NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
394290 |
1r63   |
2539 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r63
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 681
_Distance_constraint_stats_list.Viol_count 1380
_Distance_constraint_stats_list.Viol_total 1633.848
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0592
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 2.285 0.096 8 0 "[ . 1 . 2]"
1 3 SER 2.624 0.096 8 0 "[ . 1 . 2]"
1 4 SER 1.635 0.101 6 0 "[ . 1 . 2]"
1 5 ARG 8.269 0.101 6 0 "[ . 1 . 2]"
1 6 VAL 1.703 0.087 5 0 "[ . 1 . 2]"
1 7 LYS 1.409 0.075 15 0 "[ . 1 . 2]"
1 8 SER 2.879 0.084 11 0 "[ . 1 . 2]"
1 9 LYS 2.851 0.087 5 0 "[ . 1 . 2]"
1 10 ARG 4.201 0.101 18 0 "[ . 1 . 2]"
1 11 ILE 3.990 0.086 7 0 "[ . 1 . 2]"
1 12 GLN 0.136 0.064 14 0 "[ . 1 . 2]"
1 13 LEU 1.756 0.078 13 0 "[ . 1 . 2]"
1 14 GLY 2.428 0.096 12 0 "[ . 1 . 2]"
1 15 LEU 3.904 0.096 12 0 "[ . 1 . 2]"
1 16 ASN 4.650 0.104 15 0 "[ . 1 . 2]"
1 17 GLN 6.936 0.100 18 0 "[ . 1 . 2]"
1 18 ALA 1.708 0.100 13 0 "[ . 1 . 2]"
1 19 GLU 1.172 0.075 1 0 "[ . 1 . 2]"
1 20 LEU 1.156 0.093 1 0 "[ . 1 . 2]"
1 21 ALA 2.213 0.091 16 0 "[ . 1 . 2]"
1 22 GLN 0.400 0.065 16 0 "[ . 1 . 2]"
1 23 LYS 3.508 0.078 16 0 "[ . 1 . 2]"
1 24 VAL 4.495 0.089 2 0 "[ . 1 . 2]"
1 25 GLY 0.529 0.049 2 0 "[ . 1 . 2]"
1 26 THR 1.490 0.086 11 0 "[ . 1 . 2]"
1 27 THR 2.713 0.086 11 0 "[ . 1 . 2]"
1 28 GLN 1.924 0.083 10 0 "[ . 1 . 2]"
1 29 GLN 2.101 0.099 17 0 "[ . 1 . 2]"
1 30 SER 2.822 0.088 1 0 "[ . 1 . 2]"
1 31 ILE 0.244 0.061 9 0 "[ . 1 . 2]"
1 32 GLU 0.136 0.057 14 0 "[ . 1 . 2]"
1 33 GLN 0.974 0.077 12 0 "[ . 1 . 2]"
1 34 LEU 3.938 0.092 7 0 "[ . 1 . 2]"
1 35 GLU 2.519 0.084 4 0 "[ . 1 . 2]"
1 36 ASN 2.616 0.085 17 0 "[ . 1 . 2]"
1 37 GLY 1.879 0.085 17 0 "[ . 1 . 2]"
1 38 LYS 4.089 0.108 18 0 "[ . 1 . 2]"
1 39 THR 2.949 0.100 11 0 "[ . 1 . 2]"
1 40 LYS 2.453 0.083 13 0 "[ . 1 . 2]"
1 41 ARG 1.882 0.077 4 0 "[ . 1 . 2]"
1 42 PRO 0.163 0.067 6 0 "[ . 1 . 2]"
1 43 ARG 0.037 0.019 14 0 "[ . 1 . 2]"
1 44 PHE 0.999 0.079 15 0 "[ . 1 . 2]"
1 45 LEU 0.545 0.074 16 0 "[ . 1 . 2]"
1 46 PRO 0.370 0.063 12 0 "[ . 1 . 2]"
1 47 GLU 1.666 0.083 5 0 "[ . 1 . 2]"
1 48 LEU 0.960 0.074 16 0 "[ . 1 . 2]"
1 49 ALA 0.445 0.057 13 0 "[ . 1 . 2]"
1 50 SER 2.649 0.083 5 0 "[ . 1 . 2]"
1 51 ALA 1.893 0.073 8 0 "[ . 1 . 2]"
1 52 LEU 1.204 0.083 7 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 1.864 0.087 13 0 "[ . 1 . 2]"
1 55 SER 1.700 0.092 8 0 "[ . 1 . 2]"
1 56 VAL 0.371 0.082 8 0 "[ . 1 . 2]"
1 57 ASP 1.582 0.083 16 0 "[ . 1 . 2]"
1 58 TRP 3.667 0.091 1 0 "[ . 1 . 2]"
1 59 LEU 3.716 0.097 19 0 "[ . 1 . 2]"
1 60 LEU 2.429 0.083 19 0 "[ . 1 . 2]"
1 61 ASN 2.203 0.100 18 0 "[ . 1 . 2]"
1 62 GLY 1.481 0.085 18 0 "[ . 1 . 2]"
1 63 THR 2.045 0.083 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 1 SER QB 1 2 ILE H . . 3.580 2.414 1.986 2.951 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 3 SER H . . 4.180 3.223 2.564 3.835 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE HB . . 3.000 2.223 1.946 3.063 0.063 2 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE QG . . 4.880 3.865 3.545 4.214 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE MG . . 3.500 2.709 2.467 2.872 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 3 SER H . . 3.300 2.512 2.019 3.280 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE HA 1 2 ILE QG . . 4.000 2.234 2.062 2.564 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE HA 1 3 SER H . . 3.600 3.497 3.416 3.570 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE HA 1 5 ARG HE . . 4.000 3.517 2.047 4.088 0.088 19 0 "[ . 1 . 2]" 1
10 1 2 ILE HA 1 6 VAL H . . 4.600 4.264 3.653 4.679 0.079 15 0 "[ . 1 . 2]" 1
11 1 2 ILE HB 1 3 SER H . . 3.300 3.371 3.233 3.396 0.096 8 0 "[ . 1 . 2]" 1
12 1 2 ILE QG 1 3 SER HA . . 6.000 4.797 4.043 5.460 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE QG 1 37 GLY QA . . 6.680 4.954 4.193 5.360 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE MG 1 3 SER H . . 3.600 1.969 1.761 2.536 . 0 0 "[ . 1 . 2]" 1
15 1 3 SER H 1 3 SER HB2 . . 3.400 3.208 2.493 3.492 0.092 8 0 "[ . 1 . 2]" 1
16 1 3 SER H 1 3 SER QB . . 3.130 2.333 2.073 2.668 . 0 0 "[ . 1 . 2]" 1
17 1 3 SER H 1 3 SER HB3 . . 3.400 2.428 2.119 2.772 . 0 0 "[ . 1 . 2]" 1
18 1 3 SER HA 1 6 VAL H . . 4.200 3.666 3.150 4.263 0.063 17 0 "[ . 1 . 2]" 1
19 1 3 SER HA 1 6 VAL HB . . 3.700 2.915 2.229 3.763 0.063 17 0 "[ . 1 . 2]" 1
20 1 3 SER HA 1 6 VAL QG . . 5.600 3.362 2.705 4.128 . 0 0 "[ . 1 . 2]" 1
21 1 3 SER HA 1 7 LYS H . . 4.000 3.836 3.430 4.055 0.055 17 0 "[ . 1 . 2]" 1
22 1 3 SER QB 1 37 GLY H . . 4.080 3.348 2.718 3.776 . 0 0 "[ . 1 . 2]" 1
23 1 4 SER H 1 4 SER HB2 . . 3.600 2.722 2.155 3.549 . 0 0 "[ . 1 . 2]" 1
24 1 4 SER H 1 4 SER QB . . 3.290 2.301 2.121 2.567 . 0 0 "[ . 1 . 2]" 1
25 1 4 SER H 1 4 SER HB3 . . 3.600 2.817 2.430 3.541 . 0 0 "[ . 1 . 2]" 1
26 1 4 SER H 1 5 ARG H . . 3.000 2.959 2.685 3.070 0.070 10 0 "[ . 1 . 2]" 1
27 1 4 SER HA 1 7 LYS H . . 4.300 3.953 3.592 4.366 0.066 12 0 "[ . 1 . 2]" 1
28 1 4 SER QB 1 5 ARG H . . 3.390 2.687 2.207 3.128 . 0 0 "[ . 1 . 2]" 1
29 1 4 SER HB2 1 5 ARG H . . 3.700 3.401 2.664 3.775 0.075 9 0 "[ . 1 . 2]" 1
30 1 4 SER HB3 1 5 ARG H . . 3.700 3.032 2.224 3.801 0.101 6 0 "[ . 1 . 2]" 1
31 1 5 ARG H 1 5 ARG HB2 . . 2.900 2.620 2.355 2.979 0.079 10 0 "[ . 1 . 2]" 1
32 1 5 ARG H 1 5 ARG HB3 . . 3.500 3.572 3.532 3.597 0.097 6 0 "[ . 1 . 2]" 1
33 1 5 ARG H 1 5 ARG QD . . 6.000 3.493 1.948 4.496 . 0 0 "[ . 1 . 2]" 1
34 1 5 ARG H 1 5 ARG HG2 . . 3.900 3.506 2.344 3.976 0.076 17 0 "[ . 1 . 2]" 1
35 1 5 ARG H 1 5 ARG QG . . 3.550 2.379 1.949 2.942 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG H 1 5 ARG HG3 . . 3.900 2.429 1.987 3.032 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG H 1 6 VAL H . . 3.100 2.838 2.545 3.128 0.028 6 0 "[ . 1 . 2]" 1
38 1 5 ARG HA 1 5 ARG HB2 . . 2.900 2.980 2.890 2.991 0.091 15 0 "[ . 1 . 2]" 1
39 1 5 ARG HA 1 5 ARG HB3 . . 2.800 2.367 2.189 2.534 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG HA 1 5 ARG QG . . 3.560 2.380 2.160 2.862 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG HA 1 58 TRP HH2 . . 3.600 3.221 2.753 3.664 0.064 7 0 "[ . 1 . 2]" 1
42 1 5 ARG HB2 1 6 VAL H . . 3.300 2.491 2.301 2.694 . 0 0 "[ . 1 . 2]" 1
43 1 5 ARG HB2 1 58 TRP HZ3 . . 3.600 3.679 3.658 3.691 0.091 1 0 "[ . 1 . 2]" 1
44 1 5 ARG HB3 1 5 ARG HE . . 5.000 3.653 2.525 4.707 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG HB3 1 6 VAL H . . 4.000 3.499 3.135 4.018 0.018 10 0 "[ . 1 . 2]" 1
46 1 5 ARG HB3 1 58 TRP HH2 . . 4.600 2.504 2.234 3.035 . 0 0 "[ . 1 . 2]" 1
47 1 5 ARG HB3 1 58 TRP HZ3 . . 4.000 2.747 2.145 4.061 0.061 10 0 "[ . 1 . 2]" 1
48 1 5 ARG HE 1 5 ARG QG . . 3.840 2.966 2.401 3.353 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG HE 1 59 LEU HA . . 3.400 3.262 2.497 3.497 0.097 19 0 "[ . 1 . 2]" 1
50 1 5 ARG HE 1 62 GLY QA . . 4.580 3.209 2.123 4.200 . 0 0 "[ . 1 . 2]" 1
51 1 5 ARG QG 1 6 VAL H . . 5.880 4.109 3.468 4.455 . 0 0 "[ . 1 . 2]" 1
52 1 5 ARG QG 1 58 TRP HE1 . . 6.000 5.002 4.204 5.483 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG QG 1 58 TRP HH2 . . 5.380 3.469 2.432 4.662 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG QG 1 58 TRP HZ2 . . 5.880 3.555 2.927 4.427 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL H 1 6 VAL HB . . 2.600 2.437 2.276 2.676 0.076 7 0 "[ . 1 . 2]" 1
56 1 6 VAL H 1 7 LYS H . . 3.100 2.818 2.662 2.972 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL H 1 59 LEU MD2 . . 5.000 3.971 3.390 4.255 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL HA 1 9 LYS H . . 3.800 3.713 3.458 3.880 0.080 1 0 "[ . 1 . 2]" 1
59 1 6 VAL HA 1 9 LYS HB2 . . 4.300 3.098 2.573 3.942 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL HA 1 9 LYS QB . . 3.820 2.924 2.550 3.526 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL HA 1 9 LYS HB3 . . 4.300 4.073 3.195 4.387 0.087 5 0 "[ . 1 . 2]" 1
62 1 6 VAL HA 1 10 ARG H . . 4.200 4.071 3.677 4.281 0.081 4 0 "[ . 1 . 2]" 1
63 1 6 VAL HA 1 48 LEU QD . . 6.500 3.962 3.273 4.535 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL HB 1 7 LYS H . . 3.700 2.542 2.219 3.047 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL QG 1 7 LYS H . . 5.400 3.098 2.850 3.338 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL QG 1 7 LYS HA . . 6.300 3.394 3.123 3.802 . 0 0 "[ . 1 . 2]" 1
67 1 6 VAL QG 1 10 ARG H . . 7.400 4.127 3.809 4.728 . 0 0 "[ . 1 . 2]" 1
68 1 6 VAL QG 1 35 GLU H . . 5.700 3.700 3.160 4.242 . 0 0 "[ . 1 . 2]" 1
69 1 6 VAL QG 1 58 TRP HZ3 . . 7.300 3.971 2.826 4.514 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL QG 1 59 LEU HA . . 6.600 4.107 3.683 4.281 . 0 0 "[ . 1 . 2]" 1
71 1 7 LYS H 1 7 LYS HB2 . . 3.400 2.383 2.190 2.690 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS H 1 7 LYS HB3 . . 3.000 2.594 2.322 2.948 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS H 1 8 SER H . . 3.100 2.856 2.593 2.998 . 0 0 "[ . 1 . 2]" 1
74 1 7 LYS HA 1 7 LYS QG . . 4.000 2.610 2.167 3.181 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 8 SER H . . 3.600 3.591 3.536 3.639 0.039 1 0 "[ . 1 . 2]" 1
76 1 7 LYS HA 1 10 ARG HE . . 5.000 3.674 3.349 4.516 . 0 0 "[ . 1 . 2]" 1
77 1 7 LYS HB2 1 8 SER H . . 3.600 3.636 3.477 3.675 0.075 15 0 "[ . 1 . 2]" 1
78 1 7 LYS HB3 1 8 SER H . . 3.100 2.291 2.160 2.639 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS QE 1 11 ILE MD . . 6.780 3.299 2.024 4.980 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS QG 1 8 SER H . . 6.000 3.530 2.972 4.453 . 0 0 "[ . 1 . 2]" 1
81 1 8 SER H 1 8 SER HA . . 2.900 2.799 2.735 2.866 . 0 0 "[ . 1 . 2]" 1
82 1 8 SER H 1 8 SER QB . . 3.500 2.490 2.163 2.664 . 0 0 "[ . 1 . 2]" 1
83 1 8 SER H 1 9 LYS H . . 3.100 2.869 2.684 3.026 . 0 0 "[ . 1 . 2]" 1
84 1 8 SER HA 1 9 LYS H . . 3.500 3.573 3.557 3.584 0.084 11 0 "[ . 1 . 2]" 1
85 1 8 SER HA 1 11 ILE H . . 3.700 3.526 3.193 3.763 0.063 5 0 "[ . 1 . 2]" 1
86 1 8 SER QB 1 9 LYS H . . 4.400 2.905 2.255 3.627 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS H 1 9 LYS HB2 . . 3.600 2.266 2.099 2.419 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS H 1 9 LYS QB . . 3.200 2.219 2.078 2.310 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS H 1 9 LYS HB3 . . 3.600 3.301 2.671 3.596 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS H 1 9 LYS HG2 . . 5.000 3.420 2.389 4.629 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS H 1 9 LYS QG . . 4.400 3.132 2.309 4.066 . 0 0 "[ . 1 . 2]" 1
92 1 9 LYS H 1 9 LYS HG3 . . 5.000 3.814 2.696 4.668 . 0 0 "[ . 1 . 2]" 1
93 1 9 LYS H 1 10 ARG H . . 2.700 2.668 2.515 2.774 0.074 10 0 "[ . 1 . 2]" 1
94 1 9 LYS H 1 52 LEU MD1 . . 5.300 4.235 4.127 4.305 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS H 1 52 LEU MD2 . . 5.300 4.142 3.660 4.312 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS H 1 58 TRP HH2 . . 4.900 4.163 3.413 4.939 0.039 18 0 "[ . 1 . 2]" 1
97 1 9 LYS HA 1 9 LYS HG2 . . 3.900 2.854 2.219 3.718 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS HA 1 9 LYS QG . . 3.600 2.523 2.193 2.976 . 0 0 "[ . 1 . 2]" 1
99 1 9 LYS HA 1 9 LYS HG3 . . 3.900 3.338 2.609 3.704 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS HA 1 12 GLN H . . 3.400 3.107 2.814 3.427 0.027 4 0 "[ . 1 . 2]" 1
101 1 9 LYS HA 1 12 GLN QB . . 3.800 2.388 2.111 3.290 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS QB 1 52 LEU MD2 . . 3.800 2.174 1.897 2.625 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS QB 1 58 TRP HH2 . . 4.530 3.341 2.217 4.136 . 0 0 "[ . 1 . 2]" 1
104 1 9 LYS QB 1 58 TRP HZ3 . . 5.880 3.590 2.644 4.156 . 0 0 "[ . 1 . 2]" 1
105 1 9 LYS HB2 1 52 LEU MD2 . . 4.000 2.887 2.473 3.248 . 0 0 "[ . 1 . 2]" 1
106 1 9 LYS HB2 1 58 TRP HH2 . . 5.000 3.503 2.231 4.483 . 0 0 "[ . 1 . 2]" 1
107 1 9 LYS HB3 1 52 LEU MD2 . . 4.000 2.381 1.910 3.217 . 0 0 "[ . 1 . 2]" 1
108 1 9 LYS HB3 1 58 TRP HH2 . . 5.000 4.486 3.772 4.986 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS QD 1 58 TRP HZ3 . . 4.900 3.786 2.605 4.437 . 0 0 "[ . 1 . 2]" 1
110 1 9 LYS HE2 1 54 VAL MG1 . . 4.200 2.676 1.939 3.647 . 0 0 "[ . 1 . 2]" 1
111 1 9 LYS HE3 1 9 LYS QG . . 3.860 2.862 2.239 3.407 . 0 0 "[ . 1 . 2]" 1
112 1 9 LYS HE3 1 13 LEU MD1 . . 6.000 4.454 2.912 5.109 . 0 0 "[ . 1 . 2]" 1
113 1 9 LYS HE3 1 54 VAL MG1 . . 3.800 2.785 2.003 3.321 . 0 0 "[ . 1 . 2]" 1
114 1 9 LYS QG 1 54 VAL MG1 . . 4.880 2.770 2.024 3.707 . 0 0 "[ . 1 . 2]" 1
115 1 9 LYS QG 1 58 TRP HH2 . . 4.880 2.565 2.014 4.140 . 0 0 "[ . 1 . 2]" 1
116 1 9 LYS QG 1 58 TRP HZ3 . . 4.780 2.983 2.244 4.071 . 0 0 "[ . 1 . 2]" 1
117 1 10 ARG H 1 10 ARG HB2 . . 3.200 2.304 1.892 2.683 . 0 0 "[ . 1 . 2]" 1
118 1 10 ARG H 1 10 ARG HB3 . . 3.200 2.610 2.328 2.971 . 0 0 "[ . 1 . 2]" 1
119 1 10 ARG H 1 10 ARG QD . . 6.000 4.567 3.646 5.000 . 0 0 "[ . 1 . 2]" 1
120 1 10 ARG H 1 10 ARG HE . . 5.000 5.083 5.060 5.101 0.101 18 0 "[ . 1 . 2]" 1
121 1 10 ARG H 1 10 ARG HG2 . . 5.000 4.402 4.271 4.618 . 0 0 "[ . 1 . 2]" 1
122 1 10 ARG H 1 10 ARG QG . . 4.490 3.845 3.625 4.005 . 0 0 "[ . 1 . 2]" 1
123 1 10 ARG H 1 10 ARG HG3 . . 5.000 4.262 3.880 4.582 . 0 0 "[ . 1 . 2]" 1
124 1 10 ARG H 1 11 ILE H . . 3.300 2.697 2.432 2.955 . 0 0 "[ . 1 . 2]" 1
125 1 10 ARG H 1 52 LEU MD1 . . 5.700 3.713 2.901 4.453 . 0 0 "[ . 1 . 2]" 1
126 1 10 ARG H 1 52 LEU MD2 . . 4.600 2.938 2.606 3.300 . 0 0 "[ . 1 . 2]" 1
127 1 10 ARG HA 1 10 ARG QG . . 3.690 2.311 2.138 2.475 . 0 0 "[ . 1 . 2]" 1
128 1 10 ARG HA 1 13 LEU H . . 4.300 3.624 3.299 4.076 . 0 0 "[ . 1 . 2]" 1
129 1 10 ARG HA 1 13 LEU HB2 . . 4.100 2.871 2.428 3.543 . 0 0 "[ . 1 . 2]" 1
130 1 10 ARG HA 1 13 LEU MD1 . . 6.000 3.979 2.302 5.120 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG HA 1 20 LEU QD . . 7.570 3.451 2.459 4.252 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG HA 1 52 LEU MD2 . . 3.600 2.792 2.160 3.142 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG HB2 1 10 ARG HE . . 5.000 3.305 2.975 3.673 . 0 0 "[ . 1 . 2]" 1
134 1 10 ARG HB3 1 11 ILE H . . 3.200 2.591 2.434 2.912 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG QD 1 16 ASN HA . . 6.000 2.990 2.085 4.705 . 0 0 "[ . 1 . 2]" 1
136 1 10 ARG QD 1 17 GLN H . . 6.000 3.120 2.317 4.107 . 0 0 "[ . 1 . 2]" 1
137 1 10 ARG QD 1 17 GLN HA . . 5.700 2.424 2.035 3.712 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG HE 1 17 GLN HA . . 5.000 3.467 3.032 4.042 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG HE 1 17 GLN HB2 . . 4.100 4.188 4.169 4.200 0.100 18 0 "[ . 1 . 2]" 1
140 1 10 ARG HE 1 17 GLN HG2 . . 4.300 3.223 2.286 4.370 0.070 2 0 "[ . 1 . 2]" 1
141 1 10 ARG HE 1 17 GLN QG . . 4.110 2.232 1.839 2.835 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG HE 1 17 GLN HG3 . . 4.300 2.298 1.887 2.988 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG HE 1 31 ILE MG . . 5.000 3.913 3.305 4.276 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG QG 1 17 GLN HA . . 5.880 3.685 2.413 4.131 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE H 1 11 ILE HB . . 2.600 2.308 2.069 2.534 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE H 1 11 ILE MD . . 4.700 2.827 2.142 3.749 . 0 0 "[ . 1 . 2]" 1
147 1 11 ILE H 1 11 ILE QG . . 4.780 2.938 2.107 3.591 . 0 0 "[ . 1 . 2]" 1
148 1 11 ILE H 1 11 ILE MG . . 4.600 3.717 3.534 3.812 . 0 0 "[ . 1 . 2]" 1
149 1 11 ILE H 1 13 LEU H . . 4.200 4.228 3.961 4.275 0.075 17 0 "[ . 1 . 2]" 1
150 1 11 ILE HA 1 11 ILE HB . . 2.900 2.979 2.968 2.986 0.086 7 0 "[ . 1 . 2]" 1
151 1 11 ILE HA 1 11 ILE MD . . 4.100 2.618 2.132 3.577 . 0 0 "[ . 1 . 2]" 1
152 1 11 ILE HA 1 11 ILE QG . . 3.890 2.517 2.083 3.113 . 0 0 "[ . 1 . 2]" 1
153 1 11 ILE HA 1 14 GLY H . . 3.200 3.114 2.730 3.280 0.080 20 0 "[ . 1 . 2]" 1
154 1 11 ILE HA 1 15 LEU H . . 4.100 3.968 3.433 4.174 0.074 15 0 "[ . 1 . 2]" 1
155 1 11 ILE HB 1 12 GLN H . . 3.000 2.809 2.469 3.064 0.064 14 0 "[ . 1 . 2]" 1
156 1 11 ILE MG 1 12 GLN H . . 4.500 3.209 2.714 3.701 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLN H 1 12 GLN HA . . 2.900 2.830 2.778 2.891 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLN H 1 12 GLN QB . . 3.300 2.291 2.051 2.529 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN H 1 13 LEU H . . 3.100 2.789 2.656 2.924 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLN H 1 14 GLY H . . 4.200 3.921 3.566 4.221 0.021 4 0 "[ . 1 . 2]" 1
161 1 12 GLN QB 1 13 LEU H . . 4.400 2.730 2.385 3.630 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU H 1 13 LEU HB2 . . 2.900 2.288 2.151 2.399 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU H 1 13 LEU HB3 . . 3.500 3.540 3.465 3.578 0.078 13 0 "[ . 1 . 2]" 1
164 1 13 LEU H 1 13 LEU MD2 . . 5.300 3.326 2.139 4.111 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU H 1 14 GLY H . . 2.900 2.584 2.494 2.692 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU HB2 1 14 GLY H . . 3.800 2.900 2.231 3.475 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU HB2 1 15 LEU H . . 5.000 3.127 2.474 3.838 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU HB3 1 14 GLY H . . 5.000 3.548 3.040 4.003 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU MD1 1 52 LEU HA . . 4.200 2.967 2.155 3.453 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU MD2 1 14 GLY H . . 6.000 4.625 3.845 5.015 . 0 0 "[ . 1 . 2]" 1
171 1 14 GLY H 1 15 LEU H . . 3.000 2.268 1.811 2.459 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLY H 1 15 LEU HG . . 5.000 4.344 3.545 5.056 0.056 7 0 "[ . 1 . 2]" 1
173 1 14 GLY HA2 1 15 LEU H . . 3.300 2.898 2.402 3.382 0.082 15 0 "[ . 1 . 2]" 1
174 1 14 GLY HA3 1 15 LEU H . . 3.300 3.359 2.868 3.396 0.096 12 0 "[ . 1 . 2]" 1
175 1 15 LEU H 1 15 LEU HB2 . . 3.200 2.466 2.373 2.602 . 0 0 "[ . 1 . 2]" 1
176 1 15 LEU H 1 15 LEU HB3 . . 3.600 3.651 3.561 3.685 0.085 3 0 "[ . 1 . 2]" 1
177 1 15 LEU H 1 15 LEU HG . . 3.700 2.899 2.128 3.514 . 0 0 "[ . 1 . 2]" 1
178 1 15 LEU HA 1 15 LEU HB3 . . 2.900 2.510 2.455 2.575 . 0 0 "[ . 1 . 2]" 1
179 1 15 LEU HA 1 15 LEU HG . . 4.100 3.105 2.866 3.259 . 0 0 "[ . 1 . 2]" 1
180 1 15 LEU HA 1 19 GLU HB2 . . 4.300 3.555 2.881 4.371 0.071 20 0 "[ . 1 . 2]" 1
181 1 15 LEU HA 1 19 GLU QB . . 3.910 3.322 2.795 3.622 . 0 0 "[ . 1 . 2]" 1
182 1 15 LEU HA 1 19 GLU HB3 . . 4.300 4.085 3.648 4.375 0.075 1 0 "[ . 1 . 2]" 1
183 1 15 LEU HB2 1 16 ASN H . . 5.000 4.045 3.203 4.397 . 0 0 "[ . 1 . 2]" 1
184 1 15 LEU HB2 1 20 LEU H . . 5.000 4.366 3.957 5.055 0.055 10 0 "[ . 1 . 2]" 1
185 1 15 LEU HB3 1 16 ASN H . . 3.500 3.020 2.028 3.568 0.068 20 0 "[ . 1 . 2]" 1
186 1 15 LEU HB3 1 20 LEU H . . 5.000 3.219 2.623 3.806 . 0 0 "[ . 1 . 2]" 1
187 1 15 LEU QD 1 16 ASN H . . 7.300 3.490 2.984 3.731 . 0 0 "[ . 1 . 2]" 1
188 1 15 LEU MD1 1 20 LEU HA . . 6.000 3.083 2.170 4.256 . 0 0 "[ . 1 . 2]" 1
189 1 15 LEU MD1 1 20 LEU HB2 . . 6.000 3.589 2.769 4.854 . 0 0 "[ . 1 . 2]" 1
190 1 15 LEU MD1 1 23 LYS HE2 . . 4.900 3.269 2.030 4.201 . 0 0 "[ . 1 . 2]" 1
191 1 15 LEU MD1 1 23 LYS HE3 . . 4.900 3.264 1.996 4.154 . 0 0 "[ . 1 . 2]" 1
192 1 15 LEU MD2 1 19 GLU QB . . 6.880 2.347 2.063 3.667 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASN H 1 16 ASN HB2 . . 4.200 3.461 2.286 3.854 . 0 0 "[ . 1 . 2]" 1
194 1 16 ASN H 1 16 ASN QB . . 3.810 2.713 2.261 3.334 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASN H 1 16 ASN HB3 . . 4.200 3.042 2.543 3.715 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASN H 1 16 ASN HD21 . . 5.000 2.892 1.792 4.631 . 0 0 "[ . 1 . 2]" 1
197 1 16 ASN H 1 17 GLN H . . 4.400 4.448 4.272 4.482 0.082 14 0 "[ . 1 . 2]" 1
198 1 16 ASN H 1 19 GLU H . . 4.000 3.797 3.174 4.068 0.068 7 0 "[ . 1 . 2]" 1
199 1 16 ASN H 1 19 GLU QB . . 3.880 2.544 1.987 3.103 . 0 0 "[ . 1 . 2]" 1
200 1 16 ASN H 1 19 GLU QG . . 5.180 3.536 2.626 4.573 . 0 0 "[ . 1 . 2]" 1
201 1 16 ASN HA 1 16 ASN QB . . 2.750 2.156 1.975 2.423 . 0 0 "[ . 1 . 2]" 1
202 1 16 ASN HA 1 16 ASN HD22 . . 5.000 4.977 4.503 5.104 0.104 15 0 "[ . 1 . 2]" 1
203 1 16 ASN HA 1 17 GLN H . . 2.900 2.400 2.217 2.663 . 0 0 "[ . 1 . 2]" 1
204 1 16 ASN QB 1 17 GLN H . . 3.180 2.149 1.963 2.466 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASN QB 1 19 GLU H . . 5.880 3.728 1.915 4.754 . 0 0 "[ . 1 . 2]" 1
206 1 16 ASN HB2 1 17 GLN H . . 3.400 2.393 1.973 3.470 0.070 18 0 "[ . 1 . 2]" 1
207 1 16 ASN HB3 1 17 GLN H . . 3.400 3.241 2.155 3.494 0.094 17 0 "[ . 1 . 2]" 1
208 1 16 ASN HD21 1 18 ALA MB . . 6.000 3.529 2.227 4.796 . 0 0 "[ . 1 . 2]" 1
209 1 16 ASN HD22 1 18 ALA H . . 5.000 4.252 3.233 5.100 0.100 13 0 "[ . 1 . 2]" 1
210 1 16 ASN HD22 1 18 ALA MB . . 5.400 3.204 2.102 4.259 . 0 0 "[ . 1 . 2]" 1
211 1 16 ASN HD22 1 19 GLU QG . . 5.680 3.026 1.907 4.833 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLN H 1 17 GLN HB2 . . 2.900 2.146 1.988 2.427 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLN H 1 17 GLN HB3 . . 3.600 3.410 3.132 3.655 0.055 19 0 "[ . 1 . 2]" 1
214 1 17 GLN H 1 17 GLN HG2 . . 4.400 4.041 3.543 4.379 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLN H 1 17 GLN QG . . 3.790 2.981 2.265 3.479 . 0 0 "[ . 1 . 2]" 1
216 1 17 GLN H 1 17 GLN HG3 . . 4.400 3.082 2.287 3.693 . 0 0 "[ . 1 . 2]" 1
217 1 17 GLN H 1 18 ALA H . . 3.200 2.871 2.584 3.221 0.021 10 0 "[ . 1 . 2]" 1
218 1 17 GLN HA 1 17 GLN HB3 . . 2.800 2.723 2.547 2.871 0.071 14 0 "[ . 1 . 2]" 1
219 1 17 GLN HA 1 17 GLN QG . . 3.720 2.242 2.042 2.488 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLN HA 1 20 LEU H . . 3.800 3.564 3.113 3.857 0.057 1 0 "[ . 1 . 2]" 1
221 1 17 GLN HA 1 20 LEU HB2 . . 4.200 3.603 3.016 4.133 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLN HA 1 20 LEU HB3 . . 3.600 2.703 2.310 3.221 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLN HA 1 21 ALA H . . 4.200 3.788 3.394 4.039 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLN HA 1 31 ILE MG . . 4.200 2.786 2.281 3.322 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLN HB2 1 17 GLN HE22 . . 4.400 4.221 3.706 4.492 0.092 19 0 "[ . 1 . 2]" 1
226 1 17 GLN HB2 1 18 ALA H . . 3.500 3.101 2.447 3.567 0.067 14 0 "[ . 1 . 2]" 1
227 1 17 GLN HB3 1 17 GLN HE22 . . 5.000 4.126 3.532 4.781 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLN HB3 1 21 ALA H . . 4.800 4.841 4.517 4.891 0.091 16 0 "[ . 1 . 2]" 1
229 1 17 GLN HE21 1 31 ILE MG . . 5.400 3.012 1.983 4.378 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLN HE21 1 32 GLU HA . . 5.000 3.212 1.993 4.846 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLN HE22 1 31 ILE MG . . 6.000 3.761 3.268 4.396 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLN HE22 1 32 GLU HA . . 3.900 2.523 2.008 3.378 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLN HE22 1 35 GLU HB2 . . 5.000 4.233 3.246 5.059 0.059 20 0 "[ . 1 . 2]" 1
234 1 17 GLN HE22 1 35 GLU QB . . 4.530 3.564 2.479 4.108 . 0 0 "[ . 1 . 2]" 1
235 1 17 GLN HE22 1 35 GLU HB3 . . 5.000 3.977 2.535 5.055 0.055 17 0 "[ . 1 . 2]" 1
236 1 17 GLN HE22 1 35 GLU QG . . 6.000 4.713 2.979 5.457 . 0 0 "[ . 1 . 2]" 1
237 1 18 ALA H 1 18 ALA MB . . 3.400 2.233 2.168 2.295 . 0 0 "[ . 1 . 2]" 1
238 1 18 ALA H 1 19 GLU H . . 2.900 2.838 2.588 2.970 0.070 7 0 "[ . 1 . 2]" 1
239 1 18 ALA HA 1 21 ALA H . . 3.700 3.591 3.395 3.770 0.070 6 0 "[ . 1 . 2]" 1
240 1 18 ALA HA 1 21 ALA MB . . 3.600 2.567 2.283 2.836 . 0 0 "[ . 1 . 2]" 1
241 1 18 ALA HA 1 22 GLN H . . 4.700 4.029 3.758 4.307 . 0 0 "[ . 1 . 2]" 1
242 1 18 ALA HA 1 28 GLN H . . 4.400 4.231 3.153 4.483 0.083 10 0 "[ . 1 . 2]" 1
243 1 18 ALA HA 1 28 GLN QB . . 4.580 2.670 2.311 3.715 . 0 0 "[ . 1 . 2]" 1
244 1 18 ALA MB 1 19 GLU H . . 3.400 2.395 2.131 2.681 . 0 0 "[ . 1 . 2]" 1
245 1 19 GLU H 1 19 GLU HB2 . . 3.600 2.379 2.174 2.908 . 0 0 "[ . 1 . 2]" 1
246 1 19 GLU H 1 19 GLU QB . . 3.290 2.298 1.910 2.516 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLU H 1 19 GLU HB3 . . 3.600 3.472 1.937 3.626 0.026 3 0 "[ . 1 . 2]" 1
248 1 19 GLU H 1 19 GLU HG2 . . 4.100 3.344 2.337 4.083 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLU H 1 19 GLU QG . . 3.710 2.773 2.181 3.448 . 0 0 "[ . 1 . 2]" 1
250 1 19 GLU H 1 19 GLU HG3 . . 4.100 3.317 2.204 4.146 0.046 10 0 "[ . 1 . 2]" 1
251 1 19 GLU H 1 20 LEU H . . 3.000 2.881 2.576 3.039 0.039 18 0 "[ . 1 . 2]" 1
252 1 19 GLU HA 1 22 GLN QG . . 5.880 3.279 2.072 4.618 . 0 0 "[ . 1 . 2]" 1
253 1 19 GLU QB 1 20 LEU H . . 3.980 2.623 2.260 2.979 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU H 1 20 LEU HB2 . . 2.700 2.472 2.183 2.658 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU H 1 20 LEU HB3 . . 2.600 2.537 2.408 2.677 0.077 9 0 "[ . 1 . 2]" 1
256 1 20 LEU H 1 20 LEU MD1 . . 5.100 4.162 3.836 4.273 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU H 1 20 LEU MD2 . . 5.100 4.226 4.041 4.274 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU H 1 20 LEU HG . . 4.500 4.424 4.186 4.537 0.037 5 0 "[ . 1 . 2]" 1
259 1 20 LEU H 1 21 ALA H . . 2.900 2.843 2.638 2.940 0.040 14 0 "[ . 1 . 2]" 1
260 1 20 LEU HA 1 20 LEU HB2 . . 2.600 2.444 2.362 2.588 . 0 0 "[ . 1 . 2]" 1
261 1 20 LEU HA 1 20 LEU HG . . 3.300 3.011 2.328 3.393 0.093 1 0 "[ . 1 . 2]" 1
262 1 20 LEU HA 1 21 ALA H . . 3.600 3.601 3.509 3.641 0.041 8 0 "[ . 1 . 2]" 1
263 1 20 LEU HB3 1 21 ALA H . . 2.900 2.370 2.184 2.530 . 0 0 "[ . 1 . 2]" 1
264 1 20 LEU QD 1 48 LEU HA . . 6.570 3.450 2.892 3.983 . 0 0 "[ . 1 . 2]" 1
265 1 20 LEU MD1 1 21 ALA H . . 5.200 4.154 3.132 4.445 . 0 0 "[ . 1 . 2]" 1
266 1 20 LEU MD2 1 21 ALA H . . 5.200 3.791 2.737 4.321 . 0 0 "[ . 1 . 2]" 1
267 1 21 ALA H 1 21 ALA MB . . 3.400 2.234 2.194 2.286 . 0 0 "[ . 1 . 2]" 1
268 1 21 ALA H 1 22 GLN H . . 3.100 2.967 2.802 3.164 0.064 17 0 "[ . 1 . 2]" 1
269 1 21 ALA H 1 26 THR MG . . 6.000 4.689 4.454 5.008 . 0 0 "[ . 1 . 2]" 1
270 1 21 ALA H 1 31 ILE MD . . 5.900 3.941 3.571 4.610 . 0 0 "[ . 1 . 2]" 1
271 1 21 ALA H 1 31 ILE QG . . 4.380 2.898 2.620 3.423 . 0 0 "[ . 1 . 2]" 1
272 1 21 ALA HA 1 24 VAL H . . 3.900 3.585 3.308 3.873 . 0 0 "[ . 1 . 2]" 1
273 1 21 ALA HA 1 24 VAL HB . . 2.800 2.642 2.273 2.872 0.072 2 0 "[ . 1 . 2]" 1
274 1 21 ALA HA 1 24 VAL MG2 . . 5.300 3.131 2.243 3.633 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA HA 1 26 THR H . . 3.900 3.577 3.209 3.966 0.066 16 0 "[ . 1 . 2]" 1
276 1 21 ALA HA 1 26 THR MG . . 3.400 2.436 2.174 2.713 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA HA 1 31 ILE MD . . 4.200 2.406 2.116 2.820 . 0 0 "[ . 1 . 2]" 1
278 1 21 ALA HA 1 31 ILE QG . . 5.280 2.623 2.257 3.302 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA MB 1 22 GLN H . . 3.600 2.466 2.301 2.710 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 28 GLN HA . . 3.400 2.300 2.115 2.860 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 29 GLN H . . 6.000 4.618 4.410 4.827 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA MB 1 31 ILE H . . 5.200 3.605 3.224 4.030 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA MB 1 31 ILE MD . . 5.100 2.793 2.070 3.433 . 0 0 "[ . 1 . 2]" 1
284 1 22 GLN H 1 22 GLN HA . . 2.900 2.833 2.785 2.909 0.009 11 0 "[ . 1 . 2]" 1
285 1 22 GLN H 1 22 GLN QB . . 3.500 2.332 2.007 2.605 . 0 0 "[ . 1 . 2]" 1
286 1 22 GLN H 1 22 GLN HG2 . . 5.000 3.527 2.007 4.598 . 0 0 "[ . 1 . 2]" 1
287 1 22 GLN H 1 22 GLN HG3 . . 5.000 3.826 2.146 4.577 . 0 0 "[ . 1 . 2]" 1
288 1 22 GLN H 1 23 LYS H . . 2.900 2.839 2.614 2.965 0.065 16 0 "[ . 1 . 2]" 1
289 1 22 GLN QB 1 23 LYS H . . 4.400 2.980 2.417 3.766 . 0 0 "[ . 1 . 2]" 1
290 1 23 LYS H 1 23 LYS HA . . 2.800 2.869 2.855 2.878 0.078 16 0 "[ . 1 . 2]" 1
291 1 23 LYS H 1 23 LYS QB . . 3.500 2.457 2.183 2.808 . 0 0 "[ . 1 . 2]" 1
292 1 23 LYS H 1 23 LYS HG2 . . 4.100 3.133 2.028 4.106 0.006 19 0 "[ . 1 . 2]" 1
293 1 23 LYS H 1 23 LYS QG . . 3.900 2.561 2.012 3.626 . 0 0 "[ . 1 . 2]" 1
294 1 23 LYS H 1 23 LYS HG3 . . 4.100 3.100 2.292 4.036 . 0 0 "[ . 1 . 2]" 1
295 1 23 LYS H 1 24 VAL H . . 2.500 2.565 2.524 2.578 0.078 3 0 "[ . 1 . 2]" 1
296 1 23 LYS HA 1 24 VAL H . . 3.500 3.525 3.487 3.557 0.057 20 0 "[ . 1 . 2]" 1
297 1 24 VAL H 1 24 VAL HB . . 2.500 2.414 2.295 2.584 0.084 20 0 "[ . 1 . 2]" 1
298 1 24 VAL H 1 24 VAL MG1 . . 4.500 3.781 3.741 3.832 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL H 1 24 VAL MG2 . . 3.700 2.232 1.927 2.490 . 0 0 "[ . 1 . 2]" 1
300 1 24 VAL H 1 25 GLY H . . 2.700 2.545 2.325 2.723 0.023 19 0 "[ . 1 . 2]" 1
301 1 24 VAL HA 1 24 VAL HB . . 2.900 2.983 2.978 2.989 0.089 2 0 "[ . 1 . 2]" 1
302 1 24 VAL HA 1 24 VAL MG1 . . 3.400 2.442 2.291 2.602 . 0 0 "[ . 1 . 2]" 1
303 1 24 VAL HA 1 24 VAL MG2 . . 3.500 2.353 2.222 2.532 . 0 0 "[ . 1 . 2]" 1
304 1 24 VAL HA 1 25 GLY H . . 3.500 3.520 3.461 3.549 0.049 2 0 "[ . 1 . 2]" 1
305 1 24 VAL HA 1 47 GLU QB . . 4.280 3.034 2.464 3.643 . 0 0 "[ . 1 . 2]" 1
306 1 24 VAL HA 1 51 ALA MB . . 5.500 2.883 2.318 3.907 . 0 0 "[ . 1 . 2]" 1
307 1 24 VAL HB 1 25 GLY H . . 3.500 2.842 2.426 3.235 . 0 0 "[ . 1 . 2]" 1
308 1 24 VAL HB 1 26 THR H . . 3.800 2.752 2.609 2.992 . 0 0 "[ . 1 . 2]" 1
309 1 24 VAL HB 1 26 THR MG . . 3.700 2.252 2.084 2.534 . 0 0 "[ . 1 . 2]" 1
310 1 24 VAL MG1 1 26 THR H . . 5.400 3.107 2.041 4.221 . 0 0 "[ . 1 . 2]" 1
311 1 24 VAL MG1 1 26 THR HB . . 4.800 2.666 2.323 3.527 . 0 0 "[ . 1 . 2]" 1
312 1 24 VAL MG1 1 44 PHE QR . . 8.000 2.437 2.043 3.581 . 0 0 "[ . 1 . 2]" 1
313 1 24 VAL MG1 1 47 GLU HA . . 5.500 4.134 3.903 4.377 . 0 0 "[ . 1 . 2]" 1
314 1 24 VAL MG1 1 47 GLU QB . . 6.880 2.121 1.892 2.476 . 0 0 "[ . 1 . 2]" 1
315 1 24 VAL MG1 1 47 GLU QG . . 6.780 3.747 3.233 4.349 . 0 0 "[ . 1 . 2]" 1
316 1 24 VAL MG1 1 48 LEU H . . 6.000 3.136 2.705 3.541 . 0 0 "[ . 1 . 2]" 1
317 1 24 VAL MG1 1 48 LEU HA . . 3.900 2.984 2.627 3.143 . 0 0 "[ . 1 . 2]" 1
318 1 24 VAL MG1 1 48 LEU QB . . 6.280 3.086 2.203 3.418 . 0 0 "[ . 1 . 2]" 1
319 1 24 VAL MG1 1 51 ALA H . . 6.000 4.805 4.611 4.919 . 0 0 "[ . 1 . 2]" 1
320 1 24 VAL MG2 1 25 GLY H . . 6.000 3.957 3.653 4.158 . 0 0 "[ . 1 . 2]" 1
321 1 24 VAL MG2 1 26 THR H . . 5.100 4.320 4.207 4.375 . 0 0 "[ . 1 . 2]" 1
322 1 24 VAL MG2 1 26 THR HB . . 6.000 4.923 4.677 5.066 . 0 0 "[ . 1 . 2]" 1
323 1 24 VAL MG2 1 44 PHE QR . . 8.400 3.642 3.041 4.492 . 0 0 "[ . 1 . 2]" 1
324 1 24 VAL MG2 1 48 LEU H . . 6.000 3.880 3.678 4.303 . 0 0 "[ . 1 . 2]" 1
325 1 24 VAL MG2 1 51 ALA H . . 5.200 3.600 3.182 4.094 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLY H 1 26 THR H . . 2.800 2.319 1.975 2.807 0.007 16 0 "[ . 1 . 2]" 1
327 1 26 THR H 1 26 THR HB . . 3.800 3.019 2.428 3.386 . 0 0 "[ . 1 . 2]" 1
328 1 26 THR H 1 26 THR MG . . 3.400 2.308 2.130 2.574 . 0 0 "[ . 1 . 2]" 1
329 1 26 THR HA 1 27 THR H . . 3.200 2.749 2.604 2.971 . 0 0 "[ . 1 . 2]" 1
330 1 26 THR HA 1 27 THR MG . . 6.000 3.685 3.393 3.988 . 0 0 "[ . 1 . 2]" 1
331 1 26 THR HB 1 27 THR H . . 3.500 3.568 3.528 3.586 0.086 11 0 "[ . 1 . 2]" 1
332 1 26 THR HB 1 44 PHE QR . . 7.400 3.557 2.443 4.296 . 0 0 "[ . 1 . 2]" 1
333 1 26 THR MG 1 27 THR H . . 3.700 2.425 2.164 2.575 . 0 0 "[ . 1 . 2]" 1
334 1 26 THR MG 1 27 THR HA . . 6.000 3.925 3.726 4.043 . 0 0 "[ . 1 . 2]" 1
335 1 26 THR MG 1 28 GLN H . . 6.000 4.787 4.614 4.831 . 0 0 "[ . 1 . 2]" 1
336 1 26 THR MG 1 28 GLN HA . . 5.900 4.539 4.304 4.795 . 0 0 "[ . 1 . 2]" 1
337 1 26 THR MG 1 30 SER HB2 . . 4.900 2.776 2.044 3.889 . 0 0 "[ . 1 . 2]" 1
338 1 26 THR MG 1 31 ILE HA . . 5.400 4.218 3.719 4.563 . 0 0 "[ . 1 . 2]" 1
339 1 26 THR MG 1 31 ILE HG12 . . 5.000 3.092 2.130 3.912 . 0 0 "[ . 1 . 2]" 1
340 1 26 THR MG 1 31 ILE QG . . 4.490 2.907 2.107 3.508 . 0 0 "[ . 1 . 2]" 1
341 1 26 THR MG 1 31 ILE HG13 . . 5.000 3.724 3.146 4.135 . 0 0 "[ . 1 . 2]" 1
342 1 26 THR MG 1 44 PHE HZ . . 6.000 3.875 3.009 4.842 . 0 0 "[ . 1 . 2]" 1
343 1 27 THR H 1 27 THR MG . . 4.000 3.019 2.707 3.298 . 0 0 "[ . 1 . 2]" 1
344 1 27 THR H 1 30 SER H . . 5.000 3.583 3.334 3.983 . 0 0 "[ . 1 . 2]" 1
345 1 27 THR H 1 30 SER HB2 . . 3.500 2.905 2.268 3.559 0.059 19 0 "[ . 1 . 2]" 1
346 1 27 THR H 1 30 SER HB3 . . 4.000 3.691 2.787 4.069 0.069 10 0 "[ . 1 . 2]" 1
347 1 27 THR HA 1 28 GLN H . . 2.600 2.190 2.086 2.284 . 0 0 "[ . 1 . 2]" 1
348 1 27 THR HA 1 29 GLN H . . 4.200 4.138 3.882 4.276 0.076 14 0 "[ . 1 . 2]" 1
349 1 27 THR HB 1 28 GLN H . . 3.000 2.769 2.467 3.059 0.059 17 0 "[ . 1 . 2]" 1
350 1 27 THR HB 1 29 GLN H . . 3.000 2.527 2.168 2.982 . 0 0 "[ . 1 . 2]" 1
351 1 27 THR HB 1 29 GLN HB2 . . 4.700 3.467 2.960 4.428 . 0 0 "[ . 1 . 2]" 1
352 1 27 THR HB 1 29 GLN HB3 . . 4.800 3.326 2.505 4.286 . 0 0 "[ . 1 . 2]" 1
353 1 27 THR HB 1 30 SER H . . 4.000 3.297 2.409 3.906 . 0 0 "[ . 1 . 2]" 1
354 1 27 THR MG 1 28 GLN H . . 4.100 3.336 3.237 3.394 . 0 0 "[ . 1 . 2]" 1
355 1 27 THR MG 1 30 SER H . . 6.000 4.450 3.834 4.925 . 0 0 "[ . 1 . 2]" 1
356 1 28 GLN H 1 28 GLN HB2 . . 3.300 2.445 2.077 2.803 . 0 0 "[ . 1 . 2]" 1
357 1 28 GLN H 1 28 GLN QB . . 2.930 2.198 2.049 2.291 . 0 0 "[ . 1 . 2]" 1
358 1 28 GLN H 1 28 GLN HB3 . . 3.300 2.585 2.327 3.158 . 0 0 "[ . 1 . 2]" 1
359 1 28 GLN H 1 29 GLN H . . 3.000 2.806 2.611 3.061 0.061 10 0 "[ . 1 . 2]" 1
360 1 28 GLN HA 1 28 GLN HB2 . . 3.000 2.480 2.359 2.776 . 0 0 "[ . 1 . 2]" 1
361 1 28 GLN HA 1 28 GLN HB3 . . 3.000 3.036 3.008 3.054 0.054 16 0 "[ . 1 . 2]" 1
362 1 28 GLN HA 1 30 SER H . . 4.900 4.434 4.011 4.935 0.035 1 0 "[ . 1 . 2]" 1
363 1 28 GLN HA 1 31 ILE H . . 3.800 3.380 2.922 3.640 . 0 0 "[ . 1 . 2]" 1
364 1 28 GLN HA 1 31 ILE HB . . 3.100 2.702 2.267 3.161 0.061 9 0 "[ . 1 . 2]" 1
365 1 29 GLN H 1 29 GLN HB2 . . 3.000 2.262 2.034 2.575 . 0 0 "[ . 1 . 2]" 1
366 1 29 GLN H 1 29 GLN HB3 . . 3.200 2.810 2.418 3.262 0.062 6 0 "[ . 1 . 2]" 1
367 1 29 GLN H 1 30 SER H . . 3.200 2.959 2.721 3.202 0.002 13 0 "[ . 1 . 2]" 1
368 1 29 GLN H 1 31 ILE H . . 5.000 4.335 4.062 4.577 . 0 0 "[ . 1 . 2]" 1
369 1 29 GLN HA 1 29 GLN HB2 . . 2.900 2.593 2.312 2.958 0.058 6 0 "[ . 1 . 2]" 1
370 1 29 GLN HA 1 29 GLN HE21 . . 5.000 3.353 2.224 4.576 . 0 0 "[ . 1 . 2]" 1
371 1 29 GLN HA 1 29 GLN HE22 . . 5.000 4.202 3.122 5.099 0.099 17 0 "[ . 1 . 2]" 1
372 1 29 GLN HB2 1 29 GLN HE22 . . 5.000 4.384 3.286 5.089 0.089 5 0 "[ . 1 . 2]" 1
373 1 29 GLN HB2 1 30 SER H . . 3.900 3.717 3.191 3.969 0.069 10 0 "[ . 1 . 2]" 1
374 1 29 GLN HB3 1 29 GLN HE22 . . 5.000 4.444 3.309 5.091 0.091 6 0 "[ . 1 . 2]" 1
375 1 29 GLN HB3 1 30 SER H . . 3.500 2.636 2.231 3.244 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLN QG 1 30 SER H . . 6.000 4.099 3.349 4.800 . 0 0 "[ . 1 . 2]" 1
377 1 30 SER H 1 30 SER HB2 . . 3.100 2.505 2.189 3.104 0.004 19 0 "[ . 1 . 2]" 1
378 1 30 SER H 1 30 SER HB3 . . 3.400 3.240 2.630 3.488 0.088 1 0 "[ . 1 . 2]" 1
379 1 30 SER H 1 31 ILE H . . 3.000 2.716 2.349 2.989 . 0 0 "[ . 1 . 2]" 1
380 1 30 SER HA 1 33 GLN H . . 3.700 3.651 3.127 3.775 0.075 9 0 "[ . 1 . 2]" 1
381 1 30 SER HA 1 33 GLN QB . . 4.600 3.357 2.613 4.184 . 0 0 "[ . 1 . 2]" 1
382 1 30 SER HB2 1 31 ILE H . . 3.800 2.943 2.438 3.851 0.051 4 0 "[ . 1 . 2]" 1
383 1 30 SER HB2 1 44 PHE QR . . 7.400 3.871 3.146 4.717 . 0 0 "[ . 1 . 2]" 1
384 1 30 SER HB2 1 44 PHE HZ . . 4.700 4.219 3.253 4.779 0.079 15 0 "[ . 1 . 2]" 1
385 1 30 SER HB3 1 44 PHE QR . . 7.400 2.937 2.248 3.957 . 0 0 "[ . 1 . 2]" 1
386 1 30 SER HB3 1 44 PHE HZ . . 5.000 3.175 2.398 4.115 . 0 0 "[ . 1 . 2]" 1
387 1 31 ILE H 1 31 ILE HB . . 2.900 2.413 2.091 2.670 . 0 0 "[ . 1 . 2]" 1
388 1 31 ILE H 1 31 ILE MD . . 5.000 2.730 2.146 3.406 . 0 0 "[ . 1 . 2]" 1
389 1 31 ILE H 1 31 ILE HG12 . . 4.800 3.117 2.143 4.065 . 0 0 "[ . 1 . 2]" 1
390 1 31 ILE H 1 31 ILE QG . . 3.980 2.909 2.129 3.636 . 0 0 "[ . 1 . 2]" 1
391 1 31 ILE H 1 31 ILE HG13 . . 4.800 3.892 3.654 4.132 . 0 0 "[ . 1 . 2]" 1
392 1 31 ILE H 1 32 GLU H . . 3.000 2.743 2.286 3.041 0.041 15 0 "[ . 1 . 2]" 1
393 1 31 ILE HA 1 31 ILE MD . . 3.400 2.266 2.096 2.523 . 0 0 "[ . 1 . 2]" 1
394 1 31 ILE HA 1 34 LEU H . . 3.800 3.394 3.128 3.637 . 0 0 "[ . 1 . 2]" 1
395 1 31 ILE HA 1 34 LEU MD2 . . 6.000 3.588 2.589 5.089 . 0 0 "[ . 1 . 2]" 1
396 1 31 ILE HA 1 44 PHE QR . . 7.400 3.862 2.797 4.719 . 0 0 "[ . 1 . 2]" 1
397 1 31 ILE MD 1 44 PHE HZ . . 5.200 3.443 2.414 4.104 . 0 0 "[ . 1 . 2]" 1
398 1 31 ILE MG 1 32 GLU H . . 4.800 3.247 2.645 3.787 . 0 0 "[ . 1 . 2]" 1
399 1 32 GLU H 1 32 GLU HA . . 2.900 2.789 2.684 2.863 . 0 0 "[ . 1 . 2]" 1
400 1 32 GLU H 1 32 GLU HB2 . . 2.800 2.377 2.157 2.668 . 0 0 "[ . 1 . 2]" 1
401 1 32 GLU H 1 32 GLU HB3 . . 2.800 2.615 2.292 2.857 0.057 14 0 "[ . 1 . 2]" 1
402 1 32 GLU H 1 32 GLU QG . . 4.900 3.985 3.800 4.089 . 0 0 "[ . 1 . 2]" 1
403 1 32 GLU QB 1 33 GLN H . . 4.280 2.395 2.157 2.825 . 0 0 "[ . 1 . 2]" 1
404 1 32 GLU QG 1 33 GLN H . . 6.000 3.737 2.835 4.217 . 0 0 "[ . 1 . 2]" 1
405 1 32 GLU QG 1 36 ASN HD21 . . 6.000 3.274 2.209 5.334 . 0 0 "[ . 1 . 2]" 1
406 1 32 GLU QG 1 36 ASN HD22 . . 6.000 3.575 2.223 5.385 . 0 0 "[ . 1 . 2]" 1
407 1 33 GLN H 1 33 GLN QB . . 3.600 2.400 2.051 2.588 . 0 0 "[ . 1 . 2]" 1
408 1 33 GLN H 1 33 GLN HG2 . . 4.700 2.974 2.172 4.401 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLN H 1 33 GLN QG . . 4.140 2.500 2.143 3.842 . 0 0 "[ . 1 . 2]" 1
410 1 33 GLN H 1 33 GLN HG3 . . 4.700 3.198 2.192 4.385 . 0 0 "[ . 1 . 2]" 1
411 1 33 GLN H 1 34 LEU H . . 3.100 2.752 2.622 2.856 . 0 0 "[ . 1 . 2]" 1
412 1 33 GLN HA 1 36 ASN H . . 3.700 3.543 3.179 3.777 0.077 12 0 "[ . 1 . 2]" 1
413 1 33 GLN HA 1 36 ASN QB . . 4.500 2.972 2.201 4.086 . 0 0 "[ . 1 . 2]" 1
414 1 33 GLN HA 1 36 ASN HD21 . . 5.000 3.189 2.193 4.013 . 0 0 "[ . 1 . 2]" 1
415 1 33 GLN HA 1 36 ASN HD22 . . 5.000 3.763 2.183 5.075 0.075 10 0 "[ . 1 . 2]" 1
416 1 33 GLN QG 1 34 LEU H . . 5.880 3.582 2.259 4.559 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU H 1 34 LEU HB2 . . 2.900 2.289 1.958 2.571 . 0 0 "[ . 1 . 2]" 1
418 1 34 LEU H 1 34 LEU HB3 . . 2.800 2.631 2.370 2.892 0.092 7 0 "[ . 1 . 2]" 1
419 1 34 LEU H 1 34 LEU MD1 . . 5.500 3.972 3.155 4.268 . 0 0 "[ . 1 . 2]" 1
420 1 34 LEU H 1 34 LEU MD2 . . 5.000 4.132 3.977 4.204 . 0 0 "[ . 1 . 2]" 1
421 1 34 LEU H 1 34 LEU HG . . 4.700 4.336 3.773 4.545 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU H 1 35 GLU H . . 3.000 2.606 2.136 2.883 . 0 0 "[ . 1 . 2]" 1
423 1 34 LEU HA 1 34 LEU HB2 . . 2.700 2.569 2.420 2.773 0.073 7 0 "[ . 1 . 2]" 1
424 1 34 LEU HA 1 34 LEU HB3 . . 2.900 2.975 2.948 2.987 0.087 19 0 "[ . 1 . 2]" 1
425 1 34 LEU HA 1 34 LEU HG . . 3.100 2.820 2.208 3.159 0.059 4 0 "[ . 1 . 2]" 1
426 1 34 LEU HA 1 38 LYS H . . 4.300 3.730 2.850 4.368 0.068 4 0 "[ . 1 . 2]" 1
427 1 34 LEU HB2 1 35 GLU H . . 3.500 3.462 3.096 3.584 0.084 4 0 "[ . 1 . 2]" 1
428 1 34 LEU HB2 1 44 PHE QR . . 7.400 3.727 3.029 4.178 . 0 0 "[ . 1 . 2]" 1
429 1 34 LEU HB2 1 44 PHE HZ . . 5.000 3.148 2.463 4.272 . 0 0 "[ . 1 . 2]" 1
430 1 34 LEU HB3 1 35 GLU H . . 3.400 2.289 2.031 2.593 . 0 0 "[ . 1 . 2]" 1
431 1 34 LEU HB3 1 44 PHE QR . . 7.400 4.357 3.494 4.881 . 0 0 "[ . 1 . 2]" 1
432 1 34 LEU MD1 1 35 GLU H . . 5.500 4.425 4.151 4.626 . 0 0 "[ . 1 . 2]" 1
433 1 34 LEU MD1 1 39 THR H . . 6.000 4.347 3.361 5.131 . 0 0 "[ . 1 . 2]" 1
434 1 34 LEU MD1 1 42 PRO QD . . 6.780 3.106 2.246 4.531 . 0 0 "[ . 1 . 2]" 1
435 1 34 LEU MD1 1 44 PHE QR . . 8.400 3.044 2.092 4.183 . 0 0 "[ . 1 . 2]" 1
436 1 34 LEU MD1 1 44 PHE HZ . . 6.000 3.176 2.037 4.701 . 0 0 "[ . 1 . 2]" 1
437 1 34 LEU MD2 1 35 GLU H . . 5.900 3.891 3.062 4.332 . 0 0 "[ . 1 . 2]" 1
438 1 34 LEU MD2 1 44 PHE QR . . 8.400 2.804 2.104 4.368 . 0 0 "[ . 1 . 2]" 1
439 1 34 LEU MD2 1 44 PHE HZ . . 4.500 3.459 2.444 3.892 . 0 0 "[ . 1 . 2]" 1
440 1 34 LEU HG 1 35 GLU H . . 5.000 4.106 3.300 5.076 0.076 15 0 "[ . 1 . 2]" 1
441 1 35 GLU H 1 35 GLU HB2 . . 3.300 2.220 2.083 2.485 . 0 0 "[ . 1 . 2]" 1
442 1 35 GLU H 1 35 GLU QB . . 3.080 2.141 2.063 2.316 . 0 0 "[ . 1 . 2]" 1
443 1 35 GLU H 1 35 GLU HB3 . . 3.300 2.948 2.498 3.377 0.077 7 0 "[ . 1 . 2]" 1
444 1 35 GLU H 1 36 ASN H . . 3.000 2.780 2.514 3.069 0.069 17 0 "[ . 1 . 2]" 1
445 1 35 GLU HB2 1 36 ASN H . . 3.700 3.547 2.724 3.782 0.082 12 0 "[ . 1 . 2]" 1
446 1 35 GLU HB3 1 36 ASN H . . 3.700 2.806 2.439 3.290 . 0 0 "[ . 1 . 2]" 1
447 1 35 GLU QG 1 36 ASN HA . . 6.000 4.767 3.733 5.460 . 0 0 "[ . 1 . 2]" 1
448 1 36 ASN H 1 36 ASN QB . . 3.600 2.335 2.048 2.583 . 0 0 "[ . 1 . 2]" 1
449 1 36 ASN H 1 36 ASN HD22 . . 5.000 4.354 3.694 5.069 0.069 10 0 "[ . 1 . 2]" 1
450 1 36 ASN H 1 37 GLY H . . 2.600 2.646 2.487 2.685 0.085 17 0 "[ . 1 . 2]" 1
451 1 36 ASN HA 1 37 GLY H . . 3.500 3.389 3.223 3.562 0.062 2 0 "[ . 1 . 2]" 1
452 1 36 ASN QB 1 38 LYS H . . 5.300 3.632 2.345 4.754 . 0 0 "[ . 1 . 2]" 1
453 1 37 GLY H 1 37 GLY QA . . 2.640 2.203 2.153 2.290 . 0 0 "[ . 1 . 2]" 1
454 1 37 GLY H 1 38 LYS H . . 2.600 2.550 2.089 2.680 0.080 15 0 "[ . 1 . 2]" 1
455 1 38 LYS H 1 38 LYS HB2 . . 2.700 2.223 2.011 2.697 . 0 0 "[ . 1 . 2]" 1
456 1 38 LYS H 1 38 LYS HB3 . . 3.200 3.070 2.422 3.300 0.100 15 0 "[ . 1 . 2]" 1
457 1 38 LYS H 1 38 LYS QD . . 6.000 4.272 3.094 4.836 . 0 0 "[ . 1 . 2]" 1
458 1 38 LYS H 1 38 LYS HG2 . . 4.500 4.240 3.493 4.567 0.067 6 0 "[ . 1 . 2]" 1
459 1 38 LYS H 1 38 LYS QG . . 4.310 3.445 2.719 3.997 . 0 0 "[ . 1 . 2]" 1
460 1 38 LYS H 1 38 LYS HG3 . . 4.500 3.702 2.789 4.520 0.020 3 0 "[ . 1 . 2]" 1
461 1 38 LYS H 1 39 THR H . . 2.800 2.377 2.018 2.690 . 0 0 "[ . 1 . 2]" 1
462 1 38 LYS HA 1 38 LYS HG2 . . 3.100 2.509 2.016 3.208 0.108 18 0 "[ . 1 . 2]" 1
463 1 38 LYS HA 1 38 LYS QG . . 2.870 2.191 1.996 2.405 . 0 0 "[ . 1 . 2]" 1
464 1 38 LYS HA 1 38 LYS HG3 . . 3.100 2.578 2.116 3.203 0.103 12 0 "[ . 1 . 2]" 1
465 1 38 LYS HA 1 39 THR H . . 3.400 3.469 3.341 3.500 0.100 11 0 "[ . 1 . 2]" 1
466 1 38 LYS HB2 1 39 THR H . . 3.900 3.441 2.550 3.970 0.070 17 0 "[ . 1 . 2]" 1
467 1 38 LYS HB3 1 39 THR H . . 3.800 3.213 2.482 3.859 0.059 10 0 "[ . 1 . 2]" 1
468 1 39 THR H 1 39 THR HB . . 3.200 2.836 2.511 3.293 0.093 6 0 "[ . 1 . 2]" 1
469 1 39 THR HA 1 39 THR MG . . 3.400 2.288 2.140 2.929 . 0 0 "[ . 1 . 2]" 1
470 1 39 THR HA 1 40 LYS H . . 3.600 2.320 2.125 2.578 . 0 0 "[ . 1 . 2]" 1
471 1 39 THR HB 1 40 LYS H . . 3.500 3.518 3.092 3.583 0.083 13 0 "[ . 1 . 2]" 1
472 1 39 THR MG 1 40 LYS H . . 5.200 2.405 1.886 4.027 . 0 0 "[ . 1 . 2]" 1
473 1 39 THR MG 1 41 ARG H . . 5.000 3.105 2.331 4.259 . 0 0 "[ . 1 . 2]" 1
474 1 39 THR MG 1 42 PRO HA . . 5.200 2.742 2.247 3.593 . 0 0 "[ . 1 . 2]" 1
475 1 39 THR MG 1 42 PRO HD2 . . 6.000 4.134 3.694 4.946 . 0 0 "[ . 1 . 2]" 1
476 1 39 THR MG 1 42 PRO QD . . 5.550 2.748 2.244 3.678 . 0 0 "[ . 1 . 2]" 1
477 1 39 THR MG 1 42 PRO HD3 . . 6.000 2.796 2.261 3.793 . 0 0 "[ . 1 . 2]" 1
478 1 40 LYS H 1 40 LYS QB . . 3.630 2.510 2.198 3.065 . 0 0 "[ . 1 . 2]" 1
479 1 40 LYS H 1 40 LYS HG2 . . 4.800 3.800 2.075 4.850 0.050 1 0 "[ . 1 . 2]" 1
480 1 40 LYS H 1 40 LYS QG . . 4.570 3.363 2.031 4.174 . 0 0 "[ . 1 . 2]" 1
481 1 40 LYS H 1 40 LYS HG3 . . 4.800 3.944 2.593 4.839 0.039 12 0 "[ . 1 . 2]" 1
482 1 40 LYS H 1 41 ARG H . . 2.900 2.309 1.791 2.967 0.067 8 0 "[ . 1 . 2]" 1
483 1 40 LYS HA 1 41 ARG H . . 3.500 3.558 3.466 3.577 0.077 4 0 "[ . 1 . 2]" 1
484 1 41 ARG H 1 41 ARG HB2 . . 3.100 2.997 2.464 3.176 0.076 18 0 "[ . 1 . 2]" 1
485 1 41 ARG H 1 41 ARG HB3 . . 3.100 2.844 2.560 3.161 0.061 15 0 "[ . 1 . 2]" 1
486 1 41 ARG HA 1 41 ARG QG . . 4.000 2.385 2.118 2.926 . 0 0 "[ . 1 . 2]" 1
487 1 41 ARG HA 1 42 PRO HD2 . . 3.300 2.229 2.113 2.560 . 0 0 "[ . 1 . 2]" 1
488 1 41 ARG HA 1 42 PRO QD . . 2.930 2.144 2.063 2.301 . 0 0 "[ . 1 . 2]" 1
489 1 41 ARG HA 1 42 PRO HD3 . . 3.300 2.891 2.485 3.296 . 0 0 "[ . 1 . 2]" 1
490 1 41 ARG HA 1 45 LEU QD . . 7.570 2.938 2.108 3.878 . 0 0 "[ . 1 . 2]" 1
491 1 41 ARG HA 1 60 LEU QD . . 7.400 4.331 3.033 5.106 . 0 0 "[ . 1 . 2]" 1
492 1 41 ARG QD 1 45 LEU QD . . 7.970 3.553 2.116 5.326 . 0 0 "[ . 1 . 2]" 1
493 1 42 PRO HA 1 43 ARG H . . 2.900 2.349 2.187 2.827 . 0 0 "[ . 1 . 2]" 1
494 1 42 PRO QB 1 44 PHE QR . . 8.280 2.661 2.161 3.332 . 0 0 "[ . 1 . 2]" 1
495 1 42 PRO QB 1 44 PHE HZ . . 4.680 3.266 2.679 4.229 . 0 0 "[ . 1 . 2]" 1
496 1 42 PRO HB2 1 44 PHE HZ . . 5.000 3.820 2.865 5.067 0.067 6 0 "[ . 1 . 2]" 1
497 1 42 PRO HB3 1 44 PHE HZ . . 5.000 3.635 2.980 5.064 0.064 7 0 "[ . 1 . 2]" 1
498 1 42 PRO QD 1 45 LEU QD . . 6.230 2.278 2.010 2.952 . 0 0 "[ . 1 . 2]" 1
499 1 42 PRO QD 1 60 LEU QD . . 7.980 4.698 3.998 5.230 . 0 0 "[ . 1 . 2]" 1
500 1 42 PRO HD2 1 45 LEU MD1 . . 7.750 2.836 2.245 4.791 . 0 0 "[ . 1 . 2]" 1
501 1 42 PRO HD2 1 45 LEU MD2 . . 7.750 2.911 2.044 4.606 . 0 0 "[ . 1 . 2]" 1
502 1 42 PRO HD3 1 45 LEU MD1 . . 7.750 4.167 3.606 6.023 . 0 0 "[ . 1 . 2]" 1
503 1 42 PRO HD3 1 45 LEU MD2 . . 7.750 4.228 3.343 5.710 . 0 0 "[ . 1 . 2]" 1
504 1 43 ARG H 1 43 ARG QB . . 3.800 2.371 2.145 2.747 . 0 0 "[ . 1 . 2]" 1
505 1 43 ARG H 1 44 PHE H . . 3.400 2.792 2.080 3.419 0.019 14 0 "[ . 1 . 2]" 1
506 1 43 ARG HA 1 45 LEU H . . 4.200 3.838 3.522 4.218 0.018 8 0 "[ . 1 . 2]" 1
507 1 44 PHE H 1 45 LEU H . . 3.500 2.893 1.739 3.352 . 0 0 "[ . 1 . 2]" 1
508 1 44 PHE HA 1 44 PHE HB2 . . 2.700 2.463 2.358 2.556 . 0 0 "[ . 1 . 2]" 1
509 1 44 PHE HA 1 44 PHE HB3 . . 2.700 2.373 2.306 2.478 . 0 0 "[ . 1 . 2]" 1
510 1 44 PHE HA 1 45 LEU H . . 3.600 3.029 2.783 3.268 . 0 0 "[ . 1 . 2]" 1
511 1 44 PHE HA 1 46 PRO HD2 . . 5.000 3.183 2.728 3.356 . 0 0 "[ . 1 . 2]" 1
512 1 44 PHE HA 1 46 PRO QD . . 4.310 3.140 2.692 3.311 . 0 0 "[ . 1 . 2]" 1
513 1 44 PHE HA 1 46 PRO HD3 . . 5.000 4.831 4.129 5.063 0.063 12 0 "[ . 1 . 2]" 1
514 1 44 PHE HA 1 47 GLU H . . 4.100 3.316 3.121 3.721 . 0 0 "[ . 1 . 2]" 1
515 1 44 PHE HA 1 47 GLU QB . . 5.680 3.351 2.794 3.720 . 0 0 "[ . 1 . 2]" 1
516 1 44 PHE HA 1 47 GLU HG2 . . 5.000 4.086 2.185 5.061 0.061 8 0 "[ . 1 . 2]" 1
517 1 44 PHE HA 1 47 GLU HG3 . . 5.000 3.700 2.268 5.070 0.070 20 0 "[ . 1 . 2]" 1
518 1 44 PHE HA 1 48 LEU H . . 5.000 4.371 4.010 4.646 . 0 0 "[ . 1 . 2]" 1
519 1 44 PHE QB 1 47 GLU H . . 4.280 3.695 3.551 3.812 . 0 0 "[ . 1 . 2]" 1
520 1 44 PHE QB 1 47 GLU QG . . 5.060 3.315 2.479 3.975 . 0 0 "[ . 1 . 2]" 1
521 1 44 PHE HB2 1 47 GLU HG2 . . 6.750 4.227 2.933 5.129 . 0 0 "[ . 1 . 2]" 1
522 1 44 PHE HB2 1 47 GLU HG3 . . 6.750 3.955 2.684 4.999 . 0 0 "[ . 1 . 2]" 1
523 1 44 PHE HB3 1 47 GLU HG2 . . 6.750 4.975 3.708 5.920 . 0 0 "[ . 1 . 2]" 1
524 1 44 PHE HB3 1 47 GLU HG3 . . 6.750 4.687 3.379 5.861 . 0 0 "[ . 1 . 2]" 1
525 1 44 PHE QR 1 48 LEU HB2 . . 7.400 2.268 2.080 2.750 . 0 0 "[ . 1 . 2]" 1
526 1 44 PHE QR 1 48 LEU HB3 . . 7.400 3.508 2.607 4.198 . 0 0 "[ . 1 . 2]" 1
527 1 44 PHE HZ 1 48 LEU QD . . 7.400 4.120 3.287 5.083 . 0 0 "[ . 1 . 2]" 1
528 1 45 LEU H 1 45 LEU HB2 . . 3.800 2.368 2.105 2.881 . 0 0 "[ . 1 . 2]" 1
529 1 45 LEU H 1 45 LEU QB . . 3.260 2.236 2.082 2.385 . 0 0 "[ . 1 . 2]" 1
530 1 45 LEU H 1 45 LEU HB3 . . 3.800 3.027 2.239 3.633 . 0 0 "[ . 1 . 2]" 1
531 1 45 LEU HA 1 48 LEU H . . 3.600 3.589 3.419 3.674 0.074 16 0 "[ . 1 . 2]" 1
532 1 45 LEU HA 1 49 ALA H . . 5.000 3.907 3.486 4.104 . 0 0 "[ . 1 . 2]" 1
533 1 45 LEU QB 1 46 PRO QD . . 4.500 2.147 2.058 2.343 . 0 0 "[ . 1 . 2]" 1
534 1 45 LEU QB 1 56 VAL HA . . 5.880 4.581 2.816 5.277 . 0 0 "[ . 1 . 2]" 1
535 1 45 LEU HB2 1 46 PRO HD2 . . 5.650 3.583 2.332 4.644 . 0 0 "[ . 1 . 2]" 1
536 1 45 LEU HB2 1 46 PRO HD3 . . 5.650 3.248 2.247 4.020 . 0 0 "[ . 1 . 2]" 1
537 1 45 LEU HB3 1 46 PRO HD2 . . 5.650 3.298 2.673 3.956 . 0 0 "[ . 1 . 2]" 1
538 1 45 LEU HB3 1 46 PRO HD3 . . 5.650 2.472 2.096 3.195 . 0 0 "[ . 1 . 2]" 1
539 1 45 LEU QD 1 46 PRO QD . . 6.490 3.392 2.801 3.818 . 0 0 "[ . 1 . 2]" 1
540 1 45 LEU QD 1 56 VAL HA . . 5.200 2.969 2.147 3.589 . 0 0 "[ . 1 . 2]" 1
541 1 45 LEU MD1 1 46 PRO HD2 . . 7.750 4.791 4.020 5.506 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU MD1 1 46 PRO HD3 . . 7.750 4.214 2.951 4.891 . 0 0 "[ . 1 . 2]" 1
543 1 45 LEU MD1 1 56 VAL HA . . 6.000 3.757 2.154 4.838 . 0 0 "[ . 1 . 2]" 1
544 1 45 LEU MD2 1 46 PRO HD2 . . 7.750 4.828 3.952 5.562 . 0 0 "[ . 1 . 2]" 1
545 1 45 LEU MD2 1 46 PRO HD3 . . 7.750 4.187 2.913 4.974 . 0 0 "[ . 1 . 2]" 1
546 1 45 LEU MD2 1 56 VAL HA . . 6.000 3.631 2.547 5.136 . 0 0 "[ . 1 . 2]" 1
547 1 46 PRO HA 1 49 ALA MB . . 3.700 2.363 2.100 2.650 . 0 0 "[ . 1 . 2]" 1
548 1 46 PRO QD 1 56 VAL MG1 . . 6.880 3.785 2.953 4.656 . 0 0 "[ . 1 . 2]" 1
549 1 47 GLU H 1 47 GLU QB . . 3.680 2.475 2.296 2.595 . 0 0 "[ . 1 . 2]" 1
550 1 47 GLU H 1 47 GLU HG2 . . 5.000 2.999 1.927 3.801 . 0 0 "[ . 1 . 2]" 1
551 1 47 GLU H 1 47 GLU QG . . 4.720 2.303 1.916 3.265 . 0 0 "[ . 1 . 2]" 1
552 1 47 GLU H 1 47 GLU HG3 . . 5.000 2.749 1.949 3.716 . 0 0 "[ . 1 . 2]" 1
553 1 47 GLU HA 1 47 GLU QG . . 3.590 2.612 2.355 3.254 . 0 0 "[ . 1 . 2]" 1
554 1 47 GLU HA 1 50 SER H . . 3.300 3.336 3.132 3.383 0.083 5 0 "[ . 1 . 2]" 1
555 1 47 GLU HG2 1 48 LEU H . . 5.000 4.698 3.796 5.071 0.071 3 0 "[ . 1 . 2]" 1
556 1 47 GLU HG3 1 48 LEU H . . 5.000 4.517 3.855 5.044 0.044 4 0 "[ . 1 . 2]" 1
557 1 48 LEU H 1 48 LEU QB . . 3.810 2.203 2.077 2.275 . 0 0 "[ . 1 . 2]" 1
558 1 48 LEU H 1 49 ALA H . . 3.100 2.682 2.523 2.805 . 0 0 "[ . 1 . 2]" 1
559 1 48 LEU QB 1 49 ALA H . . 3.910 2.479 2.239 2.702 . 0 0 "[ . 1 . 2]" 1
560 1 48 LEU QB 1 50 SER H . . 5.880 4.808 4.613 4.982 . 0 0 "[ . 1 . 2]" 1
561 1 48 LEU HB2 1 49 ALA H . . 4.600 3.677 3.295 3.992 . 0 0 "[ . 1 . 2]" 1
562 1 48 LEU HB3 1 49 ALA H . . 4.600 2.522 2.272 2.751 . 0 0 "[ . 1 . 2]" 1
563 1 49 ALA H 1 49 ALA MB . . 3.400 2.183 2.112 2.230 . 0 0 "[ . 1 . 2]" 1
564 1 49 ALA H 1 50 SER H . . 3.300 2.865 2.684 3.006 . 0 0 "[ . 1 . 2]" 1
565 1 49 ALA HA 1 50 SER H . . 3.600 3.609 3.562 3.648 0.048 13 0 "[ . 1 . 2]" 1
566 1 49 ALA HA 1 52 LEU H . . 4.200 3.882 3.345 4.257 0.057 13 0 "[ . 1 . 2]" 1
567 1 49 ALA MB 1 50 SER H . . 3.400 2.487 2.328 2.651 . 0 0 "[ . 1 . 2]" 1
568 1 49 ALA MB 1 55 SER HA . . 5.300 3.033 2.281 3.756 . 0 0 "[ . 1 . 2]" 1
569 1 49 ALA MB 1 56 VAL H . . 4.400 3.091 2.602 3.770 . 0 0 "[ . 1 . 2]" 1
570 1 49 ALA MB 1 56 VAL HA . . 4.000 2.634 2.164 2.908 . 0 0 "[ . 1 . 2]" 1
571 1 50 SER H 1 50 SER QB . . 3.600 2.435 2.055 2.938 . 0 0 "[ . 1 . 2]" 1
572 1 50 SER H 1 51 ALA H . . 2.700 2.720 2.556 2.773 0.073 8 0 "[ . 1 . 2]" 1
573 1 50 SER H 1 59 LEU MD1 . . 6.000 4.807 4.503 4.974 . 0 0 "[ . 1 . 2]" 1
574 1 50 SER HA 1 54 VAL H . . 3.900 3.818 3.551 3.977 0.077 14 0 "[ . 1 . 2]" 1
575 1 50 SER QB 1 51 ALA H . . 4.300 2.701 2.288 3.526 . 0 0 "[ . 1 . 2]" 1
576 1 51 ALA H 1 51 ALA HA . . 2.800 2.819 2.783 2.855 0.055 13 0 "[ . 1 . 2]" 1
577 1 51 ALA H 1 51 ALA MB . . 3.400 2.213 2.154 2.268 . 0 0 "[ . 1 . 2]" 1
578 1 51 ALA H 1 52 LEU H . . 2.800 2.834 2.755 2.871 0.071 5 0 "[ . 1 . 2]" 1
579 1 51 ALA MB 1 52 LEU H . . 3.800 2.426 2.173 2.809 . 0 0 "[ . 1 . 2]" 1
580 1 52 LEU H 1 52 LEU QB . . 3.500 2.168 1.970 2.400 . 0 0 "[ . 1 . 2]" 1
581 1 52 LEU H 1 52 LEU MD1 . . 5.600 3.914 3.660 4.250 . 0 0 "[ . 1 . 2]" 1
582 1 52 LEU H 1 52 LEU MD2 . . 4.600 3.736 3.460 3.842 . 0 0 "[ . 1 . 2]" 1
583 1 52 LEU H 1 52 LEU HG . . 4.400 3.462 2.445 4.483 0.083 7 0 "[ . 1 . 2]" 1
584 1 52 LEU H 1 53 GLY H . . 2.800 2.578 2.411 2.783 . 0 0 "[ . 1 . 2]" 1
585 1 52 LEU HA 1 52 LEU MD1 . . 4.700 3.090 1.935 3.839 . 0 0 "[ . 1 . 2]" 1
586 1 52 LEU HA 1 52 LEU MD2 . . 4.200 2.516 2.087 3.495 . 0 0 "[ . 1 . 2]" 1
587 1 52 LEU QB 1 54 VAL H . . 5.300 3.478 2.904 4.089 . 0 0 "[ . 1 . 2]" 1
588 1 52 LEU QB 1 54 VAL MG1 . . 7.000 3.255 2.268 4.634 . 0 0 "[ . 1 . 2]" 1
589 1 53 GLY H 1 54 VAL H . . 3.100 2.562 2.414 2.774 . 0 0 "[ . 1 . 2]" 1
590 1 54 VAL H 1 54 VAL MG1 . . 4.300 3.284 3.000 3.595 . 0 0 "[ . 1 . 2]" 1
591 1 54 VAL H 1 54 VAL MG2 . . 4.000 2.452 2.275 2.675 . 0 0 "[ . 1 . 2]" 1
592 1 54 VAL HA 1 54 VAL HB . . 2.400 2.446 2.336 2.487 0.087 13 0 "[ . 1 . 2]" 1
593 1 54 VAL HA 1 54 VAL MG1 . . 3.400 2.334 2.150 2.570 . 0 0 "[ . 1 . 2]" 1
594 1 54 VAL HA 1 55 SER H . . 2.700 2.550 2.446 2.762 0.062 4 0 "[ . 1 . 2]" 1
595 1 54 VAL HB 1 55 SER H . . 2.500 2.367 2.078 2.569 0.069 5 0 "[ . 1 . 2]" 1
596 1 54 VAL HB 1 58 TRP HB2 . . 5.000 3.930 3.033 5.035 0.035 18 0 "[ . 1 . 2]" 1
597 1 54 VAL HB 1 58 TRP HB3 . . 3.700 2.666 2.177 3.658 . 0 0 "[ . 1 . 2]" 1
598 1 54 VAL HB 1 58 TRP HE3 . . 3.000 2.636 2.324 2.875 . 0 0 "[ . 1 . 2]" 1
599 1 54 VAL HB 1 58 TRP HZ3 . . 5.000 4.131 3.616 4.466 . 0 0 "[ . 1 . 2]" 1
600 1 54 VAL MG1 1 55 SER H . . 5.700 3.702 3.321 4.047 . 0 0 "[ . 1 . 2]" 1
601 1 54 VAL MG1 1 58 TRP HE3 . . 4.000 3.172 3.031 3.221 . 0 0 "[ . 1 . 2]" 1
602 1 54 VAL MG1 1 58 TRP HH2 . . 6.000 3.568 3.196 4.043 . 0 0 "[ . 1 . 2]" 1
603 1 54 VAL MG1 1 58 TRP HZ3 . . 5.000 3.068 2.774 3.570 . 0 0 "[ . 1 . 2]" 1
604 1 54 VAL MG2 1 55 SER H . . 4.800 3.413 3.051 3.823 . 0 0 "[ . 1 . 2]" 1
605 1 54 VAL MG2 1 58 TRP HE3 . . 3.800 2.241 2.043 2.630 . 0 0 "[ . 1 . 2]" 1
606 1 54 VAL MG2 1 58 TRP HH2 . . 5.400 4.244 4.037 4.285 . 0 0 "[ . 1 . 2]" 1
607 1 54 VAL MG2 1 58 TRP HZ3 . . 3.400 2.426 2.179 2.521 . 0 0 "[ . 1 . 2]" 1
608 1 55 SER H 1 55 SER HB2 . . 3.700 3.479 2.464 3.721 0.021 4 0 "[ . 1 . 2]" 1
609 1 55 SER H 1 55 SER HB3 . . 3.300 2.908 2.753 3.392 0.092 8 0 "[ . 1 . 2]" 1
610 1 55 SER H 1 58 TRP HB3 . . 3.500 2.546 2.112 3.563 0.063 18 0 "[ . 1 . 2]" 1
611 1 55 SER HA 1 56 VAL H . . 2.500 2.304 2.217 2.386 . 0 0 "[ . 1 . 2]" 1
612 1 55 SER HA 1 57 ASP H . . 4.200 4.194 3.917 4.283 0.083 16 0 "[ . 1 . 2]" 1
613 1 55 SER HB2 1 56 VAL H . . 3.400 2.740 2.506 3.482 0.082 8 0 "[ . 1 . 2]" 1
614 1 55 SER HB2 1 57 ASP H . . 3.500 2.624 2.160 3.245 . 0 0 "[ . 1 . 2]" 1
615 1 55 SER HB3 1 56 VAL H . . 3.800 3.699 2.741 3.861 0.061 4 0 "[ . 1 . 2]" 1
616 1 56 VAL H 1 56 VAL HB . . 2.700 2.418 2.246 2.690 . 0 0 "[ . 1 . 2]" 1
617 1 56 VAL H 1 56 VAL MG1 . . 4.600 3.747 3.704 3.795 . 0 0 "[ . 1 . 2]" 1
618 1 56 VAL H 1 56 VAL MG2 . . 3.900 2.215 1.971 2.470 . 0 0 "[ . 1 . 2]" 1
619 1 56 VAL H 1 57 ASP H . . 3.100 2.667 2.425 2.817 . 0 0 "[ . 1 . 2]" 1
620 1 56 VAL HB 1 57 ASP H . . 3.000 2.513 2.308 2.868 . 0 0 "[ . 1 . 2]" 1
621 1 56 VAL MG1 1 57 ASP H . . 4.600 3.258 2.914 3.667 . 0 0 "[ . 1 . 2]" 1
622 1 56 VAL MG2 1 57 ASP H . . 4.900 3.857 3.462 4.082 . 0 0 "[ . 1 . 2]" 1
623 1 57 ASP H 1 57 ASP QB . . 3.500 2.396 2.148 2.803 . 0 0 "[ . 1 . 2]" 1
624 1 57 ASP H 1 58 TRP H . . 3.200 2.874 2.642 3.090 . 0 0 "[ . 1 . 2]" 1
625 1 57 ASP HA 1 60 LEU H . . 3.400 3.403 3.111 3.479 0.079 9 0 "[ . 1 . 2]" 1
626 1 57 ASP HA 1 60 LEU HB3 . . 3.000 2.597 2.155 3.038 0.038 4 0 "[ . 1 . 2]" 1
627 1 57 ASP HA 1 60 LEU QD . . 7.400 3.314 2.791 3.791 . 0 0 "[ . 1 . 2]" 1
628 1 57 ASP HA 1 61 ASN H . . 4.000 3.450 2.964 3.893 . 0 0 "[ . 1 . 2]" 1
629 1 58 TRP H 1 58 TRP HB2 . . 3.400 2.486 2.394 2.569 . 0 0 "[ . 1 . 2]" 1
630 1 58 TRP H 1 58 TRP HB3 . . 3.000 2.546 2.413 2.666 . 0 0 "[ . 1 . 2]" 1
631 1 58 TRP H 1 58 TRP HD1 . . 5.000 4.885 4.714 5.042 0.042 1 0 "[ . 1 . 2]" 1
632 1 58 TRP H 1 59 LEU H . . 3.300 2.854 2.712 3.087 . 0 0 "[ . 1 . 2]" 1
633 1 58 TRP HA 1 58 TRP HB2 . . 2.900 2.430 2.378 2.485 . 0 0 "[ . 1 . 2]" 1
634 1 58 TRP HA 1 58 TRP HB3 . . 3.000 3.028 3.012 3.059 0.059 18 0 "[ . 1 . 2]" 1
635 1 58 TRP HA 1 58 TRP HD1 . . 5.000 3.207 2.801 3.510 . 0 0 "[ . 1 . 2]" 1
636 1 58 TRP HA 1 62 GLY H . . 3.300 2.668 2.265 3.385 0.085 18 0 "[ . 1 . 2]" 1
637 1 58 TRP HA 1 63 THR H . . 3.700 2.703 1.869 3.780 0.080 20 0 "[ . 1 . 2]" 1
638 1 58 TRP HB2 1 59 LEU H . . 4.200 3.995 3.810 4.182 . 0 0 "[ . 1 . 2]" 1
639 1 58 TRP HB3 1 58 TRP HE3 . . 3.400 2.678 2.460 2.823 . 0 0 "[ . 1 . 2]" 1
640 1 58 TRP HB3 1 59 LEU H . . 3.500 2.729 2.505 3.022 . 0 0 "[ . 1 . 2]" 1
641 1 58 TRP HD1 1 63 THR HA . . 5.000 4.313 2.305 5.078 0.078 18 0 "[ . 1 . 2]" 1
642 1 58 TRP HE1 1 63 THR H . . 4.600 4.279 2.612 4.683 0.083 18 0 "[ . 1 . 2]" 1
643 1 58 TRP HE3 1 59 LEU HA . . 3.700 3.033 2.451 3.743 0.043 18 0 "[ . 1 . 2]" 1
644 1 58 TRP HE3 1 59 LEU HG . . 3.500 2.589 2.157 3.116 . 0 0 "[ . 1 . 2]" 1
645 1 58 TRP HZ3 1 59 LEU HA . . 5.000 3.942 3.181 5.027 0.027 9 0 "[ . 1 . 2]" 1
646 1 58 TRP HZ3 1 59 LEU MD1 . . 6.000 4.609 3.860 5.082 . 0 0 "[ . 1 . 2]" 1
647 1 58 TRP HZ3 1 59 LEU HG . . 5.000 3.843 3.103 4.472 . 0 0 "[ . 1 . 2]" 1
648 1 59 LEU H 1 59 LEU HB2 . . 2.900 2.334 2.141 2.589 . 0 0 "[ . 1 . 2]" 1
649 1 59 LEU H 1 59 LEU HB3 . . 3.700 3.598 3.485 3.686 . 0 0 "[ . 1 . 2]" 1
650 1 59 LEU H 1 59 LEU MD1 . . 5.500 3.581 3.149 3.782 . 0 0 "[ . 1 . 2]" 1
651 1 59 LEU H 1 59 LEU MD2 . . 4.800 3.775 3.448 4.081 . 0 0 "[ . 1 . 2]" 1
652 1 59 LEU H 1 59 LEU HG . . 3.500 2.614 2.303 2.922 . 0 0 "[ . 1 . 2]" 1
653 1 59 LEU H 1 60 LEU H . . 3.000 2.681 2.404 2.875 . 0 0 "[ . 1 . 2]" 1
654 1 59 LEU HA 1 59 LEU HB2 . . 2.900 2.982 2.976 2.989 0.089 17 0 "[ . 1 . 2]" 1
655 1 59 LEU HA 1 59 LEU HB3 . . 2.800 2.562 2.434 2.765 . 0 0 "[ . 1 . 2]" 1
656 1 59 LEU HA 1 59 LEU HG . . 3.000 2.853 2.386 3.065 0.065 2 0 "[ . 1 . 2]" 1
657 1 59 LEU HA 1 60 LEU H . . 3.600 3.546 3.487 3.590 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU HB2 1 60 LEU H . . 3.000 2.503 2.174 2.918 . 0 0 "[ . 1 . 2]" 1
659 1 59 LEU HB3 1 60 LEU H . . 3.300 3.309 3.083 3.383 0.083 19 0 "[ . 1 . 2]" 1
660 1 59 LEU MD2 1 60 LEU H . . 5.800 4.697 4.507 4.807 . 0 0 "[ . 1 . 2]" 1
661 1 60 LEU H 1 60 LEU HB2 . . 3.300 2.317 2.091 2.600 . 0 0 "[ . 1 . 2]" 1
662 1 60 LEU H 1 60 LEU HB3 . . 2.900 2.635 2.369 2.971 0.071 4 0 "[ . 1 . 2]" 1
663 1 60 LEU HA 1 60 LEU HG . . 3.300 2.859 2.337 3.353 0.053 14 0 "[ . 1 . 2]" 1
664 1 60 LEU HB2 1 61 ASN H . . 3.600 3.586 3.286 3.668 0.068 8 0 "[ . 1 . 2]" 1
665 1 60 LEU HB3 1 61 ASN H . . 3.200 2.219 2.000 2.413 . 0 0 "[ . 1 . 2]" 1
666 1 60 LEU QD 1 61 ASN H . . 7.400 3.481 2.633 3.884 . 0 0 "[ . 1 . 2]" 1
667 1 61 ASN H 1 61 ASN QB . . 3.900 2.467 1.967 3.163 . 0 0 "[ . 1 . 2]" 1
668 1 61 ASN H 1 61 ASN HD21 . . 5.000 3.744 2.352 4.850 . 0 0 "[ . 1 . 2]" 1
669 1 61 ASN H 1 61 ASN QD . . 4.820 3.537 2.314 4.409 . 0 0 "[ . 1 . 2]" 1
670 1 61 ASN H 1 61 ASN HD22 . . 5.000 4.498 3.211 5.100 0.100 18 0 "[ . 1 . 2]" 1
671 1 61 ASN H 1 62 GLY H . . 2.600 2.523 2.279 2.676 0.076 8 0 "[ . 1 . 2]" 1
672 1 61 ASN HA 1 61 ASN HD22 . . 5.000 4.518 3.121 5.099 0.099 10 0 "[ . 1 . 2]" 1
673 1 61 ASN HA 1 62 GLY H . . 3.600 3.594 3.531 3.625 0.025 16 0 "[ . 1 . 2]" 1
674 1 61 ASN QD 1 62 GLY H . . 5.870 4.075 2.562 5.186 . 0 0 "[ . 1 . 2]" 1
675 1 62 GLY H 1 63 THR H . . 3.500 3.129 1.908 3.578 0.078 8 0 "[ . 1 . 2]" 1
676 1 62 GLY QA 1 63 THR MG . . 6.180 3.701 2.949 4.451 . 0 0 "[ . 1 . 2]" 1
677 1 62 GLY HA2 1 63 THR H . . 3.500 2.373 2.025 3.482 . 0 0 "[ . 1 . 2]" 1
678 1 62 GLY HA3 1 63 THR H . . 3.500 3.401 3.186 3.570 0.070 18 0 "[ . 1 . 2]" 1
679 1 63 THR H 1 63 THR HA . . 2.900 2.685 2.125 2.960 0.060 4 0 "[ . 1 . 2]" 1
680 1 63 THR H 1 63 THR HB . . 3.800 3.296 2.631 3.882 0.082 8 0 "[ . 1 . 2]" 1
681 1 63 THR H 1 63 THR MG . . 4.700 2.856 2.142 3.944 . 0 0 "[ . 1 . 2]" 1
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