Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
591082 | 2mp1 RC | 19960 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mp1
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 934
_Distance_constraint_stats_list.Viol_count 1663
_Distance_constraint_stats_list.Viol_total 1863.669
_Distance_constraint_stats_list.Viol_max 0.393
_Distance_constraint_stats_list.Viol_rms 0.0210
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0560
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.430 0.109 17 0 "[ . 1 . 2]"
1 5 ALA 2.875 0.228 14 0 "[ . 1 . 2]"
1 6 GLU 4.527 0.251 13 0 "[ . 1 . 2]"
1 7 ASP 3.030 0.159 4 0 "[ . 1 . 2]"
1 8 CYS 2.490 0.152 4 0 "[ . 1 . 2]"
1 9 CYS 2.843 0.215 6 0 "[ . 1 . 2]"
1 10 LEU 1.397 0.137 19 0 "[ . 1 . 2]"
1 11 SER 3.645 0.255 2 0 "[ . 1 . 2]"
1 12 VAL 4.975 0.197 9 0 "[ . 1 . 2]"
1 13 THR 1.399 0.137 13 0 "[ . 1 . 2]"
1 14 GLN 0.446 0.059 17 0 "[ . 1 . 2]"
1 15 LYS 2.679 0.294 17 0 "[ . 1 . 2]"
1 16 PRO 10.660 0.241 5 0 "[ . 1 . 2]"
1 17 ILE 0.789 0.092 11 0 "[ . 1 . 2]"
1 18 PRO 0.127 0.026 5 0 "[ . 1 . 2]"
1 19 GLY 0.603 0.097 6 0 "[ . 1 . 2]"
1 20 TYR 4.622 0.160 11 0 "[ . 1 . 2]"
1 21 ILE 0.225 0.035 18 0 "[ . 1 . 2]"
1 22 VAL 4.140 0.138 12 0 "[ . 1 . 2]"
1 23 ARG 2.114 0.128 7 0 "[ . 1 . 2]"
1 24 ASN 0.263 0.123 12 0 "[ . 1 . 2]"
1 25 PHE 3.222 0.099 8 0 "[ . 1 . 2]"
1 26 HIS 0.495 0.090 1 0 "[ . 1 . 2]"
1 27 TYR 4.952 0.176 16 0 "[ . 1 . 2]"
1 28 LEU 4.654 0.177 16 0 "[ . 1 . 2]"
1 29 LEU 2.407 0.177 16 0 "[ . 1 . 2]"
1 30 ILE 2.704 0.177 8 0 "[ . 1 . 2]"
1 31 LYS 0.866 0.173 2 0 "[ . 1 . 2]"
1 32 ASP 0.928 0.123 16 0 "[ . 1 . 2]"
1 33 GLY 1.925 0.177 8 0 "[ . 1 . 2]"
1 34 CYS 0.787 0.183 13 0 "[ . 1 . 2]"
1 35 ARG 0.499 0.183 13 0 "[ . 1 . 2]"
1 36 VAL 0.761 0.096 19 0 "[ . 1 . 2]"
1 37 PRO 0.242 0.057 8 0 "[ . 1 . 2]"
1 38 ALA 0.313 0.088 20 0 "[ . 1 . 2]"
1 39 VAL 2.643 0.098 3 0 "[ . 1 . 2]"
1 40 VAL 5.113 0.140 14 0 "[ . 1 . 2]"
1 41 PHE 4.244 0.114 16 0 "[ . 1 . 2]"
1 42 THR 3.442 0.128 7 0 "[ . 1 . 2]"
1 43 THR 1.659 0.085 1 0 "[ . 1 . 2]"
1 44 LEU 2.960 0.115 11 0 "[ . 1 . 2]"
1 45 ARG 1.267 0.070 4 0 "[ . 1 . 2]"
1 46 GLY 0.195 0.044 11 0 "[ . 1 . 2]"
1 47 ARG 2.216 0.141 10 0 "[ . 1 . 2]"
1 48 GLN 1.174 0.141 10 0 "[ . 1 . 2]"
1 49 LEU 4.145 0.173 17 0 "[ . 1 . 2]"
1 50 CYS 6.172 0.255 2 0 "[ . 1 . 2]"
1 51 ALA 5.732 0.241 5 0 "[ . 1 . 2]"
1 52 PRO 3.266 0.133 16 0 "[ . 1 . 2]"
1 53 PRO 0.341 0.048 3 0 "[ . 1 . 2]"
1 54 ASP 0.017 0.009 2 0 "[ . 1 . 2]"
1 55 GLN 0.176 0.064 10 0 "[ . 1 . 2]"
1 56 PRO 0.564 0.104 12 0 "[ . 1 . 2]"
1 57 TRP 4.637 0.104 12 0 "[ . 1 . 2]"
1 58 VAL 2.156 0.158 15 0 "[ . 1 . 2]"
1 59 GLU 0.406 0.062 9 0 "[ . 1 . 2]"
1 60 ARG 0.992 0.113 11 0 "[ . 1 . 2]"
1 61 ILE 6.164 0.160 11 0 "[ . 1 . 2]"
1 62 ILE 2.288 0.116 13 0 "[ . 1 . 2]"
1 63 GLN 2.019 0.175 11 0 "[ . 1 . 2]"
1 64 ARG 2.603 0.175 11 0 "[ . 1 . 2]"
1 65 LEU 4.171 0.205 3 0 "[ . 1 . 2]"
1 66 GLN 1.919 0.080 5 0 "[ . 1 . 2]"
1 67 ARG 1.194 0.144 10 0 "[ . 1 . 2]"
1 68 THR 3.530 0.393 6 0 "[ . 1 . 2]"
1 69 SER 2.682 0.146 15 0 "[ . 1 . 2]"
1 70 ALA 0.443 0.089 2 0 "[ . 1 . 2]"
1 71 LYS 0.904 0.114 6 0 "[ . 1 . 2]"
1 72 MET 1.688 0.131 2 0 "[ . 1 . 2]"
1 73 LYS 0.233 0.051 8 0 "[ . 1 . 2]"
1 74 ARG 0.090 0.050 6 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 THR H . . 4.650 2.256 2.095 2.926 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 3 ASN H . . 3.930 2.465 2.100 3.575 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASN HB2 1 4 ASP H . . 5.500 4.051 2.366 4.553 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASN HB3 1 4 ASP H . . 5.370 3.807 2.434 4.452 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASP H 1 4 ASP HB2 . . 4.080 3.037 2.486 3.999 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASP H 1 4 ASP HB3 . . 3.810 3.206 2.383 3.788 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASP HA 1 5 ALA H . . 3.370 2.573 2.051 3.464 0.094 5 0 "[ . 1 . 2]" 1
8 1 4 ASP HB3 1 5 ALA H . . 4.170 3.406 2.116 4.279 0.109 17 0 "[ . 1 . 2]" 1
9 1 5 ALA H 1 5 ALA MB . . 3.530 2.303 2.255 2.361 . 0 0 "[ . 1 . 2]" 1
10 1 5 ALA HA 1 6 GLU H . . 3.100 3.222 3.148 3.328 0.228 14 0 "[ . 1 . 2]" 1
11 1 5 ALA MB 1 6 GLU H . . 3.830 3.047 2.584 3.307 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLU H 1 6 GLU HB2 . . 3.880 3.434 2.384 3.964 0.084 8 0 "[ . 1 . 2]" 1
13 1 6 GLU H 1 6 GLU HB3 . . 3.600 3.352 2.644 3.851 0.251 13 0 "[ . 1 . 2]" 1
14 1 6 GLU H 1 6 GLU QG . . 3.760 2.800 1.966 3.917 0.157 4 0 "[ . 1 . 2]" 1
15 1 6 GLU HA 1 7 ASP H . . 3.200 2.426 2.021 3.359 0.159 4 0 "[ . 1 . 2]" 1
16 1 6 GLU HB2 1 7 ASP H . . 4.130 3.431 2.374 4.164 0.034 8 0 "[ . 1 . 2]" 1
17 1 6 GLU HB2 1 8 CYS H . . 5.050 3.724 2.652 5.149 0.099 4 0 "[ . 1 . 2]" 1
18 1 6 GLU HB3 1 7 ASP H . . 4.630 3.379 1.820 4.484 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLU QG 1 7 ASP H . . 4.260 3.814 1.781 4.360 0.100 3 0 "[ . 1 . 2]" 1
20 1 7 ASP H 1 7 ASP HB2 . . 3.880 2.860 2.342 3.721 . 0 0 "[ . 1 . 2]" 1
21 1 7 ASP H 1 7 ASP HB3 . . 3.480 2.828 2.481 3.599 0.119 19 0 "[ . 1 . 2]" 1
22 1 7 ASP H 1 8 CYS H . . 3.650 2.577 1.791 3.749 0.099 2 0 "[ . 1 . 2]" 1
23 1 7 ASP HA 1 8 CYS H . . 3.290 2.990 1.996 3.442 0.152 4 0 "[ . 1 . 2]" 1
24 1 7 ASP HA 1 28 LEU MD1 . . 4.540 4.440 3.631 4.658 0.118 11 0 "[ . 1 . 2]" 1
25 1 7 ASP HB3 1 8 CYS H . . 4.260 3.608 2.149 4.325 0.065 10 0 "[ . 1 . 2]" 1
26 1 8 CYS CB 1 34 CYS CB . . 3.720 3.673 3.563 3.809 0.089 10 0 "[ . 1 . 2]" 1
27 1 8 CYS CB 1 34 CYS SG . . 3.100 3.053 2.974 3.108 0.008 7 0 "[ . 1 . 2]" 1
28 1 8 CYS H 1 8 CYS HB2 . . 3.910 3.388 2.334 3.904 . 0 0 "[ . 1 . 2]" 1
29 1 8 CYS H 1 8 CYS HB3 . . 3.360 3.161 2.538 3.506 0.146 18 0 "[ . 1 . 2]" 1
30 1 8 CYS H 1 9 CYS H . . 4.710 4.401 4.202 4.556 . 0 0 "[ . 1 . 2]" 1
31 1 8 CYS H 1 28 LEU MD1 . . 4.650 3.867 3.396 4.407 . 0 0 "[ . 1 . 2]" 1
32 1 8 CYS HA 1 9 CYS H . . 3.200 2.565 2.126 2.934 . 0 0 "[ . 1 . 2]" 1
33 1 8 CYS HA 1 28 LEU MD1 . . 3.860 2.115 1.809 2.946 . 0 0 "[ . 1 . 2]" 1
34 1 8 CYS HA 1 28 LEU MD2 . . 4.440 3.524 2.622 4.440 . 0 0 "[ . 1 . 2]" 1
35 1 8 CYS HB2 1 9 CYS H . . 3.750 2.808 1.829 3.839 0.089 3 0 "[ . 1 . 2]" 1
36 1 8 CYS HB3 1 9 CYS H . . 4.360 3.298 2.212 3.969 . 0 0 "[ . 1 . 2]" 1
37 1 8 CYS SG 1 34 CYS CB . . 3.100 3.063 2.971 3.110 0.010 4 0 "[ . 1 . 2]" 1
38 1 8 CYS SG 1 34 CYS SG . . 2.100 2.031 2.013 2.052 . 0 0 "[ . 1 . 2]" 1
39 1 9 CYS CB 1 50 CYS CB . . 3.720 3.756 3.596 3.935 0.215 6 0 "[ . 1 . 2]" 1
40 1 9 CYS CB 1 50 CYS SG . . 3.100 2.984 2.902 3.025 . 0 0 "[ . 1 . 2]" 1
41 1 9 CYS H 1 9 CYS QB . . 3.350 2.330 2.142 2.590 . 0 0 "[ . 1 . 2]" 1
42 1 9 CYS H 1 10 LEU H . . 4.730 4.451 4.368 4.573 . 0 0 "[ . 1 . 2]" 1
43 1 9 CYS H 1 28 LEU MD1 . . 4.140 3.621 2.465 4.206 0.066 4 0 "[ . 1 . 2]" 1
44 1 9 CYS H 1 38 ALA MB . . 4.490 3.831 3.177 4.491 0.001 8 0 "[ . 1 . 2]" 1
45 1 9 CYS HA 1 10 LEU H . . 3.320 2.452 2.033 2.761 . 0 0 "[ . 1 . 2]" 1
46 1 9 CYS HA 1 36 VAL MG1 . . 4.820 4.539 4.161 4.805 . 0 0 "[ . 1 . 2]" 1
47 1 9 CYS QB 1 10 LEU H . . 4.260 2.704 1.936 3.475 . 0 0 "[ . 1 . 2]" 1
48 1 9 CYS QB 1 11 SER H . . 3.670 3.513 2.449 3.805 0.135 16 0 "[ . 1 . 2]" 1
49 1 9 CYS QB 1 12 VAL MG1 . . 4.460 3.840 3.247 4.282 . 0 0 "[ . 1 . 2]" 1
50 1 9 CYS QB 1 28 LEU MD1 . . 5.370 4.393 2.925 5.475 0.105 20 0 "[ . 1 . 2]" 1
51 1 9 CYS QB 1 36 VAL MG2 . . 5.190 3.496 2.351 4.446 . 0 0 "[ . 1 . 2]" 1
52 1 9 CYS QB 1 38 ALA HA . . 5.500 5.154 4.579 5.588 0.088 20 0 "[ . 1 . 2]" 1
53 1 9 CYS QB 1 38 ALA MB . . 3.570 2.438 1.932 2.791 . 0 0 "[ . 1 . 2]" 1
54 1 9 CYS QB 1 50 CYS H . . 4.760 4.550 3.650 4.849 0.089 6 0 "[ . 1 . 2]" 1
55 1 9 CYS QB 1 50 CYS HB2 . . 4.900 3.692 2.531 4.102 . 0 0 "[ . 1 . 2]" 1
56 1 9 CYS SG 1 50 CYS CB . . 3.100 3.005 2.935 3.100 . 0 0 "[ . 1 . 2]" 1
57 1 9 CYS SG 1 50 CYS SG . . 2.100 2.003 1.987 2.024 . 0 0 "[ . 1 . 2]" 1
58 1 10 LEU H 1 10 LEU HB2 . . 3.360 2.531 2.447 2.689 . 0 0 "[ . 1 . 2]" 1
59 1 10 LEU H 1 10 LEU MD1 . . 4.280 3.646 1.649 4.294 0.014 15 0 "[ . 1 . 2]" 1
60 1 10 LEU H 1 10 LEU MD2 . . 4.430 3.613 2.133 4.364 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU H 1 10 LEU HG . . 4.740 3.451 2.067 4.724 . 0 0 "[ . 1 . 2]" 1
62 1 10 LEU H 1 11 SER H . . 3.240 2.525 2.068 3.188 . 0 0 "[ . 1 . 2]" 1
63 1 10 LEU H 1 36 VAL MG2 . . 4.730 4.739 4.468 4.826 0.096 19 0 "[ . 1 . 2]" 1
64 1 10 LEU HA 1 10 LEU MD1 . . 4.780 3.495 2.078 3.890 . 0 0 "[ . 1 . 2]" 1
65 1 10 LEU HA 1 10 LEU MD2 . . 3.400 2.550 1.925 3.537 0.137 19 0 "[ . 1 . 2]" 1
66 1 10 LEU HA 1 11 SER H . . 4.200 3.616 3.559 3.690 . 0 0 "[ . 1 . 2]" 1
67 1 10 LEU HB2 1 10 LEU MD1 . . 3.440 2.507 2.278 3.231 . 0 0 "[ . 1 . 2]" 1
68 1 10 LEU HB2 1 10 LEU MD2 . . 3.410 2.936 2.348 3.233 . 0 0 "[ . 1 . 2]" 1
69 1 10 LEU HB2 1 11 SER H . . 3.990 2.747 1.974 3.640 . 0 0 "[ . 1 . 2]" 1
70 1 10 LEU HB3 1 11 SER H . . 5.240 3.063 2.012 3.792 . 0 0 "[ . 1 . 2]" 1
71 1 10 LEU MD1 1 10 LEU MD2 . . 2.580 2.083 2.053 2.110 . 0 0 "[ . 1 . 2]" 1
72 1 10 LEU MD2 1 11 SER H . . 4.620 4.167 2.993 4.688 0.068 16 0 "[ . 1 . 2]" 1
73 1 11 SER H 1 11 SER QB . . 3.720 3.097 2.903 3.384 . 0 0 "[ . 1 . 2]" 1
74 1 11 SER H 1 50 CYS H . . 4.730 4.861 4.754 4.985 0.255 2 0 "[ . 1 . 2]" 1
75 1 11 SER HA 1 12 VAL H . . 3.240 2.405 2.206 2.689 . 0 0 "[ . 1 . 2]" 1
76 1 11 SER HA 1 36 VAL MG2 . . 4.300 2.850 2.100 3.816 . 0 0 "[ . 1 . 2]" 1
77 1 11 SER QB 1 12 VAL H . . 3.560 2.789 2.233 3.513 . 0 0 "[ . 1 . 2]" 1
78 1 12 VAL H 1 12 VAL HB . . 4.400 3.787 3.680 3.916 . 0 0 "[ . 1 . 2]" 1
79 1 12 VAL H 1 12 VAL MG1 . . 4.300 2.355 2.077 2.775 . 0 0 "[ . 1 . 2]" 1
80 1 12 VAL H 1 12 VAL MG2 . . 3.610 2.681 2.560 2.815 . 0 0 "[ . 1 . 2]" 1
81 1 12 VAL H 1 36 VAL MG2 . . 5.500 4.373 3.611 5.100 . 0 0 "[ . 1 . 2]" 1
82 1 12 VAL HA 1 13 THR H . . 3.090 2.347 2.218 2.527 . 0 0 "[ . 1 . 2]" 1
83 1 12 VAL HA 1 50 CYS HB3 . . 4.350 3.788 3.085 4.437 0.087 10 0 "[ . 1 . 2]" 1
84 1 12 VAL HB 1 13 THR H . . 4.190 2.708 2.528 2.920 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL HB 1 16 PRO HB2 . . 5.130 5.188 5.144 5.252 0.122 18 0 "[ . 1 . 2]" 1
86 1 12 VAL HB 1 16 PRO HD2 . . 4.450 4.358 4.119 4.489 0.039 6 0 "[ . 1 . 2]" 1
87 1 12 VAL HB 1 16 PRO HD3 . . 5.200 3.348 3.000 3.707 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL HB 1 16 PRO HG2 . . 5.340 4.406 4.168 4.605 . 0 0 "[ . 1 . 2]" 1
89 1 12 VAL HB 1 51 ALA HA . . 4.290 2.218 2.093 2.391 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL MG1 1 12 VAL MG2 . . 3.000 2.084 2.052 2.102 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL MG1 1 13 THR H . . 4.450 4.034 3.925 4.168 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL MG1 1 39 VAL H . . 4.580 3.827 3.614 4.067 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL MG1 1 50 CYS HA . . 4.290 3.408 3.121 3.738 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL MG1 1 50 CYS HB2 . . 4.590 2.329 1.949 2.743 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL MG1 1 50 CYS HB3 . . 4.090 1.984 1.843 2.259 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL MG1 1 51 ALA H . . 4.460 3.043 2.889 3.264 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL MG1 1 51 ALA HA . . 4.730 2.838 2.621 3.133 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL MG1 1 53 PRO HD2 . . 4.880 3.948 3.509 4.338 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL MG2 1 13 THR H . . 4.020 2.899 2.699 3.217 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL MG2 1 16 PRO HD2 . . 4.570 4.014 3.774 4.308 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL MG2 1 16 PRO HG2 . . 4.680 4.841 4.809 4.877 0.197 9 0 "[ . 1 . 2]" 1
102 1 12 VAL MG2 1 16 PRO HG3 . . 5.020 3.737 3.660 3.806 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL MG2 1 51 ALA H . . 5.280 4.915 4.554 5.126 . 0 0 "[ . 1 . 2]" 1
104 1 13 THR H 1 13 THR HB . . 3.640 2.971 2.862 3.054 . 0 0 "[ . 1 . 2]" 1
105 1 13 THR H 1 13 THR MG . . 3.680 2.055 1.974 2.151 . 0 0 "[ . 1 . 2]" 1
106 1 13 THR H 1 51 ALA HA . . 4.130 4.197 4.129 4.267 0.137 13 0 "[ . 1 . 2]" 1
107 1 13 THR HA 1 13 THR HB . . 3.110 2.473 2.444 2.516 . 0 0 "[ . 1 . 2]" 1
108 1 13 THR HA 1 14 GLN H . . 2.990 2.643 2.573 2.685 . 0 0 "[ . 1 . 2]" 1
109 1 13 THR HB 1 14 GLN H . . 3.720 3.673 3.591 3.733 0.013 12 0 "[ . 1 . 2]" 1
110 1 13 THR MG 1 14 GLN H . . 3.640 3.094 2.930 3.303 . 0 0 "[ . 1 . 2]" 1
111 1 13 THR MG 1 15 LYS H . . 4.120 2.590 2.153 3.065 . 0 0 "[ . 1 . 2]" 1
112 1 13 THR MG 1 16 PRO HD2 . . 4.940 3.682 3.535 3.818 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLN H 1 14 GLN HB3 . . 3.610 3.068 2.507 3.645 0.035 12 0 "[ . 1 . 2]" 1
114 1 14 GLN H 1 14 GLN HG2 . . 4.620 3.621 2.129 4.540 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLN H 1 14 GLN HG3 . . 4.360 3.400 1.872 4.402 0.042 15 0 "[ . 1 . 2]" 1
116 1 14 GLN H 1 15 LYS H . . 3.260 3.046 2.821 3.319 0.059 17 0 "[ . 1 . 2]" 1
117 1 14 GLN HA 1 14 GLN HG2 . . 4.430 2.986 2.500 3.776 . 0 0 "[ . 1 . 2]" 1
118 1 14 GLN HA 1 14 GLN HG3 . . 4.440 2.959 2.477 3.793 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLN HA 1 15 LYS H . . 4.930 3.568 3.518 3.642 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLN HB2 1 14 GLN HG3 . . 3.120 2.440 2.406 2.490 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLN HB2 1 15 LYS H . . 4.870 3.107 2.178 3.825 . 0 0 "[ . 1 . 2]" 1
122 1 14 GLN HB3 1 15 LYS H . . 4.570 2.941 2.080 3.959 . 0 0 "[ . 1 . 2]" 1
123 1 15 LYS H 1 15 LYS HB2 . . 4.370 3.274 2.528 3.462 . 0 0 "[ . 1 . 2]" 1
124 1 15 LYS H 1 15 LYS HB3 . . 3.320 2.995 2.826 3.614 0.294 17 0 "[ . 1 . 2]" 1
125 1 15 LYS H 1 15 LYS QG . . 4.070 4.048 3.075 4.204 0.134 6 0 "[ . 1 . 2]" 1
126 1 15 LYS HA 1 57 TRP HZ2 . . 4.420 2.900 2.574 3.227 . 0 0 "[ . 1 . 2]" 1
127 1 15 LYS HB2 1 15 LYS QE . . 4.050 2.868 1.975 4.052 0.002 5 0 "[ . 1 . 2]" 1
128 1 15 LYS HB3 1 15 LYS QE . . 4.180 2.761 1.988 4.177 . 0 0 "[ . 1 . 2]" 1
129 1 15 LYS QG 1 52 PRO HD2 . . 5.280 4.705 4.516 4.978 . 0 0 "[ . 1 . 2]" 1
130 1 15 LYS QG 1 52 PRO HD3 . . 5.030 5.116 5.063 5.163 0.133 16 0 "[ . 1 . 2]" 1
131 1 16 PRO HA 1 16 PRO HD2 . . 4.600 4.016 3.967 4.109 . 0 0 "[ . 1 . 2]" 1
132 1 16 PRO HD2 1 51 ALA HA . . 3.660 3.613 3.293 3.719 0.059 1 0 "[ . 1 . 2]" 1
133 1 16 PRO HD2 1 51 ALA MB . . 3.930 3.339 3.085 3.538 . 0 0 "[ . 1 . 2]" 1
134 1 16 PRO HD2 1 57 TRP HZ2 . . 4.150 1.846 1.774 1.939 . 0 0 "[ . 1 . 2]" 1
135 1 16 PRO HD2 1 58 VAL MG2 . . 5.010 4.286 3.993 4.540 . 0 0 "[ . 1 . 2]" 1
136 1 16 PRO HD3 1 51 ALA HA . . 3.860 3.447 3.329 3.584 . 0 0 "[ . 1 . 2]" 1
137 1 16 PRO HD3 1 51 ALA MB . . 3.800 3.966 3.903 4.041 0.241 5 0 "[ . 1 . 2]" 1
138 1 16 PRO HD3 1 57 TRP HZ2 . . 4.370 3.502 3.408 3.592 . 0 0 "[ . 1 . 2]" 1
139 1 16 PRO HG2 1 57 TRP HE1 . . 5.040 5.011 4.712 5.089 0.049 20 0 "[ . 1 . 2]" 1
140 1 16 PRO HG2 1 58 VAL MG2 . . 4.920 4.041 3.801 4.195 . 0 0 "[ . 1 . 2]" 1
141 1 16 PRO HG3 1 52 PRO HD2 . . 5.500 3.338 2.864 3.705 . 0 0 "[ . 1 . 2]" 1
142 1 16 PRO HG3 1 58 VAL MG2 . . 4.600 4.708 4.664 4.758 0.158 15 0 "[ . 1 . 2]" 1
143 1 17 ILE HA 1 17 ILE MD . . 4.430 3.628 3.588 3.651 . 0 0 "[ . 1 . 2]" 1
144 1 17 ILE HA 1 17 ILE HG13 . . 4.380 4.335 4.312 4.346 . 0 0 "[ . 1 . 2]" 1
145 1 17 ILE HA 1 18 PRO HD2 . . 3.370 2.767 2.221 3.177 . 0 0 "[ . 1 . 2]" 1
146 1 17 ILE HA 1 18 PRO HD3 . . 3.720 2.277 1.967 2.672 . 0 0 "[ . 1 . 2]" 1
147 1 17 ILE HB 1 17 ILE MD . . 3.300 3.285 3.275 3.293 . 0 0 "[ . 1 . 2]" 1
148 1 17 ILE HB 1 18 PRO HD2 . . 4.230 2.034 1.925 2.235 . 0 0 "[ . 1 . 2]" 1
149 1 17 ILE HB 1 18 PRO HD3 . . 3.960 3.091 2.618 3.754 . 0 0 "[ . 1 . 2]" 1
150 1 17 ILE HB 1 21 ILE MD . . 4.280 2.057 1.945 2.454 . 0 0 "[ . 1 . 2]" 1
151 1 17 ILE MD 1 17 ILE MG . . 2.770 2.160 2.069 2.238 . 0 0 "[ . 1 . 2]" 1
152 1 17 ILE MD 1 41 PHE HB3 . . 4.330 3.015 2.693 3.659 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE MD 1 41 PHE QD . . 4.350 2.002 1.840 2.223 . 0 0 "[ . 1 . 2]" 1
154 1 17 ILE MD 1 43 THR MG . . 3.700 3.285 3.013 3.564 . 0 0 "[ . 1 . 2]" 1
155 1 17 ILE MD 1 49 LEU QB . . 4.170 2.365 1.996 2.873 . 0 0 "[ . 1 . 2]" 1
156 1 17 ILE MD 1 57 TRP HH2 . . 3.740 2.890 2.528 3.015 . 0 0 "[ . 1 . 2]" 1
157 1 17 ILE MD 1 57 TRP HZ2 . . 4.500 4.503 4.008 4.592 0.092 11 0 "[ . 1 . 2]" 1
158 1 17 ILE MD 1 57 TRP HZ3 . . 4.380 4.231 3.824 4.427 0.047 7 0 "[ . 1 . 2]" 1
159 1 17 ILE HG12 1 57 TRP HH2 . . 5.280 4.271 3.929 4.387 . 0 0 "[ . 1 . 2]" 1
160 1 17 ILE HG12 1 57 TRP HZ3 . . 4.950 4.562 4.222 4.929 . 0 0 "[ . 1 . 2]" 1
161 1 17 ILE HG13 1 18 PRO HD2 . . 5.270 4.288 3.954 4.667 . 0 0 "[ . 1 . 2]" 1
162 1 17 ILE HG13 1 21 ILE MD . . 3.350 2.969 2.303 3.353 0.003 7 0 "[ . 1 . 2]" 1
163 1 17 ILE HG13 1 43 THR MG . . 3.380 2.382 2.032 2.832 . 0 0 "[ . 1 . 2]" 1
164 1 17 ILE MG 1 18 PRO HD2 . . 4.200 3.338 3.018 3.709 . 0 0 "[ . 1 . 2]" 1
165 1 17 ILE MG 1 18 PRO HD3 . . 4.230 3.739 3.431 4.218 . 0 0 "[ . 1 . 2]" 1
166 1 18 PRO HA 1 19 GLY H . . 3.170 2.164 2.134 2.224 . 0 0 "[ . 1 . 2]" 1
167 1 18 PRO HA 1 20 TYR H . . 5.320 3.742 3.517 3.883 . 0 0 "[ . 1 . 2]" 1
168 1 18 PRO HB2 1 19 GLY H . . 4.470 3.660 3.174 3.951 . 0 0 "[ . 1 . 2]" 1
169 1 18 PRO HB2 1 21 ILE MD . . 4.420 3.608 2.770 4.384 . 0 0 "[ . 1 . 2]" 1
170 1 18 PRO HB3 1 19 GLY H . . 4.730 3.640 3.329 3.951 . 0 0 "[ . 1 . 2]" 1
171 1 18 PRO HB3 1 20 TYR H . . 4.590 3.660 3.236 4.138 . 0 0 "[ . 1 . 2]" 1
172 1 18 PRO HB3 1 21 ILE MD . . 5.200 4.685 4.144 5.159 . 0 0 "[ . 1 . 2]" 1
173 1 18 PRO HB3 1 21 ILE MG . . 4.760 3.992 3.239 4.766 0.006 3 0 "[ . 1 . 2]" 1
174 1 18 PRO HD2 1 21 ILE MD . . 5.270 2.264 2.022 2.776 . 0 0 "[ . 1 . 2]" 1
175 1 18 PRO HD3 1 21 ILE MD . . 4.440 3.659 3.260 4.151 . 0 0 "[ . 1 . 2]" 1
176 1 18 PRO HD3 1 21 ILE HG12 . . 5.080 4.754 4.215 5.102 0.022 20 0 "[ . 1 . 2]" 1
177 1 18 PRO HD3 1 21 ILE MG . . 5.490 4.863 4.576 5.173 . 0 0 "[ . 1 . 2]" 1
178 1 18 PRO QG 1 21 ILE HB . . 5.500 5.109 4.311 5.526 0.026 5 0 "[ . 1 . 2]" 1
179 1 18 PRO QG 1 21 ILE MD . . 4.260 2.723 2.130 3.177 . 0 0 "[ . 1 . 2]" 1
180 1 18 PRO QG 1 21 ILE MG . . 4.250 2.857 2.309 3.236 . 0 0 "[ . 1 . 2]" 1
181 1 19 GLY H 1 20 TYR H . . 3.980 2.662 2.512 2.788 . 0 0 "[ . 1 . 2]" 1
182 1 19 GLY H 1 22 VAL MG1 . . 4.850 4.679 4.367 4.909 0.059 6 0 "[ . 1 . 2]" 1
183 1 19 GLY H 1 61 ILE MD . . 4.380 2.943 2.332 3.457 . 0 0 "[ . 1 . 2]" 1
184 1 19 GLY HA2 1 20 TYR H . . 4.020 3.246 3.182 3.306 . 0 0 "[ . 1 . 2]" 1
185 1 19 GLY HA2 1 61 ILE MD . . 4.080 2.461 2.303 2.577 . 0 0 "[ . 1 . 2]" 1
186 1 19 GLY HA2 1 61 ILE HG13 . . 4.850 4.822 4.695 4.947 0.097 6 0 "[ . 1 . 2]" 1
187 1 19 GLY HA2 1 61 ILE MG . . 5.320 3.460 3.349 3.526 . 0 0 "[ . 1 . 2]" 1
188 1 19 GLY HA3 1 20 TYR H . . 4.460 3.239 3.163 3.295 . 0 0 "[ . 1 . 2]" 1
189 1 19 GLY HA3 1 22 VAL MG1 . . 4.730 3.324 2.930 3.625 . 0 0 "[ . 1 . 2]" 1
190 1 19 GLY HA3 1 61 ILE MD . . 3.880 1.825 1.741 2.082 . 0 0 "[ . 1 . 2]" 1
191 1 19 GLY HA3 1 61 ILE HG12 . . 5.440 3.956 3.848 4.047 . 0 0 "[ . 1 . 2]" 1
192 1 19 GLY HA3 1 61 ILE HG13 . . 4.890 3.930 3.544 4.251 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLY HA3 1 61 ILE MG . . 4.780 1.909 1.844 2.066 . 0 0 "[ . 1 . 2]" 1
194 1 20 TYR H 1 20 TYR HB2 . . 3.950 2.549 2.388 2.809 . 0 0 "[ . 1 . 2]" 1
195 1 20 TYR H 1 20 TYR HB3 . . 3.560 3.205 2.195 3.647 0.087 4 0 "[ . 1 . 2]" 1
196 1 20 TYR H 1 20 TYR QD . . 3.900 3.113 2.523 4.026 0.126 12 0 "[ . 1 . 2]" 1
197 1 20 TYR H 1 21 ILE H . . 3.820 2.414 2.342 2.508 . 0 0 "[ . 1 . 2]" 1
198 1 20 TYR H 1 61 ILE HB . . 5.230 5.267 4.872 5.362 0.132 4 0 "[ . 1 . 2]" 1
199 1 20 TYR H 1 61 ILE MD . . 5.130 4.414 4.249 4.535 . 0 0 "[ . 1 . 2]" 1
200 1 20 TYR H 1 61 ILE MG . . 5.480 3.717 3.449 3.884 . 0 0 "[ . 1 . 2]" 1
201 1 20 TYR HA 1 20 TYR QD . . 3.810 2.797 2.307 3.074 . 0 0 "[ . 1 . 2]" 1
202 1 20 TYR HA 1 21 ILE H . . 4.420 3.371 3.249 3.522 . 0 0 "[ . 1 . 2]" 1
203 1 20 TYR HA 1 22 VAL H . . 4.320 3.559 3.287 3.879 . 0 0 "[ . 1 . 2]" 1
204 1 20 TYR HB2 1 20 TYR QD . . 3.360 2.383 2.288 2.552 . 0 0 "[ . 1 . 2]" 1
205 1 20 TYR HB2 1 20 TYR QE . . 4.390 4.404 4.377 4.441 0.051 1 0 "[ . 1 . 2]" 1
206 1 20 TYR HB3 1 20 TYR QD . . 3.260 2.392 2.265 2.681 . 0 0 "[ . 1 . 2]" 1
207 1 20 TYR HB3 1 20 TYR QE . . 5.020 4.411 4.356 4.504 . 0 0 "[ . 1 . 2]" 1
208 1 20 TYR HB3 1 61 ILE MG . . 5.010 5.090 5.005 5.170 0.160 11 0 "[ . 1 . 2]" 1
209 1 21 ILE H 1 21 ILE HG12 . . 4.230 2.198 2.111 2.301 . 0 0 "[ . 1 . 2]" 1
210 1 21 ILE H 1 21 ILE HG13 . . 4.690 3.138 3.062 3.226 . 0 0 "[ . 1 . 2]" 1
211 1 21 ILE H 1 21 ILE MG . . 4.400 2.578 2.454 2.664 . 0 0 "[ . 1 . 2]" 1
212 1 21 ILE H 1 22 VAL H . . 3.790 2.368 2.171 2.524 . 0 0 "[ . 1 . 2]" 1
213 1 21 ILE HA 1 21 ILE MD . . 4.370 4.209 4.194 4.224 . 0 0 "[ . 1 . 2]" 1
214 1 21 ILE HA 1 21 ILE HG13 . . 4.000 3.714 3.688 3.734 . 0 0 "[ . 1 . 2]" 1
215 1 21 ILE HA 1 21 ILE MG . . 3.600 2.386 2.353 2.433 . 0 0 "[ . 1 . 2]" 1
216 1 21 ILE HA 1 22 VAL H . . 4.450 3.116 3.038 3.181 . 0 0 "[ . 1 . 2]" 1
217 1 21 ILE HA 1 44 LEU H . . 4.670 4.474 4.166 4.705 0.035 18 0 "[ . 1 . 2]" 1
218 1 21 ILE HA 1 44 LEU MD1 . . 4.310 2.939 2.661 3.408 . 0 0 "[ . 1 . 2]" 1
219 1 21 ILE HB 1 21 ILE MD . . 3.670 2.429 2.409 2.449 . 0 0 "[ . 1 . 2]" 1
220 1 21 ILE HB 1 43 THR HB . . 5.220 3.872 3.500 4.148 . 0 0 "[ . 1 . 2]" 1
221 1 21 ILE HB 1 44 LEU H . . 4.570 3.437 3.178 3.778 . 0 0 "[ . 1 . 2]" 1
222 1 21 ILE MD 1 21 ILE MG . . 3.070 1.945 1.928 1.965 . 0 0 "[ . 1 . 2]" 1
223 1 21 ILE MD 1 43 THR HA . . 5.300 4.469 4.241 4.790 . 0 0 "[ . 1 . 2]" 1
224 1 21 ILE MD 1 43 THR HB . . 5.260 3.234 2.952 3.556 . 0 0 "[ . 1 . 2]" 1
225 1 21 ILE MD 1 43 THR MG . . 4.580 2.708 2.490 2.978 . 0 0 "[ . 1 . 2]" 1
226 1 21 ILE HG12 1 22 VAL H . . 4.850 3.764 3.571 3.933 . 0 0 "[ . 1 . 2]" 1
227 1 21 ILE HG13 1 22 VAL H . . 4.800 3.567 3.365 3.705 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE MG 1 22 VAL H . . 4.780 4.209 4.138 4.293 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE MG 1 43 THR HB . . 5.310 5.105 4.799 5.330 0.020 3 0 "[ . 1 . 2]" 1
230 1 22 VAL H 1 22 VAL HB . . 3.520 3.006 2.918 3.092 . 0 0 "[ . 1 . 2]" 1
231 1 22 VAL H 1 22 VAL MG1 . . 3.580 1.956 1.888 2.056 . 0 0 "[ . 1 . 2]" 1
232 1 22 VAL H 1 22 VAL MG2 . . 4.180 3.781 3.740 3.827 . 0 0 "[ . 1 . 2]" 1
233 1 22 VAL H 1 23 ARG H . . 5.260 4.482 4.430 4.524 . 0 0 "[ . 1 . 2]" 1
234 1 22 VAL HA 1 22 VAL MG2 . . 3.700 2.443 2.389 2.495 . 0 0 "[ . 1 . 2]" 1
235 1 22 VAL HA 1 23 ARG H . . 3.130 2.069 1.998 2.123 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL HA 1 24 ASN H . . 4.410 4.187 4.015 4.322 . 0 0 "[ . 1 . 2]" 1
237 1 22 VAL HA 1 42 THR H . . 4.770 4.782 4.689 4.821 0.051 5 0 "[ . 1 . 2]" 1
238 1 22 VAL HA 1 43 THR HA . . 3.610 1.949 1.816 2.093 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL HA 1 43 THR MG . . 4.700 3.337 3.172 3.515 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL HA 1 44 LEU H . . 4.750 3.585 3.414 3.820 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL HA 1 65 LEU MD1 . . 4.330 4.444 4.422 4.468 0.138 12 0 "[ . 1 . 2]" 1
242 1 22 VAL HB 1 23 ARG H . . 5.010 3.886 3.813 3.925 . 0 0 "[ . 1 . 2]" 1
243 1 22 VAL MG1 1 22 VAL MG2 . . 3.010 2.051 2.017 2.062 . 0 0 "[ . 1 . 2]" 1
244 1 22 VAL MG1 1 23 ARG H . . 4.560 3.974 3.879 4.051 . 0 0 "[ . 1 . 2]" 1
245 1 22 VAL MG1 1 24 ASN H . . 4.900 4.753 4.533 4.941 0.041 8 0 "[ . 1 . 2]" 1
246 1 22 VAL MG1 1 41 PHE HA . . 5.280 4.235 4.004 4.519 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL MG1 1 41 PHE HB2 . . 4.500 4.507 4.344 4.547 0.047 20 0 "[ . 1 . 2]" 1
248 1 22 VAL MG1 1 41 PHE HB3 . . 4.820 3.318 3.117 3.434 . 0 0 "[ . 1 . 2]" 1
249 1 22 VAL MG1 1 41 PHE QD . . 3.940 2.957 2.618 3.157 . 0 0 "[ . 1 . 2]" 1
250 1 22 VAL MG1 1 41 PHE QE . . 4.070 3.318 3.178 3.451 . 0 0 "[ . 1 . 2]" 1
251 1 22 VAL MG1 1 43 THR HA . . 5.110 4.586 4.512 4.709 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL MG1 1 43 THR MG . . 4.380 4.414 4.201 4.465 0.085 1 0 "[ . 1 . 2]" 1
253 1 22 VAL MG2 1 23 ARG H . . 3.780 2.356 2.236 2.460 . 0 0 "[ . 1 . 2]" 1
254 1 22 VAL MG2 1 24 ASN H . . 3.330 2.601 2.389 2.762 . 0 0 "[ . 1 . 2]" 1
255 1 22 VAL MG2 1 25 PHE H . . 4.660 4.226 3.778 4.523 . 0 0 "[ . 1 . 2]" 1
256 1 22 VAL MG2 1 25 PHE HA . . 5.370 3.490 3.044 3.765 . 0 0 "[ . 1 . 2]" 1
257 1 22 VAL MG2 1 25 PHE HB2 . . 4.380 3.981 3.747 4.197 . 0 0 "[ . 1 . 2]" 1
258 1 22 VAL MG2 1 25 PHE HB3 . . 4.760 2.816 2.561 3.042 . 0 0 "[ . 1 . 2]" 1
259 1 22 VAL MG2 1 41 PHE HA . . 4.580 2.409 2.255 2.629 . 0 0 "[ . 1 . 2]" 1
260 1 22 VAL MG2 1 41 PHE HB2 . . 4.060 3.672 3.513 3.853 . 0 0 "[ . 1 . 2]" 1
261 1 22 VAL MG2 1 41 PHE HB3 . . 4.430 2.368 2.132 2.636 . 0 0 "[ . 1 . 2]" 1
262 1 22 VAL MG2 1 41 PHE QD . . 3.270 1.879 1.794 1.931 . 0 0 "[ . 1 . 2]" 1
263 1 22 VAL MG2 1 41 PHE QE . . 5.110 3.568 3.263 3.748 . 0 0 "[ . 1 . 2]" 1
264 1 22 VAL MG2 1 42 THR H . . 4.570 2.285 2.104 2.370 . 0 0 "[ . 1 . 2]" 1
265 1 22 VAL MG2 1 42 THR HB . . 5.270 3.228 3.029 3.405 . 0 0 "[ . 1 . 2]" 1
266 1 23 ARG H 1 23 ARG HB3 . . 3.600 2.748 2.499 3.382 . 0 0 "[ . 1 . 2]" 1
267 1 23 ARG H 1 23 ARG HG2 . . 5.080 4.325 3.316 4.506 . 0 0 "[ . 1 . 2]" 1
268 1 23 ARG H 1 23 ARG HG3 . . 5.300 4.569 4.120 4.716 . 0 0 "[ . 1 . 2]" 1
269 1 23 ARG H 1 24 ASN H . . 3.210 2.352 2.172 2.479 . 0 0 "[ . 1 . 2]" 1
270 1 23 ARG H 1 42 THR H . . 4.650 4.244 4.086 4.457 . 0 0 "[ . 1 . 2]" 1
271 1 23 ARG H 1 43 THR HA . . 3.600 3.013 2.694 3.256 . 0 0 "[ . 1 . 2]" 1
272 1 23 ARG H 1 43 THR MG . . 4.780 4.656 4.459 4.788 0.008 8 0 "[ . 1 . 2]" 1
273 1 23 ARG H 1 44 LEU H . . 4.970 4.323 3.973 4.697 . 0 0 "[ . 1 . 2]" 1
274 1 23 ARG H 1 44 LEU MD2 . . 4.880 3.705 3.446 4.075 . 0 0 "[ . 1 . 2]" 1
275 1 23 ARG H 1 65 LEU MD1 . . 4.320 4.215 4.044 4.335 0.015 10 0 "[ . 1 . 2]" 1
276 1 23 ARG HA 1 23 ARG HD2 . . 5.040 3.879 3.504 4.374 . 0 0 "[ . 1 . 2]" 1
277 1 23 ARG HA 1 23 ARG HD3 . . 5.500 2.922 2.465 4.663 . 0 0 "[ . 1 . 2]" 1
278 1 23 ARG HA 1 23 ARG HG3 . . 4.440 3.654 2.571 3.761 . 0 0 "[ . 1 . 2]" 1
279 1 23 ARG HA 1 24 ASN H . . 4.300 3.574 3.551 3.600 . 0 0 "[ . 1 . 2]" 1
280 1 23 ARG HA 1 44 LEU MD2 . . 4.250 3.232 2.669 3.854 . 0 0 "[ . 1 . 2]" 1
281 1 23 ARG HA 1 65 LEU MD1 . . 4.580 4.345 3.674 4.636 0.056 2 0 "[ . 1 . 2]" 1
282 1 23 ARG HB2 1 23 ARG HG2 . . 3.100 2.554 2.398 3.026 . 0 0 "[ . 1 . 2]" 1
283 1 23 ARG HB2 1 23 ARG HG3 . . 3.030 2.402 2.320 2.515 . 0 0 "[ . 1 . 2]" 1
284 1 23 ARG HB2 1 42 THR HB . . 4.810 4.463 3.999 4.768 . 0 0 "[ . 1 . 2]" 1
285 1 23 ARG HB2 1 42 THR MG . . 3.330 3.391 2.986 3.458 0.128 7 0 "[ . 1 . 2]" 1
286 1 23 ARG HB2 1 44 LEU HA . . 3.440 2.984 2.339 3.486 0.046 1 0 "[ . 1 . 2]" 1
287 1 23 ARG HB2 1 44 LEU MD2 . . 3.470 2.616 2.321 3.506 0.036 1 0 "[ . 1 . 2]" 1
288 1 23 ARG HB3 1 23 ARG HD2 . . 3.550 2.698 2.425 3.637 0.087 1 0 "[ . 1 . 2]" 1
289 1 23 ARG HB3 1 23 ARG HD3 . . 3.880 2.926 2.407 3.246 . 0 0 "[ . 1 . 2]" 1
290 1 23 ARG HB3 1 24 ASN H . . 3.780 2.244 2.004 3.076 . 0 0 "[ . 1 . 2]" 1
291 1 23 ARG HB3 1 42 THR MG . . 3.530 3.011 2.740 3.624 0.094 1 0 "[ . 1 . 2]" 1
292 1 23 ARG HB3 1 44 LEU HA . . 4.840 4.539 4.002 4.835 . 0 0 "[ . 1 . 2]" 1
293 1 23 ARG HB3 1 44 LEU MD2 . . 4.490 4.061 3.756 4.434 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG HG2 1 24 ASN H . . 5.350 4.769 3.666 4.951 . 0 0 "[ . 1 . 2]" 1
295 1 23 ARG HG2 1 44 LEU HA . . 5.170 4.189 2.615 5.119 . 0 0 "[ . 1 . 2]" 1
296 1 23 ARG HG3 1 24 ASN H . . 5.500 4.663 4.506 5.028 . 0 0 "[ . 1 . 2]" 1
297 1 23 ARG HG3 1 44 LEU HA . . 5.320 3.944 2.808 4.595 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASN H 1 24 ASN HB2 . . 4.220 2.930 2.655 3.911 . 0 0 "[ . 1 . 2]" 1
299 1 24 ASN H 1 24 ASN HB3 . . 4.280 3.674 2.801 3.894 . 0 0 "[ . 1 . 2]" 1
300 1 24 ASN H 1 42 THR H . . 3.710 3.501 3.342 3.721 0.011 18 0 "[ . 1 . 2]" 1
301 1 24 ASN H 1 42 THR HB . . 3.860 2.278 1.968 2.600 . 0 0 "[ . 1 . 2]" 1
302 1 24 ASN H 1 65 LEU MD1 . . 4.220 3.841 3.529 4.082 . 0 0 "[ . 1 . 2]" 1
303 1 24 ASN HA 1 25 PHE H . . 3.470 2.427 2.232 2.591 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASN HA 1 65 LEU MD1 . . 4.620 2.729 2.193 3.419 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASN HB2 1 25 PHE H . . 3.890 3.616 2.547 3.917 0.027 1 0 "[ . 1 . 2]" 1
306 1 24 ASN HB2 1 42 THR HB . . 4.440 3.166 2.170 4.376 . 0 0 "[ . 1 . 2]" 1
307 1 24 ASN HB2 1 42 THR MG . . 4.640 3.609 2.686 4.763 0.123 12 0 "[ . 1 . 2]" 1
308 1 24 ASN HB3 1 25 PHE H . . 4.020 2.671 2.096 3.864 . 0 0 "[ . 1 . 2]" 1
309 1 24 ASN HB3 1 42 THR HB . . 4.600 3.986 2.473 4.453 . 0 0 "[ . 1 . 2]" 1
310 1 24 ASN HB3 1 42 THR MG . . 5.100 4.541 2.882 5.108 0.008 6 0 "[ . 1 . 2]" 1
311 1 25 PHE H 1 25 PHE QE . . 4.100 4.108 4.005 4.145 0.045 4 0 "[ . 1 . 2]" 1
312 1 25 PHE HA 1 26 HIS H . . 3.180 2.321 2.200 2.390 . 0 0 "[ . 1 . 2]" 1
313 1 25 PHE HA 1 39 VAL MG2 . . 5.290 3.863 3.712 4.046 . 0 0 "[ . 1 . 2]" 1
314 1 25 PHE HA 1 41 PHE HA . . 3.910 2.789 2.608 3.030 . 0 0 "[ . 1 . 2]" 1
315 1 25 PHE HA 1 41 PHE QD . . 4.540 3.409 3.157 3.823 . 0 0 "[ . 1 . 2]" 1
316 1 25 PHE HA 1 42 THR H . . 4.500 2.700 2.551 2.900 . 0 0 "[ . 1 . 2]" 1
317 1 25 PHE HB2 1 26 HIS H . . 4.190 2.572 2.332 2.897 . 0 0 "[ . 1 . 2]" 1
318 1 25 PHE HB2 1 39 VAL MG2 . . 4.590 2.181 2.100 2.338 . 0 0 "[ . 1 . 2]" 1
319 1 25 PHE HB2 1 41 PHE HA . . 5.460 3.389 3.296 3.489 . 0 0 "[ . 1 . 2]" 1
320 1 25 PHE HB2 1 41 PHE QD . . 3.430 2.840 2.641 3.185 . 0 0 "[ . 1 . 2]" 1
321 1 25 PHE HB2 1 41 PHE QE . . 4.010 3.349 3.051 3.899 . 0 0 "[ . 1 . 2]" 1
322 1 25 PHE HB2 1 42 THR H . . 4.450 4.499 4.401 4.549 0.099 8 0 "[ . 1 . 2]" 1
323 1 25 PHE HB3 1 26 HIS H . . 4.400 3.881 3.734 4.066 . 0 0 "[ . 1 . 2]" 1
324 1 25 PHE HB3 1 39 VAL MG1 . . 4.910 4.967 4.923 5.008 0.098 3 0 "[ . 1 . 2]" 1
325 1 25 PHE HB3 1 39 VAL MG2 . . 4.190 3.402 3.248 3.539 . 0 0 "[ . 1 . 2]" 1
326 1 25 PHE HB3 1 41 PHE HA . . 5.180 3.193 3.002 3.346 . 0 0 "[ . 1 . 2]" 1
327 1 25 PHE HB3 1 41 PHE QD . . 4.030 2.118 1.963 2.343 . 0 0 "[ . 1 . 2]" 1
328 1 25 PHE HB3 1 41 PHE QE . . 4.510 2.866 2.556 3.278 . 0 0 "[ . 1 . 2]" 1
329 1 25 PHE QD 1 39 VAL MG1 . . 4.360 4.319 4.181 4.400 0.040 16 0 "[ . 1 . 2]" 1
330 1 25 PHE QD 1 39 VAL MG2 . . 4.450 2.066 1.914 2.353 . 0 0 "[ . 1 . 2]" 1
331 1 25 PHE QD 1 62 ILE MG . . 4.340 3.563 3.349 3.796 . 0 0 "[ . 1 . 2]" 1
332 1 25 PHE QD 1 65 LEU HB2 . . 4.340 2.902 2.333 4.262 . 0 0 "[ . 1 . 2]" 1
333 1 25 PHE QD 1 65 LEU HB3 . . 5.500 2.690 2.333 3.436 . 0 0 "[ . 1 . 2]" 1
334 1 25 PHE QD 1 65 LEU MD1 . . 4.010 2.064 1.901 2.781 . 0 0 "[ . 1 . 2]" 1
335 1 25 PHE QE 1 39 VAL MG2 . . 4.030 3.616 3.437 3.976 . 0 0 "[ . 1 . 2]" 1
336 1 25 PHE QE 1 62 ILE MD . . 3.960 3.648 2.894 3.972 0.012 17 0 "[ . 1 . 2]" 1
337 1 25 PHE QE 1 62 ILE MG . . 5.500 2.594 2.353 2.765 . 0 0 "[ . 1 . 2]" 1
338 1 25 PHE QE 1 65 LEU HB2 . . 4.450 2.570 2.185 4.464 0.014 3 0 "[ . 1 . 2]" 1
339 1 25 PHE QE 1 65 LEU HB3 . . 4.260 2.673 1.982 3.122 . 0 0 "[ . 1 . 2]" 1
340 1 25 PHE QE 1 65 LEU MD1 . . 3.570 3.488 3.259 3.649 0.079 11 0 "[ . 1 . 2]" 1
341 1 25 PHE QE 1 66 GLN HA . . 4.520 3.273 2.597 4.032 . 0 0 "[ . 1 . 2]" 1
342 1 25 PHE QE 1 66 GLN HG3 . . 3.620 3.104 2.603 3.628 0.008 11 0 "[ . 1 . 2]" 1
343 1 25 PHE HZ 1 62 ILE MG . . 4.490 2.665 2.349 3.121 . 0 0 "[ . 1 . 2]" 1
344 1 25 PHE HZ 1 66 GLN HB2 . . 4.660 4.657 4.575 4.708 0.048 11 0 "[ . 1 . 2]" 1
345 1 25 PHE HZ 1 66 GLN HG3 . . 4.500 2.511 2.293 2.765 . 0 0 "[ . 1 . 2]" 1
346 1 26 HIS H 1 39 VAL HA . . 5.110 4.449 4.204 4.630 . 0 0 "[ . 1 . 2]" 1
347 1 26 HIS H 1 39 VAL MG2 . . 4.180 2.948 2.669 3.121 . 0 0 "[ . 1 . 2]" 1
348 1 26 HIS H 1 40 VAL H . . 3.740 2.967 2.789 3.089 . 0 0 "[ . 1 . 2]" 1
349 1 26 HIS H 1 40 VAL HB . . 5.170 4.714 4.586 4.866 . 0 0 "[ . 1 . 2]" 1
350 1 26 HIS H 1 40 VAL MG1 . . 4.390 4.266 3.762 4.451 0.061 18 0 "[ . 1 . 2]" 1
351 1 26 HIS HA 1 26 HIS HD2 . . 4.490 2.735 2.480 3.776 . 0 0 "[ . 1 . 2]" 1
352 1 26 HIS HA 1 27 TYR H . . 3.290 2.137 2.056 2.240 . 0 0 "[ . 1 . 2]" 1
353 1 26 HIS HB2 1 27 TYR H . . 4.520 4.223 4.030 4.352 . 0 0 "[ . 1 . 2]" 1
354 1 26 HIS HB3 1 27 TYR H . . 4.720 3.348 2.956 3.568 . 0 0 "[ . 1 . 2]" 1
355 1 26 HIS HB3 1 40 VAL MG2 . . 5.190 3.369 3.246 3.491 . 0 0 "[ . 1 . 2]" 1
356 1 26 HIS HE1 1 40 VAL MG2 . . 4.500 4.384 3.716 4.590 0.090 1 0 "[ . 1 . 2]" 1
357 1 27 TYR H 1 27 TYR QB . . 3.320 2.257 2.189 2.385 . 0 0 "[ . 1 . 2]" 1
358 1 27 TYR H 1 27 TYR QD . . 4.040 3.948 3.081 4.108 0.068 4 0 "[ . 1 . 2]" 1
359 1 27 TYR HA 1 27 TYR QD . . 3.690 2.296 2.164 2.509 . 0 0 "[ . 1 . 2]" 1
360 1 27 TYR HA 1 27 TYR QE . . 4.120 4.228 4.187 4.296 0.176 16 0 "[ . 1 . 2]" 1
361 1 27 TYR HA 1 28 LEU H . . 3.080 2.180 2.137 2.338 . 0 0 "[ . 1 . 2]" 1
362 1 27 TYR HA 1 39 VAL HA . . 3.780 2.540 2.344 2.679 . 0 0 "[ . 1 . 2]" 1
363 1 27 TYR HA 1 39 VAL HB . . 5.240 2.923 2.678 3.165 . 0 0 "[ . 1 . 2]" 1
364 1 27 TYR HA 1 39 VAL MG2 . . 5.420 2.215 1.968 2.536 . 0 0 "[ . 1 . 2]" 1
365 1 27 TYR HA 1 40 VAL H . . 3.910 3.774 3.480 3.923 0.013 16 0 "[ . 1 . 2]" 1
366 1 27 TYR QB 1 27 TYR QD . . 3.110 2.131 2.109 2.153 . 0 0 "[ . 1 . 2]" 1
367 1 27 TYR QB 1 27 TYR QE . . 4.090 3.904 3.875 3.925 . 0 0 "[ . 1 . 2]" 1
368 1 27 TYR QB 1 28 LEU H . . 3.830 3.845 3.579 3.914 0.084 10 0 "[ . 1 . 2]" 1
369 1 27 TYR QD 1 28 LEU H . . 4.760 3.921 3.634 4.186 . 0 0 "[ . 1 . 2]" 1
370 1 27 TYR QD 1 39 VAL HA . . 4.260 3.624 3.219 4.043 . 0 0 "[ . 1 . 2]" 1
371 1 27 TYR QD 1 39 VAL HB . . 4.550 2.092 1.905 2.295 . 0 0 "[ . 1 . 2]" 1
372 1 27 TYR QD 1 39 VAL MG1 . . 3.540 3.434 3.238 3.630 0.090 8 0 "[ . 1 . 2]" 1
373 1 27 TYR QD 1 39 VAL MG2 . . 4.450 2.272 2.032 2.947 . 0 0 "[ . 1 . 2]" 1
374 1 27 TYR QD 1 53 PRO QB . . 4.530 3.638 2.409 4.122 . 0 0 "[ . 1 . 2]" 1
375 1 27 TYR QD 1 62 ILE MD . . 4.790 2.999 2.401 4.333 . 0 0 "[ . 1 . 2]" 1
376 1 27 TYR QD 1 62 ILE MG . . 4.970 4.052 3.609 4.977 0.007 16 0 "[ . 1 . 2]" 1
377 1 27 TYR QE 1 39 VAL MG1 . . 3.250 3.260 2.979 3.322 0.072 11 0 "[ . 1 . 2]" 1
378 1 27 TYR QE 1 39 VAL MG2 . . 4.390 3.503 2.798 3.854 . 0 0 "[ . 1 . 2]" 1
379 1 27 TYR QE 1 53 PRO HA . . 4.620 3.145 2.625 4.158 . 0 0 "[ . 1 . 2]" 1
380 1 27 TYR QE 1 53 PRO QB . . 3.900 2.400 2.039 3.114 . 0 0 "[ . 1 . 2]" 1
381 1 27 TYR QE 1 62 ILE MD . . 4.470 2.437 2.188 3.453 . 0 0 "[ . 1 . 2]" 1
382 1 27 TYR QE 1 62 ILE HG12 . . 4.690 4.638 4.319 4.736 0.046 5 0 "[ . 1 . 2]" 1
383 1 27 TYR QE 1 62 ILE MG . . 5.090 4.027 2.894 4.549 . 0 0 "[ . 1 . 2]" 1
384 1 28 LEU H 1 28 LEU HB2 . . 4.030 2.518 2.348 3.005 . 0 0 "[ . 1 . 2]" 1
385 1 28 LEU H 1 28 LEU HB3 . . 3.640 3.404 2.326 3.674 0.034 5 0 "[ . 1 . 2]" 1
386 1 28 LEU H 1 28 LEU MD1 . . 4.860 4.003 3.734 4.424 . 0 0 "[ . 1 . 2]" 1
387 1 28 LEU H 1 28 LEU MD2 . . 5.340 3.176 2.284 4.029 . 0 0 "[ . 1 . 2]" 1
388 1 28 LEU H 1 28 LEU HG . . 4.320 3.701 2.631 4.490 0.170 2 0 "[ . 1 . 2]" 1
389 1 28 LEU H 1 38 ALA H . . 4.370 3.614 3.305 3.923 . 0 0 "[ . 1 . 2]" 1
390 1 28 LEU H 1 38 ALA MB . . 5.410 4.730 4.488 4.969 . 0 0 "[ . 1 . 2]" 1
391 1 28 LEU H 1 39 VAL HA . . 4.100 2.439 2.226 2.576 . 0 0 "[ . 1 . 2]" 1
392 1 28 LEU HA 1 28 LEU MD1 . . 4.180 3.038 2.032 3.769 . 0 0 "[ . 1 . 2]" 1
393 1 28 LEU HA 1 28 LEU MD2 . . 3.520 2.554 1.976 3.380 . 0 0 "[ . 1 . 2]" 1
394 1 28 LEU HA 1 29 LEU H . . 3.360 2.115 1.985 2.245 . 0 0 "[ . 1 . 2]" 1
395 1 28 LEU HA 1 32 ASP HB2 . . 4.460 3.642 2.755 4.462 0.002 11 0 "[ . 1 . 2]" 1
396 1 28 LEU HB2 1 38 ALA H . . 5.480 3.376 2.568 4.943 . 0 0 "[ . 1 . 2]" 1
397 1 28 LEU HB2 1 40 VAL MG1 . . 4.830 3.540 2.946 4.334 . 0 0 "[ . 1 . 2]" 1
398 1 28 LEU HB3 1 28 LEU MD1 . . 3.370 2.344 2.201 2.528 . 0 0 "[ . 1 . 2]" 1
399 1 28 LEU HB3 1 29 LEU H . . 4.900 3.350 2.769 4.223 . 0 0 "[ . 1 . 2]" 1
400 1 28 LEU HB3 1 38 ALA H . . 4.320 3.729 3.088 4.346 0.026 8 0 "[ . 1 . 2]" 1
401 1 28 LEU HB3 1 40 VAL MG1 . . 4.580 4.378 3.261 4.720 0.140 14 0 "[ . 1 . 2]" 1
402 1 28 LEU MD1 1 29 LEU H . . 4.400 4.067 2.741 4.577 0.177 16 0 "[ . 1 . 2]" 1
403 1 28 LEU MD2 1 29 LEU H . . 5.020 3.829 2.798 4.858 . 0 0 "[ . 1 . 2]" 1
404 1 29 LEU H 1 29 LEU HB2 . . 4.340 2.673 2.516 2.848 . 0 0 "[ . 1 . 2]" 1
405 1 29 LEU H 1 29 LEU HG . . 4.370 3.084 2.672 3.402 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU HA 1 29 LEU MD1 . . 4.510 3.869 3.836 3.913 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU HA 1 29 LEU MD2 . . 3.460 2.100 2.045 2.207 . 0 0 "[ . 1 . 2]" 1
408 1 29 LEU HB2 1 29 LEU HG . . 2.410 2.413 2.395 2.432 0.022 8 0 "[ . 1 . 2]" 1
409 1 29 LEU HB2 1 30 ILE H . . 3.910 3.301 3.014 3.560 . 0 0 "[ . 1 . 2]" 1
410 1 29 LEU HB3 1 29 LEU MD1 . . 3.620 2.340 2.309 2.376 . 0 0 "[ . 1 . 2]" 1
411 1 29 LEU HB3 1 29 LEU MD2 . . 3.110 2.399 2.382 2.416 . 0 0 "[ . 1 . 2]" 1
412 1 29 LEU HB3 1 30 ILE H . . 4.250 2.147 1.990 2.313 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU HB3 1 31 LYS H . . 4.350 2.451 2.098 3.006 . 0 0 "[ . 1 . 2]" 1
414 1 29 LEU HB3 1 32 ASP H . . 5.500 3.762 2.659 4.345 . 0 0 "[ . 1 . 2]" 1
415 1 29 LEU MD1 1 29 LEU MD2 . . 2.400 2.084 2.060 2.099 . 0 0 "[ . 1 . 2]" 1
416 1 29 LEU MD1 1 30 ILE H . . 5.500 4.122 3.968 4.249 . 0 0 "[ . 1 . 2]" 1
417 1 29 LEU MD2 1 30 ILE H . . 3.680 3.474 3.298 3.685 0.005 16 0 "[ . 1 . 2]" 1
418 1 29 LEU MD2 1 37 PRO HA . . 4.340 3.372 2.975 3.976 . 0 0 "[ . 1 . 2]" 1
419 1 29 LEU MD2 1 37 PRO HB2 . . 4.100 2.516 2.287 2.878 . 0 0 "[ . 1 . 2]" 1
420 1 29 LEU MD2 1 37 PRO HB3 . . 4.070 2.866 2.621 3.230 . 0 0 "[ . 1 . 2]" 1
421 1 29 LEU MD2 1 38 ALA H . . 3.560 3.378 2.929 3.593 0.033 9 0 "[ . 1 . 2]" 1
422 1 29 LEU HG 1 30 ILE H . . 4.760 4.763 4.693 4.815 0.055 15 0 "[ . 1 . 2]" 1
423 1 29 LEU HG 1 32 ASP H . . 4.920 4.887 4.326 5.043 0.123 16 0 "[ . 1 . 2]" 1
424 1 30 ILE H 1 30 ILE HB . . 2.980 2.608 2.522 2.728 . 0 0 "[ . 1 . 2]" 1
425 1 30 ILE H 1 30 ILE MD . . 4.700 3.667 3.588 3.817 . 0 0 "[ . 1 . 2]" 1
426 1 30 ILE H 1 30 ILE HG12 . . 3.730 3.372 3.216 3.505 . 0 0 "[ . 1 . 2]" 1
427 1 30 ILE H 1 30 ILE HG13 . . 3.940 2.167 2.010 2.370 . 0 0 "[ . 1 . 2]" 1
428 1 30 ILE H 1 30 ILE MG . . 4.240 3.794 3.770 3.817 . 0 0 "[ . 1 . 2]" 1
429 1 30 ILE H 1 37 PRO HB2 . . 4.230 4.065 3.742 4.287 0.057 8 0 "[ . 1 . 2]" 1
430 1 30 ILE HA 1 30 ILE MD . . 3.960 3.869 3.822 3.897 . 0 0 "[ . 1 . 2]" 1
431 1 30 ILE HA 1 30 ILE HG13 . . 4.090 3.121 3.040 3.206 . 0 0 "[ . 1 . 2]" 1
432 1 30 ILE HA 1 30 ILE MG . . 3.450 2.343 2.148 2.476 . 0 0 "[ . 1 . 2]" 1
433 1 30 ILE HA 1 31 LYS H . . 3.610 3.410 3.326 3.471 . 0 0 "[ . 1 . 2]" 1
434 1 30 ILE HA 1 33 GLY H . . 3.830 2.995 2.745 3.488 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE HA 1 34 CYS H . . 3.800 2.809 1.962 3.838 0.038 8 0 "[ . 1 . 2]" 1
436 1 30 ILE HB 1 31 LYS H . . 3.360 2.953 2.602 3.160 . 0 0 "[ . 1 . 2]" 1
437 1 30 ILE MD 1 30 ILE MG . . 2.400 1.956 1.894 2.016 . 0 0 "[ . 1 . 2]" 1
438 1 30 ILE MD 1 35 ARG HA . . 3.500 3.205 2.300 3.583 0.083 4 0 "[ . 1 . 2]" 1
439 1 30 ILE MD 1 36 VAL HA . . 5.300 3.989 2.836 5.050 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE MD 1 37 PRO HD3 . . 4.520 2.546 2.054 3.524 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE MD 1 37 PRO HG3 . . 4.590 2.825 2.500 3.311 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE HG12 1 30 ILE MG . . 3.720 2.402 2.360 2.453 . 0 0 "[ . 1 . 2]" 1
443 1 30 ILE HG13 1 30 ILE MG . . 3.710 3.214 3.207 3.227 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE HG13 1 31 LYS H . . 4.430 4.142 3.898 4.416 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE MG 1 31 LYS H . . 4.080 3.782 3.487 3.943 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE MG 1 33 GLY H . . 4.830 4.053 3.757 4.515 . 0 0 "[ . 1 . 2]" 1
447 1 30 ILE MG 1 33 GLY HA3 . . 5.030 5.122 4.974 5.207 0.177 8 0 "[ . 1 . 2]" 1
448 1 31 LYS H 1 31 LYS HG2 . . 4.030 3.168 2.043 4.166 0.136 18 0 "[ . 1 . 2]" 1
449 1 31 LYS H 1 31 LYS HG3 . . 5.200 2.546 2.053 4.329 . 0 0 "[ . 1 . 2]" 1
450 1 31 LYS H 1 32 ASP H . . 3.770 2.626 2.495 2.828 . 0 0 "[ . 1 . 2]" 1
451 1 31 LYS HA 1 31 LYS HD2 . . 5.000 4.338 2.139 4.884 . 0 0 "[ . 1 . 2]" 1
452 1 31 LYS HA 1 31 LYS HD3 . . 5.410 4.356 2.087 5.454 0.044 16 0 "[ . 1 . 2]" 1
453 1 31 LYS HA 1 31 LYS HE2 . . 5.500 4.872 4.076 5.673 0.173 2 0 "[ . 1 . 2]" 1
454 1 31 LYS HA 1 31 LYS HE3 . . 5.500 4.666 2.678 5.630 0.130 13 0 "[ . 1 . 2]" 1
455 1 31 LYS HA 1 32 ASP H . . 4.400 3.467 3.282 3.534 . 0 0 "[ . 1 . 2]" 1
456 1 31 LYS QB 1 31 LYS HD2 . . 3.430 2.719 2.273 3.327 . 0 0 "[ . 1 . 2]" 1
457 1 31 LYS QB 1 32 ASP H . . 4.630 2.861 2.339 3.926 . 0 0 "[ . 1 . 2]" 1
458 1 31 LYS HD2 1 31 LYS HG2 . . 3.080 2.680 2.426 3.025 . 0 0 "[ . 1 . 2]" 1
459 1 31 LYS HE2 1 31 LYS HG2 . . 4.310 3.161 2.102 3.758 . 0 0 "[ . 1 . 2]" 1
460 1 31 LYS HE2 1 31 LYS HG3 . . 4.390 3.163 2.509 4.241 . 0 0 "[ . 1 . 2]" 1
461 1 31 LYS HG3 1 32 ASP H . . 4.870 4.258 2.557 4.936 0.066 20 0 "[ . 1 . 2]" 1
462 1 32 ASP H 1 32 ASP HB2 . . 4.060 2.540 2.429 2.744 . 0 0 "[ . 1 . 2]" 1
463 1 32 ASP H 1 32 ASP HB3 . . 4.400 3.341 2.412 3.765 . 0 0 "[ . 1 . 2]" 1
464 1 32 ASP H 1 33 GLY H . . 3.700 2.444 2.052 2.684 . 0 0 "[ . 1 . 2]" 1
465 1 32 ASP HA 1 33 GLY H . . 4.170 3.455 3.252 3.594 . 0 0 "[ . 1 . 2]" 1
466 1 32 ASP HB2 1 33 GLY H . . 4.760 3.106 2.168 3.988 . 0 0 "[ . 1 . 2]" 1
467 1 33 GLY H 1 34 CYS H . . 3.570 2.689 2.071 3.601 0.031 13 0 "[ . 1 . 2]" 1
468 1 33 GLY HA2 1 34 CYS H . . 4.930 2.877 2.242 3.551 . 0 0 "[ . 1 . 2]" 1
469 1 33 GLY HA3 1 34 CYS H . . 4.460 3.113 2.020 3.562 . 0 0 "[ . 1 . 2]" 1
470 1 34 CYS H 1 34 CYS HB2 . . 4.360 2.930 2.369 3.555 . 0 0 "[ . 1 . 2]" 1
471 1 34 CYS H 1 34 CYS HB3 . . 3.790 3.347 2.549 3.826 0.036 5 0 "[ . 1 . 2]" 1
472 1 34 CYS HA 1 35 ARG H . . 3.230 2.397 2.130 3.413 0.183 13 0 "[ . 1 . 2]" 1
473 1 34 CYS HB2 1 35 ARG H . . 4.130 3.811 1.905 4.175 0.045 10 0 "[ . 1 . 2]" 1
474 1 34 CYS HB2 1 36 VAL H . . 4.790 3.968 2.516 4.817 0.027 19 0 "[ . 1 . 2]" 1
475 1 34 CYS HB3 1 35 ARG H . . 4.800 3.186 2.154 4.082 . 0 0 "[ . 1 . 2]" 1
476 1 34 CYS HB3 1 36 VAL H . . 5.420 3.215 2.242 4.386 . 0 0 "[ . 1 . 2]" 1
477 1 35 ARG H 1 35 ARG QB . . 3.480 2.444 2.214 2.947 . 0 0 "[ . 1 . 2]" 1
478 1 35 ARG H 1 35 ARG QG . . 4.160 2.941 1.982 4.177 0.017 13 0 "[ . 1 . 2]" 1
479 1 35 ARG H 1 36 VAL H . . 3.600 2.561 1.909 3.147 . 0 0 "[ . 1 . 2]" 1
480 1 35 ARG HA 1 35 ARG QD . . 5.120 3.925 2.114 4.556 . 0 0 "[ . 1 . 2]" 1
481 1 35 ARG HA 1 36 VAL H . . 4.600 3.308 2.902 3.566 . 0 0 "[ . 1 . 2]" 1
482 1 35 ARG QB 1 35 ARG QG . . 2.420 2.069 1.983 2.095 . 0 0 "[ . 1 . 2]" 1
483 1 35 ARG QB 1 36 VAL H . . 4.720 3.320 2.629 3.936 . 0 0 "[ . 1 . 2]" 1
484 1 36 VAL H 1 36 VAL HB . . 3.910 3.190 2.943 3.576 . 0 0 "[ . 1 . 2]" 1
485 1 36 VAL H 1 36 VAL MG1 . . 3.880 2.145 1.942 2.568 . 0 0 "[ . 1 . 2]" 1
486 1 36 VAL HA 1 36 VAL MG1 . . 3.550 3.226 3.193 3.254 . 0 0 "[ . 1 . 2]" 1
487 1 36 VAL HA 1 36 VAL MG2 . . 3.650 2.478 2.420 2.535 . 0 0 "[ . 1 . 2]" 1
488 1 36 VAL HA 1 37 PRO HD2 . . 3.350 2.270 2.117 2.461 . 0 0 "[ . 1 . 2]" 1
489 1 36 VAL HB 1 37 PRO HD2 . . 4.980 4.273 3.936 4.556 . 0 0 "[ . 1 . 2]" 1
490 1 36 VAL MG1 1 36 VAL MG2 . . 2.400 2.080 2.057 2.099 . 0 0 "[ . 1 . 2]" 1
491 1 36 VAL MG1 1 37 PRO HD2 . . 5.060 4.636 4.440 4.790 . 0 0 "[ . 1 . 2]" 1
492 1 36 VAL MG2 1 37 PRO HD2 . . 4.130 2.839 2.216 3.221 . 0 0 "[ . 1 . 2]" 1
493 1 37 PRO HA 1 37 PRO HD2 . . 4.300 4.041 4.011 4.079 . 0 0 "[ . 1 . 2]" 1
494 1 37 PRO HA 1 37 PRO HD3 . . 4.240 3.850 3.753 3.907 . 0 0 "[ . 1 . 2]" 1
495 1 37 PRO HA 1 38 ALA H . . 3.110 2.155 2.108 2.245 . 0 0 "[ . 1 . 2]" 1
496 1 37 PRO HB2 1 38 ALA H . . 4.070 3.462 3.172 3.515 . 0 0 "[ . 1 . 2]" 1
497 1 37 PRO HB3 1 37 PRO HD3 . . 3.810 3.256 3.094 3.386 . 0 0 "[ . 1 . 2]" 1
498 1 37 PRO HB3 1 38 ALA H . . 4.830 4.006 3.873 4.058 . 0 0 "[ . 1 . 2]" 1
499 1 38 ALA H 1 38 ALA MB . . 3.550 2.847 2.766 2.912 . 0 0 "[ . 1 . 2]" 1
500 1 38 ALA HA 1 39 VAL H . . 3.230 2.321 2.198 2.613 . 0 0 "[ . 1 . 2]" 1
501 1 38 ALA HA 1 53 PRO QB . . 5.500 3.496 2.711 4.180 . 0 0 "[ . 1 . 2]" 1
502 1 38 ALA HA 1 53 PRO HG3 . . 5.000 2.322 1.912 2.993 . 0 0 "[ . 1 . 2]" 1
503 1 38 ALA MB 1 39 VAL H . . 3.410 2.590 2.116 2.947 . 0 0 "[ . 1 . 2]" 1
504 1 38 ALA MB 1 50 CYS HA . . 4.860 3.356 2.734 4.222 . 0 0 "[ . 1 . 2]" 1
505 1 38 ALA MB 1 50 CYS HB2 . . 4.990 3.698 3.010 4.197 . 0 0 "[ . 1 . 2]" 1
506 1 38 ALA MB 1 50 CYS HB3 . . 4.490 2.375 1.845 2.838 . 0 0 "[ . 1 . 2]" 1
507 1 38 ALA MB 1 51 ALA H . . 4.180 3.097 2.720 3.518 . 0 0 "[ . 1 . 2]" 1
508 1 38 ALA MB 1 53 PRO HD2 . . 4.840 4.065 3.467 4.356 . 0 0 "[ . 1 . 2]" 1
509 1 39 VAL H 1 39 VAL HB . . 3.650 2.969 2.922 3.116 . 0 0 "[ . 1 . 2]" 1
510 1 39 VAL H 1 39 VAL MG1 . . 4.070 2.077 2.021 2.189 . 0 0 "[ . 1 . 2]" 1
511 1 39 VAL H 1 39 VAL MG2 . . 4.370 3.846 3.819 3.889 . 0 0 "[ . 1 . 2]" 1
512 1 39 VAL H 1 51 ALA H . . 4.120 3.088 2.928 3.302 . 0 0 "[ . 1 . 2]" 1
513 1 39 VAL H 1 51 ALA MB . . 5.020 4.080 3.828 4.391 . 0 0 "[ . 1 . 2]" 1
514 1 39 VAL H 1 53 PRO HD2 . . 4.510 4.347 3.755 4.556 0.046 14 0 "[ . 1 . 2]" 1
515 1 39 VAL H 1 53 PRO HD3 . . 5.420 2.628 1.992 2.939 . 0 0 "[ . 1 . 2]" 1
516 1 39 VAL HA 1 39 VAL MG1 . . 3.630 3.241 3.231 3.255 . 0 0 "[ . 1 . 2]" 1
517 1 39 VAL HA 1 40 VAL H . . 3.090 2.167 2.107 2.221 . 0 0 "[ . 1 . 2]" 1
518 1 39 VAL HA 1 51 ALA H . . 5.190 4.786 4.632 4.938 . 0 0 "[ . 1 . 2]" 1
519 1 39 VAL HB 1 51 ALA H . . 5.360 5.278 5.048 5.427 0.067 16 0 "[ . 1 . 2]" 1
520 1 39 VAL HB 1 58 VAL MG1 . . 4.420 3.857 3.585 4.116 . 0 0 "[ . 1 . 2]" 1
521 1 39 VAL MG1 1 40 VAL H . . 4.350 4.029 3.916 4.129 . 0 0 "[ . 1 . 2]" 1
522 1 39 VAL MG1 1 53 PRO HA . . 3.610 2.793 2.277 3.197 . 0 0 "[ . 1 . 2]" 1
523 1 39 VAL MG1 1 53 PRO QB . . 4.210 2.945 2.483 3.657 . 0 0 "[ . 1 . 2]" 1
524 1 39 VAL MG1 1 53 PRO HG3 . . 4.990 4.060 2.317 4.680 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL MG2 1 40 VAL H . . 3.780 2.720 2.622 2.885 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL MG2 1 51 ALA H . . 5.000 4.631 4.359 4.865 . 0 0 "[ . 1 . 2]" 1
527 1 39 VAL MG2 1 53 PRO HA . . 5.020 4.781 4.066 5.068 0.048 3 0 "[ . 1 . 2]" 1
528 1 39 VAL MG2 1 62 ILE MD . . 3.580 2.653 2.051 3.024 . 0 0 "[ . 1 . 2]" 1
529 1 40 VAL H 1 40 VAL HB . . 3.550 3.647 3.621 3.674 0.124 18 0 "[ . 1 . 2]" 1
530 1 40 VAL H 1 40 VAL MG1 . . 3.600 2.299 2.080 2.467 . 0 0 "[ . 1 . 2]" 1
531 1 40 VAL H 1 40 VAL MG2 . . 4.750 2.298 2.073 2.735 . 0 0 "[ . 1 . 2]" 1
532 1 40 VAL HA 1 40 VAL MG1 . . 3.750 2.484 2.325 2.684 . 0 0 "[ . 1 . 2]" 1
533 1 40 VAL HA 1 41 PHE H . . 3.170 2.054 1.972 2.142 . 0 0 "[ . 1 . 2]" 1
534 1 40 VAL HA 1 49 LEU H . . 4.960 3.803 3.504 4.213 . 0 0 "[ . 1 . 2]" 1
535 1 40 VAL HA 1 50 CYS HA . . 4.200 2.525 1.898 3.033 . 0 0 "[ . 1 . 2]" 1
536 1 40 VAL HA 1 51 ALA H . . 4.540 3.431 3.050 3.941 . 0 0 "[ . 1 . 2]" 1
537 1 40 VAL HB 1 41 PHE H . . 4.920 3.196 3.050 3.404 . 0 0 "[ . 1 . 2]" 1
538 1 40 VAL MG1 1 40 VAL MG2 . . 2.400 2.090 2.055 2.131 . 0 0 "[ . 1 . 2]" 1
539 1 40 VAL MG1 1 41 PHE H . . 4.870 4.054 3.859 4.307 . 0 0 "[ . 1 . 2]" 1
540 1 40 VAL MG1 1 48 GLN HB3 . . 4.890 3.382 2.951 4.717 . 0 0 "[ . 1 . 2]" 1
541 1 40 VAL MG1 1 50 CYS H . . 4.740 4.503 3.984 4.769 0.029 14 0 "[ . 1 . 2]" 1
542 1 40 VAL MG1 1 50 CYS HA . . 4.640 3.200 2.559 3.892 . 0 0 "[ . 1 . 2]" 1
543 1 40 VAL MG2 1 41 PHE H . . 3.730 3.724 3.490 3.812 0.082 11 0 "[ . 1 . 2]" 1
544 1 40 VAL MG2 1 48 GLN HA . . 5.480 3.923 3.608 4.374 . 0 0 "[ . 1 . 2]" 1
545 1 40 VAL MG2 1 48 GLN HB2 . . 4.720 3.958 2.630 4.516 . 0 0 "[ . 1 . 2]" 1
546 1 40 VAL MG2 1 48 GLN HB3 . . 3.800 2.787 2.349 3.210 . 0 0 "[ . 1 . 2]" 1
547 1 40 VAL MG2 1 48 GLN HG3 . . 4.650 3.806 2.429 4.648 . 0 0 "[ . 1 . 2]" 1
548 1 40 VAL MG2 1 49 LEU H . . 4.200 4.275 4.208 4.326 0.126 3 0 "[ . 1 . 2]" 1
549 1 41 PHE H 1 41 PHE HB2 . . 4.250 2.356 2.287 2.450 . 0 0 "[ . 1 . 2]" 1
550 1 41 PHE H 1 41 PHE HB3 . . 3.750 3.599 3.550 3.649 . 0 0 "[ . 1 . 2]" 1
551 1 41 PHE H 1 41 PHE QD . . 4.630 3.636 3.515 3.755 . 0 0 "[ . 1 . 2]" 1
552 1 41 PHE H 1 49 LEU QB . . 4.590 3.717 3.502 4.085 . 0 0 "[ . 1 . 2]" 1
553 1 41 PHE H 1 50 CYS HA . . 5.220 3.556 2.647 4.190 . 0 0 "[ . 1 . 2]" 1
554 1 41 PHE HA 1 41 PHE QD . . 3.490 2.014 1.911 2.120 . 0 0 "[ . 1 . 2]" 1
555 1 41 PHE HA 1 41 PHE QE . . 4.280 4.255 4.196 4.300 0.020 11 0 "[ . 1 . 2]" 1
556 1 41 PHE HA 1 42 THR H . . 3.250 2.077 2.020 2.114 . 0 0 "[ . 1 . 2]" 1
557 1 41 PHE HB2 1 42 THR H . . 4.520 4.380 4.273 4.433 . 0 0 "[ . 1 . 2]" 1
558 1 41 PHE HB2 1 49 LEU QB . . 4.900 3.303 3.090 3.452 . 0 0 "[ . 1 . 2]" 1
559 1 41 PHE HB3 1 42 THR H . . 5.100 3.546 3.268 3.709 . 0 0 "[ . 1 . 2]" 1
560 1 41 PHE HB3 1 49 LEU H . . 4.860 4.434 4.187 4.669 . 0 0 "[ . 1 . 2]" 1
561 1 41 PHE HB3 1 49 LEU QB . . 4.400 4.454 4.394 4.490 0.090 20 0 "[ . 1 . 2]" 1
562 1 41 PHE QD 1 42 THR H . . 4.220 3.538 3.301 3.680 . 0 0 "[ . 1 . 2]" 1
563 1 41 PHE QD 1 49 LEU QB . . 5.500 4.406 3.972 4.681 . 0 0 "[ . 1 . 2]" 1
564 1 41 PHE QD 1 51 ALA MB . . 3.820 2.392 2.271 2.528 . 0 0 "[ . 1 . 2]" 1
565 1 41 PHE QD 1 58 VAL MG2 . . 5.390 4.389 4.154 4.717 . 0 0 "[ . 1 . 2]" 1
566 1 41 PHE QD 1 65 LEU MD1 . . 4.470 3.256 2.787 4.470 . 0 0 "[ . 1 . 2]" 1
567 1 41 PHE QE 1 51 ALA MB . . 4.000 2.309 2.085 2.859 . 0 0 "[ . 1 . 2]" 1
568 1 41 PHE QE 1 57 TRP HH2 . . 3.200 3.188 2.956 3.249 0.049 17 0 "[ . 1 . 2]" 1
569 1 41 PHE QE 1 57 TRP HZ2 . . 4.340 4.351 4.201 4.395 0.055 19 0 "[ . 1 . 2]" 1
570 1 41 PHE QE 1 58 VAL HA . . 4.490 3.730 3.395 4.194 . 0 0 "[ . 1 . 2]" 1
571 1 41 PHE QE 1 58 VAL MG1 . . 4.420 2.841 2.707 2.998 . 0 0 "[ . 1 . 2]" 1
572 1 41 PHE QE 1 58 VAL MG2 . . 4.440 2.479 2.199 2.789 . 0 0 "[ . 1 . 2]" 1
573 1 41 PHE QE 1 61 ILE MD . . 3.710 2.375 2.147 2.564 . 0 0 "[ . 1 . 2]" 1
574 1 41 PHE QE 1 62 ILE HG12 . . 5.150 2.934 2.341 4.263 . 0 0 "[ . 1 . 2]" 1
575 1 41 PHE QE 1 62 ILE HG13 . . 5.450 3.705 3.006 5.020 . 0 0 "[ . 1 . 2]" 1
576 1 41 PHE HZ 1 58 VAL HA . . 4.290 3.211 2.821 3.611 . 0 0 "[ . 1 . 2]" 1
577 1 41 PHE HZ 1 58 VAL MG1 . . 3.880 1.972 1.916 2.138 . 0 0 "[ . 1 . 2]" 1
578 1 41 PHE HZ 1 58 VAL MG2 . . 4.550 3.308 3.104 3.502 . 0 0 "[ . 1 . 2]" 1
579 1 41 PHE HZ 1 61 ILE HB . . 4.130 4.201 4.153 4.244 0.114 16 0 "[ . 1 . 2]" 1
580 1 41 PHE HZ 1 61 ILE MD . . 4.230 2.402 2.242 2.571 . 0 0 "[ . 1 . 2]" 1
581 1 41 PHE HZ 1 61 ILE HG13 . . 4.820 2.347 2.221 2.504 . 0 0 "[ . 1 . 2]" 1
582 1 41 PHE HZ 1 62 ILE HG12 . . 4.930 3.361 3.012 3.607 . 0 0 "[ . 1 . 2]" 1
583 1 41 PHE HZ 1 62 ILE HG13 . . 5.500 3.129 2.671 4.791 . 0 0 "[ . 1 . 2]" 1
584 1 42 THR H 1 42 THR HB . . 3.610 2.395 2.359 2.465 . 0 0 "[ . 1 . 2]" 1
585 1 42 THR H 1 42 THR MG . . 4.620 3.741 3.715 3.784 . 0 0 "[ . 1 . 2]" 1
586 1 42 THR H 1 43 THR H . . 5.120 4.211 4.113 4.275 . 0 0 "[ . 1 . 2]" 1
587 1 42 THR HA 1 42 THR MG . . 3.630 2.451 2.397 2.514 . 0 0 "[ . 1 . 2]" 1
588 1 42 THR HA 1 43 THR H . . 3.030 2.167 2.125 2.200 . 0 0 "[ . 1 . 2]" 1
589 1 42 THR HA 1 47 ARG H . . 5.210 4.376 4.111 4.820 . 0 0 "[ . 1 . 2]" 1
590 1 42 THR HA 1 48 GLN HG3 . . 4.590 3.654 2.754 4.629 0.039 13 0 "[ . 1 . 2]" 1
591 1 42 THR HA 1 49 LEU H . . 4.940 3.837 3.587 4.128 . 0 0 "[ . 1 . 2]" 1
592 1 42 THR HB 1 43 THR H . . 4.890 4.404 4.345 4.436 . 0 0 "[ . 1 . 2]" 1
593 1 42 THR MG 1 43 THR H . . 3.710 3.268 3.191 3.362 . 0 0 "[ . 1 . 2]" 1
594 1 42 THR MG 1 46 GLY H . . 4.320 3.620 3.388 3.858 . 0 0 "[ . 1 . 2]" 1
595 1 42 THR MG 1 46 GLY HA2 . . 4.420 2.556 2.268 2.740 . 0 0 "[ . 1 . 2]" 1
596 1 42 THR MG 1 46 GLY HA3 . . 4.060 3.929 3.599 4.104 0.044 11 0 "[ . 1 . 2]" 1
597 1 42 THR MG 1 47 ARG H . . 4.540 3.902 3.499 4.307 . 0 0 "[ . 1 . 2]" 1
598 1 43 THR H 1 43 THR MG . . 3.280 2.246 2.190 2.340 . 0 0 "[ . 1 . 2]" 1
599 1 43 THR H 1 46 GLY H . . 5.200 3.795 3.559 4.088 . 0 0 "[ . 1 . 2]" 1
600 1 43 THR H 1 47 ARG H . . 4.040 3.197 2.905 3.715 . 0 0 "[ . 1 . 2]" 1
601 1 43 THR H 1 47 ARG HB3 . . 4.660 4.472 3.689 4.719 0.059 20 0 "[ . 1 . 2]" 1
602 1 43 THR H 1 48 GLN HA . . 4.900 3.480 3.080 4.047 . 0 0 "[ . 1 . 2]" 1
603 1 43 THR HA 1 44 LEU H . . 3.350 2.536 2.483 2.612 . 0 0 "[ . 1 . 2]" 1
604 1 43 THR HA 1 45 ARG H . . 5.000 4.185 4.048 4.341 . 0 0 "[ . 1 . 2]" 1
605 1 43 THR HB 1 44 LEU H . . 3.380 2.283 2.073 2.459 . 0 0 "[ . 1 . 2]" 1
606 1 43 THR HB 1 45 ARG H . . 4.210 2.706 2.415 2.998 . 0 0 "[ . 1 . 2]" 1
607 1 43 THR MG 1 44 LEU H . . 4.220 3.627 3.539 3.730 . 0 0 "[ . 1 . 2]" 1
608 1 43 THR MG 1 45 ARG H . . 4.820 4.230 4.057 4.432 . 0 0 "[ . 1 . 2]" 1
609 1 43 THR MG 1 47 ARG H . . 4.350 4.113 3.706 4.388 0.038 10 0 "[ . 1 . 2]" 1
610 1 43 THR MG 1 47 ARG HB3 . . 4.350 4.169 3.346 4.391 0.041 6 0 "[ . 1 . 2]" 1
611 1 43 THR MG 1 48 GLN HA . . 5.400 4.219 3.686 4.725 . 0 0 "[ . 1 . 2]" 1
612 1 44 LEU H 1 44 LEU HB2 . . 3.680 2.424 2.377 2.466 . 0 0 "[ . 1 . 2]" 1
613 1 44 LEU H 1 44 LEU HB3 . . 3.380 3.486 3.475 3.495 0.115 11 0 "[ . 1 . 2]" 1
614 1 44 LEU H 1 44 LEU MD1 . . 4.510 3.558 3.512 3.625 . 0 0 "[ . 1 . 2]" 1
615 1 44 LEU H 1 44 LEU MD2 . . 4.200 3.142 2.936 3.260 . 0 0 "[ . 1 . 2]" 1
616 1 44 LEU H 1 44 LEU HG . . 4.180 2.153 2.044 2.254 . 0 0 "[ . 1 . 2]" 1
617 1 44 LEU H 1 45 ARG H . . 4.040 2.569 2.412 2.739 . 0 0 "[ . 1 . 2]" 1
618 1 44 LEU HA 1 44 LEU MD1 . . 4.770 3.852 3.830 3.869 . 0 0 "[ . 1 . 2]" 1
619 1 44 LEU HA 1 44 LEU MD2 . . 3.480 2.068 2.031 2.090 . 0 0 "[ . 1 . 2]" 1
620 1 44 LEU HA 1 44 LEU HG . . 4.030 3.170 3.139 3.256 . 0 0 "[ . 1 . 2]" 1
621 1 44 LEU HA 1 45 ARG H . . 4.410 3.428 3.380 3.479 . 0 0 "[ . 1 . 2]" 1
622 1 44 LEU HA 1 46 GLY H . . 4.720 3.752 3.586 3.948 . 0 0 "[ . 1 . 2]" 1
623 1 44 LEU HB2 1 44 LEU HG . . 2.590 2.448 2.404 2.467 . 0 0 "[ . 1 . 2]" 1
624 1 44 LEU HB2 1 45 ARG H . . 3.920 2.769 2.672 2.863 . 0 0 "[ . 1 . 2]" 1
625 1 44 LEU HB3 1 45 ARG H . . 3.730 3.765 3.732 3.800 0.070 4 0 "[ . 1 . 2]" 1
626 1 44 LEU MD1 1 44 LEU MD2 . . 2.870 2.083 2.074 2.088 . 0 0 "[ . 1 . 2]" 1
627 1 44 LEU MD2 1 45 ARG H . . 4.930 4.610 4.499 4.681 . 0 0 "[ . 1 . 2]" 1
628 1 44 LEU HG 1 45 ARG H . . 5.030 4.304 4.186 4.464 . 0 0 "[ . 1 . 2]" 1
629 1 45 ARG H 1 45 ARG HB3 . . 3.300 2.478 2.356 2.589 . 0 0 "[ . 1 . 2]" 1
630 1 45 ARG H 1 45 ARG QD . . 5.070 4.291 4.078 4.564 . 0 0 "[ . 1 . 2]" 1
631 1 45 ARG H 1 45 ARG HG2 . . 5.020 4.588 4.490 4.679 . 0 0 "[ . 1 . 2]" 1
632 1 45 ARG H 1 45 ARG HG3 . . 5.270 4.456 4.369 4.521 . 0 0 "[ . 1 . 2]" 1
633 1 45 ARG H 1 46 GLY H . . 3.510 2.583 2.482 2.673 . 0 0 "[ . 1 . 2]" 1
634 1 45 ARG H 1 47 ARG H . . 4.690 3.845 3.563 4.066 . 0 0 "[ . 1 . 2]" 1
635 1 45 ARG HA 1 45 ARG QD . . 4.210 2.202 2.011 2.899 . 0 0 "[ . 1 . 2]" 1
636 1 45 ARG HA 1 45 ARG HG2 . . 3.760 3.788 3.762 3.807 0.047 6 0 "[ . 1 . 2]" 1
637 1 45 ARG HA 1 45 ARG HG3 . . 3.750 3.170 3.044 3.236 . 0 0 "[ . 1 . 2]" 1
638 1 45 ARG HA 1 46 GLY H . . 4.010 3.449 3.319 3.521 . 0 0 "[ . 1 . 2]" 1
639 1 45 ARG HB2 1 45 ARG QD . . 3.690 2.491 2.356 3.013 . 0 0 "[ . 1 . 2]" 1
640 1 45 ARG HB2 1 47 ARG H . . 5.190 4.529 4.223 4.802 . 0 0 "[ . 1 . 2]" 1
641 1 45 ARG HB3 1 45 ARG HG2 . . 2.660 2.419 2.389 2.450 . 0 0 "[ . 1 . 2]" 1
642 1 45 ARG HB3 1 45 ARG HG3 . . 2.560 2.445 2.425 2.478 . 0 0 "[ . 1 . 2]" 1
643 1 45 ARG HB3 1 46 GLY H . . 4.320 3.086 2.750 3.527 . 0 0 "[ . 1 . 2]" 1
644 1 45 ARG HB3 1 47 ARG H . . 3.400 2.871 2.523 3.261 . 0 0 "[ . 1 . 2]" 1
645 1 45 ARG HG3 1 46 GLY H . . 4.710 4.217 3.876 4.599 . 0 0 "[ . 1 . 2]" 1
646 1 46 GLY H 1 47 ARG H . . 3.460 2.228 2.137 2.461 . 0 0 "[ . 1 . 2]" 1
647 1 46 GLY HA2 1 47 ARG H . . 4.520 3.119 3.041 3.312 . 0 0 "[ . 1 . 2]" 1
648 1 46 GLY HA3 1 47 ARG H . . 4.350 3.361 3.188 3.440 . 0 0 "[ . 1 . 2]" 1
649 1 47 ARG H 1 47 ARG HB2 . . 4.190 2.393 2.234 2.725 . 0 0 "[ . 1 . 2]" 1
650 1 47 ARG H 1 47 ARG HB3 . . 4.300 3.278 2.420 3.648 . 0 0 "[ . 1 . 2]" 1
651 1 47 ARG H 1 47 ARG HG2 . . 4.260 3.577 2.478 4.346 0.086 3 0 "[ . 1 . 2]" 1
652 1 47 ARG HA 1 47 ARG HG2 . . 4.240 2.668 2.425 3.099 . 0 0 "[ . 1 . 2]" 1
653 1 47 ARG HA 1 48 GLN H . . 3.110 2.148 2.032 2.304 . 0 0 "[ . 1 . 2]" 1
654 1 47 ARG HB2 1 47 ARG QD . . 3.550 3.115 2.373 3.502 . 0 0 "[ . 1 . 2]" 1
655 1 47 ARG HB2 1 48 GLN H . . 4.770 4.198 3.838 4.456 . 0 0 "[ . 1 . 2]" 1
656 1 47 ARG HB3 1 48 GLN H . . 3.630 3.322 2.791 3.771 0.141 10 0 "[ . 1 . 2]" 1
657 1 47 ARG HG2 1 48 GLN H . . 4.680 4.172 2.315 4.769 0.089 16 0 "[ . 1 . 2]" 1
658 1 48 GLN H 1 48 GLN HB2 . . 3.630 2.571 2.349 3.666 0.036 1 0 "[ . 1 . 2]" 1
659 1 48 GLN H 1 48 GLN HG2 . . 4.320 3.884 3.610 4.238 . 0 0 "[ . 1 . 2]" 1
660 1 48 GLN H 1 48 GLN HG3 . . 4.570 3.043 2.150 4.054 . 0 0 "[ . 1 . 2]" 1
661 1 48 GLN HA 1 48 GLN HG2 . . 4.300 3.076 2.469 4.267 . 0 0 "[ . 1 . 2]" 1
662 1 48 GLN HA 1 48 GLN HG3 . . 4.450 2.978 2.504 3.725 . 0 0 "[ . 1 . 2]" 1
663 1 48 GLN HA 1 49 LEU H . . 3.160 2.136 2.049 2.251 . 0 0 "[ . 1 . 2]" 1
664 1 48 GLN HB2 1 49 LEU H . . 4.810 4.128 2.790 4.367 . 0 0 "[ . 1 . 2]" 1
665 1 48 GLN HB3 1 49 LEU H . . 4.120 3.346 2.877 3.734 . 0 0 "[ . 1 . 2]" 1
666 1 49 LEU H 1 49 LEU QB . . 3.700 2.564 2.463 2.632 . 0 0 "[ . 1 . 2]" 1
667 1 49 LEU H 1 49 LEU MD1 . . 4.660 4.089 2.602 4.632 . 0 0 "[ . 1 . 2]" 1
668 1 49 LEU HA 1 49 LEU MD1 . . 4.480 2.542 2.029 3.768 . 0 0 "[ . 1 . 2]" 1
669 1 49 LEU HA 1 49 LEU MD2 . . 4.230 3.086 2.070 3.867 . 0 0 "[ . 1 . 2]" 1
670 1 49 LEU HA 1 50 CYS H . . 3.270 2.261 2.114 2.364 . 0 0 "[ . 1 . 2]" 1
671 1 49 LEU QB 1 49 LEU HG . . 2.400 2.290 2.166 2.402 0.002 3 0 "[ . 1 . 2]" 1
672 1 49 LEU QB 1 50 CYS H . . 3.760 3.450 2.562 3.786 0.026 6 0 "[ . 1 . 2]" 1
673 1 49 LEU MD1 1 50 CYS H . . 4.270 2.511 1.724 4.441 0.171 3 0 "[ . 1 . 2]" 1
674 1 49 LEU HG 1 50 CYS H . . 4.270 3.610 2.312 4.443 0.173 17 0 "[ . 1 . 2]" 1
675 1 50 CYS H 1 50 CYS HB2 . . 3.550 2.499 2.237 2.709 . 0 0 "[ . 1 . 2]" 1
676 1 50 CYS H 1 50 CYS HB3 . . 4.070 3.520 3.406 3.643 . 0 0 "[ . 1 . 2]" 1
677 1 50 CYS HA 1 51 ALA H . . 3.660 2.238 2.102 2.342 . 0 0 "[ . 1 . 2]" 1
678 1 50 CYS HB2 1 51 ALA H . . 5.250 4.046 3.805 4.239 . 0 0 "[ . 1 . 2]" 1
679 1 50 CYS HB3 1 51 ALA H . . 4.550 3.256 2.504 3.660 . 0 0 "[ . 1 . 2]" 1
680 1 51 ALA H 1 51 ALA MB . . 3.590 2.555 2.491 2.605 . 0 0 "[ . 1 . 2]" 1
681 1 51 ALA MB 1 57 TRP HH2 . . 3.550 2.838 2.659 2.980 . 0 0 "[ . 1 . 2]" 1
682 1 51 ALA MB 1 57 TRP HZ2 . . 3.930 2.571 2.250 2.890 . 0 0 "[ . 1 . 2]" 1
683 1 51 ALA MB 1 57 TRP HZ3 . . 4.410 4.403 4.223 4.497 0.087 16 0 "[ . 1 . 2]" 1
684 1 51 ALA MB 1 58 VAL HB . . 4.960 4.605 4.290 4.875 . 0 0 "[ . 1 . 2]" 1
685 1 51 ALA MB 1 58 VAL MG2 . . 3.440 2.331 2.115 2.582 . 0 0 "[ . 1 . 2]" 1
686 1 52 PRO HA 1 52 PRO HG2 . . 4.060 3.794 3.708 3.870 . 0 0 "[ . 1 . 2]" 1
687 1 52 PRO HD2 1 57 TRP HE1 . . 5.130 3.141 2.794 3.598 . 0 0 "[ . 1 . 2]" 1
688 1 52 PRO HG2 1 57 TRP HE1 . . 5.240 2.452 2.218 2.785 . 0 0 "[ . 1 . 2]" 1
689 1 52 PRO HG2 1 57 TRP HZ2 . . 3.670 3.642 3.335 3.707 0.037 11 0 "[ . 1 . 2]" 1
690 1 52 PRO HG3 1 57 TRP HD1 . . 4.420 4.484 4.458 4.518 0.098 3 0 "[ . 1 . 2]" 1
691 1 52 PRO HG3 1 57 TRP HE1 . . 4.610 2.415 2.279 2.516 . 0 0 "[ . 1 . 2]" 1
692 1 53 PRO HA 1 53 PRO HD2 . . 4.580 4.074 3.923 4.124 . 0 0 "[ . 1 . 2]" 1
693 1 53 PRO HA 1 53 PRO HD3 . . 4.750 3.643 3.517 3.876 . 0 0 "[ . 1 . 2]" 1
694 1 53 PRO HA 1 53 PRO HG3 . . 4.340 3.906 3.139 4.067 . 0 0 "[ . 1 . 2]" 1
695 1 53 PRO HA 1 54 ASP H . . 3.900 3.407 3.321 3.483 . 0 0 "[ . 1 . 2]" 1
696 1 53 PRO HA 1 55 GLN H . . 5.500 4.005 3.756 4.462 . 0 0 "[ . 1 . 2]" 1
697 1 53 PRO HA 1 58 VAL MG1 . . 3.830 2.326 2.121 2.615 . 0 0 "[ . 1 . 2]" 1
698 1 53 PRO HA 1 58 VAL MG2 . . 5.110 3.773 3.539 3.945 . 0 0 "[ . 1 . 2]" 1
699 1 53 PRO QB 1 54 ASP H . . 3.770 3.452 3.120 3.672 . 0 0 "[ . 1 . 2]" 1
700 1 53 PRO HD2 1 54 ASP H . . 4.830 2.791 2.511 3.040 . 0 0 "[ . 1 . 2]" 1
701 1 53 PRO HD3 1 54 ASP H . . 4.300 3.913 3.695 4.082 . 0 0 "[ . 1 . 2]" 1
702 1 53 PRO HG2 1 54 ASP H . . 4.260 3.084 2.279 4.269 0.009 2 0 "[ . 1 . 2]" 1
703 1 53 PRO HG3 1 54 ASP H . . 4.790 4.327 3.835 4.633 . 0 0 "[ . 1 . 2]" 1
704 1 54 ASP H 1 54 ASP HB2 . . 4.380 2.728 2.489 3.019 . 0 0 "[ . 1 . 2]" 1
705 1 54 ASP H 1 54 ASP HB3 . . 4.080 2.858 2.304 3.739 . 0 0 "[ . 1 . 2]" 1
706 1 54 ASP H 1 55 GLN H . . 3.600 2.302 2.080 2.470 . 0 0 "[ . 1 . 2]" 1
707 1 54 ASP HA 1 55 GLN H . . 4.160 3.349 3.149 3.520 . 0 0 "[ . 1 . 2]" 1
708 1 54 ASP HB3 1 55 GLN H . . 4.510 3.550 2.775 4.384 . 0 0 "[ . 1 . 2]" 1
709 1 55 GLN H 1 55 GLN HB2 . . 4.100 2.451 2.275 2.554 . 0 0 "[ . 1 . 2]" 1
710 1 55 GLN H 1 55 GLN HB3 . . 3.740 3.641 3.532 3.719 . 0 0 "[ . 1 . 2]" 1
711 1 55 GLN H 1 55 GLN HG2 . . 4.900 2.917 2.414 4.285 . 0 0 "[ . 1 . 2]" 1
712 1 55 GLN H 1 55 GLN HG3 . . 4.030 3.826 2.573 4.094 0.064 10 0 "[ . 1 . 2]" 1
713 1 55 GLN H 1 56 PRO QD . . 5.000 4.316 4.231 4.380 . 0 0 "[ . 1 . 2]" 1
714 1 55 GLN H 1 58 VAL HB . . 4.210 3.498 3.031 4.068 . 0 0 "[ . 1 . 2]" 1
715 1 55 GLN H 1 58 VAL MG2 . . 4.670 3.873 3.675 4.210 . 0 0 "[ . 1 . 2]" 1
716 1 55 GLN HA 1 56 PRO QD . . 4.480 1.912 1.838 2.031 . 0 0 "[ . 1 . 2]" 1
717 1 55 GLN HB2 1 56 PRO QD . . 4.460 3.856 3.576 4.057 . 0 0 "[ . 1 . 2]" 1
718 1 55 GLN HB2 1 57 TRP H . . 4.320 4.052 3.834 4.336 0.016 10 0 "[ . 1 . 2]" 1
719 1 55 GLN HB2 1 58 VAL H . . 4.250 3.566 3.383 3.986 . 0 0 "[ . 1 . 2]" 1
720 1 55 GLN HB2 1 58 VAL MG2 . . 4.400 2.920 2.702 3.289 . 0 0 "[ . 1 . 2]" 1
721 1 55 GLN HB3 1 56 PRO QD . . 4.980 2.554 2.134 2.878 . 0 0 "[ . 1 . 2]" 1
722 1 55 GLN HB3 1 57 TRP H . . 4.880 3.063 2.830 3.291 . 0 0 "[ . 1 . 2]" 1
723 1 55 GLN HB3 1 58 VAL H . . 4.500 3.807 3.471 4.018 . 0 0 "[ . 1 . 2]" 1
724 1 55 GLN HB3 1 58 VAL MG2 . . 4.310 3.903 3.705 4.103 . 0 0 "[ . 1 . 2]" 1
725 1 56 PRO HA 1 59 GLU H . . 4.420 3.495 3.241 3.826 . 0 0 "[ . 1 . 2]" 1
726 1 56 PRO HA 1 59 GLU QB . . 4.370 3.585 2.307 4.283 . 0 0 "[ . 1 . 2]" 1
727 1 56 PRO HB2 1 57 TRP H . . 4.480 2.677 2.455 3.029 . 0 0 "[ . 1 . 2]" 1
728 1 56 PRO HB3 1 57 TRP H . . 3.960 3.967 3.837 4.064 0.104 12 0 "[ . 1 . 2]" 1
729 1 56 PRO QD 1 57 TRP H . . 4.320 3.075 2.694 3.297 . 0 0 "[ . 1 . 2]" 1
730 1 57 TRP H 1 57 TRP HB2 . . 4.220 3.673 3.643 3.714 . 0 0 "[ . 1 . 2]" 1
731 1 57 TRP H 1 57 TRP HB3 . . 3.730 2.528 2.469 2.601 . 0 0 "[ . 1 . 2]" 1
732 1 57 TRP H 1 57 TRP HD1 . . 3.860 2.625 2.431 2.814 . 0 0 "[ . 1 . 2]" 1
733 1 57 TRP H 1 58 VAL H . . 3.970 2.626 2.489 2.770 . 0 0 "[ . 1 . 2]" 1
734 1 57 TRP HA 1 58 VAL H . . 4.690 3.459 3.425 3.508 . 0 0 "[ . 1 . 2]" 1
735 1 57 TRP HA 1 60 ARG H . . 4.460 3.874 3.604 4.141 . 0 0 "[ . 1 . 2]" 1
736 1 57 TRP HA 1 60 ARG QB . . 3.910 3.421 2.489 3.948 0.038 15 0 "[ . 1 . 2]" 1
737 1 57 TRP HA 1 60 ARG HG2 . . 5.290 4.102 2.168 5.315 0.025 8 0 "[ . 1 . 2]" 1
738 1 57 TRP HB2 1 57 TRP HD1 . . 4.010 3.890 3.865 3.922 . 0 0 "[ . 1 . 2]" 1
739 1 57 TRP HB2 1 57 TRP HE3 . . 3.890 2.469 2.408 2.527 . 0 0 "[ . 1 . 2]" 1
740 1 57 TRP HB3 1 57 TRP HD1 . . 3.530 2.802 2.761 2.860 . 0 0 "[ . 1 . 2]" 1
741 1 57 TRP HE3 1 61 ILE MD . . 3.410 2.502 2.256 2.760 . 0 0 "[ . 1 . 2]" 1
742 1 57 TRP HZ3 1 61 ILE MD . . 3.560 2.340 2.168 2.436 . 0 0 "[ . 1 . 2]" 1
743 1 57 TRP HZ3 1 61 ILE MG . . 4.340 3.933 3.690 4.220 . 0 0 "[ . 1 . 2]" 1
744 1 58 VAL H 1 58 VAL HB . . 3.380 2.433 2.391 2.469 . 0 0 "[ . 1 . 2]" 1
745 1 58 VAL H 1 58 VAL MG1 . . 4.350 3.749 3.723 3.768 . 0 0 "[ . 1 . 2]" 1
746 1 58 VAL H 1 58 VAL MG2 . . 3.520 2.445 2.299 2.586 . 0 0 "[ . 1 . 2]" 1
747 1 58 VAL H 1 59 GLU H . . 3.530 2.499 2.328 2.663 . 0 0 "[ . 1 . 2]" 1
748 1 58 VAL H 1 60 ARG H . . 4.890 4.074 3.706 4.401 . 0 0 "[ . 1 . 2]" 1
749 1 58 VAL HA 1 58 VAL MG1 . . 3.750 2.492 2.464 2.514 . 0 0 "[ . 1 . 2]" 1
750 1 58 VAL HA 1 59 GLU H . . 4.900 3.527 3.459 3.575 . 0 0 "[ . 1 . 2]" 1
751 1 58 VAL HA 1 61 ILE H . . 4.980 3.490 3.188 3.762 . 0 0 "[ . 1 . 2]" 1
752 1 58 VAL HA 1 61 ILE MD . . 4.390 2.058 1.972 2.258 . 0 0 "[ . 1 . 2]" 1
753 1 58 VAL HB 1 59 GLU H . . 3.430 2.782 2.631 3.070 . 0 0 "[ . 1 . 2]" 1
754 1 58 VAL MG1 1 59 GLU H . . 4.330 3.355 3.189 3.613 . 0 0 "[ . 1 . 2]" 1
755 1 58 VAL MG1 1 62 ILE H . . 4.930 3.757 3.567 3.958 . 0 0 "[ . 1 . 2]" 1
756 1 58 VAL MG1 1 62 ILE MD . . 3.860 2.001 1.902 2.256 . 0 0 "[ . 1 . 2]" 1
757 1 58 VAL MG2 1 59 GLU H . . 4.600 3.999 3.882 4.091 . 0 0 "[ . 1 . 2]" 1
758 1 59 GLU H 1 59 GLU QB . . 3.310 2.597 2.481 2.764 . 0 0 "[ . 1 . 2]" 1
759 1 59 GLU H 1 59 GLU HG2 . . 3.830 3.103 2.124 3.686 . 0 0 "[ . 1 . 2]" 1
760 1 59 GLU H 1 59 GLU HG3 . . 3.970 2.422 2.014 3.383 . 0 0 "[ . 1 . 2]" 1
761 1 59 GLU H 1 60 ARG H . . 3.630 2.714 2.493 2.836 . 0 0 "[ . 1 . 2]" 1
762 1 59 GLU H 1 62 ILE MD . . 5.140 4.304 3.964 5.202 0.062 9 0 "[ . 1 . 2]" 1
763 1 59 GLU HA 1 59 GLU HG3 . . 4.150 3.531 3.082 3.788 . 0 0 "[ . 1 . 2]" 1
764 1 59 GLU HA 1 60 ARG H . . 4.360 3.453 3.346 3.546 . 0 0 "[ . 1 . 2]" 1
765 1 59 GLU HA 1 62 ILE H . . 4.180 3.537 3.116 3.930 . 0 0 "[ . 1 . 2]" 1
766 1 59 GLU HA 1 62 ILE HB . . 3.750 2.680 2.294 3.119 . 0 0 "[ . 1 . 2]" 1
767 1 59 GLU HA 1 62 ILE MD . . 4.030 2.610 2.084 4.033 0.003 9 0 "[ . 1 . 2]" 1
768 1 59 GLU HA 1 62 ILE HG12 . . 4.990 4.403 2.569 5.034 0.044 14 0 "[ . 1 . 2]" 1
769 1 59 GLU HA 1 62 ILE MG . . 4.720 3.937 3.529 4.349 . 0 0 "[ . 1 . 2]" 1
770 1 59 GLU HA 1 63 GLN H . . 4.680 4.208 3.842 4.687 0.007 5 0 "[ . 1 . 2]" 1
771 1 59 GLU QB 1 60 ARG H . . 3.660 3.272 2.331 3.715 0.055 11 0 "[ . 1 . 2]" 1
772 1 59 GLU HG2 1 60 ARG H . . 5.050 4.276 2.863 5.077 0.027 15 0 "[ . 1 . 2]" 1
773 1 59 GLU HG3 1 60 ARG H . . 4.560 3.305 2.410 4.412 . 0 0 "[ . 1 . 2]" 1
774 1 60 ARG H 1 60 ARG QB . . 3.210 2.385 2.077 2.783 . 0 0 "[ . 1 . 2]" 1
775 1 60 ARG H 1 60 ARG HG2 . . 4.510 3.228 2.151 4.545 0.035 11 0 "[ . 1 . 2]" 1
776 1 60 ARG H 1 60 ARG HG3 . . 4.190 3.884 3.068 4.303 0.113 11 0 "[ . 1 . 2]" 1
777 1 60 ARG H 1 61 ILE H . . 3.870 2.649 2.484 2.838 . 0 0 "[ . 1 . 2]" 1
778 1 60 ARG HA 1 60 ARG HG2 . . 4.090 3.409 2.826 3.868 . 0 0 "[ . 1 . 2]" 1
779 1 60 ARG HA 1 60 ARG HG3 . . 4.200 3.291 2.427 3.802 . 0 0 "[ . 1 . 2]" 1
780 1 60 ARG HA 1 61 ILE H . . 4.830 3.527 3.470 3.561 . 0 0 "[ . 1 . 2]" 1
781 1 60 ARG HA 1 63 GLN H . . 4.450 3.696 3.314 4.472 0.022 3 0 "[ . 1 . 2]" 1
782 1 60 ARG HA 1 63 GLN HG2 . . 4.500 3.120 2.375 3.743 . 0 0 "[ . 1 . 2]" 1
783 1 60 ARG HA 1 63 GLN HG3 . . 4.360 3.484 2.757 4.045 . 0 0 "[ . 1 . 2]" 1
784 1 60 ARG QB 1 60 ARG HG2 . . 2.450 2.254 2.149 2.369 . 0 0 "[ . 1 . 2]" 1
785 1 60 ARG QB 1 61 ILE H . . 3.380 2.577 2.017 3.406 0.026 15 0 "[ . 1 . 2]" 1
786 1 60 ARG HG3 1 61 ILE H . . 5.500 4.521 2.199 5.159 . 0 0 "[ . 1 . 2]" 1
787 1 61 ILE H 1 61 ILE HB . . 3.650 3.629 3.594 3.663 0.013 7 0 "[ . 1 . 2]" 1
788 1 61 ILE H 1 61 ILE MD . . 4.120 3.525 3.453 3.648 . 0 0 "[ . 1 . 2]" 1
789 1 61 ILE H 1 61 ILE HG12 . . 3.690 1.822 1.749 1.951 . 0 0 "[ . 1 . 2]" 1
790 1 61 ILE H 1 61 ILE MG . . 4.140 2.615 2.475 2.998 . 0 0 "[ . 1 . 2]" 1
791 1 61 ILE H 1 62 ILE H . . 3.640 2.563 2.354 2.683 . 0 0 "[ . 1 . 2]" 1
792 1 61 ILE H 1 63 GLN H . . 5.130 4.208 4.077 4.558 . 0 0 "[ . 1 . 2]" 1
793 1 61 ILE HA 1 61 ILE MD . . 4.760 4.180 4.152 4.211 . 0 0 "[ . 1 . 2]" 1
794 1 61 ILE HA 1 61 ILE HG12 . . 4.250 3.618 3.596 3.638 . 0 0 "[ . 1 . 2]" 1
795 1 61 ILE HA 1 61 ILE HG13 . . 4.310 3.751 3.730 3.766 . 0 0 "[ . 1 . 2]" 1
796 1 61 ILE HA 1 62 ILE H . . 4.460 3.473 3.415 3.504 . 0 0 "[ . 1 . 2]" 1
797 1 61 ILE HA 1 64 ARG H . . 4.320 3.133 2.942 3.464 . 0 0 "[ . 1 . 2]" 1
798 1 61 ILE HA 1 65 LEU H . . 4.860 4.211 3.864 4.727 . 0 0 "[ . 1 . 2]" 1
799 1 61 ILE HB 1 61 ILE MD . . 3.610 2.476 2.437 2.513 . 0 0 "[ . 1 . 2]" 1
800 1 61 ILE HB 1 62 ILE H . . 3.620 3.688 3.622 3.736 0.116 13 0 "[ . 1 . 2]" 1
801 1 61 ILE MD 1 61 ILE MG . . 2.910 1.956 1.906 1.993 . 0 0 "[ . 1 . 2]" 1
802 1 61 ILE MD 1 62 ILE H . . 4.490 3.990 3.911 4.072 . 0 0 "[ . 1 . 2]" 1
803 1 61 ILE HG12 1 62 ILE H . . 4.880 3.017 2.830 3.278 . 0 0 "[ . 1 . 2]" 1
804 1 61 ILE MG 1 62 ILE H . . 4.260 4.161 4.067 4.278 0.018 11 0 "[ . 1 . 2]" 1
805 1 61 ILE MG 1 64 ARG H . . 5.320 4.857 4.703 5.135 . 0 0 "[ . 1 . 2]" 1
806 1 61 ILE MG 1 65 LEU H . . 5.500 5.411 5.101 5.558 0.058 15 0 "[ . 1 . 2]" 1
807 1 62 ILE H 1 62 ILE HB . . 3.290 2.554 2.365 2.672 . 0 0 "[ . 1 . 2]" 1
808 1 62 ILE H 1 62 ILE MD . . 4.040 3.652 3.111 3.760 . 0 0 "[ . 1 . 2]" 1
809 1 62 ILE H 1 62 ILE HG12 . . 3.390 3.300 2.270 3.448 0.058 16 0 "[ . 1 . 2]" 1
810 1 62 ILE H 1 62 ILE HG13 . . 4.010 2.385 2.182 3.764 . 0 0 "[ . 1 . 2]" 1
811 1 62 ILE H 1 62 ILE MG . . 4.210 3.807 3.718 3.856 . 0 0 "[ . 1 . 2]" 1
812 1 62 ILE H 1 63 GLN H . . 3.690 2.806 2.710 2.967 . 0 0 "[ . 1 . 2]" 1
813 1 62 ILE HA 1 62 ILE MD . . 4.530 3.650 2.055 3.867 . 0 0 "[ . 1 . 2]" 1
814 1 62 ILE HA 1 62 ILE HG12 . . 4.380 2.556 2.350 3.236 . 0 0 "[ . 1 . 2]" 1
815 1 62 ILE HA 1 62 ILE HG13 . . 3.880 3.098 2.901 3.792 . 0 0 "[ . 1 . 2]" 1
816 1 62 ILE HA 1 63 GLN H . . 4.660 3.540 3.497 3.587 . 0 0 "[ . 1 . 2]" 1
817 1 62 ILE HA 1 65 LEU H . . 4.290 3.466 3.259 3.623 . 0 0 "[ . 1 . 2]" 1
818 1 62 ILE HA 1 65 LEU HB2 . . 4.170 3.081 2.809 3.629 . 0 0 "[ . 1 . 2]" 1
819 1 62 ILE HA 1 65 LEU HB3 . . 4.840 4.668 3.311 4.857 0.017 9 0 "[ . 1 . 2]" 1
820 1 62 ILE HA 1 66 GLN H . . 4.710 4.136 4.043 4.259 . 0 0 "[ . 1 . 2]" 1
821 1 62 ILE HB 1 62 ILE MD . . 3.710 2.541 2.444 3.245 . 0 0 "[ . 1 . 2]" 1
822 1 62 ILE HB 1 63 GLN H . . 3.630 2.537 2.360 2.702 . 0 0 "[ . 1 . 2]" 1
823 1 62 ILE MD 1 62 ILE MG . . 2.850 1.902 1.856 2.090 . 0 0 "[ . 1 . 2]" 1
824 1 62 ILE MD 1 63 GLN H . . 4.800 4.604 4.502 4.758 . 0 0 "[ . 1 . 2]" 1
825 1 62 ILE HG13 1 62 ILE MG . . 3.680 3.111 2.267 3.208 . 0 0 "[ . 1 . 2]" 1
826 1 62 ILE MG 1 63 GLN H . . 4.090 3.233 3.078 3.400 . 0 0 "[ . 1 . 2]" 1
827 1 62 ILE MG 1 66 GLN HG2 . . 4.150 3.443 3.110 3.792 . 0 0 "[ . 1 . 2]" 1
828 1 62 ILE MG 1 66 GLN HG3 . . 4.720 2.387 2.079 2.670 . 0 0 "[ . 1 . 2]" 1
829 1 63 GLN H 1 63 GLN QB . . 3.230 2.530 2.403 2.715 . 0 0 "[ . 1 . 2]" 1
830 1 63 GLN H 1 63 GLN HG2 . . 3.720 2.174 1.931 2.322 . 0 0 "[ . 1 . 2]" 1
831 1 63 GLN H 1 63 GLN HG3 . . 4.150 3.571 3.133 3.728 . 0 0 "[ . 1 . 2]" 1
832 1 63 GLN H 1 64 ARG H . . 3.620 2.669 2.531 2.773 . 0 0 "[ . 1 . 2]" 1
833 1 63 GLN H 1 66 GLN H . . 4.550 4.589 4.515 4.630 0.080 5 0 "[ . 1 . 2]" 1
834 1 63 GLN HA 1 63 GLN HG2 . . 4.240 3.209 2.916 3.782 . 0 0 "[ . 1 . 2]" 1
835 1 63 GLN HA 1 63 GLN HG3 . . 4.060 3.771 3.685 3.931 . 0 0 "[ . 1 . 2]" 1
836 1 63 GLN HA 1 64 ARG H . . 4.300 3.489 3.424 3.559 . 0 0 "[ . 1 . 2]" 1
837 1 63 GLN HA 1 66 GLN H . . 4.230 3.275 3.034 3.457 . 0 0 "[ . 1 . 2]" 1
838 1 63 GLN HA 1 66 GLN HB2 . . 5.050 2.457 1.995 2.651 . 0 0 "[ . 1 . 2]" 1
839 1 63 GLN HA 1 66 GLN HB3 . . 4.680 4.081 3.597 4.317 . 0 0 "[ . 1 . 2]" 1
840 1 63 GLN HA 1 66 GLN HG2 . . 5.390 4.585 3.743 4.907 . 0 0 "[ . 1 . 2]" 1
841 1 63 GLN HA 1 66 GLN HG3 . . 5.140 3.178 2.248 3.477 . 0 0 "[ . 1 . 2]" 1
842 1 63 GLN HA 1 67 ARG H . . 4.820 4.289 3.611 4.910 0.090 7 0 "[ . 1 . 2]" 1
843 1 63 GLN QB 1 64 ARG H . . 3.170 2.624 2.413 3.345 0.175 11 0 "[ . 1 . 2]" 1
844 1 63 GLN HG2 1 64 ARG H . . 4.510 3.985 2.592 4.364 . 0 0 "[ . 1 . 2]" 1
845 1 63 GLN HG3 1 64 ARG H . . 4.810 4.454 2.192 4.903 0.093 16 0 "[ . 1 . 2]" 1
846 1 64 ARG H 1 64 ARG HB2 . . 4.150 2.455 2.241 2.672 . 0 0 "[ . 1 . 2]" 1
847 1 64 ARG H 1 64 ARG HB3 . . 3.480 2.957 2.450 3.579 0.099 16 0 "[ . 1 . 2]" 1
848 1 64 ARG H 1 64 ARG HG2 . . 4.390 3.866 2.125 4.438 0.048 10 0 "[ . 1 . 2]" 1
849 1 64 ARG H 1 65 LEU H . . 3.450 2.785 2.623 2.923 . 0 0 "[ . 1 . 2]" 1
850 1 64 ARG HA 1 64 ARG HD2 . . 4.360 3.956 2.601 4.495 0.135 7 0 "[ . 1 . 2]" 1
851 1 64 ARG HA 1 64 ARG HD3 . . 5.500 3.778 2.008 4.804 . 0 0 "[ . 1 . 2]" 1
852 1 64 ARG HA 1 64 ARG HG2 . . 4.260 2.943 2.415 3.721 . 0 0 "[ . 1 . 2]" 1
853 1 64 ARG HA 1 67 ARG H . . 4.330 3.759 3.471 4.274 . 0 0 "[ . 1 . 2]" 1
854 1 64 ARG HA 1 67 ARG QB . . 4.690 3.597 2.718 4.415 . 0 0 "[ . 1 . 2]" 1
855 1 64 ARG HB2 1 64 ARG HD2 . . 3.970 3.055 2.322 3.733 . 0 0 "[ . 1 . 2]" 1
856 1 64 ARG HB2 1 65 LEU H . . 4.730 3.375 2.475 3.993 . 0 0 "[ . 1 . 2]" 1
857 1 64 ARG HB3 1 64 ARG HD2 . . 3.800 2.819 2.308 3.762 . 0 0 "[ . 1 . 2]" 1
858 1 64 ARG HB3 1 65 LEU H . . 4.590 2.956 2.366 3.812 . 0 0 "[ . 1 . 2]" 1
859 1 65 LEU H 1 65 LEU HB2 . . 3.210 2.421 2.096 2.482 . 0 0 "[ . 1 . 2]" 1
860 1 65 LEU H 1 65 LEU HB3 . . 4.290 3.545 2.600 3.605 . 0 0 "[ . 1 . 2]" 1
861 1 65 LEU H 1 65 LEU MD1 . . 3.670 3.735 3.685 3.875 0.205 3 0 "[ . 1 . 2]" 1
862 1 65 LEU H 1 65 LEU HG . . 4.350 2.634 2.321 4.189 . 0 0 "[ . 1 . 2]" 1
863 1 65 LEU H 1 66 GLN H . . 3.500 2.560 2.426 2.689 . 0 0 "[ . 1 . 2]" 1
864 1 65 LEU H 1 67 ARG H . . 4.260 4.169 3.986 4.282 0.022 7 0 "[ . 1 . 2]" 1
865 1 65 LEU HA 1 65 LEU MD2 . . 3.250 2.089 1.966 2.767 . 0 0 "[ . 1 . 2]" 1
866 1 65 LEU HA 1 66 GLN H . . 4.380 3.508 3.476 3.552 . 0 0 "[ . 1 . 2]" 1
867 1 65 LEU HA 1 68 THR H . . 4.600 3.529 3.004 4.373 . 0 0 "[ . 1 . 2]" 1
868 1 65 LEU HB2 1 66 GLN H . . 3.670 2.924 2.567 3.689 0.019 3 0 "[ . 1 . 2]" 1
869 1 65 LEU HB3 1 65 LEU MD1 . . 3.560 2.311 2.278 2.350 . 0 0 "[ . 1 . 2]" 1
870 1 65 LEU HB3 1 65 LEU HG . . 3.030 2.987 2.415 3.024 . 0 0 "[ . 1 . 2]" 1
871 1 65 LEU HB3 1 66 GLN H . . 4.180 3.735 2.769 3.932 . 0 0 "[ . 1 . 2]" 1
872 1 65 LEU MD1 1 66 GLN H . . 5.010 4.760 4.573 4.959 . 0 0 "[ . 1 . 2]" 1
873 1 66 GLN H 1 66 GLN HB2 . . 3.390 2.505 2.412 2.584 . 0 0 "[ . 1 . 2]" 1
874 1 66 GLN H 1 66 GLN HB3 . . 4.360 3.651 3.600 3.684 . 0 0 "[ . 1 . 2]" 1
875 1 66 GLN H 1 66 GLN HG2 . . 3.550 3.520 3.434 3.577 0.027 17 0 "[ . 1 . 2]" 1
876 1 66 GLN H 1 66 GLN HG3 . . 4.010 2.426 2.293 2.578 . 0 0 "[ . 1 . 2]" 1
877 1 66 GLN H 1 67 ARG H . . 3.420 2.691 2.537 2.824 . 0 0 "[ . 1 . 2]" 1
878 1 66 GLN HA 1 66 GLN HG2 . . 4.260 2.436 2.289 2.602 . 0 0 "[ . 1 . 2]" 1
879 1 66 GLN HA 1 66 GLN HG3 . . 3.910 3.046 2.906 3.186 . 0 0 "[ . 1 . 2]" 1
880 1 66 GLN HA 1 67 ARG H . . 3.660 3.433 3.335 3.554 . 0 0 "[ . 1 . 2]" 1
881 1 66 GLN HA 1 68 THR H . . 4.230 3.986 3.335 4.293 0.063 14 0 "[ . 1 . 2]" 1
882 1 66 GLN HB2 1 67 ARG H . . 3.960 3.003 2.619 3.327 . 0 0 "[ . 1 . 2]" 1
883 1 66 GLN HB3 1 67 ARG H . . 4.080 3.818 3.536 4.082 0.002 16 0 "[ . 1 . 2]" 1
884 1 66 GLN HG2 1 67 ARG H . . 5.070 5.074 4.972 5.128 0.058 13 0 "[ . 1 . 2]" 1
885 1 66 GLN HG3 1 67 ARG H . . 5.140 4.554 4.338 4.813 . 0 0 "[ . 1 . 2]" 1
886 1 67 ARG H 1 67 ARG QB . . 3.120 2.492 1.974 2.694 . 0 0 "[ . 1 . 2]" 1
887 1 67 ARG H 1 67 ARG QD . . 5.000 3.861 3.245 4.532 . 0 0 "[ . 1 . 2]" 1
888 1 67 ARG H 1 67 ARG HG2 . . 3.810 2.665 2.190 3.954 0.144 10 0 "[ . 1 . 2]" 1
889 1 67 ARG H 1 67 ARG HG3 . . 4.130 3.396 2.157 4.218 0.088 10 0 "[ . 1 . 2]" 1
890 1 67 ARG H 1 68 THR H . . 3.300 2.659 2.397 2.938 . 0 0 "[ . 1 . 2]" 1
891 1 67 ARG HA 1 67 ARG QD . . 5.140 3.512 1.859 4.596 . 0 0 "[ . 1 . 2]" 1
892 1 67 ARG HA 1 67 ARG HG2 . . 4.140 3.291 2.271 4.179 0.039 11 0 "[ . 1 . 2]" 1
893 1 67 ARG HA 1 69 SER H . . 4.970 4.120 3.377 4.631 . 0 0 "[ . 1 . 2]" 1
894 1 67 ARG HA 1 70 ALA MB . . 3.350 2.758 2.319 3.439 0.089 2 0 "[ . 1 . 2]" 1
895 1 67 ARG QB 1 68 THR H . . 3.760 3.151 2.445 3.836 0.076 16 0 "[ . 1 . 2]" 1
896 1 67 ARG HG2 1 68 THR H . . 4.870 3.921 2.469 4.918 0.048 19 0 "[ . 1 . 2]" 1
897 1 68 THR H 1 68 THR HB . . 4.320 3.441 2.408 3.684 . 0 0 "[ . 1 . 2]" 1
898 1 68 THR H 1 68 THR MG . . 3.970 2.514 2.057 3.732 . 0 0 "[ . 1 . 2]" 1
899 1 68 THR H 1 69 SER H . . 3.370 2.332 2.205 2.485 . 0 0 "[ . 1 . 2]" 1
900 1 68 THR HA 1 68 THR HB . . 2.430 2.496 2.449 2.823 0.393 6 0 "[ . 1 . 2]" 1
901 1 68 THR HA 1 68 THR MG . . 3.750 2.449 2.240 3.243 . 0 0 "[ . 1 . 2]" 1
902 1 68 THR HA 1 69 SER H . . 3.280 3.370 3.320 3.426 0.146 15 0 "[ . 1 . 2]" 1
903 1 68 THR HB 1 69 SER H . . 4.700 3.818 2.793 4.238 . 0 0 "[ . 1 . 2]" 1
904 1 68 THR MG 1 69 SER H . . 4.310 3.828 2.566 4.203 . 0 0 "[ . 1 . 2]" 1
905 1 69 SER H 1 69 SER HB2 . . 4.260 2.691 2.352 3.647 . 0 0 "[ . 1 . 2]" 1
906 1 69 SER H 1 69 SER HB3 . . 3.420 2.794 2.460 3.547 0.127 15 0 "[ . 1 . 2]" 1
907 1 69 SER HA 1 70 ALA H . . 3.500 3.439 3.334 3.531 0.031 5 0 "[ . 1 . 2]" 1
908 1 69 SER HB3 1 70 ALA H . . 4.050 3.308 2.421 4.100 0.050 16 0 "[ . 1 . 2]" 1
909 1 70 ALA H 1 70 ALA MB . . 3.170 2.246 2.212 2.279 . 0 0 "[ . 1 . 2]" 1
910 1 70 ALA H 1 71 LYS H . . 3.510 2.541 2.297 2.702 . 0 0 "[ . 1 . 2]" 1
911 1 70 ALA HA 1 71 LYS H . . 4.020 3.455 3.365 3.582 . 0 0 "[ . 1 . 2]" 1
912 1 70 ALA MB 1 71 LYS H . . 3.550 2.755 2.116 3.013 . 0 0 "[ . 1 . 2]" 1
913 1 71 LYS H 1 71 LYS HB3 . . 3.440 2.870 2.412 3.544 0.104 3 0 "[ . 1 . 2]" 1
914 1 71 LYS HA 1 71 LYS QD . . 4.990 3.930 2.077 4.557 . 0 0 "[ . 1 . 2]" 1
915 1 71 LYS HA 1 71 LYS QE . . 5.500 4.457 3.687 5.461 . 0 0 "[ . 1 . 2]" 1
916 1 71 LYS HA 1 72 MET H . . 3.490 2.632 1.949 3.510 0.020 9 0 "[ . 1 . 2]" 1
917 1 71 LYS HB2 1 72 MET H . . 4.180 3.796 2.687 4.294 0.114 6 0 "[ . 1 . 2]" 1
918 1 71 LYS HB3 1 71 LYS QD . . 3.400 2.707 2.367 3.317 . 0 0 "[ . 1 . 2]" 1
919 1 71 LYS HB3 1 71 LYS QE . . 5.110 3.109 1.989 4.289 . 0 0 "[ . 1 . 2]" 1
920 1 72 MET H 1 72 MET HB3 . . 3.360 2.886 2.366 3.491 0.131 2 0 "[ . 1 . 2]" 1
921 1 72 MET HA 1 73 LYS H . . 3.320 2.390 2.034 3.363 0.043 14 0 "[ . 1 . 2]" 1
922 1 72 MET HB2 1 72 MET HG2 . . 2.920 2.758 2.384 2.979 0.059 8 0 "[ . 1 . 2]" 1
923 1 72 MET HB3 1 73 LYS H . . 4.350 3.948 3.007 4.401 0.051 8 0 "[ . 1 . 2]" 1
924 1 73 LYS H 1 73 LYS QG . . 4.380 3.456 2.033 4.245 . 0 0 "[ . 1 . 2]" 1
925 1 73 LYS HA 1 73 LYS QD . . 5.130 3.626 2.051 4.533 . 0 0 "[ . 1 . 2]" 1
926 1 73 LYS HA 1 73 LYS QE . . 5.500 4.253 1.868 4.883 . 0 0 "[ . 1 . 2]" 1
927 1 73 LYS HA 1 74 ARG H . . 3.440 2.510 2.039 3.490 0.050 6 0 "[ . 1 . 2]" 1
928 1 73 LYS QB 1 74 ARG H . . 5.500 3.529 1.991 3.998 . 0 0 "[ . 1 . 2]" 1
929 1 74 ARG H 1 74 ARG QG . . 4.500 3.184 2.079 4.514 0.014 17 0 "[ . 1 . 2]" 1
930 1 74 ARG HA 1 75 ARG H . . 3.570 2.697 2.117 3.541 . 0 0 "[ . 1 . 2]" 1
931 1 74 ARG QB 1 75 ARG H . . 4.210 3.074 2.161 4.055 . 0 0 "[ . 1 . 2]" 1
932 1 74 ARG QG 1 75 ARG H . . 4.570 3.603 2.755 4.409 . 0 0 "[ . 1 . 2]" 1
933 1 75 ARG HA 1 76 SER H . . 4.010 2.536 2.094 3.571 . 0 0 "[ . 1 . 2]" 1
934 1 76 SER HA 1 77 SER H . . 4.380 2.660 2.133 3.502 . 0 0 "[ . 1 . 2]" 1
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save_