NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
372340 |
1d9a   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d9a
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 539
_Distance_constraint_stats_list.Viol_count 43
_Distance_constraint_stats_list.Viol_total 3.453
_Distance_constraint_stats_list.Viol_max 0.361
_Distance_constraint_stats_list.Viol_rms 0.0306
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0803
_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 ASP 0.000 0.000 . 0 "[ ]"
1 2 ALA 0.000 0.000 . 0 "[ ]"
1 3 ASN 0.009 0.009 1 0 "[ ]"
1 4 LEU 0.127 0.088 1 0 "[ ]"
1 5 TYR 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 7 SER 0.027 0.027 1 0 "[ ]"
1 8 GLY 0.000 0.000 . 0 "[ ]"
1 9 LEU 0.000 0.000 . 0 "[ ]"
1 10 PRO 0.008 0.008 1 0 "[ ]"
1 11 LYS 0.042 0.034 1 0 "[ ]"
1 12 THR 0.000 0.000 . 0 "[ ]"
1 13 MET 0.034 0.034 1 0 "[ ]"
1 14 SER 0.000 0.000 . 0 "[ ]"
1 15 GLN 0.073 0.073 1 0 "[ ]"
1 16 LYS 0.180 0.180 1 0 "[ ]"
1 17 GLU 0.059 0.059 1 0 "[ ]"
1 18 MET 0.073 0.073 1 0 "[ ]"
1 19 GLU 0.259 0.180 1 0 "[ ]"
1 20 GLN 0.059 0.059 1 0 "[ ]"
1 21 LEU 0.191 0.110 1 0 "[ ]"
1 22 PHE 0.345 0.116 1 0 "[ ]"
1 23 SER 0.268 0.158 1 0 "[ ]"
1 24 GLN 0.000 0.000 . 0 "[ ]"
1 25 TYR 0.048 0.048 1 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.000 0.000 . 0 "[ ]"
1 28 ILE 0.273 0.158 1 0 "[ ]"
1 29 ILE 0.028 0.028 1 0 "[ ]"
1 30 THR 0.072 0.072 1 0 "[ ]"
1 31 SER 0.118 0.118 1 0 "[ ]"
1 32 ARG 0.104 0.104 1 0 "[ ]"
1 33 ILE 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.000 0.000 . 0 "[ ]"
1 35 LEU 0.425 0.351 1 0 "[ ]"
1 36 ASP 0.572 0.361 1 0 "[ ]"
1 37 GLN 0.000 0.000 . 0 "[ ]"
1 38 ALA 0.000 0.000 . 0 "[ ]"
1 39 THR 0.000 0.000 . 0 "[ ]"
1 40 GLY 0.000 0.000 . 0 "[ ]"
1 41 VAL 0.370 0.174 1 0 "[ ]"
1 42 SER 0.519 0.361 1 0 "[ ]"
1 43 ARG 0.425 0.351 1 0 "[ ]"
1 44 GLY 0.000 0.000 . 0 "[ ]"
1 45 VAL 0.031 0.018 1 0 "[ ]"
1 46 GLY 0.031 0.018 1 0 "[ ]"
1 47 PHE 0.132 0.132 1 0 "[ ]"
1 48 ILE 0.384 0.132 1 0 "[ ]"
1 49 ARG 0.081 0.072 1 0 "[ ]"
1 50 PHE 0.102 0.048 1 0 "[ ]"
1 51 ASP 0.039 0.039 1 0 "[ ]"
1 52 LYS 0.039 0.039 1 0 "[ ]"
1 53 ARG 0.000 0.000 . 0 "[ ]"
1 54 ILE 0.060 0.060 1 0 "[ ]"
1 55 GLU 0.020 0.020 1 0 "[ ]"
1 56 ALA 0.092 0.072 1 0 "[ ]"
1 57 GLU 0.033 0.033 1 0 "[ ]"
1 58 GLU 0.060 0.060 1 0 "[ ]"
1 59 ALA 0.000 0.000 . 0 "[ ]"
1 60 ILE 0.193 0.088 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.105 0.081 1 0 "[ ]"
1 64 ASN 0.081 0.081 1 0 "[ ]"
1 65 GLY 0.000 0.000 . 0 "[ ]"
1 66 GLN 0.022 0.022 1 0 "[ ]"
1 67 LYS 0.022 0.022 1 0 "[ ]"
1 68 PRO 0.094 0.094 1 0 "[ ]"
1 69 LEU 0.184 0.094 1 0 "[ ]"
1 70 GLY 0.000 0.000 . 0 "[ ]"
1 71 ALA 0.090 0.090 1 0 "[ ]"
1 72 ALA 0.000 0.000 . 0 "[ ]"
1 73 GLU 0.000 0.000 . 0 "[ ]"
1 74 PRO 0.085 0.085 1 0 "[ ]"
1 75 ILE 0.085 0.085 1 0 "[ ]"
1 76 THR 0.027 0.027 1 0 "[ ]"
1 77 VAL 0.047 0.047 1 0 "[ ]"
1 78 LYS 0.000 0.000 . 0 "[ ]"
1 79 PHE 0.016 0.016 1 0 "[ ]"
1 80 ALA 0.000 0.000 . 0 "[ ]"
1 81 ASN 0.016 0.016 1 0 "[ ]"
1 82 ASN 0.000 0.000 . 0 "[ ]"
1 84 SER 0.000 0.000 . 0 "[ ]"
1 85 GLN 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 3 ASN H 2.600 . 3.500 3.361 3.361 3.361 . 0 0 "[ ]" 1
2 1 8 GLY H 1 9 LEU H 2.600 . 3.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
3 1 11 LYS H 1 12 THR H 2.600 . 3.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
4 1 12 THR H 1 13 MET H 2.600 . 3.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
5 1 13 MET H 1 14 SER H 3.400 . 5.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
6 1 15 GLN H 1 16 LYS H 2.600 . 3.500 2.930 2.930 2.930 . 0 0 "[ ]" 1
7 1 16 LYS H 1 17 GLU H 2.600 . 3.500 2.579 2.579 2.579 . 0 0 "[ ]" 1
8 1 17 GLU H 1 18 MET H 2.600 . 3.500 2.552 2.552 2.552 . 0 0 "[ ]" 1
9 1 18 MET H 1 19 GLU H 2.600 . 3.500 2.368 2.368 2.368 . 0 0 "[ ]" 1
10 1 19 GLU H 1 20 GLN H 2.600 . 3.500 2.476 2.476 2.476 . 0 0 "[ ]" 1
11 1 20 GLN H 1 21 LEU H 2.600 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
12 1 21 LEU H 1 22 PHE H 2.600 . 3.500 2.562 2.562 2.562 . 0 0 "[ ]" 1
13 1 22 PHE H 1 23 SER H 2.100 . 2.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
14 1 23 SER H 1 24 GLN H 2.600 . 3.500 2.551 2.551 2.551 . 0 0 "[ ]" 1
15 1 24 GLN H 1 25 TYR H 2.600 . 3.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
16 1 25 TYR H 1 26 GLY H 2.600 . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
17 1 29 ILE H 1 30 THR H 2.600 . 3.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
18 1 37 GLN H 1 38 ALA H 2.600 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
19 1 38 ALA H 1 39 THR H 2.100 . 2.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
20 1 39 THR H 1 40 GLY H 2.100 . 2.500 2.153 2.153 2.153 . 0 0 "[ ]" 1
21 1 40 GLY H 1 41 VAL H 2.600 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
22 1 43 ARG H 1 44 GLY H 2.600 . 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 1
23 1 44 GLY H 1 45 VAL H 2.600 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1
24 1 51 ASP H 1 52 LYS H 2.600 . 3.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
25 1 53 ARG H 1 54 ILE H 2.600 . 3.500 2.545 2.545 2.545 . 0 0 "[ ]" 1
26 1 54 ILE H 1 55 GLU H 2.600 . 3.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
27 1 55 GLU H 1 56 ALA H 2.100 . 2.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
28 1 56 ALA H 1 57 GLU H 2.600 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
29 1 57 GLU H 1 58 GLU H 2.600 . 3.500 2.582 2.582 2.582 . 0 0 "[ ]" 1
30 1 58 GLU H 1 59 ALA H 2.600 . 3.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
31 1 60 ILE H 1 61 LYS H 2.600 . 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 1
32 1 61 LYS H 1 62 GLY H 2.600 . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
33 1 62 GLY H 1 63 LEU H 2.600 . 3.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
34 1 63 LEU H 1 64 ASN H 2.100 . 2.500 2.060 2.060 2.060 . 0 0 "[ ]" 1
35 1 65 GLY H 1 66 GLN H 2.600 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
36 1 70 GLY H 1 71 ALA H 2.600 . 3.500 3.204 3.204 3.204 . 0 0 "[ ]" 1
37 1 72 ALA H 1 73 GLU H 2.100 . 2.500 1.872 1.872 1.872 . 0 0 "[ ]" 1
38 1 81 ASN H 1 82 ASN H 2.600 . 3.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
39 1 84 SER H 1 85 GLN H 2.600 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
40 1 3 ASN HA 1 4 LEU H 2.100 . 2.500 2.480 2.480 2.480 . 0 0 "[ ]" 1
41 1 4 LEU HA 1 5 TYR H 2.600 . 3.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
42 1 5 TYR HA 1 6 VAL H 2.600 . 3.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
43 1 6 VAL HA 1 7 SER H 2.100 . 2.500 2.213 2.213 2.213 . 0 0 "[ ]" 1
44 1 7 SER HA 1 8 GLY H 2.600 . 3.500 2.533 2.533 2.533 . 0 0 "[ ]" 1
45 1 10 PRO HA 1 11 LYS H 2.100 . 2.500 2.508 2.508 2.508 0.008 1 0 "[ ]" 1
46 1 11 LYS HA 1 12 THR H 3.400 . 5.000 3.434 3.434 3.434 . 0 0 "[ ]" 1
47 1 13 MET HA 1 14 SER H 2.100 . 2.500 2.207 2.207 2.207 . 0 0 "[ ]" 1
48 1 14 SER HA 1 15 GLN H 2.100 . 2.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
49 1 15 GLN HA 1 16 LYS H 3.400 . 5.000 3.596 3.596 3.596 . 0 0 "[ ]" 1
50 1 26 GLY QA 1 27 ARG H 3.100 . 4.500 2.184 2.184 2.184 . 0 0 "[ ]" 1
51 1 27 ARG HA 1 28 ILE H 2.100 . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 1
52 1 28 ILE HA 1 29 ILE H 2.100 . 2.500 2.310 2.310 2.310 . 0 0 "[ ]" 1
53 1 30 THR HA 1 31 SER H 2.100 . 2.500 2.210 2.210 2.210 . 0 0 "[ ]" 1
54 1 31 SER HA 1 32 ARG H 2.100 . 2.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
55 1 32 ARG HA 1 33 ILE H 2.100 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
56 1 33 ILE HA 1 34 LEU H 2.100 . 2.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
57 1 34 LEU HA 1 35 LEU H 2.100 . 2.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
58 1 35 LEU HA 1 36 ASP H 2.100 . 2.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
59 1 36 ASP HA 1 37 GLN H 2.100 . 2.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
60 1 37 GLN HA 1 38 ALA H 2.600 . 3.500 2.595 2.595 2.595 . 0 0 "[ ]" 1
61 1 39 THR HA 1 40 GLY H 2.600 . 3.500 3.125 3.125 3.125 . 0 0 "[ ]" 1
62 1 41 VAL HA 1 42 SER H 2.100 . 2.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
63 1 42 SER HA 1 43 ARG H 2.600 . 3.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
64 1 45 VAL HA 1 46 GLY H 2.100 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 1
65 1 46 GLY HA3 1 47 PHE H 2.600 . 3.500 3.302 3.302 3.302 . 0 0 "[ ]" 1
66 1 46 GLY HA2 1 47 PHE H 2.600 . 3.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
67 1 47 PHE HA 1 48 ILE H 2.100 . 2.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
68 1 48 ILE HA 1 49 ARG H 2.100 . 2.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
69 1 49 ARG HA 1 50 PHE H 2.100 . 2.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
70 1 50 PHE HA 1 51 ASP H 2.100 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
71 1 52 LYS HA 1 53 ARG H 2.100 . 2.500 2.318 2.318 2.318 . 0 0 "[ ]" 1
72 1 55 GLU HA 1 56 ALA H 2.600 . 3.500 3.520 3.520 3.520 0.020 1 0 "[ ]" 1
73 1 64 ASN HA 1 65 GLY H 2.100 . 2.500 2.250 2.250 2.250 . 0 0 "[ ]" 1
74 1 65 GLY HA3 1 66 GLN H 3.400 . 5.000 2.286 2.286 2.286 . 0 0 "[ ]" 1
75 1 66 GLN HA 1 67 LYS H 2.100 . 2.500 2.522 2.522 2.522 0.022 1 0 "[ ]" 1
76 1 68 PRO HA 1 69 LEU H 2.100 . 2.500 2.594 2.594 2.594 0.094 1 0 "[ ]" 1
77 1 74 PRO HA 1 75 ILE H 2.100 . 2.500 2.585 2.585 2.585 0.085 1 0 "[ ]" 1
78 1 76 THR HA 1 77 VAL H 2.100 . 2.500 2.375 2.375 2.375 . 0 0 "[ ]" 1
79 1 78 LYS HA 1 79 PHE H 2.100 . 2.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
80 1 79 PHE HA 1 80 ALA H 2.600 . 3.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
81 1 80 ALA HA 1 81 ASN H 2.100 . 2.500 2.214 2.214 2.214 . 0 0 "[ ]" 1
82 1 1 ASP QB 1 2 ALA H 3.100 . 4.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
83 1 2 ALA MB 1 3 ASN H 3.100 . 4.500 3.730 3.730 3.730 . 0 0 "[ ]" 1
84 1 3 ASN HB3 1 4 LEU H 3.400 . 5.000 3.854 3.854 3.854 . 0 0 "[ ]" 1
85 1 4 LEU HB3 1 5 TYR H 2.600 . 3.500 2.659 2.659 2.659 . 0 0 "[ ]" 1
86 1 4 LEU MD2 1 5 TYR H 3.100 . 4.500 2.938 2.938 2.938 . 0 0 "[ ]" 1
87 1 5 TYR QD 1 6 VAL H 3.600 . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
88 1 5 TYR HB3 1 6 VAL H 3.400 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
89 1 6 VAL MG1 1 7 SER H 3.100 . 4.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
90 1 7 SER HB2 1 8 GLY H 2.600 . 3.500 2.251 2.251 2.251 . 0 0 "[ ]" 1
91 1 10 PRO QB 1 11 LYS H 3.100 . 4.500 2.535 2.535 2.535 . 0 0 "[ ]" 1
92 1 11 LYS QB 1 12 THR H 3.100 . 4.500 3.111 3.111 3.111 . 0 0 "[ ]" 1
93 1 13 MET QB 1 14 SER H 3.100 . 4.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
94 1 13 MET QG 1 14 SER H 3.100 . 4.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
95 1 15 GLN QG 1 16 LYS H 3.100 . 4.500 3.738 3.738 3.738 . 0 0 "[ ]" 1
96 1 16 LYS QB 1 17 GLU H 3.100 . 4.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
97 1 17 GLU QB 1 18 MET H 2.600 . 3.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
98 1 18 MET QB 1 19 GLU H 2.600 . 3.500 2.965 2.965 2.965 . 0 0 "[ ]" 1
99 1 20 GLN QB 1 21 LEU H 3.100 . 4.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
100 1 21 LEU HB2 1 22 PHE H 2.600 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
101 1 21 LEU HB3 1 22 PHE H 2.600 . 3.500 2.477 2.477 2.477 . 0 0 "[ ]" 1
102 1 21 LEU MD2 1 22 PHE H 3.900 . 6.000 4.040 4.040 4.040 . 0 0 "[ ]" 1
103 1 22 PHE HB2 1 23 SER H 2.600 . 3.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
104 1 24 GLN QB 1 25 TYR H 3.900 . 6.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
105 1 24 GLN QG 1 25 TYR H 3.100 . 4.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
106 1 25 TYR HB3 1 26 GLY H 3.400 . 5.000 3.642 3.642 3.642 . 0 0 "[ ]" 1
107 1 27 ARG QB 1 28 ILE H 3.100 . 4.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
108 1 28 ILE MG 1 29 ILE H 3.100 . 4.500 1.972 1.972 1.972 . 0 0 "[ ]" 1
109 1 29 ILE HB 1 30 THR H 2.600 . 3.500 1.857 1.857 1.857 . 0 0 "[ ]" 1
110 1 29 ILE MG 1 30 THR H 2.600 . 3.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
111 1 30 THR HB 1 31 SER H 2.600 . 3.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
112 1 35 LEU QB 1 36 ASP H 3.100 . 4.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
113 1 35 LEU QD 1 36 ASP H 3.900 . 6.000 2.246 2.246 2.246 . 0 0 "[ ]" 1
114 1 37 GLN QB 1 38 ALA H 3.100 . 4.500 3.992 3.992 3.992 . 0 0 "[ ]" 1
115 1 38 ALA MB 1 39 THR H 3.100 . 4.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
116 1 39 THR MG 1 40 GLY H 3.900 . 6.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
117 1 41 VAL HB 1 42 SER H 2.600 . 3.500 3.659 3.659 3.659 0.159 1 0 "[ ]" 1
118 1 41 VAL MG2 1 42 SER H 3.100 . 4.500 3.928 3.928 3.928 . 0 0 "[ ]" 1
119 1 41 VAL MG1 1 42 SER H 2.600 . 3.500 2.046 2.046 2.046 . 0 0 "[ ]" 1
120 1 42 SER QB 1 43 ARG H 3.100 . 4.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
121 1 43 ARG QB 1 44 GLY H 3.100 . 4.500 2.329 2.329 2.329 . 0 0 "[ ]" 1
122 1 43 ARG QG 1 44 GLY H 3.900 . 6.000 4.195 4.195 4.195 . 0 0 "[ ]" 1
123 1 45 VAL HB 1 46 GLY H 2.600 . 3.500 3.269 3.269 3.269 . 0 0 "[ ]" 1
124 1 45 VAL MG1 1 46 GLY H 3.100 . 4.500 1.782 1.782 1.782 0.018 1 0 "[ ]" 1
125 1 47 PHE QD 1 48 ILE H 3.600 . 5.500 3.895 3.895 3.895 . 0 0 "[ ]" 1
126 1 47 PHE HB2 1 48 ILE H 2.600 . 3.500 3.632 3.632 3.632 0.132 1 0 "[ ]" 1
127 1 47 PHE HB3 1 48 ILE H 2.600 . 3.500 2.437 2.437 2.437 . 0 0 "[ ]" 1
128 1 48 ILE MG 1 49 ARG H 3.100 . 4.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
129 1 49 ARG QB 1 50 PHE H 3.100 . 4.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
130 1 50 PHE QD 1 51 ASP H 3.600 . 5.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
131 1 50 PHE HB3 1 51 ASP H 2.600 . 3.500 2.680 2.680 2.680 . 0 0 "[ ]" 1
132 1 51 ASP HB2 1 52 LYS H 2.600 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
133 1 51 ASP HB3 1 52 LYS H 2.100 . 2.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
134 1 52 LYS QB 1 53 ARG H 3.100 . 4.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
135 1 53 ARG QB 1 54 ILE H 3.100 . 4.500 3.600 3.600 3.600 . 0 0 "[ ]" 1
136 1 53 ARG QG 1 54 ILE H 3.100 . 4.500 1.976 1.976 1.976 . 0 0 "[ ]" 1
137 1 54 ILE HB 1 55 GLU H 3.400 . 5.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
138 1 54 ILE MG 1 55 GLU H 3.100 . 4.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
139 1 54 ILE QG 1 55 GLU H 3.900 . 6.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
140 1 55 GLU HB3 1 56 ALA H 2.600 . 3.500 2.774 2.774 2.774 . 0 0 "[ ]" 1
141 1 56 ALA MB 1 57 GLU H 3.100 . 4.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
142 1 59 ALA MB 1 60 ILE H 2.600 . 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 1
143 1 60 ILE MG 1 61 LYS H 3.100 . 4.500 3.517 3.517 3.517 . 0 0 "[ ]" 1
144 1 61 LYS QB 1 62 GLY H 3.100 . 4.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
145 1 63 LEU HB2 1 64 ASN H 2.100 . 2.500 2.581 2.581 2.581 0.081 1 0 "[ ]" 1
146 1 66 GLN QB 1 67 LYS H 3.100 . 4.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
147 1 68 PRO QB 1 69 LEU H 3.100 . 4.500 2.257 2.257 2.257 . 0 0 "[ ]" 1
148 1 68 PRO QG 1 69 LEU H 3.100 . 4.500 4.018 4.018 4.018 . 0 0 "[ ]" 1
149 1 69 LEU QB 1 70 GLY H 2.600 . 3.500 2.559 2.559 2.559 . 0 0 "[ ]" 1
150 1 69 LEU QD 1 70 GLY H 3.900 . 6.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
151 1 72 ALA MB 1 73 GLU H 2.600 . 3.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
152 1 74 PRO QB 1 75 ILE H 3.100 . 4.500 2.252 2.252 2.252 . 0 0 "[ ]" 1
153 1 75 ILE MD 1 76 THR H 3.100 . 4.500 3.677 3.677 3.677 . 0 0 "[ ]" 1
154 1 76 THR MG 1 77 VAL H 3.100 . 4.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
155 1 77 VAL MG2 1 78 LYS H 3.100 . 4.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
156 1 79 PHE QD 1 80 ALA H 3.600 . 5.500 3.173 3.173 3.173 . 0 0 "[ ]" 1
157 1 79 PHE HB3 1 80 ALA H 2.600 . 3.500 3.126 3.126 3.126 . 0 0 "[ ]" 1
158 1 80 ALA MB 1 81 ASN H 3.100 . 4.500 3.419 3.419 3.419 . 0 0 "[ ]" 1
159 1 5 TYR QD 1 6 VAL MG2 4.900 . 8.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
160 1 7 SER HA 1 8 GLY HA2 3.400 . 5.000 4.717 4.717 4.717 . 0 0 "[ ]" 1
161 1 9 LEU QB 1 10 PRO QD 4.400 . 7.000 1.940 1.940 1.940 . 0 0 "[ ]" 1
162 1 9 LEU MD1 1 10 PRO QD 4.400 . 7.000 3.918 3.918 3.918 . 0 0 "[ ]" 1
163 1 9 LEU MD2 1 10 PRO QD 3.600 . 5.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
164 1 9 LEU HA 1 10 PRO QD 3.100 . 4.500 1.908 1.908 1.908 . 0 0 "[ ]" 1
165 1 21 LEU HB2 1 22 PHE QD 3.600 . 5.500 3.539 3.539 3.539 . 0 0 "[ ]" 1
166 1 21 LEU HB3 1 22 PHE QD 3.600 . 5.500 1.964 1.964 1.964 . 0 0 "[ ]" 1
167 1 21 LEU MD2 1 22 PHE QD 4.200 . 6.500 3.027 3.027 3.027 . 0 0 "[ ]" 1
168 1 21 LEU HB3 1 22 PHE QE 4.400 . 7.000 2.841 2.841 2.841 . 0 0 "[ ]" 1
169 1 21 LEU MD2 1 22 PHE QE 4.200 . 6.500 2.172 2.172 2.172 . 0 0 "[ ]" 1
170 1 28 ILE MG 1 29 ILE HA 3.900 . 6.000 3.724 3.724 3.724 . 0 0 "[ ]" 1
171 1 54 ILE MG 1 55 GLU HA 3.100 . 4.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
172 1 67 LYS HA 1 68 PRO QD 3.100 . 4.500 1.891 1.891 1.891 . 0 0 "[ ]" 1
173 1 73 GLU HA 1 74 PRO QD 2.600 . 3.500 3.378 3.378 3.378 . 0 0 "[ ]" 1
174 1 73 GLU HA 1 74 PRO QG 3.900 . 6.000 5.240 5.240 5.240 . 0 0 "[ ]" 1
175 1 2 ALA MB 1 50 PHE HB3 3.100 . 4.500 3.504 3.504 3.504 . 0 0 "[ ]" 1
176 1 2 ALA MB 1 52 LYS HA 3.900 . 6.000 3.544 3.544 3.544 . 0 0 "[ ]" 1
177 1 2 ALA MB 1 53 ARG HA 2.600 . 3.500 1.910 1.910 1.910 . 0 0 "[ ]" 1
178 1 3 ASN HB3 1 49 ARG HA 3.400 . 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
179 1 4 LEU H 1 48 ILE HB 3.400 . 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
180 1 4 LEU H 1 48 ILE H 2.600 . 3.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
181 1 4 LEU H 1 48 ILE MG 3.900 . 6.000 4.437 4.437 4.437 . 0 0 "[ ]" 1
182 1 4 LEU HB3 1 48 ILE HB 2.600 . 3.500 2.885 2.885 2.885 . 0 0 "[ ]" 1
183 1 4 LEU H 1 49 ARG HA 2.600 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
184 1 4 LEU MD2 1 56 ALA HA 3.100 . 4.500 3.331 3.331 3.331 . 0 0 "[ ]" 1
185 1 4 LEU MD2 1 56 ALA MB 3.600 . 5.500 1.846 1.846 1.846 . 0 0 "[ ]" 1
186 1 4 LEU MD2 1 59 ALA MB 4.400 . 7.000 4.357 4.357 4.357 . 0 0 "[ ]" 1
187 1 4 LEU MD2 1 60 ILE QG 3.600 . 5.500 2.036 2.036 2.036 . 0 0 "[ ]" 1
188 1 4 LEU MD2 1 77 VAL MG2 3.100 . 4.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
189 1 4 LEU MD2 1 78 LYS HA 3.900 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
190 1 4 LEU MD2 1 79 PHE HA 3.100 . 4.500 2.393 2.393 2.393 . 0 0 "[ ]" 1
191 1 4 LEU MD2 1 79 PHE HB2 3.900 . 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
192 1 4 LEU MD2 1 79 PHE HB3 3.900 . 6.000 4.216 4.216 4.216 . 0 0 "[ ]" 1
193 1 4 LEU H 1 80 ALA MB 3.900 . 6.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
194 1 5 TYR QE 1 7 SER HA 4.400 . 7.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
195 1 5 TYR QE 1 7 SER HB3 3.600 . 5.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
196 1 5 TYR QE 1 7 SER HB2 3.600 . 5.500 3.821 3.821 3.821 . 0 0 "[ ]" 1
197 1 5 TYR QD 1 45 VAL HB 3.600 . 5.500 4.532 4.532 4.532 . 0 0 "[ ]" 1
198 1 5 TYR QD 1 45 VAL MG1 4.200 . 6.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
199 1 5 TYR QD 1 47 PHE HA 4.400 . 7.000 4.949 4.949 4.949 . 0 0 "[ ]" 1
200 1 5 TYR H 1 77 VAL MG2 3.900 . 6.000 3.352 3.352 3.352 . 0 0 "[ ]" 1
201 1 5 TYR QD 1 78 LYS QB 4.900 . 8.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
202 1 5 TYR QD 1 80 ALA HA 4.400 . 7.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
203 1 5 TYR QD 1 80 ALA MB 4.200 . 6.500 3.154 3.154 3.154 . 0 0 "[ ]" 1
204 1 5 TYR H 1 80 ALA HA 3.400 . 5.000 4.337 4.337 4.337 . 0 0 "[ ]" 1
205 1 5 TYR H 1 80 ALA H 3.400 . 5.000 3.455 3.455 3.455 . 0 0 "[ ]" 1
206 1 5 TYR HB3 1 80 ALA HA 2.600 . 3.500 2.305 2.305 2.305 . 0 0 "[ ]" 1
207 1 6 VAL H 1 47 PHE HA 2.600 . 3.500 3.092 3.092 3.092 . 0 0 "[ ]" 1
208 1 6 VAL MG1 1 75 ILE HB 3.100 . 4.500 2.912 2.912 2.912 . 0 0 "[ ]" 1
209 1 6 VAL MG1 1 77 VAL HB 3.100 . 4.500 1.899 1.899 1.899 . 0 0 "[ ]" 1
210 1 6 VAL MG2 1 77 VAL HB 3.100 . 4.500 1.942 1.942 1.942 . 0 0 "[ ]" 1
211 1 7 SER HB3 1 45 VAL HA 3.400 . 5.000 3.859 3.859 3.859 . 0 0 "[ ]" 1
212 1 7 SER HB2 1 45 VAL HA 3.400 . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
213 1 7 SER H 1 76 THR HB 2.600 . 3.500 2.936 2.936 2.936 . 0 0 "[ ]" 1
214 1 7 SER H 1 76 THR H 2.600 . 3.500 3.527 3.527 3.527 0.027 1 0 "[ ]" 1
215 1 7 SER H 1 76 THR MG 3.900 . 6.000 3.938 3.938 3.938 . 0 0 "[ ]" 1
216 1 8 GLY H 1 45 VAL MG1 3.900 . 6.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
217 1 8 GLY H 1 45 VAL MG2 3.100 . 4.500 3.184 3.184 3.184 . 0 0 "[ ]" 1
218 1 7 SER HA 1 9 LEU H 2.600 . 3.500 3.402 3.402 3.402 . 0 0 "[ ]" 1
219 1 9 LEU HG 1 44 GLY QA 3.900 . 6.000 4.794 4.794 4.794 . 0 0 "[ ]" 1
220 1 9 LEU H 1 44 GLY QA 3.900 . 6.000 4.063 4.063 4.063 . 0 0 "[ ]" 1
221 1 9 LEU QB 1 44 GLY QA 3.600 . 5.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
222 1 9 LEU H 1 45 VAL HA 3.400 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
223 1 9 LEU MD1 1 45 VAL HA 3.100 . 4.500 2.385 2.385 2.385 . 0 0 "[ ]" 1
224 1 10 PRO QB 1 12 THR H 3.100 . 4.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
225 1 10 PRO QB 1 13 MET H 3.100 . 4.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
226 1 10 PRO QD 1 13 MET ME 3.600 . 5.500 3.667 3.667 3.667 . 0 0 "[ ]" 1
227 1 11 LYS HA 1 13 MET H 2.600 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
228 1 13 MET ME 1 18 MET HA 3.100 . 4.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
229 1 14 SER H 1 17 GLU H 3.400 . 5.000 4.007 4.007 4.007 . 0 0 "[ ]" 1
230 1 14 SER H 1 17 GLU QB 3.100 . 4.500 2.129 2.129 2.129 . 0 0 "[ ]" 1
231 1 15 GLN H 1 18 MET QB 3.900 . 6.000 5.118 5.118 5.118 . 0 0 "[ ]" 1
232 1 15 GLN QG 1 32 ARG HA 3.100 . 4.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
233 1 15 GLN H 1 33 ILE MD 3.100 . 4.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
234 1 13 MET QG 1 18 MET H 3.900 . 6.000 4.297 4.297 4.297 . 0 0 "[ ]" 1
235 1 13 MET QG 1 18 MET QB 4.400 . 7.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
236 1 15 GLN HA 1 18 MET H 2.600 . 3.500 3.573 3.573 3.573 0.073 1 0 "[ ]" 1
237 1 18 MET H 1 33 ILE MD 3.100 . 4.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
238 1 18 MET ME 1 46 GLY HA3 2.600 . 3.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
239 1 18 MET ME 1 46 GLY HA2 3.100 . 4.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
240 1 16 LYS HA 1 19 GLU H 2.100 . 2.500 2.680 2.680 2.680 0.180 1 0 "[ ]" 1
241 1 17 GLU HA 1 20 GLN H 2.600 . 3.500 3.559 3.559 3.559 0.059 1 0 "[ ]" 1
242 1 17 GLU HA 1 20 GLN QB 3.100 . 4.500 3.140 3.140 3.140 . 0 0 "[ ]" 1
243 1 4 LEU MD2 1 22 PHE QE 4.900 . 8.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
244 1 6 VAL MG2 1 22 PHE QD 4.200 . 6.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
245 1 6 VAL HB 1 22 PHE QE 3.600 . 5.500 4.706 4.706 4.706 . 0 0 "[ ]" 1
246 1 6 VAL MG2 1 22 PHE QE 3.600 . 5.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
247 1 18 MET HA 1 22 PHE QD 3.600 . 5.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
248 1 18 MET QB 1 22 PHE QD 4.200 . 6.500 4.370 4.370 4.370 . 0 0 "[ ]" 1
249 1 18 MET QG 1 22 PHE QD 4.200 . 6.500 2.535 2.535 2.535 . 0 0 "[ ]" 1
250 1 18 MET QB 1 22 PHE QE 4.200 . 6.500 4.351 4.351 4.351 . 0 0 "[ ]" 1
251 1 18 MET QG 1 22 PHE QE 4.200 . 6.500 2.490 2.490 2.490 . 0 0 "[ ]" 1
252 1 19 GLU HA 1 22 PHE QD 3.600 . 5.500 4.207 4.207 4.207 . 0 0 "[ ]" 1
253 1 19 GLU HA 1 22 PHE H 2.600 . 3.500 3.579 3.579 3.579 0.079 1 0 "[ ]" 1
254 1 19 GLU HA 1 22 PHE HB2 3.400 . 5.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
255 1 22 PHE H 1 28 ILE MD 3.100 . 4.500 3.173 3.173 3.173 . 0 0 "[ ]" 1
256 1 22 PHE QD 1 48 ILE MD 4.200 . 6.500 2.841 2.841 2.841 . 0 0 "[ ]" 1
257 1 22 PHE QD 1 48 ILE QG 4.200 . 6.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
258 1 22 PHE QE 1 48 ILE MD 4.200 . 6.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
259 1 22 PHE QE 1 48 ILE QG 4.900 . 8.000 3.456 3.456 3.456 . 0 0 "[ ]" 1
260 1 22 PHE H 1 48 ILE MD 3.900 . 6.000 3.407 3.407 3.407 . 0 0 "[ ]" 1
261 1 22 PHE QD 1 50 PHE QE 4.700 . 7.500 1.860 1.860 1.860 . 0 0 "[ ]" 1
262 1 22 PHE H 1 50 PHE HZ 3.400 . 5.000 4.991 4.991 4.991 . 0 0 "[ ]" 1
263 1 22 PHE QD 1 59 ALA MB 3.600 . 5.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
264 1 22 PHE QE 1 59 ALA MB 4.200 . 6.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
265 1 22 PHE QD 1 63 LEU MD1 4.200 . 6.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
266 1 22 PHE QD 1 63 LEU MD2 4.900 . 8.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
267 1 22 PHE QE 1 63 LEU HB3 4.400 . 7.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
268 1 22 PHE QE 1 63 LEU HB2 3.600 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
269 1 22 PHE QE 1 63 LEU MD1 3.600 . 5.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
270 1 22 PHE QE 1 63 LEU MD2 3.600 . 5.500 4.252 4.252 4.252 . 0 0 "[ ]" 1
271 1 22 PHE QE 1 77 VAL HA 3.600 . 5.500 4.797 4.797 4.797 . 0 0 "[ ]" 1
272 1 22 PHE QE 1 77 VAL HB 4.400 . 7.000 3.273 3.273 3.273 . 0 0 "[ ]" 1
273 1 22 PHE QE 1 77 VAL MG2 3.600 . 5.500 1.753 1.753 1.753 0.047 1 0 "[ ]" 1
274 1 22 PHE QE 1 77 VAL MG1 3.600 . 5.500 3.123 3.123 3.123 . 0 0 "[ ]" 1
275 1 20 GLN HA 1 23 SER H 2.600 . 3.500 3.258 3.258 3.258 . 0 0 "[ ]" 1
276 1 21 LEU H 1 23 SER H 2.600 . 3.500 3.610 3.610 3.610 0.110 1 0 "[ ]" 1
277 1 23 SER H 1 28 ILE MD 3.100 . 4.500 2.710 2.710 2.710 . 0 0 "[ ]" 1
278 1 20 GLN HA 1 24 GLN H 3.400 . 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
279 1 22 PHE HA 1 24 GLN H 3.400 . 5.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
280 1 21 LEU MD2 1 25 TYR QE 4.200 . 6.500 4.154 4.154 4.154 . 0 0 "[ ]" 1
281 1 22 PHE HA 1 25 TYR QD 3.600 . 5.500 2.550 2.550 2.550 . 0 0 "[ ]" 1
282 1 22 PHE HA 1 25 TYR H 3.400 . 5.000 3.215 3.215 3.215 . 0 0 "[ ]" 1
283 1 22 PHE HA 1 25 TYR HB2 3.400 . 5.000 2.702 2.702 2.702 . 0 0 "[ ]" 1
284 1 23 SER HA 1 25 TYR H 3.400 . 5.000 3.896 3.896 3.896 . 0 0 "[ ]" 1
285 1 25 TYR QD 1 58 GLU QB 4.200 . 6.500 3.915 3.915 3.915 . 0 0 "[ ]" 1
286 1 25 TYR QD 1 59 ALA HA 3.600 . 5.500 1.969 1.969 1.969 . 0 0 "[ ]" 1
287 1 25 TYR QE 1 59 ALA HA 3.600 . 5.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
288 1 25 TYR QD 1 63 LEU MD1 4.200 . 6.500 3.312 3.312 3.312 . 0 0 "[ ]" 1
289 1 25 TYR QD 1 63 LEU MD2 4.900 . 8.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
290 1 25 TYR QE 1 63 LEU HG 3.600 . 5.500 3.025 3.025 3.025 . 0 0 "[ ]" 1
291 1 25 TYR QE 1 63 LEU HB2 3.600 . 5.500 4.828 4.828 4.828 . 0 0 "[ ]" 1
292 1 25 TYR QE 1 63 LEU MD1 3.600 . 5.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
293 1 25 TYR QE 1 63 LEU MD2 4.200 . 6.500 2.498 2.498 2.498 . 0 0 "[ ]" 1
294 1 22 PHE HA 1 26 GLY H 3.400 . 5.000 4.646 4.646 4.646 . 0 0 "[ ]" 1
295 1 23 SER HA 1 26 GLY H 2.600 . 3.500 3.205 3.205 3.205 . 0 0 "[ ]" 1
296 1 24 GLN HA 1 26 GLY H 3.400 . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
297 1 26 GLY H 1 50 PHE QE 3.600 . 5.500 2.630 2.630 2.630 . 0 0 "[ ]" 1
298 1 26 GLY H 1 55 GLU QG 3.100 . 4.500 3.919 3.919 3.919 . 0 0 "[ ]" 1
299 1 22 PHE HB2 1 28 ILE MD 3.100 . 4.500 1.684 1.684 1.684 0.116 1 0 "[ ]" 1
300 1 22 PHE HB3 1 28 ILE MD 3.900 . 6.000 1.852 1.852 1.852 . 0 0 "[ ]" 1
301 1 23 SER HA 1 28 ILE H 2.100 . 2.500 2.658 2.658 2.658 0.158 1 0 "[ ]" 1
302 1 23 SER HA 1 28 ILE MD 3.100 . 4.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
303 1 28 ILE MG 1 30 THR HA 3.100 . 4.500 3.589 3.589 3.589 . 0 0 "[ ]" 1
304 1 28 ILE MG 1 31 SER HA 3.900 . 6.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
305 1 28 ILE MG 1 31 SER QB 3.600 . 5.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
306 1 28 ILE MG 1 48 ILE HA 3.900 . 6.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
307 1 28 ILE HA 1 50 PHE HA 2.600 . 3.500 2.503 2.503 2.503 . 0 0 "[ ]" 1
308 1 28 ILE MG 1 50 PHE HA 3.900 . 6.000 3.057 3.057 3.057 . 0 0 "[ ]" 1
309 1 29 ILE H 1 50 PHE HA 2.600 . 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
310 1 29 ILE H 1 51 ASP H 3.400 . 5.000 3.833 3.833 3.833 . 0 0 "[ ]" 1
311 1 29 ILE MD 1 51 ASP HA 3.100 . 4.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
312 1 29 ILE MD 1 51 ASP HB2 3.100 . 4.500 2.069 2.069 2.069 . 0 0 "[ ]" 1
313 1 29 ILE MD 1 51 ASP HB3 3.100 . 4.500 3.523 3.523 3.523 . 0 0 "[ ]" 1
314 1 29 ILE QG 1 51 ASP HA 3.100 . 4.500 2.236 2.236 2.236 . 0 0 "[ ]" 1
315 1 28 ILE MG 1 30 THR H 3.100 . 4.500 2.865 2.865 2.865 . 0 0 "[ ]" 1
316 1 30 THR MG 1 49 ARG QD 3.600 . 5.500 3.743 3.743 3.743 . 0 0 "[ ]" 1
317 1 31 SER QB 1 48 ILE HA 2.600 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
318 1 32 ARG H 1 47 PHE HB2 3.400 . 5.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
319 1 13 MET HA 1 33 ILE MD 2.600 . 3.500 3.068 3.068 3.068 . 0 0 "[ ]" 1
320 1 14 SER HA 1 33 ILE MD 3.100 . 4.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
321 1 15 GLN QG 1 33 ILE H 3.100 . 4.500 1.979 1.979 1.979 . 0 0 "[ ]" 1
322 1 15 GLN HA 1 33 ILE MD 3.100 . 4.500 2.818 2.818 2.818 . 0 0 "[ ]" 1
323 1 33 ILE QG 1 46 GLY HA3 3.900 . 6.000 2.422 2.422 2.422 . 0 0 "[ ]" 1
324 1 34 LEU H 1 45 VAL H 3.400 . 5.000 4.522 4.522 4.522 . 0 0 "[ ]" 1
325 1 34 LEU H 1 46 GLY HA3 3.400 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
326 1 35 LEU QD 1 42 SER QB 4.400 . 6.900 2.123 2.123 2.123 . 0 0 "[ ]" 1
327 1 35 LEU H 1 43 ARG QB 3.100 . 4.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
328 1 36 ASP H 1 41 VAL H 2.600 . 3.500 3.674 3.674 3.674 0.174 1 0 "[ ]" 1
329 1 36 ASP H 1 42 SER HA 2.600 . 3.500 2.119 2.119 2.119 . 0 0 "[ ]" 1
330 1 36 ASP H 1 43 ARG QB 3.100 . 4.500 3.205 3.205 3.205 . 0 0 "[ ]" 1
331 1 36 ASP HB3 1 39 THR H 3.400 . 5.000 4.371 4.371 4.371 . 0 0 "[ ]" 1
332 1 36 ASP HB3 1 40 GLY H 3.400 . 5.000 3.740 3.740 3.740 . 0 0 "[ ]" 1
333 1 36 ASP HB2 1 41 VAL H 2.600 . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1
334 1 36 ASP HB3 1 41 VAL H 2.600 . 3.500 1.959 1.959 1.959 . 0 0 "[ ]" 1
335 1 35 LEU QD 1 42 SER H 3.900 . 6.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
336 1 36 ASP HA 1 42 SER HA 2.600 . 3.500 3.861 3.861 3.861 0.361 1 0 "[ ]" 1
337 1 35 LEU HA 1 43 ARG HA 2.600 . 3.500 3.851 3.851 3.851 0.351 1 0 "[ ]" 1
338 1 35 LEU HA 1 43 ARG H 2.600 . 3.500 1.726 1.726 1.726 0.074 1 0 "[ ]" 1
339 1 35 LEU QD 1 43 ARG H 3.900 . 6.000 1.993 1.993 1.993 . 0 0 "[ ]" 1
340 1 43 ARG H 1 45 VAL H 3.400 . 5.000 4.769 4.769 4.769 . 0 0 "[ ]" 1
341 1 33 ILE MG 1 44 GLY H 3.100 . 4.500 3.855 3.855 3.855 . 0 0 "[ ]" 1
342 1 7 SER HA 1 45 VAL MG1 3.100 . 4.500 1.853 1.853 1.853 . 0 0 "[ ]" 1
343 1 7 SER HB3 1 45 VAL MG1 3.100 . 4.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
344 1 7 SER HB2 1 45 VAL MG1 3.900 . 6.000 3.425 3.425 3.425 . 0 0 "[ ]" 1
345 1 7 SER HA 1 45 VAL MG2 3.100 . 4.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
346 1 7 SER HB2 1 45 VAL MG2 3.100 . 4.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
347 1 34 LEU QD 1 45 VAL H 3.900 . 6.000 4.346 4.346 4.346 . 0 0 "[ ]" 1
348 1 6 VAL HB 1 46 GLY H 2.600 . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
349 1 6 VAL H 1 46 GLY H 2.600 . 3.500 2.981 2.981 2.981 . 0 0 "[ ]" 1
350 1 7 SER HA 1 46 GLY H 2.600 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
351 1 9 LEU MD1 1 46 GLY H 3.100 . 4.500 2.312 2.312 2.312 . 0 0 "[ ]" 1
352 1 33 ILE QG 1 46 GLY H 3.900 . 6.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
353 1 5 TYR QD 1 47 PHE QD 4.700 . 7.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
354 1 5 TYR QE 1 47 PHE QD 5.400 . 9.000 5.433 5.433 5.433 . 0 0 "[ ]" 1
355 1 5 TYR QD 1 47 PHE QE 4.700 . 7.500 2.749 2.749 2.749 . 0 0 "[ ]" 1
356 1 5 TYR QE 1 47 PHE QE 4.700 . 7.500 3.761 3.761 3.761 . 0 0 "[ ]" 1
357 1 5 TYR HB3 1 47 PHE QE 3.600 . 5.500 4.726 4.726 4.726 . 0 0 "[ ]" 1
358 1 5 TYR HB2 1 47 PHE QE 3.600 . 5.500 3.078 3.078 3.078 . 0 0 "[ ]" 1
359 1 34 LEU QD 1 47 PHE QD 4.900 . 7.900 2.975 2.975 2.975 . 0 0 "[ ]" 1
360 1 34 LEU QD 1 47 PHE QE 4.900 . 7.900 2.170 2.170 2.170 . 0 0 "[ ]" 1
361 1 45 VAL MG1 1 47 PHE QE 4.200 . 6.500 3.158 3.158 3.158 . 0 0 "[ ]" 1
362 1 47 PHE QD 1 80 ALA MB 4.200 . 6.500 2.592 2.592 2.592 . 0 0 "[ ]" 1
363 1 47 PHE QE 1 80 ALA MB 4.200 . 6.500 2.063 2.063 2.063 . 0 0 "[ ]" 1
364 1 4 LEU HB3 1 48 ILE H 2.600 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
365 1 4 LEU HB2 1 48 ILE H 2.600 . 3.500 2.091 2.091 2.091 . 0 0 "[ ]" 1
366 1 18 MET ME 1 48 ILE MD 3.600 . 5.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
367 1 18 MET QB 1 48 ILE MD 3.600 . 5.500 3.410 3.410 3.410 . 0 0 "[ ]" 1
368 1 18 MET QG 1 48 ILE MD 3.600 . 5.500 2.407 2.407 2.407 . 0 0 "[ ]" 1
369 1 18 MET ME 1 48 ILE MG 3.600 . 5.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
370 1 22 PHE HB2 1 48 ILE MD 3.100 . 4.500 1.819 1.819 1.819 . 0 0 "[ ]" 1
371 1 22 PHE HB3 1 48 ILE MD 3.100 . 4.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
372 1 22 PHE HB2 1 48 ILE MG 3.900 . 6.000 2.714 2.714 2.714 . 0 0 "[ ]" 1
373 1 22 PHE HB3 1 48 ILE MG 3.900 . 6.000 2.168 2.168 2.168 . 0 0 "[ ]" 1
374 1 28 ILE QG 1 48 ILE MG 4.400 . 7.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
375 1 28 ILE MD 1 48 ILE QG 3.100 . 4.500 3.303 3.303 3.303 . 0 0 "[ ]" 1
376 1 31 SER HA 1 48 ILE HA 2.600 . 3.500 2.542 2.542 2.542 . 0 0 "[ ]" 1
377 1 31 SER HA 1 48 ILE MD 3.900 . 6.000 3.205 3.205 3.205 . 0 0 "[ ]" 1
378 1 31 SER QB 1 48 ILE MD 3.600 . 5.500 1.682 1.682 1.682 0.118 1 0 "[ ]" 1
379 1 31 SER HA 1 48 ILE MG 3.900 . 6.000 4.220 4.220 4.220 . 0 0 "[ ]" 1
380 1 31 SER QB 1 48 ILE MG 3.600 . 5.500 3.017 3.017 3.017 . 0 0 "[ ]" 1
381 1 31 SER QB 1 48 ILE QG 4.400 . 7.000 3.313 3.313 3.313 . 0 0 "[ ]" 1
382 1 3 ASN HA 1 49 ARG QB 3.900 . 6.000 3.238 3.238 3.238 . 0 0 "[ ]" 1
383 1 28 ILE MG 1 49 ARG H 3.100 . 4.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
384 1 30 THR H 1 49 ARG H 2.600 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
385 1 31 SER HA 1 49 ARG H 2.600 . 3.500 3.039 3.039 3.039 . 0 0 "[ ]" 1
386 1 31 SER QB 1 49 ARG H 3.900 . 6.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
387 1 2 ALA MB 1 50 PHE QD 4.200 . 6.500 3.935 3.935 3.935 . 0 0 "[ ]" 1
388 1 2 ALA MB 1 50 PHE H 3.100 . 4.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
389 1 3 ASN HA 1 50 PHE H 2.600 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
390 1 4 LEU MD2 1 50 PHE QE 4.900 . 8.000 3.987 3.987 3.987 . 0 0 "[ ]" 1
391 1 4 LEU MD1 1 50 PHE HZ 3.900 . 6.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
392 1 22 PHE HB3 1 50 PHE QE 4.400 . 7.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
393 1 22 PHE HA 1 50 PHE HZ 2.600 . 3.500 2.754 2.754 2.754 . 0 0 "[ ]" 1
394 1 22 PHE QD 1 50 PHE HZ 3.600 . 5.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
395 1 22 PHE HB2 1 50 PHE HZ 2.600 . 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 1
396 1 22 PHE HB3 1 50 PHE HZ 2.600 . 3.500 1.843 1.843 1.843 . 0 0 "[ ]" 1
397 1 23 SER HA 1 50 PHE QE 4.400 . 7.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
398 1 25 TYR HB2 1 50 PHE HZ 2.600 . 3.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
399 1 25 TYR HB3 1 50 PHE HZ 2.600 . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
400 1 26 GLY QA 1 50 PHE QD 4.200 . 6.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
401 1 26 GLY QA 1 50 PHE QE 4.200 . 6.500 2.896 2.896 2.896 . 0 0 "[ ]" 1
402 1 28 ILE HA 1 50 PHE QD 4.400 . 7.000 3.134 3.134 3.134 . 0 0 "[ ]" 1
403 1 28 ILE MD 1 50 PHE QD 4.900 . 8.000 4.103 4.103 4.103 . 0 0 "[ ]" 1
404 1 28 ILE MG 1 50 PHE QD 4.900 . 8.000 4.222 4.222 4.222 . 0 0 "[ ]" 1
405 1 28 ILE MG 1 50 PHE QE 4.200 . 6.500 4.495 4.495 4.495 . 0 0 "[ ]" 1
406 1 28 ILE QG 1 50 PHE QE 4.900 . 8.000 2.537 2.537 2.537 . 0 0 "[ ]" 1
407 1 28 ILE MD 1 50 PHE HZ 3.100 . 4.500 3.108 3.108 3.108 . 0 0 "[ ]" 1
408 1 48 ILE MG 1 50 PHE QD 4.200 . 6.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
409 1 48 ILE MG 1 50 PHE QE 4.200 . 6.500 2.232 2.232 2.232 . 0 0 "[ ]" 1
410 1 48 ILE MG 1 50 PHE H 3.900 . 6.000 3.311 3.311 3.311 . 0 0 "[ ]" 1
411 1 50 PHE QD 1 55 GLU HB3 4.400 . 7.000 2.788 2.788 2.788 . 0 0 "[ ]" 1
412 1 50 PHE QD 1 55 GLU HB2 4.400 . 7.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
413 1 50 PHE QD 1 56 ALA HA 3.600 . 5.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
414 1 50 PHE QE 1 56 ALA HA 3.600 . 5.500 3.004 3.004 3.004 . 0 0 "[ ]" 1
415 1 50 PHE QD 1 59 ALA MB 4.200 . 6.500 3.978 3.978 3.978 . 0 0 "[ ]" 1
416 1 50 PHE QE 1 59 ALA MB 4.200 . 6.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
417 1 50 PHE HZ 1 59 ALA MB 3.100 . 4.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
418 1 28 ILE HA 1 51 ASP H 2.600 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
419 1 29 ILE MD 1 52 LYS H 3.900 . 6.000 4.913 4.913 4.913 . 0 0 "[ ]" 1
420 1 50 PHE HA 1 52 LYS H 3.400 . 5.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
421 1 50 PHE HB3 1 52 LYS H 2.600 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
422 1 2 ALA HA 1 53 ARG HA 2.600 . 3.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
423 1 26 GLY QA 1 55 GLU QG 3.600 . 5.500 1.931 1.931 1.931 . 0 0 "[ ]" 1
424 1 52 LYS QG 1 55 GLU H 3.100 . 4.500 4.086 4.086 4.086 . 0 0 "[ ]" 1
425 1 2 ALA MB 1 56 ALA H 3.100 . 4.500 3.454 3.454 3.454 . 0 0 "[ ]" 1
426 1 53 ARG HA 1 56 ALA H 2.600 . 3.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
427 1 54 ILE HA 1 56 ALA H 3.400 . 5.000 4.187 4.187 4.187 . 0 0 "[ ]" 1
428 1 54 ILE HA 1 57 GLU H 2.600 . 3.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
429 1 54 ILE HA 1 57 GLU QB 3.100 . 4.500 2.323 2.323 2.323 . 0 0 "[ ]" 1
430 1 54 ILE HA 1 57 GLU QG 3.900 . 6.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
431 1 55 GLU H 1 57 GLU H 3.400 . 5.000 3.771 3.771 3.771 . 0 0 "[ ]" 1
432 1 57 GLU H 1 79 PHE HZ 2.600 . 3.500 2.948 2.948 2.948 . 0 0 "[ ]" 1
433 1 54 ILE HA 1 58 GLU H 2.600 . 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 1
434 1 56 ALA H 1 58 GLU H 3.400 . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 1
435 1 25 TYR HB2 1 59 ALA MB 3.100 . 4.500 2.582 2.582 2.582 . 0 0 "[ ]" 1
436 1 25 TYR HB3 1 59 ALA MB 3.100 . 4.500 1.920 1.920 1.920 . 0 0 "[ ]" 1
437 1 56 ALA HA 1 59 ALA MB 3.100 . 4.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
438 1 4 LEU MD2 1 60 ILE MD 3.100 . 4.500 1.712 1.712 1.712 0.088 1 0 "[ ]" 1
439 1 56 ALA HA 1 60 ILE H 2.600 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
440 1 57 GLU HA 1 60 ILE H 2.600 . 3.500 3.533 3.533 3.533 0.033 1 0 "[ ]" 1
441 1 57 GLU HA 1 60 ILE MD 3.100 . 4.500 2.592 2.592 2.592 . 0 0 "[ ]" 1
442 1 60 ILE MG 1 64 ASN QB 3.600 . 5.500 2.446 2.446 2.446 . 0 0 "[ ]" 1
443 1 60 ILE QG 1 77 VAL MG2 3.600 . 5.500 2.081 2.081 2.081 . 0 0 "[ ]" 1
444 1 60 ILE MD 1 78 LYS HA 3.100 . 4.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
445 1 60 ILE QG 1 78 LYS HA 3.900 . 6.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
446 1 59 ALA HA 1 62 GLY H 2.600 . 3.500 2.972 2.972 2.972 . 0 0 "[ ]" 1
447 1 60 ILE H 1 62 GLY H 3.400 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
448 1 21 LEU HG 1 63 LEU MD1 3.100 . 4.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
449 1 21 LEU MD2 1 63 LEU MD1 3.600 . 5.500 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
450 1 21 LEU MD1 1 63 LEU MD1 3.600 . 5.500 3.713 3.713 3.713 . 0 0 "[ ]" 1
451 1 21 LEU HG 1 63 LEU MD2 3.100 . 4.500 2.343 2.343 2.343 . 0 0 "[ ]" 1
452 1 59 ALA HA 1 63 LEU H 3.400 . 5.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
453 1 59 ALA HA 1 63 LEU MD1 3.900 . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
454 1 59 ALA MB 1 63 LEU MD1 3.600 . 5.500 3.065 3.065 3.065 . 0 0 "[ ]" 1
455 1 60 ILE HA 1 63 LEU H 3.400 . 5.000 3.950 3.950 3.950 . 0 0 "[ ]" 1
456 1 63 LEU MD1 1 77 VAL MG1 3.600 . 5.500 3.555 3.555 3.555 . 0 0 "[ ]" 1
457 1 60 ILE HA 1 64 ASN H 2.600 . 3.500 3.330 3.330 3.330 . 0 0 "[ ]" 1
458 1 64 ASN H 1 75 ILE MD 3.900 . 6.000 3.959 3.959 3.959 . 0 0 "[ ]" 1
459 1 64 ASN HA 1 76 THR HA 2.600 . 3.500 3.087 3.087 3.087 . 0 0 "[ ]" 1
460 1 64 ASN H 1 77 VAL MG1 3.100 . 4.500 2.029 2.029 2.029 . 0 0 "[ ]" 1
461 1 65 GLY H 1 75 ILE HB 3.400 . 5.000 3.710 3.710 3.710 . 0 0 "[ ]" 1
462 1 65 GLY H 1 75 ILE MG 3.900 . 6.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
463 1 65 GLY H 1 75 ILE QG 3.900 . 6.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
464 1 65 GLY H 1 76 THR HA 2.600 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
465 1 65 GLY H 1 76 THR MG 3.900 . 6.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
466 1 65 GLY H 1 77 VAL H 3.400 . 5.000 3.213 3.213 3.213 . 0 0 "[ ]" 1
467 1 65 GLY H 1 77 VAL MG1 3.900 . 6.000 3.747 3.747 3.747 . 0 0 "[ ]" 1
468 1 66 GLN H 1 74 PRO QG 3.100 . 4.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
469 1 66 GLN H 1 75 ILE MD 3.100 . 4.500 3.806 3.806 3.806 . 0 0 "[ ]" 1
470 1 66 GLN H 1 75 ILE QG 3.100 . 4.500 2.438 2.438 2.438 . 0 0 "[ ]" 1
471 1 67 LYS HA 1 71 ALA MB 3.100 . 4.500 3.687 3.687 3.687 . 0 0 "[ ]" 1
472 1 68 PRO QD 1 71 ALA MB 3.600 . 5.500 3.834 3.834 3.834 . 0 0 "[ ]" 1
473 1 69 LEU HA 1 71 ALA H 2.600 . 3.500 3.590 3.590 3.590 0.090 1 0 "[ ]" 1
474 1 67 LYS QB 1 73 GLU H 3.900 . 6.000 5.412 5.412 5.412 . 0 0 "[ ]" 1
475 1 6 VAL HA 1 76 THR H 3.400 . 5.000 3.674 3.674 3.674 . 0 0 "[ ]" 1
476 1 60 ILE HA 1 77 VAL MG2 3.100 . 4.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
477 1 60 ILE HA 1 77 VAL MG1 3.100 . 4.500 1.932 1.932 1.932 . 0 0 "[ ]" 1
478 1 64 ASN QB 1 77 VAL H 3.900 . 6.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
479 1 64 ASN HA 1 77 VAL MG1 3.100 . 4.500 1.900 1.900 1.900 . 0 0 "[ ]" 1
480 1 64 ASN QB 1 77 VAL MG1 3.600 . 5.500 1.807 1.807 1.807 . 0 0 "[ ]" 1
481 1 6 VAL HA 1 78 LYS H 3.400 . 5.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
482 1 4 LEU HA 1 79 PHE QD 4.400 . 7.000 3.217 3.217 3.217 . 0 0 "[ ]" 1
483 1 4 LEU MD2 1 79 PHE QD 4.200 . 6.500 2.211 2.211 2.211 . 0 0 "[ ]" 1
484 1 4 LEU MD2 1 79 PHE QE 4.200 . 6.500 2.343 2.343 2.343 . 0 0 "[ ]" 1
485 1 4 LEU MD2 1 79 PHE H 3.900 . 6.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
486 1 4 LEU MD2 1 79 PHE HZ 3.100 . 4.500 3.733 3.733 3.733 . 0 0 "[ ]" 1
487 1 56 ALA MB 1 79 PHE HZ 2.600 . 3.500 2.584 2.584 2.584 . 0 0 "[ ]" 1
488 1 57 GLU HA 1 79 PHE HZ 2.600 . 3.500 2.539 2.539 2.539 . 0 0 "[ ]" 1
489 1 57 GLU QG 1 79 PHE HZ 3.100 . 4.500 1.975 1.975 1.975 . 0 0 "[ ]" 1
490 1 60 ILE MD 1 79 PHE QD 4.200 . 6.500 2.733 2.733 2.733 . 0 0 "[ ]" 1
491 1 60 ILE MG 1 79 PHE QD 4.900 . 8.000 4.120 4.120 4.120 . 0 0 "[ ]" 1
492 1 60 ILE MD 1 79 PHE QE 4.200 . 6.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
493 1 60 ILE MD 1 79 PHE H 3.100 . 4.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
494 1 60 ILE MD 1 79 PHE HZ 3.100 . 4.500 2.632 2.632 2.632 . 0 0 "[ ]" 1
495 1 60 ILE QG 1 79 PHE HZ 3.900 . 6.000 4.506 4.506 4.506 . 0 0 "[ ]" 1
496 1 4 LEU HA 1 80 ALA H 2.600 . 3.500 2.645 2.645 2.645 . 0 0 "[ ]" 1
497 1 4 LEU MD2 1 80 ALA H 3.100 . 4.500 3.552 3.552 3.552 . 0 0 "[ ]" 1
498 1 4 LEU HA 1 80 ALA MB 3.900 . 6.000 3.404 3.404 3.404 . 0 0 "[ ]" 1
499 1 5 TYR HB3 1 80 ALA MB 3.100 . 4.500 2.712 2.712 2.712 . 0 0 "[ ]" 1
500 1 79 PHE HB3 1 81 ASN H 3.400 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
501 1 3 ASN HA 1 49 ARG HA 2.100 . 5.000 1.913 1.913 1.913 . 0 0 "[ ]" 1
502 1 15 GLN HA 1 32 ARG HA 2.600 . 3.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
503 1 7 SER HA 1 45 VAL HA 2.100 . 5.000 2.094 2.094 2.094 . 0 0 "[ ]" 1
504 1 75 ILE HA 1 76 THR H 2.100 . 5.000 2.352 2.352 2.352 . 0 0 "[ ]" 1
505 1 32 ARG H 1 48 ILE HA 2.600 . 3.500 3.604 3.604 3.604 0.104 1 0 "[ ]" 1
506 1 4 LEU H 1 4 LEU HG 2.600 . 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
507 1 4 LEU H 1 4 LEU HB2 2.600 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
508 1 4 LEU HA 1 4 LEU MD2 2.600 . 3.500 1.813 1.813 1.813 . 0 0 "[ ]" 1
509 1 5 TYR HA 1 5 TYR QD 3.900 . 6.000 3.033 3.033 3.033 . 0 0 "[ ]" 1
510 1 5 TYR H 1 5 TYR HB3 2.600 . 3.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
511 1 6 VAL H 1 6 VAL HB 2.600 . 3.500 2.760 2.760 2.760 . 0 0 "[ ]" 1
512 1 6 VAL H 1 6 VAL MG2 3.100 . 4.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
513 1 6 VAL HA 1 6 VAL MG1 2.900 . 4.000 2.152 2.152 2.152 . 0 0 "[ ]" 1
514 1 6 VAL HA 1 6 VAL MG2 2.900 . 4.000 2.497 2.497 2.497 . 0 0 "[ ]" 1
515 1 7 SER H 1 7 SER HB3 2.600 . 3.500 3.095 3.095 3.095 . 0 0 "[ ]" 1
516 1 7 SER HA 1 7 SER HB3 2.600 . 3.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
517 1 7 SER HA 1 7 SER HB2 2.600 . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
518 1 8 GLY H 1 8 GLY HA2 2.100 . 2.500 2.359 2.359 2.359 . 0 0 "[ ]" 1
519 1 12 THR H 1 12 THR MG 2.600 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
520 1 13 MET HA 1 13 MET ME 2.600 . 3.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
521 1 13 MET H 1 13 MET QB 2.500 . 3.100 2.150 2.150 2.150 . 0 0 "[ ]" 1
522 1 14 SER H 1 14 SER QB 2.900 . 4.000 2.223 2.223 2.223 . 0 0 "[ ]" 1
523 1 19 GLU H 1 19 GLU QB 2.600 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
524 1 21 LEU H 1 21 LEU HB2 2.100 . 2.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
525 1 21 LEU H 1 21 LEU MD1 3.100 . 4.500 3.663 3.663 3.663 . 0 0 "[ ]" 1
526 1 22 PHE HA 1 22 PHE QD 3.100 . 4.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
527 1 22 PHE H 1 22 PHE QD 3.100 . 4.500 2.009 2.009 2.009 . 0 0 "[ ]" 1
528 1 22 PHE H 1 22 PHE HB2 2.600 . 3.500 2.384 2.384 2.384 . 0 0 "[ ]" 1
529 1 22 PHE HA 1 22 PHE HB3 2.600 . 3.500 2.527 2.527 2.527 . 0 0 "[ ]" 1
530 1 25 TYR HA 1 25 TYR QD 2.600 . 3.500 3.029 3.029 3.029 . 0 0 "[ ]" 1
531 1 25 TYR H 1 25 TYR HB2 2.600 . 3.500 2.261 2.261 2.261 . 0 0 "[ ]" 1
532 1 25 TYR HA 1 25 TYR HB3 2.600 . 3.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
533 1 28 ILE H 1 28 ILE QG 3.100 . 4.500 2.510 2.510 2.510 . 0 0 "[ ]" 1
534 1 28 ILE HA 1 28 ILE MG 2.500 . 3.100 2.445 2.445 2.445 . 0 0 "[ ]" 1
535 1 28 ILE HA 1 28 ILE QG 2.900 . 4.000 2.262 2.262 2.262 . 0 0 "[ ]" 1
536 1 29 ILE H 1 29 ILE HB 2.100 . 2.500 2.528 2.528 2.528 0.028 1 0 "[ ]" 1
537 1 29 ILE H 1 29 ILE MD 3.100 . 4.500 2.881 2.881 2.881 . 0 0 "[ ]" 1
538 1 32 ARG H 1 32 ARG QB 2.900 . 4.000 3.006 3.006 3.006 . 0 0 "[ ]" 1
539 1 65 GLY H 1 65 GLY HA3 2.600 . 3.500 2.467 2.467 2.467 . 0 0 "[ ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 60
_Distance_constraint_stats_list.Viol_count 7
_Distance_constraint_stats_list.Viol_total 0.335
_Distance_constraint_stats_list.Viol_max 0.124
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 LEU 0.025 0.025 1 0 "[ ]"
1 5 TYR 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 7 SER 0.039 0.039 1 0 "[ ]"
1 16 LYS 0.000 0.000 . 0 "[ ]"
1 17 GLU 0.061 0.061 1 0 "[ ]"
1 18 MET 0.000 0.000 . 0 "[ ]"
1 19 GLU 0.000 0.000 . 0 "[ ]"
1 20 GLN 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.061 0.061 1 0 "[ ]"
1 22 PHE 0.000 0.000 . 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 GLN 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 29 ILE 0.000 0.000 . 0 "[ ]"
1 30 THR 0.000 0.000 . 0 "[ ]"
1 32 ARG 0.000 0.000 . 0 "[ ]"
1 34 LEU 0.000 0.000 . 0 "[ ]"
1 45 VAL 0.000 0.000 . 0 "[ ]"
1 46 GLY 0.000 0.000 . 0 "[ ]"
1 47 PHE 0.000 0.000 . 0 "[ ]"
1 48 ILE 0.025 0.025 1 0 "[ ]"
1 49 ARG 0.000 0.000 . 0 "[ ]"
1 52 LYS 0.054 0.054 1 0 "[ ]"
1 53 ARG 0.000 0.000 . 0 "[ ]"
1 54 ILE 0.000 0.000 . 0 "[ ]"
1 55 GLU 0.000 0.000 . 0 "[ ]"
1 56 ALA 0.054 0.054 1 0 "[ ]"
1 57 GLU 0.020 0.020 1 0 "[ ]"
1 58 GLU 0.000 0.000 . 0 "[ ]"
1 59 ALA 0.012 0.012 1 0 "[ ]"
1 60 ILE 0.000 0.000 . 0 "[ ]"
1 61 LYS 0.020 0.020 1 0 "[ ]"
1 62 GLY 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.012 0.012 1 0 "[ ]"
1 64 ASN 0.000 0.000 . 0 "[ ]"
1 65 GLY 0.124 0.124 1 0 "[ ]"
1 75 ILE 0.124 0.124 1 0 "[ ]"
1 76 THR 0.039 0.039 1 0 "[ ]"
1 78 LYS 0.000 0.000 . 0 "[ ]"
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 4 LEU N 1 48 ILE O 3.300 2.500 3.500 2.714 2.714 2.714 . 0 0 "[ ]" 2
2 1 4 LEU H 1 48 ILE O 2.300 . 2.500 2.416 2.416 2.416 . 0 0 "[ ]" 2
3 1 4 LEU O 1 48 ILE N 3.300 2.500 3.500 3.371 3.371 3.371 . 0 0 "[ ]" 2
4 1 4 LEU O 1 48 ILE H 2.300 . 2.500 2.525 2.525 2.525 0.025 1 0 "[ ]" 2
5 1 6 VAL N 1 46 GLY O 3.300 2.500 3.500 3.026 3.026 3.026 . 0 0 "[ ]" 2
6 1 6 VAL H 1 46 GLY O 2.300 . 2.500 2.080 2.080 2.080 . 0 0 "[ ]" 2
7 1 6 VAL O 1 46 GLY N 3.300 2.500 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 2
8 1 6 VAL O 1 46 GLY H 2.300 . 2.500 2.096 2.096 2.096 . 0 0 "[ ]" 2
9 1 5 TYR N 1 78 LYS O 3.300 2.500 3.500 2.857 2.857 2.857 . 0 0 "[ ]" 2
10 1 5 TYR H 1 78 LYS O 2.300 . 2.500 2.106 2.106 2.106 . 0 0 "[ ]" 2
11 1 5 TYR O 1 78 LYS N 3.300 2.500 3.500 3.047 3.047 3.047 . 0 0 "[ ]" 2
12 1 5 TYR O 1 78 LYS H 2.300 . 2.500 2.199 2.199 2.199 . 0 0 "[ ]" 2
13 1 7 SER N 1 76 THR O 3.300 2.500 3.500 3.290 3.290 3.290 . 0 0 "[ ]" 2
14 1 7 SER H 1 76 THR O 2.300 . 2.500 2.460 2.460 2.460 . 0 0 "[ ]" 2
15 1 7 SER O 1 76 THR N 3.300 2.500 3.500 3.105 3.105 3.105 . 0 0 "[ ]" 2
16 1 7 SER O 1 76 THR H 2.300 . 2.500 2.539 2.539 2.539 0.039 1 0 "[ ]" 2
17 1 29 ILE N 1 49 ARG O 3.300 2.500 3.500 2.996 2.996 2.996 . 0 0 "[ ]" 2
18 1 29 ILE H 1 49 ARG O 2.300 . 2.500 2.077 2.077 2.077 . 0 0 "[ ]" 2
19 1 30 THR O 1 49 ARG N 3.300 2.500 3.500 3.038 3.038 3.038 . 0 0 "[ ]" 2
20 1 30 THR O 1 49 ARG H 2.300 . 2.500 2.119 2.119 2.119 . 0 0 "[ ]" 2
21 1 32 ARG N 1 47 PHE O 3.300 2.500 3.500 3.436 3.436 3.436 . 0 0 "[ ]" 2
22 1 32 ARG H 1 47 PHE O 2.300 . 2.500 2.483 2.483 2.483 . 0 0 "[ ]" 2
23 1 32 ARG O 1 47 PHE N 3.300 2.500 3.500 3.071 3.071 3.071 . 0 0 "[ ]" 2
24 1 32 ARG O 1 47 PHE H 2.300 . 2.500 2.430 2.430 2.430 . 0 0 "[ ]" 2
25 1 34 LEU N 1 45 VAL O 3.300 2.500 3.500 2.662 2.662 2.662 . 0 0 "[ ]" 2
26 1 34 LEU H 1 45 VAL O 2.300 . 2.500 2.088 2.088 2.088 . 0 0 "[ ]" 2
27 1 34 LEU O 1 45 VAL N 3.300 2.500 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 2
28 1 34 LEU O 1 45 VAL H 2.300 . 2.500 2.489 2.489 2.489 . 0 0 "[ ]" 2
29 1 16 LYS O 1 20 GLN N 3.300 2.500 3.500 2.892 2.892 2.892 . 0 0 "[ ]" 2
30 1 16 LYS O 1 20 GLN H 2.300 . 2.500 2.039 2.039 2.039 . 0 0 "[ ]" 2
31 1 17 GLU O 1 21 LEU N 3.300 2.500 3.500 3.391 3.391 3.391 . 0 0 "[ ]" 2
32 1 17 GLU O 1 21 LEU H 2.300 . 2.500 2.561 2.561 2.561 0.061 1 0 "[ ]" 2
33 1 18 MET O 1 22 PHE N 3.300 2.500 3.500 3.272 3.272 3.272 . 0 0 "[ ]" 2
34 1 18 MET O 1 22 PHE H 2.300 . 2.500 2.333 2.333 2.333 . 0 0 "[ ]" 2
35 1 19 GLU O 1 23 SER N 3.300 2.500 3.500 2.789 2.789 2.789 . 0 0 "[ ]" 2
36 1 19 GLU O 1 23 SER H 2.300 . 2.500 2.104 2.104 2.104 . 0 0 "[ ]" 2
37 1 20 GLN O 1 24 GLN N 3.300 2.500 3.500 3.375 3.375 3.375 . 0 0 "[ ]" 2
38 1 20 GLN O 1 24 GLN H 2.300 . 2.500 2.453 2.453 2.453 . 0 0 "[ ]" 2
39 1 22 PHE O 1 26 GLY N 3.300 2.500 3.500 3.235 3.235 3.235 . 0 0 "[ ]" 2
40 1 22 PHE O 1 26 GLY H 2.300 . 2.500 2.427 2.427 2.427 . 0 0 "[ ]" 2
41 1 52 LYS O 1 56 ALA N 3.300 2.500 3.500 3.427 3.427 3.427 . 0 0 "[ ]" 2
42 1 52 LYS O 1 56 ALA H 2.300 . 2.500 2.554 2.554 2.554 0.054 1 0 "[ ]" 2
43 1 53 ARG O 1 57 GLU N 3.300 2.500 3.500 2.878 2.878 2.878 . 0 0 "[ ]" 2
44 1 53 ARG O 1 57 GLU H 2.300 . 2.500 2.123 2.123 2.123 . 0 0 "[ ]" 2
45 1 54 ILE O 1 58 GLU N 3.300 2.500 3.500 3.035 3.035 3.035 . 0 0 "[ ]" 2
46 1 54 ILE O 1 58 GLU H 2.300 . 2.500 2.079 2.079 2.079 . 0 0 "[ ]" 2
47 1 55 GLU O 1 59 ALA N 3.300 2.500 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 2
48 1 55 GLU O 1 59 ALA H 2.300 . 2.500 2.486 2.486 2.486 . 0 0 "[ ]" 2
49 1 56 ALA O 1 60 ILE N 3.300 2.500 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 2
50 1 56 ALA O 1 60 ILE H 2.300 . 2.500 2.080 2.080 2.080 . 0 0 "[ ]" 2
51 1 57 GLU O 1 61 LYS N 3.300 2.500 3.500 3.304 3.304 3.304 . 0 0 "[ ]" 2
52 1 57 GLU O 1 61 LYS H 2.300 . 2.500 2.520 2.520 2.520 0.020 1 0 "[ ]" 2
53 1 58 GLU O 1 62 GLY N 3.300 2.500 3.500 3.350 3.350 3.350 . 0 0 "[ ]" 2
54 1 58 GLU O 1 62 GLY H 2.300 . 2.500 2.496 2.496 2.496 . 0 0 "[ ]" 2
55 1 59 ALA O 1 63 LEU N 3.300 2.500 3.500 3.027 3.027 3.027 . 0 0 "[ ]" 2
56 1 59 ALA O 1 63 LEU H 2.300 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 2
57 1 60 ILE O 1 64 ASN N 3.300 2.500 3.500 3.112 3.112 3.112 . 0 0 "[ ]" 2
58 1 60 ILE O 1 64 ASN H 2.300 . 2.500 2.275 2.275 2.275 . 0 0 "[ ]" 2
59 1 65 GLY N 1 75 ILE O 3.300 2.500 3.500 3.401 3.401 3.401 . 0 0 "[ ]" 2
60 1 65 GLY H 1 75 ILE O 2.300 . 2.500 2.624 2.624 2.624 0.124 1 0 "[ ]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 4:58:42 AM GMT (wattos1)