 60 ILE MD 6.720 . 6.720 4.498 2.971 5.727 . 0 0 "[ . 1 . 2]" 1
1472 1 56 THR HA 1 57 GLU QB 5.550 . 5.550 4.185 3.849 4.582 . 0 0 "[ . 1 . 2]" 1
1473 1 56 THR HA 1 58 ASN H 5.830 . 5.830 4.611 3.621 5.865 0.035 6 0 "[ . 1 . 2]" 1
1474 1 56 THR HB 1 57 GLU H 4.290 . 4.290 4.001 2.233 4.465 0.175 3 0 "[ . 1 . 2]" 1
1475 1 56 THR HB 1 58 ASN H 5.500 . 5.500 4.608 2.971 5.556 0.056 14 0 "[ . 1 . 2]" 1
1476 1 56 THR MG 1 57 GLU H 5.160 . 5.160 3.209 2.400 4.349 . 0 0 "[ . 1 . 2]" 1
1477 1 56 THR MG 1 58 ASN H 5.450 . 5.450 3.185 1.626 5.491 0.041 6 0 "[ . 1 . 2]" 1
1478 1 56 THR MG 1 58 ASN QB 6.240 . 6.240 3.156 2.125 4.878 . 0 0 "[ . 1 . 2]" 1
1479 1 57 GLU H 1 57 GLU QB 3.840 . 3.840 3.050 2.469 3.445 . 0 0 "[ . 1 . 2]" 1
1480 1 57 GLU H 1 57 GLU QG 4.490 . 4.490 3.821 2.114 4.393 . 0 0 "[ . 1 . 2]" 1
1481 1 57 GLU H 1 60 ILE MD 6.650 . 6.650 3.704 1.955 5.117 . 0 0 "[ . 1 . 2]" 1
1482 1 57 GLU H 1 60 ILE HG12 6.300 . 6.300 3.551 2.221 5.341 . 0 0 "[ . 1 . 2]" 1
1483 1 57 GLU H 1 60 ILE QG 5.490 . 5.490 3.353 2.184 4.633 . 0 0 "[ . 1 . 2]" 1
1484 1 57 GLU H 1 60 ILE HG13 6.300 . 6.300 4.358 2.661 6.068 . 0 0 "[ . 1 . 2]" 1
1485 1 57 GLU H 1 60 ILE MG 6.480 . 6.480 3.010 2.207 5.144 . 0 0 "[ . 1 . 2]" 1
1486 1 57 GLU HA 1 59 LYS H 6.240 . 6.240 4.595 3.322 5.678 . 0 0 "[ . 1 . 2]" 1
1487 1 57 GLU HA 1 60 ILE MD 5.410 . 5.410 3.141 2.138 4.122 . 0 0 "[ . 1 . 2]" 1
1488 1 57 GLU HA 1 60 ILE HG12 6.200 . 6.200 3.164 2.164 4.995 . 0 0 "[ . 1 . 2]" 1
1489 1 57 GLU HA 1 60 ILE HG13 6.200 . 6.200 3.699 2.061 5.844 . 0 0 "[ . 1 . 2]" 1
1490 1 57 GLU HA 1 60 ILE MG 6.830 . 6.830 3.650 2.030 4.556 . 0 0 "[ . 1 . 2]" 1
1491 1 57 GLU QB 1 58 ASN H 4.290 . 4.290 3.085 2.202 4.054 . 0 0 "[ . 1 . 2]" 1
1492 1 57 GLU QB 1 59 LYS H 5.620 . 5.620 5.042 3.881 5.747 0.127 14 0 "[ . 1 . 2]" 1
1493 1 57 GLU QB 1 60 ILE MD 5.890 . 5.890 4.524 3.716 5.674 . 0 0 "[ . 1 . 2]" 1
1494 1 57 GLU QB 1 60 ILE MG 5.330 . 5.330 4.797 3.642 5.432 0.102 15 0 "[ . 1 . 2]" 1
1495 1 57 GLU HB2 1 58 ASN H 5.010 . 5.010 4.025 3.476 4.631 . 0 0 "[ . 1 . 2]" 1
1496 1 57 GLU HB3 1 58 ASN H 5.010 . 5.010 3.363 2.219 4.581 . 0 0 "[ . 1 . 2]" 1
1497 1 57 GLU QG 1 58 ASN H 5.310 . 5.310 3.925 2.681 4.961 . 0 0 "[ . 1 . 2]" 1
1498 1 57 GLU QG 1 60 ILE MD 5.670 . 5.670 4.193 2.399 5.439 . 0 0 "[ . 1 . 2]" 1
1499 1 57 GLU QG 1 60 ILE MG 6.390 . 6.390 5.210 3.047 6.014 . 0 0 "[ . 1 . 2]" 1
1500 1 58 ASN H 1 58 ASN QB 3.810 . 3.810 2.424 2.185 3.152 . 0 0 "[ . 1 . 2]" 1
1501 1 58 ASN H 1 59 LYS H 4.120 . 4.120 3.022 1.998 4.242 0.122 20 0 "[ . 1 . 2]" 1
1502 1 58 ASN H 1 59 LYS HA 6.200 . 6.200 5.218 3.952 6.188 . 0 0 "[ . 1 . 2]" 1
1503 1 58 ASN H 1 59 LYS QG 6.580 . 6.580 6.056 4.793 6.738 0.158 13 0 "[ . 1 . 2]" 1
1504 1 58 ASN H 1 60 ILE MG 4.740 . 4.740 3.889 2.699 4.860 0.120 10 0 "[ . 1 . 2]" 1
1505 1 58 ASN QB 1 59 LYS H 4.390 . 4.390 2.903 2.092 4.070 . 0 0 "[ . 1 . 2]" 1
1506 1 58 ASN HB2 1 59 LYS H 5.060 . 5.060 3.923 2.119 4.650 . 0 0 "[ . 1 . 2]" 1
1507 1 58 ASN HB3 1 59 LYS H 5.060 . 5.060 3.150 2.108 4.599 . 0 0 "[ . 1 . 2]" 1
1508 1 59 LYS H 1 59 LYS QB 3.920 . 3.920 2.894 2.430 3.423 . 0 0 "[ . 1 . 2]" 1
1509 1 59 LYS H 1 59 LYS HG2 5.340 . 5.340 4.310 3.470 4.924 . 0 0 "[ . 1 . 2]" 1
1510 1 59 LYS H 1 59 LYS QG 4.700 . 4.700 3.691 2.735 4.280 . 0 0 "[ . 1 . 2]" 1
1511 1 59 LYS H 1 59 LYS HG3 5.340 . 5.340 4.114 2.815 4.902 . 0 0 "[ . 1 . 2]" 1
1512 1 59 LYS H 1 60 ILE H 4.620 . 4.620 3.256 1.804 3.937 . 0 0 "[ . 1 . 2]" 1
1513 1 59 LYS H 1 60 ILE QG 5.850 . 5.850 4.070 3.231 5.759 . 0 0 "[ . 1 . 2]" 1
1514 1 59 LYS HA 1 60 ILE H 3.620 . 3.620 2.440 2.146 3.387 . 0 0 "[ . 1 . 2]" 1
1515 1 59 LYS HA 1 60 ILE MG 5.780 . 5.780 4.502 4.007 4.898 . 0 0 "[ . 1 . 2]" 1
1516 1 59 LYS QB 1 60 ILE H 4.590 . 4.590 3.937 3.502 4.095 . 0 0 "[ . 1 . 2]" 1
1517 1 59 LYS QD 1 60 ILE H 6.830 . 6.830 5.716 4.790 6.229 . 0 0 "[ . 1 . 2]" 1
1518 1 59 LYS QG 1 60 ILE H 5.310 . 5.310 4.077 3.373 4.664 . 0 0 "[ . 1 . 2]" 1
1519 1 60 ILE H 1 60 ILE HB 4.290 . 4.290 3.790 3.158 3.950 . 0 0 "[ . 1 . 2]" 1
1520 1 60 ILE H 1 60 ILE MD 5.740 . 5.740 3.550 2.752 4.769 . 0 0 "[ . 1 . 2]" 1
1521 1 60 ILE H 1 60 ILE HG12 4.660 . 4.660 3.243 2.167 4.515 . 0 0 "[ . 1 . 2]" 1
1522 1 60 ILE H 1 60 ILE QG 4.040 . 4.040 2.320 1.927 4.114 0.074 7 0 "[ . 1 . 2]" 1
1523 1 60 ILE H 1 60 ILE HG13 4.660 . 4.660 2.665 1.938 4.739 0.079 7 0 "[ . 1 . 2]" 1
1524 1 60 ILE H 1 60 ILE MG 4.660 . 4.660 3.027 2.175 3.458 . 0 0 "[ . 1 . 2]" 1
1525 1 60 ILE HA 1 60 ILE MD 4.750 . 4.750 4.013 3.773 4.282 . 0 0 "[ . 1 . 2]" 1
1526 1 60 ILE HA 1 61 HIS H 3.580 . 3.580 2.287 2.177 2.829 . 0 0 "[ . 1 . 2]" 1
1527 1 60 ILE HB 1 61 HIS H 4.510 . 4.510 2.958 1.933 4.298 . 0 0 "[ . 1 . 2]" 1
1528 1 60 ILE MD 1 61 HIS H 6.830 . 6.830 4.218 2.848 5.489 . 0 0 "[ . 1 . 2]" 1
1529 1 60 ILE MD 1 62 GLY H 5.400 . 5.400 3.589 2.176 4.927 . 0 0 "[ . 1 . 2]" 1
1530 1 60 ILE MD 1 62 GLY HA2 6.320 . 6.320 3.334 2.499 4.734 . 0 0 "[ . 1 . 2]" 1
1531 1 60 ILE MD 1 62 GLY HA3 6.770 . 6.770 3.802 2.721 5.308 . 0 0 "[ . 1 . 2]" 1
1532 1 60 ILE MD 1 63 THR H 6.590 . 6.590 5.103 4.052 6.292 . 0 0 "[ . 1 . 2]" 1
1533 1 60 ILE QG 1 61 HIS H 5.500 . 5.500 4.193 2.750 4.728 . 0 0 "[ . 1 . 2]" 1
1534 1 60 ILE QG 1 62 GLY HA2 6.580 . 6.580 4.573 2.696 5.625 . 0 0 "[ . 1 . 2]" 1
1535 1 60 ILE MG 1 61 HIS H 4.610 . 4.610 3.756 3.394 4.150 . 0 0 "[ . 1 . 2]" 1
1536 1 61 HIS H 1 61 HIS HD2 4.810 . 4.810 4.295 2.574 5.062 0.252 7 0 "[ . 1 . 2]" 1
1537 1 61 HIS HB2 1 62 GLY H 5.410 . 5.410 3.925 2.388 4.509 . 0 0 "[ . 1 . 2]" 1
1538 1 61 HIS HB3 1 62 GLY H 5.410 . 5.410 3.845 2.298 4.624 . 0 0 "[ . 1 . 2]" 1
1539 1 61 HIS HD2 1 62 GLY H 4.710 . 4.710 4.057 3.114 4.821 0.111 16 0 "[ . 1 . 2]" 1
1540 1 61 HIS HD2 1 63 THR MG 4.270 . 4.270 3.739 1.861 4.380 0.110 10 0 "[ . 1 . 2]" 1
1541 1 62 GLY H 1 63 THR MG 6.120 . 6.120 5.094 3.263 6.131 0.011 13 0 "[ . 1 . 2]" 1
1542 1 62 GLY HA2 1 63 THR H 3.690 . 3.690 2.470 2.155 2.865 . 0 0 "[ . 1 . 2]" 1
1543 1 62 GLY HA2 1 63 THR MG 6.830 . 6.830 5.302 4.481 5.926 . 0 0 "[ . 1 . 2]" 1
1544 1 62 GLY HA3 1 63 THR HA 6.580 . 6.580 4.603 4.471 4.668 . 0 0 "[ . 1 . 2]" 1
1545 1 62 GLY HA3 1 63 THR MG 6.440 . 6.440 5.487 4.419 6.162 . 0 0 "[ . 1 . 2]" 1
1546 1 63 THR H 1 63 THR MG 4.530 . 4.530 3.588 2.607 4.066 . 0 0 "[ . 1 . 2]" 1
1547 1 63 THR HA 1 64 ALA H 3.520 . 3.520 2.202 2.126 2.291 . 0 0 "[ . 1 . 2]" 1
1548 1 63 THR HB 1 64 ALA H 4.240 . 4.240 3.606 2.770 4.185 . 0 0 "[ . 1 . 2]" 1
1549 1 63 THR MG 1 64 ALA H 4.580 . 4.580 2.989 2.295 3.927 . 0 0 "[ . 1 . 2]" 1
1550 1 64 ALA HA 1 65 ASP H 3.500 . 3.500 2.175 2.134 2.217 . 0 0 "[ . 1 . 2]" 1
1551 1 64 ALA HA 1 65 ASP HB2 6.250 . 6.250 4.630 4.248 4.897 . 0 0 "[ . 1 . 2]" 1
1552 1 64 ALA MB 1 65 ASP H 4.110 . 4.110 3.030 2.835 3.149 . 0 0 "[ . 1 . 2]" 1
1553 1 64 ALA MB 1 65 ASP HA 5.990 . 5.990 4.399 4.299 4.463 . 0 0 "[ . 1 . 2]" 1
1554 1 64 ALA MB 1 65 ASP HB2 6.460 . 6.460 4.938 4.769 5.098 . 0 0 "[ . 1 . 2]" 1
1555 1 64 ALA MB 1 66 ILE H 6.830 . 6.830 5.082 4.684 5.462 . 0 0 "[ . 1 . 2]" 1
1556 1 65 ASP H 1 65 ASP HB2 4.160 . 4.160 2.496 2.258 2.689 . 0 0 "[ . 1 . 2]" 1
1557 1 65 ASP H 1 66 ILE MG 6.700 . 6.700 4.800 4.366 5.172 . 0 0 "[ . 1 . 2]" 1
1558 1 65 ASP HA 1 66 ILE HG13 6.830 . 6.830 5.074 4.888 5.279 . 0 0 "[ . 1 . 2]" 1
1559 1 65 ASP HA 1 66 ILE MG 5.500 . 5.500 3.769 3.462 3.946 . 0 0 "[ . 1 . 2]" 1
1560 1 65 ASP HB2 1 66 ILE H 5.840 . 5.840 4.196 3.703 4.616 . 0 0 "[ . 1 . 2]" 1
1561 1 65 ASP HB2 1 67 TYR QD 6.240 . 6.240 3.730 3.168 4.832 . 0 0 "[ . 1 . 2]" 1
1562 1 65 ASP HB3 1 66 ILE H 5.020 . 5.020 3.301 2.816 3.936 . 0 0 "[ . 1 . 2]" 1
1563 1 65 ASP HB3 1 67 TYR QD 6.160 . 6.160 3.743 3.146 4.544 . 0 0 "[ . 1 . 2]" 1
1564 1 66 ILE H 1 66 ILE MD 4.870 . 4.870 3.768 3.654 3.920 . 0 0 "[ . 1 . 2]" 1
1565 1 66 ILE H 1 66 ILE HG12 4.270 . 4.270 2.099 1.949 2.307 . 0 0 "[ . 1 . 2]" 1
1566 1 66 ILE H 1 66 ILE HG13 4.450 . 4.450 2.932 2.804 3.105 . 0 0 "[ . 1 . 2]" 1
1567 1 66 ILE H 1 66 ILE MG 4.590 . 4.590 2.792 2.635 2.982 . 0 0 "[ . 1 . 2]" 1
1568 1 66 ILE HA 1 67 TYR H 3.440 . 3.440 2.135 2.062 2.199 . 0 0 "[ . 1 . 2]" 1
1569 1 66 ILE HA 1 67 TYR HB2 6.170 . 6.170 4.207 4.069 4.339 . 0 0 "[ . 1 . 2]" 1
1570 1 66 ILE HA 1 67 TYR QD 5.800 . 5.800 3.185 2.927 3.485 . 0 0 "[ . 1 . 2]" 1
1571 1 66 ILE HB 1 67 TYR H 4.530 . 4.530 3.007 2.895 3.129 . 0 0 "[ . 1 . 2]" 1
1572 1 66 ILE HB 1 67 TYR HA 6.830 . 6.830 4.710 4.614 4.826 . 0 0 "[ . 1 . 2]" 1
1573 1 66 ILE MD 1 67 TYR H 6.580 . 6.580 4.922 4.742 5.062 . 0 0 "[ . 1 . 2]" 1
1574 1 66 ILE HG13 1 67 TYR H 6.830 . 6.830 4.363 4.186 4.502 . 0 0 "[ . 1 . 2]" 1
1575 1 66 ILE MG 1 67 TYR H 4.640 . 4.640 3.727 3.591 3.834 . 0 0 "[ . 1 . 2]" 1
1576 1 67 TYR H 1 67 TYR HB2 4.400 . 4.400 2.629 2.552 2.758 . 0 0 "[ . 1 . 2]" 1
1577 1 67 TYR H 1 67 TYR QD 5.310 . 5.310 3.058 2.858 3.251 . 0 0 "[ . 1 . 2]" 1
1578 1 67 TYR H 1 68 LYS H 5.900 . 5.900 4.379 4.316 4.428 . 0 0 "[ . 1 . 2]" 1
1579 1 67 TYR HA 1 68 LYS H 3.600 . 3.600 2.201 2.084 2.268 . 0 0 "[ . 1 . 2]" 1
1580 1 67 TYR HA 1 68 LYS HB2 6.680 . 6.680 4.361 3.921 4.561 . 0 0 "[ . 1 . 2]" 1
1581 1 67 TYR HA 1 68 LYS HB3 6.680 . 6.680 5.437 4.519 5.760 . 0 0 "[ . 1 . 2]" 1
1582 1 67 TYR HB2 1 68 LYS H 5.570 . 5.570 3.990 3.870 4.159 . 0 0 "[ . 1 . 2]" 1
1583 1 67 TYR HB2 1 68 LYS HA 6.830 . 6.830 4.981 4.769 5.302 . 0 0 "[ . 1 . 2]" 1
1584 1 67 TYR HB3 1 68 LYS H 4.710 . 4.710 2.819 2.597 3.048 . 0 0 "[ . 1 . 2]" 1
1585 1 67 TYR HB3 1 68 LYS HA 6.830 . 6.830 4.434 4.304 4.601 . 0 0 "[ . 1 . 2]" 1
1586 1 68 LYS H 1 68 LYS QG 5.130 . 5.130 3.349 2.852 4.122 . 0 0 "[ . 1 . 2]" 1
1587 1 68 LYS H 1 70 LYS HG3 6.830 . 6.830 5.807 5.192 6.760 . 0 0 "[ . 1 . 2]" 1
1588 1 68 LYS HA 1 68 LYS QD 4.950 . 4.950 3.422 2.004 4.281 . 0 0 "[ . 1 . 2]" 1
1589 1 68 LYS HA 1 69 LYS H 3.530 . 3.530 2.251 2.156 2.334 . 0 0 "[ . 1 . 2]" 1
1590 1 68 LYS HA 1 69 LYS HB2 6.060 . 6.060 4.396 4.212 4.684 . 0 0 "[ . 1 . 2]" 1
1591 1 68 LYS HA 1 69 LYS HB3 6.070 . 6.070 4.911 4.685 5.144 . 0 0 "[ . 1 . 2]" 1
1592 1 68 LYS QB 1 68 LYS QE 4.010 . 4.010 2.484 1.944 3.855 . 0 0 "[ . 1 . 2]" 1
1593 1 68 LYS QB 1 70 LYS HG3 6.260 . 6.260 5.273 4.461 6.085 . 0 0 "[ . 1 . 2]" 1
1594 1 68 LYS HB2 1 69 LYS H 5.460 . 5.460 4.154 3.928 4.562 . 0 0 "[ . 1 . 2]" 1
1595 1 68 LYS HB3 1 69 LYS H 5.460 . 5.460 3.211 2.733 4.105 . 0 0 "[ . 1 . 2]" 1
1596 1 68 LYS QD 1 69 LYS H 5.080 . 5.080 4.392 2.317 5.178 0.098 14 0 "[ . 1 . 2]" 1
1597 1 68 LYS QG 1 69 LYS H 4.870 . 4.870 3.787 2.478 4.622 . 0 0 "[ . 1 . 2]" 1
1598 1 69 LYS H 1 69 LYS HB2 4.110 . 4.110 2.504 2.313 2.708 . 0 0 "[ . 1 . 2]" 1
1599 1 69 LYS H 1 69 LYS HB3 4.120 . 4.120 2.680 2.486 2.878 . 0 0 "[ . 1 . 2]" 1
1600 1 69 LYS H 1 69 LYS QD 5.670 . 5.670 4.627 4.398 4.884 . 0 0 "[ . 1 . 2]" 1
1601 1 69 LYS H 1 69 LYS HG2 5.650 . 5.650 4.538 4.294 4.694 . 0 0 "[ . 1 . 2]" 1
1602 1 69 LYS H 1 69 LYS QG 4.820 . 4.820 4.012 3.952 4.066 . 0 0 "[ . 1 . 2]" 1
1603 1 69 LYS H 1 69 LYS HG3 5.650 . 5.650 4.476 4.354 4.620 . 0 0 "[ . 1 . 2]" 1
1604 1 69 LYS HA 1 69 LYS QD 4.860 . 4.860 3.842 2.215 4.193 . 0 0 "[ . 1 . 2]" 1
1605 1 69 LYS HA 1 70 LYS H 3.350 . 3.350 2.154 2.083 2.261 . 0 0 "[ . 1 . 2]" 1
1606 1 69 LYS HA 1 70 LYS QB 5.990 . 5.990 4.390 4.248 4.500 . 0 0 "[ . 1 . 2]" 1
1607 1 69 LYS HA 1 70 LYS HG3 5.870 . 5.870 3.887 3.667 4.094 . 0 0 "[ . 1 . 2]" 1
1608 1 69 LYS HB2 1 70 LYS H 5.660 . 5.660 4.342 4.064 4.565 . 0 0 "[ . 1 . 2]" 1
1609 1 69 LYS HB3 1 70 LYS H 5.060 . 5.060 4.112 3.786 4.344 . 0 0 "[ . 1 . 2]" 1
1610 1 69 LYS HB3 1 71 LEU H 6.370 . 6.370 5.181 3.812 6.397 0.027 7 0 "[ . 1 . 2]" 1
1611 1 69 LYS QD 1 70 LYS H 5.970 . 5.970 4.512 2.503 5.255 . 0 0 "[ . 1 . 2]" 1
1612 1 69 LYS HG2 1 70 LYS H 5.080 . 5.080 3.203 2.287 4.791 . 0 0 "[ . 1 . 2]" 1
1613 1 69 LYS HG3 1 70 LYS H 5.080 . 5.080 3.562 2.763 5.097 0.017 14 0 "[ . 1 . 2]" 1
1614 1 70 LYS H 1 70 LYS QB 3.680 . 3.680 2.432 2.350 2.525 . 0 0 "[ . 1 . 2]" 1
1615 1 70 LYS H 1 70 LYS HD2 6.320 . 6.320 4.435 3.964 4.880 . 0 0 "[ . 1 . 2]" 1
1616 1 70 LYS H 1 70 LYS HD3 6.320 . 6.320 4.287 3.675 4.952 . 0 0 "[ . 1 . 2]" 1
1617 1 70 LYS H 1 70 LYS HG2 5.060 . 5.060 3.542 3.234 3.815 . 0 0 "[ . 1 . 2]" 1
1618 1 70 LYS H 1 70 LYS HG3 4.290 . 4.290 2.326 2.081 2.607 . 0 0 "[ . 1 . 2]" 1
1619 1 70 LYS HA 1 70 LYS HG2 4.230 . 4.230 2.631 2.462 2.793 . 0 0 "[ . 1 . 2]" 1
1620 1 70 LYS HA 1 71 LEU H 3.300 . 3.300 2.260 2.131 3.429 0.129 12 0 "[ . 1 . 2]" 1
1621 1 70 LYS HA 1 71 LEU QB 6.220 . 6.220 4.490 3.974 5.511 . 0 0 "[ . 1 . 2]" 1
1622 1 70 LYS HA 1 71 LEU HG 6.200 . 6.200 5.125 3.754 6.328 0.128 6 0 "[ . 1 . 2]" 1
1623 1 70 LYS QB 1 71 LEU H 4.140 . 4.140 3.414 2.446 3.814 . 0 0 "[ . 1 . 2]" 1
1624 1 70 LYS QB 1 71 LEU HA 6.580 . 6.580 4.589 4.156 5.162 . 0 0 "[ . 1 . 2]" 1
1625 1 70 LYS HB2 1 71 LEU H 4.800 . 4.800 4.267 2.976 4.541 . 0 0 "[ . 1 . 2]" 1
1626 1 70 LYS HB3 1 71 LEU H 4.800 . 4.800 3.644 2.483 4.127 . 0 0 "[ . 1 . 2]" 1
1627 1 70 LYS HG2 1 71 LEU H 4.990 . 4.990 4.635 4.074 5.033 0.043 12 0 "[ . 1 . 2]" 1
1628 1 70 LYS HG3 1 71 LEU H 5.380 . 5.380 5.074 4.352 5.303 . 0 0 "[ . 1 . 2]" 1
1629 1 71 LEU H 1 71 LEU HB2 4.270 . 4.270 2.914 2.223 3.821 . 0 0 "[ . 1 . 2]" 1
1630 1 71 LEU H 1 71 LEU QB 3.540 . 3.540 2.747 2.126 3.438 . 0 0 "[ . 1 . 2]" 1
1631 1 71 LEU H 1 71 LEU HB3 4.270 . 4.270 3.609 2.704 4.125 . 0 0 "[ . 1 . 2]" 1
1632 1 71 LEU H 1 71 LEU MD1 5.410 . 5.410 3.383 2.070 4.924 . 0 0 "[ . 1 . 2]" 1
1633 1 71 LEU H 1 71 LEU HG 4.560 . 4.560 3.400 1.989 4.659 0.099 20 0 "[ . 1 . 2]" 1
1634 1 71 LEU HA 1 71 LEU MD1 3.940 . 3.940 3.529 2.634 3.961 0.021 9 0 "[ . 1 . 2]" 1
1635 1 71 LEU HA 1 71 LEU HG 4.140 . 4.140 2.907 2.465 3.769 . 0 0 "[ . 1 . 2]" 1
1636 1 71 LEU HA 1 72 GLU H 3.300 . 3.300 2.347 2.146 2.966 . 0 0 "[ . 1 . 2]" 1
1637 1 71 LEU QB 1 72 GLU H 4.380 . 4.380 3.363 2.069 3.975 . 0 0 "[ . 1 . 2]" 1
1638 1 71 LEU QB 1 72 GLU HA 5.690 . 5.690 4.569 4.257 5.303 . 0 0 "[ . 1 . 2]" 1
1639 1 71 LEU HB2 1 72 GLU H 5.300 . 5.300 4.146 2.553 4.628 . 0 0 "[ . 1 . 2]" 1
1640 1 71 LEU HB3 1 72 GLU H 5.300 . 5.300 3.669 2.092 4.504 . 0 0 "[ . 1 . 2]" 1
1641 1 71 LEU MD2 1 72 GLU H 6.510 . 6.510 4.184 1.989 5.752 . 0 0 "[ . 1 . 2]" 1
1642 1 71 LEU HG 1 72 GLU H 5.690 . 5.690 4.676 3.073 5.341 . 0 0 "[ . 1 . 2]" 1
1643 1 72 GLU H 1 72 GLU QB 3.770 . 3.770 2.536 2.189 3.008 . 0 0 "[ . 1 . 2]" 1
1644 1 72 GLU HB2 1 73 HIS H 6.150 . 6.150 3.867 2.470 4.653 . 0 0 "[ . 1 . 2]" 1
1645 1 72 GLU HB3 1 73 HIS H 6.150 . 6.150 3.598 2.007 4.550 . 0 0 "[ . 1 . 2]" 1
1646 1 72 GLU QG 1 73 HIS H 6.220 . 6.220 3.375 1.569 4.722 . 0 0 "[ . 1 . 2]" 1
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