NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
372293 |
1d8z   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1d8z
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 590
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 1.933
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0537
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 SER 0.062 0.062 1 0 "[ ]"
1 4 LYS 0.062 0.062 1 0 "[ ]"
1 5 THR 0.009 0.009 1 0 "[ ]"
1 6 ASN 0.009 0.009 1 0 "[ ]"
1 7 LEU 0.117 0.117 1 0 "[ ]"
1 8 ILE 0.000 0.000 . 0 "[ ]"
1 9 VAL 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.061 0.057 1 0 "[ ]"
1 11 TYR 0.076 0.076 1 0 "[ ]"
1 12 LEU 0.000 0.000 . 0 "[ ]"
1 13 PRO 0.000 0.000 . 0 "[ ]"
1 14 GLN 0.000 0.000 . 0 "[ ]"
1 15 ASN 0.152 0.085 1 0 "[ ]"
1 16 MET 0.067 0.067 1 0 "[ ]"
1 17 THR 0.015 0.015 1 0 "[ ]"
1 18 GLN 0.108 0.072 1 0 "[ ]"
1 19 ASP 0.021 0.021 1 0 "[ ]"
1 20 GLU 0.000 0.000 . 0 "[ ]"
1 21 PHE 0.086 0.072 1 0 "[ ]"
1 22 LYS 0.015 0.015 1 0 "[ ]"
1 23 SER 0.015 0.015 1 0 "[ ]"
1 24 LEU 0.000 0.000 . 0 "[ ]"
1 25 PHE 0.079 0.079 1 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 ILE 0.044 0.044 1 0 "[ ]"
1 29 GLY 0.044 0.044 1 0 "[ ]"
1 30 ASP 0.064 0.064 1 0 "[ ]"
1 31 ILE 0.073 0.073 1 0 "[ ]"
1 32 GLU 0.064 0.064 1 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 CYS 0.034 0.034 1 0 "[ ]"
1 35 LYS 0.034 0.034 1 0 "[ ]"
1 36 LEU 0.000 0.000 . 0 "[ ]"
1 37 VAL 0.166 0.166 1 0 "[ ]"
1 38 ARG 0.002 0.002 1 0 "[ ]"
1 39 ASP 0.000 0.000 . 0 "[ ]"
1 40 LYS 0.000 0.000 . 0 "[ ]"
1 41 ILE 0.004 0.004 1 0 "[ ]"
1 42 THR 0.175 0.119 1 0 "[ ]"
1 43 GLY 0.170 0.119 1 0 "[ ]"
1 44 GLN 0.000 0.000 . 0 "[ ]"
1 45 SER 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.169 0.166 1 0 "[ ]"
1 47 GLY 0.000 0.000 . 0 "[ ]"
1 48 TYR 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.018 0.008 1 0 "[ ]"
1 50 PHE 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.184 0.111 1 0 "[ ]"
1 52 ASN 0.000 0.000 . 0 "[ ]"
1 53 TYR 0.111 0.111 1 0 "[ ]"
1 54 SER 0.000 0.000 . 0 "[ ]"
1 55 ASP 0.000 0.000 . 0 "[ ]"
1 56 PRO 0.000 0.000 . 0 "[ ]"
1 57 ASN 0.073 0.047 1 0 "[ ]"
1 58 ASP 0.047 0.047 1 0 "[ ]"
1 59 ALA 0.126 0.117 1 0 "[ ]"
1 60 ASP 0.035 0.026 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 ALA 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.083 0.083 1 0 "[ ]"
1 64 ASN 0.000 0.000 . 0 "[ ]"
1 65 THR 0.000 0.000 . 0 "[ ]"
1 66 LEU 0.108 0.108 1 0 "[ ]"
1 67 ASN 0.000 0.000 . 0 "[ ]"
1 68 GLY 0.000 0.000 . 0 "[ ]"
1 69 LEU 0.252 0.144 1 0 "[ ]"
1 70 LYS 0.067 0.067 1 0 "[ ]"
1 71 LEU 0.037 0.037 1 0 "[ ]"
1 72 GLN 0.062 0.037 1 0 "[ ]"
1 73 THR 0.025 0.025 1 0 "[ ]"
1 74 LYS 0.006 0.006 1 0 "[ ]"
1 75 THR 0.006 0.006 1 0 "[ ]"
1 76 ILE 0.211 0.144 1 0 "[ ]"
1 77 LYS 0.133 0.076 1 0 "[ ]"
1 78 VAL 0.162 0.083 1 0 "[ ]"
1 79 SER 0.000 0.000 . 0 "[ ]"
1 80 TYR 0.000 0.000 . 0 "[ ]"
1 81 ALA 0.000 0.000 . 0 "[ ]"
1 82 ARG 0.000 0.000 . 0 "[ ]"
1 85 SER 0.021 0.021 1 0 "[ ]"
1 86 ALA 0.021 0.021 1 0 "[ ]"
1 87 SER 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 ASP H 1 3 SER H 3.400 . 5.000 4.522 4.522 4.522 . 0 0 "[ ]" 1
2 1 4 LYS H 1 5 THR H 2.600 . 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
3 1 5 THR H 1 6 ASN H 2.600 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
4 1 11 TYR H 1 12 LEU H 2.600 . 3.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
5 1 14 GLN H 1 15 ASN H 2.600 . 3.500 3.283 3.283 3.283 . 0 0 "[ ]" 1
6 1 15 ASN H 1 16 MET H 2.600 . 3.500 3.128 3.128 3.128 . 0 0 "[ ]" 1
7 1 18 GLN H 1 19 ASP H 2.600 . 3.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
8 1 19 ASP H 1 20 GLU H 2.600 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
9 1 20 GLU H 1 21 PHE H 2.600 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
10 1 22 LYS H 1 23 SER H 2.600 . 3.500 2.733 2.733 2.733 . 0 0 "[ ]" 1
11 1 23 SER H 1 24 LEU H 2.600 . 3.500 2.766 2.766 2.766 . 0 0 "[ ]" 1
12 1 24 LEU H 1 25 PHE H 3.400 . 5.000 3.189 3.189 3.189 . 0 0 "[ ]" 1
13 1 25 PHE H 1 26 GLY H 2.600 . 3.500 2.594 2.594 2.594 . 0 0 "[ ]" 1
14 1 26 GLY H 1 27 SER H 2.600 . 3.500 2.402 2.402 2.402 . 0 0 "[ ]" 1
15 1 27 SER H 1 28 ILE H 2.600 . 3.500 3.189 3.189 3.189 . 0 0 "[ ]" 1
16 1 29 GLY H 1 30 ASP H 3.400 . 5.000 4.382 4.382 4.382 . 0 0 "[ ]" 1
17 1 32 GLU H 1 33 SER H 2.600 . 3.500 2.979 2.979 2.979 . 0 0 "[ ]" 1
18 1 40 LYS H 1 41 ILE H 2.600 . 3.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
19 1 41 ILE H 1 42 THR H 2.600 . 3.500 3.067 3.067 3.067 . 0 0 "[ ]" 1
20 1 42 THR H 1 43 GLY H 2.600 . 3.500 2.508 2.508 2.508 . 0 0 "[ ]" 1
21 1 43 GLY H 1 44 GLN H 2.600 . 3.500 1.943 1.943 1.943 . 0 0 "[ ]" 1
22 1 46 LEU H 1 47 GLY H 2.600 . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
23 1 47 GLY H 1 48 TYR H 2.600 . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 1
24 1 54 SER H 1 55 ASP H 2.600 . 3.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
25 1 57 ASN H 1 58 ASP H 2.600 . 3.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
26 1 58 ASP H 1 59 ALA H 2.600 . 3.500 2.469 2.469 2.469 . 0 0 "[ ]" 1
27 1 59 ALA H 1 60 ASP H 2.100 . 2.500 2.509 2.509 2.509 0.009 1 0 "[ ]" 1
28 1 61 LYS H 1 62 ALA H 2.600 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
29 1 62 ALA H 1 63 ILE H 2.600 . 3.500 2.520 2.520 2.520 . 0 0 "[ ]" 1
30 1 63 ILE H 1 64 ASN H 2.600 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
31 1 64 ASN H 1 65 THR H 2.600 . 3.500 2.581 2.581 2.581 . 0 0 "[ ]" 1
32 1 65 THR H 1 66 LEU H 2.600 . 3.500 1.854 1.854 1.854 . 0 0 "[ ]" 1
33 1 66 LEU H 1 67 ASN H 2.600 . 3.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
34 1 68 GLY H 1 69 LEU H 2.600 . 3.500 2.364 2.364 2.364 . 0 0 "[ ]" 1
35 1 69 LEU H 1 70 LYS H 3.400 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
36 1 73 THR H 1 74 LYS H 2.600 . 3.500 1.935 1.935 1.935 . 0 0 "[ ]" 1
37 1 75 THR H 1 76 ILE H 3.400 . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
38 1 2 ASP HA 1 3 SER H 2.100 . 2.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
39 1 3 SER HA 1 4 LYS H 2.600 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
40 1 4 LYS HA 1 5 THR H 2.600 . 3.500 2.315 2.315 2.315 . 0 0 "[ ]" 1
41 1 5 THR HA 1 6 ASN H 3.400 . 5.000 2.480 2.480 2.480 . 0 0 "[ ]" 1
42 1 6 ASN HA 1 7 LEU H 2.600 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
43 1 7 LEU HA 1 8 ILE H 2.600 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
44 1 8 ILE HA 1 9 VAL H 2.600 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
45 1 9 VAL HA 1 10 ASN H 2.600 . 3.500 2.337 2.337 2.337 . 0 0 "[ ]" 1
46 1 10 ASN HA 1 11 TYR H 2.600 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
47 1 11 TYR HA 1 12 LEU H 2.600 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
48 1 13 PRO HA 1 14 GLN H 2.100 . 2.500 2.370 2.370 2.370 . 0 0 "[ ]" 1
49 1 15 ASN HA 1 16 MET H 2.600 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1
50 1 16 MET HA 1 17 THR H 2.600 . 3.500 2.201 2.201 2.201 . 0 0 "[ ]" 1
51 1 17 THR HA 1 18 GLN H 2.600 . 3.500 2.945 2.945 2.945 . 0 0 "[ ]" 1
52 1 18 GLN HA 1 19 ASP H 2.600 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
53 1 19 ASP HA 1 20 GLU H 3.400 . 5.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
54 1 20 GLU HA 1 21 PHE H 2.600 . 3.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
55 1 22 LYS HA 1 23 SER H 3.400 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
56 1 25 PHE HA 1 26 GLY H 3.400 . 5.000 3.241 3.241 3.241 . 0 0 "[ ]" 1
57 1 26 GLY HA3 1 27 SER H 2.600 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
58 1 27 SER HA 1 28 ILE H 3.400 . 5.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
59 1 28 ILE HA 1 29 GLY H 2.600 . 3.500 3.544 3.544 3.544 0.044 1 0 "[ ]" 1
60 1 29 GLY HA2 1 30 ASP H 2.600 . 3.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
61 1 29 GLY HA3 1 30 ASP H 2.600 . 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
62 1 30 ASP HA 1 31 ILE H 2.100 . 2.500 2.369 2.369 2.369 . 0 0 "[ ]" 1
63 1 31 ILE HA 1 32 GLU H 2.600 . 3.500 2.287 2.287 2.287 . 0 0 "[ ]" 1
64 1 33 SER HA 1 34 CYS H 2.100 . 2.500 2.185 2.185 2.185 . 0 0 "[ ]" 1
65 1 34 CYS HA 1 35 LYS H 2.100 . 2.500 2.534 2.534 2.534 0.034 1 0 "[ ]" 1
66 1 35 LYS HA 1 36 LEU H 2.600 . 3.500 2.481 2.481 2.481 . 0 0 "[ ]" 1
67 1 36 LEU HA 1 37 VAL H 2.100 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 1
68 1 37 VAL HA 1 38 ARG H 2.100 . 2.500 2.199 2.199 2.199 . 0 0 "[ ]" 1
69 1 38 ARG HA 1 39 ASP H 2.600 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
70 1 39 ASP HA 1 40 LYS H 2.100 . 2.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
71 1 40 LYS HA 1 41 ILE H 2.600 . 3.500 3.082 3.082 3.082 . 0 0 "[ ]" 1
72 1 41 ILE HA 1 42 THR H 2.600 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
73 1 43 GLY QA 1 44 GLN H 3.900 . 6.000 2.834 2.834 2.834 . 0 0 "[ ]" 1
74 1 45 SER HA 1 46 LEU H 2.600 . 3.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
75 1 47 GLY QA 1 48 TYR H 3.100 . 4.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
76 1 48 TYR HA 1 49 GLY H 2.600 . 3.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
77 1 49 GLY HA3 1 50 PHE H 2.600 . 3.500 2.605 2.605 2.605 . 0 0 "[ ]" 1
78 1 49 GLY HA2 1 50 PHE H 2.600 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 1
79 1 50 PHE HA 1 51 VAL H 2.600 . 3.500 2.266 2.266 2.266 . 0 0 "[ ]" 1
80 1 51 VAL HA 1 52 ASN H 2.100 . 2.500 2.244 2.244 2.244 . 0 0 "[ ]" 1
81 1 52 ASN HA 1 53 TYR H 2.600 . 3.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
82 1 53 TYR HA 1 54 SER H 2.600 . 3.500 2.583 2.583 2.583 . 0 0 "[ ]" 1
83 1 57 ASN HA 1 58 ASP H 2.600 . 3.500 3.547 3.547 3.547 0.047 1 0 "[ ]" 1
84 1 58 ASP HA 1 59 ALA H 2.600 . 3.500 3.480 3.480 3.480 . 0 0 "[ ]" 1
85 1 60 ASP HA 1 61 LYS H 2.600 . 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
86 1 63 ILE HA 1 64 ASN H 3.400 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
87 1 64 ASN HA 1 65 THR H 3.400 . 5.000 3.267 3.267 3.267 . 0 0 "[ ]" 1
88 1 66 LEU HA 1 67 ASN H 2.600 . 3.500 3.225 3.225 3.225 . 0 0 "[ ]" 1
89 1 67 ASN HA 1 68 GLY H 2.600 . 3.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
90 1 69 LEU HA 1 70 LYS H 2.100 . 2.500 2.237 2.237 2.237 . 0 0 "[ ]" 1
91 1 70 LYS HA 1 71 LEU H 2.100 . 2.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
92 1 71 LEU HA 1 72 GLN H 2.100 . 2.500 2.537 2.537 2.537 0.037 1 0 "[ ]" 1
93 1 72 GLN HA 1 73 THR H 2.600 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
94 1 73 THR HA 1 74 LYS H 2.600 . 3.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
95 1 74 LYS HA 1 75 THR H 2.100 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 1
96 1 76 ILE HA 1 77 LYS H 2.600 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
97 1 77 LYS HA 1 78 VAL H 2.600 . 3.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
98 1 78 VAL HA 1 79 SER H 2.600 . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 1
99 1 79 SER HA 1 80 TYR H 2.100 . 2.500 2.235 2.235 2.235 . 0 0 "[ ]" 1
100 1 80 TYR HA 1 81 ALA H 2.600 . 3.500 2.203 2.203 2.203 . 0 0 "[ ]" 1
101 1 81 ALA HA 1 82 ARG H 2.100 . 2.500 2.204 2.204 2.204 . 0 0 "[ ]" 1
102 1 85 SER HA 1 86 ALA H 2.600 . 3.500 3.521 3.521 3.521 0.021 1 0 "[ ]" 1
103 1 6 ASN HB2 1 7 LEU H 3.400 . 5.000 3.670 3.670 3.670 . 0 0 "[ ]" 1
104 1 7 LEU MD1 1 8 ILE H 3.100 . 4.500 3.575 3.575 3.575 . 0 0 "[ ]" 1
105 1 9 VAL MG2 1 10 ASN H 3.900 . 6.000 3.999 3.999 3.999 . 0 0 "[ ]" 1
106 1 9 VAL MG1 1 10 ASN H 3.100 . 4.500 1.948 1.948 1.948 . 0 0 "[ ]" 1
107 1 10 ASN QB 1 11 TYR H 3.100 . 4.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
108 1 13 PRO QB 1 14 GLN H 3.900 . 6.000 2.829 2.829 2.829 . 0 0 "[ ]" 1
109 1 14 GLN QB 1 15 ASN H 3.100 . 4.500 2.662 2.662 2.662 . 0 0 "[ ]" 1
110 1 14 GLN QG 1 15 ASN H 3.100 . 4.500 1.850 1.850 1.850 . 0 0 "[ ]" 1
111 1 15 ASN HB2 1 16 MET H 3.400 . 5.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
112 1 16 MET ME 1 17 THR H 3.900 . 6.000 3.825 3.825 3.825 . 0 0 "[ ]" 1
113 1 16 MET HB3 1 17 THR H 3.400 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
114 1 16 MET HG2 1 17 THR H 2.600 . 3.500 3.347 3.347 3.347 . 0 0 "[ ]" 1
115 1 17 THR HB 1 18 GLN H 2.600 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
116 1 18 GLN QB 1 19 ASP H 3.100 . 4.500 2.835 2.835 2.835 . 0 0 "[ ]" 1
117 1 20 GLU QB 1 21 PHE H 3.900 . 6.000 3.203 3.203 3.203 . 0 0 "[ ]" 1
118 1 21 PHE HB3 1 22 LYS H 2.600 . 3.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
119 1 22 LYS HB2 1 23 SER H 2.600 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
120 1 22 LYS HB3 1 23 SER H 2.600 . 3.500 2.240 2.240 2.240 . 0 0 "[ ]" 1
121 1 23 SER QB 1 24 LEU H 3.100 . 4.500 3.273 3.273 3.273 . 0 0 "[ ]" 1
122 1 24 LEU HB2 1 25 PHE H 3.400 . 5.000 3.397 3.397 3.397 . 0 0 "[ ]" 1
123 1 24 LEU HB3 1 25 PHE H 2.600 . 3.500 1.974 1.974 1.974 . 0 0 "[ ]" 1
124 1 25 PHE HB2 1 26 GLY H 3.400 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
125 1 28 ILE HB 1 29 GLY H 2.600 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
126 1 28 ILE MG 1 29 GLY H 3.900 . 6.000 3.604 3.604 3.604 . 0 0 "[ ]" 1
127 1 28 ILE QG 1 29 GLY H 3.100 . 4.500 3.890 3.890 3.890 . 0 0 "[ ]" 1
128 1 30 ASP QB 1 31 ILE H 3.100 . 4.500 4.060 4.060 4.060 . 0 0 "[ ]" 1
129 1 31 ILE MG 1 32 GLU H 3.100 . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
130 1 32 GLU QB 1 33 SER H 3.100 . 4.500 2.891 2.891 2.891 . 0 0 "[ ]" 1
131 1 32 GLU QG 1 33 SER H 3.900 . 6.000 4.505 4.505 4.505 . 0 0 "[ ]" 1
132 1 33 SER QB 1 34 CYS H 3.100 . 4.500 3.806 3.806 3.806 . 0 0 "[ ]" 1
133 1 34 CYS HB3 1 35 LYS H 2.600 . 3.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
134 1 36 LEU MD2 1 37 VAL H 3.100 . 4.500 1.846 1.846 1.846 . 0 0 "[ ]" 1
135 1 37 VAL MG1 1 38 ARG H 3.100 . 4.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
136 1 39 ASP QB 1 40 LYS H 3.100 . 4.500 2.535 2.535 2.535 . 0 0 "[ ]" 1
137 1 40 LYS QB 1 41 ILE H 3.100 . 4.500 3.667 3.667 3.667 . 0 0 "[ ]" 1
138 1 41 ILE HB 1 42 THR H 2.600 . 3.500 1.846 1.846 1.846 . 0 0 "[ ]" 1
139 1 41 ILE MG 1 42 THR H 3.100 . 4.500 2.283 2.283 2.283 . 0 0 "[ ]" 1
140 1 41 ILE QG 1 42 THR H 3.100 . 4.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
141 1 42 THR HB 1 43 GLY H 2.600 . 3.500 3.619 3.619 3.619 0.119 1 0 "[ ]" 1
142 1 42 THR MG 1 43 GLY H 3.900 . 6.000 1.749 1.749 1.749 0.051 1 0 "[ ]" 1
143 1 44 GLN QB 1 45 SER H 3.100 . 4.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
144 1 44 GLN QG 1 45 SER H 3.100 . 4.500 2.950 2.950 2.950 . 0 0 "[ ]" 1
145 1 45 SER QB 1 46 LEU H 3.900 . 6.000 3.010 3.010 3.010 . 0 0 "[ ]" 1
146 1 48 TYR QD 1 49 GLY H 3.600 . 5.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
147 1 50 PHE QD 1 51 VAL H 3.600 . 5.500 3.266 3.266 3.266 . 0 0 "[ ]" 1
148 1 50 PHE HB3 1 51 VAL H 2.600 . 3.500 3.034 3.034 3.034 . 0 0 "[ ]" 1
149 1 51 VAL MG1 1 52 ASN H 3.100 . 4.500 2.080 2.080 2.080 . 0 0 "[ ]" 1
150 1 53 TYR QD 1 54 SER H 3.600 . 5.500 3.908 3.908 3.908 . 0 0 "[ ]" 1
151 1 53 TYR HB3 1 54 SER H 3.400 . 5.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
152 1 56 PRO QB 1 57 ASN H 3.100 . 4.500 3.392 3.392 3.392 . 0 0 "[ ]" 1
153 1 56 PRO QD 1 57 ASN H 3.100 . 4.500 2.347 2.347 2.347 . 0 0 "[ ]" 1
154 1 58 ASP QB 1 59 ALA H 3.100 . 4.500 2.892 2.892 2.892 . 0 0 "[ ]" 1
155 1 59 ALA MB 1 60 ASP H 3.100 . 4.500 2.541 2.541 2.541 . 0 0 "[ ]" 1
156 1 61 LYS QB 1 62 ALA H 3.100 . 4.500 3.307 3.307 3.307 . 0 0 "[ ]" 1
157 1 62 ALA MB 1 63 ILE H 3.100 . 4.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
158 1 63 ILE HB 1 64 ASN H 2.600 . 3.500 2.999 2.999 2.999 . 0 0 "[ ]" 1
159 1 63 ILE MD 1 64 ASN H 3.900 . 6.000 4.767 4.767 4.767 . 0 0 "[ ]" 1
160 1 63 ILE MG 1 64 ASN H 3.100 . 4.500 3.526 3.526 3.526 . 0 0 "[ ]" 1
161 1 63 ILE QG 1 64 ASN H 3.900 . 6.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
162 1 64 ASN QB 1 65 THR H 3.100 . 4.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
163 1 67 ASN QB 1 68 GLY H 3.100 . 4.500 4.053 4.053 4.053 . 0 0 "[ ]" 1
164 1 69 LEU MD2 1 70 LYS H 3.100 . 4.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
165 1 71 LEU HB3 1 72 GLN H 2.600 . 3.500 2.257 2.257 2.257 . 0 0 "[ ]" 1
166 1 71 LEU MD2 1 72 GLN H 3.100 . 4.500 3.134 3.134 3.134 . 0 0 "[ ]" 1
167 1 72 GLN QB 1 73 THR H 3.100 . 4.500 2.732 2.732 2.732 . 0 0 "[ ]" 1
168 1 74 LYS HB2 1 75 THR H 3.400 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
169 1 74 LYS HB3 1 75 THR H 2.600 . 3.500 2.344 2.344 2.344 . 0 0 "[ ]" 1
170 1 75 THR MG 1 76 ILE H 3.100 . 4.500 3.022 3.022 3.022 . 0 0 "[ ]" 1
171 1 76 ILE MD 1 77 LYS H 3.900 . 6.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
172 1 78 VAL MG1 1 79 SER H 3.100 . 4.500 1.904 1.904 1.904 . 0 0 "[ ]" 1
173 1 78 VAL MG2 1 79 SER H 3.100 . 4.500 3.810 3.810 3.810 . 0 0 "[ ]" 1
174 1 79 SER QB 1 80 TYR H 3.100 . 4.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
175 1 80 TYR QD 1 81 ALA H 3.600 . 5.500 3.810 3.810 3.810 . 0 0 "[ ]" 1
176 1 80 TYR HB2 1 81 ALA H 3.400 . 5.000 4.344 4.344 4.344 . 0 0 "[ ]" 1
177 1 81 ALA MB 1 82 ARG H 3.100 . 4.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
178 1 86 ALA MB 1 87 SER H 3.900 . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
179 1 8 ILE QG 1 9 VAL HA 3.100 . 4.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
180 1 8 ILE HA 1 9 VAL MG2 3.100 . 4.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
181 1 12 LEU MD2 1 13 PRO QD 3.600 . 5.500 2.648 2.648 2.648 . 0 0 "[ ]" 1
182 1 12 LEU HA 1 13 PRO QD 3.100 . 4.500 1.839 1.839 1.839 . 0 0 "[ ]" 1
183 1 41 ILE MG 1 42 THR HA 3.100 . 4.500 3.237 3.237 3.237 . 0 0 "[ ]" 1
184 1 41 ILE MG 1 42 THR HB 3.100 . 4.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
185 1 41 ILE HB 1 42 THR MG 3.100 . 4.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
186 1 50 PHE HA 1 51 VAL MG2 3.900 . 6.000 3.955 3.955 3.955 . 0 0 "[ ]" 1
187 1 52 ASN HA 1 53 TYR QD 4.400 . 7.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
188 1 55 ASP HA 1 56 PRO QD 3.100 . 4.500 1.964 1.964 1.964 . 0 0 "[ ]" 1
189 1 55 ASP HA 1 56 PRO QG 3.900 . 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
190 1 63 ILE MG 1 64 ASN HA 3.100 . 4.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
191 1 65 THR MG 1 66 LEU QD 3.900 . 6.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
192 1 77 LYS HA 1 78 VAL MG2 3.900 . 6.000 3.817 3.817 3.817 . 0 0 "[ ]" 1
193 1 79 SER HA 1 80 TYR QD 4.400 . 7.000 3.939 3.939 3.939 . 0 0 "[ ]" 1
194 1 5 THR MG 1 32 GLU QG 3.600 . 5.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
195 1 5 THR MG 1 55 ASP HA 3.100 . 4.500 3.308 3.308 3.308 . 0 0 "[ ]" 1
196 1 7 LEU H 1 51 VAL HB 3.400 . 5.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
197 1 7 LEU H 1 51 VAL H 3.400 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
198 1 7 LEU H 1 52 ASN HA 2.600 . 3.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
199 1 7 LEU MD1 1 59 ALA MB 3.600 . 5.500 2.431 2.431 2.431 . 0 0 "[ ]" 1
200 1 7 LEU MD2 1 59 ALA HA 3.100 . 4.500 2.973 2.973 2.973 . 0 0 "[ ]" 1
201 1 7 LEU MD2 1 59 ALA MB 3.600 . 5.500 1.683 1.683 1.683 0.117 1 0 "[ ]" 1
202 1 7 LEU MD1 1 63 ILE QG 3.600 . 5.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
203 1 7 LEU MD1 1 78 VAL MG1 3.600 . 5.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
204 1 7 LEU MD1 1 79 SER HA 3.900 . 6.000 4.879 4.879 4.879 . 0 0 "[ ]" 1
205 1 8 ILE H 1 79 SER H 3.400 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
206 1 8 ILE MG 1 79 SER QB 3.600 . 5.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
207 1 8 ILE H 1 80 TYR HA 3.400 . 5.000 3.232 3.232 3.232 . 0 0 "[ ]" 1
208 1 8 ILE H 1 81 ALA H 2.600 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
209 1 8 ILE H 1 81 ALA MB 3.100 . 4.500 2.637 2.637 2.637 . 0 0 "[ ]" 1
210 1 8 ILE MD 1 81 ALA HA 3.900 . 6.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
211 1 8 ILE MD 1 81 ALA MB 3.600 . 5.500 3.433 3.433 3.433 . 0 0 "[ ]" 1
212 1 8 ILE MG 1 81 ALA HA 3.100 . 4.500 1.810 1.810 1.810 . 0 0 "[ ]" 1
213 1 8 ILE MG 1 81 ALA MB 3.600 . 5.500 2.684 2.684 2.684 . 0 0 "[ ]" 1
214 1 9 VAL H 1 49 GLY H 2.600 . 3.500 3.416 3.416 3.416 . 0 0 "[ ]" 1
215 1 10 ASN H 1 77 LYS H 2.600 . 3.500 3.557 3.557 3.557 0.057 1 0 "[ ]" 1
216 1 10 ASN H 1 78 VAL HA 3.400 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
217 1 11 TYR QD 1 77 LYS QB 4.200 . 6.500 2.985 2.985 2.985 . 0 0 "[ ]" 1
218 1 11 TYR QE 1 77 LYS QB 4.200 . 6.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
219 1 11 TYR QE 1 77 LYS QE 4.900 . 8.000 5.767 5.767 5.767 . 0 0 "[ ]" 1
220 1 10 ASN HA 1 12 LEU H 3.400 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
221 1 12 LEU MD1 1 16 MET ME 4.400 . 7.000 4.212 4.212 4.212 . 0 0 "[ ]" 1
222 1 12 LEU MD2 1 16 MET ME 3.600 . 5.500 3.582 3.582 3.582 . 0 0 "[ ]" 1
223 1 12 LEU MD1 1 36 LEU MD2 3.600 . 5.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
224 1 12 LEU MD1 1 47 GLY QA 3.600 . 5.500 3.721 3.721 3.721 . 0 0 "[ ]" 1
225 1 12 LEU H 1 48 TYR QB 3.100 . 4.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
226 1 12 LEU MD1 1 48 TYR HA 3.100 . 4.500 2.161 2.161 2.161 . 0 0 "[ ]" 1
227 1 13 PRO QB 1 15 ASN H 3.100 . 4.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
228 1 16 MET ME 1 21 PHE HA 3.100 . 4.500 2.136 2.136 2.136 . 0 0 "[ ]" 1
229 1 17 THR H 1 20 GLU QB 3.900 . 6.000 1.807 1.807 1.807 . 0 0 "[ ]" 1
230 1 18 GLN H 1 36 LEU MD1 3.100 . 4.500 3.501 3.501 3.501 . 0 0 "[ ]" 1
231 1 9 VAL HB 1 21 PHE QE 3.600 . 5.500 2.634 2.634 2.634 . 0 0 "[ ]" 1
232 1 9 VAL MG2 1 21 PHE QE 4.200 . 6.500 1.989 1.989 1.989 . 0 0 "[ ]" 1
233 1 9 VAL MG1 1 21 PHE QE 4.200 . 6.500 2.125 2.125 2.125 . 0 0 "[ ]" 1
234 1 9 VAL HB 1 21 PHE HZ 2.600 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
235 1 9 VAL MG2 1 21 PHE HZ 3.100 . 4.500 1.825 1.825 1.825 . 0 0 "[ ]" 1
236 1 9 VAL MG1 1 21 PHE HZ 3.100 . 4.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
237 1 12 LEU MD2 1 21 PHE QD 4.200 . 6.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
238 1 12 LEU MD1 1 21 PHE QE 4.200 . 6.500 3.470 3.470 3.470 . 0 0 "[ ]" 1
239 1 12 LEU MD2 1 21 PHE QE 4.200 . 6.500 2.982 2.982 2.982 . 0 0 "[ ]" 1
240 1 16 MET HG2 1 21 PHE H 3.400 . 5.000 4.721 4.721 4.721 . 0 0 "[ ]" 1
241 1 18 GLN HA 1 21 PHE QD 3.600 . 5.500 3.826 3.826 3.826 . 0 0 "[ ]" 1
242 1 18 GLN HA 1 21 PHE HB2 2.600 . 3.500 3.572 3.572 3.572 0.072 1 0 "[ ]" 1
243 1 18 GLN HA 1 21 PHE HB3 2.600 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
244 1 21 PHE QD 1 36 LEU MD2 4.200 . 6.500 4.459 4.459 4.459 . 0 0 "[ ]" 1
245 1 21 PHE QE 1 49 GLY HA3 4.400 . 7.000 2.969 2.969 2.969 . 0 0 "[ ]" 1
246 1 21 PHE QE 1 49 GLY HA2 3.600 . 5.500 4.262 4.262 4.262 . 0 0 "[ ]" 1
247 1 21 PHE HZ 1 49 GLY HA3 2.600 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
248 1 21 PHE HZ 1 49 GLY HA2 3.400 . 5.000 5.008 5.008 5.008 0.008 1 0 "[ ]" 1
249 1 21 PHE HZ 1 51 VAL MG2 3.100 . 4.500 1.880 1.880 1.880 . 0 0 "[ ]" 1
250 1 21 PHE HZ 1 51 VAL MG1 3.900 . 6.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
251 1 19 ASP HA 1 22 LYS QD 3.100 . 4.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
252 1 16 MET ME 1 24 LEU MD1 3.600 . 5.500 3.202 3.202 3.202 . 0 0 "[ ]" 1
253 1 16 MET ME 1 24 LEU MD2 3.600 . 5.500 2.846 2.846 2.846 . 0 0 "[ ]" 1
254 1 9 VAL HB 1 25 PHE QE 3.600 . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
255 1 9 VAL MG2 1 25 PHE QE 4.900 . 8.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
256 1 9 VAL MG1 1 25 PHE QE 4.200 . 6.500 2.602 2.602 2.602 . 0 0 "[ ]" 1
257 1 9 VAL HA 1 25 PHE HZ 3.400 . 5.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
258 1 9 VAL MG2 1 25 PHE HZ 2.600 . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
259 1 9 VAL MG1 1 25 PHE HZ 2.600 . 3.500 2.495 2.495 2.495 . 0 0 "[ ]" 1
260 1 21 PHE QE 1 25 PHE QD 4.700 . 7.500 3.207 3.207 3.207 . 0 0 "[ ]" 1
261 1 22 LYS HA 1 25 PHE H 3.400 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
262 1 25 PHE QD 1 31 ILE MD 4.200 . 6.500 3.746 3.746 3.746 . 0 0 "[ ]" 1
263 1 25 PHE QE 1 51 VAL MG2 4.200 . 6.500 4.405 4.405 4.405 . 0 0 "[ ]" 1
264 1 25 PHE QE 1 51 VAL MG1 4.200 . 6.500 4.447 4.447 4.447 . 0 0 "[ ]" 1
265 1 25 PHE QD 1 53 TYR QE 4.700 . 7.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
266 1 25 PHE HZ 1 66 LEU HB2 2.600 . 3.500 3.466 3.466 3.466 . 0 0 "[ ]" 1
267 1 25 PHE HZ 1 66 LEU QD 3.900 . 6.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
268 1 25 PHE QE 1 78 VAL MG1 4.200 . 6.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
269 1 25 PHE HZ 1 78 VAL MG1 3.100 . 4.500 3.102 3.102 3.102 . 0 0 "[ ]" 1
270 1 25 PHE HZ 1 78 VAL MG2 2.600 . 3.500 1.721 1.721 1.721 0.079 1 0 "[ ]" 1
271 1 23 SER HA 1 26 GLY H 2.600 . 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 1
272 1 26 GLY H 1 31 ILE MD 3.100 . 4.500 3.428 3.428 3.428 . 0 0 "[ ]" 1
273 1 24 LEU HA 1 27 SER H 3.400 . 5.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
274 1 28 ILE MG 1 58 ASP QB 4.400 . 7.000 4.072 4.072 4.072 . 0 0 "[ ]" 1
275 1 28 ILE MG 1 61 LYS QB 3.600 . 5.500 4.164 4.164 4.164 . 0 0 "[ ]" 1
276 1 28 ILE MG 1 62 ALA HA 3.100 . 4.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
277 1 25 PHE HB2 1 31 ILE MD 3.100 . 4.500 2.321 2.321 2.321 . 0 0 "[ ]" 1
278 1 25 PHE HB3 1 31 ILE MD 3.100 . 4.500 1.898 1.898 1.898 . 0 0 "[ ]" 1
279 1 26 GLY HA3 1 31 ILE MD 3.100 . 4.500 3.325 3.325 3.325 . 0 0 "[ ]" 1
280 1 26 GLY HA2 1 31 ILE MD 3.100 . 4.500 2.034 2.034 2.034 . 0 0 "[ ]" 1
281 1 31 ILE MG 1 33 SER HA 3.100 . 4.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
282 1 31 ILE MG 1 34 CYS HB2 3.100 . 4.500 3.745 3.745 3.745 . 0 0 "[ ]" 1
283 1 31 ILE MG 1 34 CYS HB3 3.100 . 4.500 3.125 3.125 3.125 . 0 0 "[ ]" 1
284 1 31 ILE HA 1 53 TYR HA 2.600 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1
285 1 31 ILE MG 1 53 TYR HA 3.100 . 4.500 3.555 3.555 3.555 . 0 0 "[ ]" 1
286 1 32 GLU H 1 53 TYR HA 2.600 . 3.500 2.484 2.484 2.484 . 0 0 "[ ]" 1
287 1 32 GLU H 1 54 SER H 3.400 . 5.000 3.400 3.400 3.400 . 0 0 "[ ]" 1
288 1 32 GLU QB 1 54 SER HA 3.100 . 4.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
289 1 32 GLU QB 1 54 SER QB 4.400 . 7.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
290 1 32 GLU QG 1 54 SER HA 3.100 . 4.500 2.062 2.062 2.062 . 0 0 "[ ]" 1
291 1 31 ILE HA 1 33 SER H 2.600 . 3.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
292 1 31 ILE MG 1 33 SER H 3.100 . 4.500 2.163 2.163 2.163 . 0 0 "[ ]" 1
293 1 33 SER H 1 53 TYR HA 3.400 . 5.000 4.500 4.500 4.500 . 0 0 "[ ]" 1
294 1 31 ILE MG 1 34 CYS H 3.100 . 4.500 2.743 2.743 2.743 . 0 0 "[ ]" 1
295 1 34 CYS HB3 1 51 VAL HA 3.400 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
296 1 21 PHE QD 1 35 LYS H 4.400 . 7.000 3.761 3.761 3.761 . 0 0 "[ ]" 1
297 1 21 PHE QE 1 35 LYS H 3.600 . 5.500 2.929 2.929 2.929 . 0 0 "[ ]" 1
298 1 35 LYS H 1 50 PHE H 2.600 . 3.500 3.352 3.352 3.352 . 0 0 "[ ]" 1
299 1 35 LYS H 1 51 VAL HA 2.600 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
300 1 17 THR HA 1 36 LEU MD1 3.100 . 4.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
301 1 18 GLN QB 1 36 LEU H 3.900 . 6.000 4.923 4.923 4.923 . 0 0 "[ ]" 1
302 1 18 GLN QB 1 36 LEU HB3 3.100 . 4.500 3.530 3.530 3.530 . 0 0 "[ ]" 1
303 1 18 GLN HA 1 36 LEU MD1 3.100 . 4.500 2.536 2.536 2.536 . 0 0 "[ ]" 1
304 1 36 LEU MD1 1 38 ARG QD 4.400 . 7.000 4.406 4.406 4.406 . 0 0 "[ ]" 1
305 1 37 VAL MG2 1 46 LEU HB2 3.100 . 4.500 2.606 2.606 2.606 . 0 0 "[ ]" 1
306 1 37 VAL MG2 1 46 LEU HB3 3.100 . 4.500 3.567 3.567 3.567 . 0 0 "[ ]" 1
307 1 37 VAL MG1 1 46 LEU HG 3.100 . 4.500 1.818 1.818 1.818 . 0 0 "[ ]" 1
308 1 37 VAL MG1 1 46 LEU HB2 3.100 . 4.500 1.832 1.832 1.832 . 0 0 "[ ]" 1
309 1 37 VAL MG1 1 46 LEU HB3 3.100 . 4.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
310 1 37 VAL MG1 1 46 LEU QD 3.900 . 6.000 1.734 1.734 1.734 0.166 1 0 "[ ]" 1
311 1 37 VAL H 1 48 TYR H 3.400 . 5.000 4.263 4.263 4.263 . 0 0 "[ ]" 1
312 1 38 ARG HE 1 43 GLY QA 3.900 . 6.000 4.811 4.811 4.811 . 0 0 "[ ]" 1
313 1 39 ASP QB 1 43 GLY QA 3.600 . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
314 1 39 ASP H 1 44 GLN H 3.400 . 5.000 4.295 4.295 4.295 . 0 0 "[ ]" 1
315 1 39 ASP H 1 46 LEU QD 3.900 . 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
316 1 41 ILE H 1 43 GLY H 2.600 . 3.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
317 1 39 ASP QB 1 42 THR H 3.900 . 6.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
318 1 42 THR MG 1 44 GLN QG 3.600 . 5.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
319 1 39 ASP QB 1 43 GLY H 3.900 . 6.000 3.489 3.489 3.489 . 0 0 "[ ]" 1
320 1 39 ASP QB 1 44 GLN H 3.100 . 4.500 3.837 3.837 3.837 . 0 0 "[ ]" 1
321 1 42 THR HB 1 44 GLN H 3.400 . 5.000 4.572 4.572 4.572 . 0 0 "[ ]" 1
322 1 42 THR H 1 44 GLN H 3.400 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
323 1 39 ASP QB 1 46 LEU QD 4.400 . 6.900 4.120 4.120 4.120 . 0 0 "[ ]" 1
324 1 45 SER HA 1 47 GLY H 3.400 . 5.000 3.764 3.764 3.764 . 0 0 "[ ]" 1
325 1 8 ILE MD 1 48 TYR QD 4.200 . 6.500 3.192 3.192 3.192 . 0 0 "[ ]" 1
326 1 8 ILE QG 1 48 TYR QD 4.200 . 6.500 2.943 2.943 2.943 . 0 0 "[ ]" 1
327 1 8 ILE MD 1 48 TYR QE 4.200 . 6.500 3.565 3.565 3.565 . 0 0 "[ ]" 1
328 1 10 ASN HA 1 48 TYR QD 4.400 . 7.000 4.113 4.113 4.113 . 0 0 "[ ]" 1
329 1 10 ASN QB 1 48 TYR QD 4.200 . 6.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
330 1 10 ASN HA 1 48 TYR QB 3.100 . 4.500 1.994 1.994 1.994 . 0 0 "[ ]" 1
331 1 12 LEU HB2 1 48 TYR H 2.600 . 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
332 1 12 LEU MD1 1 48 TYR H 3.100 . 4.500 2.802 2.802 2.802 . 0 0 "[ ]" 1
333 1 36 LEU MD2 1 48 TYR H 3.100 . 4.500 3.485 3.485 3.485 . 0 0 "[ ]" 1
334 1 37 VAL MG2 1 48 TYR QD 4.200 . 6.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
335 1 37 VAL MG1 1 48 TYR QD 4.200 . 6.500 4.121 4.121 4.121 . 0 0 "[ ]" 1
336 1 37 VAL HB 1 48 TYR QE 3.100 . 4.500 4.179 4.179 4.179 . 0 0 "[ ]" 1
337 1 37 VAL MG2 1 48 TYR QE 4.200 . 6.500 2.412 2.412 2.412 . 0 0 "[ ]" 1
338 1 37 VAL MG1 1 48 TYR QE 4.200 . 6.500 2.977 2.977 2.977 . 0 0 "[ ]" 1
339 1 37 VAL MG2 1 48 TYR H 3.100 . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
340 1 9 VAL MG1 1 49 GLY H 3.100 . 4.500 3.694 3.694 3.694 . 0 0 "[ ]" 1
341 1 10 ASN HA 1 49 GLY H 2.600 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
342 1 8 ILE HA 1 50 PHE QD 3.600 . 5.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
343 1 8 ILE HB 1 50 PHE QD 3.600 . 5.500 2.519 2.519 2.519 . 0 0 "[ ]" 1
344 1 8 ILE MD 1 50 PHE QD 4.200 . 6.500 3.417 3.417 3.417 . 0 0 "[ ]" 1
345 1 8 ILE QG 1 50 PHE QD 4.900 . 8.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
346 1 8 ILE HB 1 50 PHE QE 3.600 . 5.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
347 1 8 ILE MD 1 50 PHE QE 4.200 . 6.500 1.851 1.851 1.851 . 0 0 "[ ]" 1
348 1 8 ILE MG 1 50 PHE QE 4.200 . 6.500 3.654 3.654 3.654 . 0 0 "[ ]" 1
349 1 8 ILE QG 1 50 PHE QE 4.900 . 8.000 2.482 2.482 2.482 . 0 0 "[ ]" 1
350 1 21 PHE QE 1 50 PHE H 3.600 . 5.500 2.816 2.816 2.816 . 0 0 "[ ]" 1
351 1 21 PHE HZ 1 50 PHE H 3.400 . 5.000 4.201 4.201 4.201 . 0 0 "[ ]" 1
352 1 37 VAL MG2 1 50 PHE QE 4.200 . 6.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
353 1 48 TYR QD 1 50 PHE QE 4.700 . 7.500 4.061 4.061 4.061 . 0 0 "[ ]" 1
354 1 48 TYR QE 1 50 PHE QE 4.700 . 7.500 2.381 2.381 2.381 . 0 0 "[ ]" 1
355 1 48 TYR QD 1 50 PHE HZ 4.400 . 7.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
356 1 48 TYR QE 1 50 PHE HZ 3.600 . 5.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
357 1 50 PHE QE 1 81 ALA MB 4.200 . 6.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
358 1 7 LEU HG 1 51 VAL MG1 3.100 . 4.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
359 1 7 LEU HB3 1 51 VAL MG1 3.100 . 4.500 2.947 2.947 2.947 . 0 0 "[ ]" 1
360 1 7 LEU MD2 1 51 VAL MG1 3.600 . 5.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
361 1 25 PHE HB2 1 51 VAL MG2 3.900 . 6.000 2.823 2.823 2.823 . 0 0 "[ ]" 1
362 1 25 PHE HB3 1 51 VAL MG2 3.100 . 4.500 3.140 3.140 3.140 . 0 0 "[ ]" 1
363 1 25 PHE HB2 1 51 VAL MG1 3.900 . 6.000 3.426 3.426 3.426 . 0 0 "[ ]" 1
364 1 25 PHE HB3 1 51 VAL MG1 3.100 . 4.500 2.695 2.695 2.695 . 0 0 "[ ]" 1
365 1 31 ILE MD 1 51 VAL MG2 3.600 . 5.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
366 1 31 ILE MG 1 51 VAL MG2 3.100 . 4.500 2.736 2.736 2.736 . 0 0 "[ ]" 1
367 1 31 ILE MD 1 51 VAL MG1 3.600 . 5.500 2.661 2.661 2.661 . 0 0 "[ ]" 1
368 1 31 ILE MG 1 51 VAL MG1 3.600 . 5.500 1.727 1.727 1.727 0.073 1 0 "[ ]" 1
369 1 34 CYS HA 1 51 VAL MG2 3.100 . 4.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
370 1 34 CYS HB3 1 51 VAL MG2 3.100 . 4.500 2.749 2.749 2.749 . 0 0 "[ ]" 1
371 1 34 CYS HB3 1 51 VAL MG1 3.900 . 6.000 4.251 4.251 4.251 . 0 0 "[ ]" 1
372 1 31 ILE MG 1 52 ASN H 3.900 . 6.000 1.910 1.910 1.910 . 0 0 "[ ]" 1
373 1 33 SER H 1 52 ASN H 2.600 . 3.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
374 1 34 CYS HA 1 52 ASN H 2.600 . 3.500 3.168 3.168 3.168 . 0 0 "[ ]" 1
375 1 5 THR HB 1 53 TYR H 2.600 . 3.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
376 1 7 LEU HG 1 53 TYR QD 3.600 . 5.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
377 1 7 LEU HG 1 53 TYR QE 4.400 . 7.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
378 1 7 LEU MD2 1 53 TYR QE 3.600 . 5.500 4.159 4.159 4.159 . 0 0 "[ ]" 1
379 1 25 PHE QD 1 53 TYR HH 3.600 . 5.500 2.054 2.054 2.054 . 0 0 "[ ]" 1
380 1 25 PHE HB3 1 53 TYR HH 2.600 . 3.500 2.128 2.128 2.128 . 0 0 "[ ]" 1
381 1 28 ILE HB 1 53 TYR QE 3.600 . 5.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
382 1 28 ILE MD 1 53 TYR QE 4.200 . 6.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
383 1 28 ILE MG 1 53 TYR QE 4.200 . 6.500 2.607 2.607 2.607 . 0 0 "[ ]" 1
384 1 28 ILE MD 1 53 TYR HH 3.900 . 6.000 3.374 3.374 3.374 . 0 0 "[ ]" 1
385 1 28 ILE MG 1 53 TYR HH 3.100 . 4.500 3.536 3.536 3.536 . 0 0 "[ ]" 1
386 1 31 ILE MD 1 53 TYR QD 4.200 . 6.500 4.527 4.527 4.527 . 0 0 "[ ]" 1
387 1 31 ILE HA 1 53 TYR QE 3.600 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
388 1 31 ILE MD 1 53 TYR QE 4.200 . 6.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
389 1 31 ILE MD 1 53 TYR HH 3.100 . 4.500 3.236 3.236 3.236 . 0 0 "[ ]" 1
390 1 51 VAL MG2 1 53 TYR QE 4.200 . 6.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
391 1 51 VAL MG1 1 53 TYR QE 4.200 . 6.500 1.689 1.689 1.689 0.111 1 0 "[ ]" 1
392 1 51 VAL MG1 1 53 TYR HH 3.100 . 4.500 3.444 3.444 3.444 . 0 0 "[ ]" 1
393 1 53 TYR QD 1 58 ASP QB 4.200 . 6.500 2.082 2.082 2.082 . 0 0 "[ ]" 1
394 1 53 TYR QD 1 59 ALA MB 4.200 . 6.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
395 1 53 TYR H 1 59 ALA MB 3.100 . 4.500 3.525 3.525 3.525 . 0 0 "[ ]" 1
396 1 53 TYR QE 1 62 ALA MB 3.600 . 5.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
397 1 32 GLU QG 1 54 SER H 3.100 . 4.500 3.698 3.698 3.698 . 0 0 "[ ]" 1
398 1 53 TYR HB3 1 55 ASP H 2.600 . 3.500 2.575 2.575 2.575 . 0 0 "[ ]" 1
399 1 5 THR HA 1 59 ALA MB 3.100 . 4.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
400 1 53 TYR HB3 1 59 ALA H 3.400 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
401 1 59 ALA H 1 61 LYS QB 3.900 . 6.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
402 1 57 ASN HA 1 60 ASP H 2.600 . 3.500 3.526 3.526 3.526 0.026 1 0 "[ ]" 1
403 1 58 ASP HA 1 61 LYS H 2.600 . 3.500 3.447 3.447 3.447 . 0 0 "[ ]" 1
404 1 61 LYS QE 1 65 THR HB 3.100 . 4.500 4.101 4.101 4.101 . 0 0 "[ ]" 1
405 1 58 ASP HA 1 62 ALA H 3.400 . 5.000 4.314 4.314 4.314 . 0 0 "[ ]" 1
406 1 59 ALA HA 1 62 ALA H 3.400 . 5.000 3.372 3.372 3.372 . 0 0 "[ ]" 1
407 1 59 ALA HA 1 62 ALA MB 3.100 . 4.500 2.829 2.829 2.829 . 0 0 "[ ]" 1
408 1 7 LEU MD2 1 63 ILE MD 3.600 . 5.500 3.557 3.557 3.557 . 0 0 "[ ]" 1
409 1 60 ASP HA 1 63 ILE H 2.600 . 3.500 3.399 3.399 3.399 . 0 0 "[ ]" 1
410 1 60 ASP HA 1 63 ILE MD 3.100 . 4.500 2.660 2.660 2.660 . 0 0 "[ ]" 1
411 1 60 ASP QB 1 63 ILE MG 4.400 . 7.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
412 1 63 ILE MG 1 67 ASN QB 3.600 . 5.500 1.826 1.826 1.826 . 0 0 "[ ]" 1
413 1 63 ILE MD 1 78 VAL MG1 3.600 . 5.500 2.832 2.832 2.832 . 0 0 "[ ]" 1
414 1 63 ILE QG 1 78 VAL MG1 3.600 . 5.500 1.717 1.717 1.717 0.083 1 0 "[ ]" 1
415 1 63 ILE QG 1 78 VAL HB 3.100 . 4.500 2.788 2.788 2.788 . 0 0 "[ ]" 1
416 1 61 LYS HA 1 64 ASN H 2.600 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
417 1 61 LYS HA 1 64 ASN QB 3.100 . 4.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
418 1 24 LEU HG 1 66 LEU QD 3.900 . 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
419 1 24 LEU MD1 1 66 LEU QD 4.400 . 6.900 2.133 2.133 2.133 . 0 0 "[ ]" 1
420 1 62 ALA HA 1 66 LEU HG 3.400 . 5.000 3.626 3.626 3.626 . 0 0 "[ ]" 1
421 1 62 ALA MB 1 66 LEU QD 4.400 . 6.900 2.148 2.148 2.148 . 0 0 "[ ]" 1
422 1 62 ALA HA 1 66 LEU QD 3.900 . 6.000 2.021 2.021 2.021 . 0 0 "[ ]" 1
423 1 66 LEU QD 1 69 LEU MD1 3.900 . 6.000 1.792 1.792 1.792 0.108 1 0 "[ ]" 1
424 1 66 LEU QD 1 78 VAL MG1 4.400 . 6.900 3.596 3.596 3.596 . 0 0 "[ ]" 1
425 1 63 ILE HA 1 67 ASN H 2.600 . 3.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
426 1 63 ILE HA 1 67 ASN QB 3.100 . 4.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
427 1 68 GLY H 1 77 LYS HA 2.600 . 3.500 1.849 1.849 1.849 . 0 0 "[ ]" 1
428 1 66 LEU HA 1 69 LEU MD1 3.100 . 4.500 1.852 1.852 1.852 . 0 0 "[ ]" 1
429 1 69 LEU H 1 76 ILE HB 3.400 . 5.000 5.144 5.144 5.144 0.144 1 0 "[ ]" 1
430 1 69 LEU MD1 1 76 ILE MG 3.100 . 4.500 2.669 2.669 2.669 . 0 0 "[ ]" 1
431 1 13 PRO QB 1 71 LEU MD1 3.600 . 5.500 2.820 2.820 2.820 . 0 0 "[ ]" 1
432 1 13 PRO QD 1 71 LEU MD1 3.600 . 5.500 3.186 3.186 3.186 . 0 0 "[ ]" 1
433 1 71 LEU H 1 74 LYS H 2.600 . 3.500 3.284 3.284 3.284 . 0 0 "[ ]" 1
434 1 71 LEU HB2 1 74 LYS HB2 3.400 . 5.000 2.354 2.354 2.354 . 0 0 "[ ]" 1
435 1 71 LEU HB2 1 74 LYS HB3 3.400 . 5.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
436 1 71 LEU H 1 75 THR HA 2.600 . 3.500 3.177 3.177 3.177 . 0 0 "[ ]" 1
437 1 71 LEU H 1 75 THR MG 3.900 . 6.000 4.261 4.261 4.261 . 0 0 "[ ]" 1
438 1 68 GLY HA2 1 75 THR MG 3.100 . 4.500 3.612 3.612 3.612 . 0 0 "[ ]" 1
439 1 70 LYS HA 1 75 THR MG 3.100 . 4.500 3.118 3.118 3.118 . 0 0 "[ ]" 1
440 1 13 PRO QD 1 76 ILE MD 3.600 . 5.500 3.114 3.114 3.114 . 0 0 "[ ]" 1
441 1 70 LYS HA 1 76 ILE H 2.600 . 3.500 3.567 3.567 3.567 0.067 1 0 "[ ]" 1
442 1 11 TYR QD 1 77 LYS H 3.600 . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
443 1 11 TYR HB3 1 77 LYS H 2.600 . 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1
444 1 69 LEU MD1 1 77 LYS H 3.900 . 6.000 4.884 4.884 4.884 . 0 0 "[ ]" 1
445 1 69 LEU HA 1 77 LYS QG 3.900 . 6.000 5.421 5.421 5.421 . 0 0 "[ ]" 1
446 1 63 ILE HA 1 78 VAL HB 2.600 . 3.500 2.655 2.655 2.655 . 0 0 "[ ]" 1
447 1 63 ILE HA 1 78 VAL MG1 3.100 . 4.500 2.728 2.728 2.728 . 0 0 "[ ]" 1
448 1 63 ILE HA 1 78 VAL MG2 3.900 . 6.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
449 1 67 ASN QB 1 78 VAL HB 3.100 . 4.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
450 1 67 ASN HA 1 78 VAL H 2.600 . 3.500 1.834 1.834 1.834 . 0 0 "[ ]" 1
451 1 67 ASN QB 1 78 VAL H 3.100 . 4.500 3.757 3.757 3.757 . 0 0 "[ ]" 1
452 1 67 ASN QB 1 78 VAL MG1 4.400 . 7.000 3.946 3.946 3.946 . 0 0 "[ ]" 1
453 1 67 ASN HA 1 78 VAL MG2 3.100 . 4.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
454 1 67 ASN QB 1 78 VAL MG2 3.600 . 5.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
455 1 8 ILE MG 1 79 SER H 3.100 . 4.500 3.356 3.356 3.356 . 0 0 "[ ]" 1
456 1 9 VAL HA 1 79 SER H 2.600 . 3.500 3.200 3.200 3.200 . 0 0 "[ ]" 1
457 1 63 ILE QG 1 79 SER H 3.900 . 6.000 3.664 3.664 3.664 . 0 0 "[ ]" 1
458 1 7 LEU HA 1 80 TYR QD 4.400 . 7.000 4.409 4.409 4.409 . 0 0 "[ ]" 1
459 1 7 LEU MD1 1 80 TYR QE 4.200 . 6.500 3.455 3.455 3.455 . 0 0 "[ ]" 1
460 1 59 ALA MB 1 80 TYR QD 4.200 . 6.500 4.129 4.129 4.129 . 0 0 "[ ]" 1
461 1 59 ALA MB 1 80 TYR QE 4.200 . 6.500 3.101 3.101 3.101 . 0 0 "[ ]" 1
462 1 60 ASP HA 1 80 TYR QE 3.600 . 5.500 3.562 3.562 3.562 . 0 0 "[ ]" 1
463 1 63 ILE MD 1 80 TYR QD 4.200 . 6.500 2.592 2.592 2.592 . 0 0 "[ ]" 1
464 1 63 ILE QG 1 80 TYR QD 4.200 . 6.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
465 1 63 ILE MD 1 80 TYR QE 4.200 . 6.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
466 1 63 ILE MD 1 80 TYR H 3.100 . 4.500 3.065 3.065 3.065 . 0 0 "[ ]" 1
467 1 6 ASN HB2 1 81 ALA MB 3.100 . 4.500 1.849 1.849 1.849 . 0 0 "[ ]" 1
468 1 7 LEU HA 1 81 ALA H 2.600 . 3.500 2.663 2.663 2.663 . 0 0 "[ ]" 1
469 1 7 LEU MD1 1 81 ALA H 3.100 . 4.500 3.530 3.530 3.530 . 0 0 "[ ]" 1
470 1 7 LEU HA 1 81 ALA MB 3.900 . 6.000 3.465 3.465 3.465 . 0 0 "[ ]" 1
471 1 8 ILE MG 1 81 ALA H 3.900 . 6.000 2.859 2.859 2.859 . 0 0 "[ ]" 1
472 1 8 ILE HB 1 81 ALA MB 3.100 . 4.500 1.850 1.850 1.850 . 0 0 "[ ]" 1
473 1 7 LEU HA 1 80 TYR HA 2.100 . 5.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
474 1 67 ASN HA 1 77 LYS HA 2.100 . 5.000 3.194 3.194 3.194 . 0 0 "[ ]" 1
475 1 11 TYR HB3 1 76 ILE HA 3.100 . 4.500 1.830 1.830 1.830 . 0 0 "[ ]" 1
476 1 11 TYR HB2 1 76 ILE HA 3.100 . 4.500 2.084 2.084 2.084 . 0 0 "[ ]" 1
477 1 38 ARG HA 1 46 LEU H 3.100 . 4.500 4.502 4.502 4.502 0.002 1 0 "[ ]" 1
478 1 38 ARG HA 1 45 SER HA 2.600 . 5.000 3.251 3.251 3.251 . 0 0 "[ ]" 1
479 1 6 ASN H 1 6 ASN HB3 2.600 . 3.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
480 1 6 ASN HA 1 6 ASN HB3 2.600 . 3.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
481 1 7 LEU H 1 7 LEU MD2 3.900 . 6.000 2.581 2.581 2.581 . 0 0 "[ ]" 1
482 1 7 LEU HA 1 7 LEU MD1 3.100 . 4.500 1.844 1.844 1.844 . 0 0 "[ ]" 1
483 1 7 LEU HB3 1 7 LEU MD1 3.100 . 4.500 2.401 2.401 2.401 . 0 0 "[ ]" 1
484 1 8 ILE HA 1 8 ILE HB 2.600 . 3.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
485 1 8 ILE H 1 8 ILE HB 2.600 . 3.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
486 1 8 ILE H 1 8 ILE MG 3.100 . 4.500 1.856 1.856 1.856 . 0 0 "[ ]" 1
487 1 8 ILE HB 1 8 ILE MD 3.100 . 4.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
488 1 8 ILE MD 1 8 ILE MG 3.600 . 5.500 1.950 1.950 1.950 . 0 0 "[ ]" 1
489 1 8 ILE HA 1 8 ILE QG 2.900 . 4.000 2.432 2.432 2.432 . 0 0 "[ ]" 1
490 1 9 VAL H 1 9 VAL HB 2.600 . 3.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
491 1 9 VAL H 1 9 VAL MG2 3.100 . 4.500 2.274 2.274 2.274 . 0 0 "[ ]" 1
492 1 9 VAL HA 1 9 VAL MG2 2.900 . 4.000 2.488 2.488 2.488 . 0 0 "[ ]" 1
493 1 9 VAL HA 1 9 VAL MG1 2.900 . 4.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
494 1 12 LEU H 1 12 LEU HG 2.600 . 3.500 2.168 2.168 2.168 . 0 0 "[ ]" 1
495 1 12 LEU H 1 12 LEU MD1 3.100 . 4.500 3.743 3.743 3.743 . 0 0 "[ ]" 1
496 1 12 LEU HA 1 12 LEU MD2 3.100 . 4.500 1.934 1.934 1.934 . 0 0 "[ ]" 1
497 1 12 LEU HA 1 12 LEU HG 2.600 . 3.500 3.244 3.244 3.244 . 0 0 "[ ]" 1
498 1 15 ASN H 1 15 ASN HB3 2.600 . 3.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
499 1 15 ASN HA 1 15 ASN HB3 2.600 . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
500 1 15 ASN HA 1 15 ASN HB2 2.600 . 3.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
501 1 16 MET H 1 16 MET HB2 2.600 . 3.500 2.371 2.371 2.371 . 0 0 "[ ]" 1
502 1 16 MET H 1 16 MET HB3 2.600 . 3.500 2.776 2.776 2.776 . 0 0 "[ ]" 1
503 1 16 MET HA 1 16 MET HB2 2.600 . 3.500 2.547 2.547 2.547 . 0 0 "[ ]" 1
504 1 17 THR H 1 17 THR MG 3.100 . 4.500 2.488 2.488 2.488 . 0 0 "[ ]" 1
505 1 19 ASP H 1 19 ASP HB3 2.600 . 3.500 2.942 2.942 2.942 . 0 0 "[ ]" 1
506 1 19 ASP HA 1 19 ASP HB3 2.600 . 3.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
507 1 19 ASP HA 1 19 ASP HB2 2.600 . 3.500 2.567 2.567 2.567 . 0 0 "[ ]" 1
508 1 21 PHE HA 1 21 PHE QD 2.600 . 3.500 1.946 1.946 1.946 . 0 0 "[ ]" 1
509 1 21 PHE HB2 1 21 PHE QD 3.100 . 4.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
510 1 21 PHE HB3 1 21 PHE QD 3.100 . 4.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
511 1 21 PHE H 1 21 PHE HB2 2.600 . 3.500 2.629 2.629 2.629 . 0 0 "[ ]" 1
512 1 21 PHE H 1 21 PHE HB3 2.600 . 3.500 2.635 2.635 2.635 . 0 0 "[ ]" 1
513 1 21 PHE HA 1 21 PHE HB2 2.600 . 3.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
514 1 22 LYS H 1 22 LYS HA 2.600 . 3.500 2.886 2.886 2.886 . 0 0 "[ ]" 1
515 1 22 LYS H 1 22 LYS HB2 2.600 . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
516 1 22 LYS H 1 22 LYS HB3 2.600 . 3.500 2.756 2.756 2.756 . 0 0 "[ ]" 1
517 1 22 LYS HA 1 22 LYS HB2 2.600 . 3.500 2.598 2.598 2.598 . 0 0 "[ ]" 1
518 1 22 LYS HA 1 22 LYS QG 2.900 . 4.000 2.301 2.301 2.301 . 0 0 "[ ]" 1
519 1 23 SER H 1 23 SER QB 2.500 . 3.100 2.185 2.185 2.185 . 0 0 "[ ]" 1
520 1 24 LEU H 1 24 LEU HB2 2.600 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1
521 1 24 LEU HB3 1 24 LEU MD1 3.100 . 4.500 2.195 2.195 2.195 . 0 0 "[ ]" 1
522 1 24 LEU HA 1 24 LEU MD2 3.900 . 6.000 1.844 1.844 1.844 . 0 0 "[ ]" 1
523 1 25 PHE HA 1 25 PHE QD 3.100 . 4.500 3.048 3.048 3.048 . 0 0 "[ ]" 1
524 1 25 PHE HB2 1 25 PHE QD 3.100 . 4.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
525 1 25 PHE HB3 1 25 PHE QD 3.100 . 4.500 2.320 2.320 2.320 . 0 0 "[ ]" 1
526 1 25 PHE H 1 25 PHE HB2 2.600 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
527 1 25 PHE HA 1 25 PHE HB3 2.600 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
528 1 26 GLY H 1 26 GLY HA3 2.600 . 3.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
529 1 28 ILE H 1 28 ILE HB 2.600 . 3.500 2.848 2.848 2.848 . 0 0 "[ ]" 1
530 1 28 ILE H 1 28 ILE QG 3.100 . 4.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
531 1 28 ILE HB 1 28 ILE MD 3.100 . 4.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
532 1 28 ILE HA 1 28 ILE MG 3.100 . 4.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
533 1 31 ILE H 1 31 ILE HB 2.600 . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 1
534 1 31 ILE H 1 31 ILE QG 3.100 . 4.500 2.122 2.122 2.122 . 0 0 "[ ]" 1
535 1 31 ILE H 1 31 ILE MD 3.100 . 6.000 2.905 2.905 2.905 . 0 0 "[ ]" 1
536 1 31 ILE HA 1 31 ILE MG 2.900 . 4.000 2.318 2.318 2.318 . 0 0 "[ ]" 1
537 1 31 ILE HA 1 31 ILE QG 2.900 . 4.000 2.414 2.414 2.414 . 0 0 "[ ]" 1
538 1 32 GLU H 1 32 GLU HA 2.600 . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
539 1 32 GLU H 1 32 GLU QB 2.900 . 4.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
540 1 32 GLU H 1 32 GLU QG 3.900 . 6.000 2.692 2.692 2.692 . 0 0 "[ ]" 1
541 1 34 CYS HB2 1 34 CYS HG 2.600 . 3.500 2.459 2.459 2.459 . 0 0 "[ ]" 1
542 1 34 CYS H 1 34 CYS HG 3.400 . 5.000 2.756 2.756 2.756 . 0 0 "[ ]" 1
543 1 34 CYS HA 1 34 CYS HB3 2.600 . 3.500 2.357 2.357 2.357 . 0 0 "[ ]" 1
544 1 36 LEU HA 1 36 LEU HG 2.600 . 3.500 2.241 2.241 2.241 . 0 0 "[ ]" 1
545 1 36 LEU H 1 36 LEU HG 3.400 . 5.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
546 1 36 LEU H 1 36 LEU HB2 2.600 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
547 1 36 LEU H 1 36 LEU HB3 2.600 . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
548 1 36 LEU HA 1 36 LEU HB2 2.600 . 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 1
549 1 36 LEU HA 1 36 LEU MD2 3.100 . 4.500 3.052 3.052 3.052 . 0 0 "[ ]" 1
550 1 36 LEU HB2 1 36 LEU MD1 3.100 . 4.500 2.236 2.236 2.236 . 0 0 "[ ]" 1
551 1 36 LEU HB3 1 36 LEU MD1 3.100 . 4.500 2.482 2.482 2.482 . 0 0 "[ ]" 1
552 1 37 VAL H 1 37 VAL HB 2.600 . 3.500 2.557 2.557 2.557 . 0 0 "[ ]" 1
553 1 37 VAL H 1 37 VAL MG2 3.100 . 4.500 2.071 2.071 2.071 . 0 0 "[ ]" 1
554 1 37 VAL HA 1 37 VAL MG2 2.500 . 3.100 2.447 2.447 2.447 . 0 0 "[ ]" 1
555 1 37 VAL HA 1 37 VAL MG1 2.500 . 3.100 2.282 2.282 2.282 . 0 0 "[ ]" 1
556 1 50 PHE HA 1 50 PHE HB3 2.600 . 3.500 2.597 2.597 2.597 . 0 0 "[ ]" 1
557 1 50 PHE H 1 50 PHE HB2 2.600 . 3.500 2.492 2.492 2.492 . 0 0 "[ ]" 1
558 1 50 PHE H 1 50 PHE QD 3.600 . 5.500 3.605 3.605 3.605 . 0 0 "[ ]" 1
559 1 51 VAL H 1 51 VAL HB 2.600 . 3.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
560 1 51 VAL H 1 51 VAL MG2 3.100 . 4.500 3.315 3.315 3.315 . 0 0 "[ ]" 1
561 1 53 TYR H 1 53 TYR HB2 2.600 . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
562 1 53 TYR HA 1 53 TYR HB3 2.600 . 3.500 2.612 2.612 2.612 . 0 0 "[ ]" 1
563 1 59 ALA H 1 59 ALA MB 2.500 . 3.100 2.242 2.242 2.242 . 0 0 "[ ]" 1
564 1 62 ALA H 1 62 ALA MB 2.500 . 3.100 2.218 2.218 2.218 . 0 0 "[ ]" 1
565 1 63 ILE H 1 63 ILE HB 2.600 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
566 1 63 ILE H 1 63 ILE QG 3.100 . 4.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
567 1 63 ILE HB 1 63 ILE MD 3.100 . 4.500 2.226 2.226 2.226 . 0 0 "[ ]" 1
568 1 71 LEU H 1 71 LEU MD1 3.100 . 4.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
569 1 73 THR H 1 73 THR HA 2.600 . 3.500 2.944 2.944 2.944 . 0 0 "[ ]" 1
570 1 73 THR H 1 73 THR MG 3.100 . 4.500 3.045 3.045 3.045 . 0 0 "[ ]" 1
571 1 75 THR H 1 75 THR HB 2.600 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
572 1 75 THR HA 1 75 THR MG 2.900 . 4.000 2.179 2.179 2.179 . 0 0 "[ ]" 1
573 1 76 ILE H 1 76 ILE HB 2.600 . 3.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
574 1 78 VAL H 1 78 VAL HB 2.600 . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
575 1 78 VAL HA 1 78 VAL MG1 2.900 . 4.000 2.376 2.376 2.376 . 0 0 "[ ]" 1
576 1 78 VAL HA 1 78 VAL MG2 2.900 . 4.000 2.249 2.249 2.249 . 0 0 "[ ]" 1
577 1 78 VAL H 1 78 VAL MG2 3.100 . 4.500 2.514 2.514 2.514 . 0 0 "[ ]" 1
578 1 80 TYR H 1 80 TYR HB2 2.600 . 3.500 2.333 2.333 2.333 . 0 0 "[ ]" 1
579 1 14 GLN HA 1 15 ASN H 2.600 . 5.000 3.588 3.588 3.588 . 0 0 "[ ]" 1
580 1 30 ASP HA 1 32 GLU H 3.100 . 5.000 5.064 5.064 5.064 0.064 1 0 "[ ]" 1
581 1 35 LYS H 1 36 LEU H 3.100 . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
582 1 34 CYS HB2 1 35 LYS H 3.100 . 5.000 3.184 3.184 3.184 . 0 0 "[ ]" 1
583 1 4 LYS QG 1 6 ASN QD 3.900 . 6.000 2.011 2.011 2.011 . 0 0 "[ ]" 1
584 1 8 ILE MD 1 10 ASN QD 3.100 . 4.500 1.982 1.982 1.982 . 0 0 "[ ]" 1
585 1 8 ILE MG 1 10 ASN QD 3.100 . 4.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
586 1 10 ASN QD 1 48 TYR QB 3.900 . 6.000 2.122 2.122 2.122 . 0 0 "[ ]" 1
587 1 10 ASN HA 1 10 ASN QD 2.600 . 3.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
588 1 14 GLN QB 1 14 GLN QE 3.100 . 4.500 3.311 3.311 3.311 . 0 0 "[ ]" 1
589 1 15 ASN HB2 1 15 ASN HD21 2.600 . 3.500 3.585 3.585 3.585 0.085 1 0 "[ ]" 1
590 1 57 ASN H 1 57 ASN QD 2.600 . 3.500 2.777 2.777 2.777 . 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 58
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 2.650
_Distance_constraint_stats_list.Viol_max 1.870
_Distance_constraint_stats_list.Viol_rms 0.2591
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0457
_Distance_constraint_stats_list.Viol_average_violations_only 0.2650
_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 7 LEU 0.000 0.000 . 0 "[ ]"
1 8 ILE 0.000 0.000 . 0 "[ ]"
1 9 VAL 0.000 0.000 . 0 "[ ]"
1 10 ASN 0.019 0.019 1 0 "[ ]"
1 11 TYR 0.000 0.000 . 0 "[ ]"
1 13 PRO 0.010 0.010 1 0 "[ ]"
1 16 MET 2.524 1.870 1 1 [+]
1 17 THR 0.000 0.000 . 0 "[ ]"
1 18 GLN 0.006 0.006 1 0 "[ ]"
1 19 ASP 0.000 0.000 . 0 "[ ]"
1 20 GLU 2.525 1.870 1 1 [+]
1 21 PHE 0.000 0.000 . 0 "[ ]"
1 22 LYS 0.006 0.006 1 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 LEU 0.011 0.011 1 0 "[ ]"
1 25 PHE 0.000 0.000 . 0 "[ ]"
1 26 GLY 0.000 0.000 . 0 "[ ]"
1 33 SER 0.012 0.012 1 0 "[ ]"
1 35 LYS 0.000 0.000 . 0 "[ ]"
1 37 VAL 0.000 0.000 . 0 "[ ]"
1 47 GLY 0.000 0.000 . 0 "[ ]"
1 48 TYR 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 PHE 0.000 0.000 . 0 "[ ]"
1 51 VAL 0.000 0.000 . 0 "[ ]"
1 52 ASN 0.012 0.012 1 0 "[ ]"
1 55 ASP 0.019 0.019 1 0 "[ ]"
1 56 PRO 0.000 0.000 . 0 "[ ]"
1 57 ASN 0.000 0.000 . 0 "[ ]"
1 58 ASP 0.000 0.000 . 0 "[ ]"
1 59 ALA 0.041 0.023 1 0 "[ ]"
1 60 ASP 0.000 0.000 . 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 ALA 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.023 0.023 1 0 "[ ]"
1 66 LEU 0.037 0.037 1 0 "[ ]"
1 69 LEU 0.000 0.000 . 0 "[ ]"
1 71 LEU 0.000 0.000 . 0 "[ ]"
1 74 LYS 0.000 0.000 . 0 "[ ]"
1 76 ILE 0.000 0.000 . 0 "[ ]"
1 77 LYS 0.019 0.019 1 0 "[ ]"
1 78 VAL 0.037 0.037 1 0 "[ ]"
1 79 SER 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 7 LEU N 1 51 VAL O 3.300 2.500 3.500 2.820 2.820 2.820 . 0 0 "[ ]" 2
2 1 7 LEU H 1 51 VAL O 2.300 . 2.500 2.078 2.078 2.078 . 0 0 "[ ]" 2
3 1 7 LEU O 1 51 VAL N 3.300 2.500 3.500 2.826 2.826 2.826 . 0 0 "[ ]" 2
4 1 7 LEU O 1 51 VAL H 2.300 . 2.500 2.138 2.138 2.138 . 0 0 "[ ]" 2
5 1 9 VAL N 1 49 GLY O 3.300 2.500 3.500 3.000 3.000 3.000 . 0 0 "[ ]" 2
6 1 9 VAL H 1 49 GLY O 2.300 . 2.500 2.134 2.134 2.134 . 0 0 "[ ]" 2
7 1 8 ILE N 1 79 SER O 3.300 2.500 3.500 2.818 2.818 2.818 . 0 0 "[ ]" 2
8 1 8 ILE H 1 79 SER O 2.300 . 2.500 2.100 2.100 2.100 . 0 0 "[ ]" 2
9 1 8 ILE O 1 79 SER N 3.300 2.500 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 2
10 1 8 ILE O 1 79 SER H 2.300 . 2.500 2.336 2.336 2.336 . 0 0 "[ ]" 2
11 1 10 ASN N 1 77 LYS O 3.300 2.500 3.500 3.394 3.394 3.394 . 0 0 "[ ]" 2
12 1 10 ASN H 1 77 LYS O 2.300 . 2.500 2.519 2.519 2.519 0.019 1 0 "[ ]" 2
13 1 37 VAL N 1 48 TYR O 3.300 2.500 3.500 3.291 3.291 3.291 . 0 0 "[ ]" 2
14 1 37 VAL H 1 48 TYR O 2.300 . 2.500 2.411 2.411 2.411 . 0 0 "[ ]" 2
15 1 35 LYS O 1 50 PHE N 3.300 2.500 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 2
16 1 35 LYS O 1 50 PHE H 2.300 . 2.500 2.095 2.095 2.095 . 0 0 "[ ]" 2
17 1 35 LYS N 1 50 PHE O 3.300 2.500 3.500 2.775 2.775 2.775 . 0 0 "[ ]" 2
18 1 35 LYS H 1 50 PHE O 2.300 . 2.500 2.102 2.102 2.102 . 0 0 "[ ]" 2
19 1 33 SER O 1 52 ASN N 3.300 2.500 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 2
20 1 33 SER O 1 52 ASN H 2.300 . 2.500 2.512 2.512 2.512 0.012 1 0 "[ ]" 2
21 1 11 TYR N 1 47 GLY O 3.300 2.500 3.500 3.025 3.025 3.025 . 0 0 "[ ]" 2
22 1 11 TYR H 1 47 GLY O 2.300 . 2.500 2.470 2.470 2.470 . 0 0 "[ ]" 2
23 1 69 LEU N 1 76 ILE O 3.300 2.500 3.500 2.882 2.882 2.882 . 0 0 "[ ]" 2
24 1 69 LEU H 1 76 ILE O 2.300 . 2.500 2.156 2.156 2.156 . 0 0 "[ ]" 2
25 1 17 THR O 1 21 PHE N 3.300 2.500 3.500 2.784 2.784 2.784 . 0 0 "[ ]" 2
26 1 17 THR O 1 21 PHE H 2.300 . 2.500 2.100 2.100 2.100 . 0 0 "[ ]" 2
27 1 18 GLN O 1 22 LYS N 3.300 2.500 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 2
28 1 18 GLN O 1 22 LYS H 2.300 . 2.500 2.506 2.506 2.506 0.006 1 0 "[ ]" 2
29 1 19 ASP O 1 23 SER N 3.300 2.500 3.500 3.309 3.309 3.309 . 0 0 "[ ]" 2
30 1 19 ASP O 1 23 SER H 2.300 . 2.500 2.334 2.334 2.334 . 0 0 "[ ]" 2
31 1 20 GLU O 1 24 LEU N 3.300 2.500 3.500 3.380 3.380 3.380 . 0 0 "[ ]" 2
32 1 20 GLU O 1 24 LEU H 2.300 . 2.500 2.511 2.511 2.511 0.011 1 0 "[ ]" 2
33 1 21 PHE O 1 25 PHE N 3.300 2.500 3.500 3.385 3.385 3.385 . 0 0 "[ ]" 2
34 1 21 PHE O 1 25 PHE H 2.300 . 2.500 2.432 2.432 2.432 . 0 0 "[ ]" 2
35 1 22 LYS O 1 26 GLY N 3.300 2.500 3.500 2.558 2.558 2.558 . 0 0 "[ ]" 2
36 1 22 LYS O 1 26 GLY H 2.300 . 2.500 2.195 2.195 2.195 . 0 0 "[ ]" 2
37 1 13 PRO O 1 16 MET N 3.300 2.500 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 2
38 1 13 PRO O 1 16 MET H 2.300 . 2.500 2.510 2.510 2.510 0.010 1 0 "[ ]" 2
39 1 56 PRO O 1 60 ASP N 3.300 2.500 3.500 3.037 3.037 3.037 . 0 0 "[ ]" 2
40 1 56 PRO O 1 60 ASP H 2.300 . 2.500 2.118 2.118 2.118 . 0 0 "[ ]" 2
41 1 55 ASP O 1 59 ALA N 3.300 2.500 3.500 3.299 3.299 3.299 . 0 0 "[ ]" 2
42 1 55 ASP O 1 59 ALA H 2.300 . 2.500 2.519 2.519 2.519 0.019 1 0 "[ ]" 2
43 1 57 ASN O 1 61 LYS N 3.300 2.500 3.500 3.232 3.232 3.232 . 0 0 "[ ]" 2
44 1 57 ASN O 1 61 LYS H 2.300 . 2.500 2.483 2.483 2.483 . 0 0 "[ ]" 2
45 1 58 ASP O 1 62 ALA N 3.300 2.500 3.500 3.257 3.257 3.257 . 0 0 "[ ]" 2
46 1 58 ASP O 1 62 ALA H 2.300 . 2.500 2.365 2.365 2.365 . 0 0 "[ ]" 2
47 1 59 ALA O 1 63 ILE N 3.300 2.500 3.500 3.281 3.281 3.281 . 0 0 "[ ]" 2
48 1 59 ALA O 1 63 ILE H 2.300 . 2.500 2.523 2.523 2.523 0.023 1 0 "[ ]" 2
49 1 62 ALA O 1 66 LEU N 3.300 2.500 3.500 3.045 3.045 3.045 . 0 0 "[ ]" 2
50 1 62 ALA O 1 66 LEU H 2.300 . 2.500 2.216 2.216 2.216 . 0 0 "[ ]" 2
51 1 69 LEU O 1 76 ILE N 3.300 2.500 3.500 2.915 2.915 2.915 . 0 0 "[ ]" 2
52 1 69 LEU O 1 76 ILE H 2.300 . 2.500 2.108 2.108 2.108 . 0 0 "[ ]" 2
53 1 66 LEU O 1 78 VAL N 3.300 2.500 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 2
54 1 66 LEU O 1 78 VAL H 2.300 . 2.500 2.537 2.537 2.537 0.037 1 0 "[ ]" 2
55 1 71 LEU N 1 74 LYS O 3.300 2.500 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 2
56 1 71 LEU H 1 74 LYS O 2.300 . 2.500 2.097 2.097 2.097 . 0 0 "[ ]" 2
57 1 16 MET N 1 20 GLU OE1 3.300 2.500 3.500 4.144 4.144 4.144 0.644 1 1 [+] 2
58 1 16 MET H 1 20 GLU OE1 2.300 . 2.500 4.370 4.370 4.370 1.870 1 1 [+] 2
stop_
save_
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