NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653938 |
6lvt   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lvt
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 877
_Distance_constraint_stats_list.Viol_count 2706
_Distance_constraint_stats_list.Viol_total 6367.852
_Distance_constraint_stats_list.Viol_max 1.871
_Distance_constraint_stats_list.Viol_rms 0.0853
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0182
_Distance_constraint_stats_list.Viol_average_violations_only 0.1177
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 6.285 0.322 16 0 "[ . 1 . 2]"
1 4 ARG 0.510 0.067 7 0 "[ . 1 . 2]"
1 5 GLU 13.570 0.322 16 0 "[ . 1 . 2]"
1 6 GLU 23.529 1.750 13 12 "[ **.*-*****+ .* * 2]"
1 7 ILE 16.285 0.311 2 0 "[ . 1 . 2]"
1 8 PHE 2.137 0.136 11 0 "[ . 1 . 2]"
1 9 SER 3.178 0.222 17 0 "[ . 1 . 2]"
1 10 LYS 19.628 1.750 13 12 "[ **.*-*****+ .* * 2]"
1 11 VAL 3.770 0.123 2 0 "[ . 1 . 2]"
1 12 LYS 45.244 1.665 20 19 "[ ***-**************+]"
1 13 SER 7.133 0.192 2 0 "[ . 1 . 2]"
1 14 ILE 9.190 0.194 11 0 "[ . 1 . 2]"
1 15 ILE 7.882 0.206 4 0 "[ . 1 . 2]"
1 16 SER 9.470 0.331 14 0 "[ . 1 . 2]"
1 17 GLU 24.029 1.871 19 8 "[ .*** 1- * . *+*]"
1 18 LYS 22.462 1.871 19 8 "[ .*** 1- * . *+*]"
1 19 LEU 3.226 0.331 14 0 "[ . 1 . 2]"
1 20 GLY 4.308 0.247 13 0 "[ . 1 . 2]"
1 21 VAL 2.771 0.251 5 0 "[ . 1 . 2]"
1 22 ASP 25.650 1.665 20 16 "[ ***- ********** *+]"
1 23 GLU 21.870 1.266 5 11 "[ ** +* *1** . *-**]"
1 24 SER 0.129 0.059 2 0 "[ . 1 . 2]"
1 25 GLN 11.416 0.251 5 0 "[ . 1 . 2]"
1 26 VAL 10.932 0.485 3 0 "[ . 1 . 2]"
1 27 THR 15.469 0.412 5 0 "[ . 1 . 2]"
1 28 GLU 3.037 0.128 17 0 "[ . 1 . 2]"
1 29 GLU 16.191 0.412 5 0 "[ . 1 . 2]"
1 30 ALA 3.687 0.146 5 0 "[ . 1 . 2]"
1 31 LYS 6.119 0.196 1 0 "[ . 1 . 2]"
1 32 LEU 12.185 0.269 2 0 "[ . 1 . 2]"
1 33 ILE 5.513 0.152 4 0 "[ . 1 . 2]"
1 34 ASP 1.888 0.124 18 0 "[ . 1 . 2]"
1 35 ASP 6.073 0.230 5 0 "[ . 1 . 2]"
1 36 LEU 9.098 0.230 14 0 "[ . 1 . 2]"
1 37 GLY 8.065 0.231 10 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 22.666 0.739 20 11 "[ *- .** **** . * *+]"
1 40 SER 1.135 0.112 3 0 "[ . 1 . 2]"
1 41 LEU 5.054 0.418 13 0 "[ . 1 . 2]"
1 42 ASP 13.603 0.739 20 11 "[ *- .** **** . * *+]"
1 43 LEU 3.464 0.138 5 0 "[ . 1 . 2]"
1 44 VAL 5.358 0.131 1 0 "[ . 1 . 2]"
1 45 ASP 2.067 0.163 14 0 "[ . 1 . 2]"
1 46 LEU 9.175 0.206 4 0 "[ . 1 . 2]"
1 47 VAL 8.678 0.314 5 0 "[ . 1 . 2]"
1 48 MET 1.113 0.163 14 0 "[ . 1 . 2]"
1 49 ASP 4.166 0.194 11 0 "[ . 1 . 2]"
1 50 PHE 7.718 0.231 5 0 "[ . 1 . 2]"
1 51 GLU 6.397 1.026 6 1 "[ .+ 1 . 2]"
1 52 SER 0.602 0.149 5 0 "[ . 1 . 2]"
1 53 GLU 1.251 0.106 14 0 "[ . 1 . 2]"
1 54 PHE 6.890 0.181 8 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 3.223 0.209 11 0 "[ . 1 . 2]"
1 57 LYS 1.506 1.026 6 1 "[ .+ 1 . 2]"
1 58 VAL 6.359 0.317 18 0 "[ . 1 . 2]"
1 59 ASP 15.755 0.792 20 2 "[ . 1 . -+]"
1 60 ASP 2.510 0.185 3 0 "[ . 1 . 2]"
1 61 ALA 4.838 0.487 10 0 "[ . 1 . 2]"
1 62 ASP 7.808 0.317 18 0 "[ . 1 . 2]"
1 63 LEU 6.088 0.272 11 0 "[ . 1 . 2]"
1 64 GLU 4.229 0.185 3 0 "[ . 1 . 2]"
1 65 LYS 5.390 0.792 20 2 "[ . 1 . -+]"
1 66 ILE 3.482 0.157 19 0 "[ . 1 . 2]"
1 67 SER 2.632 0.146 10 0 "[ . 1 . 2]"
1 68 THR 12.165 0.235 4 0 "[ . 1 . 2]"
1 69 VAL 5.031 0.385 4 0 "[ . 1 . 2]"
1 70 GLY 3.964 0.191 17 0 "[ . 1 . 2]"
1 71 ASP 5.544 0.157 19 0 "[ . 1 . 2]"
1 72 ILE 9.747 0.385 4 0 "[ . 1 . 2]"
1 73 VAL 4.153 0.128 17 0 "[ . 1 . 2]"
1 74 SER 4.587 0.277 8 0 "[ . 1 . 2]"
1 75 TYR 9.299 0.225 8 0 "[ . 1 . 2]"
1 76 ILE 17.882 0.311 2 0 "[ . 1 . 2]"
1 77 GLU 8.680 0.277 8 0 "[ . 1 . 2]"
1 78 LYS 2.111 0.131 2 0 "[ . 1 . 2]"
1 79 LYS 4.345 0.731 18 1 "[ . 1 . + 2]"
1 80 LEU 3.285 0.731 18 1 "[ . 1 . + 2]"
1 81 GLY 0.903 0.326 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 SER H 4.920 . 4.920 2.290 2.214 2.539 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 6 GLU HG3 6.350 . 6.350 5.471 4.665 5.936 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 7 ILE MD 5.800 . 5.800 3.952 3.361 5.374 . 0 0 "[ . 1 . 2]" 1
4 1 3 SER H 1 5 GLU HG3 5.350 . 5.350 5.571 5.480 5.672 0.322 16 0 "[ . 1 . 2]" 1
5 1 3 SER H 1 6 GLU HB3 5.050 . 5.050 4.153 3.972 4.646 . 0 0 "[ . 1 . 2]" 1
6 1 3 SER H 1 6 GLU HG3 4.760 . 4.760 3.801 2.701 4.217 . 0 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 7 ILE HA 6.100 . 6.100 5.895 5.752 6.026 . 0 0 "[ . 1 . 2]" 1
8 1 3 SER H 1 77 GLU HG2 5.300 . 5.300 5.090 4.433 5.396 0.096 16 0 "[ . 1 . 2]" 1
9 1 3 SER HA 1 4 ARG H 4.130 . 4.130 2.272 2.254 2.299 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 5 GLU H 4.770 . 4.770 4.167 4.067 4.238 . 0 0 "[ . 1 . 2]" 1
11 1 3 SER HB2 1 4 ARG H 4.790 . 4.790 4.033 2.951 4.273 . 0 0 "[ . 1 . 2]" 1
12 1 3 SER HB3 1 4 ARG H 5.330 . 5.330 3.976 3.927 4.181 . 0 0 "[ . 1 . 2]" 1
13 1 3 SER HB3 1 6 GLU H 5.780 . 5.780 2.766 2.432 4.264 . 0 0 "[ . 1 . 2]" 1
14 1 3 SER O 1 7 ILE H 2.200 . 2.200 2.272 2.185 2.326 0.126 14 0 "[ . 1 . 2]" 1
15 1 3 SER O 1 7 ILE N 3.300 2.700 3.300 3.166 3.103 3.235 . 0 0 "[ . 1 . 2]" 1
16 1 3 SER OG 1 5 GLU H 4.000 . 4.000 3.129 2.956 3.656 . 0 0 "[ . 1 . 2]" 1
17 1 3 SER OG 1 5 GLU N 5.000 . 5.000 3.879 3.829 4.003 . 0 0 "[ . 1 . 2]" 1
18 1 4 ARG H 1 5 GLU H 4.940 . 4.940 2.776 2.702 2.815 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG H 1 7 ILE MD 6.950 . 6.950 5.729 5.527 6.004 . 0 0 "[ . 1 . 2]" 1
20 1 4 ARG HA 1 5 GLU H 4.960 . 4.960 3.537 3.522 3.544 . 0 0 "[ . 1 . 2]" 1
21 1 4 ARG HA 1 7 ILE HB 3.340 . 3.340 3.078 2.858 3.218 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG HA 1 7 ILE HG13 3.610 . 3.610 3.322 3.007 3.663 0.053 17 0 "[ . 1 . 2]" 1
23 1 4 ARG HA 1 7 ILE MG 5.200 . 5.200 4.350 4.223 4.494 . 0 0 "[ . 1 . 2]" 1
24 1 4 ARG HB3 1 5 GLU H 5.160 . 5.160 2.712 2.544 3.612 . 0 0 "[ . 1 . 2]" 1
25 1 4 ARG QD 1 5 GLU H 5.410 . 5.410 4.705 4.554 5.030 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG HH21 1 28 GLU OE2 2.000 . 2.000 1.999 1.876 2.067 0.067 7 0 "[ . 1 . 2]" 1
27 1 4 ARG O 1 8 PHE H 2.200 . 2.200 2.051 1.894 2.235 0.035 14 0 "[ . 1 . 2]" 1
28 1 4 ARG O 1 8 PHE N 3.300 2.800 3.300 2.997 2.823 3.195 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLU H 1 6 GLU H 4.480 . 4.480 2.729 2.702 2.821 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLU H 1 6 GLU HA 5.200 . 5.200 5.305 5.290 5.344 0.144 16 0 "[ . 1 . 2]" 1
31 1 5 GLU H 1 6 GLU HG2 4.910 . 4.910 4.739 4.403 4.986 0.076 14 0 "[ . 1 . 2]" 1
32 1 5 GLU H 1 8 PHE H 5.730 . 5.730 5.055 4.924 5.201 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLU HA 1 6 GLU H 4.440 . 4.440 3.538 3.529 3.592 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLU HA 1 7 ILE H 4.300 . 4.300 4.368 4.199 4.403 0.103 5 0 "[ . 1 . 2]" 1
35 1 5 GLU HA 1 8 PHE H 3.890 . 3.890 3.883 3.697 3.991 0.101 14 0 "[ . 1 . 2]" 1
36 1 5 GLU HA 1 8 PHE QB 3.450 . 3.450 2.981 2.774 3.312 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLU HA 1 9 SER H 4.050 . 4.050 3.772 3.584 4.103 0.053 16 0 "[ . 1 . 2]" 1
38 1 5 GLU QB 1 9 SER QB 6.100 . 6.100 4.178 3.713 4.856 . 0 0 "[ . 1 . 2]" 1
39 1 5 GLU HB2 1 6 GLU H 4.320 . 4.320 3.606 3.567 3.632 . 0 0 "[ . 1 . 2]" 1
40 1 5 GLU HB2 1 6 GLU HA 4.250 . 4.250 4.343 4.270 4.365 0.115 13 0 "[ . 1 . 2]" 1
41 1 5 GLU HB3 1 6 GLU H 4.980 . 4.980 3.909 3.888 3.930 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLU HB3 1 6 GLU HA 5.500 . 5.500 5.561 5.528 5.570 0.070 1 0 "[ . 1 . 2]" 1
43 1 5 GLU HG2 1 6 GLU H 5.420 . 5.420 2.316 2.270 2.378 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLU HG2 1 6 GLU HA 4.550 . 4.550 4.642 4.620 4.683 0.133 16 0 "[ . 1 . 2]" 1
45 1 5 GLU HG3 1 6 GLU H 4.020 . 4.020 2.115 2.048 2.149 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU HG3 1 6 GLU HA 3.950 . 3.950 3.329 3.294 3.393 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLU O 1 9 SER H 2.200 . 2.200 1.930 1.860 2.189 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLU O 1 9 SER N 3.300 2.800 3.300 2.872 2.785 3.141 0.015 20 0 "[ . 1 . 2]" 1
49 1 6 GLU H 1 7 ILE H 4.340 . 4.340 2.701 2.641 2.732 . 0 0 "[ . 1 . 2]" 1
50 1 6 GLU H 1 8 PHE H 5.270 . 5.270 4.625 4.452 4.760 . 0 0 "[ . 1 . 2]" 1
51 1 6 GLU H 1 10 LYS QD 7.800 . 7.800 5.986 5.249 7.591 . 0 0 "[ . 1 . 2]" 1
52 1 6 GLU HA 1 7 ILE H 5.090 . 5.090 3.536 3.494 3.552 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU HA 1 8 PHE QB 6.200 . 6.200 5.472 5.176 5.598 . 0 0 "[ . 1 . 2]" 1
54 1 6 GLU HA 1 9 SER H 3.710 . 3.710 3.810 3.623 3.932 0.222 17 0 "[ . 1 . 2]" 1
55 1 6 GLU HB3 1 7 ILE H 4.720 . 4.720 3.615 3.469 4.123 . 0 0 "[ . 1 . 2]" 1
56 1 6 GLU HB3 1 7 ILE MD 5.550 . 5.550 3.740 3.436 5.022 . 0 0 "[ . 1 . 2]" 1
57 1 6 GLU O 1 10 LYS H 2.200 . 2.200 2.174 2.033 2.267 0.067 17 0 "[ . 1 . 2]" 1
58 1 6 GLU O 1 10 LYS N 3.300 2.800 3.300 3.109 2.984 3.196 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLU OE2 1 10 LYS QZ 2.000 . 2.000 2.707 2.004 3.750 1.750 13 12 "[ **.*-*****+ .* * 2]" 1
60 1 7 ILE H 1 8 PHE H 4.930 . 4.930 2.797 2.725 2.866 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE H 1 8 PHE HA 5.250 . 5.250 5.333 5.292 5.386 0.136 11 0 "[ . 1 . 2]" 1
62 1 7 ILE H 1 54 PHE QE 5.900 . 5.900 5.060 4.549 5.433 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE H 1 76 ILE MD 7.200 . 7.200 5.655 5.586 5.895 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE HA 1 8 PHE H 5.160 . 5.160 3.575 3.566 3.588 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE HA 1 10 LYS HB2 4.550 . 4.550 3.175 2.884 3.440 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE HA 1 11 VAL H 5.690 . 5.690 3.966 3.884 3.997 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE HA 1 11 VAL HB 5.000 . 5.000 5.061 4.968 5.108 0.108 11 0 "[ . 1 . 2]" 1
68 1 7 ILE HA 1 54 PHE QE 4.260 . 4.260 3.438 3.029 3.725 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE HA 1 76 ILE HG13 6.050 . 6.050 6.147 6.070 6.298 0.248 8 0 "[ . 1 . 2]" 1
70 1 7 ILE HB 1 8 PHE H 4.580 . 4.580 2.133 2.066 2.326 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE MD 1 8 PHE H 5.500 . 5.500 4.522 4.490 4.604 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE MD 1 54 PHE HB2 6.150 . 6.150 5.605 5.118 5.929 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE MD 1 54 PHE QD 6.020 . 6.020 3.513 3.054 3.836 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE MD 1 54 PHE QE 4.600 . 4.600 2.207 1.939 2.559 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE MD 1 54 PHE HZ 5.180 . 5.180 2.788 2.571 3.071 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE MD 1 73 VAL HA 5.650 . 5.650 4.651 4.588 4.684 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE MD 1 76 ILE H 5.850 . 5.850 4.782 4.739 4.839 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE MD 1 76 ILE HB 4.370 . 4.370 2.603 2.556 2.646 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE MD 1 76 ILE MD 5.320 . 5.320 2.763 2.663 3.023 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE MD 1 76 ILE HG12 5.400 . 5.400 4.355 4.311 4.459 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE MD 1 76 ILE MG 4.700 . 4.700 1.770 1.762 1.794 0.038 2 0 "[ . 1 . 2]" 1
82 1 7 ILE MD 1 77 GLU H 4.750 . 4.750 3.893 3.703 4.045 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE MD 1 77 GLU HA 4.200 . 4.200 3.275 2.913 3.448 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE MD 1 77 GLU HB2 4.900 . 4.900 4.914 3.839 5.164 0.264 5 0 "[ . 1 . 2]" 1
85 1 7 ILE MD 1 77 GLU HG2 5.550 . 5.550 3.836 3.356 5.301 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE MD 1 77 GLU HG3 6.450 . 6.450 3.884 3.497 5.056 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE HG13 1 76 ILE HA 5.400 . 5.400 5.591 5.411 5.711 0.311 2 0 "[ . 1 . 2]" 1
88 1 7 ILE HG13 1 76 ILE HB 3.760 . 3.760 3.144 3.016 3.272 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE HG13 1 76 ILE MD 5.500 . 5.500 4.374 4.281 4.564 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE MG 1 8 PHE H 4.840 . 4.840 3.199 3.148 3.270 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE MG 1 10 LYS H 6.050 . 6.050 5.018 4.916 5.127 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE MG 1 54 PHE QE 6.050 . 6.050 3.712 3.573 3.901 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE MG 1 54 PHE HZ 6.800 . 6.800 3.335 3.149 3.546 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE MG 1 73 VAL HA 3.990 . 3.990 1.914 1.886 1.935 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE MG 1 76 ILE MD 4.400 . 4.400 1.919 1.868 2.024 . 0 0 "[ . 1 . 2]" 1
96 1 7 ILE MG 1 76 ILE MG 4.850 . 4.850 2.565 2.495 2.644 . 0 0 "[ . 1 . 2]" 1
97 1 7 ILE MG 1 77 GLU H 4.050 . 4.050 3.206 2.777 3.354 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE O 1 11 VAL H 2.200 . 2.200 1.839 1.797 1.871 0.003 10 0 "[ . 1 . 2]" 1
99 1 7 ILE O 1 11 VAL N 3.300 2.800 3.300 2.768 2.735 2.799 0.065 10 0 "[ . 1 . 2]" 1
100 1 8 PHE H 1 9 SER H 4.870 . 4.870 2.967 2.943 3.005 . 0 0 "[ . 1 . 2]" 1
101 1 8 PHE H 1 11 VAL HB 4.800 . 4.800 4.719 4.656 4.790 . 0 0 "[ . 1 . 2]" 1
102 1 8 PHE H 1 54 PHE QE 7.000 . 7.000 6.469 6.116 6.711 . 0 0 "[ . 1 . 2]" 1
103 1 8 PHE H 1 73 VAL MG1 4.900 . 4.900 3.116 2.772 3.351 . 0 0 "[ . 1 . 2]" 1
104 1 8 PHE H 1 73 VAL MG2 4.700 . 4.700 3.459 3.317 3.570 . 0 0 "[ . 1 . 2]" 1
105 1 8 PHE HA 1 9 SER H 4.450 . 4.450 3.598 3.585 3.611 . 0 0 "[ . 1 . 2]" 1
106 1 8 PHE HA 1 11 VAL H 4.320 . 4.320 3.647 3.608 3.688 . 0 0 "[ . 1 . 2]" 1
107 1 8 PHE HA 1 11 VAL HB 3.240 . 3.240 2.496 2.412 2.580 . 0 0 "[ . 1 . 2]" 1
108 1 8 PHE HA 1 12 LYS H 4.320 . 4.320 3.887 3.788 4.009 . 0 0 "[ . 1 . 2]" 1
109 1 8 PHE QB 1 9 SER H 4.490 . 4.490 2.505 2.448 2.538 . 0 0 "[ . 1 . 2]" 1
110 1 8 PHE QB 1 11 VAL H 5.800 . 5.800 5.085 5.066 5.118 . 0 0 "[ . 1 . 2]" 1
111 1 8 PHE QB 1 12 LYS QD 7.900 . 7.900 6.555 6.290 6.860 . 0 0 "[ . 1 . 2]" 1
112 1 8 PHE O 1 12 LYS H 2.200 . 2.200 1.932 1.886 1.983 . 0 0 "[ . 1 . 2]" 1
113 1 8 PHE O 1 12 LYS N 3.300 2.800 3.300 2.872 2.825 2.923 . 0 0 "[ . 1 . 2]" 1
114 1 9 SER H 1 10 LYS H 4.700 . 4.700 2.821 2.794 2.857 . 0 0 "[ . 1 . 2]" 1
115 1 9 SER H 1 11 VAL H 4.710 . 4.710 4.139 4.109 4.161 . 0 0 "[ . 1 . 2]" 1
116 1 9 SER H 1 12 LYS H 4.710 . 4.710 4.750 4.717 4.795 0.085 2 0 "[ . 1 . 2]" 1
117 1 9 SER O 1 13 SER H 2.200 . 2.200 2.176 2.104 2.250 0.050 2 0 "[ . 1 . 2]" 1
118 1 9 SER O 1 13 SER N 3.300 2.800 3.300 3.045 2.970 3.132 . 0 0 "[ . 1 . 2]" 1
119 1 10 LYS H 1 11 VAL H 4.610 . 4.610 2.599 2.558 2.630 . 0 0 "[ . 1 . 2]" 1
120 1 10 LYS H 1 76 ILE MD 7.200 . 7.200 5.905 5.655 6.151 . 0 0 "[ . 1 . 2]" 1
121 1 10 LYS HA 1 11 VAL H 5.110 . 5.110 3.519 3.512 3.530 . 0 0 "[ . 1 . 2]" 1
122 1 10 LYS HA 1 12 LYS H 4.350 . 4.350 4.435 4.407 4.474 0.124 14 0 "[ . 1 . 2]" 1
123 1 10 LYS HA 1 13 SER H 3.760 . 3.760 3.265 3.200 3.309 . 0 0 "[ . 1 . 2]" 1
124 1 10 LYS HA 1 14 ILE H 4.710 . 4.710 4.500 4.445 4.543 . 0 0 "[ . 1 . 2]" 1
125 1 10 LYS HB2 1 11 VAL MG2 4.500 . 4.500 3.389 3.244 3.685 . 0 0 "[ . 1 . 2]" 1
126 1 10 LYS HB2 1 54 PHE QD 5.850 . 5.850 5.700 5.379 5.924 0.074 2 0 "[ . 1 . 2]" 1
127 1 10 LYS HB2 1 54 PHE HZ 4.680 . 4.680 2.600 2.122 2.912 . 0 0 "[ . 1 . 2]" 1
128 1 10 LYS HB3 1 11 VAL H 4.960 . 4.960 3.543 3.360 3.672 . 0 0 "[ . 1 . 2]" 1
129 1 10 LYS HB3 1 13 SER H 5.000 . 5.000 5.122 5.083 5.153 0.153 13 0 "[ . 1 . 2]" 1
130 1 10 LYS HB3 1 14 ILE MD 5.900 . 5.900 4.785 4.665 4.859 . 0 0 "[ . 1 . 2]" 1
131 1 10 LYS HB3 1 53 GLU HB3 5.160 . 5.160 5.149 4.704 5.266 0.106 14 0 "[ . 1 . 2]" 1
132 1 10 LYS O 1 14 ILE H 2.350 . 2.350 2.357 2.313 2.378 0.028 20 0 "[ . 1 . 2]" 1
133 1 10 LYS O 1 14 ILE N 3.300 2.800 3.300 3.248 3.193 3.269 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL H 1 12 LYS HB2 5.410 . 5.410 5.049 4.991 5.113 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL H 1 13 SER H 3.900 . 3.900 3.971 3.930 4.023 0.123 2 0 "[ . 1 . 2]" 1
136 1 11 VAL HA 1 12 LYS H 4.920 . 4.920 3.544 3.527 3.549 . 0 0 "[ . 1 . 2]" 1
137 1 11 VAL HA 1 13 SER H 5.450 . 5.450 4.312 4.282 4.385 . 0 0 "[ . 1 . 2]" 1
138 1 11 VAL HA 1 14 ILE H 5.010 . 5.010 3.658 3.588 3.721 . 0 0 "[ . 1 . 2]" 1
139 1 11 VAL HA 1 54 PHE QE 6.300 . 6.300 4.494 4.169 4.769 . 0 0 "[ . 1 . 2]" 1
140 1 11 VAL HB 1 12 LYS H 4.640 . 4.640 2.601 2.561 2.630 . 0 0 "[ . 1 . 2]" 1
141 1 11 VAL MG1 1 73 VAL HA 5.700 . 5.700 4.242 3.922 4.505 . 0 0 "[ . 1 . 2]" 1
142 1 11 VAL MG2 1 12 LYS H 4.700 . 4.700 3.932 3.891 3.948 . 0 0 "[ . 1 . 2]" 1
143 1 11 VAL MG2 1 50 PHE QD 4.880 . 4.880 3.548 3.349 3.718 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL MG2 1 54 PHE HZ 5.350 . 5.350 3.444 3.247 3.670 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL MG2 1 72 ILE MG 3.800 . 3.800 2.100 1.896 2.425 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL O 1 15 ILE H 2.200 . 2.200 2.207 2.097 2.289 0.089 19 0 "[ . 1 . 2]" 1
147 1 11 VAL O 1 15 ILE N 3.300 2.800 3.300 3.186 3.075 3.272 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS H 1 13 SER H 4.600 . 4.600 2.654 2.641 2.702 . 0 0 "[ . 1 . 2]" 1
149 1 12 LYS H 1 14 ILE H 4.840 . 4.840 4.405 4.342 4.444 . 0 0 "[ . 1 . 2]" 1
150 1 12 LYS H 1 26 VAL MG1 5.600 . 5.600 4.500 4.231 4.745 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS HA 1 13 SER H 5.200 . 5.200 3.548 3.540 3.572 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS HA 1 14 ILE H 4.300 . 4.300 4.380 4.286 4.440 0.140 3 0 "[ . 1 . 2]" 1
153 1 12 LYS HA 1 15 ILE H 4.340 . 4.340 3.629 3.556 3.708 . 0 0 "[ . 1 . 2]" 1
154 1 12 LYS HA 1 15 ILE HB 4.110 . 4.110 2.704 2.602 2.815 . 0 0 "[ . 1 . 2]" 1
155 1 12 LYS HB2 1 13 SER H 5.310 . 5.310 3.914 3.862 3.959 . 0 0 "[ . 1 . 2]" 1
156 1 12 LYS HB2 1 23 GLU HA 4.550 . 4.550 4.655 4.606 4.705 0.155 19 0 "[ . 1 . 2]" 1
157 1 12 LYS HB3 1 15 ILE H 5.750 . 5.750 5.861 5.833 5.923 0.173 10 0 "[ . 1 . 2]" 1
158 1 12 LYS QD 1 23 GLU HA 4.650 . 4.650 3.979 3.557 4.187 . 0 0 "[ . 1 . 2]" 1
159 1 12 LYS QD 1 26 VAL HA 7.900 . 7.900 7.527 7.267 7.625 . 0 0 "[ . 1 . 2]" 1
160 1 12 LYS QD 1 26 VAL HB 5.050 . 5.050 5.098 4.715 5.247 0.197 15 0 "[ . 1 . 2]" 1
161 1 12 LYS QD 1 26 VAL MG2 5.550 . 5.550 4.248 4.010 4.392 . 0 0 "[ . 1 . 2]" 1
162 1 12 LYS QE 1 21 VAL HB 5.550 . 5.550 5.445 5.269 5.565 0.015 17 0 "[ . 1 . 2]" 1
163 1 12 LYS QE 1 23 GLU H 4.200 . 4.200 2.166 1.892 2.609 . 0 0 "[ . 1 . 2]" 1
164 1 12 LYS QE 1 23 GLU HA 5.080 . 5.080 3.184 2.517 3.625 . 0 0 "[ . 1 . 2]" 1
165 1 12 LYS QG 1 26 VAL H 5.950 . 5.950 4.925 4.613 5.209 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS QZ 1 22 ASP OD2 2.500 . 2.500 3.579 2.469 4.165 1.665 20 16 "[ ***- ********** *+]" 1
167 1 12 LYS QZ 1 23 GLU OE2 2.500 . 2.500 3.084 1.852 3.766 1.266 5 11 "[ ** +* *1** . *-**]" 1
168 1 12 LYS O 1 16 SER H 2.200 . 2.200 1.812 1.793 1.832 0.007 1 0 "[ . 1 . 2]" 1
169 1 12 LYS O 1 16 SER N 3.300 2.800 3.300 2.731 2.704 2.757 0.096 1 0 "[ . 1 . 2]" 1
170 1 13 SER H 1 14 ILE H 4.840 . 4.840 2.848 2.807 2.871 . 0 0 "[ . 1 . 2]" 1
171 1 13 SER HA 1 16 SER H 4.140 . 4.140 4.087 4.017 4.186 0.046 6 0 "[ . 1 . 2]" 1
172 1 13 SER HA 1 17 GLU H 3.790 . 3.790 3.826 3.750 3.930 0.140 9 0 "[ . 1 . 2]" 1
173 1 13 SER HA 1 17 GLU HB3 4.600 . 4.600 4.538 3.950 4.792 0.192 2 0 "[ . 1 . 2]" 1
174 1 13 SER QB 1 14 ILE H 4.560 . 4.560 2.647 2.574 3.502 . 0 0 "[ . 1 . 2]" 1
175 1 13 SER O 1 17 GLU H 2.300 . 2.300 2.289 2.202 2.363 0.063 6 0 "[ . 1 . 2]" 1
176 1 13 SER O 1 17 GLU N 3.300 2.800 3.300 3.124 3.032 3.199 . 0 0 "[ . 1 . 2]" 1
177 1 14 ILE H 1 15 ILE H 4.860 . 4.860 2.640 2.623 2.655 . 0 0 "[ . 1 . 2]" 1
178 1 14 ILE H 1 15 ILE HA 5.150 . 5.150 5.247 5.236 5.258 0.108 10 0 "[ . 1 . 2]" 1
179 1 14 ILE H 1 15 ILE MD 5.900 . 5.900 4.890 4.793 4.962 . 0 0 "[ . 1 . 2]" 1
180 1 14 ILE H 1 49 ASP HB3 5.700 . 5.700 5.852 5.795 5.894 0.194 11 0 "[ . 1 . 2]" 1
181 1 14 ILE H 1 50 PHE QD 6.400 . 6.400 5.216 5.116 5.413 . 0 0 "[ . 1 . 2]" 1
182 1 14 ILE HA 1 15 ILE H 5.210 . 5.210 3.578 3.569 3.588 . 0 0 "[ . 1 . 2]" 1
183 1 14 ILE HA 1 17 GLU H 5.270 . 5.270 3.860 3.689 3.965 . 0 0 "[ . 1 . 2]" 1
184 1 14 ILE HA 1 18 LYS H 5.220 . 5.220 4.107 3.853 4.276 . 0 0 "[ . 1 . 2]" 1
185 1 14 ILE HB 1 15 ILE H 4.750 . 4.750 2.384 2.335 2.437 . 0 0 "[ . 1 . 2]" 1
186 1 14 ILE MD 1 17 GLU HB3 5.250 . 5.250 4.460 3.998 5.167 . 0 0 "[ . 1 . 2]" 1
187 1 14 ILE MD 1 49 ASP HB2 4.600 . 4.600 3.729 3.578 3.826 . 0 0 "[ . 1 . 2]" 1
188 1 14 ILE MD 1 49 ASP HB3 4.420 . 4.420 3.281 3.039 3.482 . 0 0 "[ . 1 . 2]" 1
189 1 14 ILE MD 1 53 GLU HG2 6.500 . 6.500 4.592 3.973 5.828 . 0 0 "[ . 1 . 2]" 1
190 1 14 ILE HG12 1 15 ILE H 4.130 . 4.130 4.091 4.033 4.151 0.021 4 0 "[ . 1 . 2]" 1
191 1 14 ILE HG13 1 50 PHE H 4.250 . 4.250 4.345 4.284 4.423 0.173 10 0 "[ . 1 . 2]" 1
192 1 14 ILE MG 1 18 LYS H 6.060 . 6.060 4.258 3.999 4.401 . 0 0 "[ . 1 . 2]" 1
193 1 14 ILE MG 1 46 LEU H 5.600 . 5.600 4.691 4.313 4.899 . 0 0 "[ . 1 . 2]" 1
194 1 14 ILE MG 1 49 ASP H 4.950 . 4.950 3.909 3.776 4.060 . 0 0 "[ . 1 . 2]" 1
195 1 14 ILE MG 1 49 ASP HB2 4.460 . 4.460 2.435 2.360 2.614 . 0 0 "[ . 1 . 2]" 1
196 1 14 ILE MG 1 49 ASP HB3 4.420 . 4.420 2.058 1.955 2.364 . 0 0 "[ . 1 . 2]" 1
197 1 14 ILE MG 1 50 PHE H 5.600 . 5.600 4.153 3.920 4.401 . 0 0 "[ . 1 . 2]" 1
198 1 14 ILE O 1 18 LYS H 2.200 . 2.200 2.152 1.877 2.284 0.084 10 0 "[ . 1 . 2]" 1
199 1 14 ILE O 1 18 LYS N 3.300 2.800 3.300 3.055 2.783 3.202 0.017 14 0 "[ . 1 . 2]" 1
200 1 15 ILE H 1 16 SER H 4.750 . 4.750 2.816 2.761 2.857 . 0 0 "[ . 1 . 2]" 1
201 1 15 ILE H 1 17 GLU H 6.600 . 6.600 4.220 4.144 4.298 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE H 1 46 LEU HA 5.550 . 5.550 5.661 5.497 5.747 0.197 10 0 "[ . 1 . 2]" 1
203 1 15 ILE H 1 46 LEU QD 4.900 . 4.900 3.232 3.050 3.906 . 0 0 "[ . 1 . 2]" 1
204 1 15 ILE H 1 50 PHE QD 6.650 . 6.650 6.007 5.903 6.222 . 0 0 "[ . 1 . 2]" 1
205 1 15 ILE H 1 50 PHE QE 5.820 . 5.820 3.757 3.635 4.018 . 0 0 "[ . 1 . 2]" 1
206 1 15 ILE HA 1 16 SER H 5.530 . 5.530 3.553 3.535 3.571 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE HA 1 18 LYS H 4.650 . 4.650 3.848 3.674 3.957 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE HB 1 16 SER H 4.430 . 4.430 2.481 2.431 2.545 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE HB 1 69 VAL MG1 6.600 . 6.600 5.174 4.625 5.443 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE MD 1 26 VAL HA 6.200 . 6.200 4.888 4.575 5.267 . 0 0 "[ . 1 . 2]" 1
211 1 15 ILE MD 1 27 THR H 7.100 . 7.100 5.737 5.339 6.171 . 0 0 "[ . 1 . 2]" 1
212 1 15 ILE HG12 1 16 SER H 5.290 . 5.290 4.997 4.975 5.030 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE HG12 1 50 PHE HZ 5.650 . 5.650 3.527 3.277 3.931 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE HG13 1 46 LEU HB2 4.950 . 4.950 4.985 4.871 5.156 0.206 4 0 "[ . 1 . 2]" 1
215 1 15 ILE HG13 1 50 PHE HZ 5.080 . 5.080 2.330 2.154 2.579 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE MG 1 19 LEU H 5.350 . 5.350 4.277 4.118 4.418 . 0 0 "[ . 1 . 2]" 1
217 1 15 ILE MG 1 19 LEU HA 6.700 . 6.700 5.374 5.169 5.508 . 0 0 "[ . 1 . 2]" 1
218 1 15 ILE MG 1 19 LEU HB2 4.050 . 4.050 3.196 3.080 3.426 . 0 0 "[ . 1 . 2]" 1
219 1 15 ILE MG 1 36 LEU HB2 5.150 . 5.150 4.307 4.146 4.475 . 0 0 "[ . 1 . 2]" 1
220 1 15 ILE MG 1 36 LEU HB3 4.580 . 4.580 3.781 3.558 3.909 . 0 0 "[ . 1 . 2]" 1
221 1 15 ILE MG 1 50 PHE HZ 5.900 . 5.900 4.959 4.791 5.249 . 0 0 "[ . 1 . 2]" 1
222 1 15 ILE O 1 19 LEU H 2.200 . 2.200 2.064 1.930 2.209 0.009 13 0 "[ . 1 . 2]" 1
223 1 15 ILE O 1 19 LEU N 3.300 2.800 3.300 2.841 2.765 2.938 0.035 14 0 "[ . 1 . 2]" 1
224 1 16 SER H 1 17 GLU H 4.750 . 4.750 2.685 2.625 2.747 . 0 0 "[ . 1 . 2]" 1
225 1 16 SER H 1 17 GLU HB3 4.980 . 4.980 4.910 4.780 5.085 0.105 9 0 "[ . 1 . 2]" 1
226 1 16 SER H 1 26 VAL MG1 7.100 . 7.100 5.825 5.206 6.126 . 0 0 "[ . 1 . 2]" 1
227 1 16 SER HA 1 17 GLU H 4.910 . 4.910 3.519 3.499 3.550 . 0 0 "[ . 1 . 2]" 1
228 1 16 SER HA 1 18 LYS H 4.400 . 4.400 4.463 4.283 4.542 0.142 8 0 "[ . 1 . 2]" 1
229 1 16 SER HA 1 19 LEU H 4.230 . 4.230 3.559 3.464 3.672 . 0 0 "[ . 1 . 2]" 1
230 1 16 SER HA 1 19 LEU HG 4.850 . 4.850 4.980 4.883 5.181 0.331 14 0 "[ . 1 . 2]" 1
231 1 16 SER HA 1 20 GLY H 4.390 . 4.390 3.375 3.214 3.520 . 0 0 "[ . 1 . 2]" 1
232 1 16 SER QB 1 17 GLU H 4.390 . 4.390 2.636 2.571 2.698 . 0 0 "[ . 1 . 2]" 1
233 1 16 SER QB 1 19 LEU H 5.500 . 5.500 4.962 4.822 5.105 . 0 0 "[ . 1 . 2]" 1
234 1 16 SER HG 1 21 VAL O 2.000 . 2.000 1.895 1.848 2.001 0.001 9 0 "[ . 1 . 2]" 1
235 1 16 SER O 1 20 GLY H 2.200 . 2.200 1.904 1.856 1.964 . 0 0 "[ . 1 . 2]" 1
236 1 16 SER O 1 20 GLY N 3.300 2.700 3.300 2.652 2.619 2.673 0.081 14 0 "[ . 1 . 2]" 1
237 1 16 SER O 1 21 VAL H 2.350 . 2.350 2.462 2.403 2.522 0.172 6 0 "[ . 1 . 2]" 1
238 1 16 SER O 1 21 VAL N 3.300 2.700 3.300 3.281 3.203 3.345 0.045 6 0 "[ . 1 . 2]" 1
239 1 17 GLU H 1 18 LYS H 4.510 . 4.510 2.607 2.481 2.684 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLU H 1 18 LYS HA 5.150 . 5.150 5.241 5.158 5.286 0.136 13 0 "[ . 1 . 2]" 1
241 1 17 GLU H 1 18 LYS QD 7.050 . 7.050 5.384 3.806 6.640 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLU H 1 19 LEU H 5.240 . 5.240 3.936 3.847 4.028 . 0 0 "[ . 1 . 2]" 1
243 1 17 GLU H 1 20 GLY H 4.350 . 4.350 4.449 4.343 4.506 0.156 13 0 "[ . 1 . 2]" 1
244 1 17 GLU HA 1 18 LYS H 4.880 . 4.880 3.536 3.490 3.560 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLU HA 1 20 GLY H 4.070 . 4.070 3.841 3.636 3.982 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLU HB2 1 18 LYS H 4.720 . 4.720 3.977 3.901 4.153 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU HB3 1 18 LYS H 4.600 . 4.600 3.058 2.587 4.085 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU HG3 1 18 LYS HA 4.850 . 4.850 4.564 3.443 4.999 0.149 14 0 "[ . 1 . 2]" 1
249 1 17 GLU OE2 1 18 LYS QZ 2.500 . 2.500 3.163 2.112 4.371 1.871 19 8 "[ .*** 1- * . *+*]" 1
250 1 18 LYS H 1 19 LEU H 4.680 . 4.680 2.412 2.314 2.466 . 0 0 "[ . 1 . 2]" 1
251 1 18 LYS H 1 19 LEU QD 6.050 . 6.050 4.704 3.520 5.496 . 0 0 "[ . 1 . 2]" 1
252 1 18 LYS H 1 20 GLY H 5.130 . 5.130 3.820 3.616 3.936 . 0 0 "[ . 1 . 2]" 1
253 1 18 LYS H 1 46 LEU QD 6.300 . 6.300 3.953 3.431 4.229 . 0 0 "[ . 1 . 2]" 1
254 1 18 LYS HA 1 19 LEU H 5.080 . 5.080 3.465 3.419 3.511 . 0 0 "[ . 1 . 2]" 1
255 1 18 LYS HA 1 20 GLY H 4.390 . 4.390 4.434 4.389 4.536 0.146 14 0 "[ . 1 . 2]" 1
256 1 18 LYS HB2 1 19 LEU H 5.200 . 5.200 3.194 2.898 3.928 . 0 0 "[ . 1 . 2]" 1
257 1 18 LYS HB2 1 46 LEU QD 5.050 . 5.050 2.593 2.000 3.317 . 0 0 "[ . 1 . 2]" 1
258 1 18 LYS HB3 1 19 LEU QD 5.350 . 5.350 3.955 2.984 5.077 . 0 0 "[ . 1 . 2]" 1
259 1 18 LYS HB3 1 46 LEU QD 5.250 . 5.250 3.403 2.405 4.083 . 0 0 "[ . 1 . 2]" 1
260 1 18 LYS QD 1 46 LEU H 5.600 . 5.600 5.406 4.353 5.761 0.161 17 0 "[ . 1 . 2]" 1
261 1 18 LYS QD 1 46 LEU HA 4.600 . 4.600 4.127 3.490 4.786 0.186 5 0 "[ . 1 . 2]" 1
262 1 18 LYS QG 1 19 LEU H 4.750 . 4.750 4.347 4.004 4.721 . 0 0 "[ . 1 . 2]" 1
263 1 18 LYS QZ 1 49 ASP OD2 2.500 . 2.500 2.258 1.875 2.489 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU H 1 20 GLY H 4.400 . 4.400 2.124 2.042 2.199 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU H 1 21 VAL H 4.780 . 4.780 3.848 3.739 4.082 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU HA 1 20 GLY H 5.100 . 5.100 3.460 3.442 3.476 . 0 0 "[ . 1 . 2]" 1
267 1 19 LEU HB2 1 20 GLY H 5.020 . 5.020 3.439 2.981 4.199 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU QD 1 20 GLY H 5.650 . 5.650 4.230 3.884 4.327 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU QD 1 42 ASP HA 6.850 . 6.850 5.008 4.281 6.035 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU QD 1 42 ASP HB2 5.750 . 5.750 4.104 3.439 4.806 . 0 0 "[ . 1 . 2]" 1
271 1 19 LEU HG 1 20 GLY H 5.020 . 5.020 4.467 4.169 5.267 0.247 13 0 "[ . 1 . 2]" 1
272 1 20 GLY H 1 21 VAL H 4.510 . 4.510 2.519 2.408 2.611 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLY H 1 21 VAL MG2 5.170 . 5.170 3.752 3.414 3.881 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLY QA 1 21 VAL H 5.350 . 5.350 2.680 2.648 2.720 . 0 0 "[ . 1 . 2]" 1
275 1 21 VAL HA 1 22 ASP H 3.700 . 3.700 2.243 2.218 2.275 . 0 0 "[ . 1 . 2]" 1
276 1 21 VAL HB 1 22 ASP H 4.030 . 4.030 3.889 2.807 4.068 0.038 8 0 "[ . 1 . 2]" 1
277 1 21 VAL HB 1 26 VAL MG2 4.750 . 4.750 4.134 3.845 4.302 . 0 0 "[ . 1 . 2]" 1
278 1 21 VAL MG1 1 22 ASP H 4.570 . 4.570 2.344 2.204 3.153 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL MG1 1 25 GLN H 4.150 . 4.150 3.188 3.058 4.401 0.251 5 0 "[ . 1 . 2]" 1
280 1 21 VAL MG2 1 22 ASP H 4.630 . 4.630 3.989 3.929 4.107 . 0 0 "[ . 1 . 2]" 1
281 1 22 ASP H 1 23 GLU H 5.320 . 5.320 4.528 4.508 4.538 . 0 0 "[ . 1 . 2]" 1
282 1 22 ASP H 1 25 GLN H 4.540 . 4.540 4.295 3.989 4.367 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASP H 1 25 GLN HG3 4.390 . 4.390 4.462 4.362 4.542 0.152 16 0 "[ . 1 . 2]" 1
284 1 22 ASP HA 1 23 GLU H 3.600 . 3.600 2.192 2.156 2.274 . 0 0 "[ . 1 . 2]" 1
285 1 22 ASP HA 1 23 GLU QB 5.390 . 5.390 4.330 4.173 4.446 . 0 0 "[ . 1 . 2]" 1
286 1 22 ASP HA 1 24 SER H 4.410 . 4.410 4.121 4.034 4.227 . 0 0 "[ . 1 . 2]" 1
287 1 22 ASP HA 1 25 GLN H 4.950 . 4.950 5.076 5.007 5.124 0.174 6 0 "[ . 1 . 2]" 1
288 1 22 ASP QB 1 23 GLU H 4.560 . 4.560 2.932 2.529 3.364 . 0 0 "[ . 1 . 2]" 1
289 1 22 ASP QB 1 25 GLN H 4.400 . 4.400 4.026 3.798 4.211 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASP O 1 25 GLN H 2.200 . 2.200 1.944 1.875 2.004 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASP O 1 25 GLN N 3.300 2.700 3.300 2.867 2.811 2.918 . 0 0 "[ . 1 . 2]" 1
292 1 23 GLU H 1 24 SER H 4.800 . 4.800 3.090 3.058 3.126 . 0 0 "[ . 1 . 2]" 1
293 1 23 GLU H 1 26 VAL H 6.300 . 6.300 4.912 4.824 5.086 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLU HA 1 25 GLN H 4.940 . 4.940 4.028 3.898 4.300 . 0 0 "[ . 1 . 2]" 1
295 1 23 GLU HA 1 26 VAL H 3.760 . 3.760 2.882 2.762 3.169 . 0 0 "[ . 1 . 2]" 1
296 1 23 GLU HA 1 26 VAL HB 3.770 . 3.770 2.142 2.059 2.419 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLU HA 1 26 VAL MG1 4.700 . 4.700 3.588 3.475 3.813 . 0 0 "[ . 1 . 2]" 1
298 1 23 GLU HA 1 26 VAL MG2 3.390 . 3.390 2.368 2.098 3.010 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLU QB 1 24 SER H 4.660 . 4.660 3.374 2.922 3.814 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLU QG 1 24 SER H 5.240 . 5.240 3.574 2.529 4.586 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLU QG 1 26 VAL H 4.500 . 4.500 4.624 4.570 4.732 0.232 14 0 "[ . 1 . 2]" 1
302 1 23 GLU QG 1 26 VAL HA 6.150 . 6.150 6.248 5.781 6.635 0.485 3 0 "[ . 1 . 2]" 1
303 1 23 GLU QG 1 26 VAL MG2 5.300 . 5.300 4.093 3.382 4.700 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLU O 1 26 VAL H 2.200 . 2.200 2.085 1.989 2.246 0.046 5 0 "[ . 1 . 2]" 1
305 1 23 GLU O 1 26 VAL N 3.300 2.700 3.300 2.757 2.649 2.931 0.051 1 0 "[ . 1 . 2]" 1
306 1 24 SER H 1 25 GLN H 4.630 . 4.630 2.750 2.684 2.859 . 0 0 "[ . 1 . 2]" 1
307 1 24 SER H 1 25 GLN HG2 5.240 . 5.240 4.803 4.721 4.912 . 0 0 "[ . 1 . 2]" 1
308 1 24 SER H 1 26 VAL H 3.950 . 3.950 3.856 3.748 4.009 0.059 2 0 "[ . 1 . 2]" 1
309 1 24 SER H 1 26 VAL MG2 6.050 . 6.050 4.658 4.509 4.955 . 0 0 "[ . 1 . 2]" 1
310 1 24 SER HA 1 25 GLN H 5.120 . 5.120 3.540 3.524 3.590 . 0 0 "[ . 1 . 2]" 1
311 1 25 GLN H 1 26 VAL H 4.360 . 4.360 2.438 2.352 2.519 . 0 0 "[ . 1 . 2]" 1
312 1 25 GLN H 1 26 VAL MG2 4.900 . 4.900 3.710 3.614 3.808 . 0 0 "[ . 1 . 2]" 1
313 1 25 GLN HA 1 26 VAL H 5.230 . 5.230 3.462 3.436 3.492 . 0 0 "[ . 1 . 2]" 1
314 1 25 GLN HB3 1 26 VAL H 4.880 . 4.880 3.882 3.813 3.992 . 0 0 "[ . 1 . 2]" 1
315 1 25 GLN HB3 1 26 VAL HA 4.510 . 4.510 4.435 4.377 4.494 . 0 0 "[ . 1 . 2]" 1
316 1 25 GLN HE21 1 35 ASP HA 4.600 . 4.600 4.669 4.618 4.751 0.151 5 0 "[ . 1 . 2]" 1
317 1 25 GLN HE21 1 36 LEU HB2 4.900 . 4.900 5.041 4.947 5.130 0.230 14 0 "[ . 1 . 2]" 1
318 1 25 GLN HE21 1 36 LEU HB3 4.790 . 4.790 4.888 4.824 4.926 0.136 3 0 "[ . 1 . 2]" 1
319 1 25 GLN HG2 1 26 VAL H 4.500 . 4.500 4.552 4.524 4.601 0.101 5 0 "[ . 1 . 2]" 1
320 1 26 VAL H 1 27 THR H 5.500 . 5.500 4.479 4.455 4.504 . 0 0 "[ . 1 . 2]" 1
321 1 26 VAL H 1 30 ALA MB 6.000 . 6.000 4.898 4.794 5.063 . 0 0 "[ . 1 . 2]" 1
322 1 26 VAL H 1 36 LEU HG 5.000 . 5.000 5.054 5.023 5.105 0.105 1 0 "[ . 1 . 2]" 1
323 1 26 VAL HA 1 27 THR H 3.840 . 3.840 2.147 2.115 2.166 . 0 0 "[ . 1 . 2]" 1
324 1 26 VAL HA 1 30 ALA MB 4.490 . 4.490 3.242 3.158 3.389 . 0 0 "[ . 1 . 2]" 1
325 1 26 VAL MG1 1 27 THR H 4.920 . 4.920 2.816 2.729 2.864 . 0 0 "[ . 1 . 2]" 1
326 1 27 THR H 1 30 ALA H 4.350 . 4.350 3.453 3.399 3.532 . 0 0 "[ . 1 . 2]" 1
327 1 27 THR H 1 30 ALA MB 3.450 . 3.450 1.984 1.919 2.164 . 0 0 "[ . 1 . 2]" 1
328 1 27 THR H 1 32 LEU HG 5.700 . 5.700 5.896 5.627 5.969 0.269 2 0 "[ . 1 . 2]" 1
329 1 27 THR H 1 69 VAL MG1 5.100 . 5.100 3.888 3.841 4.038 . 0 0 "[ . 1 . 2]" 1
330 1 27 THR HA 1 28 GLU H 4.120 . 4.120 2.270 2.260 2.276 . 0 0 "[ . 1 . 2]" 1
331 1 27 THR HA 1 29 GLU H 5.120 . 5.120 3.885 3.862 3.916 . 0 0 "[ . 1 . 2]" 1
332 1 27 THR HB 1 28 GLU H 4.160 . 4.160 3.560 3.539 3.597 . 0 0 "[ . 1 . 2]" 1
333 1 27 THR HB 1 29 GLU H 3.570 . 3.570 2.659 2.637 2.685 . 0 0 "[ . 1 . 2]" 1
334 1 27 THR HB 1 30 ALA H 4.570 . 4.570 1.949 1.907 2.034 . 0 0 "[ . 1 . 2]" 1
335 1 27 THR HB 1 68 THR HA 7.250 . 7.250 6.722 6.677 6.773 . 0 0 "[ . 1 . 2]" 1
336 1 27 THR MG 1 28 GLU H 4.750 . 4.750 1.999 1.985 2.023 . 0 0 "[ . 1 . 2]" 1
337 1 27 THR MG 1 29 GLU H 4.520 . 4.520 1.906 1.897 1.912 . 0 0 "[ . 1 . 2]" 1
338 1 27 THR O 1 30 ALA H 2.200 . 2.200 2.118 2.028 2.190 . 0 0 "[ . 1 . 2]" 1
339 1 27 THR O 1 30 ALA N 3.300 2.700 3.300 2.984 2.918 3.087 . 0 0 "[ . 1 . 2]" 1
340 1 27 THR OG1 1 29 GLU H 4.000 . 4.000 4.386 4.372 4.412 0.412 5 0 "[ . 1 . 2]" 1
341 1 27 THR OG1 1 29 GLU N 5.000 . 5.000 5.188 5.178 5.201 0.201 1 0 "[ . 1 . 2]" 1
342 1 28 GLU H 1 29 GLU H 4.910 . 4.910 2.611 2.594 2.637 . 0 0 "[ . 1 . 2]" 1
343 1 28 GLU H 1 30 ALA MB 6.000 . 6.000 4.597 4.529 4.657 . 0 0 "[ . 1 . 2]" 1
344 1 28 GLU H 1 69 VAL HB 5.760 . 5.760 4.427 4.325 4.723 . 0 0 "[ . 1 . 2]" 1
345 1 28 GLU H 1 69 VAL MG2 6.350 . 6.350 5.426 5.267 5.814 . 0 0 "[ . 1 . 2]" 1
346 1 28 GLU HA 1 29 GLU H 5.340 . 5.340 3.493 3.480 3.504 . 0 0 "[ . 1 . 2]" 1
347 1 28 GLU HA 1 69 VAL H 4.610 . 4.610 4.235 4.137 4.318 . 0 0 "[ . 1 . 2]" 1
348 1 28 GLU HA 1 70 GLY H 4.850 . 4.850 2.357 2.321 2.392 . 0 0 "[ . 1 . 2]" 1
349 1 28 GLU HA 1 73 VAL H 5.350 . 5.350 5.411 5.355 5.478 0.128 17 0 "[ . 1 . 2]" 1
350 1 28 GLU O 1 70 GLY H 2.250 . 2.250 2.321 2.300 2.342 0.092 3 0 "[ . 1 . 2]" 1
351 1 28 GLU O 1 70 GLY N 3.300 2.700 3.300 2.974 2.951 3.018 . 0 0 "[ . 1 . 2]" 1
352 1 29 GLU H 1 30 ALA H 4.320 . 4.320 2.258 2.229 2.291 . 0 0 "[ . 1 . 2]" 1
353 1 29 GLU H 1 68 THR HB 4.160 . 4.160 4.335 4.285 4.395 0.235 4 0 "[ . 1 . 2]" 1
354 1 29 GLU HA 1 30 ALA H 4.360 . 4.360 3.330 3.297 3.360 . 0 0 "[ . 1 . 2]" 1
355 1 29 GLU HB2 1 30 ALA H 5.540 . 5.540 3.695 3.465 4.322 . 0 0 "[ . 1 . 2]" 1
356 1 29 GLU HB2 1 30 ALA HA 4.800 . 4.800 4.569 4.484 4.736 . 0 0 "[ . 1 . 2]" 1
357 1 29 GLU HB3 1 30 ALA H 5.410 . 5.410 4.309 4.240 4.447 . 0 0 "[ . 1 . 2]" 1
358 1 29 GLU HG2 1 30 ALA H 5.070 . 5.070 4.713 3.374 5.179 0.109 9 0 "[ . 1 . 2]" 1
359 1 30 ALA H 1 31 LYS HA 5.480 . 5.480 5.352 5.283 5.404 . 0 0 "[ . 1 . 2]" 1
360 1 30 ALA H 1 68 THR HA 5.960 . 5.960 4.979 4.926 5.049 . 0 0 "[ . 1 . 2]" 1
361 1 30 ALA H 1 68 THR HB 4.570 . 4.570 3.158 3.062 3.248 . 0 0 "[ . 1 . 2]" 1
362 1 30 ALA H 1 69 VAL H 3.780 . 3.780 3.883 3.842 3.926 0.146 5 0 "[ . 1 . 2]" 1
363 1 30 ALA H 1 69 VAL HB 4.650 . 4.650 4.236 4.149 4.299 . 0 0 "[ . 1 . 2]" 1
364 1 30 ALA HA 1 31 LYS H 4.080 . 4.080 2.186 2.167 2.227 . 0 0 "[ . 1 . 2]" 1
365 1 30 ALA MB 1 31 LYS H 4.720 . 4.720 2.921 2.852 2.956 . 0 0 "[ . 1 . 2]" 1
366 1 30 ALA MB 1 32 LEU H 6.000 . 6.000 4.973 4.876 5.031 . 0 0 "[ . 1 . 2]" 1
367 1 30 ALA MB 1 35 ASP HA 6.250 . 6.250 4.576 4.320 4.836 . 0 0 "[ . 1 . 2]" 1
368 1 30 ALA MB 1 35 ASP HB2 5.270 . 5.270 3.089 2.652 3.474 . 0 0 "[ . 1 . 2]" 1
369 1 30 ALA MB 1 36 LEU QD 6.200 . 6.200 3.275 2.442 3.667 . 0 0 "[ . 1 . 2]" 1
370 1 30 ALA MB 1 69 VAL H 4.850 . 4.850 3.773 3.705 3.897 . 0 0 "[ . 1 . 2]" 1
371 1 30 ALA O 1 69 VAL H 2.250 . 2.250 2.264 2.201 2.332 0.082 4 0 "[ . 1 . 2]" 1
372 1 30 ALA O 1 69 VAL N 3.300 2.700 3.300 3.143 3.082 3.205 . 0 0 "[ . 1 . 2]" 1
373 1 31 LYS H 1 35 ASP H 5.300 . 5.300 3.195 2.975 3.456 . 0 0 "[ . 1 . 2]" 1
374 1 31 LYS H 1 35 ASP HA 4.880 . 4.880 4.385 4.282 4.471 . 0 0 "[ . 1 . 2]" 1
375 1 31 LYS H 1 35 ASP HB3 4.440 . 4.440 2.543 2.197 2.941 . 0 0 "[ . 1 . 2]" 1
376 1 31 LYS H 1 35 ASP OD1 4.000 . 4.000 4.062 3.867 4.117 0.117 15 0 "[ . 1 . 2]" 1
377 1 31 LYS H 1 36 LEU H 5.410 . 5.410 4.890 4.695 5.041 . 0 0 "[ . 1 . 2]" 1
378 1 31 LYS HA 1 32 LEU H 4.280 . 4.280 2.167 2.141 2.188 . 0 0 "[ . 1 . 2]" 1
379 1 31 LYS HA 1 32 LEU MD2 6.500 . 6.500 5.118 5.008 5.609 . 0 0 "[ . 1 . 2]" 1
380 1 31 LYS HA 1 35 ASP H 6.600 . 6.600 4.280 4.139 4.384 . 0 0 "[ . 1 . 2]" 1
381 1 31 LYS HA 1 68 THR H 4.990 . 4.990 4.334 4.271 4.390 . 0 0 "[ . 1 . 2]" 1
382 1 31 LYS HA 1 68 THR HA 3.350 . 3.350 2.156 1.989 2.215 . 0 0 "[ . 1 . 2]" 1
383 1 31 LYS HB2 1 34 ASP H 4.150 . 4.150 2.731 2.483 2.988 . 0 0 "[ . 1 . 2]" 1
384 1 31 LYS HB2 1 35 ASP H 5.420 . 5.420 2.065 1.922 2.461 . 0 0 "[ . 1 . 2]" 1
385 1 31 LYS HB2 1 36 LEU H 5.100 . 5.100 4.358 4.066 4.902 . 0 0 "[ . 1 . 2]" 1
386 1 31 LYS HB2 1 68 THR HA 5.150 . 5.150 5.161 4.943 5.238 0.088 4 0 "[ . 1 . 2]" 1
387 1 31 LYS HB3 1 32 LEU H 5.460 . 5.460 3.227 3.187 3.314 . 0 0 "[ . 1 . 2]" 1
388 1 31 LYS HB3 1 34 ASP H 3.980 . 3.980 2.398 2.199 2.665 . 0 0 "[ . 1 . 2]" 1
389 1 31 LYS HB3 1 34 ASP HB2 4.480 . 4.480 2.931 2.586 3.419 . 0 0 "[ . 1 . 2]" 1
390 1 31 LYS HB3 1 35 ASP H 4.550 . 4.550 3.208 2.915 3.531 . 0 0 "[ . 1 . 2]" 1
391 1 31 LYS HB3 1 68 THR H 5.900 . 5.900 5.998 5.914 6.067 0.167 5 0 "[ . 1 . 2]" 1
392 1 31 LYS QD 1 32 LEU H 5.460 . 5.460 3.909 3.582 5.198 . 0 0 "[ . 1 . 2]" 1
393 1 31 LYS QD 1 34 ASP H 5.300 . 5.300 4.432 3.854 5.078 . 0 0 "[ . 1 . 2]" 1
394 1 31 LYS QD 1 68 THR HA 4.470 . 4.470 3.447 3.100 4.526 0.056 13 0 "[ . 1 . 2]" 1
395 1 31 LYS QD 1 68 THR HB 5.100 . 5.100 4.336 4.121 4.711 . 0 0 "[ . 1 . 2]" 1
396 1 31 LYS QE 1 34 ASP H 6.850 . 6.850 5.148 3.841 6.051 . 0 0 "[ . 1 . 2]" 1
397 1 31 LYS HG2 1 32 LEU H 5.460 . 5.460 4.832 4.593 4.914 . 0 0 "[ . 1 . 2]" 1
398 1 31 LYS HG2 1 34 ASP H 5.100 . 5.100 4.930 4.233 5.185 0.085 4 0 "[ . 1 . 2]" 1
399 1 31 LYS HG2 1 68 THR HA 4.470 . 4.470 4.495 4.376 4.666 0.196 1 0 "[ . 1 . 2]" 1
400 1 31 LYS QZ 1 34 ASP OD2 2.500 . 2.500 2.518 2.428 2.596 0.096 17 0 "[ . 1 . 2]" 1
401 1 31 LYS N 1 35 ASP OD1 5.000 . 5.000 4.862 4.741 4.952 . 0 0 "[ . 1 . 2]" 1
402 1 31 LYS O 1 35 ASP H 2.200 . 2.200 2.082 1.947 2.203 0.003 13 0 "[ . 1 . 2]" 1
403 1 31 LYS O 1 35 ASP N 3.300 2.700 3.300 2.751 2.685 2.792 0.015 1 0 "[ . 1 . 2]" 1
404 1 32 LEU H 1 33 ILE H 5.220 . 5.220 2.747 2.672 2.815 . 0 0 "[ . 1 . 2]" 1
405 1 32 LEU H 1 35 ASP HB3 4.950 . 4.950 4.954 4.901 5.012 0.062 9 0 "[ . 1 . 2]" 1
406 1 32 LEU H 1 36 LEU HB2 5.770 . 5.770 4.831 4.587 4.997 . 0 0 "[ . 1 . 2]" 1
407 1 32 LEU H 1 67 SER O 2.200 . 2.200 2.313 2.209 2.346 0.146 10 0 "[ . 1 . 2]" 1
408 1 32 LEU H 1 68 THR H 4.950 . 4.950 4.953 4.808 5.043 0.093 13 0 "[ . 1 . 2]" 1
409 1 32 LEU H 1 68 THR HA 4.090 . 4.090 2.680 2.556 2.792 . 0 0 "[ . 1 . 2]" 1
410 1 32 LEU H 1 68 THR MG 5.200 . 5.200 3.908 3.813 4.211 . 0 0 "[ . 1 . 2]" 1
411 1 32 LEU H 1 69 VAL H 4.100 . 4.100 4.184 4.140 4.219 0.119 2 0 "[ . 1 . 2]" 1
412 1 32 LEU HA 1 33 ILE H 5.320 . 5.320 3.556 3.546 3.568 . 0 0 "[ . 1 . 2]" 1
413 1 32 LEU HA 1 36 LEU H 4.620 . 4.620 3.550 3.406 3.685 . 0 0 "[ . 1 . 2]" 1
414 1 32 LEU HA 1 36 LEU HB2 4.720 . 4.720 2.232 2.084 2.354 . 0 0 "[ . 1 . 2]" 1
415 1 32 LEU HA 1 36 LEU HB3 3.840 . 3.840 3.721 3.466 3.905 0.065 18 0 "[ . 1 . 2]" 1
416 1 32 LEU HA 1 37 GLY H 4.830 . 4.830 4.721 4.609 4.813 . 0 0 "[ . 1 . 2]" 1
417 1 32 LEU HB3 1 33 ILE H 5.160 . 5.160 3.629 3.570 3.673 . 0 0 "[ . 1 . 2]" 1
418 1 32 LEU MD1 1 47 VAL H 7.450 . 7.450 5.367 4.999 6.944 . 0 0 "[ . 1 . 2]" 1
419 1 32 LEU MD1 1 68 THR H 6.450 . 6.450 4.887 3.865 5.225 . 0 0 "[ . 1 . 2]" 1
420 1 32 LEU MD1 1 69 VAL H 4.950 . 4.950 3.950 2.329 4.292 . 0 0 "[ . 1 . 2]" 1
421 1 32 LEU MD1 1 72 ILE MG 6.050 . 6.050 3.730 3.516 4.414 . 0 0 "[ . 1 . 2]" 1
422 1 32 LEU MD2 1 69 VAL H 5.250 . 5.250 4.110 3.856 4.525 . 0 0 "[ . 1 . 2]" 1
423 1 32 LEU MD2 1 72 ILE MG 6.900 . 6.900 4.404 3.786 4.568 . 0 0 "[ . 1 . 2]" 1
424 1 32 LEU HG 1 68 THR HA 4.270 . 4.270 3.341 2.971 4.449 0.179 4 0 "[ . 1 . 2]" 1
425 1 32 LEU HG 1 69 VAL H 4.230 . 4.230 3.382 3.129 4.088 . 0 0 "[ . 1 . 2]" 1
426 1 32 LEU HG 1 69 VAL HA 4.660 . 4.660 3.674 3.404 4.379 . 0 0 "[ . 1 . 2]" 1
427 1 32 LEU HG 1 69 VAL MG1 5.400 . 5.400 4.647 4.527 4.755 . 0 0 "[ . 1 . 2]" 1
428 1 32 LEU N 1 67 SER O 3.300 2.700 3.300 3.286 3.185 3.321 0.021 10 0 "[ . 1 . 2]" 1
429 1 32 LEU O 1 36 LEU H 2.750 . 2.750 2.849 2.807 2.884 0.134 10 0 "[ . 1 . 2]" 1
430 1 32 LEU O 1 36 LEU N 3.450 2.700 3.450 3.501 3.465 3.543 0.093 10 0 "[ . 1 . 2]" 1
431 1 32 LEU O 1 38 ALA H 2.200 . 2.200 1.887 1.835 1.956 . 0 0 "[ . 1 . 2]" 1
432 1 32 LEU O 1 38 ALA N 3.300 2.700 3.300 2.806 2.752 2.892 . 0 0 "[ . 1 . 2]" 1
433 1 33 ILE H 1 34 ASP H 4.820 . 4.820 2.516 2.481 2.567 . 0 0 "[ . 1 . 2]" 1
434 1 33 ILE H 1 34 ASP HB2 4.750 . 4.750 4.792 4.732 4.874 0.124 18 0 "[ . 1 . 2]" 1
435 1 33 ILE HA 1 34 ASP H 4.970 . 4.970 3.574 3.564 3.584 . 0 0 "[ . 1 . 2]" 1
436 1 33 ILE HA 1 36 LEU H 5.100 . 5.100 4.161 4.020 4.309 . 0 0 "[ . 1 . 2]" 1
437 1 33 ILE HA 1 37 GLY H 4.440 . 4.440 3.198 3.129 3.316 . 0 0 "[ . 1 . 2]" 1
438 1 33 ILE HA 1 38 ALA H 4.250 . 4.250 2.032 1.949 2.189 . 0 0 "[ . 1 . 2]" 1
439 1 33 ILE HA 1 39 ASP H 5.240 . 5.240 4.457 4.371 4.521 . 0 0 "[ . 1 . 2]" 1
440 1 33 ILE HB 1 34 ASP H 4.010 . 4.010 3.945 3.883 4.007 . 0 0 "[ . 1 . 2]" 1
441 1 33 ILE HB 1 38 ALA MB 4.790 . 4.790 3.877 3.626 4.351 . 0 0 "[ . 1 . 2]" 1
442 1 33 ILE HB 1 39 ASP H 5.300 . 5.300 5.392 5.323 5.452 0.152 4 0 "[ . 1 . 2]" 1
443 1 33 ILE HG12 1 34 ASP H 5.320 . 5.320 3.854 3.746 3.962 . 0 0 "[ . 1 . 2]" 1
444 1 33 ILE HG12 1 37 GLY H 5.170 . 5.170 5.096 5.056 5.167 . 0 0 "[ . 1 . 2]" 1
445 1 33 ILE HG13 1 34 ASP H 4.960 . 4.960 4.648 4.589 4.717 . 0 0 "[ . 1 . 2]" 1
446 1 33 ILE HG13 1 37 GLY H 4.930 . 4.930 4.815 4.745 4.917 . 0 0 "[ . 1 . 2]" 1
447 1 33 ILE HG13 1 39 ASP H 3.820 . 3.820 3.880 3.820 3.943 0.123 17 0 "[ . 1 . 2]" 1
448 1 33 ILE MG 1 34 ASP H 4.280 . 4.280 2.020 1.928 2.117 . 0 0 "[ . 1 . 2]" 1
449 1 33 ILE MG 1 34 ASP HA 4.400 . 4.400 3.397 3.343 3.452 . 0 0 "[ . 1 . 2]" 1
450 1 33 ILE MG 1 34 ASP HB2 4.780 . 4.780 3.505 2.747 3.704 . 0 0 "[ . 1 . 2]" 1
451 1 33 ILE O 1 37 GLY H 2.250 . 2.250 2.330 2.299 2.352 0.102 17 0 "[ . 1 . 2]" 1
452 1 33 ILE O 1 37 GLY N 3.300 2.700 3.300 2.938 2.908 2.970 . 0 0 "[ . 1 . 2]" 1
453 1 34 ASP H 1 35 ASP H 5.120 . 5.120 2.561 2.518 2.649 . 0 0 "[ . 1 . 2]" 1
454 1 34 ASP H 1 37 GLY H 4.870 . 4.870 4.085 3.972 4.229 . 0 0 "[ . 1 . 2]" 1
455 1 34 ASP HB2 1 35 ASP H 4.600 . 4.600 2.593 2.264 3.555 . 0 0 "[ . 1 . 2]" 1
456 1 34 ASP HB3 1 35 ASP H 4.790 . 4.790 3.529 2.197 3.903 . 0 0 "[ . 1 . 2]" 1
457 1 35 ASP H 1 36 LEU HA 5.340 . 5.340 5.166 4.961 5.333 . 0 0 "[ . 1 . 2]" 1
458 1 35 ASP H 1 36 LEU HB2 4.790 . 4.790 4.523 4.190 4.790 0.000 20 0 "[ . 1 . 2]" 1
459 1 35 ASP HA 1 36 LEU H 4.850 . 4.850 3.503 3.436 3.544 . 0 0 "[ . 1 . 2]" 1
460 1 35 ASP HB2 1 36 LEU H 4.920 . 4.920 4.018 3.942 4.135 . 0 0 "[ . 1 . 2]" 1
461 1 35 ASP HB3 1 37 GLY H 4.880 . 4.880 5.025 4.966 5.110 0.230 5 0 "[ . 1 . 2]" 1
462 1 36 LEU H 1 37 GLY QA 5.030 . 5.030 4.011 3.885 4.085 . 0 0 "[ . 1 . 2]" 1
463 1 36 LEU H 1 37 GLY HA3 5.030 . 5.030 4.731 4.608 4.803 . 0 0 "[ . 1 . 2]" 1
464 1 36 LEU H 1 38 ALA H 3.990 . 3.990 3.639 3.502 3.725 . 0 0 "[ . 1 . 2]" 1
465 1 36 LEU HA 1 37 GLY H 5.440 . 5.440 3.487 3.458 3.509 . 0 0 "[ . 1 . 2]" 1
466 1 36 LEU HB3 1 37 GLY H 6.640 . 6.640 3.746 3.688 3.804 . 0 0 "[ . 1 . 2]" 1
467 1 36 LEU QD 1 37 GLY H 5.850 . 5.850 4.357 4.106 4.409 . 0 0 "[ . 1 . 2]" 1
468 1 36 LEU HG 1 37 GLY H 5.470 . 5.470 5.011 4.935 5.210 . 0 0 "[ . 1 . 2]" 1
469 1 37 GLY H 1 38 ALA H 4.780 . 4.780 2.404 2.347 2.458 . 0 0 "[ . 1 . 2]" 1
470 1 37 GLY H 1 39 ASP HA 6.450 . 6.450 6.629 6.537 6.681 0.231 10 0 "[ . 1 . 2]" 1
471 1 37 GLY HA3 1 38 ALA H 4.320 . 4.320 3.481 3.452 3.505 . 0 0 "[ . 1 . 2]" 1
472 1 38 ALA HA 1 39 ASP H 4.030 . 4.030 2.143 2.108 2.186 . 0 0 "[ . 1 . 2]" 1
473 1 38 ALA MB 1 39 ASP H 4.580 . 4.580 3.427 3.394 3.457 . 0 0 "[ . 1 . 2]" 1
474 1 38 ALA MB 1 42 ASP H 5.950 . 5.950 4.681 4.384 4.914 . 0 0 "[ . 1 . 2]" 1
475 1 38 ALA MB 1 43 LEU H 4.650 . 4.650 3.661 3.446 3.880 . 0 0 "[ . 1 . 2]" 1
476 1 39 ASP H 1 42 ASP H 4.480 . 4.480 3.980 3.702 4.155 . 0 0 "[ . 1 . 2]" 1
477 1 39 ASP H 1 42 ASP HA 5.550 . 5.550 5.496 5.231 5.652 0.102 17 0 "[ . 1 . 2]" 1
478 1 39 ASP H 1 42 ASP HB2 3.750 . 3.750 2.753 2.600 2.799 . 0 0 "[ . 1 . 2]" 1
479 1 39 ASP H 1 42 ASP HB3 4.070 . 4.070 4.049 3.900 4.168 0.098 20 0 "[ . 1 . 2]" 1
480 1 39 ASP H 1 42 ASP OD1 4.000 . 4.000 4.427 4.106 4.739 0.739 20 11 "[ *- .** **** . * *+]" 1
481 1 39 ASP H 1 43 LEU H 5.710 . 5.710 4.736 4.644 4.793 . 0 0 "[ . 1 . 2]" 1
482 1 39 ASP HA 1 40 SER H 4.390 . 4.390 2.389 2.299 2.568 . 0 0 "[ . 1 . 2]" 1
483 1 39 ASP HA 1 41 LEU H 5.310 . 5.310 4.440 4.329 4.651 . 0 0 "[ . 1 . 2]" 1
484 1 39 ASP HB3 1 40 SER H 4.480 . 4.480 3.642 3.522 3.706 . 0 0 "[ . 1 . 2]" 1
485 1 39 ASP HB3 1 43 LEU H 5.900 . 5.900 5.067 4.570 6.038 0.138 5 0 "[ . 1 . 2]" 1
486 1 39 ASP N 1 42 ASP OD1 5.000 . 5.000 5.002 4.686 5.284 0.284 17 0 "[ . 1 . 2]" 1
487 1 39 ASP O 1 43 LEU H 2.200 . 2.200 1.821 1.776 1.852 0.024 20 0 "[ . 1 . 2]" 1
488 1 39 ASP O 1 43 LEU N 3.300 2.700 3.300 2.748 2.716 2.782 . 0 0 "[ . 1 . 2]" 1
489 1 39 ASP OD1 1 41 LEU H 4.000 . 4.000 3.763 2.717 4.418 0.418 13 0 "[ . 1 . 2]" 1
490 1 39 ASP OD1 1 41 LEU N 5.000 . 5.000 4.530 3.189 5.338 0.338 13 0 "[ . 1 . 2]" 1
491 1 40 SER H 1 41 LEU H 4.480 . 4.480 2.957 2.920 2.996 . 0 0 "[ . 1 . 2]" 1
492 1 40 SER HA 1 41 LEU H 4.310 . 4.310 3.564 3.549 3.580 . 0 0 "[ . 1 . 2]" 1
493 1 40 SER HA 1 43 LEU HB3 4.360 . 4.360 2.803 2.368 4.002 . 0 0 "[ . 1 . 2]" 1
494 1 40 SER HB2 1 41 LEU H 4.400 . 4.400 3.719 3.671 3.745 . 0 0 "[ . 1 . 2]" 1
495 1 40 SER HB2 1 44 VAL H 4.900 . 4.900 4.957 4.899 5.012 0.112 3 0 "[ . 1 . 2]" 1
496 1 40 SER HB3 1 41 LEU H 4.310 . 4.310 3.961 3.945 3.972 . 0 0 "[ . 1 . 2]" 1
497 1 40 SER O 1 44 VAL H 2.200 . 2.200 2.005 1.940 2.070 . 0 0 "[ . 1 . 2]" 1
498 1 40 SER O 1 44 VAL N 3.300 2.700 3.300 2.923 2.867 2.983 . 0 0 "[ . 1 . 2]" 1
499 1 41 LEU H 1 42 ASP H 4.400 . 4.400 2.642 2.620 2.696 . 0 0 "[ . 1 . 2]" 1
500 1 41 LEU H 1 44 VAL H 5.200 . 5.200 4.750 4.712 4.799 . 0 0 "[ . 1 . 2]" 1
501 1 41 LEU H 1 44 VAL MG1 7.700 . 7.700 6.470 6.380 6.545 . 0 0 "[ . 1 . 2]" 1
502 1 41 LEU HA 1 42 ASP H 4.620 . 4.620 3.531 3.523 3.539 . 0 0 "[ . 1 . 2]" 1
503 1 41 LEU HA 1 43 LEU H 4.460 . 4.460 4.409 4.371 4.457 . 0 0 "[ . 1 . 2]" 1
504 1 41 LEU HA 1 44 VAL H 3.450 . 3.450 3.523 3.493 3.576 0.126 20 0 "[ . 1 . 2]" 1
505 1 41 LEU HA 1 44 VAL HB 3.950 . 3.950 2.994 2.898 3.075 . 0 0 "[ . 1 . 2]" 1
506 1 41 LEU QB 1 42 ASP H 4.810 . 4.810 2.373 2.342 2.405 . 0 0 "[ . 1 . 2]" 1
507 1 41 LEU MD1 1 45 ASP H 5.500 . 5.500 4.356 4.262 4.455 . 0 0 "[ . 1 . 2]" 1
508 1 41 LEU HG 1 42 ASP H 4.780 . 4.780 3.616 3.547 3.648 . 0 0 "[ . 1 . 2]" 1
509 1 41 LEU HG 1 45 ASP H 4.980 . 4.980 4.580 4.495 4.622 . 0 0 "[ . 1 . 2]" 1
510 1 41 LEU O 1 45 ASP H 2.200 . 2.200 2.220 2.173 2.260 0.060 17 0 "[ . 1 . 2]" 1
511 1 41 LEU O 1 45 ASP N 3.300 2.800 3.300 3.175 3.132 3.215 . 0 0 "[ . 1 . 2]" 1
512 1 42 ASP H 1 43 LEU H 4.700 . 4.700 2.698 2.685 2.726 . 0 0 "[ . 1 . 2]" 1
513 1 42 ASP H 1 43 LEU HB2 4.900 . 4.900 4.936 4.757 4.996 0.096 16 0 "[ . 1 . 2]" 1
514 1 42 ASP HA 1 43 LEU H 5.290 . 5.290 3.538 3.529 3.555 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASP HA 1 45 ASP HB3 4.510 . 4.510 4.074 2.951 4.580 0.070 14 0 "[ . 1 . 2]" 1
516 1 42 ASP HA 1 46 LEU QD 5.400 . 5.400 4.004 3.340 4.249 . 0 0 "[ . 1 . 2]" 1
517 1 42 ASP HB2 1 43 LEU H 4.910 . 4.910 2.619 2.533 2.689 . 0 0 "[ . 1 . 2]" 1
518 1 42 ASP HB2 1 43 LEU MD2 7.300 . 7.300 5.601 4.265 6.070 . 0 0 "[ . 1 . 2]" 1
519 1 42 ASP HB2 1 46 LEU QD 5.600 . 5.600 3.852 3.747 4.027 . 0 0 "[ . 1 . 2]" 1
520 1 42 ASP HB3 1 43 LEU H 5.470 . 5.470 3.546 3.493 3.597 . 0 0 "[ . 1 . 2]" 1
521 1 42 ASP O 1 46 LEU H 2.200 . 2.200 2.027 1.940 2.188 . 0 0 "[ . 1 . 2]" 1
522 1 42 ASP O 1 46 LEU N 3.300 2.800 3.300 2.952 2.857 3.125 . 0 0 "[ . 1 . 2]" 1
523 1 43 LEU H 1 44 VAL H 4.900 . 4.900 2.726 2.703 2.747 . 0 0 "[ . 1 . 2]" 1
524 1 43 LEU H 1 44 VAL HA 5.250 . 5.250 5.318 5.301 5.334 0.084 18 0 "[ . 1 . 2]" 1
525 1 43 LEU H 1 44 VAL MG1 7.050 . 7.050 5.935 5.912 5.957 . 0 0 "[ . 1 . 2]" 1
526 1 43 LEU HA 1 46 LEU H 3.970 . 3.970 3.482 3.391 3.595 . 0 0 "[ . 1 . 2]" 1
527 1 43 LEU HA 1 47 VAL H 5.200 . 5.200 3.921 3.715 4.109 . 0 0 "[ . 1 . 2]" 1
528 1 43 LEU HB2 1 44 VAL H 5.030 . 5.030 3.553 2.629 3.868 . 0 0 "[ . 1 . 2]" 1
529 1 43 LEU HB3 1 44 VAL H 5.410 . 5.410 2.806 2.533 3.595 . 0 0 "[ . 1 . 2]" 1
530 1 43 LEU MD2 1 47 VAL H 6.650 . 6.650 5.327 4.580 5.626 . 0 0 "[ . 1 . 2]" 1
531 1 43 LEU O 1 47 VAL H 2.250 . 2.250 1.958 1.866 2.058 . 0 0 "[ . 1 . 2]" 1
532 1 43 LEU O 1 47 VAL N 3.300 2.800 3.300 2.933 2.827 3.033 . 0 0 "[ . 1 . 2]" 1
533 1 44 VAL H 1 45 ASP H 4.810 . 4.810 2.733 2.697 2.775 . 0 0 "[ . 1 . 2]" 1
534 1 44 VAL HA 1 45 ASP H 5.290 . 5.290 3.559 3.550 3.569 . 0 0 "[ . 1 . 2]" 1
535 1 44 VAL HA 1 46 LEU H 4.400 . 4.400 4.469 4.433 4.531 0.131 1 0 "[ . 1 . 2]" 1
536 1 44 VAL HA 1 47 VAL H 4.110 . 4.110 3.772 3.709 3.924 . 0 0 "[ . 1 . 2]" 1
537 1 44 VAL HA 1 48 MET H 4.910 . 4.910 4.004 3.766 4.260 . 0 0 "[ . 1 . 2]" 1
538 1 44 VAL HB 1 45 ASP H 4.600 . 4.600 2.579 2.547 2.616 . 0 0 "[ . 1 . 2]" 1
539 1 44 VAL MG1 1 45 ASP H 5.050 . 5.050 3.278 3.258 3.307 . 0 0 "[ . 1 . 2]" 1
540 1 44 VAL MG1 1 48 MET H 6.050 . 6.050 4.145 4.079 4.286 . 0 0 "[ . 1 . 2]" 1
541 1 44 VAL MG1 1 48 MET HB3 6.150 . 6.150 4.471 3.991 5.193 . 0 0 "[ . 1 . 2]" 1
542 1 44 VAL MG2 1 45 ASP H 4.610 . 4.610 3.910 3.873 3.950 . 0 0 "[ . 1 . 2]" 1
543 1 44 VAL MG2 1 48 MET HB3 7.750 . 7.750 6.710 6.166 7.522 . 0 0 "[ . 1 . 2]" 1
544 1 44 VAL O 1 48 MET H 2.200 . 2.200 1.994 1.886 2.164 . 0 0 "[ . 1 . 2]" 1
545 1 44 VAL O 1 48 MET N 3.300 2.800 3.300 2.915 2.791 3.092 0.009 14 0 "[ . 1 . 2]" 1
546 1 45 ASP H 1 46 LEU H 4.720 . 4.720 2.694 2.668 2.717 . 0 0 "[ . 1 . 2]" 1
547 1 45 ASP H 1 46 LEU HA 5.290 . 5.290 5.319 5.292 5.338 0.048 20 0 "[ . 1 . 2]" 1
548 1 45 ASP HA 1 46 LEU H 5.300 . 5.300 3.545 3.533 3.564 . 0 0 "[ . 1 . 2]" 1
549 1 45 ASP HA 1 48 MET H 3.920 . 3.920 3.646 3.463 3.958 0.038 4 0 "[ . 1 . 2]" 1
550 1 45 ASP HA 1 48 MET HB2 4.970 . 4.970 3.126 2.716 3.571 . 0 0 "[ . 1 . 2]" 1
551 1 45 ASP HA 1 48 MET HB3 4.530 . 4.530 3.127 2.336 4.393 . 0 0 "[ . 1 . 2]" 1
552 1 45 ASP HA 1 48 MET HG2 4.350 . 4.350 4.197 3.680 4.513 0.163 14 0 "[ . 1 . 2]" 1
553 1 45 ASP HA 1 48 MET HG3 5.250 . 5.250 4.616 3.375 5.174 . 0 0 "[ . 1 . 2]" 1
554 1 45 ASP HA 1 49 ASP H 4.530 . 4.530 4.110 3.881 4.318 . 0 0 "[ . 1 . 2]" 1
555 1 45 ASP HB2 1 46 LEU H 4.150 . 4.150 3.008 2.631 3.848 . 0 0 "[ . 1 . 2]" 1
556 1 45 ASP HB3 1 46 LEU H 4.330 . 4.330 3.245 2.521 3.594 . 0 0 "[ . 1 . 2]" 1
557 1 45 ASP O 1 49 ASP H 2.200 . 2.200 2.045 1.864 2.158 . 0 0 "[ . 1 . 2]" 1
558 1 45 ASP O 1 49 ASP N 3.300 2.800 3.300 2.970 2.795 3.075 0.005 17 0 "[ . 1 . 2]" 1
559 1 46 LEU H 1 47 VAL H 4.680 . 4.680 2.826 2.788 2.936 . 0 0 "[ . 1 . 2]" 1
560 1 46 LEU HA 1 47 VAL H 4.930 . 4.930 3.594 3.580 3.610 . 0 0 "[ . 1 . 2]" 1
561 1 46 LEU HA 1 48 MET H 4.910 . 4.910 4.474 4.397 4.646 . 0 0 "[ . 1 . 2]" 1
562 1 46 LEU HA 1 49 ASP H 4.470 . 4.470 3.559 3.485 3.682 . 0 0 "[ . 1 . 2]" 1
563 1 46 LEU HA 1 49 ASP HB3 3.380 . 3.380 3.415 3.348 3.487 0.107 11 0 "[ . 1 . 2]" 1
564 1 46 LEU HA 1 50 PHE H 4.690 . 4.690 4.714 4.679 4.752 0.062 4 0 "[ . 1 . 2]" 1
565 1 46 LEU HB2 1 47 VAL H 5.030 . 5.030 2.434 2.383 2.592 . 0 0 "[ . 1 . 2]" 1
566 1 46 LEU HB3 1 47 VAL H 4.060 . 4.060 3.253 2.724 3.383 . 0 0 "[ . 1 . 2]" 1
567 1 46 LEU HB3 1 47 VAL HA 4.490 . 4.490 4.173 3.862 4.248 . 0 0 "[ . 1 . 2]" 1
568 1 46 LEU HB3 1 50 PHE HZ 4.130 . 4.130 3.205 2.851 3.710 . 0 0 "[ . 1 . 2]" 1
569 1 46 LEU QD 1 47 VAL H 5.300 . 5.300 3.952 3.820 3.992 . 0 0 "[ . 1 . 2]" 1
570 1 46 LEU QD 1 50 PHE HZ 5.770 . 5.770 3.399 3.019 4.088 . 0 0 "[ . 1 . 2]" 1
571 1 46 LEU O 1 50 PHE H 2.350 . 2.350 2.427 2.388 2.441 0.091 16 0 "[ . 1 . 2]" 1
572 1 46 LEU O 1 50 PHE N 3.300 2.800 3.300 3.306 3.264 3.331 0.031 10 0 "[ . 1 . 2]" 1
573 1 47 VAL H 1 48 MET H 4.910 . 4.910 2.748 2.677 2.874 . 0 0 "[ . 1 . 2]" 1
574 1 47 VAL H 1 50 PHE QD 5.670 . 5.670 4.754 4.647 5.044 . 0 0 "[ . 1 . 2]" 1
575 1 47 VAL H 1 66 ILE MG 7.850 . 7.850 6.327 5.754 6.661 . 0 0 "[ . 1 . 2]" 1
576 1 47 VAL H 1 72 ILE MD 5.650 . 5.650 4.644 4.459 4.996 . 0 0 "[ . 1 . 2]" 1
577 1 47 VAL HA 1 50 PHE QD 4.140 . 4.140 2.190 2.036 2.708 . 0 0 "[ . 1 . 2]" 1
578 1 47 VAL HA 1 50 PHE HZ 4.650 . 4.650 4.824 4.786 4.881 0.231 5 0 "[ . 1 . 2]" 1
579 1 47 VAL HB 1 72 ILE HA 6.050 . 6.050 6.287 6.224 6.364 0.314 5 0 "[ . 1 . 2]" 1
580 1 47 VAL MG1 1 48 MET H 5.280 . 5.280 2.099 2.007 2.143 . 0 0 "[ . 1 . 2]" 1
581 1 47 VAL MG1 1 48 MET HB3 5.300 . 5.300 4.229 3.969 4.651 . 0 0 "[ . 1 . 2]" 1
582 1 47 VAL MG2 1 48 MET H 4.620 . 4.620 3.628 3.562 3.670 . 0 0 "[ . 1 . 2]" 1
583 1 47 VAL MG2 1 48 MET HB2 6.050 . 6.050 5.033 4.800 5.391 . 0 0 "[ . 1 . 2]" 1
584 1 47 VAL MG2 1 48 MET HB3 6.750 . 6.750 5.581 5.466 5.703 . 0 0 "[ . 1 . 2]" 1
585 1 47 VAL MG2 1 49 ASP H 6.300 . 6.300 5.145 5.083 5.197 . 0 0 "[ . 1 . 2]" 1
586 1 47 VAL MG2 1 51 GLU HA 5.800 . 5.800 4.621 4.441 4.901 . 0 0 "[ . 1 . 2]" 1
587 1 47 VAL MG2 1 51 GLU HG2 7.400 . 7.400 5.901 5.618 6.302 . 0 0 "[ . 1 . 2]" 1
588 1 47 VAL MG2 1 58 VAL H 5.080 . 5.080 4.874 4.215 5.174 0.094 17 0 "[ . 1 . 2]" 1
589 1 47 VAL MG2 1 58 VAL HB 4.650 . 4.650 3.420 3.123 3.670 . 0 0 "[ . 1 . 2]" 1
590 1 47 VAL MG2 1 58 VAL MG2 4.160 . 4.160 2.242 1.888 2.622 . 0 0 "[ . 1 . 2]" 1
591 1 47 VAL O 1 51 GLU H 2.200 . 2.200 2.032 1.937 2.194 . 0 0 "[ . 1 . 2]" 1
592 1 47 VAL O 1 51 GLU N 3.300 2.800 3.300 2.822 2.754 2.990 0.046 6 0 "[ . 1 . 2]" 1
593 1 48 MET H 1 49 ASP H 4.360 . 4.360 2.733 2.698 2.765 . 0 0 "[ . 1 . 2]" 1
594 1 48 MET HA 1 49 ASP H 5.440 . 5.440 3.559 3.550 3.570 . 0 0 "[ . 1 . 2]" 1
595 1 48 MET HA 1 51 GLU H 4.510 . 4.510 2.995 2.877 3.070 . 0 0 "[ . 1 . 2]" 1
596 1 48 MET HA 1 51 GLU HB2 3.380 . 3.380 2.240 2.086 2.481 . 0 0 "[ . 1 . 2]" 1
597 1 48 MET HA 1 51 GLU HB3 3.460 . 3.460 2.469 2.149 2.753 . 0 0 "[ . 1 . 2]" 1
598 1 48 MET HA 1 52 SER H 4.590 . 4.590 4.250 3.969 4.448 . 0 0 "[ . 1 . 2]" 1
599 1 48 MET HB2 1 49 ASP H 4.900 . 4.900 3.431 2.599 3.804 . 0 0 "[ . 1 . 2]" 1
600 1 48 MET HG3 1 49 ASP H 4.990 . 4.990 4.326 3.698 4.975 . 0 0 "[ . 1 . 2]" 1
601 1 48 MET O 1 52 SER H 2.200 . 2.200 2.142 1.896 2.291 0.091 5 0 "[ . 1 . 2]" 1
602 1 48 MET O 1 52 SER N 3.300 2.800 3.300 3.045 2.836 3.206 . 0 0 "[ . 1 . 2]" 1
603 1 49 ASP H 1 50 PHE H 4.760 . 4.760 2.788 2.746 2.820 . 0 0 "[ . 1 . 2]" 1
604 1 49 ASP HA 1 50 PHE H 5.440 . 5.440 3.537 3.522 3.546 . 0 0 "[ . 1 . 2]" 1
605 1 49 ASP HA 1 52 SER H 4.560 . 4.560 3.812 3.685 3.928 . 0 0 "[ . 1 . 2]" 1
606 1 49 ASP HB2 1 50 PHE H 4.940 . 4.940 3.738 3.697 3.790 . 0 0 "[ . 1 . 2]" 1
607 1 49 ASP HB3 1 50 PHE H 5.020 . 5.020 2.685 2.625 2.737 . 0 0 "[ . 1 . 2]" 1
608 1 49 ASP O 1 53 GLU H 2.200 . 2.200 2.149 1.914 2.252 0.052 4 0 "[ . 1 . 2]" 1
609 1 49 ASP O 1 53 GLU N 3.300 2.800 3.300 3.046 2.806 3.176 . 0 0 "[ . 1 . 2]" 1
610 1 50 PHE H 1 51 GLU H 4.580 . 4.580 2.415 2.356 2.488 . 0 0 "[ . 1 . 2]" 1
611 1 50 PHE HA 1 51 GLU H 5.400 . 5.400 3.488 3.466 3.516 . 0 0 "[ . 1 . 2]" 1
612 1 50 PHE HA 1 52 SER H 5.870 . 5.870 4.328 4.241 4.498 . 0 0 "[ . 1 . 2]" 1
613 1 50 PHE HA 1 53 GLU HB3 4.340 . 4.340 2.788 2.078 4.118 . 0 0 "[ . 1 . 2]" 1
614 1 50 PHE HB2 1 51 GLU H 5.400 . 5.400 2.875 2.640 3.080 . 0 0 "[ . 1 . 2]" 1
615 1 50 PHE HB2 1 54 PHE QD 5.700 . 5.700 3.655 3.396 3.915 . 0 0 "[ . 1 . 2]" 1
616 1 50 PHE HB3 1 51 GLU H 5.390 . 5.390 4.026 3.787 4.198 . 0 0 "[ . 1 . 2]" 1
617 1 50 PHE HB3 1 54 PHE H 4.500 . 4.500 4.364 4.182 4.540 0.040 11 0 "[ . 1 . 2]" 1
618 1 50 PHE HB3 1 76 ILE MD 5.700 . 5.700 2.407 2.066 2.703 . 0 0 "[ . 1 . 2]" 1
619 1 50 PHE QD 1 72 ILE MG 4.910 . 4.910 2.728 2.292 3.013 . 0 0 "[ . 1 . 2]" 1
620 1 50 PHE O 1 54 PHE H 2.200 . 2.200 1.952 1.871 2.087 . 0 0 "[ . 1 . 2]" 1
621 1 50 PHE O 1 54 PHE N 3.300 2.800 3.300 2.912 2.839 3.028 . 0 0 "[ . 1 . 2]" 1
622 1 51 GLU H 1 54 PHE H 4.700 . 4.700 4.811 4.762 4.869 0.169 11 0 "[ . 1 . 2]" 1
623 1 51 GLU HA 1 52 SER H 4.720 . 4.720 3.560 3.548 3.577 . 0 0 "[ . 1 . 2]" 1
624 1 51 GLU HA 1 53 GLU H 6.600 . 6.600 4.797 4.671 5.024 . 0 0 "[ . 1 . 2]" 1
625 1 51 GLU HA 1 54 PHE H 4.730 . 4.730 4.330 4.137 4.450 . 0 0 "[ . 1 . 2]" 1
626 1 51 GLU HA 1 56 VAL H 4.300 . 4.300 3.390 2.933 3.541 . 0 0 "[ . 1 . 2]" 1
627 1 51 GLU HA 1 56 VAL MG2 4.020 . 4.020 2.870 2.406 4.229 0.209 11 0 "[ . 1 . 2]" 1
628 1 51 GLU HA 1 58 VAL H 4.800 . 4.800 4.905 4.829 4.953 0.153 5 0 "[ . 1 . 2]" 1
629 1 51 GLU HA 1 75 TYR QD 7.850 . 7.850 6.569 6.057 7.078 . 0 0 "[ . 1 . 2]" 1
630 1 51 GLU HB3 1 52 SER H 4.900 . 4.900 2.505 2.407 2.560 . 0 0 "[ . 1 . 2]" 1
631 1 51 GLU HG2 1 58 VAL H 5.280 . 5.280 4.330 4.073 5.291 0.011 5 0 "[ . 1 . 2]" 1
632 1 51 GLU HG3 1 57 LYS HA 4.000 . 4.000 2.135 2.036 2.307 . 0 0 "[ . 1 . 2]" 1
633 1 51 GLU HG3 1 58 VAL H 4.720 . 4.720 2.834 2.654 3.590 . 0 0 "[ . 1 . 2]" 1
634 1 51 GLU O 1 56 VAL H 2.200 . 2.200 2.117 2.044 2.218 0.018 3 0 "[ . 1 . 2]" 1
635 1 51 GLU O 1 56 VAL N 3.300 2.700 3.300 2.913 2.843 3.054 . 0 0 "[ . 1 . 2]" 1
636 1 51 GLU OE2 1 57 LYS QZ 2.000 . 2.000 2.060 1.940 3.026 1.026 6 1 "[ .+ 1 . 2]" 1
637 1 52 SER H 1 53 GLU H 4.720 . 4.720 2.366 2.270 2.533 . 0 0 "[ . 1 . 2]" 1
638 1 52 SER HA 1 54 PHE H 4.650 . 4.650 4.614 4.527 4.693 0.043 2 0 "[ . 1 . 2]" 1
639 1 52 SER HA 1 55 GLY H 4.110 . 4.110 3.341 3.188 3.580 . 0 0 "[ . 1 . 2]" 1
640 1 52 SER HA 1 56 VAL H 4.450 . 4.450 4.132 3.908 4.599 0.149 5 0 "[ . 1 . 2]" 1
641 1 52 SER QB 1 54 PHE H 5.500 . 5.500 5.080 4.845 5.371 . 0 0 "[ . 1 . 2]" 1
642 1 53 GLU H 1 54 PHE H 4.400 . 4.400 2.856 2.813 2.927 . 0 0 "[ . 1 . 2]" 1
643 1 53 GLU HA 1 54 PHE H 4.960 . 4.960 3.589 3.582 3.596 . 0 0 "[ . 1 . 2]" 1
644 1 53 GLU HB3 1 54 PHE H 5.200 . 5.200 2.777 2.377 3.464 . 0 0 "[ . 1 . 2]" 1
645 1 53 GLU HG3 1 54 PHE H 5.420 . 5.420 4.222 3.564 4.992 . 0 0 "[ . 1 . 2]" 1
646 1 54 PHE H 1 55 GLY H 4.250 . 4.250 2.586 2.475 2.634 . 0 0 "[ . 1 . 2]" 1
647 1 54 PHE H 1 55 GLY QA 5.400 . 5.400 4.449 4.361 4.495 . 0 0 "[ . 1 . 2]" 1
648 1 54 PHE H 1 56 VAL H 4.910 . 4.910 3.854 3.811 3.921 . 0 0 "[ . 1 . 2]" 1
649 1 54 PHE HB2 1 55 GLY H 4.910 . 4.910 3.614 3.536 3.643 . 0 0 "[ . 1 . 2]" 1
650 1 54 PHE HB2 1 56 VAL MG1 4.600 . 4.600 3.207 1.935 3.630 . 0 0 "[ . 1 . 2]" 1
651 1 54 PHE HB2 1 56 VAL MG2 4.470 . 4.470 2.256 1.993 4.441 . 0 0 "[ . 1 . 2]" 1
652 1 54 PHE HB2 1 76 ILE MD 4.900 . 4.900 4.469 3.930 4.793 . 0 0 "[ . 1 . 2]" 1
653 1 54 PHE HB2 1 76 ILE MG 5.220 . 5.220 3.501 3.067 3.708 . 0 0 "[ . 1 . 2]" 1
654 1 54 PHE HB2 1 80 LEU QD 5.250 . 5.250 3.486 3.202 3.677 . 0 0 "[ . 1 . 2]" 1
655 1 54 PHE HB2 1 80 LEU HG 4.900 . 4.900 4.970 4.930 5.050 0.150 8 0 "[ . 1 . 2]" 1
656 1 54 PHE HB3 1 56 VAL H 4.200 . 4.200 4.148 4.019 4.261 0.061 11 0 "[ . 1 . 2]" 1
657 1 54 PHE HB3 1 56 VAL HB 4.850 . 4.850 4.823 3.401 5.031 0.181 8 0 "[ . 1 . 2]" 1
658 1 54 PHE HB3 1 56 VAL MG1 3.500 . 3.500 2.724 2.493 2.909 . 0 0 "[ . 1 . 2]" 1
659 1 54 PHE HB3 1 56 VAL MG2 4.410 . 4.410 2.805 2.435 4.526 0.116 18 0 "[ . 1 . 2]" 1
660 1 54 PHE HB3 1 76 ILE MG 3.260 . 3.260 3.131 2.636 3.333 0.073 3 0 "[ . 1 . 2]" 1
661 1 54 PHE HB3 1 80 LEU HG 4.520 . 4.520 3.679 3.331 3.796 . 0 0 "[ . 1 . 2]" 1
662 1 54 PHE QD 1 76 ILE MD 4.640 . 4.640 3.198 2.778 3.357 . 0 0 "[ . 1 . 2]" 1
663 1 54 PHE QD 1 80 LEU HG 5.570 . 5.570 4.131 2.811 4.412 . 0 0 "[ . 1 . 2]" 1
664 1 55 GLY H 1 56 VAL H 4.760 . 4.760 2.674 2.640 2.705 . 0 0 "[ . 1 . 2]" 1
665 1 55 GLY H 1 76 ILE MD 8.150 . 8.150 7.270 6.875 7.558 . 0 0 "[ . 1 . 2]" 1
666 1 55 GLY QA 1 56 VAL H 5.260 . 5.260 2.735 2.680 2.774 . 0 0 "[ . 1 . 2]" 1
667 1 56 VAL HA 1 57 LYS H 3.980 . 3.980 2.240 2.170 2.273 . 0 0 "[ . 1 . 2]" 1
668 1 56 VAL HA 1 80 LEU MD1 8.400 . 8.400 6.788 4.614 7.240 . 0 0 "[ . 1 . 2]" 1
669 1 56 VAL HB 1 57 LYS H 4.480 . 4.480 2.908 2.648 4.151 . 0 0 "[ . 1 . 2]" 1
670 1 56 VAL MG1 1 57 LYS H 5.100 . 5.100 3.778 3.714 3.928 . 0 0 "[ . 1 . 2]" 1
671 1 56 VAL MG1 1 76 ILE MG 5.000 . 5.000 3.932 2.738 4.546 . 0 0 "[ . 1 . 2]" 1
672 1 56 VAL MG1 1 79 LYS H 6.400 . 6.400 5.903 5.108 6.412 0.012 11 0 "[ . 1 . 2]" 1
673 1 56 VAL MG2 1 75 TYR QD 5.800 . 5.800 4.380 3.740 4.785 . 0 0 "[ . 1 . 2]" 1
674 1 56 VAL MG2 1 75 TYR QE 5.880 . 5.880 3.272 2.674 3.608 . 0 0 "[ . 1 . 2]" 1
675 1 56 VAL MG2 1 80 LEU HA 7.250 . 7.250 4.971 4.470 5.614 . 0 0 "[ . 1 . 2]" 1
676 1 57 LYS H 1 79 LYS QD 6.000 . 6.000 5.462 3.681 6.044 0.044 5 0 "[ . 1 . 2]" 1
677 1 57 LYS HA 1 58 VAL H 4.490 . 4.490 2.261 2.212 2.309 . 0 0 "[ . 1 . 2]" 1
678 1 57 LYS QG 1 59 ASP H 5.600 . 5.600 4.770 4.569 4.947 . 0 0 "[ . 1 . 2]" 1
679 1 58 VAL H 1 59 ASP H 5.690 . 5.690 4.470 4.432 4.506 . 0 0 "[ . 1 . 2]" 1
680 1 58 VAL HA 1 59 ASP H 4.190 . 4.190 2.143 2.119 2.164 . 0 0 "[ . 1 . 2]" 1
681 1 58 VAL HB 1 59 ASP H 4.880 . 4.880 2.851 2.694 3.149 . 0 0 "[ . 1 . 2]" 1
682 1 58 VAL HB 1 62 ASP H 4.850 . 4.850 5.051 4.909 5.167 0.317 18 0 "[ . 1 . 2]" 1
683 1 58 VAL HB 1 75 TYR QE 4.830 . 4.830 4.014 3.762 4.451 . 0 0 "[ . 1 . 2]" 1
684 1 58 VAL MG1 1 75 TYR QD 4.270 . 4.270 3.558 3.351 3.741 . 0 0 "[ . 1 . 2]" 1
685 1 58 VAL MG1 1 75 TYR QE 3.940 . 3.940 1.964 1.814 2.355 . 0 0 "[ . 1 . 2]" 1
686 1 58 VAL MG2 1 59 ASP H 4.850 . 4.850 3.799 3.727 3.978 . 0 0 "[ . 1 . 2]" 1
687 1 58 VAL MG2 1 62 ASP HA 7.600 . 7.600 6.647 6.418 6.895 . 0 0 "[ . 1 . 2]" 1
688 1 58 VAL MG2 1 62 ASP QB 5.200 . 5.200 4.019 3.794 4.265 . 0 0 "[ . 1 . 2]" 1
689 1 58 VAL MG2 1 75 TYR QD 7.050 . 7.050 5.788 5.541 6.041 . 0 0 "[ . 1 . 2]" 1
690 1 58 VAL MG2 1 75 TYR QE 6.050 . 6.050 4.583 4.294 4.780 . 0 0 "[ . 1 . 2]" 1
691 1 59 ASP H 1 61 ALA MB 6.300 . 6.300 5.198 4.769 5.503 . 0 0 "[ . 1 . 2]" 1
692 1 59 ASP H 1 62 ASP QB 3.550 . 3.550 2.385 2.141 2.567 . 0 0 "[ . 1 . 2]" 1
693 1 59 ASP H 1 62 ASP OD1 4.000 . 4.000 3.986 3.381 4.140 0.140 13 0 "[ . 1 . 2]" 1
694 1 59 ASP H 1 75 TYR QD 6.150 . 6.150 5.972 5.703 6.247 0.097 6 0 "[ . 1 . 2]" 1
695 1 59 ASP H 1 75 TYR QE 4.350 . 4.350 4.081 3.851 4.331 . 0 0 "[ . 1 . 2]" 1
696 1 59 ASP HA 1 60 ASP H 3.980 . 3.980 2.218 2.177 2.349 . 0 0 "[ . 1 . 2]" 1
697 1 59 ASP HA 1 61 ALA H 5.410 . 5.410 3.831 3.721 4.020 . 0 0 "[ . 1 . 2]" 1
698 1 59 ASP HA 1 62 ASP H 4.300 . 4.300 4.108 3.979 4.335 0.035 9 0 "[ . 1 . 2]" 1
699 1 59 ASP HA 1 63 LEU H 5.000 . 5.000 5.226 5.110 5.272 0.272 11 0 "[ . 1 . 2]" 1
700 1 59 ASP HB2 1 62 ASP H 4.260 . 4.260 3.314 1.804 3.841 . 0 0 "[ . 1 . 2]" 1
701 1 59 ASP HB3 1 60 ASP H 4.480 . 4.480 3.717 2.886 4.074 . 0 0 "[ . 1 . 2]" 1
702 1 59 ASP HB3 1 61 ALA H 3.270 . 3.270 3.488 2.809 3.757 0.487 10 0 "[ . 1 . 2]" 1
703 1 59 ASP N 1 62 ASP OD1 5.000 . 5.000 4.744 4.113 4.873 . 0 0 "[ . 1 . 2]" 1
704 1 59 ASP O 1 63 LEU H 2.200 . 2.200 2.025 1.964 2.109 . 0 0 "[ . 1 . 2]" 1
705 1 59 ASP O 1 63 LEU N 3.300 2.700 3.300 2.939 2.889 3.019 . 0 0 "[ . 1 . 2]" 1
706 1 59 ASP OD2 1 65 LYS QZ 2.500 . 2.500 2.728 2.369 3.292 0.792 20 2 "[ . 1 . -+]" 1
707 1 60 ASP H 1 61 ALA H 4.460 . 4.460 2.585 2.474 2.655 . 0 0 "[ . 1 . 2]" 1
708 1 60 ASP HA 1 61 ALA H 5.290 . 5.290 3.483 3.467 3.500 . 0 0 "[ . 1 . 2]" 1
709 1 60 ASP HA 1 62 ASP H 4.360 . 4.360 4.262 4.176 4.293 . 0 0 "[ . 1 . 2]" 1
710 1 60 ASP QB 1 61 ALA H 4.610 . 4.610 2.750 2.605 3.424 . 0 0 "[ . 1 . 2]" 1
711 1 60 ASP O 1 64 GLU H 2.200 . 2.200 2.325 2.234 2.385 0.185 3 0 "[ . 1 . 2]" 1
712 1 60 ASP O 1 64 GLU N 3.300 2.800 3.300 3.237 2.959 3.309 0.009 3 0 "[ . 1 . 2]" 1
713 1 61 ALA H 1 62 ASP H 4.670 . 4.670 2.589 2.547 2.639 . 0 0 "[ . 1 . 2]" 1
714 1 61 ALA MB 1 62 ASP H 4.870 . 4.870 2.628 2.571 2.729 . 0 0 "[ . 1 . 2]" 1
715 1 61 ALA MB 1 63 LEU H 5.450 . 5.450 4.525 4.486 4.612 . 0 0 "[ . 1 . 2]" 1
716 1 61 ALA O 1 65 LYS H 2.350 . 2.350 2.192 2.068 2.376 0.026 10 0 "[ . 1 . 2]" 1
717 1 61 ALA O 1 65 LYS N 3.300 2.800 3.300 3.015 2.935 3.192 . 0 0 "[ . 1 . 2]" 1
718 1 62 ASP H 1 65 LYS H 4.700 . 4.700 4.716 4.615 4.838 0.138 19 0 "[ . 1 . 2]" 1
719 1 62 ASP HA 1 63 LEU H 5.440 . 5.440 3.550 3.533 3.561 . 0 0 "[ . 1 . 2]" 1
720 1 62 ASP HA 1 64 GLU H 4.850 . 4.850 4.381 3.882 4.517 . 0 0 "[ . 1 . 2]" 1
721 1 62 ASP HA 1 75 TYR QE 6.350 . 6.350 4.217 4.070 4.506 . 0 0 "[ . 1 . 2]" 1
722 1 62 ASP QB 1 63 LEU H 4.600 . 4.600 2.619 2.521 2.662 . 0 0 "[ . 1 . 2]" 1
723 1 62 ASP QB 1 64 GLU QB 7.600 . 7.600 5.854 5.738 6.011 . 0 0 "[ . 1 . 2]" 1
724 1 62 ASP QB 1 66 ILE MD 4.810 . 4.810 2.379 1.892 3.658 . 0 0 "[ . 1 . 2]" 1
725 1 62 ASP QB 1 75 TYR HA 6.900 . 6.900 6.130 5.973 6.422 . 0 0 "[ . 1 . 2]" 1
726 1 62 ASP O 1 66 ILE H 2.250 . 2.250 2.249 2.060 2.355 0.105 3 0 "[ . 1 . 2]" 1
727 1 62 ASP O 1 66 ILE N 3.300 2.700 3.300 2.821 2.686 2.913 0.014 11 0 "[ . 1 . 2]" 1
728 1 62 ASP OD1 1 65 LYS QZ 2.500 . 2.500 1.884 1.756 2.163 0.044 19 0 "[ . 1 . 2]" 1
729 1 62 ASP OD2 1 79 LYS QZ 2.500 . 2.500 2.550 2.472 2.586 0.086 20 0 "[ . 1 . 2]" 1
730 1 63 LEU H 1 64 GLU H 4.780 . 4.780 2.784 2.627 2.835 . 0 0 "[ . 1 . 2]" 1
731 1 63 LEU H 1 64 GLU HA 5.300 . 5.300 5.372 5.250 5.410 0.110 6 0 "[ . 1 . 2]" 1
732 1 63 LEU HA 1 66 ILE H 4.810 . 4.810 3.465 3.280 3.766 . 0 0 "[ . 1 . 2]" 1
733 1 63 LEU HA 1 66 ILE MD 4.510 . 4.510 2.992 2.060 4.590 0.080 3 0 "[ . 1 . 2]" 1
734 1 63 LEU QB 1 64 GLU H 4.870 . 4.870 2.536 2.460 3.016 . 0 0 "[ . 1 . 2]" 1
735 1 64 GLU H 1 65 LYS H 4.760 . 4.760 2.617 2.346 2.755 . 0 0 "[ . 1 . 2]" 1
736 1 64 GLU H 1 66 ILE H 3.970 . 3.970 3.968 3.920 4.029 0.059 3 0 "[ . 1 . 2]" 1
737 1 64 GLU HA 1 65 LYS H 5.240 . 5.240 3.514 3.482 3.558 . 0 0 "[ . 1 . 2]" 1
738 1 64 GLU QB 1 65 LYS H 4.640 . 4.640 2.768 2.675 3.104 . 0 0 "[ . 1 . 2]" 1
739 1 65 LYS HA 1 66 ILE H 4.950 . 4.950 3.389 3.258 3.450 . 0 0 "[ . 1 . 2]" 1
740 1 65 LYS HB2 1 66 ILE H 5.300 . 5.300 3.429 3.087 4.384 . 0 0 "[ . 1 . 2]" 1
741 1 66 ILE HA 1 67 SER H 4.100 . 4.100 2.172 2.145 2.311 . 0 0 "[ . 1 . 2]" 1
742 1 66 ILE HA 1 71 ASP H 4.750 . 4.750 4.875 4.847 4.907 0.157 19 0 "[ . 1 . 2]" 1
743 1 66 ILE HA 1 71 ASP QB 4.860 . 4.860 1.989 1.964 2.005 . 0 0 "[ . 1 . 2]" 1
744 1 66 ILE MD 1 71 ASP QB 4.900 . 4.900 3.570 1.882 4.405 . 0 0 "[ . 1 . 2]" 1
745 1 66 ILE MD 1 72 ILE HA 4.500 . 4.500 3.100 2.655 3.990 . 0 0 "[ . 1 . 2]" 1
746 1 66 ILE MD 1 72 ILE HG13 6.950 . 6.950 5.192 4.420 5.935 . 0 0 "[ . 1 . 2]" 1
747 1 66 ILE MD 1 75 TYR HA 6.100 . 6.100 4.537 4.077 6.214 0.114 10 0 "[ . 1 . 2]" 1
748 1 66 ILE MD 1 75 TYR QB 4.900 . 4.900 2.584 1.992 3.918 . 0 0 "[ . 1 . 2]" 1
749 1 66 ILE MD 1 75 TYR QD 4.960 . 4.960 2.819 2.517 4.202 . 0 0 "[ . 1 . 2]" 1
750 1 66 ILE MD 1 75 TYR QE 6.300 . 6.300 3.531 3.144 4.633 . 0 0 "[ . 1 . 2]" 1
751 1 66 ILE HG12 1 72 ILE HA 5.530 . 5.530 3.954 3.369 5.288 . 0 0 "[ . 1 . 2]" 1
752 1 66 ILE MG 1 67 SER H 5.520 . 5.520 2.956 1.946 3.255 . 0 0 "[ . 1 . 2]" 1
753 1 66 ILE MG 1 70 GLY H 7.150 . 7.150 5.658 5.388 6.477 . 0 0 "[ . 1 . 2]" 1
754 1 66 ILE MG 1 71 ASP H 5.700 . 5.700 4.028 3.802 5.047 . 0 0 "[ . 1 . 2]" 1
755 1 66 ILE MG 1 75 TYR QB 6.550 . 6.550 3.707 3.382 5.017 . 0 0 "[ . 1 . 2]" 1
756 1 67 SER H 1 68 THR H 4.380 . 4.380 2.178 1.964 2.808 . 0 0 "[ . 1 . 2]" 1
757 1 67 SER H 1 68 THR HA 5.530 . 5.530 4.750 4.534 4.869 . 0 0 "[ . 1 . 2]" 1
758 1 67 SER H 1 71 ASP QB 4.590 . 4.590 2.576 2.486 2.620 . 0 0 "[ . 1 . 2]" 1
759 1 67 SER H 1 72 ILE H 5.180 . 5.180 5.139 4.341 5.259 0.079 5 0 "[ . 1 . 2]" 1
760 1 67 SER HA 1 68 THR MG 5.750 . 5.750 4.580 4.477 4.643 . 0 0 "[ . 1 . 2]" 1
761 1 67 SER QB 1 68 THR H 4.220 . 4.220 2.701 2.144 3.376 . 0 0 "[ . 1 . 2]" 1
762 1 68 THR H 1 70 GLY H 4.550 . 4.550 4.677 4.585 4.741 0.191 17 0 "[ . 1 . 2]" 1
763 1 68 THR H 1 71 ASP H 4.640 . 4.640 3.634 3.520 3.687 . 0 0 "[ . 1 . 2]" 1
764 1 68 THR H 1 71 ASP QB 4.100 . 4.100 2.991 2.826 3.125 . 0 0 "[ . 1 . 2]" 1
765 1 68 THR H 1 72 ILE H 6.010 . 6.010 4.948 4.735 5.059 . 0 0 "[ . 1 . 2]" 1
766 1 68 THR H 1 72 ILE HG12 5.760 . 5.760 5.267 4.852 5.975 0.215 17 0 "[ . 1 . 2]" 1
767 1 68 THR HA 1 69 VAL H 4.250 . 4.250 2.412 2.385 2.439 . 0 0 "[ . 1 . 2]" 1
768 1 68 THR HA 1 69 VAL MG1 6.600 . 6.600 5.587 5.559 5.605 . 0 0 "[ . 1 . 2]" 1
769 1 68 THR HA 1 70 GLY H 4.610 . 4.610 4.131 4.080 4.196 . 0 0 "[ . 1 . 2]" 1
770 1 68 THR HA 1 71 ASP H 5.880 . 5.880 4.753 4.677 4.839 . 0 0 "[ . 1 . 2]" 1
771 1 68 THR HB 1 69 VAL H 4.130 . 4.130 2.353 2.290 2.388 . 0 0 "[ . 1 . 2]" 1
772 1 68 THR HB 1 71 ASP H 4.620 . 4.620 4.072 3.998 4.139 . 0 0 "[ . 1 . 2]" 1
773 1 68 THR O 1 72 ILE H 2.350 . 2.350 2.402 2.343 2.448 0.098 3 0 "[ . 1 . 2]" 1
774 1 68 THR O 1 72 ILE N 3.300 2.700 3.300 3.315 3.252 3.354 0.054 3 0 "[ . 1 . 2]" 1
775 1 68 THR OG1 1 71 ASP H 4.000 . 4.000 2.832 2.725 2.913 . 0 0 "[ . 1 . 2]" 1
776 1 68 THR OG1 1 71 ASP N 5.000 . 5.000 3.738 3.622 3.808 . 0 0 "[ . 1 . 2]" 1
777 1 69 VAL H 1 70 GLY H 4.980 . 4.980 2.637 2.597 2.668 . 0 0 "[ . 1 . 2]" 1
778 1 69 VAL HA 1 72 ILE H 4.150 . 4.150 3.087 3.031 3.242 . 0 0 "[ . 1 . 2]" 1
779 1 69 VAL HA 1 72 ILE HB 4.600 . 4.600 2.495 2.416 2.612 . 0 0 "[ . 1 . 2]" 1
780 1 69 VAL HA 1 72 ILE HG12 3.580 . 3.580 2.966 2.630 3.965 0.385 4 0 "[ . 1 . 2]" 1
781 1 69 VAL HA 1 72 ILE MG 4.600 . 4.600 3.845 3.788 3.978 . 0 0 "[ . 1 . 2]" 1
782 1 69 VAL HA 1 73 VAL H 5.150 . 5.150 3.958 3.868 4.049 . 0 0 "[ . 1 . 2]" 1
783 1 69 VAL O 1 73 VAL H 2.200 . 2.200 1.830 1.802 1.854 . 0 0 "[ . 1 . 2]" 1
784 1 69 VAL O 1 73 VAL N 3.300 2.800 3.300 2.802 2.776 2.828 0.024 10 0 "[ . 1 . 2]" 1
785 1 70 GLY H 1 71 ASP H 4.880 . 4.880 2.675 2.658 2.713 . 0 0 "[ . 1 . 2]" 1
786 1 70 GLY HA2 1 71 ASP H 4.990 . 4.990 3.538 3.532 3.556 . 0 0 "[ . 1 . 2]" 1
787 1 70 GLY HA2 1 73 VAL H 3.880 . 3.880 3.575 3.509 3.657 . 0 0 "[ . 1 . 2]" 1
788 1 70 GLY HA3 1 73 VAL HB 4.740 . 4.740 4.345 4.227 4.410 . 0 0 "[ . 1 . 2]" 1
789 1 70 GLY O 1 74 SER H 2.200 . 2.200 1.843 1.823 1.860 . 0 0 "[ . 1 . 2]" 1
790 1 70 GLY O 1 74 SER N 3.300 2.800 3.300 2.811 2.789 2.832 0.011 10 0 "[ . 1 . 2]" 1
791 1 71 ASP H 1 72 ILE H 4.620 . 4.620 2.616 2.598 2.627 . 0 0 "[ . 1 . 2]" 1
792 1 71 ASP H 1 73 VAL HB 5.230 . 5.230 5.177 5.102 5.236 0.006 9 0 "[ . 1 . 2]" 1
793 1 71 ASP H 1 74 SER H 4.600 . 4.600 4.726 4.701 4.750 0.150 8 0 "[ . 1 . 2]" 1
794 1 71 ASP HA 1 72 ILE H 5.340 . 5.340 3.556 3.546 3.565 . 0 0 "[ . 1 . 2]" 1
795 1 71 ASP HA 1 74 SER H 4.450 . 4.450 3.632 3.560 3.761 . 0 0 "[ . 1 . 2]" 1
796 1 71 ASP HA 1 75 TYR H 3.800 . 3.800 3.762 3.682 3.840 0.040 17 0 "[ . 1 . 2]" 1
797 1 71 ASP QB 1 72 ILE H 4.980 . 4.980 2.629 2.596 2.669 . 0 0 "[ . 1 . 2]" 1
798 1 71 ASP QB 1 74 SER QB 6.500 . 6.500 4.864 4.379 5.427 . 0 0 "[ . 1 . 2]" 1
799 1 71 ASP O 1 75 TYR H 2.200 . 2.200 1.928 1.892 1.989 . 0 0 "[ . 1 . 2]" 1
800 1 71 ASP O 1 75 TYR N 3.300 2.800 3.300 2.781 2.755 2.813 0.045 6 0 "[ . 1 . 2]" 1
801 1 72 ILE H 1 73 VAL H 4.390 . 4.390 2.694 2.674 2.719 . 0 0 "[ . 1 . 2]" 1
802 1 72 ILE H 1 73 VAL HB 4.600 . 4.600 4.697 4.679 4.724 0.124 9 0 "[ . 1 . 2]" 1
803 1 72 ILE H 1 74 SER H 4.820 . 4.820 4.267 4.200 4.314 . 0 0 "[ . 1 . 2]" 1
804 1 72 ILE H 1 75 TYR QB 5.200 . 5.200 4.539 4.494 4.604 . 0 0 "[ . 1 . 2]" 1
805 1 72 ILE HA 1 73 VAL H 5.360 . 5.360 3.553 3.541 3.564 . 0 0 "[ . 1 . 2]" 1
806 1 72 ILE HA 1 74 SER H 4.890 . 4.890 4.846 4.788 4.899 0.009 8 0 "[ . 1 . 2]" 1
807 1 72 ILE HA 1 75 TYR H 4.120 . 4.120 3.755 3.669 3.865 . 0 0 "[ . 1 . 2]" 1
808 1 72 ILE HA 1 75 TYR QD 4.950 . 4.950 4.240 3.999 4.455 . 0 0 "[ . 1 . 2]" 1
809 1 72 ILE HA 1 76 ILE H 4.500 . 4.500 4.325 4.178 4.418 . 0 0 "[ . 1 . 2]" 1
810 1 72 ILE HA 1 76 ILE HG12 5.520 . 5.520 5.441 5.242 5.552 0.032 17 0 "[ . 1 . 2]" 1
811 1 72 ILE HB 1 73 VAL H 4.550 . 4.550 2.349 2.270 2.441 . 0 0 "[ . 1 . 2]" 1
812 1 72 ILE MG 1 73 VAL H 5.260 . 5.260 3.151 3.050 3.337 . 0 0 "[ . 1 . 2]" 1
813 1 72 ILE MG 1 76 ILE MD 4.800 . 4.800 2.542 2.421 2.654 . 0 0 "[ . 1 . 2]" 1
814 1 72 ILE O 1 76 ILE H 2.300 . 2.300 2.247 2.186 2.303 0.003 20 0 "[ . 1 . 2]" 1
815 1 72 ILE O 1 76 ILE N 3.300 2.800 3.300 3.199 3.154 3.256 . 0 0 "[ . 1 . 2]" 1
816 1 73 VAL H 1 74 SER H 4.630 . 4.630 2.831 2.807 2.862 . 0 0 "[ . 1 . 2]" 1
817 1 73 VAL H 1 74 SER QB 5.700 . 5.700 4.843 4.530 5.035 . 0 0 "[ . 1 . 2]" 1
818 1 73 VAL H 1 75 TYR QD 7.400 . 7.400 6.587 6.416 6.736 . 0 0 "[ . 1 . 2]" 1
819 1 73 VAL HA 1 74 SER H 5.530 . 5.530 3.573 3.565 3.580 . 0 0 "[ . 1 . 2]" 1
820 1 73 VAL HA 1 76 ILE MD 4.670 . 4.670 3.120 2.914 3.608 . 0 0 "[ . 1 . 2]" 1
821 1 73 VAL HB 1 74 SER H 4.450 . 4.450 2.457 2.437 2.473 . 0 0 "[ . 1 . 2]" 1
822 1 73 VAL MG1 1 74 SER H 4.790 . 4.790 3.155 3.138 3.185 . 0 0 "[ . 1 . 2]" 1
823 1 73 VAL MG1 1 74 SER HA 4.500 . 4.500 3.316 3.280 3.339 . 0 0 "[ . 1 . 2]" 1
824 1 73 VAL MG2 1 74 SER H 5.050 . 5.050 3.866 3.856 3.877 . 0 0 "[ . 1 . 2]" 1
825 1 73 VAL O 1 77 GLU H 2.200 . 2.200 2.219 1.966 2.307 0.107 5 0 "[ . 1 . 2]" 1
826 1 73 VAL O 1 77 GLU N 3.300 2.800 3.300 3.165 2.882 3.264 . 0 0 "[ . 1 . 2]" 1
827 1 74 SER H 1 75 TYR H 4.520 . 4.520 2.667 2.640 2.698 . 0 0 "[ . 1 . 2]" 1
828 1 74 SER HA 1 75 TYR H 5.360 . 5.360 3.517 3.500 3.531 . 0 0 "[ . 1 . 2]" 1
829 1 74 SER HA 1 77 GLU H 4.790 . 4.790 3.569 3.439 3.714 . 0 0 "[ . 1 . 2]" 1
830 1 74 SER HA 1 77 GLU HG3 4.350 . 4.350 3.877 3.530 4.627 0.277 8 0 "[ . 1 . 2]" 1
831 1 74 SER HB2 1 75 TYR H 4.760 . 4.760 3.397 2.678 3.945 . 0 0 "[ . 1 . 2]" 1
832 1 74 SER HB2 1 78 LYS QB 5.500 . 5.500 5.194 4.400 5.631 0.131 2 0 "[ . 1 . 2]" 1
833 1 74 SER HB3 1 75 TYR H 4.180 . 4.180 3.656 2.650 3.997 . 0 0 "[ . 1 . 2]" 1
834 1 74 SER O 1 78 LYS H 2.200 . 2.200 2.127 1.862 2.274 0.074 3 0 "[ . 1 . 2]" 1
835 1 74 SER O 1 78 LYS N 3.300 2.800 3.300 3.035 2.771 3.187 0.029 11 0 "[ . 1 . 2]" 1
836 1 75 TYR H 1 76 ILE H 4.500 . 4.500 2.792 2.758 2.827 . 0 0 "[ . 1 . 2]" 1
837 1 75 TYR H 1 76 ILE HG12 5.650 . 5.650 5.840 5.797 5.875 0.225 8 0 "[ . 1 . 2]" 1
838 1 75 TYR H 1 77 GLU H 4.540 . 4.540 4.153 4.023 4.212 . 0 0 "[ . 1 . 2]" 1
839 1 75 TYR HA 1 76 ILE H 5.530 . 5.530 3.562 3.554 3.571 . 0 0 "[ . 1 . 2]" 1
840 1 75 TYR HA 1 76 ILE HG12 5.900 . 5.900 6.087 5.984 6.114 0.214 14 0 "[ . 1 . 2]" 1
841 1 75 TYR QB 1 76 ILE H 4.210 . 4.210 2.440 2.400 2.469 . 0 0 "[ . 1 . 2]" 1
842 1 75 TYR QB 1 78 LYS H 5.880 . 5.880 5.194 5.147 5.247 . 0 0 "[ . 1 . 2]" 1
843 1 75 TYR QD 1 76 ILE H 5.050 . 5.050 3.269 3.022 3.393 . 0 0 "[ . 1 . 2]" 1
844 1 75 TYR QD 1 76 ILE HB 6.300 . 6.300 4.888 4.531 5.031 . 0 0 "[ . 1 . 2]" 1
845 1 75 TYR QD 1 79 LYS HB2 4.830 . 4.830 3.778 3.617 4.298 . 0 0 "[ . 1 . 2]" 1
846 1 75 TYR O 1 79 LYS H 2.200 . 2.200 1.874 1.821 2.062 . 0 0 "[ . 1 . 2]" 1
847 1 75 TYR O 1 79 LYS N 3.300 2.800 3.300 2.774 2.730 2.942 0.070 10 0 "[ . 1 . 2]" 1
848 1 76 ILE H 1 77 GLU H 4.480 . 4.480 2.634 2.526 2.677 . 0 0 "[ . 1 . 2]" 1
849 1 76 ILE H 1 77 GLU HB2 4.720 . 4.720 4.680 4.488 4.730 0.010 9 0 "[ . 1 . 2]" 1
850 1 76 ILE H 1 79 LYS H 4.930 . 4.930 4.656 4.599 4.710 . 0 0 "[ . 1 . 2]" 1
851 1 76 ILE H 1 79 LYS HB2 5.200 . 5.200 4.987 4.557 5.294 0.094 11 0 "[ . 1 . 2]" 1
852 1 76 ILE HA 1 79 LYS HB3 3.400 . 3.400 2.710 2.515 3.655 0.255 18 0 "[ . 1 . 2]" 1
853 1 76 ILE HB 1 77 GLU H 4.360 . 4.360 2.656 2.517 2.698 . 0 0 "[ . 1 . 2]" 1
854 1 76 ILE MD 1 80 LEU H 7.800 . 7.800 6.554 6.397 6.653 . 0 0 "[ . 1 . 2]" 1
855 1 76 ILE HG12 1 77 GLU H 4.800 . 4.800 4.946 4.863 4.976 0.176 9 0 "[ . 1 . 2]" 1
856 1 76 ILE HG13 1 77 GLU H 4.630 . 4.630 4.127 3.993 4.165 . 0 0 "[ . 1 . 2]" 1
857 1 76 ILE MG 1 77 GLU H 5.080 . 5.080 3.581 3.549 3.611 . 0 0 "[ . 1 . 2]" 1
858 1 76 ILE MG 1 80 LEU HG 4.990 . 4.990 2.817 2.514 2.979 . 0 0 "[ . 1 . 2]" 1
859 1 76 ILE O 1 80 LEU H 2.200 . 2.200 2.165 1.862 2.246 0.046 6 0 "[ . 1 . 2]" 1
860 1 76 ILE O 1 80 LEU N 3.300 2.800 3.300 3.118 2.820 3.202 . 0 0 "[ . 1 . 2]" 1
861 1 77 GLU H 1 78 LYS H 4.430 . 4.430 2.773 2.731 2.831 . 0 0 "[ . 1 . 2]" 1
862 1 77 GLU H 1 80 LEU H 5.240 . 5.240 4.977 4.777 5.053 . 0 0 "[ . 1 . 2]" 1
863 1 77 GLU HA 1 78 LYS H 5.190 . 5.190 3.566 3.554 3.593 . 0 0 "[ . 1 . 2]" 1
864 1 77 GLU HA 1 80 LEU H 4.500 . 4.500 4.304 3.875 4.497 . 0 0 "[ . 1 . 2]" 1
865 1 77 GLU HB2 1 78 LYS H 4.580 . 4.580 2.943 2.616 3.817 . 0 0 "[ . 1 . 2]" 1
866 1 77 GLU HB3 1 78 LYS HA 4.480 . 4.480 4.277 4.028 4.331 . 0 0 "[ . 1 . 2]" 1
867 1 78 LYS H 1 79 LYS HA 5.050 . 5.050 5.034 4.977 5.128 0.078 11 0 "[ . 1 . 2]" 1
868 1 78 LYS H 1 80 LEU H 4.120 . 4.120 4.161 4.112 4.203 0.083 18 0 "[ . 1 . 2]" 1
869 1 78 LYS QB 1 79 LYS H 3.950 . 3.950 2.703 2.526 3.579 . 0 0 "[ . 1 . 2]" 1
870 1 79 LYS HA 1 80 LEU H 4.240 . 4.240 3.565 3.559 3.581 . 0 0 "[ . 1 . 2]" 1
871 1 79 LYS HA 1 81 GLY H 4.380 . 4.380 4.208 4.139 4.250 . 0 0 "[ . 1 . 2]" 1
872 1 79 LYS HB3 1 80 LEU HA 4.210 . 4.210 4.157 3.959 4.244 0.034 11 0 "[ . 1 . 2]" 1
873 1 79 LYS HB3 1 81 GLY H 4.800 . 4.800 4.845 4.805 5.126 0.326 18 0 "[ . 1 . 2]" 1
874 1 79 LYS QG 1 80 LEU HA 4.980 . 4.980 3.905 3.691 5.711 0.731 18 1 "[ . 1 . + 2]" 1
875 1 80 LEU H 1 81 GLY H 4.600 . 4.600 2.594 2.576 2.622 . 0 0 "[ . 1 . 2]" 1
876 1 80 LEU HA 1 81 GLY H 4.580 . 4.580 3.505 3.477 3.515 . 0 0 "[ . 1 . 2]" 1
877 1 80 LEU HB2 1 81 GLY H 5.400 . 5.400 2.959 2.937 3.077 . 0 0 "[ . 1 . 2]" 1
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