NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611332 |
5tr5   |
30197 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5tr5
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 983
_Distance_constraint_stats_list.Viol_count 1406
_Distance_constraint_stats_list.Viol_total 2411.294
_Distance_constraint_stats_list.Viol_max 0.445
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0686
_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 MET 3.507 0.173 25 0 "[ . 1 . 2 .]"
1 2 ILE 4.603 0.159 11 0 "[ . 1 . 2 .]"
1 3 VAL 2.597 0.135 13 0 "[ . 1 . 2 .]"
1 4 PHE 5.742 0.203 8 0 "[ . 1 . 2 .]"
1 5 VAL 11.102 0.296 24 0 "[ . 1 . 2 .]"
1 6 ARG 5.196 0.296 24 0 "[ . 1 . 2 .]"
1 7 PHE 2.328 0.138 15 0 "[ . 1 . 2 .]"
1 8 ASN 0.241 0.165 22 0 "[ . 1 . 2 .]"
1 11 HIS 0.202 0.143 15 0 "[ . 1 . 2 .]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 PHE 2.601 0.159 16 0 "[ . 1 . 2 .]"
1 14 PRO 0.365 0.075 19 0 "[ . 1 . 2 .]"
1 15 VAL 3.347 0.202 14 0 "[ . 1 . 2 .]"
1 16 GLU 1.879 0.219 21 0 "[ . 1 . 2 .]"
1 17 VAL 4.075 0.219 21 0 "[ . 1 . 2 .]"
1 18 ASP 0.711 0.113 7 0 "[ . 1 . 2 .]"
1 19 SER 0.585 0.106 10 0 "[ . 1 . 2 .]"
1 20 ASP 2.625 0.193 15 0 "[ . 1 . 2 .]"
1 21 THR 4.946 0.193 15 0 "[ . 1 . 2 .]"
1 22 SER 0.005 0.005 20 0 "[ . 1 . 2 .]"
1 23 ILE 5.030 0.218 12 0 "[ . 1 . 2 .]"
1 24 PHE 1.777 0.221 12 0 "[ . 1 . 2 .]"
1 25 GLN 0.979 0.207 18 0 "[ . 1 . 2 .]"
1 26 LEU 3.119 0.178 13 0 "[ . 1 . 2 .]"
1 27 LYS 2.251 0.156 1 0 "[ . 1 . 2 .]"
1 28 GLU 5.540 0.258 14 0 "[ . 1 . 2 .]"
1 29 VAL 1.182 0.138 5 0 "[ . 1 . 2 .]"
1 30 VAL 0.510 0.090 18 0 "[ . 1 . 2 .]"
1 31 ALA 0.616 0.077 17 0 "[ . 1 . 2 .]"
1 32 LYS 4.311 0.247 23 0 "[ . 1 . 2 .]"
1 33 ARG 5.488 0.247 23 0 "[ . 1 . 2 .]"
1 34 GLN 2.589 0.180 25 0 "[ . 1 . 2 .]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 VAL 3.221 0.161 24 0 "[ . 1 . 2 .]"
1 37 PRO 0.375 0.092 9 0 "[ . 1 . 2 .]"
1 38 ALA 4.238 0.258 14 0 "[ . 1 . 2 .]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 GLN 0.114 0.107 11 0 "[ . 1 . 2 .]"
1 41 LEU 1.539 0.135 13 0 "[ . 1 . 2 .]"
1 42 ARG 5.818 0.286 10 0 "[ . 1 . 2 .]"
1 43 VAL 3.494 0.286 10 0 "[ . 1 . 2 .]"
1 44 ILE 0.520 0.085 5 0 "[ . 1 . 2 .]"
1 45 PHE 1.338 0.149 15 0 "[ . 1 . 2 .]"
1 46 ALA 0.349 0.177 5 0 "[ . 1 . 2 .]"
1 47 GLY 0.626 0.149 15 0 "[ . 1 . 2 .]"
1 48 LYS 5.315 0.232 7 0 "[ . 1 . 2 .]"
1 49 GLU 0.888 0.164 5 0 "[ . 1 . 2 .]"
1 50 LEU 8.781 0.218 12 0 "[ . 1 . 2 .]"
1 51 ARG 2.090 0.159 5 0 "[ . 1 . 2 .]"
1 52 ASN 0.283 0.132 21 0 "[ . 1 . 2 .]"
1 53 ASP 3.375 0.298 19 0 "[ . 1 . 2 .]"
1 54 TRP 5.932 0.298 19 0 "[ . 1 . 2 .]"
1 55 THR 3.106 0.181 4 0 "[ . 1 . 2 .]"
1 56 VAL 4.962 0.131 6 0 "[ . 1 . 2 .]"
1 57 GLN 2.841 0.197 20 0 "[ . 1 . 2 .]"
1 58 ASN 0.507 0.103 25 0 "[ . 1 . 2 .]"
1 59 CYS 1.282 0.439 16 0 "[ . 1 . 2 .]"
1 60 ASP 0.792 0.439 16 0 "[ . 1 . 2 .]"
1 61 LEU 3.961 0.180 21 0 "[ . 1 . 2 .]"
1 62 ASP 1.172 0.123 4 0 "[ . 1 . 2 .]"
1 63 GLN 2.360 0.180 21 0 "[ . 1 . 2 .]"
1 64 GLN 0.209 0.122 20 0 "[ . 1 . 2 .]"
1 66 ILE 9.595 0.212 12 0 "[ . 1 . 2 .]"
1 67 VAL 1.206 0.132 9 0 "[ . 1 . 2 .]"
1 68 HIS 2.051 0.146 18 0 "[ . 1 . 2 .]"
1 69 ILE 1.247 0.096 3 0 "[ . 1 . 2 .]"
1 70 VAL 1.194 0.278 9 0 "[ . 1 . 2 .]"
1 71 GLN 1.908 0.145 24 0 "[ . 1 . 2 .]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 73 PRO 1.592 0.174 13 0 "[ . 1 . 2 .]"
1 74 TRP 0.910 0.445 23 0 "[ . 1 . 2 .]"
1 75 ARG 0.536 0.116 2 0 "[ . 1 . 2 .]"
1 76 LYS 3.209 0.415 24 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 MET HA 1 1 MET QG 3.580 . 3.580 2.883 2.388 3.504 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 MET HA 1 2 ILE H 2.850 . 2.850 2.263 2.103 2.634 . 0 0 "[ . 1 . 2 .]" 1
3 1 1 MET HA 1 2 ILE HB 4.890 . 4.890 4.629 4.499 4.909 0.019 10 0 "[ . 1 . 2 .]" 1
4 1 1 MET HA 1 17 VAL MG2 5.080 . 5.080 4.677 4.271 5.143 0.063 18 0 "[ . 1 . 2 .]" 1
5 1 1 MET QB 1 1 MET ME 4.190 . 4.190 3.543 2.217 3.681 . 0 0 "[ . 1 . 2 .]" 1
6 1 1 MET QB 1 3 VAL MG1 4.400 . 4.400 3.873 3.512 4.322 . 0 0 "[ . 1 . 2 .]" 1
7 1 1 MET HB2 1 1 MET QG 2.740 . 2.740 2.308 2.159 2.375 . 0 0 "[ . 1 . 2 .]" 1
8 1 1 MET HB2 1 2 ILE H 4.220 . 4.220 3.467 2.086 4.364 0.144 13 0 "[ . 1 . 2 .]" 1
9 1 1 MET HB3 1 1 MET QG 2.740 . 2.740 2.348 2.305 2.387 . 0 0 "[ . 1 . 2 .]" 1
10 1 1 MET HB3 1 2 ILE H 4.220 . 4.220 4.039 3.604 4.320 0.100 14 0 "[ . 1 . 2 .]" 1
11 1 1 MET ME 1 1 MET QG 3.100 . 3.100 2.237 2.212 2.369 . 0 0 "[ . 1 . 2 .]" 1
12 1 1 MET ME 1 3 VAL MG1 3.010 . 3.010 2.014 1.862 2.191 . 0 0 "[ . 1 . 2 .]" 1
13 1 1 MET ME 1 17 VAL MG2 4.020 . 4.020 3.401 2.605 4.098 0.078 17 0 "[ . 1 . 2 .]" 1
14 1 1 MET ME 1 56 VAL H 5.500 . 5.500 5.268 4.793 5.589 0.089 14 0 "[ . 1 . 2 .]" 1
15 1 1 MET ME 1 56 VAL MG1 4.110 . 4.110 2.791 2.093 3.331 . 0 0 "[ . 1 . 2 .]" 1
16 1 1 MET ME 1 56 VAL MG2 4.260 . 4.260 2.511 2.165 2.901 . 0 0 "[ . 1 . 2 .]" 1
17 1 1 MET ME 1 57 GLN HA 3.600 . 3.600 2.190 1.837 2.680 . 0 0 "[ . 1 . 2 .]" 1
18 1 1 MET ME 1 57 GLN QB 4.390 . 4.390 3.695 2.698 4.442 0.052 25 0 "[ . 1 . 2 .]" 1
19 1 1 MET ME 1 62 ASP HA 4.890 . 4.890 4.275 3.438 4.970 0.080 12 0 "[ . 1 . 2 .]" 1
20 1 1 MET ME 1 62 ASP HB2 4.460 . 4.460 3.210 1.995 4.283 . 0 0 "[ . 1 . 2 .]" 1
21 1 1 MET ME 1 62 ASP QB 3.810 . 3.810 2.590 1.928 3.495 . 0 0 "[ . 1 . 2 .]" 1
22 1 1 MET ME 1 62 ASP HB3 4.460 . 4.460 2.928 2.425 4.046 . 0 0 "[ . 1 . 2 .]" 1
23 1 1 MET ME 1 63 GLN H 4.620 . 4.620 4.486 3.897 4.793 0.173 25 0 "[ . 1 . 2 .]" 1
24 1 1 MET QG 1 2 ILE H 3.730 . 3.730 3.083 2.321 3.643 . 0 0 "[ . 1 . 2 .]" 1
25 1 1 MET QG 1 2 ILE HA 4.020 . 4.020 3.969 3.693 4.067 0.047 14 0 "[ . 1 . 2 .]" 1
26 1 1 MET QG 1 3 VAL MG1 3.030 . 3.030 2.356 2.037 2.624 . 0 0 "[ . 1 . 2 .]" 1
27 1 1 MET QG 1 3 VAL MG2 4.580 . 4.580 4.177 3.759 4.596 0.016 4 0 "[ . 1 . 2 .]" 1
28 1 1 MET QG 1 17 VAL H 4.580 . 4.580 4.264 3.596 4.714 0.134 10 0 "[ . 1 . 2 .]" 1
29 1 1 MET QG 1 17 VAL MG2 4.070 . 4.070 3.003 2.233 3.815 . 0 0 "[ . 1 . 2 .]" 1
30 1 1 MET QG 1 62 ASP QB 4.240 . 4.240 2.997 1.976 3.916 . 0 0 "[ . 1 . 2 .]" 1
31 1 2 ILE H 1 2 ILE HB 3.440 . 3.440 2.528 2.407 2.729 . 0 0 "[ . 1 . 2 .]" 1
32 1 2 ILE H 1 2 ILE MD 4.310 . 4.310 3.726 2.257 4.150 . 0 0 "[ . 1 . 2 .]" 1
33 1 2 ILE H 1 2 ILE HG12 4.300 . 4.300 3.701 2.659 4.352 0.052 13 0 "[ . 1 . 2 .]" 1
34 1 2 ILE H 1 2 ILE QG 3.750 . 3.750 2.756 2.388 3.680 . 0 0 "[ . 1 . 2 .]" 1
35 1 2 ILE H 1 2 ILE HG13 4.300 . 4.300 3.023 2.420 4.047 . 0 0 "[ . 1 . 2 .]" 1
36 1 2 ILE H 1 2 ILE MG 4.330 . 4.330 3.799 3.736 3.895 . 0 0 "[ . 1 . 2 .]" 1
37 1 2 ILE H 1 3 VAL MG1 4.730 . 4.730 4.249 3.854 4.558 . 0 0 "[ . 1 . 2 .]" 1
38 1 2 ILE HA 1 2 ILE MD 4.060 . 4.060 3.438 2.062 3.856 . 0 0 "[ . 1 . 2 .]" 1
39 1 2 ILE HA 1 2 ILE HG12 3.950 . 3.950 2.704 2.454 3.637 . 0 0 "[ . 1 . 2 .]" 1
40 1 2 ILE HA 1 2 ILE QG 3.410 . 3.410 2.451 2.322 2.806 . 0 0 "[ . 1 . 2 .]" 1
41 1 2 ILE HA 1 2 ILE HG13 3.950 . 3.950 3.061 2.350 3.765 . 0 0 "[ . 1 . 2 .]" 1
42 1 2 ILE HA 1 2 ILE MG 3.430 . 3.430 2.447 2.351 2.556 . 0 0 "[ . 1 . 2 .]" 1
43 1 2 ILE HA 1 3 VAL H 3.350 . 3.350 2.138 2.115 2.172 . 0 0 "[ . 1 . 2 .]" 1
44 1 2 ILE HA 1 3 VAL MG1 3.880 . 3.880 3.782 3.581 3.891 0.011 22 0 "[ . 1 . 2 .]" 1
45 1 2 ILE HA 1 3 VAL MG2 4.010 . 4.010 3.790 3.650 3.944 . 0 0 "[ . 1 . 2 .]" 1
46 1 2 ILE HA 1 16 GLU HA 3.970 . 3.970 2.211 1.913 2.579 . 0 0 "[ . 1 . 2 .]" 1
47 1 2 ILE HA 1 16 GLU QG 3.980 . 3.980 3.675 3.324 4.059 0.079 22 0 "[ . 1 . 2 .]" 1
48 1 2 ILE HB 1 2 ILE MD 3.120 . 3.120 2.557 2.350 3.224 0.104 23 0 "[ . 1 . 2 .]" 1
49 1 2 ILE MD 1 16 GLU H 5.130 . 5.130 4.780 3.407 5.184 0.054 12 0 "[ . 1 . 2 .]" 1
50 1 2 ILE MD 1 16 GLU HA 4.160 . 4.160 3.645 1.943 4.216 0.056 18 0 "[ . 1 . 2 .]" 1
51 1 2 ILE MD 1 16 GLU QB 3.810 . 3.810 3.123 2.054 3.928 0.118 21 0 "[ . 1 . 2 .]" 1
52 1 2 ILE MD 1 16 GLU QG 3.460 . 3.460 2.907 2.015 3.529 0.069 25 0 "[ . 1 . 2 .]" 1
53 1 2 ILE QG 1 16 GLU QB 3.920 . 3.920 2.712 2.005 4.015 0.095 22 0 "[ . 1 . 2 .]" 1
54 1 2 ILE QG 1 16 GLU QG 4.100 . 4.100 2.425 1.789 3.683 . 0 0 "[ . 1 . 2 .]" 1
55 1 2 ILE QG 1 17 VAL H 4.740 . 4.740 4.100 3.519 4.899 0.159 11 0 "[ . 1 . 2 .]" 1
56 1 2 ILE HG12 1 2 ILE MG 3.510 . 3.510 2.511 2.226 3.206 . 0 0 "[ . 1 . 2 .]" 1
57 1 2 ILE HG13 1 2 ILE MG 3.510 . 3.510 3.005 2.433 3.214 . 0 0 "[ . 1 . 2 .]" 1
58 1 2 ILE MG 1 3 VAL H 3.480 . 3.480 2.880 2.569 3.094 . 0 0 "[ . 1 . 2 .]" 1
59 1 2 ILE MG 1 4 PHE QD 4.050 . 4.050 4.033 3.618 4.154 0.104 8 0 "[ . 1 . 2 .]" 1
60 1 2 ILE MG 1 4 PHE QE 4.600 . 4.600 3.725 3.232 4.067 . 0 0 "[ . 1 . 2 .]" 1
61 1 2 ILE MG 1 14 PRO HA 3.830 . 3.830 3.201 2.870 3.536 . 0 0 "[ . 1 . 2 .]" 1
62 1 2 ILE MG 1 14 PRO HB2 4.000 . 4.000 2.156 1.924 2.728 . 0 0 "[ . 1 . 2 .]" 1
63 1 2 ILE MG 1 14 PRO QB 3.260 . 3.260 2.051 1.888 2.373 . 0 0 "[ . 1 . 2 .]" 1
64 1 2 ILE MG 1 14 PRO HB3 4.000 . 4.000 2.710 2.259 2.942 . 0 0 "[ . 1 . 2 .]" 1
65 1 2 ILE MG 1 14 PRO QG 4.630 . 4.630 3.519 3.255 3.845 . 0 0 "[ . 1 . 2 .]" 1
66 1 2 ILE MG 1 15 VAL H 3.650 . 3.650 3.085 2.751 3.685 0.035 22 0 "[ . 1 . 2 .]" 1
67 1 2 ILE MG 1 16 GLU HA 4.240 . 4.240 3.350 2.862 3.945 . 0 0 "[ . 1 . 2 .]" 1
68 1 2 ILE MG 1 16 GLU QG 5.050 . 5.050 4.207 2.787 5.069 0.019 23 0 "[ . 1 . 2 .]" 1
69 1 3 VAL H 1 3 VAL HB 3.980 . 3.980 3.767 3.705 3.860 . 0 0 "[ . 1 . 2 .]" 1
70 1 3 VAL H 1 3 VAL MG1 3.450 . 3.450 2.724 2.369 2.980 . 0 0 "[ . 1 . 2 .]" 1
71 1 3 VAL H 1 3 VAL MG2 3.790 . 3.790 2.111 2.031 2.258 . 0 0 "[ . 1 . 2 .]" 1
72 1 3 VAL H 1 15 VAL H 3.910 . 3.910 3.173 2.957 3.377 . 0 0 "[ . 1 . 2 .]" 1
73 1 3 VAL H 1 15 VAL HB 4.720 . 4.720 3.857 3.464 4.335 . 0 0 "[ . 1 . 2 .]" 1
74 1 3 VAL HA 1 3 VAL MG1 2.960 . 2.960 2.372 2.337 2.434 . 0 0 "[ . 1 . 2 .]" 1
75 1 3 VAL HA 1 3 VAL MG2 3.340 . 3.340 3.221 3.213 3.228 . 0 0 "[ . 1 . 2 .]" 1
76 1 3 VAL HA 1 4 PHE H 3.130 . 3.130 2.309 2.164 2.475 . 0 0 "[ . 1 . 2 .]" 1
77 1 3 VAL HA 1 62 ASP HA 4.170 . 4.170 2.991 2.061 4.056 . 0 0 "[ . 1 . 2 .]" 1
78 1 3 VAL HB 1 4 PHE H 3.770 . 3.770 2.637 2.273 3.079 . 0 0 "[ . 1 . 2 .]" 1
79 1 3 VAL MG1 1 4 PHE H 4.110 . 4.110 3.755 3.635 3.891 . 0 0 "[ . 1 . 2 .]" 1
80 1 3 VAL MG1 1 61 LEU QB 3.810 . 3.810 2.199 1.905 2.653 . 0 0 "[ . 1 . 2 .]" 1
81 1 3 VAL MG1 1 61 LEU QD 4.070 . 4.070 3.146 2.464 3.686 . 0 0 "[ . 1 . 2 .]" 1
82 1 3 VAL MG1 1 62 ASP HA 4.320 . 4.320 2.921 2.055 3.650 . 0 0 "[ . 1 . 2 .]" 1
83 1 3 VAL MG1 1 62 ASP QB 3.800 . 3.800 2.353 1.873 3.172 . 0 0 "[ . 1 . 2 .]" 1
84 1 3 VAL MG2 1 4 PHE H 4.120 . 4.120 3.555 3.248 3.890 . 0 0 "[ . 1 . 2 .]" 1
85 1 3 VAL MG2 1 5 VAL H 5.500 . 5.500 4.565 4.211 4.886 . 0 0 "[ . 1 . 2 .]" 1
86 1 3 VAL MG2 1 5 VAL QG 3.660 . 3.660 2.874 2.033 3.704 0.044 16 0 "[ . 1 . 2 .]" 1
87 1 3 VAL MG2 1 15 VAL H 4.490 . 4.490 3.179 2.865 3.478 . 0 0 "[ . 1 . 2 .]" 1
88 1 3 VAL MG2 1 15 VAL HB 3.540 . 3.540 2.561 2.019 2.938 . 0 0 "[ . 1 . 2 .]" 1
89 1 3 VAL MG2 1 61 LEU HB2 3.730 . 3.730 3.589 3.236 3.865 0.135 13 0 "[ . 1 . 2 .]" 1
90 1 3 VAL MG2 1 61 LEU QB 3.240 . 3.240 3.195 2.838 3.343 0.103 12 0 "[ . 1 . 2 .]" 1
91 1 3 VAL MG2 1 61 LEU HB3 3.730 . 3.730 3.619 3.103 3.827 0.097 23 0 "[ . 1 . 2 .]" 1
92 1 3 VAL MG2 1 62 ASP H 5.500 . 5.500 5.481 4.808 5.623 0.123 4 0 "[ . 1 . 2 .]" 1
93 1 3 VAL MG2 1 67 VAL QG 3.610 . 3.610 3.115 2.652 3.614 0.004 2 0 "[ . 1 . 2 .]" 1
94 1 4 PHE H 1 4 PHE QB 3.410 . 3.410 2.432 2.300 2.580 . 0 0 "[ . 1 . 2 .]" 1
95 1 4 PHE H 1 4 PHE QD 4.560 . 4.560 2.734 2.199 3.151 . 0 0 "[ . 1 . 2 .]" 1
96 1 4 PHE H 1 67 VAL QG 5.430 . 5.430 3.933 3.498 4.458 . 0 0 "[ . 1 . 2 .]" 1
97 1 4 PHE HA 1 4 PHE QD 3.830 . 3.830 2.744 2.256 3.140 . 0 0 "[ . 1 . 2 .]" 1
98 1 4 PHE HA 1 5 VAL H 3.390 . 3.390 2.181 2.135 2.242 . 0 0 "[ . 1 . 2 .]" 1
99 1 4 PHE HA 1 5 VAL QG 4.080 . 4.080 3.488 3.245 3.681 . 0 0 "[ . 1 . 2 .]" 1
100 1 4 PHE HA 1 13 PHE H 5.180 . 5.180 4.838 4.446 5.326 0.146 22 0 "[ . 1 . 2 .]" 1
101 1 4 PHE HA 1 14 PRO HA 3.990 . 3.990 2.306 2.005 2.839 . 0 0 "[ . 1 . 2 .]" 1
102 1 4 PHE HA 1 15 VAL H 4.230 . 4.230 3.307 2.993 3.672 . 0 0 "[ . 1 . 2 .]" 1
103 1 4 PHE HA 1 66 ILE MD 4.220 . 4.220 3.921 3.739 4.234 0.014 7 0 "[ . 1 . 2 .]" 1
104 1 4 PHE QB 1 5 VAL H 4.210 . 4.210 3.038 2.863 3.242 . 0 0 "[ . 1 . 2 .]" 1
105 1 4 PHE QB 1 66 ILE MD 3.620 . 3.620 2.119 1.903 2.452 . 0 0 "[ . 1 . 2 .]" 1
106 1 4 PHE QB 1 66 ILE MG 3.990 . 3.990 4.098 3.992 4.193 0.203 8 0 "[ . 1 . 2 .]" 1
107 1 4 PHE QD 1 14 PRO QB 4.800 . 4.800 3.181 2.397 4.268 . 0 0 "[ . 1 . 2 .]" 1
108 1 4 PHE QD 1 66 ILE MD 4.070 . 4.070 3.535 2.887 4.048 . 0 0 "[ . 1 . 2 .]" 1
109 1 4 PHE QD 1 66 ILE QG 4.100 . 4.100 3.968 3.602 4.085 . 0 0 "[ . 1 . 2 .]" 1
110 1 4 PHE QD 1 66 ILE MG 5.500 . 5.500 5.508 5.236 5.673 0.173 6 0 "[ . 1 . 2 .]" 1
111 1 4 PHE QE 1 66 ILE MD 5.380 . 5.380 5.163 4.787 5.500 0.120 7 0 "[ . 1 . 2 .]" 1
112 1 5 VAL H 1 5 VAL HB 3.980 . 3.980 3.064 2.642 3.862 . 0 0 "[ . 1 . 2 .]" 1
113 1 5 VAL H 1 5 VAL MG1 4.630 . 4.630 2.959 2.213 3.895 . 0 0 "[ . 1 . 2 .]" 1
114 1 5 VAL H 1 5 VAL QG 3.470 . 3.470 2.495 2.182 2.931 . 0 0 "[ . 1 . 2 .]" 1
115 1 5 VAL H 1 5 VAL MG2 4.630 . 4.630 3.401 2.247 3.965 . 0 0 "[ . 1 . 2 .]" 1
116 1 5 VAL H 1 6 ARG H 4.640 . 4.640 4.316 4.210 4.390 . 0 0 "[ . 1 . 2 .]" 1
117 1 5 VAL H 1 12 GLY QA 4.650 . 4.650 3.931 3.380 4.457 . 0 0 "[ . 1 . 2 .]" 1
118 1 5 VAL H 1 13 PHE H 4.050 . 4.050 3.150 2.765 3.646 . 0 0 "[ . 1 . 2 .]" 1
119 1 5 VAL H 1 15 VAL H 4.450 . 4.450 4.112 3.736 4.461 0.011 3 0 "[ . 1 . 2 .]" 1
120 1 5 VAL HA 1 5 VAL MG1 3.450 . 3.450 2.845 2.322 3.217 . 0 0 "[ . 1 . 2 .]" 1
121 1 5 VAL HA 1 5 VAL MG2 3.450 . 3.450 2.430 2.287 3.206 . 0 0 "[ . 1 . 2 .]" 1
122 1 5 VAL HA 1 6 ARG H 3.310 . 3.310 2.163 2.127 2.220 . 0 0 "[ . 1 . 2 .]" 1
123 1 5 VAL HA 1 6 ARG QB 4.690 . 4.690 4.361 4.164 4.507 . 0 0 "[ . 1 . 2 .]" 1
124 1 5 VAL HA 1 66 ILE MD 4.110 . 4.110 3.507 3.243 3.748 . 0 0 "[ . 1 . 2 .]" 1
125 1 5 VAL HA 1 66 ILE MG 4.410 . 4.410 4.484 4.328 4.572 0.162 17 0 "[ . 1 . 2 .]" 1
126 1 5 VAL HA 1 67 VAL H 4.800 . 4.800 2.710 2.360 3.231 . 0 0 "[ . 1 . 2 .]" 1
127 1 5 VAL HB 1 13 PHE QD 5.500 . 5.500 4.879 3.376 5.659 0.159 16 0 "[ . 1 . 2 .]" 1
128 1 5 VAL HB 1 13 PHE QE 5.500 . 5.500 4.454 2.729 5.285 . 0 0 "[ . 1 . 2 .]" 1
129 1 5 VAL HB 1 15 VAL MG2 4.190 . 4.190 3.157 2.070 4.189 . 0 0 "[ . 1 . 2 .]" 1
130 1 5 VAL HB 1 67 VAL QG 4.580 . 4.580 3.812 2.923 4.657 0.077 7 0 "[ . 1 . 2 .]" 1
131 1 5 VAL HB 1 69 ILE MD 4.940 . 4.940 3.930 2.135 4.320 . 0 0 "[ . 1 . 2 .]" 1
132 1 5 VAL QG 1 6 ARG H 3.510 . 3.510 2.539 2.246 3.307 . 0 0 "[ . 1 . 2 .]" 1
133 1 5 VAL QG 1 6 ARG QG 4.370 . 4.370 4.162 3.759 4.487 0.117 12 0 "[ . 1 . 2 .]" 1
134 1 5 VAL QG 1 7 PHE QD 4.580 . 4.580 3.992 3.478 4.594 0.014 3 0 "[ . 1 . 2 .]" 1
135 1 5 VAL QG 1 13 PHE H 4.300 . 4.300 3.495 2.893 4.208 . 0 0 "[ . 1 . 2 .]" 1
136 1 5 VAL QG 1 13 PHE QD 3.890 . 3.890 3.340 2.760 3.968 0.078 13 0 "[ . 1 . 2 .]" 1
137 1 5 VAL QG 1 13 PHE QE 4.210 . 4.210 2.781 2.373 3.407 . 0 0 "[ . 1 . 2 .]" 1
138 1 5 VAL QG 1 13 PHE HZ 4.160 . 4.160 3.127 2.756 3.943 . 0 0 "[ . 1 . 2 .]" 1
139 1 5 VAL QG 1 15 VAL HB 3.570 . 3.570 2.876 2.562 3.295 . 0 0 "[ . 1 . 2 .]" 1
140 1 5 VAL QG 1 15 VAL MG2 2.850 . 2.850 2.043 1.800 2.555 . 0 0 "[ . 1 . 2 .]" 1
141 1 5 VAL QG 1 17 VAL MG1 4.940 . 4.940 4.788 4.204 5.088 0.148 18 0 "[ . 1 . 2 .]" 1
142 1 5 VAL QG 1 30 VAL HB 5.360 . 5.360 4.127 3.779 4.942 . 0 0 "[ . 1 . 2 .]" 1
143 1 5 VAL QG 1 30 VAL QG 3.250 . 3.250 2.155 1.905 2.748 . 0 0 "[ . 1 . 2 .]" 1
144 1 5 VAL QG 1 67 VAL HB 4.160 . 4.160 2.009 1.802 2.500 . 0 0 "[ . 1 . 2 .]" 1
145 1 5 VAL QG 1 67 VAL QG 3.370 . 3.370 2.412 2.040 2.853 . 0 0 "[ . 1 . 2 .]" 1
146 1 5 VAL QG 1 69 ILE HB 3.970 . 3.970 3.084 2.566 4.066 0.096 3 0 "[ . 1 . 2 .]" 1
147 1 5 VAL QG 1 69 ILE MD 3.790 . 3.790 1.979 1.882 2.137 . 0 0 "[ . 1 . 2 .]" 1
148 1 5 VAL QG 1 69 ILE MG 5.420 . 5.420 3.757 3.489 4.151 . 0 0 "[ . 1 . 2 .]" 1
149 1 5 VAL MG1 1 6 ARG H 4.140 . 4.140 3.324 2.364 4.040 . 0 0 "[ . 1 . 2 .]" 1
150 1 5 VAL MG1 1 6 ARG QG 5.040 . 5.040 4.727 3.977 5.246 0.206 3 0 "[ . 1 . 2 .]" 1
151 1 5 VAL MG1 1 15 VAL HB 4.560 . 4.560 3.697 2.643 4.725 0.165 19 0 "[ . 1 . 2 .]" 1
152 1 5 VAL MG1 1 15 VAL MG2 3.850 . 3.850 2.406 1.806 3.182 . 0 0 "[ . 1 . 2 .]" 1
153 1 5 VAL MG1 1 67 VAL HB 5.500 . 5.500 3.418 1.871 4.639 . 0 0 "[ . 1 . 2 .]" 1
154 1 5 VAL MG2 1 6 ARG H 4.140 . 4.140 3.128 2.268 3.966 . 0 0 "[ . 1 . 2 .]" 1
155 1 5 VAL MG2 1 6 ARG QG 5.040 . 5.040 4.805 3.866 5.336 0.296 24 0 "[ . 1 . 2 .]" 1
156 1 5 VAL MG2 1 15 VAL HB 4.560 . 4.560 3.853 2.574 4.762 0.202 14 0 "[ . 1 . 2 .]" 1
157 1 5 VAL MG2 1 15 VAL MG2 3.850 . 3.850 3.001 1.952 3.867 0.017 4 0 "[ . 1 . 2 .]" 1
158 1 5 VAL MG2 1 67 VAL HB 5.500 . 5.500 2.244 1.833 4.403 . 0 0 "[ . 1 . 2 .]" 1
159 1 6 ARG H 1 66 ILE QG 4.610 . 4.610 2.980 2.618 3.338 . 0 0 "[ . 1 . 2 .]" 1
160 1 6 ARG H 1 66 ILE MG 4.350 . 4.350 4.139 4.010 4.309 . 0 0 "[ . 1 . 2 .]" 1
161 1 6 ARG H 1 67 VAL H 4.430 . 4.430 3.989 3.679 4.394 . 0 0 "[ . 1 . 2 .]" 1
162 1 6 ARG H 1 68 HIS HA 4.760 . 4.760 2.946 2.343 3.428 . 0 0 "[ . 1 . 2 .]" 1
163 1 6 ARG HA 1 66 ILE MD 4.530 . 4.530 3.790 3.253 4.160 . 0 0 "[ . 1 . 2 .]" 1
164 1 6 ARG QB 1 66 ILE MD 4.310 . 4.310 3.440 2.029 3.968 . 0 0 "[ . 1 . 2 .]" 1
165 1 6 ARG QB 1 66 ILE MG 3.960 . 3.960 3.593 3.389 3.852 . 0 0 "[ . 1 . 2 .]" 1
166 1 6 ARG QB 1 68 HIS HA 5.040 . 5.040 2.675 1.899 4.213 . 0 0 "[ . 1 . 2 .]" 1
167 1 6 ARG HB2 1 66 ILE MG 4.580 . 4.580 3.893 3.477 4.666 0.086 9 0 "[ . 1 . 2 .]" 1
168 1 6 ARG HB3 1 66 ILE MG 4.580 . 4.580 4.504 3.591 4.792 0.212 12 0 "[ . 1 . 2 .]" 1
169 1 6 ARG QD 1 66 ILE QG 4.320 . 4.320 3.704 3.316 4.237 . 0 0 "[ . 1 . 2 .]" 1
170 1 6 ARG QD 1 68 HIS HD2 4.490 . 4.490 3.498 2.376 4.636 0.146 18 0 "[ . 1 . 2 .]" 1
171 1 6 ARG QG 1 66 ILE MD 4.740 . 4.740 2.013 1.800 2.753 . 0 0 "[ . 1 . 2 .]" 1
172 1 6 ARG QG 1 66 ILE QG 3.570 . 3.570 2.349 2.099 2.790 . 0 0 "[ . 1 . 2 .]" 1
173 1 6 ARG QG 1 68 HIS HD2 4.340 . 4.340 3.556 2.399 4.378 0.038 14 0 "[ . 1 . 2 .]" 1
174 1 7 PHE H 1 7 PHE HB2 4.020 . 4.020 2.778 2.394 3.194 . 0 0 "[ . 1 . 2 .]" 1
175 1 7 PHE H 1 7 PHE QB 3.400 . 3.400 2.403 2.239 2.654 . 0 0 "[ . 1 . 2 .]" 1
176 1 7 PHE H 1 7 PHE HB3 4.020 . 4.020 2.642 2.510 2.884 . 0 0 "[ . 1 . 2 .]" 1
177 1 7 PHE HA 1 7 PHE QD 3.940 . 3.940 2.762 2.449 2.931 . 0 0 "[ . 1 . 2 .]" 1
178 1 7 PHE HA 1 8 ASN H 3.560 . 3.560 2.200 2.077 2.312 . 0 0 "[ . 1 . 2 .]" 1
179 1 7 PHE HA 1 69 ILE HB 4.000 . 4.000 2.701 2.310 3.062 . 0 0 "[ . 1 . 2 .]" 1
180 1 7 PHE QB 1 13 PHE QE 3.880 . 3.880 2.230 1.921 3.067 . 0 0 "[ . 1 . 2 .]" 1
181 1 7 PHE QB 1 30 VAL QG 4.560 . 4.560 3.268 2.691 4.019 . 0 0 "[ . 1 . 2 .]" 1
182 1 7 PHE QB 1 69 ILE MD 4.450 . 4.450 4.345 3.770 4.530 0.080 13 0 "[ . 1 . 2 .]" 1
183 1 7 PHE HB2 1 13 PHE QE 4.460 . 4.460 2.506 1.949 3.725 . 0 0 "[ . 1 . 2 .]" 1
184 1 7 PHE HB3 1 13 PHE QE 4.460 . 4.460 2.643 2.101 4.470 0.010 8 0 "[ . 1 . 2 .]" 1
185 1 7 PHE QD 1 30 VAL QG 3.660 . 3.660 2.682 2.201 3.439 . 0 0 "[ . 1 . 2 .]" 1
186 1 7 PHE QD 1 41 LEU MD1 4.090 . 4.090 3.402 3.005 3.761 . 0 0 "[ . 1 . 2 .]" 1
187 1 7 PHE QD 1 41 LEU MD2 5.020 . 5.020 3.998 3.419 4.713 . 0 0 "[ . 1 . 2 .]" 1
188 1 7 PHE QD 1 69 ILE HB 3.800 . 3.800 2.591 2.234 2.930 . 0 0 "[ . 1 . 2 .]" 1
189 1 7 PHE QD 1 69 ILE MD 4.250 . 4.250 3.517 3.185 3.675 . 0 0 "[ . 1 . 2 .]" 1
190 1 7 PHE QD 1 69 ILE MG 3.460 . 3.460 2.499 2.144 2.980 . 0 0 "[ . 1 . 2 .]" 1
191 1 7 PHE QE 1 41 LEU MD1 3.590 . 3.590 1.932 1.826 2.270 . 0 0 "[ . 1 . 2 .]" 1
192 1 7 PHE QE 1 69 ILE MD 4.580 . 4.580 4.524 3.797 4.647 0.067 7 0 "[ . 1 . 2 .]" 1
193 1 7 PHE QE 1 69 ILE MG 3.770 . 3.770 2.649 2.347 2.997 . 0 0 "[ . 1 . 2 .]" 1
194 1 7 PHE HZ 1 36 VAL MG1 3.840 . 3.840 2.312 1.874 3.098 . 0 0 "[ . 1 . 2 .]" 1
195 1 7 PHE HZ 1 36 VAL MG2 3.630 . 3.630 2.530 2.058 3.526 . 0 0 "[ . 1 . 2 .]" 1
196 1 7 PHE HZ 1 41 LEU MD1 3.570 . 3.570 3.132 2.315 3.605 0.035 6 0 "[ . 1 . 2 .]" 1
197 1 7 PHE HZ 1 41 LEU MD2 5.460 . 5.460 4.622 3.908 5.296 . 0 0 "[ . 1 . 2 .]" 1
198 1 7 PHE HZ 1 71 GLN H 4.490 . 4.490 4.487 3.753 4.628 0.138 15 0 "[ . 1 . 2 .]" 1
199 1 7 PHE HZ 1 71 GLN QB 4.300 . 4.300 2.483 2.066 3.012 . 0 0 "[ . 1 . 2 .]" 1
200 1 7 PHE HZ 1 71 GLN QG 4.530 . 4.530 3.599 2.379 4.565 0.035 21 0 "[ . 1 . 2 .]" 1
201 1 8 ASN H 1 70 VAL QG 4.500 . 4.500 3.670 2.959 4.187 . 0 0 "[ . 1 . 2 .]" 1
202 1 8 ASN HA 1 70 VAL QG 4.050 . 4.050 3.273 2.223 4.215 0.165 22 0 "[ . 1 . 2 .]" 1
203 1 11 HIS HA 1 11 HIS HD2 4.600 . 4.600 3.686 2.392 4.743 0.143 15 0 "[ . 1 . 2 .]" 1
204 1 13 PHE H 1 13 PHE QD 4.390 . 4.390 2.706 2.189 3.186 . 0 0 "[ . 1 . 2 .]" 1
205 1 13 PHE HA 1 13 PHE QD 4.180 . 4.180 3.733 3.715 3.755 . 0 0 "[ . 1 . 2 .]" 1
206 1 13 PHE HA 1 14 PRO HD2 3.220 . 3.220 2.664 2.358 3.182 . 0 0 "[ . 1 . 2 .]" 1
207 1 13 PHE HA 1 14 PRO HD3 3.270 . 3.270 2.082 1.849 2.294 . 0 0 "[ . 1 . 2 .]" 1
208 1 13 PHE QB 1 14 PRO HD2 3.380 . 3.380 2.333 2.159 2.588 . 0 0 "[ . 1 . 2 .]" 1
209 1 13 PHE QB 1 14 PRO HD3 3.970 . 3.970 3.210 2.660 3.482 . 0 0 "[ . 1 . 2 .]" 1
210 1 13 PHE HB2 1 14 PRO HD2 4.060 . 4.060 2.365 2.179 2.623 . 0 0 "[ . 1 . 2 .]" 1
211 1 13 PHE HB3 1 14 PRO HD2 4.060 . 4.060 3.588 3.312 4.059 . 0 0 "[ . 1 . 2 .]" 1
212 1 13 PHE QD 1 14 PRO HD2 4.220 . 4.220 3.885 3.249 4.224 0.004 19 0 "[ . 1 . 2 .]" 1
213 1 13 PHE QD 1 14 PRO HD3 4.920 . 4.920 4.814 4.254 4.995 0.075 19 0 "[ . 1 . 2 .]" 1
214 1 13 PHE QD 1 15 VAL MG2 3.160 . 3.160 2.428 2.020 3.228 0.068 8 0 "[ . 1 . 2 .]" 1
215 1 13 PHE QE 1 15 VAL MG2 3.470 . 3.470 2.279 2.098 2.460 . 0 0 "[ . 1 . 2 .]" 1
216 1 13 PHE QE 1 30 VAL MG1 4.300 . 4.300 2.896 2.351 3.705 . 0 0 "[ . 1 . 2 .]" 1
217 1 13 PHE QE 1 30 VAL QG 3.530 . 3.530 2.700 2.197 3.355 . 0 0 "[ . 1 . 2 .]" 1
218 1 13 PHE QE 1 30 VAL MG2 4.300 . 4.300 3.287 2.449 4.085 . 0 0 "[ . 1 . 2 .]" 1
219 1 13 PHE QE 1 33 ARG QD 4.690 . 4.690 3.074 2.148 4.113 . 0 0 "[ . 1 . 2 .]" 1
220 1 13 PHE HZ 1 30 VAL HA 5.220 . 5.220 4.510 3.549 5.244 0.024 14 0 "[ . 1 . 2 .]" 1
221 1 13 PHE HZ 1 30 VAL MG1 4.510 . 4.510 2.311 1.972 3.123 . 0 0 "[ . 1 . 2 .]" 1
222 1 13 PHE HZ 1 30 VAL QG 3.450 . 3.450 2.291 1.956 3.053 . 0 0 "[ . 1 . 2 .]" 1
223 1 13 PHE HZ 1 30 VAL MG2 4.510 . 4.510 3.887 3.272 4.525 0.015 6 0 "[ . 1 . 2 .]" 1
224 1 13 PHE HZ 1 33 ARG QD 5.070 . 5.070 4.241 3.033 5.159 0.089 16 0 "[ . 1 . 2 .]" 1
225 1 14 PRO QB 1 15 VAL H 3.970 . 3.970 3.299 3.012 3.577 . 0 0 "[ . 1 . 2 .]" 1
226 1 14 PRO HB2 1 15 VAL H 4.580 . 4.580 3.528 3.150 3.833 . 0 0 "[ . 1 . 2 .]" 1
227 1 14 PRO HB3 1 15 VAL H 4.580 . 4.580 3.990 3.700 4.282 . 0 0 "[ . 1 . 2 .]" 1
228 1 15 VAL H 1 15 VAL HB 3.710 . 3.710 2.612 2.476 2.745 . 0 0 "[ . 1 . 2 .]" 1
229 1 15 VAL H 1 15 VAL MG2 3.710 . 3.710 2.766 2.477 3.074 . 0 0 "[ . 1 . 2 .]" 1
230 1 15 VAL HA 1 15 VAL MG1 3.690 . 3.690 2.452 2.365 2.531 . 0 0 "[ . 1 . 2 .]" 1
231 1 15 VAL HA 1 15 VAL MG2 3.420 . 3.420 2.353 2.287 2.454 . 0 0 "[ . 1 . 2 .]" 1
232 1 15 VAL HA 1 16 GLU H 2.910 . 2.910 2.127 2.077 2.157 . 0 0 "[ . 1 . 2 .]" 1
233 1 15 VAL HB 1 16 GLU H 4.390 . 4.390 4.276 4.158 4.370 . 0 0 "[ . 1 . 2 .]" 1
234 1 15 VAL MG1 1 16 GLU H 3.300 . 3.300 2.785 2.600 2.896 . 0 0 "[ . 1 . 2 .]" 1
235 1 15 VAL MG1 1 17 VAL MG1 3.380 . 3.380 2.048 1.845 2.310 . 0 0 "[ . 1 . 2 .]" 1
236 1 15 VAL MG2 1 30 VAL QG 3.220 . 3.220 2.292 2.000 2.852 . 0 0 "[ . 1 . 2 .]" 1
237 1 16 GLU H 1 16 GLU HB2 3.450 . 3.450 2.594 2.294 2.790 . 0 0 "[ . 1 . 2 .]" 1
238 1 16 GLU H 1 16 GLU QB 3.020 . 3.020 2.274 2.212 2.328 . 0 0 "[ . 1 . 2 .]" 1
239 1 16 GLU H 1 16 GLU HB3 3.450 . 3.450 2.595 2.408 3.570 0.120 21 0 "[ . 1 . 2 .]" 1
240 1 16 GLU H 1 16 GLU QG 4.070 . 4.070 3.916 2.609 4.000 . 0 0 "[ . 1 . 2 .]" 1
241 1 16 GLU H 1 17 VAL MG1 4.330 . 4.330 4.166 3.995 4.385 0.055 25 0 "[ . 1 . 2 .]" 1
242 1 16 GLU HA 1 16 GLU QG 3.480 . 3.480 2.440 2.352 2.521 . 0 0 "[ . 1 . 2 .]" 1
243 1 16 GLU HA 1 17 VAL H 2.940 . 2.940 2.131 2.074 2.183 . 0 0 "[ . 1 . 2 .]" 1
244 1 16 GLU HA 1 17 VAL MG1 4.210 . 4.210 3.828 3.526 4.081 . 0 0 "[ . 1 . 2 .]" 1
245 1 16 GLU HA 1 17 VAL MG2 4.530 . 4.530 3.685 3.535 3.910 . 0 0 "[ . 1 . 2 .]" 1
246 1 16 GLU QB 1 17 VAL H 4.140 . 4.140 3.787 3.261 3.959 . 0 0 "[ . 1 . 2 .]" 1
247 1 16 GLU QG 1 17 VAL H 3.740 . 3.740 3.181 2.600 3.959 0.219 21 0 "[ . 1 . 2 .]" 1
248 1 17 VAL H 1 17 VAL MG1 3.200 . 3.200 2.937 2.678 3.203 0.003 19 0 "[ . 1 . 2 .]" 1
249 1 17 VAL H 1 17 VAL MG2 3.790 . 3.790 2.147 2.004 2.252 . 0 0 "[ . 1 . 2 .]" 1
250 1 17 VAL HA 1 17 VAL MG1 3.540 . 3.540 2.341 2.272 2.432 . 0 0 "[ . 1 . 2 .]" 1
251 1 17 VAL HA 1 17 VAL MG2 3.220 . 3.220 3.214 3.207 3.218 . 0 0 "[ . 1 . 2 .]" 1
252 1 17 VAL HA 1 18 ASP H 3.260 . 3.260 2.501 2.319 2.653 . 0 0 "[ . 1 . 2 .]" 1
253 1 17 VAL HA 1 21 THR MG 4.090 . 4.090 3.923 3.391 4.185 0.095 9 0 "[ . 1 . 2 .]" 1
254 1 17 VAL HB 1 18 ASP H 3.300 . 3.300 2.157 1.859 2.509 . 0 0 "[ . 1 . 2 .]" 1
255 1 17 VAL HB 1 21 THR HA 5.270 . 5.270 4.944 4.672 5.300 0.030 16 0 "[ . 1 . 2 .]" 1
256 1 17 VAL HB 1 21 THR HB 3.920 . 3.920 2.618 2.243 3.062 . 0 0 "[ . 1 . 2 .]" 1
257 1 17 VAL HB 1 21 THR MG 3.500 . 3.500 2.401 2.158 2.599 . 0 0 "[ . 1 . 2 .]" 1
258 1 17 VAL HB 1 56 VAL MG1 4.260 . 4.260 2.986 2.170 3.682 . 0 0 "[ . 1 . 2 .]" 1
259 1 17 VAL MG1 1 18 ASP H 4.290 . 4.290 3.554 3.383 3.749 . 0 0 "[ . 1 . 2 .]" 1
260 1 17 VAL MG1 1 21 THR HB 4.230 . 4.230 3.749 3.477 3.980 . 0 0 "[ . 1 . 2 .]" 1
261 1 17 VAL MG1 1 21 THR MG 3.800 . 3.800 2.452 2.175 2.891 . 0 0 "[ . 1 . 2 .]" 1
262 1 17 VAL MG1 1 29 VAL MG1 4.390 . 4.390 3.171 2.120 4.190 . 0 0 "[ . 1 . 2 .]" 1
263 1 17 VAL MG1 1 29 VAL MG2 4.420 . 4.420 3.264 2.142 4.290 . 0 0 "[ . 1 . 2 .]" 1
264 1 17 VAL MG1 1 56 VAL MG1 3.740 . 3.740 3.351 2.587 3.794 0.054 9 0 "[ . 1 . 2 .]" 1
265 1 17 VAL MG2 1 18 ASP H 3.900 . 3.900 3.220 3.014 3.465 . 0 0 "[ . 1 . 2 .]" 1
266 1 17 VAL MG2 1 21 THR H 4.590 . 4.590 4.537 4.179 4.671 0.081 7 0 "[ . 1 . 2 .]" 1
267 1 17 VAL MG2 1 21 THR MG 3.720 . 3.720 3.373 2.743 3.784 0.064 7 0 "[ . 1 . 2 .]" 1
268 1 17 VAL MG2 1 56 VAL MG1 3.200 . 3.200 2.034 1.929 2.171 . 0 0 "[ . 1 . 2 .]" 1
269 1 18 ASP H 1 18 ASP HB2 3.990 . 3.990 2.519 2.253 2.871 . 0 0 "[ . 1 . 2 .]" 1
270 1 18 ASP H 1 18 ASP QB 3.410 . 3.410 2.376 2.229 2.468 . 0 0 "[ . 1 . 2 .]" 1
271 1 18 ASP H 1 18 ASP HB3 3.990 . 3.990 3.321 2.369 3.682 . 0 0 "[ . 1 . 2 .]" 1
272 1 18 ASP H 1 21 THR HB 4.120 . 4.120 3.233 2.623 4.081 . 0 0 "[ . 1 . 2 .]" 1
273 1 18 ASP H 1 21 THR MG 4.250 . 4.250 3.365 3.167 3.529 . 0 0 "[ . 1 . 2 .]" 1
274 1 18 ASP QB 1 20 ASP H 3.540 . 3.540 2.496 2.143 2.977 . 0 0 "[ . 1 . 2 .]" 1
275 1 18 ASP QB 1 21 THR H 4.430 . 4.430 3.198 2.679 4.266 . 0 0 "[ . 1 . 2 .]" 1
276 1 18 ASP QB 1 21 THR HA 4.130 . 4.130 3.868 3.559 4.193 0.063 15 0 "[ . 1 . 2 .]" 1
277 1 18 ASP HB2 1 20 ASP H 4.050 . 4.050 3.318 2.486 4.163 0.113 7 0 "[ . 1 . 2 .]" 1
278 1 18 ASP HB3 1 20 ASP H 4.050 . 4.050 2.612 2.273 3.049 . 0 0 "[ . 1 . 2 .]" 1
279 1 19 SER HA 1 20 ASP HA 4.570 . 4.570 4.535 4.418 4.620 0.050 18 0 "[ . 1 . 2 .]" 1
280 1 19 SER HA 1 57 GLN H 4.690 . 4.690 4.118 3.296 4.796 0.106 10 0 "[ . 1 . 2 .]" 1
281 1 19 SER HA 1 57 GLN QB 3.960 . 3.960 2.310 1.862 2.996 . 0 0 "[ . 1 . 2 .]" 1
282 1 19 SER QB 1 20 ASP H 3.840 . 3.840 3.310 2.638 3.834 . 0 0 "[ . 1 . 2 .]" 1
283 1 19 SER QB 1 57 GLN HB2 4.320 . 4.320 3.167 2.346 3.737 . 0 0 "[ . 1 . 2 .]" 1
284 1 19 SER QB 1 57 GLN QB 3.610 . 3.610 2.960 2.294 3.534 . 0 0 "[ . 1 . 2 .]" 1
285 1 19 SER QB 1 57 GLN HB3 4.320 . 4.320 3.695 2.372 4.354 0.034 17 0 "[ . 1 . 2 .]" 1
286 1 19 SER QB 1 57 GLN QG 4.210 . 4.210 3.047 1.938 4.245 0.035 24 0 "[ . 1 . 2 .]" 1
287 1 20 ASP H 1 20 ASP HB2 3.800 . 3.800 2.689 2.381 3.764 . 0 0 "[ . 1 . 2 .]" 1
288 1 20 ASP H 1 20 ASP HB3 3.800 . 3.800 3.406 2.603 3.790 . 0 0 "[ . 1 . 2 .]" 1
289 1 20 ASP H 1 21 THR H 3.300 . 3.300 2.553 1.959 3.493 0.193 15 0 "[ . 1 . 2 .]" 1
290 1 20 ASP HA 1 21 THR HA 4.770 . 4.770 4.651 4.357 4.791 0.021 20 0 "[ . 1 . 2 .]" 1
291 1 20 ASP HA 1 55 THR HB 4.140 . 4.140 3.214 2.271 3.776 . 0 0 "[ . 1 . 2 .]" 1
292 1 20 ASP HA 1 55 THR MG 4.340 . 4.340 3.754 2.158 4.445 0.105 11 0 "[ . 1 . 2 .]" 1
293 1 20 ASP HA 1 57 GLN H 4.850 . 4.850 4.678 3.718 5.035 0.185 8 0 "[ . 1 . 2 .]" 1
294 1 21 THR H 1 21 THR HB 3.190 . 3.190 2.501 2.389 2.669 . 0 0 "[ . 1 . 2 .]" 1
295 1 21 THR H 1 21 THR MG 4.080 . 4.080 3.777 3.740 3.876 . 0 0 "[ . 1 . 2 .]" 1
296 1 21 THR H 1 22 SER H 4.600 . 4.600 4.355 4.107 4.500 . 0 0 "[ . 1 . 2 .]" 1
297 1 21 THR H 1 56 VAL H 4.070 . 4.070 3.822 2.942 4.111 0.041 16 0 "[ . 1 . 2 .]" 1
298 1 21 THR H 1 56 VAL HB 5.180 . 5.180 5.113 4.346 5.296 0.116 25 0 "[ . 1 . 2 .]" 1
299 1 21 THR H 1 56 VAL MG1 4.070 . 4.070 2.864 2.114 3.053 . 0 0 "[ . 1 . 2 .]" 1
300 1 21 THR HA 1 21 THR MG 3.060 . 3.060 2.420 2.351 2.503 . 0 0 "[ . 1 . 2 .]" 1
301 1 21 THR HA 1 22 SER H 2.930 . 2.930 2.154 2.112 2.210 . 0 0 "[ . 1 . 2 .]" 1
302 1 21 THR HB 1 56 VAL H 4.770 . 4.770 3.770 3.409 4.010 . 0 0 "[ . 1 . 2 .]" 1
303 1 21 THR HB 1 56 VAL MG1 3.400 . 3.400 2.039 1.837 2.280 . 0 0 "[ . 1 . 2 .]" 1
304 1 21 THR MG 1 22 SER H 3.450 . 3.450 3.036 2.696 3.335 . 0 0 "[ . 1 . 2 .]" 1
305 1 21 THR MG 1 25 GLN H 4.330 . 4.330 4.114 3.849 4.354 0.024 12 0 "[ . 1 . 2 .]" 1
306 1 21 THR MG 1 25 GLN QB 3.190 . 3.190 2.320 1.969 2.607 . 0 0 "[ . 1 . 2 .]" 1
307 1 21 THR MG 1 25 GLN QG 4.460 . 4.460 3.830 3.359 4.312 . 0 0 "[ . 1 . 2 .]" 1
308 1 21 THR MG 1 26 LEU H 3.930 . 3.930 2.770 2.552 2.929 . 0 0 "[ . 1 . 2 .]" 1
309 1 21 THR MG 1 26 LEU HA 4.030 . 4.030 2.910 2.413 3.358 . 0 0 "[ . 1 . 2 .]" 1
310 1 21 THR MG 1 26 LEU HB3 4.170 . 4.170 3.601 3.479 3.735 . 0 0 "[ . 1 . 2 .]" 1
311 1 21 THR MG 1 26 LEU MD1 3.590 . 3.590 2.995 2.619 3.363 . 0 0 "[ . 1 . 2 .]" 1
312 1 21 THR MG 1 26 LEU QD 3.050 . 3.050 2.862 2.564 3.110 0.060 24 0 "[ . 1 . 2 .]" 1
313 1 21 THR MG 1 26 LEU MD2 3.590 . 3.590 3.665 3.528 3.768 0.178 13 0 "[ . 1 . 2 .]" 1
314 1 21 THR MG 1 29 VAL MG2 4.290 . 4.290 3.114 2.564 3.642 . 0 0 "[ . 1 . 2 .]" 1
315 1 21 THR MG 1 56 VAL MG1 3.440 . 3.440 2.973 2.654 3.242 . 0 0 "[ . 1 . 2 .]" 1
316 1 22 SER H 1 22 SER QB 3.500 . 3.500 2.498 2.211 2.667 . 0 0 "[ . 1 . 2 .]" 1
317 1 22 SER H 1 25 GLN QG 3.850 . 3.850 3.089 2.489 3.855 0.005 20 0 "[ . 1 . 2 .]" 1
318 1 22 SER HA 1 23 ILE H 3.410 . 3.410 2.314 2.259 2.431 . 0 0 "[ . 1 . 2 .]" 1
319 1 22 SER HA 1 24 PHE H 4.560 . 4.560 4.185 3.968 4.416 . 0 0 "[ . 1 . 2 .]" 1
320 1 22 SER QB 1 23 ILE H 3.770 . 3.770 2.786 2.396 3.502 . 0 0 "[ . 1 . 2 .]" 1
321 1 22 SER QB 1 24 PHE H 4.270 . 4.270 2.824 2.451 3.484 . 0 0 "[ . 1 . 2 .]" 1
322 1 23 ILE H 1 23 ILE HB 3.560 . 3.560 2.602 2.500 2.690 . 0 0 "[ . 1 . 2 .]" 1
323 1 23 ILE H 1 23 ILE MD 4.070 . 4.070 3.049 2.836 3.278 . 0 0 "[ . 1 . 2 .]" 1
324 1 23 ILE H 1 23 ILE HG12 3.990 . 3.990 2.037 1.905 2.188 . 0 0 "[ . 1 . 2 .]" 1
325 1 23 ILE H 1 23 ILE QG 3.360 . 3.360 2.025 1.897 2.171 . 0 0 "[ . 1 . 2 .]" 1
326 1 23 ILE H 1 23 ILE HG13 3.990 . 3.990 3.562 3.485 3.638 . 0 0 "[ . 1 . 2 .]" 1
327 1 23 ILE H 1 23 ILE MG 4.200 . 4.200 3.784 3.770 3.802 . 0 0 "[ . 1 . 2 .]" 1
328 1 23 ILE H 1 24 PHE H 3.820 . 3.820 2.729 2.525 2.877 . 0 0 "[ . 1 . 2 .]" 1
329 1 23 ILE HA 1 23 ILE MD 3.030 . 3.030 2.060 1.996 2.117 . 0 0 "[ . 1 . 2 .]" 1
330 1 23 ILE HA 1 23 ILE QG 3.640 . 3.640 2.970 2.863 3.048 . 0 0 "[ . 1 . 2 .]" 1
331 1 23 ILE HA 1 23 ILE MG 3.360 . 3.360 2.417 2.358 2.491 . 0 0 "[ . 1 . 2 .]" 1
332 1 23 ILE HA 1 26 LEU H 4.020 . 4.020 3.278 3.138 3.450 . 0 0 "[ . 1 . 2 .]" 1
333 1 23 ILE HA 1 26 LEU HB3 3.700 . 3.700 2.314 2.008 2.667 . 0 0 "[ . 1 . 2 .]" 1
334 1 23 ILE HA 1 26 LEU QD 4.140 . 4.140 2.994 2.648 3.408 . 0 0 "[ . 1 . 2 .]" 1
335 1 23 ILE HA 1 56 VAL HB 4.210 . 4.210 3.722 3.421 4.045 . 0 0 "[ . 1 . 2 .]" 1
336 1 23 ILE HB 1 24 PHE H 4.110 . 4.110 2.787 2.582 3.018 . 0 0 "[ . 1 . 2 .]" 1
337 1 23 ILE HB 1 50 LEU QB 4.790 . 4.790 3.666 3.505 3.894 . 0 0 "[ . 1 . 2 .]" 1
338 1 23 ILE HB 1 52 ASN HA 3.590 . 3.590 2.101 1.767 2.719 . 0 0 "[ . 1 . 2 .]" 1
339 1 23 ILE HB 1 54 TRP H 4.500 . 4.500 3.793 3.270 4.466 . 0 0 "[ . 1 . 2 .]" 1
340 1 23 ILE MD 1 26 LEU QD 3.420 . 3.420 2.618 2.285 3.219 . 0 0 "[ . 1 . 2 .]" 1
341 1 23 ILE MD 1 50 LEU MD1 4.130 . 4.130 2.091 1.934 2.187 . 0 0 "[ . 1 . 2 .]" 1
342 1 23 ILE MD 1 50 LEU QD 2.940 . 2.940 2.083 1.924 2.177 . 0 0 "[ . 1 . 2 .]" 1
343 1 23 ILE MD 1 50 LEU MD2 4.130 . 4.130 3.997 3.412 4.187 0.057 22 0 "[ . 1 . 2 .]" 1
344 1 23 ILE MD 1 50 LEU HG 4.440 . 4.440 4.334 3.977 4.494 0.054 19 0 "[ . 1 . 2 .]" 1
345 1 23 ILE MD 1 56 VAL H 4.620 . 4.620 3.738 3.309 4.096 . 0 0 "[ . 1 . 2 .]" 1
346 1 23 ILE MD 1 56 VAL HA 3.360 . 3.360 2.294 1.935 2.717 . 0 0 "[ . 1 . 2 .]" 1
347 1 23 ILE MD 1 56 VAL HB 4.080 . 4.080 2.476 2.239 2.867 . 0 0 "[ . 1 . 2 .]" 1
348 1 23 ILE MD 1 56 VAL MG1 4.180 . 4.180 3.824 3.572 4.130 . 0 0 "[ . 1 . 2 .]" 1
349 1 23 ILE MD 1 61 LEU QD 3.890 . 3.890 2.397 1.996 3.278 . 0 0 "[ . 1 . 2 .]" 1
350 1 23 ILE QG 1 23 ILE MG 3.100 . 3.100 2.292 2.244 2.325 . 0 0 "[ . 1 . 2 .]" 1
351 1 23 ILE QG 1 50 LEU QB 3.910 . 3.910 2.296 1.929 2.593 . 0 0 "[ . 1 . 2 .]" 1
352 1 23 ILE QG 1 50 LEU QD 3.610 . 3.610 2.758 2.334 3.047 . 0 0 "[ . 1 . 2 .]" 1
353 1 23 ILE QG 1 51 ARG HG2 4.020 . 4.020 3.664 3.281 4.179 0.159 5 0 "[ . 1 . 2 .]" 1
354 1 23 ILE QG 1 56 VAL HA 4.500 . 4.500 3.674 3.066 4.054 . 0 0 "[ . 1 . 2 .]" 1
355 1 23 ILE QG 1 56 VAL HB 4.720 . 4.720 4.201 3.436 4.609 . 0 0 "[ . 1 . 2 .]" 1
356 1 23 ILE HG12 1 23 ILE MG 3.590 . 3.590 3.209 3.203 3.216 . 0 0 "[ . 1 . 2 .]" 1
357 1 23 ILE HG13 1 23 ILE MG 3.590 . 3.590 2.347 2.291 2.386 . 0 0 "[ . 1 . 2 .]" 1
358 1 23 ILE MG 1 24 PHE H 4.400 . 4.400 3.613 3.444 3.861 . 0 0 "[ . 1 . 2 .]" 1
359 1 23 ILE MG 1 24 PHE HA 4.100 . 4.100 3.680 3.458 4.033 . 0 0 "[ . 1 . 2 .]" 1
360 1 23 ILE MG 1 50 LEU HB2 4.230 . 4.230 1.926 1.811 2.290 . 0 0 "[ . 1 . 2 .]" 1
361 1 23 ILE MG 1 50 LEU QB 3.490 . 3.490 1.894 1.776 2.269 . 0 0 "[ . 1 . 2 .]" 1
362 1 23 ILE MG 1 50 LEU HB3 4.230 . 4.230 2.927 2.144 3.709 . 0 0 "[ . 1 . 2 .]" 1
363 1 23 ILE MG 1 50 LEU QD 4.090 . 4.090 2.574 2.036 3.052 . 0 0 "[ . 1 . 2 .]" 1
364 1 23 ILE MG 1 50 LEU HG 3.630 . 3.630 3.783 3.459 3.848 0.218 12 0 "[ . 1 . 2 .]" 1
365 1 23 ILE MG 1 52 ASN HA 3.590 . 3.590 2.947 2.366 3.490 . 0 0 "[ . 1 . 2 .]" 1
366 1 23 ILE MG 1 52 ASN QB 4.430 . 4.430 4.015 3.228 4.562 0.132 21 0 "[ . 1 . 2 .]" 1
367 1 24 PHE H 1 24 PHE HB2 3.590 . 3.590 2.457 2.372 2.545 . 0 0 "[ . 1 . 2 .]" 1
368 1 24 PHE H 1 24 PHE HB3 3.590 . 3.590 2.603 2.513 2.694 . 0 0 "[ . 1 . 2 .]" 1
369 1 24 PHE H 1 25 GLN H 3.840 . 3.840 2.687 2.526 2.932 . 0 0 "[ . 1 . 2 .]" 1
370 1 24 PHE H 1 52 ASN HA 3.870 . 3.870 2.872 2.543 3.135 . 0 0 "[ . 1 . 2 .]" 1
371 1 24 PHE H 1 52 ASN QB 4.040 . 4.040 3.427 3.025 3.806 . 0 0 "[ . 1 . 2 .]" 1
372 1 24 PHE HA 1 24 PHE QD 3.530 . 3.530 2.571 2.130 2.735 . 0 0 "[ . 1 . 2 .]" 1
373 1 24 PHE HA 1 24 PHE QE 4.460 . 4.460 4.501 4.372 4.597 0.137 20 0 "[ . 1 . 2 .]" 1
374 1 24 PHE HA 1 27 LYS H 4.170 . 4.170 3.607 3.233 4.059 . 0 0 "[ . 1 . 2 .]" 1
375 1 24 PHE HA 1 27 LYS HB2 3.950 . 3.950 3.455 2.851 4.015 0.065 20 0 "[ . 1 . 2 .]" 1
376 1 24 PHE HA 1 28 GLU QG 5.310 . 5.310 4.682 4.075 5.531 0.221 12 0 "[ . 1 . 2 .]" 1
377 1 24 PHE HA 1 52 ASN QB 4.160 . 4.160 3.041 2.407 3.977 . 0 0 "[ . 1 . 2 .]" 1
378 1 24 PHE QB 1 25 GLN H 3.690 . 3.690 2.432 2.195 2.695 . 0 0 "[ . 1 . 2 .]" 1
379 1 24 PHE QB 1 52 ASN HA 4.250 . 4.250 3.164 2.507 3.468 . 0 0 "[ . 1 . 2 .]" 1
380 1 24 PHE QB 1 52 ASN QB 4.150 . 4.150 1.941 1.824 2.211 . 0 0 "[ . 1 . 2 .]" 1
381 1 24 PHE HB2 1 25 GLN H 4.230 . 4.230 3.746 3.644 3.913 . 0 0 "[ . 1 . 2 .]" 1
382 1 24 PHE HB3 1 25 GLN H 4.230 . 4.230 2.464 2.212 2.746 . 0 0 "[ . 1 . 2 .]" 1
383 1 24 PHE QD 1 25 GLN QG 4.470 . 4.470 3.364 2.166 3.919 . 0 0 "[ . 1 . 2 .]" 1
384 1 24 PHE QD 1 52 ASN QB 3.860 . 3.860 2.368 1.951 3.604 . 0 0 "[ . 1 . 2 .]" 1
385 1 25 GLN H 1 25 GLN QG 3.220 . 3.220 2.258 2.080 2.554 . 0 0 "[ . 1 . 2 .]" 1
386 1 25 GLN H 1 26 LEU H 3.840 . 3.840 2.595 2.504 2.685 . 0 0 "[ . 1 . 2 .]" 1
387 1 25 GLN HA 1 25 GLN QG 3.160 . 3.160 2.748 2.386 3.021 . 0 0 "[ . 1 . 2 .]" 1
388 1 25 GLN HA 1 28 GLU H 3.860 . 3.860 3.319 3.153 3.520 . 0 0 "[ . 1 . 2 .]" 1
389 1 25 GLN HA 1 28 GLU HB2 3.860 . 3.860 2.558 2.336 2.841 . 0 0 "[ . 1 . 2 .]" 1
390 1 25 GLN HA 1 28 GLU HB3 4.180 . 4.180 4.072 2.931 4.387 0.207 18 0 "[ . 1 . 2 .]" 1
391 1 25 GLN HA 1 28 GLU QG 5.340 . 5.340 3.459 3.030 4.175 . 0 0 "[ . 1 . 2 .]" 1
392 1 25 GLN QB 1 26 LEU HB2 4.410 . 4.410 4.199 4.064 4.418 0.008 20 0 "[ . 1 . 2 .]" 1
393 1 25 GLN QB 1 29 VAL MG2 3.350 . 3.350 3.133 2.895 3.330 . 0 0 "[ . 1 . 2 .]" 1
394 1 25 GLN QG 1 26 LEU H 4.240 . 4.240 4.018 3.879 4.234 . 0 0 "[ . 1 . 2 .]" 1
395 1 26 LEU H 1 26 LEU HB2 3.570 . 3.570 2.562 2.494 2.637 . 0 0 "[ . 1 . 2 .]" 1
396 1 26 LEU H 1 26 LEU HB3 3.570 . 3.570 2.435 2.367 2.478 . 0 0 "[ . 1 . 2 .]" 1
397 1 26 LEU H 1 26 LEU MD1 4.890 . 4.890 4.134 4.096 4.176 . 0 0 "[ . 1 . 2 .]" 1
398 1 26 LEU H 1 26 LEU QD 4.200 . 4.200 3.719 3.689 3.749 . 0 0 "[ . 1 . 2 .]" 1
399 1 26 LEU H 1 26 LEU MD2 4.890 . 4.890 4.219 4.180 4.270 . 0 0 "[ . 1 . 2 .]" 1
400 1 26 LEU H 1 27 LYS HB2 5.340 . 5.340 5.055 4.681 5.177 . 0 0 "[ . 1 . 2 .]" 1
401 1 26 LEU HA 1 26 LEU QD 2.930 . 2.930 2.150 2.104 2.223 . 0 0 "[ . 1 . 2 .]" 1
402 1 26 LEU HA 1 29 VAL H 4.150 . 4.150 3.296 3.028 3.438 . 0 0 "[ . 1 . 2 .]" 1
403 1 26 LEU HA 1 29 VAL HB 3.940 . 3.940 2.607 2.338 2.831 . 0 0 "[ . 1 . 2 .]" 1
404 1 26 LEU HA 1 29 VAL MG2 3.600 . 3.600 2.648 2.351 2.782 . 0 0 "[ . 1 . 2 .]" 1
405 1 26 LEU HB2 1 29 VAL MG2 4.540 . 4.540 4.467 4.161 4.605 0.065 4 0 "[ . 1 . 2 .]" 1
406 1 26 LEU HB2 1 56 VAL MG1 3.910 . 3.910 3.916 3.724 4.021 0.111 1 0 "[ . 1 . 2 .]" 1
407 1 26 LEU HB3 1 27 LYS H 3.930 . 3.930 2.555 2.467 2.651 . 0 0 "[ . 1 . 2 .]" 1
408 1 26 LEU QD 1 29 VAL MG1 3.760 . 3.760 3.381 2.848 3.638 . 0 0 "[ . 1 . 2 .]" 1
409 1 26 LEU QD 1 30 VAL H 4.670 . 4.670 3.701 3.296 3.993 . 0 0 "[ . 1 . 2 .]" 1
410 1 26 LEU MD1 1 27 LYS H 4.620 . 4.620 4.348 4.205 4.421 . 0 0 "[ . 1 . 2 .]" 1
411 1 26 LEU MD2 1 27 LYS H 4.620 . 4.620 4.234 4.027 4.397 . 0 0 "[ . 1 . 2 .]" 1
412 1 26 LEU HG 1 27 LYS HA 4.330 . 4.330 3.675 3.419 3.825 . 0 0 "[ . 1 . 2 .]" 1
413 1 26 LEU HG 1 29 VAL HB 5.070 . 5.070 4.597 4.183 4.851 . 0 0 "[ . 1 . 2 .]" 1
414 1 27 LYS H 1 27 LYS HB2 3.770 . 3.770 2.466 2.264 2.570 . 0 0 "[ . 1 . 2 .]" 1
415 1 27 LYS H 1 27 LYS QD 5.190 . 5.190 4.531 3.922 4.682 . 0 0 "[ . 1 . 2 .]" 1
416 1 27 LYS H 1 27 LYS HG2 4.770 . 4.770 4.472 4.407 4.604 . 0 0 "[ . 1 . 2 .]" 1
417 1 27 LYS H 1 27 LYS QG 4.110 . 4.110 3.966 3.942 4.035 . 0 0 "[ . 1 . 2 .]" 1
418 1 27 LYS H 1 27 LYS HG3 4.770 . 4.770 4.433 4.391 4.496 . 0 0 "[ . 1 . 2 .]" 1
419 1 27 LYS H 1 28 GLU H 3.780 . 3.780 2.711 2.608 2.768 . 0 0 "[ . 1 . 2 .]" 1
420 1 27 LYS HA 1 27 LYS QG 3.270 . 3.270 2.489 2.384 2.802 . 0 0 "[ . 1 . 2 .]" 1
421 1 27 LYS HA 1 30 VAL H 3.910 . 3.910 3.783 3.534 4.000 0.090 18 0 "[ . 1 . 2 .]" 1
422 1 27 LYS HA 1 30 VAL HB 4.520 . 4.520 3.345 2.971 3.766 . 0 0 "[ . 1 . 2 .]" 1
423 1 27 LYS HA 1 30 VAL QG 3.790 . 3.790 3.445 3.162 3.776 . 0 0 "[ . 1 . 2 .]" 1
424 1 27 LYS HA 1 31 ALA H 4.480 . 4.480 4.164 3.983 4.345 . 0 0 "[ . 1 . 2 .]" 1
425 1 27 LYS HA 1 41 LEU MD2 3.680 . 3.680 3.277 2.918 3.523 . 0 0 "[ . 1 . 2 .]" 1
426 1 27 LYS HA 1 69 ILE MD 3.980 . 3.980 3.171 2.441 4.004 0.024 6 0 "[ . 1 . 2 .]" 1
427 1 27 LYS HB2 1 28 GLU H 4.150 . 4.150 3.760 3.536 3.849 . 0 0 "[ . 1 . 2 .]" 1
428 1 27 LYS HB3 1 28 GLU H 4.160 . 4.160 2.437 2.299 2.644 . 0 0 "[ . 1 . 2 .]" 1
429 1 27 LYS HB3 1 28 GLU HB2 4.390 . 4.390 4.412 4.077 4.546 0.156 1 0 "[ . 1 . 2 .]" 1
430 1 27 LYS HB3 1 38 ALA MB 4.540 . 4.540 3.969 3.352 4.595 0.055 15 0 "[ . 1 . 2 .]" 1
431 1 27 LYS HB3 1 41 LEU MD2 4.440 . 4.440 4.276 4.078 4.457 0.017 10 0 "[ . 1 . 2 .]" 1
432 1 27 LYS QD 1 41 LEU HB3 4.880 . 4.880 2.850 1.931 4.242 . 0 0 "[ . 1 . 2 .]" 1
433 1 27 LYS QD 1 41 LEU HG 4.670 . 4.670 3.713 2.311 4.742 0.072 24 0 "[ . 1 . 2 .]" 1
434 1 27 LYS QG 1 31 ALA MB 3.720 . 3.720 3.270 2.872 3.578 . 0 0 "[ . 1 . 2 .]" 1
435 1 27 LYS QG 1 38 ALA MB 3.360 . 3.360 2.677 2.086 3.324 . 0 0 "[ . 1 . 2 .]" 1
436 1 27 LYS QG 1 41 LEU H 5.340 . 5.340 4.811 4.446 5.370 0.030 3 0 "[ . 1 . 2 .]" 1
437 1 27 LYS QG 1 41 LEU HB3 3.610 . 3.610 2.817 2.450 3.316 . 0 0 "[ . 1 . 2 .]" 1
438 1 27 LYS QG 1 41 LEU HG 3.940 . 3.940 3.070 2.603 3.981 0.041 18 0 "[ . 1 . 2 .]" 1
439 1 28 GLU H 1 28 GLU HB2 3.590 . 3.590 2.257 2.016 2.382 . 0 0 "[ . 1 . 2 .]" 1
440 1 28 GLU H 1 28 GLU HB3 3.500 . 3.500 3.490 3.013 3.567 0.067 19 0 "[ . 1 . 2 .]" 1
441 1 28 GLU H 1 28 GLU HG2 4.160 . 4.160 3.445 2.661 4.058 . 0 0 "[ . 1 . 2 .]" 1
442 1 28 GLU H 1 28 GLU HG3 4.160 . 4.160 2.960 2.222 4.193 0.033 12 0 "[ . 1 . 2 .]" 1
443 1 28 GLU H 1 38 ALA MB 4.640 . 4.640 4.096 3.784 4.425 . 0 0 "[ . 1 . 2 .]" 1
444 1 28 GLU HA 1 28 GLU HG2 3.710 . 3.710 2.450 2.224 3.643 . 0 0 "[ . 1 . 2 .]" 1
445 1 28 GLU HA 1 28 GLU QG 3.160 . 3.160 2.328 2.202 2.531 . 0 0 "[ . 1 . 2 .]" 1
446 1 28 GLU HA 1 28 GLU HG3 3.710 . 3.710 3.192 2.411 3.677 . 0 0 "[ . 1 . 2 .]" 1
447 1 28 GLU HA 1 31 ALA H 4.260 . 4.260 3.353 3.004 3.594 . 0 0 "[ . 1 . 2 .]" 1
448 1 28 GLU HA 1 31 ALA MB 3.140 . 3.140 2.271 2.046 2.457 . 0 0 "[ . 1 . 2 .]" 1
449 1 28 GLU HA 1 38 ALA MB 3.320 . 3.320 2.459 2.125 2.728 . 0 0 "[ . 1 . 2 .]" 1
450 1 28 GLU HB2 1 29 VAL H 4.280 . 4.280 2.859 2.474 3.286 . 0 0 "[ . 1 . 2 .]" 1
451 1 28 GLU HB3 1 29 VAL H 3.860 . 3.860 3.491 2.651 3.816 . 0 0 "[ . 1 . 2 .]" 1
452 1 28 GLU HB3 1 38 ALA MB 4.320 . 4.320 4.060 3.183 4.451 0.131 22 0 "[ . 1 . 2 .]" 1
453 1 28 GLU QG 1 31 ALA MB 4.120 . 4.120 3.767 3.275 4.068 . 0 0 "[ . 1 . 2 .]" 1
454 1 28 GLU QG 1 38 ALA MB 3.290 . 3.290 2.438 1.864 2.978 . 0 0 "[ . 1 . 2 .]" 1
455 1 28 GLU HG2 1 38 ALA MB 3.820 . 3.820 2.545 1.874 3.663 . 0 0 "[ . 1 . 2 .]" 1
456 1 28 GLU HG3 1 38 ALA MB 3.820 . 3.820 3.483 2.365 4.078 0.258 14 0 "[ . 1 . 2 .]" 1
457 1 29 VAL H 1 29 VAL HB 3.390 . 3.390 2.533 2.460 2.608 . 0 0 "[ . 1 . 2 .]" 1
458 1 29 VAL H 1 29 VAL MG1 4.200 . 4.200 3.784 3.771 3.801 . 0 0 "[ . 1 . 2 .]" 1
459 1 29 VAL H 1 29 VAL MG2 2.860 . 2.860 2.168 2.031 2.305 . 0 0 "[ . 1 . 2 .]" 1
460 1 29 VAL H 1 32 LYS H 5.310 . 5.310 4.699 4.509 4.895 . 0 0 "[ . 1 . 2 .]" 1
461 1 29 VAL HA 1 29 VAL MG1 3.130 . 3.130 2.454 2.402 2.490 . 0 0 "[ . 1 . 2 .]" 1
462 1 29 VAL HA 1 29 VAL MG2 2.880 . 2.880 2.354 2.324 2.406 . 0 0 "[ . 1 . 2 .]" 1
463 1 29 VAL HA 1 30 VAL HA 4.840 . 4.840 4.734 4.690 4.782 . 0 0 "[ . 1 . 2 .]" 1
464 1 29 VAL HA 1 31 ALA H 5.250 . 5.250 4.484 4.346 4.680 . 0 0 "[ . 1 . 2 .]" 1
465 1 29 VAL HA 1 32 LYS H 4.240 . 4.240 3.700 3.398 4.031 . 0 0 "[ . 1 . 2 .]" 1
466 1 29 VAL HA 1 32 LYS QB 4.320 . 4.320 3.590 2.519 4.408 0.088 4 0 "[ . 1 . 2 .]" 1
467 1 29 VAL HA 1 32 LYS QD 4.230 . 4.230 3.207 2.062 3.856 . 0 0 "[ . 1 . 2 .]" 1
468 1 29 VAL HB 1 30 VAL H 3.550 . 3.550 2.480 2.355 2.592 . 0 0 "[ . 1 . 2 .]" 1
469 1 29 VAL HB 1 30 VAL HB 4.890 . 4.890 4.862 4.732 4.921 0.031 22 0 "[ . 1 . 2 .]" 1
470 1 29 VAL HB 1 30 VAL QG 4.160 . 4.160 3.076 2.934 3.242 . 0 0 "[ . 1 . 2 .]" 1
471 1 29 VAL MG1 1 30 VAL H 3.580 . 3.580 3.221 3.103 3.481 . 0 0 "[ . 1 . 2 .]" 1
472 1 29 VAL MG1 1 30 VAL HA 4.060 . 4.060 3.276 3.190 3.515 . 0 0 "[ . 1 . 2 .]" 1
473 1 29 VAL MG1 1 32 LYS QD 4.500 . 4.500 3.928 2.987 4.535 0.035 8 0 "[ . 1 . 2 .]" 1
474 1 29 VAL MG1 1 33 ARG H 4.440 . 4.440 4.236 3.943 4.432 . 0 0 "[ . 1 . 2 .]" 1
475 1 29 VAL MG1 1 33 ARG HA 5.280 . 5.280 5.179 4.954 5.418 0.138 5 0 "[ . 1 . 2 .]" 1
476 1 29 VAL MG2 1 32 LYS QE 4.510 . 4.510 3.606 2.350 4.581 0.071 25 0 "[ . 1 . 2 .]" 1
477 1 30 VAL H 1 30 VAL HB 3.390 . 3.390 2.553 2.503 2.586 . 0 0 "[ . 1 . 2 .]" 1
478 1 30 VAL H 1 30 VAL MG1 3.970 . 3.970 3.777 3.764 3.792 . 0 0 "[ . 1 . 2 .]" 1
479 1 30 VAL H 1 30 VAL QG 3.010 . 3.010 2.066 2.006 2.126 . 0 0 "[ . 1 . 2 .]" 1
480 1 30 VAL H 1 30 VAL MG2 3.970 . 3.970 2.076 2.014 2.138 . 0 0 "[ . 1 . 2 .]" 1
481 1 30 VAL H 1 31 ALA H 3.280 . 3.280 2.595 2.468 2.685 . 0 0 "[ . 1 . 2 .]" 1
482 1 30 VAL H 1 32 LYS H 4.790 . 4.790 4.286 4.018 4.519 . 0 0 "[ . 1 . 2 .]" 1
483 1 30 VAL H 1 41 LEU MD2 5.230 . 5.230 4.594 4.134 4.943 . 0 0 "[ . 1 . 2 .]" 1
484 1 30 VAL HA 1 30 VAL MG1 3.280 . 3.280 2.401 2.369 2.443 . 0 0 "[ . 1 . 2 .]" 1
485 1 30 VAL HA 1 30 VAL MG2 3.280 . 3.280 2.394 2.360 2.424 . 0 0 "[ . 1 . 2 .]" 1
486 1 30 VAL HA 1 33 ARG H 4.210 . 4.210 3.444 3.280 3.650 . 0 0 "[ . 1 . 2 .]" 1
487 1 30 VAL HA 1 33 ARG QB 3.720 . 3.720 2.506 2.177 2.836 . 0 0 "[ . 1 . 2 .]" 1
488 1 30 VAL HB 1 31 ALA H 3.990 . 3.990 2.649 2.477 2.774 . 0 0 "[ . 1 . 2 .]" 1
489 1 30 VAL HB 1 31 ALA HA 5.410 . 5.410 4.241 4.184 4.296 . 0 0 "[ . 1 . 2 .]" 1
490 1 30 VAL HB 1 41 LEU MD2 4.760 . 4.760 3.059 2.361 3.498 . 0 0 "[ . 1 . 2 .]" 1
491 1 30 VAL HB 1 69 ILE MD 3.900 . 3.900 2.770 2.520 3.127 . 0 0 "[ . 1 . 2 .]" 1
492 1 30 VAL QG 1 33 ARG QB 4.060 . 4.060 3.306 3.036 3.627 . 0 0 "[ . 1 . 2 .]" 1
493 1 30 VAL QG 1 33 ARG QD 4.160 . 4.160 3.615 2.851 4.230 0.070 12 0 "[ . 1 . 2 .]" 1
494 1 30 VAL QG 1 69 ILE MD 3.480 . 3.480 1.855 1.746 2.170 . 0 0 "[ . 1 . 2 .]" 1
495 1 30 VAL MG1 1 31 ALA H 4.270 . 4.270 3.515 3.286 3.617 . 0 0 "[ . 1 . 2 .]" 1
496 1 30 VAL MG1 1 33 ARG QB 4.720 . 4.720 3.491 3.194 3.875 . 0 0 "[ . 1 . 2 .]" 1
497 1 30 VAL MG2 1 31 ALA H 4.270 . 4.270 3.803 3.761 3.845 . 0 0 "[ . 1 . 2 .]" 1
498 1 30 VAL MG2 1 33 ARG QB 4.720 . 4.720 4.098 3.796 4.427 . 0 0 "[ . 1 . 2 .]" 1
499 1 31 ALA H 1 31 ALA MB 2.980 . 2.980 2.224 2.213 2.232 . 0 0 "[ . 1 . 2 .]" 1
500 1 31 ALA H 1 32 LYS H 3.590 . 3.590 2.776 2.631 2.879 . 0 0 "[ . 1 . 2 .]" 1
501 1 31 ALA H 1 38 ALA HA 5.500 . 5.500 5.251 4.912 5.577 0.077 17 0 "[ . 1 . 2 .]" 1
502 1 31 ALA H 1 41 LEU MD2 4.030 . 4.030 3.160 2.898 3.432 . 0 0 "[ . 1 . 2 .]" 1
503 1 31 ALA HA 1 34 GLN H 4.310 . 4.310 3.705 3.458 3.972 . 0 0 "[ . 1 . 2 .]" 1
504 1 31 ALA HA 1 36 VAL H 4.160 . 4.160 3.324 2.821 3.568 . 0 0 "[ . 1 . 2 .]" 1
505 1 31 ALA HA 1 36 VAL HB 5.500 . 5.500 4.668 4.378 4.934 . 0 0 "[ . 1 . 2 .]" 1
506 1 31 ALA HA 1 36 VAL MG1 4.600 . 4.600 4.167 3.941 4.336 . 0 0 "[ . 1 . 2 .]" 1
507 1 31 ALA HA 1 36 VAL MG2 3.130 . 3.130 1.955 1.747 2.135 . 0 0 "[ . 1 . 2 .]" 1
508 1 31 ALA MB 1 32 LYS H 3.270 . 3.270 2.383 2.236 2.571 . 0 0 "[ . 1 . 2 .]" 1
509 1 31 ALA MB 1 32 LYS HA 3.850 . 3.850 3.800 3.723 3.870 0.020 1 0 "[ . 1 . 2 .]" 1
510 1 31 ALA MB 1 33 ARG H 5.310 . 5.310 4.341 4.199 4.620 . 0 0 "[ . 1 . 2 .]" 1
511 1 31 ALA MB 1 36 VAL H 4.520 . 4.520 3.522 3.263 3.758 . 0 0 "[ . 1 . 2 .]" 1
512 1 31 ALA MB 1 36 VAL MG2 3.460 . 3.460 2.407 2.154 2.581 . 0 0 "[ . 1 . 2 .]" 1
513 1 31 ALA MB 1 37 PRO HA 4.590 . 4.590 4.006 3.605 4.467 . 0 0 "[ . 1 . 2 .]" 1
514 1 31 ALA MB 1 38 ALA H 3.780 . 3.780 3.069 2.816 3.320 . 0 0 "[ . 1 . 2 .]" 1
515 1 31 ALA MB 1 38 ALA HA 3.080 . 3.080 2.568 2.237 2.902 . 0 0 "[ . 1 . 2 .]" 1
516 1 31 ALA MB 1 38 ALA MB 3.000 . 3.000 2.034 1.921 2.171 . 0 0 "[ . 1 . 2 .]" 1
517 1 31 ALA MB 1 41 LEU MD2 3.270 . 3.270 1.993 1.809 2.179 . 0 0 "[ . 1 . 2 .]" 1
518 1 31 ALA MB 1 41 LEU HG 4.580 . 4.580 4.536 4.252 4.652 0.072 18 0 "[ . 1 . 2 .]" 1
519 1 32 LYS H 1 32 LYS QB 3.150 . 3.150 2.377 2.141 2.648 . 0 0 "[ . 1 . 2 .]" 1
520 1 32 LYS H 1 32 LYS QD 4.370 . 4.370 4.223 3.568 4.608 0.238 19 0 "[ . 1 . 2 .]" 1
521 1 32 LYS H 1 32 LYS QE 5.260 . 5.260 4.156 3.209 5.314 0.054 20 0 "[ . 1 . 2 .]" 1
522 1 32 LYS H 1 32 LYS HG2 4.830 . 4.830 3.093 2.047 4.432 . 0 0 "[ . 1 . 2 .]" 1
523 1 32 LYS H 1 32 LYS QG 4.130 . 4.130 2.885 2.027 3.941 . 0 0 "[ . 1 . 2 .]" 1
524 1 32 LYS H 1 32 LYS HG3 4.830 . 4.830 3.746 2.945 4.542 . 0 0 "[ . 1 . 2 .]" 1
525 1 32 LYS H 1 33 ARG H 3.710 . 3.710 2.569 2.451 2.647 . 0 0 "[ . 1 . 2 .]" 1
526 1 32 LYS H 1 36 VAL H 5.010 . 5.010 4.836 4.666 4.999 . 0 0 "[ . 1 . 2 .]" 1
527 1 32 LYS HA 1 32 LYS QB 2.780 . 2.780 2.248 2.172 2.391 . 0 0 "[ . 1 . 2 .]" 1
528 1 32 LYS HA 1 32 LYS HG2 3.970 . 3.970 3.483 2.912 3.859 . 0 0 "[ . 1 . 2 .]" 1
529 1 32 LYS HA 1 32 LYS HG3 3.970 . 3.970 3.321 2.621 3.786 . 0 0 "[ . 1 . 2 .]" 1
530 1 32 LYS QB 1 32 LYS QE 3.990 . 3.990 2.551 1.864 3.646 . 0 0 "[ . 1 . 2 .]" 1
531 1 32 LYS QB 1 33 ARG H 3.540 . 3.540 3.118 2.350 3.604 0.064 8 0 "[ . 1 . 2 .]" 1
532 1 32 LYS QD 1 33 ARG H 4.490 . 4.490 4.291 3.848 4.510 0.020 8 0 "[ . 1 . 2 .]" 1
533 1 32 LYS QD 1 33 ARG HA 4.740 . 4.740 4.779 4.149 4.987 0.247 23 0 "[ . 1 . 2 .]" 1
534 1 32 LYS QG 1 33 ARG H 4.190 . 4.190 2.854 2.233 3.888 . 0 0 "[ . 1 . 2 .]" 1
535 1 33 ARG H 1 33 ARG QB 3.500 . 3.500 2.211 2.070 2.468 . 0 0 "[ . 1 . 2 .]" 1
536 1 33 ARG H 1 34 GLN H 3.620 . 3.620 2.638 2.500 2.892 . 0 0 "[ . 1 . 2 .]" 1
537 1 33 ARG HA 1 33 ARG QD 4.450 . 4.450 3.807 2.679 4.269 . 0 0 "[ . 1 . 2 .]" 1
538 1 33 ARG HA 1 33 ARG QG 3.220 . 3.220 2.394 2.285 2.596 . 0 0 "[ . 1 . 2 .]" 1
539 1 33 ARG QB 1 33 ARG HD2 3.870 . 3.870 2.411 2.237 3.262 . 0 0 "[ . 1 . 2 .]" 1
540 1 33 ARG QB 1 33 ARG QD 3.350 . 3.350 2.194 2.086 2.374 . 0 0 "[ . 1 . 2 .]" 1
541 1 33 ARG QB 1 33 ARG HD3 3.870 . 3.870 2.702 2.245 3.303 . 0 0 "[ . 1 . 2 .]" 1
542 1 33 ARG QB 1 34 GLN H 3.800 . 3.800 2.570 2.264 2.865 . 0 0 "[ . 1 . 2 .]" 1
543 1 33 ARG QB 1 34 GLN HG2 4.180 . 4.180 3.098 2.607 4.204 0.024 17 0 "[ . 1 . 2 .]" 1
544 1 33 ARG QB 1 34 GLN QG 3.530 . 3.530 2.730 2.585 2.871 . 0 0 "[ . 1 . 2 .]" 1
545 1 33 ARG QB 1 34 GLN HG3 4.180 . 4.180 3.911 2.763 4.360 0.180 25 0 "[ . 1 . 2 .]" 1
546 1 33 ARG QD 1 34 GLN QG 4.140 . 4.140 3.671 2.747 4.184 0.044 23 0 "[ . 1 . 2 .]" 1
547 1 34 GLN H 1 34 GLN QB 3.500 . 3.500 2.417 2.347 2.507 . 0 0 "[ . 1 . 2 .]" 1
548 1 34 GLN H 1 34 GLN QG 3.290 . 3.290 2.505 2.186 2.807 . 0 0 "[ . 1 . 2 .]" 1
549 1 34 GLN H 1 36 VAL MG2 4.450 . 4.450 3.692 3.525 3.917 . 0 0 "[ . 1 . 2 .]" 1
550 1 34 GLN HA 1 34 GLN QE 4.030 . 4.030 3.155 2.205 4.082 0.052 17 0 "[ . 1 . 2 .]" 1
551 1 34 GLN HA 1 34 GLN HG2 4.170 . 4.170 2.808 2.369 3.181 . 0 0 "[ . 1 . 2 .]" 1
552 1 34 GLN HA 1 34 GLN QG 3.560 . 3.560 2.709 2.302 3.026 . 0 0 "[ . 1 . 2 .]" 1
553 1 34 GLN HA 1 34 GLN HG3 4.170 . 4.170 3.572 3.059 3.795 . 0 0 "[ . 1 . 2 .]" 1
554 1 34 GLN QB 1 36 VAL H 5.280 . 5.280 3.421 3.116 3.981 . 0 0 "[ . 1 . 2 .]" 1
555 1 34 GLN QB 1 36 VAL MG1 3.540 . 3.540 2.474 2.214 2.959 . 0 0 "[ . 1 . 2 .]" 1
556 1 34 GLN QB 1 36 VAL MG2 3.310 . 3.310 2.401 2.170 2.973 . 0 0 "[ . 1 . 2 .]" 1
557 1 34 GLN HB2 1 36 VAL MG1 4.180 . 4.180 2.794 2.408 3.245 . 0 0 "[ . 1 . 2 .]" 1
558 1 34 GLN HB2 1 36 VAL MG2 4.120 . 4.120 2.441 2.199 3.048 . 0 0 "[ . 1 . 2 .]" 1
559 1 34 GLN HB3 1 36 VAL MG1 4.180 . 4.180 2.782 2.368 3.414 . 0 0 "[ . 1 . 2 .]" 1
560 1 34 GLN HB3 1 36 VAL MG2 4.120 . 4.120 3.569 3.214 4.135 0.015 1 0 "[ . 1 . 2 .]" 1
561 1 35 GLY H 1 36 VAL H 3.620 . 3.620 2.517 2.149 2.889 . 0 0 "[ . 1 . 2 .]" 1
562 1 35 GLY H 1 36 VAL MG1 4.400 . 4.400 3.917 3.536 4.292 . 0 0 "[ . 1 . 2 .]" 1
563 1 36 VAL H 1 36 VAL MG1 3.950 . 3.950 2.839 2.706 3.049 . 0 0 "[ . 1 . 2 .]" 1
564 1 36 VAL H 1 36 VAL MG2 3.380 . 3.380 2.169 2.051 2.354 . 0 0 "[ . 1 . 2 .]" 1
565 1 36 VAL H 1 37 PRO QD 5.350 . 5.350 4.390 4.354 4.420 . 0 0 "[ . 1 . 2 .]" 1
566 1 36 VAL HA 1 36 VAL MG1 3.320 . 3.320 2.370 2.312 2.417 . 0 0 "[ . 1 . 2 .]" 1
567 1 36 VAL HA 1 37 PRO HD2 3.340 . 3.340 2.690 2.314 3.305 . 0 0 "[ . 1 . 2 .]" 1
568 1 36 VAL HA 1 37 PRO QD 2.760 . 2.760 2.063 1.913 2.198 . 0 0 "[ . 1 . 2 .]" 1
569 1 36 VAL HA 1 37 PRO HD3 3.340 . 3.340 2.227 1.931 2.545 . 0 0 "[ . 1 . 2 .]" 1
570 1 36 VAL HB 1 37 PRO HD2 3.520 . 3.520 2.125 1.929 2.395 . 0 0 "[ . 1 . 2 .]" 1
571 1 36 VAL HB 1 37 PRO QD 3.040 . 3.040 2.078 1.918 2.264 . 0 0 "[ . 1 . 2 .]" 1
572 1 36 VAL HB 1 37 PRO HD3 3.520 . 3.520 3.206 2.436 3.602 0.082 20 0 "[ . 1 . 2 .]" 1
573 1 36 VAL HB 1 71 GLN QE 4.670 . 4.670 2.750 1.624 3.945 . 0 0 "[ . 1 . 2 .]" 1
574 1 36 VAL HB 1 71 GLN QG 4.390 . 4.390 3.582 2.375 4.472 0.082 23 0 "[ . 1 . 2 .]" 1
575 1 36 VAL MG1 1 37 PRO HD2 4.230 . 4.230 3.373 3.079 3.740 . 0 0 "[ . 1 . 2 .]" 1
576 1 36 VAL MG1 1 37 PRO QD 3.680 . 3.680 3.078 2.972 3.206 . 0 0 "[ . 1 . 2 .]" 1
577 1 36 VAL MG1 1 37 PRO HD3 4.230 . 4.230 3.727 3.207 4.111 . 0 0 "[ . 1 . 2 .]" 1
578 1 36 VAL MG1 1 71 GLN HE21 4.470 . 4.470 3.609 2.417 4.615 0.145 24 0 "[ . 1 . 2 .]" 1
579 1 36 VAL MG1 1 71 GLN HE22 4.470 . 4.470 3.039 2.069 4.537 0.067 6 0 "[ . 1 . 2 .]" 1
580 1 36 VAL MG2 1 37 PRO HD2 4.700 . 4.700 3.576 3.405 3.726 . 0 0 "[ . 1 . 2 .]" 1
581 1 36 VAL MG2 1 37 PRO HD3 4.700 . 4.700 4.313 3.831 4.564 . 0 0 "[ . 1 . 2 .]" 1
582 1 36 VAL MG2 1 38 ALA H 4.740 . 4.740 4.396 4.212 4.537 . 0 0 "[ . 1 . 2 .]" 1
583 1 36 VAL MG2 1 38 ALA MB 4.110 . 4.110 4.210 4.139 4.271 0.161 24 0 "[ . 1 . 2 .]" 1
584 1 36 VAL MG2 1 71 GLN QB 4.570 . 4.570 3.430 2.881 4.378 . 0 0 "[ . 1 . 2 .]" 1
585 1 36 VAL MG2 1 71 GLN QG 4.550 . 4.550 3.826 2.335 4.495 . 0 0 "[ . 1 . 2 .]" 1
586 1 37 PRO HA 1 38 ALA H 3.000 . 3.000 2.154 2.137 2.170 . 0 0 "[ . 1 . 2 .]" 1
587 1 37 PRO HA 1 38 ALA HA 4.700 . 4.700 4.411 4.379 4.452 . 0 0 "[ . 1 . 2 .]" 1
588 1 37 PRO HA 1 38 ALA MB 4.160 . 4.160 4.016 3.990 4.045 . 0 0 "[ . 1 . 2 .]" 1
589 1 37 PRO HB2 1 38 ALA H 4.170 . 4.170 3.823 3.511 4.136 . 0 0 "[ . 1 . 2 .]" 1
590 1 37 PRO HB2 1 39 ASP H 4.030 . 4.030 3.244 2.470 3.783 . 0 0 "[ . 1 . 2 .]" 1
591 1 37 PRO HB2 1 39 ASP QB 4.220 . 4.220 3.423 2.339 4.214 . 0 0 "[ . 1 . 2 .]" 1
592 1 37 PRO HB2 1 40 GLN H 4.300 . 4.300 2.732 2.334 3.286 . 0 0 "[ . 1 . 2 .]" 1
593 1 37 PRO HB3 1 39 ASP H 4.720 . 4.720 4.049 3.537 4.484 . 0 0 "[ . 1 . 2 .]" 1
594 1 37 PRO QD 1 71 GLN QE 4.090 . 4.090 2.788 1.960 4.182 0.092 9 0 "[ . 1 . 2 .]" 1
595 1 38 ALA H 1 38 ALA MB 3.080 . 3.080 2.248 2.219 2.281 . 0 0 "[ . 1 . 2 .]" 1
596 1 38 ALA H 1 39 ASP H 3.770 . 3.770 2.533 2.362 2.633 . 0 0 "[ . 1 . 2 .]" 1
597 1 38 ALA H 1 41 LEU HB2 5.370 . 5.370 4.641 4.409 4.900 . 0 0 "[ . 1 . 2 .]" 1
598 1 38 ALA HA 1 41 LEU H 4.260 . 4.260 3.396 3.026 3.742 . 0 0 "[ . 1 . 2 .]" 1
599 1 38 ALA HA 1 41 LEU HB2 3.360 . 3.360 2.288 1.994 2.541 . 0 0 "[ . 1 . 2 .]" 1
600 1 38 ALA HA 1 41 LEU MD2 3.240 . 3.240 2.712 2.411 2.927 . 0 0 "[ . 1 . 2 .]" 1
601 1 38 ALA MB 1 39 ASP H 3.590 . 3.590 2.946 2.747 3.225 . 0 0 "[ . 1 . 2 .]" 1
602 1 38 ALA MB 1 41 LEU MD2 3.990 . 3.990 3.216 2.721 3.531 . 0 0 "[ . 1 . 2 .]" 1
603 1 39 ASP H 1 39 ASP HB2 3.780 . 3.780 2.521 2.319 2.682 . 0 0 "[ . 1 . 2 .]" 1
604 1 39 ASP H 1 39 ASP QB 3.280 . 3.280 2.377 2.203 2.560 . 0 0 "[ . 1 . 2 .]" 1
605 1 39 ASP H 1 39 ASP HB3 3.780 . 3.780 3.209 2.386 3.644 . 0 0 "[ . 1 . 2 .]" 1
606 1 39 ASP H 1 40 GLN H 3.770 . 3.770 2.616 2.410 2.889 . 0 0 "[ . 1 . 2 .]" 1
607 1 39 ASP HB2 1 40 GLN H 4.760 . 4.760 3.227 2.226 4.159 . 0 0 "[ . 1 . 2 .]" 1
608 1 39 ASP HB3 1 40 GLN H 4.760 . 4.760 3.381 2.390 4.202 . 0 0 "[ . 1 . 2 .]" 1
609 1 40 GLN H 1 40 GLN HB2 3.880 . 3.880 2.610 2.338 3.799 . 0 0 "[ . 1 . 2 .]" 1
610 1 40 GLN H 1 40 GLN QB 3.280 . 3.280 2.499 2.310 3.006 . 0 0 "[ . 1 . 2 .]" 1
611 1 40 GLN H 1 40 GLN HB3 3.880 . 3.880 3.616 2.708 3.747 . 0 0 "[ . 1 . 2 .]" 1
612 1 40 GLN H 1 40 GLN QG 3.490 . 3.490 2.679 2.156 3.597 0.107 11 0 "[ . 1 . 2 .]" 1
613 1 40 GLN H 1 41 LEU H 3.390 . 3.390 2.466 2.116 2.750 . 0 0 "[ . 1 . 2 .]" 1
614 1 40 GLN HA 1 40 GLN QG 3.720 . 3.720 2.709 2.346 3.364 . 0 0 "[ . 1 . 2 .]" 1
615 1 41 LEU H 1 41 LEU HB2 3.270 . 3.270 2.666 2.472 2.862 . 0 0 "[ . 1 . 2 .]" 1
616 1 41 LEU H 1 41 LEU HB3 4.080 . 4.080 2.566 2.471 2.680 . 0 0 "[ . 1 . 2 .]" 1
617 1 41 LEU H 1 41 LEU MD1 4.270 . 4.270 4.140 4.057 4.247 . 0 0 "[ . 1 . 2 .]" 1
618 1 41 LEU H 1 41 LEU MD2 4.350 . 4.350 4.333 4.222 4.452 0.102 8 0 "[ . 1 . 2 .]" 1
619 1 41 LEU H 1 42 ARG H 4.740 . 4.740 4.505 4.431 4.582 . 0 0 "[ . 1 . 2 .]" 1
620 1 41 LEU HA 1 41 LEU MD1 3.200 . 3.200 2.006 1.911 2.116 . 0 0 "[ . 1 . 2 .]" 1
621 1 41 LEU HA 1 42 ARG H 3.340 . 3.340 2.209 2.127 2.329 . 0 0 "[ . 1 . 2 .]" 1
622 1 41 LEU HA 1 42 ARG HA 4.620 . 4.620 4.402 4.363 4.456 . 0 0 "[ . 1 . 2 .]" 1
623 1 41 LEU HA 1 71 GLN HA 4.170 . 4.170 2.450 2.185 3.679 . 0 0 "[ . 1 . 2 .]" 1
624 1 41 LEU HB2 1 41 LEU MD1 3.090 . 3.090 2.343 2.294 2.380 . 0 0 "[ . 1 . 2 .]" 1
625 1 41 LEU HB2 1 41 LEU MD2 2.590 . 2.590 2.381 2.338 2.440 . 0 0 "[ . 1 . 2 .]" 1
626 1 41 LEU HB2 1 42 ARG H 4.410 . 4.410 4.202 4.042 4.286 . 0 0 "[ . 1 . 2 .]" 1
627 1 41 LEU HB3 1 41 LEU MD1 3.290 . 3.290 3.187 3.180 3.193 . 0 0 "[ . 1 . 2 .]" 1
628 1 41 LEU HB3 1 41 LEU MD2 3.240 . 3.240 2.307 2.267 2.342 . 0 0 "[ . 1 . 2 .]" 1
629 1 41 LEU HB3 1 42 ARG H 4.390 . 4.390 3.973 3.827 4.152 . 0 0 "[ . 1 . 2 .]" 1
630 1 41 LEU MD1 1 42 ARG H 4.110 . 4.110 2.402 2.197 2.712 . 0 0 "[ . 1 . 2 .]" 1
631 1 41 LEU MD1 1 71 GLN HA 3.670 . 3.670 2.301 1.962 3.260 . 0 0 "[ . 1 . 2 .]" 1
632 1 41 LEU MD1 1 71 GLN QB 4.250 . 4.250 2.256 1.827 2.796 . 0 0 "[ . 1 . 2 .]" 1
633 1 41 LEU MD1 1 71 GLN HG2 4.820 . 4.820 3.892 2.776 4.282 . 0 0 "[ . 1 . 2 .]" 1
634 1 41 LEU MD1 1 71 GLN QG 4.200 . 4.200 3.037 2.527 3.889 . 0 0 "[ . 1 . 2 .]" 1
635 1 41 LEU MD1 1 71 GLN HG3 4.820 . 4.820 3.374 2.568 4.727 . 0 0 "[ . 1 . 2 .]" 1
636 1 41 LEU MD2 1 69 ILE MG 3.540 . 3.540 2.219 1.925 2.631 . 0 0 "[ . 1 . 2 .]" 1
637 1 41 LEU HG 1 42 ARG HA 4.220 . 4.220 4.183 3.863 4.355 0.135 13 0 "[ . 1 . 2 .]" 1
638 1 42 ARG H 1 42 ARG QB 3.770 . 3.770 2.450 2.325 2.588 . 0 0 "[ . 1 . 2 .]" 1
639 1 42 ARG H 1 42 ARG QD 4.910 . 4.910 4.563 4.241 4.787 . 0 0 "[ . 1 . 2 .]" 1
640 1 42 ARG H 1 42 ARG QG 4.450 . 4.450 4.077 3.954 4.191 . 0 0 "[ . 1 . 2 .]" 1
641 1 42 ARG H 1 69 ILE MG 4.290 . 4.290 3.452 3.109 3.745 . 0 0 "[ . 1 . 2 .]" 1
642 1 42 ARG H 1 70 VAL H 4.080 . 4.080 3.445 3.083 3.862 . 0 0 "[ . 1 . 2 .]" 1
643 1 42 ARG H 1 70 VAL MG1 5.500 . 5.500 4.514 3.315 5.527 0.027 7 0 "[ . 1 . 2 .]" 1
644 1 42 ARG H 1 70 VAL QG 4.620 . 4.620 3.644 3.065 4.529 . 0 0 "[ . 1 . 2 .]" 1
645 1 42 ARG H 1 70 VAL MG2 5.500 . 5.500 4.409 3.086 5.491 . 0 0 "[ . 1 . 2 .]" 1
646 1 42 ARG HA 1 42 ARG QD 3.960 . 3.960 2.720 2.022 4.179 0.219 10 0 "[ . 1 . 2 .]" 1
647 1 42 ARG HA 1 42 ARG QG 3.550 . 3.550 2.875 2.415 3.207 . 0 0 "[ . 1 . 2 .]" 1
648 1 42 ARG HA 1 43 VAL H 3.230 . 3.230 2.178 2.122 2.278 . 0 0 "[ . 1 . 2 .]" 1
649 1 42 ARG HA 1 43 VAL MG1 4.180 . 4.180 3.740 3.553 3.897 . 0 0 "[ . 1 . 2 .]" 1
650 1 42 ARG HA 1 43 VAL QG 3.570 . 3.570 3.323 3.261 3.395 . 0 0 "[ . 1 . 2 .]" 1
651 1 42 ARG HA 1 43 VAL MG2 4.180 . 4.180 3.731 3.552 3.942 . 0 0 "[ . 1 . 2 .]" 1
652 1 42 ARG QB 1 42 ARG QD 3.200 . 3.200 2.545 2.081 2.912 . 0 0 "[ . 1 . 2 .]" 1
653 1 42 ARG QB 1 43 VAL H 4.580 . 4.580 3.707 3.468 3.833 . 0 0 "[ . 1 . 2 .]" 1
654 1 42 ARG QB 1 70 VAL H 4.550 . 4.550 3.361 3.008 3.698 . 0 0 "[ . 1 . 2 .]" 1
655 1 42 ARG QB 1 70 VAL HB 4.680 . 4.680 4.073 2.455 4.749 0.069 14 0 "[ . 1 . 2 .]" 1
656 1 42 ARG QB 1 70 VAL QG 3.790 . 3.790 2.488 1.929 3.760 . 0 0 "[ . 1 . 2 .]" 1
657 1 42 ARG QD 1 43 VAL HA 4.420 . 4.420 4.484 3.572 4.706 0.286 10 0 "[ . 1 . 2 .]" 1
658 1 42 ARG QD 1 44 ILE MD 3.780 . 3.780 2.727 1.989 3.515 . 0 0 "[ . 1 . 2 .]" 1
659 1 42 ARG QD 1 70 VAL QG 4.880 . 4.880 3.999 2.131 5.158 0.278 9 0 "[ . 1 . 2 .]" 1
660 1 42 ARG HD2 1 44 ILE MD 4.320 . 4.320 3.133 2.110 4.325 0.005 17 0 "[ . 1 . 2 .]" 1
661 1 42 ARG HD3 1 44 ILE MD 4.320 . 4.320 3.408 2.003 4.326 0.006 5 0 "[ . 1 . 2 .]" 1
662 1 42 ARG QG 1 43 VAL H 4.170 . 4.170 2.868 1.961 3.538 . 0 0 "[ . 1 . 2 .]" 1
663 1 42 ARG QG 1 43 VAL HA 4.020 . 4.020 3.904 3.479 4.124 0.104 7 0 "[ . 1 . 2 .]" 1
664 1 42 ARG QG 1 44 ILE MD 3.410 . 3.410 2.606 1.896 3.426 0.016 25 0 "[ . 1 . 2 .]" 1
665 1 43 VAL H 1 43 VAL HB 3.890 . 3.890 3.747 3.678 3.859 . 0 0 "[ . 1 . 2 .]" 1
666 1 43 VAL H 1 43 VAL QG 3.400 . 3.400 2.003 1.886 2.190 . 0 0 "[ . 1 . 2 .]" 1
667 1 43 VAL H 1 44 ILE MD 4.510 . 4.510 4.232 3.373 4.536 0.026 16 0 "[ . 1 . 2 .]" 1
668 1 43 VAL HA 1 43 VAL QG 3.070 . 3.070 2.293 2.232 2.371 . 0 0 "[ . 1 . 2 .]" 1
669 1 43 VAL HA 1 44 ILE H 3.470 . 3.470 2.156 2.111 2.250 . 0 0 "[ . 1 . 2 .]" 1
670 1 43 VAL HA 1 69 ILE MG 4.320 . 4.320 3.084 2.763 3.513 . 0 0 "[ . 1 . 2 .]" 1
671 1 43 VAL QG 1 44 ILE H 3.940 . 3.940 3.511 3.348 3.676 . 0 0 "[ . 1 . 2 .]" 1
672 1 43 VAL QG 1 69 ILE HA 3.960 . 3.960 3.443 2.928 3.751 . 0 0 "[ . 1 . 2 .]" 1
673 1 43 VAL QG 1 69 ILE QG 3.640 . 3.640 1.968 1.877 2.142 . 0 0 "[ . 1 . 2 .]" 1
674 1 43 VAL MG1 1 44 ILE H 4.580 . 4.580 3.911 3.797 4.064 . 0 0 "[ . 1 . 2 .]" 1
675 1 43 VAL MG2 1 44 ILE H 4.580 . 4.580 3.982 3.608 4.215 . 0 0 "[ . 1 . 2 .]" 1
676 1 44 ILE H 1 44 ILE HB 3.700 . 3.700 2.638 2.547 2.777 . 0 0 "[ . 1 . 2 .]" 1
677 1 44 ILE H 1 44 ILE MD 4.620 . 4.620 3.764 2.830 4.000 . 0 0 "[ . 1 . 2 .]" 1
678 1 44 ILE H 1 44 ILE QG 4.370 . 4.370 2.962 2.666 3.910 . 0 0 "[ . 1 . 2 .]" 1
679 1 44 ILE H 1 44 ILE MG 4.300 . 4.300 3.835 3.716 3.901 . 0 0 "[ . 1 . 2 .]" 1
680 1 44 ILE H 1 68 HIS QB 4.530 . 4.530 3.548 3.248 4.057 . 0 0 "[ . 1 . 2 .]" 1
681 1 44 ILE H 1 69 ILE HA 4.360 . 4.360 2.979 2.495 3.377 . 0 0 "[ . 1 . 2 .]" 1
682 1 44 ILE HA 1 44 ILE MD 3.370 . 3.370 2.073 1.979 2.833 . 0 0 "[ . 1 . 2 .]" 1
683 1 44 ILE HA 1 44 ILE QG 3.700 . 3.700 2.887 2.304 2.972 . 0 0 "[ . 1 . 2 .]" 1
684 1 44 ILE HA 1 44 ILE MG 3.260 . 3.260 2.466 2.419 2.630 . 0 0 "[ . 1 . 2 .]" 1
685 1 44 ILE HA 1 45 PHE H 3.530 . 3.530 2.141 2.087 2.244 . 0 0 "[ . 1 . 2 .]" 1
686 1 44 ILE HA 1 48 LYS H 4.650 . 4.650 4.379 3.666 4.705 0.055 19 0 "[ . 1 . 2 .]" 1
687 1 44 ILE HB 1 44 ILE MD 3.380 . 3.380 3.207 2.359 3.247 . 0 0 "[ . 1 . 2 .]" 1
688 1 44 ILE HB 1 68 HIS HB2 3.800 . 3.800 2.394 1.907 3.079 . 0 0 "[ . 1 . 2 .]" 1
689 1 44 ILE HB 1 68 HIS QB 3.290 . 3.290 2.333 1.890 2.894 . 0 0 "[ . 1 . 2 .]" 1
690 1 44 ILE HB 1 68 HIS HB3 3.800 . 3.800 3.316 2.987 3.707 . 0 0 "[ . 1 . 2 .]" 1
691 1 44 ILE MD 1 49 GLU H 4.490 . 4.490 3.859 3.118 4.548 0.058 3 0 "[ . 1 . 2 .]" 1
692 1 44 ILE MD 1 49 GLU QB 4.700 . 4.700 2.854 1.966 4.413 . 0 0 "[ . 1 . 2 .]" 1
693 1 44 ILE QG 1 44 ILE MG 3.320 . 3.320 2.298 2.087 2.330 . 0 0 "[ . 1 . 2 .]" 1
694 1 44 ILE MG 1 45 PHE H 3.530 . 3.530 2.673 2.260 3.256 . 0 0 "[ . 1 . 2 .]" 1
695 1 44 ILE MG 1 45 PHE QB 4.920 . 4.920 4.276 4.054 4.588 . 0 0 "[ . 1 . 2 .]" 1
696 1 44 ILE MG 1 46 ALA MB 5.240 . 5.240 4.757 4.396 5.018 . 0 0 "[ . 1 . 2 .]" 1
697 1 44 ILE MG 1 47 GLY H 3.780 . 3.780 2.650 2.167 3.547 . 0 0 "[ . 1 . 2 .]" 1
698 1 44 ILE MG 1 47 GLY HA2 4.220 . 4.220 2.723 2.242 3.192 . 0 0 "[ . 1 . 2 .]" 1
699 1 44 ILE MG 1 47 GLY QA 3.590 . 3.590 2.677 2.222 3.095 . 0 0 "[ . 1 . 2 .]" 1
700 1 44 ILE MG 1 47 GLY HA3 4.220 . 4.220 3.969 3.614 4.294 0.074 15 0 "[ . 1 . 2 .]" 1
701 1 44 ILE MG 1 48 LYS H 3.630 . 3.630 3.024 2.497 3.426 . 0 0 "[ . 1 . 2 .]" 1
702 1 44 ILE MG 1 48 LYS QG 5.030 . 5.030 4.586 4.008 5.115 0.085 5 0 "[ . 1 . 2 .]" 1
703 1 44 ILE MG 1 68 HIS QB 4.270 . 4.270 2.939 2.685 3.365 . 0 0 "[ . 1 . 2 .]" 1
704 1 45 PHE H 1 45 PHE QB 3.820 . 3.820 2.583 2.307 2.731 . 0 0 "[ . 1 . 2 .]" 1
705 1 45 PHE H 1 46 ALA MB 5.110 . 5.110 4.628 4.289 4.898 . 0 0 "[ . 1 . 2 .]" 1
706 1 45 PHE H 1 48 LYS H 3.630 . 3.630 3.007 2.609 3.377 . 0 0 "[ . 1 . 2 .]" 1
707 1 45 PHE H 1 50 LEU MD1 5.480 . 5.480 4.829 4.255 5.146 . 0 0 "[ . 1 . 2 .]" 1
708 1 45 PHE H 1 50 LEU QD 4.140 . 4.140 3.917 3.405 4.246 0.106 17 0 "[ . 1 . 2 .]" 1
709 1 45 PHE H 1 50 LEU MD2 5.480 . 5.480 4.150 3.582 4.523 . 0 0 "[ . 1 . 2 .]" 1
710 1 45 PHE H 1 50 LEU HG 4.720 . 4.720 3.938 3.403 4.299 . 0 0 "[ . 1 . 2 .]" 1
711 1 45 PHE HA 1 45 PHE QD 3.460 . 3.460 2.661 2.402 3.016 . 0 0 "[ . 1 . 2 .]" 1
712 1 45 PHE HA 1 45 PHE QE 4.780 . 4.780 4.590 4.469 4.754 . 0 0 "[ . 1 . 2 .]" 1
713 1 45 PHE HA 1 47 GLY H 4.430 . 4.430 3.715 3.133 4.579 0.149 15 0 "[ . 1 . 2 .]" 1
714 1 45 PHE HA 1 67 VAL QG 4.950 . 4.950 3.517 2.695 4.227 . 0 0 "[ . 1 . 2 .]" 1
715 1 45 PHE QB 1 50 LEU MD1 3.540 . 3.540 2.541 2.178 2.825 . 0 0 "[ . 1 . 2 .]" 1
716 1 45 PHE QB 1 50 LEU MD2 3.540 . 3.540 2.303 1.844 2.932 . 0 0 "[ . 1 . 2 .]" 1
717 1 45 PHE QB 1 67 VAL MG1 4.340 . 4.340 2.688 2.177 3.109 . 0 0 "[ . 1 . 2 .]" 1
718 1 45 PHE QB 1 67 VAL MG2 4.340 . 4.340 3.505 2.807 4.383 0.043 9 0 "[ . 1 . 2 .]" 1
719 1 45 PHE QB 1 68 HIS H 4.410 . 4.410 4.059 3.138 4.480 0.070 1 0 "[ . 1 . 2 .]" 1
720 1 45 PHE QD 1 46 ALA MB 3.730 . 3.730 3.074 2.593 3.549 . 0 0 "[ . 1 . 2 .]" 1
721 1 45 PHE QD 1 48 LYS QD 4.600 . 4.600 4.070 2.650 4.743 0.143 8 0 "[ . 1 . 2 .]" 1
722 1 45 PHE QD 1 48 LYS QE 4.230 . 4.230 2.776 2.035 4.251 0.021 7 0 "[ . 1 . 2 .]" 1
723 1 45 PHE QD 1 50 LEU MD1 4.400 . 4.400 3.237 2.241 3.961 . 0 0 "[ . 1 . 2 .]" 1
724 1 45 PHE QD 1 50 LEU QD 3.230 . 3.230 2.171 1.807 3.177 . 0 0 "[ . 1 . 2 .]" 1
725 1 45 PHE QD 1 50 LEU MD2 4.400 . 4.400 2.221 1.839 3.346 . 0 0 "[ . 1 . 2 .]" 1
726 1 45 PHE QD 1 61 LEU MD1 5.020 . 5.020 3.744 2.798 4.675 . 0 0 "[ . 1 . 2 .]" 1
727 1 45 PHE QD 1 61 LEU QD 4.340 . 4.340 3.055 2.526 3.507 . 0 0 "[ . 1 . 2 .]" 1
728 1 45 PHE QD 1 61 LEU MD2 5.020 . 5.020 3.582 2.550 5.047 0.027 8 0 "[ . 1 . 2 .]" 1
729 1 45 PHE QD 1 67 VAL HA 3.610 . 3.610 2.425 1.960 3.387 . 0 0 "[ . 1 . 2 .]" 1
730 1 45 PHE QD 1 67 VAL QG 3.650 . 3.650 2.404 1.851 3.003 . 0 0 "[ . 1 . 2 .]" 1
731 1 45 PHE QE 1 46 ALA MB 4.070 . 4.070 3.407 3.046 3.938 . 0 0 "[ . 1 . 2 .]" 1
732 1 45 PHE QE 1 61 LEU HA 4.280 . 4.280 3.003 1.992 4.288 0.008 8 0 "[ . 1 . 2 .]" 1
733 1 45 PHE QE 1 61 LEU MD1 5.330 . 5.330 3.636 2.639 5.150 . 0 0 "[ . 1 . 2 .]" 1
734 1 45 PHE QE 1 61 LEU MD2 5.330 . 5.330 3.894 2.530 4.810 . 0 0 "[ . 1 . 2 .]" 1
735 1 45 PHE QE 1 64 GLN QB 5.000 . 5.000 2.996 2.138 4.157 . 0 0 "[ . 1 . 2 .]" 1
736 1 45 PHE HZ 1 61 LEU HA 4.350 . 4.350 3.219 2.091 4.410 0.060 8 0 "[ . 1 . 2 .]" 1
737 1 45 PHE HZ 1 64 GLN QB 4.230 . 4.230 2.104 1.782 3.668 . 0 0 "[ . 1 . 2 .]" 1
738 1 45 PHE HZ 1 64 GLN QG 4.670 . 4.670 3.246 1.868 4.087 . 0 0 "[ . 1 . 2 .]" 1
739 1 46 ALA H 1 47 GLY H 4.410 . 4.410 2.824 2.478 3.756 . 0 0 "[ . 1 . 2 .]" 1
740 1 46 ALA HA 1 47 GLY QA 4.510 . 4.510 4.080 3.844 4.249 . 0 0 "[ . 1 . 2 .]" 1
741 1 46 ALA MB 1 47 GLY H 4.180 . 4.180 3.326 2.113 3.711 . 0 0 "[ . 1 . 2 .]" 1
742 1 46 ALA MB 1 48 LYS H 4.460 . 4.460 3.407 3.158 3.847 . 0 0 "[ . 1 . 2 .]" 1
743 1 46 ALA MB 1 48 LYS QE 4.150 . 4.150 2.830 1.925 4.137 . 0 0 "[ . 1 . 2 .]" 1
744 1 46 ALA MB 1 48 LYS QG 3.850 . 3.850 2.996 2.468 4.027 0.177 5 0 "[ . 1 . 2 .]" 1
745 1 47 GLY H 1 48 LYS H 3.770 . 3.770 2.354 1.546 2.867 . 0 0 "[ . 1 . 2 .]" 1
746 1 48 LYS H 1 48 LYS HB2 4.160 . 4.160 3.821 3.704 3.982 . 0 0 "[ . 1 . 2 .]" 1
747 1 48 LYS H 1 48 LYS QB 3.330 . 3.330 3.091 2.753 3.342 0.012 24 0 "[ . 1 . 2 .]" 1
748 1 48 LYS H 1 48 LYS HB3 4.160 . 4.160 3.272 2.837 3.621 . 0 0 "[ . 1 . 2 .]" 1
749 1 48 LYS H 1 48 LYS QE 4.760 . 4.760 4.060 3.435 4.729 . 0 0 "[ . 1 . 2 .]" 1
750 1 48 LYS H 1 48 LYS QG 3.820 . 3.820 2.386 1.930 3.599 . 0 0 "[ . 1 . 2 .]" 1
751 1 48 LYS H 1 49 GLU H 4.530 . 4.530 4.418 4.334 4.501 . 0 0 "[ . 1 . 2 .]" 1
752 1 48 LYS HA 1 48 LYS QD 4.100 . 4.100 3.939 3.566 4.332 0.232 7 0 "[ . 1 . 2 .]" 1
753 1 48 LYS HA 1 48 LYS QG 3.670 . 3.670 3.405 3.322 3.547 . 0 0 "[ . 1 . 2 .]" 1
754 1 48 LYS QD 1 49 GLU H 3.610 . 3.610 3.528 3.034 3.774 0.164 5 0 "[ . 1 . 2 .]" 1
755 1 48 LYS QD 1 50 LEU H 4.830 . 4.830 4.695 4.020 5.036 0.206 2 0 "[ . 1 . 2 .]" 1
756 1 48 LYS QG 1 49 GLU H 4.430 . 4.430 3.740 2.409 4.414 . 0 0 "[ . 1 . 2 .]" 1
757 1 48 LYS QG 1 50 LEU QD 4.040 . 4.040 3.564 2.542 4.135 0.095 25 0 "[ . 1 . 2 .]" 1
758 1 49 GLU H 1 49 GLU QG 4.440 . 4.440 2.758 1.947 4.064 . 0 0 "[ . 1 . 2 .]" 1
759 1 49 GLU H 1 50 LEU H 4.620 . 4.620 4.488 4.294 4.603 . 0 0 "[ . 1 . 2 .]" 1
760 1 49 GLU QB 1 50 LEU H 4.200 . 4.200 2.948 2.233 3.669 . 0 0 "[ . 1 . 2 .]" 1
761 1 49 GLU QG 1 50 LEU H 4.150 . 4.150 3.599 2.280 4.231 0.081 2 0 "[ . 1 . 2 .]" 1
762 1 50 LEU H 1 50 LEU QD 4.050 . 4.050 3.143 2.839 3.389 . 0 0 "[ . 1 . 2 .]" 1
763 1 50 LEU H 1 50 LEU HG 3.680 . 3.680 2.496 2.014 2.910 . 0 0 "[ . 1 . 2 .]" 1
764 1 50 LEU HA 1 50 LEU QD 3.730 . 3.730 2.077 1.964 2.193 . 0 0 "[ . 1 . 2 .]" 1
765 1 50 LEU HA 1 51 ARG HA 4.520 . 4.520 4.322 4.275 4.387 . 0 0 "[ . 1 . 2 .]" 1
766 1 50 LEU HA 1 51 ARG QD 4.760 . 4.760 3.757 3.034 4.859 0.099 13 0 "[ . 1 . 2 .]" 1
767 1 50 LEU QB 1 51 ARG QD 4.500 . 4.500 3.656 2.297 4.652 0.152 8 0 "[ . 1 . 2 .]" 1
768 1 50 LEU QB 1 51 ARG HG2 4.210 . 4.210 3.767 3.027 4.357 0.147 20 0 "[ . 1 . 2 .]" 1
769 1 50 LEU QD 1 51 ARG H 4.170 . 4.170 3.360 3.007 3.685 . 0 0 "[ . 1 . 2 .]" 1
770 1 50 LEU QD 1 51 ARG QD 4.180 . 4.180 3.810 3.062 4.313 0.133 17 0 "[ . 1 . 2 .]" 1
771 1 50 LEU QD 1 59 CYS QB 4.190 . 4.190 2.848 1.931 3.795 . 0 0 "[ . 1 . 2 .]" 1
772 1 50 LEU QD 1 61 LEU QD 3.340 . 3.340 1.948 1.728 2.872 . 0 0 "[ . 1 . 2 .]" 1
773 1 50 LEU MD1 1 59 CYS QB 5.120 . 5.120 3.004 1.952 4.011 . 0 0 "[ . 1 . 2 .]" 1
774 1 50 LEU MD2 1 59 CYS QB 5.120 . 5.120 3.670 2.688 4.682 . 0 0 "[ . 1 . 2 .]" 1
775 1 51 ARG H 1 51 ARG QB 3.700 . 3.700 2.632 2.376 2.949 . 0 0 "[ . 1 . 2 .]" 1
776 1 51 ARG H 1 51 ARG HG2 4.420 . 4.420 2.487 1.698 3.470 . 0 0 "[ . 1 . 2 .]" 1
777 1 51 ARG H 1 51 ARG HG3 4.480 . 4.480 3.642 3.192 3.909 . 0 0 "[ . 1 . 2 .]" 1
778 1 51 ARG HA 1 52 ASN H 3.410 . 3.410 2.235 2.078 3.378 . 0 0 "[ . 1 . 2 .]" 1
779 1 51 ARG QB 1 53 ASP H 3.890 . 3.890 3.115 2.813 3.790 . 0 0 "[ . 1 . 2 .]" 1
780 1 51 ARG HB2 1 52 ASN H 4.550 . 4.550 3.303 2.634 4.329 . 0 0 "[ . 1 . 2 .]" 1
781 1 51 ARG HB3 1 52 ASN H 4.550 . 4.550 4.098 3.828 4.417 . 0 0 "[ . 1 . 2 .]" 1
782 1 52 ASN H 1 52 ASN QB 3.530 . 3.530 2.511 2.255 3.291 . 0 0 "[ . 1 . 2 .]" 1
783 1 52 ASN QB 1 53 ASP H 4.230 . 4.230 3.431 2.414 3.750 . 0 0 "[ . 1 . 2 .]" 1
784 1 53 ASP H 1 53 ASP QB 3.560 . 3.560 2.425 2.223 2.572 . 0 0 "[ . 1 . 2 .]" 1
785 1 53 ASP H 1 54 TRP H 3.360 . 3.360 3.136 2.485 3.658 0.298 19 0 "[ . 1 . 2 .]" 1
786 1 53 ASP H 1 54 TRP HB2 4.870 . 4.870 4.368 4.130 4.600 . 0 0 "[ . 1 . 2 .]" 1
787 1 53 ASP H 1 54 TRP QB 4.290 . 4.290 4.066 3.874 4.223 . 0 0 "[ . 1 . 2 .]" 1
788 1 53 ASP H 1 54 TRP HB3 4.870 . 4.870 4.850 4.662 5.104 0.234 25 0 "[ . 1 . 2 .]" 1
789 1 53 ASP QB 1 54 TRP H 4.210 . 4.210 3.796 2.785 4.038 . 0 0 "[ . 1 . 2 .]" 1
790 1 53 ASP HB2 1 54 TRP H 4.950 . 4.950 4.376 3.312 4.657 . 0 0 "[ . 1 . 2 .]" 1
791 1 53 ASP HB3 1 54 TRP H 4.950 . 4.950 4.228 2.837 4.461 . 0 0 "[ . 1 . 2 .]" 1
792 1 54 TRP H 1 54 TRP HB2 3.720 . 3.720 3.091 2.257 3.464 . 0 0 "[ . 1 . 2 .]" 1
793 1 54 TRP H 1 54 TRP QB 3.170 . 3.170 2.658 2.146 2.955 . 0 0 "[ . 1 . 2 .]" 1
794 1 54 TRP H 1 54 TRP HB3 3.720 . 3.720 2.914 2.607 3.206 . 0 0 "[ . 1 . 2 .]" 1
795 1 54 TRP H 1 54 TRP HE3 4.890 . 4.890 4.780 4.517 5.091 0.201 3 0 "[ . 1 . 2 .]" 1
796 1 54 TRP HA 1 55 THR H 3.330 . 3.330 2.350 2.158 2.591 . 0 0 "[ . 1 . 2 .]" 1
797 1 54 TRP QB 1 54 TRP HE3 3.650 . 3.650 2.908 2.287 3.106 . 0 0 "[ . 1 . 2 .]" 1
798 1 54 TRP QB 1 55 THR H 3.630 . 3.630 3.328 2.958 3.695 0.065 21 0 "[ . 1 . 2 .]" 1
799 1 54 TRP HB2 1 55 THR H 4.320 . 4.320 3.966 3.717 4.179 . 0 0 "[ . 1 . 2 .]" 1
800 1 54 TRP HB3 1 55 THR H 4.320 . 4.320 3.586 3.101 4.134 . 0 0 "[ . 1 . 2 .]" 1
801 1 54 TRP HE3 1 55 THR MG 4.340 . 4.340 3.870 3.289 4.276 . 0 0 "[ . 1 . 2 .]" 1
802 1 54 TRP HH2 1 55 THR MG 4.200 . 4.200 4.195 3.874 4.381 0.181 4 0 "[ . 1 . 2 .]" 1
803 1 54 TRP HZ2 1 55 THR MG 4.250 . 4.250 3.982 3.483 4.407 0.157 16 0 "[ . 1 . 2 .]" 1
804 1 55 THR H 1 55 THR MG 3.520 . 3.520 1.945 1.751 2.347 . 0 0 "[ . 1 . 2 .]" 1
805 1 55 THR H 1 58 ASN HB2 5.500 . 5.500 5.048 3.830 5.600 0.100 3 0 "[ . 1 . 2 .]" 1
806 1 55 THR H 1 58 ASN QB 4.710 . 4.710 4.171 3.740 4.813 0.103 25 0 "[ . 1 . 2 .]" 1
807 1 55 THR H 1 58 ASN HB3 5.500 . 5.500 4.553 3.928 5.579 0.079 2 0 "[ . 1 . 2 .]" 1
808 1 55 THR HA 1 55 THR MG 3.270 . 3.270 2.978 2.336 3.222 . 0 0 "[ . 1 . 2 .]" 1
809 1 55 THR HA 1 56 VAL H 3.560 . 3.560 2.212 2.120 2.370 . 0 0 "[ . 1 . 2 .]" 1
810 1 55 THR HA 1 56 VAL MG1 4.290 . 4.290 3.879 3.710 4.059 . 0 0 "[ . 1 . 2 .]" 1
811 1 55 THR HB 1 56 VAL H 3.940 . 3.940 3.581 2.491 3.974 0.034 21 0 "[ . 1 . 2 .]" 1
812 1 55 THR HB 1 57 GLN H 4.550 . 4.550 3.795 2.511 4.549 . 0 0 "[ . 1 . 2 .]" 1
813 1 55 THR MG 1 56 VAL H 4.280 . 4.280 3.879 3.673 4.247 . 0 0 "[ . 1 . 2 .]" 1
814 1 55 THR MG 1 57 GLN H 4.570 . 4.570 3.567 3.002 4.557 . 0 0 "[ . 1 . 2 .]" 1
815 1 55 THR MG 1 58 ASN QB 4.420 . 4.420 2.616 1.824 4.194 . 0 0 "[ . 1 . 2 .]" 1
816 1 56 VAL H 1 56 VAL HB 3.570 . 3.570 2.576 2.490 2.717 . 0 0 "[ . 1 . 2 .]" 1
817 1 56 VAL H 1 56 VAL MG1 3.060 . 3.060 2.021 1.896 2.124 . 0 0 "[ . 1 . 2 .]" 1
818 1 56 VAL H 1 56 VAL MG2 4.060 . 4.060 3.764 3.727 3.806 . 0 0 "[ . 1 . 2 .]" 1
819 1 56 VAL H 1 57 GLN H 3.860 . 3.860 2.466 2.328 2.539 . 0 0 "[ . 1 . 2 .]" 1
820 1 56 VAL H 1 57 GLN HA 4.980 . 4.980 5.027 4.819 5.111 0.131 6 0 "[ . 1 . 2 .]" 1
821 1 56 VAL HA 1 56 VAL MG1 3.340 . 3.340 3.222 3.206 3.229 . 0 0 "[ . 1 . 2 .]" 1
822 1 56 VAL HA 1 56 VAL MG2 3.150 . 3.150 2.353 2.301 2.394 . 0 0 "[ . 1 . 2 .]" 1
823 1 56 VAL HA 1 57 GLN HA 5.060 . 5.060 4.793 4.655 4.876 . 0 0 "[ . 1 . 2 .]" 1
824 1 56 VAL HA 1 59 CYS QB 4.180 . 4.180 2.573 2.105 2.980 . 0 0 "[ . 1 . 2 .]" 1
825 1 56 VAL HA 1 61 LEU QD 4.840 . 4.840 3.043 2.463 4.050 . 0 0 "[ . 1 . 2 .]" 1
826 1 56 VAL HB 1 57 GLN H 4.190 . 4.190 4.089 4.002 4.181 . 0 0 "[ . 1 . 2 .]" 1
827 1 56 VAL MG1 1 57 GLN H 3.800 . 3.800 2.449 2.211 2.648 . 0 0 "[ . 1 . 2 .]" 1
828 1 56 VAL MG1 1 57 GLN HA 4.290 . 4.290 3.175 3.025 3.357 . 0 0 "[ . 1 . 2 .]" 1
829 1 56 VAL MG1 1 57 GLN QB 4.180 . 4.180 3.234 2.883 3.490 . 0 0 "[ . 1 . 2 .]" 1
830 1 56 VAL MG1 1 61 LEU QD 4.030 . 4.030 3.862 3.583 4.148 0.118 25 0 "[ . 1 . 2 .]" 1
831 1 56 VAL MG2 1 57 GLN H 4.260 . 4.260 3.890 3.700 4.093 . 0 0 "[ . 1 . 2 .]" 1
832 1 56 VAL MG2 1 57 GLN HA 3.990 . 3.990 3.841 3.500 4.052 0.062 16 0 "[ . 1 . 2 .]" 1
833 1 56 VAL MG2 1 59 CYS QB 3.370 . 3.370 3.160 2.517 3.494 0.124 21 0 "[ . 1 . 2 .]" 1
834 1 56 VAL MG2 1 61 LEU QB 3.390 . 3.390 2.547 2.095 3.383 . 0 0 "[ . 1 . 2 .]" 1
835 1 56 VAL MG2 1 61 LEU MD1 4.400 . 4.400 2.315 1.742 3.991 . 0 0 "[ . 1 . 2 .]" 1
836 1 56 VAL MG2 1 61 LEU QD 3.040 . 3.040 1.784 1.634 2.083 . 0 0 "[ . 1 . 2 .]" 1
837 1 56 VAL MG2 1 61 LEU MD2 4.400 . 4.400 2.358 1.759 4.073 . 0 0 "[ . 1 . 2 .]" 1
838 1 57 GLN H 1 57 GLN HB2 3.610 . 3.610 2.559 2.233 3.630 0.020 20 0 "[ . 1 . 2 .]" 1
839 1 57 GLN H 1 57 GLN QB 3.060 . 3.060 2.253 2.149 2.484 . 0 0 "[ . 1 . 2 .]" 1
840 1 57 GLN H 1 57 GLN HB3 3.610 . 3.610 2.548 2.381 2.799 . 0 0 "[ . 1 . 2 .]" 1
841 1 57 GLN H 1 57 GLN QG 4.170 . 4.170 3.926 2.299 4.078 . 0 0 "[ . 1 . 2 .]" 1
842 1 57 GLN H 1 58 ASN H 3.650 . 3.650 2.661 2.533 2.763 . 0 0 "[ . 1 . 2 .]" 1
843 1 57 GLN HA 1 57 GLN QG 3.130 . 3.130 2.629 2.356 3.327 0.197 20 0 "[ . 1 . 2 .]" 1
844 1 57 GLN QB 1 58 ASN H 3.720 . 3.720 2.589 2.148 3.583 . 0 0 "[ . 1 . 2 .]" 1
845 1 57 GLN QG 1 58 ASN H 4.360 . 4.360 3.714 2.413 4.368 0.008 13 0 "[ . 1 . 2 .]" 1
846 1 58 ASN H 1 58 ASN HB2 3.730 . 3.730 2.506 2.285 2.693 . 0 0 "[ . 1 . 2 .]" 1
847 1 58 ASN H 1 58 ASN QB 3.190 . 3.190 2.288 2.194 2.414 . 0 0 "[ . 1 . 2 .]" 1
848 1 58 ASN H 1 58 ASN HB3 3.730 . 3.730 2.716 2.394 3.627 . 0 0 "[ . 1 . 2 .]" 1
849 1 58 ASN H 1 59 CYS H 3.490 . 3.490 2.504 2.343 2.686 . 0 0 "[ . 1 . 2 .]" 1
850 1 59 CYS H 1 59 CYS QB 3.480 . 3.480 2.415 2.299 2.565 . 0 0 "[ . 1 . 2 .]" 1
851 1 59 CYS H 1 60 ASP H 3.620 . 3.620 2.409 2.064 4.059 0.439 16 0 "[ . 1 . 2 .]" 1
852 1 59 CYS H 1 61 LEU H 5.440 . 5.440 4.524 3.749 5.497 0.057 4 0 "[ . 1 . 2 .]" 1
853 1 59 CYS QB 1 60 ASP H 4.250 . 4.250 3.072 2.614 3.663 . 0 0 "[ . 1 . 2 .]" 1
854 1 59 CYS QB 1 61 LEU H 4.320 . 4.320 3.544 2.910 4.318 . 0 0 "[ . 1 . 2 .]" 1
855 1 59 CYS QB 1 61 LEU QB 4.710 . 4.710 4.180 3.640 4.644 . 0 0 "[ . 1 . 2 .]" 1
856 1 59 CYS QB 1 61 LEU MD1 4.160 . 4.160 2.450 1.824 3.914 . 0 0 "[ . 1 . 2 .]" 1
857 1 59 CYS QB 1 61 LEU QD 3.590 . 3.590 2.057 1.817 2.807 . 0 0 "[ . 1 . 2 .]" 1
858 1 59 CYS QB 1 61 LEU MD2 4.160 . 4.160 3.208 1.827 4.013 . 0 0 "[ . 1 . 2 .]" 1
859 1 59 CYS QB 1 61 LEU HG 5.040 . 5.040 3.793 2.045 4.642 . 0 0 "[ . 1 . 2 .]" 1
860 1 60 ASP H 1 60 ASP QB 3.680 . 3.680 3.183 2.272 3.452 . 0 0 "[ . 1 . 2 .]" 1
861 1 60 ASP H 1 61 LEU H 4.100 . 4.100 3.018 2.683 4.144 0.044 25 0 "[ . 1 . 2 .]" 1
862 1 60 ASP QB 1 63 GLN H 4.430 . 4.430 3.382 2.900 4.263 . 0 0 "[ . 1 . 2 .]" 1
863 1 60 ASP HB2 1 63 GLN H 5.050 . 5.050 4.666 4.240 5.108 0.058 19 0 "[ . 1 . 2 .]" 1
864 1 60 ASP HB3 1 63 GLN H 5.050 . 5.050 3.504 2.945 4.764 . 0 0 "[ . 1 . 2 .]" 1
865 1 61 LEU H 1 61 LEU HB2 3.900 . 3.900 2.399 2.218 2.596 . 0 0 "[ . 1 . 2 .]" 1
866 1 61 LEU H 1 61 LEU QB 3.380 . 3.380 2.365 2.195 2.549 . 0 0 "[ . 1 . 2 .]" 1
867 1 61 LEU H 1 61 LEU HB3 3.900 . 3.900 3.599 3.507 3.725 . 0 0 "[ . 1 . 2 .]" 1
868 1 61 LEU H 1 61 LEU QD 4.170 . 4.170 2.439 1.852 3.318 . 0 0 "[ . 1 . 2 .]" 1
869 1 61 LEU H 1 61 LEU HG 4.290 . 4.290 3.618 2.130 4.378 0.088 25 0 "[ . 1 . 2 .]" 1
870 1 61 LEU H 1 62 ASP H 4.370 . 4.370 2.550 2.040 3.027 . 0 0 "[ . 1 . 2 .]" 1
871 1 61 LEU H 1 67 VAL QG 5.440 . 5.440 5.066 4.649 5.521 0.081 13 0 "[ . 1 . 2 .]" 1
872 1 61 LEU HA 1 61 LEU MD1 4.300 . 4.300 2.791 1.923 3.912 . 0 0 "[ . 1 . 2 .]" 1
873 1 61 LEU HA 1 61 LEU QD 3.640 . 3.640 2.329 1.883 2.778 . 0 0 "[ . 1 . 2 .]" 1
874 1 61 LEU HA 1 61 LEU MD2 4.300 . 4.300 3.227 1.988 3.862 . 0 0 "[ . 1 . 2 .]" 1
875 1 61 LEU HA 1 63 GLN H 4.160 . 4.160 4.009 3.431 4.340 0.180 21 0 "[ . 1 . 2 .]" 1
876 1 61 LEU QD 1 67 VAL QG 3.430 . 3.430 1.829 1.644 2.159 . 0 0 "[ . 1 . 2 .]" 1
877 1 61 LEU HG 1 67 VAL MG1 4.920 . 4.920 4.341 3.438 5.052 0.132 9 0 "[ . 1 . 2 .]" 1
878 1 61 LEU HG 1 67 VAL QG 3.780 . 3.780 2.848 2.073 3.841 0.061 16 0 "[ . 1 . 2 .]" 1
879 1 61 LEU HG 1 67 VAL MG2 4.920 . 4.920 2.905 2.080 3.982 . 0 0 "[ . 1 . 2 .]" 1
880 1 62 ASP H 1 62 ASP HB2 4.160 . 4.160 3.071 2.468 3.736 . 0 0 "[ . 1 . 2 .]" 1
881 1 62 ASP H 1 62 ASP QB 3.600 . 3.600 2.369 2.159 2.781 . 0 0 "[ . 1 . 2 .]" 1
882 1 62 ASP H 1 62 ASP HB3 4.160 . 4.160 2.486 2.227 2.869 . 0 0 "[ . 1 . 2 .]" 1
883 1 62 ASP H 1 63 GLN H 4.180 . 4.180 2.301 2.003 2.802 . 0 0 "[ . 1 . 2 .]" 1
884 1 62 ASP HA 1 63 GLN HA 4.780 . 4.780 4.596 4.498 4.717 . 0 0 "[ . 1 . 2 .]" 1
885 1 62 ASP HB2 1 63 GLN H 4.470 . 4.470 4.100 3.618 4.374 . 0 0 "[ . 1 . 2 .]" 1
886 1 62 ASP HB3 1 63 GLN H 4.470 . 4.470 3.199 2.386 4.330 . 0 0 "[ . 1 . 2 .]" 1
887 1 63 GLN H 1 63 GLN HB2 4.040 . 4.040 2.696 2.303 3.080 . 0 0 "[ . 1 . 2 .]" 1
888 1 63 GLN H 1 63 GLN QB 3.520 . 3.520 2.391 2.240 2.612 . 0 0 "[ . 1 . 2 .]" 1
889 1 63 GLN H 1 63 GLN HB3 4.040 . 4.040 2.986 2.362 3.792 . 0 0 "[ . 1 . 2 .]" 1
890 1 63 GLN H 1 63 GLN QG 4.330 . 4.330 3.553 2.462 4.145 . 0 0 "[ . 1 . 2 .]" 1
891 1 63 GLN H 1 64 GLN QB 4.870 . 4.870 4.346 3.957 4.891 0.021 9 0 "[ . 1 . 2 .]" 1
892 1 63 GLN H 1 64 GLN QG 4.660 . 4.660 3.971 3.343 4.490 . 0 0 "[ . 1 . 2 .]" 1
893 1 63 GLN HA 1 63 GLN QG 3.450 . 3.450 2.622 2.344 3.011 . 0 0 "[ . 1 . 2 .]" 1
894 1 63 GLN HA 1 64 GLN QG 5.210 . 5.210 5.014 4.484 5.332 0.122 20 0 "[ . 1 . 2 .]" 1
895 1 63 GLN QB 1 64 GLN QG 4.040 . 4.040 3.114 2.590 3.614 . 0 0 "[ . 1 . 2 .]" 1
896 1 64 GLN HA 1 64 GLN HG2 4.230 . 4.230 3.042 2.492 3.692 . 0 0 "[ . 1 . 2 .]" 1
897 1 64 GLN HA 1 64 GLN QG 3.610 . 3.610 2.901 2.395 3.340 . 0 0 "[ . 1 . 2 .]" 1
898 1 64 GLN HA 1 64 GLN HG3 4.230 . 4.230 3.688 2.997 3.812 . 0 0 "[ . 1 . 2 .]" 1
899 1 66 ILE H 1 66 ILE HB 3.500 . 3.500 2.830 2.608 3.298 . 0 0 "[ . 1 . 2 .]" 1
900 1 66 ILE H 1 66 ILE HG12 4.700 . 4.700 4.529 4.414 4.715 0.015 7 0 "[ . 1 . 2 .]" 1
901 1 66 ILE H 1 66 ILE HG13 4.700 . 4.700 4.547 4.442 4.708 0.008 3 0 "[ . 1 . 2 .]" 1
902 1 66 ILE H 1 66 ILE MG 4.280 . 4.280 2.133 1.917 2.577 . 0 0 "[ . 1 . 2 .]" 1
903 1 66 ILE H 1 67 VAL H 4.820 . 4.820 4.502 4.277 4.581 . 0 0 "[ . 1 . 2 .]" 1
904 1 66 ILE HA 1 66 ILE MD 4.470 . 4.470 3.728 3.606 3.810 . 0 0 "[ . 1 . 2 .]" 1
905 1 66 ILE HA 1 66 ILE HG12 4.210 . 4.210 3.117 3.006 3.179 . 0 0 "[ . 1 . 2 .]" 1
906 1 66 ILE HA 1 66 ILE HG13 4.210 . 4.210 2.377 2.242 2.475 . 0 0 "[ . 1 . 2 .]" 1
907 1 66 ILE HA 1 66 ILE MG 3.550 . 3.550 3.213 3.204 3.224 . 0 0 "[ . 1 . 2 .]" 1
908 1 66 ILE HA 1 67 VAL H 3.340 . 3.340 2.293 2.223 2.376 . 0 0 "[ . 1 . 2 .]" 1
909 1 66 ILE HB 1 66 ILE MD 3.520 . 3.520 2.366 2.297 2.443 . 0 0 "[ . 1 . 2 .]" 1
910 1 66 ILE HB 1 67 VAL H 4.160 . 4.160 4.060 3.966 4.162 0.002 12 0 "[ . 1 . 2 .]" 1
911 1 66 ILE HB 1 68 HIS HD2 5.330 . 5.330 5.169 4.896 5.370 0.040 23 0 "[ . 1 . 2 .]" 1
912 1 66 ILE MD 1 66 ILE MG 3.670 . 3.670 1.950 1.804 2.104 . 0 0 "[ . 1 . 2 .]" 1
913 1 66 ILE MD 1 67 VAL H 4.400 . 4.400 3.918 3.733 4.100 . 0 0 "[ . 1 . 2 .]" 1
914 1 66 ILE MD 1 68 HIS HD2 4.600 . 4.600 4.479 3.989 4.700 0.100 7 0 "[ . 1 . 2 .]" 1
915 1 66 ILE HG12 1 66 ILE MG 3.370 . 3.370 2.298 2.251 2.380 . 0 0 "[ . 1 . 2 .]" 1
916 1 66 ILE HG13 1 66 ILE MG 3.370 . 3.370 3.174 3.165 3.188 . 0 0 "[ . 1 . 2 .]" 1
917 1 66 ILE MG 1 67 VAL H 3.840 . 3.840 3.541 3.339 3.664 . 0 0 "[ . 1 . 2 .]" 1
918 1 66 ILE MG 1 68 HIS H 4.630 . 4.630 4.557 4.048 4.728 0.098 6 0 "[ . 1 . 2 .]" 1
919 1 66 ILE MG 1 68 HIS HD2 4.420 . 4.420 2.255 1.963 2.398 . 0 0 "[ . 1 . 2 .]" 1
920 1 66 ILE MG 1 68 HIS HE1 4.660 . 4.660 4.191 3.785 4.663 0.003 3 0 "[ . 1 . 2 .]" 1
921 1 67 VAL H 1 67 VAL HB 3.730 . 3.730 2.649 2.490 2.800 . 0 0 "[ . 1 . 2 .]" 1
922 1 67 VAL H 1 67 VAL MG1 4.310 . 4.310 3.790 3.775 3.814 . 0 0 "[ . 1 . 2 .]" 1
923 1 67 VAL H 1 67 VAL QG 3.390 . 3.390 1.987 1.849 2.223 . 0 0 "[ . 1 . 2 .]" 1
924 1 67 VAL H 1 67 VAL MG2 4.310 . 4.310 1.994 1.853 2.238 . 0 0 "[ . 1 . 2 .]" 1
925 1 67 VAL HA 1 67 VAL MG1 3.400 . 3.400 2.318 2.254 2.409 . 0 0 "[ . 1 . 2 .]" 1
926 1 67 VAL HA 1 67 VAL MG2 3.400 . 3.400 2.519 2.412 2.622 . 0 0 "[ . 1 . 2 .]" 1
927 1 67 VAL HA 1 68 HIS H 3.300 . 3.300 2.186 2.108 2.257 . 0 0 "[ . 1 . 2 .]" 1
928 1 67 VAL QG 1 68 HIS H 3.710 . 3.710 2.535 2.289 2.969 . 0 0 "[ . 1 . 2 .]" 1
929 1 67 VAL QG 1 68 HIS HD2 4.890 . 4.890 4.404 4.074 4.938 0.048 19 0 "[ . 1 . 2 .]" 1
930 1 68 HIS H 1 68 HIS HB2 3.840 . 3.840 2.490 2.362 2.762 . 0 0 "[ . 1 . 2 .]" 1
931 1 68 HIS H 1 68 HIS HB3 3.840 . 3.840 3.673 3.600 3.760 . 0 0 "[ . 1 . 2 .]" 1
932 1 68 HIS H 1 68 HIS HD2 4.620 . 4.620 3.097 2.432 4.003 . 0 0 "[ . 1 . 2 .]" 1
933 1 68 HIS HA 1 68 HIS HD2 3.580 . 3.580 3.009 2.406 3.428 . 0 0 "[ . 1 . 2 .]" 1
934 1 68 HIS HA 1 69 ILE H 3.400 . 3.400 2.171 2.134 2.302 . 0 0 "[ . 1 . 2 .]" 1
935 1 68 HIS QB 1 69 ILE H 4.280 . 4.280 3.347 2.710 3.538 . 0 0 "[ . 1 . 2 .]" 1
936 1 69 ILE H 1 69 ILE HB 3.940 . 3.940 2.627 2.467 2.828 . 0 0 "[ . 1 . 2 .]" 1
937 1 69 ILE H 1 69 ILE MD 4.540 . 4.540 4.152 3.887 4.397 . 0 0 "[ . 1 . 2 .]" 1
938 1 69 ILE H 1 69 ILE MG 4.720 . 4.720 3.828 3.742 3.905 . 0 0 "[ . 1 . 2 .]" 1
939 1 69 ILE H 1 70 VAL QG 5.280 . 5.280 4.294 3.650 5.109 . 0 0 "[ . 1 . 2 .]" 1
940 1 69 ILE HA 1 69 ILE MD 4.060 . 4.060 3.770 3.734 3.824 . 0 0 "[ . 1 . 2 .]" 1
941 1 69 ILE HA 1 69 ILE MG 3.480 . 3.480 2.426 2.357 2.502 . 0 0 "[ . 1 . 2 .]" 1
942 1 69 ILE HA 1 70 VAL H 3.330 . 3.330 2.123 2.077 2.181 . 0 0 "[ . 1 . 2 .]" 1
943 1 69 ILE HA 1 70 VAL QG 4.260 . 4.260 3.454 3.262 3.696 . 0 0 "[ . 1 . 2 .]" 1
944 1 69 ILE HB 1 69 ILE MD 3.570 . 3.570 2.494 2.447 2.520 . 0 0 "[ . 1 . 2 .]" 1
945 1 69 ILE MD 1 69 ILE MG 3.670 . 3.670 1.888 1.857 1.923 . 0 0 "[ . 1 . 2 .]" 1
946 1 69 ILE QG 1 70 VAL H 4.670 . 4.670 4.085 3.938 4.242 . 0 0 "[ . 1 . 2 .]" 1
947 1 69 ILE MG 1 70 VAL H 3.720 . 3.720 2.720 2.559 2.849 . 0 0 "[ . 1 . 2 .]" 1
948 1 70 VAL H 1 70 VAL QG 3.650 . 3.650 2.251 1.992 2.726 . 0 0 "[ . 1 . 2 .]" 1
949 1 70 VAL HB 1 71 GLN H 4.120 . 4.120 3.619 2.728 4.115 . 0 0 "[ . 1 . 2 .]" 1
950 1 70 VAL QG 1 71 GLN H 4.350 . 4.350 2.717 2.050 3.454 . 0 0 "[ . 1 . 2 .]" 1
951 1 71 GLN H 1 71 GLN HB2 3.910 . 3.910 3.052 2.631 3.789 . 0 0 "[ . 1 . 2 .]" 1
952 1 71 GLN H 1 71 GLN HB3 3.910 . 3.910 2.649 2.377 3.032 . 0 0 "[ . 1 . 2 .]" 1
953 1 71 GLN H 1 71 GLN QG 4.730 . 4.730 3.665 2.131 4.133 . 0 0 "[ . 1 . 2 .]" 1
954 1 71 GLN HA 1 72 ARG H 3.370 . 3.370 2.193 2.097 2.316 . 0 0 "[ . 1 . 2 .]" 1
955 1 71 GLN QB 1 73 PRO QD 4.340 . 4.340 3.459 2.669 4.369 0.029 6 0 "[ . 1 . 2 .]" 1
956 1 71 GLN QG 1 72 ARG H 4.060 . 4.060 2.897 2.122 3.919 . 0 0 "[ . 1 . 2 .]" 1
957 1 71 GLN QG 1 73 PRO QG 4.170 . 4.170 3.168 2.011 4.226 0.056 7 0 "[ . 1 . 2 .]" 1
958 1 72 ARG H 1 72 ARG QG 4.470 . 4.470 3.578 2.294 4.328 . 0 0 "[ . 1 . 2 .]" 1
959 1 72 ARG HA 1 73 PRO HD2 3.290 . 3.290 2.474 2.057 2.745 . 0 0 "[ . 1 . 2 .]" 1
960 1 72 ARG HA 1 73 PRO HD3 3.290 . 3.290 2.195 1.897 2.648 . 0 0 "[ . 1 . 2 .]" 1
961 1 72 ARG QB 1 73 PRO QD 4.330 . 4.330 3.728 3.515 3.848 . 0 0 "[ . 1 . 2 .]" 1
962 1 72 ARG QG 1 73 PRO QD 4.950 . 4.950 3.767 2.862 4.505 . 0 0 "[ . 1 . 2 .]" 1
963 1 73 PRO HA 1 74 TRP H 3.210 . 3.210 2.235 2.119 2.541 . 0 0 "[ . 1 . 2 .]" 1
964 1 73 PRO HA 1 74 TRP HA 4.610 . 4.610 4.409 4.323 4.567 . 0 0 "[ . 1 . 2 .]" 1
965 1 73 PRO QB 1 74 TRP H 3.980 . 3.980 3.234 2.226 3.878 . 0 0 "[ . 1 . 2 .]" 1
966 1 73 PRO QB 1 76 LYS HA 4.570 . 4.570 4.282 3.647 4.710 0.140 25 0 "[ . 1 . 2 .]" 1
967 1 73 PRO QB 1 76 LYS QB 3.250 . 3.250 2.042 1.745 3.127 . 0 0 "[ . 1 . 2 .]" 1
968 1 73 PRO QD 1 76 LYS QB 4.540 . 4.540 4.427 3.889 4.714 0.174 13 0 "[ . 1 . 2 .]" 1
969 1 73 PRO QG 1 76 LYS HB2 4.300 . 4.300 3.332 2.185 4.380 0.080 6 0 "[ . 1 . 2 .]" 1
970 1 73 PRO QG 1 76 LYS QB 3.780 . 3.780 2.924 2.168 3.625 . 0 0 "[ . 1 . 2 .]" 1
971 1 73 PRO QG 1 76 LYS HB3 4.300 . 4.300 3.601 2.517 4.320 0.020 7 0 "[ . 1 . 2 .]" 1
972 1 74 TRP H 1 74 TRP QB 3.650 . 3.650 2.405 2.286 2.600 . 0 0 "[ . 1 . 2 .]" 1
973 1 74 TRP HA 1 74 TRP HD1 3.960 . 3.960 3.160 2.560 4.405 0.445 23 0 "[ . 1 . 2 .]" 1
974 1 74 TRP QB 1 74 TRP HD1 3.280 . 3.280 2.737 2.458 3.154 . 0 0 "[ . 1 . 2 .]" 1
975 1 74 TRP QB 1 74 TRP HE3 3.810 . 3.810 2.464 2.356 2.757 . 0 0 "[ . 1 . 2 .]" 1
976 1 75 ARG H 1 76 LYS H 3.850 . 3.850 2.974 1.985 3.917 0.067 5 0 "[ . 1 . 2 .]" 1
977 1 75 ARG HA 1 75 ARG QG 3.830 . 3.830 2.831 2.333 3.384 . 0 0 "[ . 1 . 2 .]" 1
978 1 75 ARG HA 1 76 LYS H 3.040 . 3.040 2.623 2.143 3.156 0.116 2 0 "[ . 1 . 2 .]" 1
979 1 75 ARG HA 1 76 LYS HA 4.770 . 4.770 4.438 4.297 4.707 . 0 0 "[ . 1 . 2 .]" 1
980 1 76 LYS H 1 76 LYS QD 5.170 . 5.170 4.411 2.804 5.242 0.072 1 0 "[ . 1 . 2 .]" 1
981 1 76 LYS H 1 76 LYS QE 5.500 . 5.500 4.762 4.151 5.915 0.415 24 0 "[ . 1 . 2 .]" 1
982 1 76 LYS HA 1 76 LYS QD 4.680 . 4.680 2.943 1.882 4.518 . 0 0 "[ . 1 . 2 .]" 1
983 1 76 LYS HA 1 76 LYS QE 4.080 . 4.080 3.203 1.794 4.412 0.332 14 0 "[ . 1 . 2 .]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 9:26:56 PM GMT (wattos1)