NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391855 |
1pjw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pjw
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 552
_Distance_constraint_stats_list.Viol_count 866
_Distance_constraint_stats_list.Viol_total 725.104
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0248
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0558
_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 5 LEU 0.106 0.045 14 0 "[ . 1 .]"
1 6 LYS 0.106 0.045 14 0 "[ . 1 .]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 8 THR 0.000 0.000 . 0 "[ . 1 .]"
1 9 THR 0.000 0.000 . 0 "[ . 1 .]"
1 10 TYR 0.056 0.049 15 0 "[ . 1 .]"
1 11 GLY 0.121 0.038 12 0 "[ . 1 .]"
1 12 MET 0.912 0.128 5 0 "[ . 1 .]"
1 13 CYS 0.144 0.055 11 0 "[ . 1 .]"
1 14 THR 0.460 0.100 14 0 "[ . 1 .]"
1 15 GLU 0.237 0.064 4 0 "[ . 1 .]"
1 16 LYS 0.022 0.017 9 0 "[ . 1 .]"
1 17 PHE 0.688 0.071 14 0 "[ . 1 .]"
1 18 SER 0.470 0.071 14 0 "[ . 1 .]"
1 19 PHE 1.224 0.202 5 0 "[ . 1 .]"
1 20 ALA 0.027 0.012 10 0 "[ . 1 .]"
1 21 LYS 1.184 0.057 10 0 "[ . 1 .]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 23 PRO 0.089 0.031 10 0 "[ . 1 .]"
1 24 ALA 0.155 0.031 12 0 "[ . 1 .]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 26 THR 0.020 0.013 8 0 "[ . 1 .]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 30 THR 0.004 0.004 14 0 "[ . 1 .]"
1 31 VAL 2.663 0.172 9 0 "[ . 1 .]"
1 32 VAL 1.224 0.118 1 0 "[ . 1 .]"
1 33 ILE 0.836 0.057 10 0 "[ . 1 .]"
1 34 GLU 0.151 0.031 10 0 "[ . 1 .]"
1 35 LEU 0.032 0.014 7 0 "[ . 1 .]"
1 36 SER 4.328 0.177 5 0 "[ . 1 .]"
1 37 TYR 2.774 0.177 5 0 "[ . 1 .]"
1 38 SER 3.673 0.151 11 0 "[ . 1 .]"
1 39 GLY 1.024 0.095 12 0 "[ . 1 .]"
1 40 SER 0.000 0.000 . 0 "[ . 1 .]"
1 41 ASP 0.180 0.029 9 0 "[ . 1 .]"
1 42 GLY 0.158 0.029 9 0 "[ . 1 .]"
1 43 PRO 0.463 0.044 8 0 "[ . 1 .]"
1 44 CYS 0.185 0.055 11 0 "[ . 1 .]"
1 45 LYS 0.587 0.100 14 0 "[ . 1 .]"
1 46 ILE 0.480 0.065 13 0 "[ . 1 .]"
1 47 PRO 0.265 0.064 4 0 "[ . 1 .]"
1 48 ILE 0.024 0.013 12 0 "[ . 1 .]"
1 49 VAL 0.048 0.014 6 0 "[ . 1 .]"
1 50 SER 0.678 0.067 3 0 "[ . 1 .]"
1 51 VAL 0.078 0.036 13 0 "[ . 1 .]"
1 52 ALA 1.347 0.140 9 0 "[ . 1 .]"
1 53 SER 0.000 0.000 . 0 "[ . 1 .]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 55 ASN 0.581 0.064 13 0 "[ . 1 .]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 57 MET 0.497 0.080 4 0 "[ . 1 .]"
1 58 THR 0.379 0.080 4 0 "[ . 1 .]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 60 VAL 2.609 0.151 5 0 "[ . 1 .]"
1 61 GLY 2.542 0.151 5 0 "[ . 1 .]"
1 62 ARG 0.988 0.080 7 0 "[ . 1 .]"
1 63 LEU 0.011 0.011 10 0 "[ . 1 .]"
1 64 VAL 0.037 0.015 15 0 "[ . 1 .]"
1 65 THR 0.021 0.011 10 0 "[ . 1 .]"
1 66 VAL 0.863 0.103 15 0 "[ . 1 .]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 68 PRO 0.039 0.021 12 0 "[ . 1 .]"
1 69 PHE 1.903 0.326 4 0 "[ . 1 .]"
1 70 VAL 0.369 0.116 4 0 "[ . 1 .]"
1 71 ALA 0.086 0.031 7 0 "[ . 1 .]"
1 72 THR 0.463 0.044 8 0 "[ . 1 .]"
1 73 SER 0.000 0.000 . 0 "[ . 1 .]"
1 74 SER 0.171 0.031 9 0 "[ . 1 .]"
1 75 ALA 0.009 0.009 3 0 "[ . 1 .]"
1 76 ASN 3.234 0.131 7 0 "[ . 1 .]"
1 77 SER 3.796 0.184 3 0 "[ . 1 .]"
1 78 LYS 0.001 0.001 7 0 "[ . 1 .]"
1 79 VAL 3.870 0.184 3 0 "[ . 1 .]"
1 80 LEU 0.194 0.029 10 0 "[ . 1 .]"
1 81 VAL 0.082 0.039 5 0 "[ . 1 .]"
1 82 GLU 0.167 0.032 1 0 "[ . 1 .]"
1 83 MET 0.528 0.060 13 0 "[ . 1 .]"
1 84 GLU 5.438 0.169 2 0 "[ . 1 .]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 86 PRO 0.147 0.025 12 0 "[ . 1 .]"
1 87 PHE 3.596 0.230 7 0 "[ . 1 .]"
1 88 GLY 0.126 0.030 12 0 "[ . 1 .]"
1 89 ASP 0.126 0.030 12 0 "[ . 1 .]"
1 90 SER 0.012 0.010 8 0 "[ . 1 .]"
1 91 TYR 0.731 0.104 10 0 "[ . 1 .]"
1 92 ILE 1.271 0.133 13 0 "[ . 1 .]"
1 93 VAL 0.151 0.023 15 0 "[ . 1 .]"
1 94 VAL 0.036 0.009 13 0 "[ . 1 .]"
1 95 GLY 0.206 0.030 12 0 "[ . 1 .]"
1 96 MET 0.000 0.000 . 0 "[ . 1 .]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 99 LYS 1.808 0.177 8 0 "[ . 1 .]"
1 100 GLN 1.341 0.120 6 0 "[ . 1 .]"
1 101 ILE 0.938 0.120 6 0 "[ . 1 .]"
1 102 ASN 0.074 0.014 13 0 "[ . 1 .]"
1 103 HIS 0.086 0.018 8 0 "[ . 1 .]"
1 104 HIS 0.305 0.034 12 0 "[ . 1 .]"
1 105 TRP 1.331 0.178 3 0 "[ . 1 .]"
1 106 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 107 LYS 0.124 0.046 1 0 "[ . 1 .]"
1 108 ALA 0.124 0.046 1 0 "[ . 1 .]"
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 16 LYS HA 1 17 PHE H 2.800 . 2.800 2.628 2.423 2.662 . 0 0 "[ . 1 .]" 1
2 1 63 LEU HA 1 64 VAL H 2.800 . 2.800 2.230 2.214 2.267 . 0 0 "[ . 1 .]" 1
3 1 77 SER HA 1 78 LYS H 2.800 . 2.800 2.691 2.675 2.702 . 0 0 "[ . 1 .]" 1
4 1 61 GLY HA2 1 62 ARG H 2.800 . 2.800 2.374 2.239 2.527 . 0 0 "[ . 1 .]" 1
5 1 68 PRO HA 1 69 PHE H 2.800 . 2.800 2.479 2.222 2.623 . 0 0 "[ . 1 .]" 1
6 1 37 TYR HA 1 38 SER H 2.800 . 2.800 2.276 2.242 2.300 . 0 0 "[ . 1 .]" 1
7 1 25 ASP HA 1 26 THR H 2.800 . 2.800 2.264 2.212 2.383 . 0 0 "[ . 1 .]" 1
8 1 47 PRO HA 1 48 ILE H 2.800 . 2.800 2.365 2.268 2.581 . 0 0 "[ . 1 .]" 1
9 1 93 VAL HA 1 94 VAL H 2.800 . 2.800 2.215 2.203 2.242 . 0 0 "[ . 1 .]" 1
10 1 81 VAL HA 1 82 GLU H 2.800 . 2.800 2.528 2.459 2.597 . 0 0 "[ . 1 .]" 1
11 1 19 PHE HA 1 20 ALA H 2.800 . 2.800 2.231 2.197 2.296 . 0 0 "[ . 1 .]" 1
12 1 70 VAL HA 1 71 ALA H 2.800 . 2.800 2.639 2.612 2.648 . 0 0 "[ . 1 .]" 1
13 1 23 PRO HA 1 24 ALA H 2.800 . 2.800 2.238 2.220 2.273 . 0 0 "[ . 1 .]" 1
14 1 10 TYR HA 1 11 GLY H 2.800 . 2.800 2.470 2.252 2.589 . 0 0 "[ . 1 .]" 1
15 1 62 ARG HA 1 63 LEU H 2.800 . 2.800 2.349 2.280 2.364 . 0 0 "[ . 1 .]" 1
16 1 31 VAL HA 1 32 VAL H 2.800 . 2.800 2.273 2.220 2.323 . 0 0 "[ . 1 .]" 1
17 1 92 ILE HA 1 93 VAL H 2.800 . 2.800 2.244 2.229 2.270 . 0 0 "[ . 1 .]" 1
18 1 101 ILE HA 1 102 ASN H 2.800 . 2.800 2.255 2.213 2.355 . 0 0 "[ . 1 .]" 1
19 1 80 LEU HA 1 81 VAL H 2.800 . 2.800 2.217 2.200 2.273 . 0 0 "[ . 1 .]" 1
20 1 65 THR HA 1 66 VAL H 2.800 . 2.800 2.491 2.286 2.556 . 0 0 "[ . 1 .]" 1
21 1 32 VAL HA 1 33 ILE H 2.800 . 2.800 2.252 2.208 2.311 . 0 0 "[ . 1 .]" 1
22 1 48 ILE HA 1 49 VAL H 2.800 . 2.800 2.291 2.210 2.346 . 0 0 "[ . 1 .]" 1
23 1 36 SER HA 1 37 TYR H 2.800 . 2.800 2.235 2.223 2.251 . 0 0 "[ . 1 .]" 1
24 1 59 PRO HA 1 60 VAL H 2.800 . 2.800 2.229 2.213 2.249 . 0 0 "[ . 1 .]" 1
25 1 51 VAL HA 1 52 ALA H 2.800 . 2.800 2.372 2.303 2.412 . 0 0 "[ . 1 .]" 1
26 1 91 TYR HA 1 92 ILE H 2.800 . 2.800 2.237 2.213 2.290 . 0 0 "[ . 1 .]" 1
27 1 45 LYS HA 1 46 ILE H 2.800 . 2.800 2.234 2.215 2.260 . 0 0 "[ . 1 .]" 1
28 1 34 GLU HA 1 35 LEU H 2.800 . 2.800 2.244 2.201 2.334 . 0 0 "[ . 1 .]" 1
29 1 82 GLU HA 1 83 MET H 2.800 . 2.800 2.299 2.247 2.391 . 0 0 "[ . 1 .]" 1
30 1 24 ALA HA 1 25 ASP H 2.800 . 2.800 2.339 2.215 2.468 . 0 0 "[ . 1 .]" 1
31 1 44 CYS HA 1 45 LYS H 2.800 . 2.800 2.416 2.376 2.443 . 0 0 "[ . 1 .]" 1
32 1 79 VAL HA 1 80 LEU H 2.800 . 2.800 2.581 2.540 2.607 . 0 0 "[ . 1 .]" 1
33 1 94 VAL HA 1 95 GLY H 2.800 . 2.800 2.287 2.250 2.363 . 0 0 "[ . 1 .]" 1
34 1 50 SER HA 1 51 VAL H 2.800 . 2.800 2.255 2.228 2.275 . 0 0 "[ . 1 .]" 1
35 1 17 PHE HA 1 18 SER H 2.800 . 2.800 2.276 2.241 2.312 . 0 0 "[ . 1 .]" 1
36 1 100 GLN HA 1 101 ILE H 2.800 . 2.800 2.301 2.226 2.343 . 0 0 "[ . 1 .]" 1
37 1 69 PHE HA 1 70 VAL H 2.800 . 2.800 2.240 2.213 2.375 . 0 0 "[ . 1 .]" 1
38 1 64 VAL H 1 65 THR H 3.400 . 3.400 2.632 2.288 3.095 . 0 0 "[ . 1 .]" 1
39 1 49 VAL HA 1 50 SER H 2.800 . 2.800 2.282 2.224 2.426 . 0 0 "[ . 1 .]" 1
40 1 18 SER HA 1 19 PHE H 2.800 . 2.800 2.273 2.210 2.311 . 0 0 "[ . 1 .]" 1
41 1 86 PRO HA 1 87 PHE H 2.800 . 2.800 2.343 2.245 2.422 . 0 0 "[ . 1 .]" 1
42 1 20 ALA H 1 21 LYS H 2.800 . 2.800 2.192 2.041 2.402 . 0 0 "[ . 1 .]" 1
43 1 33 ILE HA 1 34 GLU H 2.800 . 2.800 2.312 2.228 2.463 . 0 0 "[ . 1 .]" 1
44 1 31 VAL H 1 83 MET H 2.800 . 2.800 2.800 2.680 2.860 0.060 13 0 "[ . 1 .]" 1
45 1 63 LEU H 1 63 LEU HB2 2.800 . 2.800 2.269 2.078 2.510 . 0 0 "[ . 1 .]" 1
46 1 21 LYS H 1 21 LYS HG3 2.800 . 2.800 2.790 2.740 2.835 0.035 12 0 "[ . 1 .]" 1
47 1 21 LYS H 1 21 LYS HG2 3.400 . 3.400 3.343 3.063 3.415 0.015 13 0 "[ . 1 .]" 1
48 1 76 ASN H 1 76 ASN HA 2.800 . 2.800 2.925 2.916 2.931 0.131 7 0 "[ . 1 .]" 1
49 1 36 SER H 1 36 SER HA 2.800 . 2.800 2.930 2.905 2.946 0.146 2 0 "[ . 1 .]" 1
50 1 84 GLU H 1 84 GLU HA 2.800 . 2.800 2.964 2.953 2.969 0.169 2 0 "[ . 1 .]" 1
51 1 99 LYS H 1 99 LYS HA 2.800 . 2.800 2.921 2.906 2.977 0.177 8 0 "[ . 1 .]" 1
52 1 38 SER H 1 38 SER HA 2.800 . 2.800 2.946 2.930 2.951 0.151 11 0 "[ . 1 .]" 1
53 1 105 TRP H 1 105 TRP HA 2.800 . 2.800 2.887 2.776 2.978 0.178 3 0 "[ . 1 .]" 1
54 1 31 VAL H 1 31 VAL HA 2.800 . 2.800 2.963 2.928 2.972 0.172 9 0 "[ . 1 .]" 1
55 1 25 ASP H 1 25 ASP HB3 2.800 . 2.800 2.564 2.192 2.755 . 0 0 "[ . 1 .]" 1
56 1 107 LYS HA 1 108 ALA H 3.400 . 3.400 3.404 3.378 3.446 0.046 1 0 "[ . 1 .]" 1
57 1 53 SER HA 1 54 LEU H 3.400 . 3.400 2.225 2.198 2.278 . 0 0 "[ . 1 .]" 1
58 1 60 VAL H 1 61 GLY H 3.400 . 3.400 1.903 1.784 2.269 0.016 15 0 "[ . 1 .]" 1
59 1 89 ASP HA 1 90 SER H 3.400 . 3.400 2.289 2.213 2.436 . 0 0 "[ . 1 .]" 1
60 1 66 VAL HA 1 67 ASN H 3.400 . 3.400 2.603 2.400 2.721 . 0 0 "[ . 1 .]" 1
61 1 99 LYS HA 1 100 GLN H 3.400 . 3.400 2.248 2.213 2.358 . 0 0 "[ . 1 .]" 1
62 1 40 SER HA 1 41 ASP H 3.400 . 3.400 3.122 3.003 3.271 . 0 0 "[ . 1 .]" 1
63 1 43 PRO HA 1 44 CYS H 3.400 . 3.400 2.291 2.221 2.342 . 0 0 "[ . 1 .]" 1
64 1 64 VAL H 1 83 MET HA 3.400 . 3.400 1.886 1.785 2.168 0.015 15 0 "[ . 1 .]" 1
65 1 76 ASN HA 1 77 SER H 3.400 . 3.400 3.118 3.063 3.165 . 0 0 "[ . 1 .]" 1
66 1 87 PHE HA 1 88 GLY H 3.400 . 3.400 2.244 2.208 2.290 . 0 0 "[ . 1 .]" 1
67 1 102 ASN HA 1 103 HIS H 3.400 . 3.400 2.227 2.201 2.301 . 0 0 "[ . 1 .]" 1
68 1 102 ASN HB2 1 103 HIS H 3.400 . 3.400 3.314 2.903 3.414 0.014 13 0 "[ . 1 .]" 1
69 1 88 GLY HA3 1 89 ASP H 3.400 . 3.400 2.619 2.189 2.938 . 0 0 "[ . 1 .]" 1
70 1 90 SER HA 1 91 TYR H 3.400 . 3.400 2.273 2.230 2.342 . 0 0 "[ . 1 .]" 1
71 1 21 LYS H 1 34 GLU HB3 3.400 . 3.400 3.377 3.273 3.415 0.015 1 0 "[ . 1 .]" 1
72 1 74 SER HA 1 75 ALA H 3.400 . 3.400 3.171 3.089 3.252 . 0 0 "[ . 1 .]" 1
73 1 57 MET HA 1 58 THR H 3.400 . 3.400 3.338 2.935 3.480 0.080 4 0 "[ . 1 .]" 1
74 1 46 ILE H 1 69 PHE HA 3.400 . 3.400 1.983 1.777 2.387 0.023 13 0 "[ . 1 .]" 1
75 1 11 GLY HA2 1 12 MET H 3.400 . 3.400 2.253 2.189 2.485 . 0 0 "[ . 1 .]" 1
76 1 71 ALA HA 1 72 THR H 3.400 . 3.400 2.634 2.417 2.681 . 0 0 "[ . 1 .]" 1
77 1 11 GLY HA3 1 12 MET H 3.400 . 3.400 3.203 2.739 3.438 0.038 12 0 "[ . 1 .]" 1
78 1 75 ALA HA 1 76 ASN H 3.400 . 3.400 3.270 3.211 3.409 0.009 3 0 "[ . 1 .]" 1
79 1 88 GLY HA2 1 89 ASP H 3.400 . 3.400 2.638 2.336 3.238 . 0 0 "[ . 1 .]" 1
80 1 17 PHE HB3 1 18 SER H 3.400 . 3.400 3.395 3.243 3.471 0.071 14 0 "[ . 1 .]" 1
81 1 32 VAL HB 1 33 ILE H 5.000 . 5.000 3.410 3.055 4.080 . 0 0 "[ . 1 .]" 1
82 1 57 MET H 1 58 THR H 3.400 . 3.400 2.092 1.848 2.662 . 0 0 "[ . 1 .]" 1
83 1 62 ARG HB2 1 84 GLU H 3.400 . 3.400 3.233 2.613 3.416 0.016 15 0 "[ . 1 .]" 1
84 1 95 GLY HA3 1 96 MET H 3.400 . 3.400 2.809 2.600 3.079 . 0 0 "[ . 1 .]" 1
85 1 78 LYS HA 1 79 VAL H 3.400 . 3.400 2.354 2.342 2.362 . 0 0 "[ . 1 .]" 1
86 1 60 VAL HA 1 61 GLY H 3.400 . 3.400 3.506 3.224 3.551 0.151 5 0 "[ . 1 .]" 1
87 1 31 VAL H 1 84 GLU HA 3.400 . 3.400 3.185 2.927 3.334 . 0 0 "[ . 1 .]" 1
88 1 18 SER HB3 1 36 SER H 3.400 . 3.400 2.538 1.937 3.313 . 0 0 "[ . 1 .]" 1
89 1 86 PRO HB2 1 87 PHE H 3.400 . 3.400 3.037 2.794 3.412 0.012 5 0 "[ . 1 .]" 1
90 1 26 THR H 1 30 THR HG1 3.400 . 3.400 2.527 1.868 3.169 . 0 0 "[ . 1 .]" 1
91 1 26 THR H 1 26 THR HG1 3.400 . 3.400 2.203 1.862 2.873 . 0 0 "[ . 1 .]" 1
92 1 80 LEU H 1 80 LEU HB2 3.400 . 3.400 2.719 2.503 3.190 . 0 0 "[ . 1 .]" 1
93 1 100 GLN H 1 100 GLN HE21 3.400 . 3.400 2.687 1.943 3.425 0.025 12 0 "[ . 1 .]" 1
94 1 100 GLN H 1 100 GLN HE22 3.400 . 3.400 3.341 2.405 3.439 0.039 15 0 "[ . 1 .]" 1
95 1 81 VAL H 1 81 VAL QG 3.400 . 3.400 2.107 1.846 2.344 . 0 0 "[ . 1 .]" 1
96 1 46 ILE H 1 46 ILE HG12 3.400 . 3.400 2.953 1.775 3.417 0.025 15 0 "[ . 1 .]" 1
97 1 12 MET H 1 12 MET HB3 3.400 . 3.400 3.167 2.507 3.528 0.128 5 0 "[ . 1 .]" 1
98 1 80 LEU H 1 80 LEU HB3 3.400 . 3.400 2.932 2.575 3.154 . 0 0 "[ . 1 .]" 1
99 1 66 VAL H 1 66 VAL MG2 3.400 . 3.400 1.936 1.830 2.405 . 0 0 "[ . 1 .]" 1
100 1 79 VAL H 1 79 VAL QG 3.400 . 3.400 1.853 1.794 1.903 0.006 8 0 "[ . 1 .]" 1
101 1 12 MET H 1 12 MET HG3 3.400 . 3.400 2.575 1.800 3.414 0.014 4 0 "[ . 1 .]" 1
102 1 62 ARG H 1 62 ARG HG3 3.400 . 3.400 3.055 2.690 3.392 . 0 0 "[ . 1 .]" 1
103 1 32 VAL H 1 32 VAL QG 3.400 . 3.400 1.875 1.731 2.194 0.069 12 0 "[ . 1 .]" 1
104 1 35 LEU H 1 35 LEU HG 3.400 . 3.400 2.958 2.671 3.256 . 0 0 "[ . 1 .]" 1
105 1 19 PHE H 1 19 PHE HB2 3.400 . 3.400 3.041 2.648 3.507 0.107 5 0 "[ . 1 .]" 1
106 1 70 VAL H 1 70 VAL QG 3.400 . 3.400 2.142 1.688 2.495 0.112 12 0 "[ . 1 .]" 1
107 1 45 LYS H 1 45 LYS HE2 3.400 . 3.400 3.270 2.417 3.421 0.021 11 0 "[ . 1 .]" 1
108 1 84 GLU H 1 84 GLU HB3 3.400 . 3.400 3.179 2.892 3.483 0.083 13 0 "[ . 1 .]" 1
109 1 84 GLU H 1 84 GLU HB2 3.400 . 3.400 3.431 2.194 3.545 0.145 6 0 "[ . 1 .]" 1
110 1 57 MET H 1 57 MET HB2 3.400 . 3.400 2.541 2.207 2.929 . 0 0 "[ . 1 .]" 1
111 1 50 SER H 1 50 SER HB2 3.400 . 3.400 2.482 2.037 3.201 . 0 0 "[ . 1 .]" 1
112 1 87 PHE H 1 87 PHE HB3 3.400 . 3.400 3.274 2.903 3.455 0.055 1 0 "[ . 1 .]" 1
113 1 62 ARG H 1 62 ARG HG2 3.400 . 3.400 3.179 2.697 3.411 0.011 5 0 "[ . 1 .]" 1
114 1 69 PHE H 1 69 PHE HB2 3.400 . 3.400 3.224 2.504 3.726 0.326 4 0 "[ . 1 .]" 1
115 1 45 LYS H 1 45 LYS HG3 3.400 . 3.400 3.360 3.236 3.407 0.007 7 0 "[ . 1 .]" 1
116 1 45 LYS H 1 45 LYS HG2 3.400 . 3.400 1.810 1.786 1.925 0.014 15 0 "[ . 1 .]" 1
117 1 84 GLU H 1 84 GLU QG 3.400 . 3.400 1.857 1.739 3.133 0.061 9 0 "[ . 1 .]" 1
118 1 83 MET H 1 83 MET HB3 3.400 . 3.400 3.412 3.357 3.447 0.047 11 0 "[ . 1 .]" 1
119 1 34 GLU H 1 34 GLU HB3 3.400 . 3.400 2.835 2.492 3.083 . 0 0 "[ . 1 .]" 1
120 1 34 GLU H 1 34 GLU HB2 3.400 . 3.400 2.628 2.335 2.985 . 0 0 "[ . 1 .]" 1
121 1 36 SER H 1 36 SER HB2 3.400 . 3.400 2.974 2.548 3.372 . 0 0 "[ . 1 .]" 1
122 1 37 TYR H 1 37 TYR HB3 3.400 . 3.400 2.183 2.139 2.241 . 0 0 "[ . 1 .]" 1
123 1 37 TYR H 1 37 TYR HB2 3.400 . 3.400 2.975 2.900 3.057 . 0 0 "[ . 1 .]" 1
124 1 21 LYS H 1 21 LYS HB2 3.400 . 3.400 2.865 2.788 2.916 . 0 0 "[ . 1 .]" 1
125 1 87 PHE H 1 87 PHE QE 3.400 . 3.400 3.606 3.575 3.630 0.230 7 0 "[ . 1 .]" 1
126 1 24 ALA H 1 24 ALA MB 3.400 . 3.400 2.382 2.120 2.503 . 0 0 "[ . 1 .]" 1
127 1 45 LYS H 1 45 LYS QB 3.400 . 3.400 2.551 2.461 2.638 . 0 0 "[ . 1 .]" 1
128 1 52 ALA H 1 52 ALA MB 3.400 . 3.400 2.045 1.909 2.129 . 0 0 "[ . 1 .]" 1
129 1 104 HIS H 1 104 HIS QB 3.400 . 3.400 2.764 1.995 3.052 . 0 0 "[ . 1 .]" 1
130 1 40 SER H 1 40 SER QB 3.400 . 3.400 2.314 2.000 2.802 . 0 0 "[ . 1 .]" 1
131 1 17 PHE H 1 17 PHE QB 3.400 . 3.400 2.125 2.008 2.716 . 0 0 "[ . 1 .]" 1
132 1 89 ASP H 1 89 ASP QB 3.400 . 3.400 2.398 2.067 2.705 . 0 0 "[ . 1 .]" 1
133 1 13 CYS H 1 13 CYS QB 3.400 . 3.400 2.947 2.292 3.149 . 0 0 "[ . 1 .]" 1
134 1 41 ASP H 1 41 ASP QB 3.400 . 3.400 2.293 2.048 2.874 . 0 0 "[ . 1 .]" 1
135 1 66 VAL H 1 66 VAL HB 3.400 . 3.400 3.145 2.544 3.503 0.103 15 0 "[ . 1 .]" 1
136 1 93 VAL H 1 93 VAL HB 3.400 . 3.400 2.589 2.463 2.668 . 0 0 "[ . 1 .]" 1
137 1 33 ILE H 1 33 ILE HB 3.400 . 3.400 3.098 2.883 3.347 . 0 0 "[ . 1 .]" 1
138 1 70 VAL H 1 70 VAL HB 3.400 . 3.400 2.628 2.217 3.516 0.116 4 0 "[ . 1 .]" 1
139 1 81 VAL H 1 81 VAL HB 3.400 . 3.400 2.839 2.646 3.149 . 0 0 "[ . 1 .]" 1
140 1 31 VAL H 1 31 VAL HB 3.400 . 3.400 2.477 2.342 2.536 . 0 0 "[ . 1 .]" 1
141 1 32 VAL H 1 32 VAL HB 3.400 . 3.400 3.295 2.717 3.518 0.118 1 0 "[ . 1 .]" 1
142 1 92 ILE H 1 92 ILE HB 3.400 . 3.400 2.585 2.257 3.533 0.133 13 0 "[ . 1 .]" 1
143 1 79 VAL H 1 79 VAL HB 3.400 . 3.400 3.506 3.501 3.513 0.113 7 0 "[ . 1 .]" 1
144 1 84 GLU H 1 85 PRO HD2 5.000 . 5.000 4.043 3.700 4.411 . 0 0 "[ . 1 .]" 1
145 1 7 GLY HA3 1 8 THR H 5.000 . 5.000 3.282 2.678 3.586 . 0 0 "[ . 1 .]" 1
146 1 49 VAL HB 1 93 VAL H 5.000 . 5.000 4.614 4.148 4.974 . 0 0 "[ . 1 .]" 1
147 1 13 CYS H 1 14 THR H 5.000 . 5.000 3.965 3.908 4.459 . 0 0 "[ . 1 .]" 1
148 1 87 PHE H 1 88 GLY H 5.000 . 5.000 4.622 4.368 4.689 . 0 0 "[ . 1 .]" 1
149 1 64 VAL H 1 82 GLU H 5.000 . 5.000 4.434 4.050 4.809 . 0 0 "[ . 1 .]" 1
150 1 64 VAL H 1 83 MET HB3 5.000 . 5.000 4.171 3.582 5.004 0.004 13 0 "[ . 1 .]" 1
151 1 83 MET H 1 84 GLU H 5.000 . 5.000 4.333 4.226 4.443 . 0 0 "[ . 1 .]" 1
152 1 20 ALA H 1 35 LEU HG 5.000 . 5.000 3.069 2.861 3.231 . 0 0 "[ . 1 .]" 1
153 1 20 ALA H 1 21 LYS HB2 5.000 . 5.000 4.811 4.513 5.012 0.012 10 0 "[ . 1 .]" 1
154 1 103 HIS H 1 104 HIS HA 5.000 . 5.000 4.876 4.796 4.962 . 0 0 "[ . 1 .]" 1
155 1 92 ILE H 1 104 HIS H 5.000 . 5.000 5.006 4.859 5.034 0.034 12 0 "[ . 1 .]" 1
156 1 26 THR H 1 29 GLY H 6.000 . 6.000 5.275 4.611 5.973 . 0 0 "[ . 1 .]" 1
157 1 12 MET H 1 13 CYS H 5.000 . 5.000 4.333 4.058 4.518 . 0 0 "[ . 1 .]" 1
158 1 51 VAL H 1 90 SER HB2 5.000 . 5.000 4.392 3.759 5.010 0.010 8 0 "[ . 1 .]" 1
159 1 53 SER H 1 54 LEU H 5.000 . 5.000 4.462 4.299 4.556 . 0 0 "[ . 1 .]" 1
160 1 50 SER HB3 1 61 GLY H 5.000 . 5.000 4.128 3.619 4.948 . 0 0 "[ . 1 .]" 1
161 1 52 ALA HA 1 91 TYR H 5.000 . 5.000 3.234 3.064 3.530 . 0 0 "[ . 1 .]" 1
162 1 91 TYR H 1 92 ILE HA 5.000 . 5.000 5.049 5.002 5.104 0.104 10 0 "[ . 1 .]" 1
163 1 66 VAL H 1 67 ASN H 5.000 . 5.000 4.636 4.566 4.715 . 0 0 "[ . 1 .]" 1
164 1 65 THR H 1 82 GLU H 5.000 . 5.000 4.088 2.809 4.773 . 0 0 "[ . 1 .]" 1
165 1 62 ARG H 1 86 PRO HD2 5.000 . 5.000 4.863 4.094 5.025 0.025 12 0 "[ . 1 .]" 1
166 1 24 ALA H 1 33 ILE H 5.000 . 5.000 5.000 4.933 5.031 0.031 12 0 "[ . 1 .]" 1
167 1 41 ASP H 1 42 GLY HA3 5.000 . 5.000 4.983 4.856 5.029 0.029 9 0 "[ . 1 .]" 1
168 1 6 LYS HG3 1 8 THR H 5.000 . 5.000 4.174 2.717 4.993 . 0 0 "[ . 1 .]" 1
169 1 19 PHE HB2 1 21 LYS H 5.000 . 5.000 4.559 3.805 5.045 0.045 15 0 "[ . 1 .]" 1
170 1 88 GLY H 1 89 ASP HA 5.000 . 5.000 4.967 4.871 5.030 0.030 12 0 "[ . 1 .]" 1
171 1 92 ILE H 1 93 VAL H 5.000 . 5.000 4.504 4.372 4.606 . 0 0 "[ . 1 .]" 1
172 1 65 THR H 1 83 MET HA 5.000 . 5.000 4.337 3.914 4.987 . 0 0 "[ . 1 .]" 1
173 1 51 VAL H 1 93 VAL H 5.000 . 5.000 4.461 3.944 4.826 . 0 0 "[ . 1 .]" 1
174 1 12 MET HA 1 45 LYS H 5.000 . 5.000 2.229 1.848 3.659 . 0 0 "[ . 1 .]" 1
175 1 74 SER H 1 75 ALA H 5.000 . 5.000 2.302 2.154 2.460 . 0 0 "[ . 1 .]" 1
176 1 51 VAL H 1 92 ILE HA 5.000 . 5.000 2.960 2.587 3.292 . 0 0 "[ . 1 .]" 1
177 1 66 VAL HB 1 67 ASN H 5.000 . 5.000 2.699 2.074 3.759 . 0 0 "[ . 1 .]" 1
178 1 20 ALA H 1 35 LEU HA 5.000 . 5.000 2.196 1.850 2.511 . 0 0 "[ . 1 .]" 1
179 1 26 THR HG1 1 30 THR H 5.000 . 5.000 4.709 4.084 4.957 . 0 0 "[ . 1 .]" 1
180 1 78 LYS H 1 79 VAL H 5.000 . 5.000 4.147 4.133 4.174 . 0 0 "[ . 1 .]" 1
181 1 98 ASP HB2 1 99 LYS H 5.000 . 5.000 2.733 1.866 3.668 . 0 0 "[ . 1 .]" 1
182 1 104 HIS HA 1 105 TRP H 5.000 . 5.000 2.335 2.209 2.440 . 0 0 "[ . 1 .]" 1
183 1 49 VAL HB 1 50 SER H 5.000 . 5.000 3.603 2.736 4.528 . 0 0 "[ . 1 .]" 1
184 1 79 VAL HB 1 80 LEU H 5.000 . 5.000 2.475 2.389 2.551 . 0 0 "[ . 1 .]" 1
185 1 52 ALA HA 1 53 SER H 5.000 . 5.000 2.441 2.422 2.478 . 0 0 "[ . 1 .]" 1
186 1 35 LEU HA 1 36 SER H 5.000 . 5.000 2.273 2.248 2.303 . 0 0 "[ . 1 .]" 1
187 1 67 ASN H 1 68 PRO HD2 5.000 . 5.000 4.857 4.748 4.932 . 0 0 "[ . 1 .]" 1
188 1 26 THR H 1 27 GLY H 5.000 . 5.000 2.474 2.005 3.550 . 0 0 "[ . 1 .]" 1
189 1 38 SER H 1 39 GLY H 5.000 . 5.000 3.685 3.656 3.732 . 0 0 "[ . 1 .]" 1
190 1 92 ILE H 1 103 HIS H 5.000 . 5.000 3.183 2.602 3.853 . 0 0 "[ . 1 .]" 1
191 1 18 SER H 1 36 SER H 5.000 . 5.000 2.979 2.938 3.074 . 0 0 "[ . 1 .]" 1
192 1 56 ASP H 1 57 MET H 5.000 . 5.000 2.370 2.063 2.555 . 0 0 "[ . 1 .]" 1
193 1 14 THR HA 1 15 GLU H 5.000 . 5.000 2.913 2.620 3.539 . 0 0 "[ . 1 .]" 1
194 1 51 VAL H 1 91 TYR H 5.000 . 5.000 3.821 3.578 4.084 . 0 0 "[ . 1 .]" 1
195 1 72 THR H 1 73 SER H 5.000 . 5.000 4.452 4.418 4.462 . 0 0 "[ . 1 .]" 1
196 1 39 GLY HA2 1 40 SER H 5.000 . 5.000 2.205 2.186 2.246 . 0 0 "[ . 1 .]" 1
197 1 24 ALA H 1 32 VAL H 5.000 . 5.000 2.412 2.120 2.980 . 0 0 "[ . 1 .]" 1
198 1 73 SER H 1 74 SER H 5.000 . 5.000 2.392 2.236 2.664 . 0 0 "[ . 1 .]" 1
199 1 15 GLU H 1 16 LYS H 5.000 . 5.000 2.741 2.173 3.070 . 0 0 "[ . 1 .]" 1
200 1 8 THR H 1 9 THR H 5.000 . 5.000 4.513 3.919 4.695 . 0 0 "[ . 1 .]" 1
201 1 33 ILE H 1 81 VAL H 5.000 . 5.000 2.957 2.676 3.200 . 0 0 "[ . 1 .]" 1
202 1 62 ARG H 1 84 GLU H 5.000 . 5.000 3.361 3.050 3.733 . 0 0 "[ . 1 .]" 1
203 1 44 CYS H 1 70 VAL H 5.000 . 5.000 3.097 2.658 3.586 . 0 0 "[ . 1 .]" 1
204 1 21 LYS H 1 34 GLU H 5.000 . 5.000 3.204 3.046 3.370 . 0 0 "[ . 1 .]" 1
205 1 56 ASP HB2 1 57 MET H 5.000 . 5.000 3.948 2.921 4.454 . 0 0 "[ . 1 .]" 1
206 1 53 SER H 1 90 SER HA 5.000 . 5.000 2.009 1.835 2.190 . 0 0 "[ . 1 .]" 1
207 1 50 SER HA 1 93 VAL H 5.000 . 5.000 3.946 3.690 4.154 . 0 0 "[ . 1 .]" 1
208 1 86 PRO HB3 1 87 PHE H 5.000 . 5.000 3.745 3.607 3.974 . 0 0 "[ . 1 .]" 1
209 1 100 GLN HB2 1 101 ILE H 5.000 . 5.000 3.309 2.947 4.544 . 0 0 "[ . 1 .]" 1
210 1 94 VAL H 1 101 ILE H 5.000 . 5.000 3.281 2.561 3.953 . 0 0 "[ . 1 .]" 1
211 1 65 THR HB 1 82 GLU H 5.000 . 5.000 4.162 2.782 5.010 0.010 15 0 "[ . 1 .]" 1
212 1 50 SER H 1 60 VAL H 5.000 . 5.000 5.038 5.017 5.067 0.067 3 0 "[ . 1 .]" 1
213 1 13 CYS H 1 44 CYS HB2 5.000 . 5.000 3.623 3.276 4.305 . 0 0 "[ . 1 .]" 1
214 1 51 VAL HA 1 60 VAL H 5.000 . 5.000 2.483 2.168 2.674 . 0 0 "[ . 1 .]" 1
215 1 49 VAL H 1 93 VAL H 5.000 . 5.000 2.936 2.736 3.185 . 0 0 "[ . 1 .]" 1
216 1 61 GLY HA3 1 62 ARG H 5.000 . 5.000 2.944 2.729 3.150 . 0 0 "[ . 1 .]" 1
217 1 91 TYR HB2 1 92 ILE H 5.000 . 5.000 4.601 4.505 4.672 . 0 0 "[ . 1 .]" 1
218 1 52 ALA H 1 55 ASN HB2 5.000 . 5.000 3.512 2.730 5.064 0.064 13 0 "[ . 1 .]" 1
219 1 31 VAL H 1 85 PRO HD2 5.000 . 5.000 3.664 3.417 3.961 . 0 0 "[ . 1 .]" 1
220 1 20 ALA H 1 36 SER H 5.000 . 5.000 3.883 3.422 4.301 . 0 0 "[ . 1 .]" 1
221 1 34 GLU HA 1 81 VAL H 5.000 . 5.000 3.436 2.997 4.178 . 0 0 "[ . 1 .]" 1
222 1 45 LYS HA 1 70 VAL H 5.000 . 5.000 3.456 2.982 4.078 . 0 0 "[ . 1 .]" 1
223 1 92 ILE HB 1 103 HIS H 5.000 . 5.000 4.211 3.076 4.992 . 0 0 "[ . 1 .]" 1
224 1 77 SER H 1 79 VAL H 5.000 . 5.000 4.434 4.384 4.491 . 0 0 "[ . 1 .]" 1
225 1 90 SER H 1 106 HIS HA 5.000 . 5.000 4.109 3.443 4.495 . 0 0 "[ . 1 .]" 1
226 1 76 ASN H 1 77 SER H 5.000 . 5.000 2.747 2.673 2.820 . 0 0 "[ . 1 .]" 1
227 1 49 VAL H 1 94 VAL HA 5.000 . 5.000 3.626 3.384 3.800 . 0 0 "[ . 1 .]" 1
228 1 33 ILE HB 1 34 GLU H 5.000 . 5.000 4.179 3.853 4.455 . 0 0 "[ . 1 .]" 1
229 1 17 PHE HA 1 38 SER H 5.000 . 5.000 3.967 3.769 4.247 . 0 0 "[ . 1 .]" 1
230 1 59 PRO HB3 1 60 VAL H 5.000 . 5.000 4.047 3.973 4.125 . 0 0 "[ . 1 .]" 1
231 1 31 VAL HB 1 83 MET H 5.000 . 5.000 2.653 2.261 2.929 . 0 0 "[ . 1 .]" 1
232 1 77 SER H 1 79 VAL HA 5.000 . 5.000 5.151 5.113 5.184 0.184 3 0 "[ . 1 .]" 1
233 1 56 ASP HA 1 57 MET H 5.000 . 5.000 3.262 3.128 3.559 . 0 0 "[ . 1 .]" 1
234 1 30 THR HG1 1 31 VAL H 5.000 . 5.000 4.630 3.802 5.004 0.004 14 0 "[ . 1 .]" 1
235 1 94 VAL H 1 102 ASN HA 5.000 . 5.000 3.498 3.118 3.745 . 0 0 "[ . 1 .]" 1
236 1 98 ASP HB3 1 99 LYS H 5.000 . 5.000 2.635 1.842 3.948 . 0 0 "[ . 1 .]" 1
237 1 15 GLU HA 1 16 LYS H 5.000 . 5.000 3.279 3.036 3.472 . 0 0 "[ . 1 .]" 1
238 1 20 ALA HA 1 21 LYS H 5.000 . 5.000 3.518 3.471 3.559 . 0 0 "[ . 1 .]" 1
239 1 72 THR HA 1 73 SER H 5.000 . 5.000 2.425 2.304 2.483 . 0 0 "[ . 1 .]" 1
240 1 64 VAL HA 1 65 THR H 5.000 . 5.000 3.448 2.851 3.577 . 0 0 "[ . 1 .]" 1
241 1 63 LEU HA 1 65 THR H 5.000 . 5.000 3.807 3.538 4.121 . 0 0 "[ . 1 .]" 1
242 1 19 PHE HA 1 21 LYS H 5.000 . 5.000 3.640 3.503 3.805 . 0 0 "[ . 1 .]" 1
243 1 41 ASP HA 1 42 GLY H 5.000 . 5.000 3.359 3.316 3.490 . 0 0 "[ . 1 .]" 1
244 1 19 PHE HB3 1 21 LYS H 5.000 . 5.000 4.592 4.142 5.041 0.041 5 0 "[ . 1 .]" 1
245 1 73 SER HA 1 74 SER H 5.000 . 5.000 3.369 3.214 3.443 . 0 0 "[ . 1 .]" 1
246 1 48 ILE HA 1 95 GLY H 5.000 . 5.000 3.015 2.733 3.515 . 0 0 "[ . 1 .]" 1
247 1 33 ILE HB 1 81 VAL H 5.000 . 5.000 4.904 4.560 5.038 0.038 5 0 "[ . 1 .]" 1
248 1 94 VAL HB 1 101 ILE H 5.000 . 5.000 3.741 3.375 4.419 . 0 0 "[ . 1 .]" 1
249 1 19 PHE HA 1 36 SER H 5.000 . 5.000 4.424 4.195 4.555 . 0 0 "[ . 1 .]" 1
250 1 63 LEU HA 1 84 GLU H 5.000 . 5.000 3.455 2.901 3.856 . 0 0 "[ . 1 .]" 1
251 1 19 PHE HB3 1 20 ALA H 5.000 . 5.000 4.076 3.761 4.403 . 0 0 "[ . 1 .]" 1
252 1 33 ILE H 1 82 GLU HA 5.000 . 5.000 3.521 3.071 3.957 . 0 0 "[ . 1 .]" 1
253 1 18 SER HB3 1 19 PHE H 5.000 . 5.000 4.141 3.679 4.556 . 0 0 "[ . 1 .]" 1
254 1 13 CYS H 1 45 LYS H 5.000 . 5.000 2.507 2.355 2.658 . 0 0 "[ . 1 .]" 1
255 1 32 VAL HA 1 83 MET H 5.000 . 5.000 3.941 3.734 4.135 . 0 0 "[ . 1 .]" 1
256 1 18 SER H 1 37 TYR HA 5.000 . 5.000 3.604 3.514 3.656 . 0 0 "[ . 1 .]" 1
257 1 56 ASP HB3 1 57 MET H 5.000 . 5.000 3.920 2.583 4.492 . 0 0 "[ . 1 .]" 1
258 1 17 PHE HB2 1 18 SER H 5.000 . 5.000 4.399 4.337 4.444 . 0 0 "[ . 1 .]" 1
259 1 93 VAL HA 1 103 HIS H 5.000 . 5.000 3.303 2.636 3.607 . 0 0 "[ . 1 .]" 1
260 1 50 SER HB3 1 51 VAL H 5.000 . 5.000 4.016 3.802 4.114 . 0 0 "[ . 1 .]" 1
261 1 64 VAL HB 1 65 THR H 5.000 . 5.000 3.145 2.505 4.206 . 0 0 "[ . 1 .]" 1
262 1 21 LYS HB2 1 34 GLU H 5.000 . 5.000 2.642 2.258 2.875 . 0 0 "[ . 1 .]" 1
263 1 35 LEU H 1 80 LEU HA 5.000 . 5.000 3.271 3.064 3.537 . 0 0 "[ . 1 .]" 1
264 1 83 MET HB3 1 84 GLU H 5.000 . 5.000 3.773 3.198 4.233 . 0 0 "[ . 1 .]" 1
265 1 44 CYS HB3 1 45 LYS H 5.000 . 5.000 3.170 2.810 3.990 . 0 0 "[ . 1 .]" 1
266 1 62 ARG H 1 85 PRO HA 5.000 . 5.000 2.734 2.017 3.148 . 0 0 "[ . 1 .]" 1
267 1 59 PRO HB2 1 60 VAL H 5.000 . 5.000 3.530 3.411 3.643 . 0 0 "[ . 1 .]" 1
268 1 49 VAL H 1 93 VAL HB 5.000 . 5.000 3.543 3.264 3.856 . 0 0 "[ . 1 .]" 1
269 1 18 SER HB2 1 19 PHE H 5.000 . 5.000 4.559 4.368 4.691 . 0 0 "[ . 1 .]" 1
270 1 36 SER HB3 1 37 TYR H 5.000 . 5.000 3.711 3.466 4.078 . 0 0 "[ . 1 .]" 1
271 1 48 ILE HB 1 49 VAL H 5.000 . 5.000 4.120 3.912 4.566 . 0 0 "[ . 1 .]" 1
272 1 31 VAL HB 1 32 VAL H 5.000 . 5.000 4.048 3.856 4.376 . 0 0 "[ . 1 .]" 1
273 1 32 VAL H 1 33 ILE H 5.000 . 5.000 4.470 4.257 4.570 . 0 0 "[ . 1 .]" 1
274 1 55 ASN HB2 1 58 THR H 5.000 . 5.000 4.620 3.458 5.003 0.003 2 0 "[ . 1 .]" 1
275 1 76 ASN HB3 1 77 SER H 5.000 . 5.000 4.413 4.214 4.524 . 0 0 "[ . 1 .]" 1
276 1 77 SER H 1 78 LYS H 5.000 . 5.000 4.394 4.380 4.409 . 0 0 "[ . 1 .]" 1
277 1 24 ALA H 1 31 VAL HA 5.000 . 5.000 3.991 3.812 4.288 . 0 0 "[ . 1 .]" 1
278 1 93 VAL HB 1 94 VAL H 5.000 . 5.000 4.285 4.040 4.439 . 0 0 "[ . 1 .]" 1
279 1 100 GLN HB3 1 101 ILE H 5.000 . 5.000 3.915 3.637 4.669 . 0 0 "[ . 1 .]" 1
280 1 64 VAL H 1 84 GLU H 5.000 . 5.000 3.378 2.904 3.812 . 0 0 "[ . 1 .]" 1
281 1 41 ASP H 1 42 GLY H 5.000 . 5.000 2.266 2.086 2.347 . 0 0 "[ . 1 .]" 1
282 1 101 ILE HB 1 102 ASN H 5.000 . 5.000 4.125 2.875 4.550 . 0 0 "[ . 1 .]" 1
283 1 21 LYS H 1 34 GLU HB2 5.000 . 5.000 4.519 4.043 4.952 . 0 0 "[ . 1 .]" 1
284 1 34 GLU HB3 1 35 LEU H 5.000 . 5.000 4.232 3.922 4.402 . 0 0 "[ . 1 .]" 1
285 1 69 PHE HB2 1 70 VAL H 5.000 . 5.000 3.760 2.868 4.359 . 0 0 "[ . 1 .]" 1
286 1 77 SER HB2 1 78 LYS H 5.000 . 5.000 3.091 2.104 3.820 . 0 0 "[ . 1 .]" 1
287 1 52 ALA H 1 55 ASN H 5.000 . 5.000 4.972 4.730 5.064 0.064 2 0 "[ . 1 .]" 1
288 1 51 VAL HB 1 58 THR H 5.000 . 5.000 4.664 4.284 5.015 0.015 2 0 "[ . 1 .]" 1
289 1 103 HIS H 1 104 HIS H 5.000 . 5.000 4.482 4.294 4.541 . 0 0 "[ . 1 .]" 1
290 1 34 GLU H 1 35 LEU H 5.000 . 5.000 4.155 3.918 4.472 . 0 0 "[ . 1 .]" 1
291 1 63 LEU HB2 1 64 VAL H 5.000 . 5.000 4.364 4.126 4.639 . 0 0 "[ . 1 .]" 1
292 1 21 LYS H 1 22 ASN H 5.000 . 5.000 4.417 4.386 4.470 . 0 0 "[ . 1 .]" 1
293 1 75 ALA H 1 76 ASN H 5.000 . 5.000 2.693 2.654 2.732 . 0 0 "[ . 1 .]" 1
294 1 37 TYR H 1 77 SER H 5.000 . 5.000 3.642 3.539 3.765 . 0 0 "[ . 1 .]" 1
295 1 18 SER H 1 35 LEU HA 5.000 . 5.000 3.895 3.750 4.020 . 0 0 "[ . 1 .]" 1
296 1 80 LEU HB3 1 81 VAL H 5.000 . 5.000 3.920 3.561 4.240 . 0 0 "[ . 1 .]" 1
297 1 33 ILE H 1 80 LEU HG 5.000 . 5.000 3.949 2.613 4.943 . 0 0 "[ . 1 .]" 1
298 1 34 GLU HB2 1 35 LEU H 5.000 . 5.000 4.609 4.456 4.697 . 0 0 "[ . 1 .]" 1
299 1 19 PHE H 1 20 ALA H 5.000 . 5.000 4.431 4.283 4.556 . 0 0 "[ . 1 .]" 1
300 1 20 ALA H 1 34 GLU H 5.000 . 5.000 4.269 3.949 4.725 . 0 0 "[ . 1 .]" 1
301 1 49 VAL H 1 50 SER H 5.000 . 5.000 4.397 3.971 4.529 . 0 0 "[ . 1 .]" 1
302 1 69 PHE H 1 70 VAL H 5.000 . 5.000 4.359 4.075 4.560 . 0 0 "[ . 1 .]" 1
303 1 16 LYS H 1 17 PHE H 5.000 . 5.000 3.550 3.197 4.094 . 0 0 "[ . 1 .]" 1
304 1 33 ILE H 1 34 GLU H 5.000 . 5.000 4.406 4.297 4.530 . 0 0 "[ . 1 .]" 1
305 1 48 ILE H 1 49 VAL H 5.000 . 5.000 4.465 4.170 4.539 . 0 0 "[ . 1 .]" 1
306 1 17 PHE H 1 18 SER H 5.000 . 5.000 4.566 4.281 4.617 . 0 0 "[ . 1 .]" 1
307 1 62 ARG HB3 1 63 LEU H 5.000 . 5.000 2.871 2.799 3.090 . 0 0 "[ . 1 .]" 1
308 1 82 GLU H 1 83 MET H 5.000 . 5.000 4.407 4.329 4.527 . 0 0 "[ . 1 .]" 1
309 1 44 CYS H 1 45 LYS H 5.000 . 5.000 4.378 4.354 4.439 . 0 0 "[ . 1 .]" 1
310 1 90 SER H 1 91 TYR HA 5.000 . 5.000 4.791 4.689 4.929 . 0 0 "[ . 1 .]" 1
311 1 46 ILE HG13 1 70 VAL H 5.000 . 5.000 2.632 2.064 4.185 . 0 0 "[ . 1 .]" 1
312 1 93 VAL H 1 94 VAL H 5.000 . 5.000 4.301 4.151 4.497 . 0 0 "[ . 1 .]" 1
313 1 20 ALA H 1 35 LEU H 5.000 . 5.000 4.441 4.317 4.694 . 0 0 "[ . 1 .]" 1
314 1 80 LEU H 1 81 VAL H 5.000 . 5.000 4.371 4.198 4.455 . 0 0 "[ . 1 .]" 1
315 1 93 VAL HB 1 95 GLY H 5.000 . 5.000 4.927 4.508 5.023 0.023 15 0 "[ . 1 .]" 1
316 1 27 GLY H 1 30 THR HG1 5.000 . 5.000 2.478 1.878 4.183 . 0 0 "[ . 1 .]" 1
317 1 36 SER H 1 37 TYR H 5.000 . 5.000 4.530 4.498 4.560 . 0 0 "[ . 1 .]" 1
318 1 94 VAL HB 1 95 GLY H 5.000 . 5.000 4.456 4.380 4.548 . 0 0 "[ . 1 .]" 1
319 1 99 LYS H 1 100 GLN H 5.000 . 5.000 4.496 4.269 4.654 . 0 0 "[ . 1 .]" 1
320 1 79 VAL H 1 80 LEU H 5.000 . 5.000 4.621 4.612 4.630 . 0 0 "[ . 1 .]" 1
321 1 31 VAL H 1 32 VAL H 5.000 . 5.000 4.524 4.290 4.623 . 0 0 "[ . 1 .]" 1
322 1 14 THR HA 1 16 LYS H 5.000 . 5.000 3.127 2.931 4.614 . 0 0 "[ . 1 .]" 1
323 1 32 VAL HA 1 81 VAL H 5.000 . 5.000 4.731 4.224 5.005 0.005 1 0 "[ . 1 .]" 1
324 1 35 LEU H 1 36 SER H 5.000 . 5.000 4.454 4.337 4.502 . 0 0 "[ . 1 .]" 1
325 1 17 PHE HA 1 36 SER H 5.000 . 5.000 5.017 4.990 5.042 0.042 1 0 "[ . 1 .]" 1
326 1 64 VAL H 1 83 MET H 5.000 . 5.000 3.792 3.461 4.091 . 0 0 "[ . 1 .]" 1
327 1 63 LEU HB2 1 65 THR H 5.000 . 5.000 4.296 3.419 4.992 . 0 0 "[ . 1 .]" 1
328 1 26 THR HG1 1 31 VAL H 5.000 . 5.000 4.828 3.926 5.013 0.013 8 0 "[ . 1 .]" 1
329 1 49 VAL H 1 95 GLY H 5.000 . 5.000 4.472 4.129 4.664 . 0 0 "[ . 1 .]" 1
330 1 101 ILE H 1 102 ASN H 5.000 . 5.000 4.391 4.196 4.624 . 0 0 "[ . 1 .]" 1
331 1 19 PHE HB2 1 20 ALA H 5.000 . 5.000 4.035 3.546 4.393 . 0 0 "[ . 1 .]" 1
332 1 61 GLY H 1 62 ARG H 5.000 . 5.000 4.652 4.541 4.681 . 0 0 "[ . 1 .]" 1
333 1 40 SER H 1 41 ASP H 5.000 . 5.000 2.825 2.677 3.043 . 0 0 "[ . 1 .]" 1
334 1 71 ALA H 1 72 THR H 5.000 . 5.000 3.638 3.501 4.046 . 0 0 "[ . 1 .]" 1
335 1 35 LEU H 1 79 VAL H 5.000 . 5.000 3.914 3.370 4.246 . 0 0 "[ . 1 .]" 1
336 1 96 MET H 1 100 GLN HA 5.000 . 5.000 3.958 2.810 4.681 . 0 0 "[ . 1 .]" 1
337 1 52 ALA H 1 53 SER H 5.000 . 5.000 4.693 4.682 4.709 . 0 0 "[ . 1 .]" 1
338 1 5 LEU H 1 6 LYS H 5.000 . 5.000 4.093 3.412 4.557 . 0 0 "[ . 1 .]" 1
339 1 48 ILE HG12 1 49 VAL H 5.000 . 5.000 4.506 4.105 5.013 0.013 12 0 "[ . 1 .]" 1
340 1 18 SER HB2 1 36 SER H 5.000 . 5.000 3.281 2.174 4.156 . 0 0 "[ . 1 .]" 1
341 1 44 CYS H 1 69 PHE HA 5.000 . 5.000 4.723 4.321 4.998 . 0 0 "[ . 1 .]" 1
342 1 21 LYS HG3 1 34 GLU H 5.000 . 5.000 3.722 3.546 3.830 . 0 0 "[ . 1 .]" 1
343 1 76 ASN H 1 77 SER HA 5.000 . 5.000 5.090 5.076 5.122 0.122 5 0 "[ . 1 .]" 1
344 1 13 CYS H 1 44 CYS HB3 5.000 . 5.000 2.408 1.745 5.006 0.055 11 0 "[ . 1 .]" 1
345 1 46 ILE HG12 1 70 VAL H 5.000 . 5.000 3.273 2.413 3.938 . 0 0 "[ . 1 .]" 1
346 1 37 TYR H 1 38 SER HA 5.000 . 5.000 5.031 5.004 5.060 0.060 5 0 "[ . 1 .]" 1
347 1 36 SER H 1 37 TYR HA 5.000 . 5.000 5.140 5.108 5.177 0.177 5 0 "[ . 1 .]" 1
348 1 12 MET H 1 45 LYS H 5.000 . 5.000 4.744 3.914 5.019 0.019 6 0 "[ . 1 .]" 1
349 1 52 ALA H 1 60 VAL H 5.000 . 5.000 4.055 3.606 4.331 . 0 0 "[ . 1 .]" 1
350 1 23 PRO HA 1 33 ILE H 5.000 . 5.000 4.671 4.458 4.813 . 0 0 "[ . 1 .]" 1
351 1 50 SER HB2 1 61 GLY H 5.000 . 5.000 4.309 3.418 4.996 . 0 0 "[ . 1 .]" 1
352 1 35 LEU H 1 36 SER HA 5.000 . 5.000 4.859 4.722 5.006 0.006 15 0 "[ . 1 .]" 1
353 1 41 ASP H 1 42 GLY HA2 5.000 . 5.000 4.655 4.455 4.769 . 0 0 "[ . 1 .]" 1
354 1 80 LEU H 1 81 VAL HA 5.000 . 5.000 4.876 4.753 4.940 . 0 0 "[ . 1 .]" 1
355 1 49 VAL H 1 92 ILE HA 5.000 . 5.000 4.590 4.358 4.850 . 0 0 "[ . 1 .]" 1
356 1 46 ILE HB 1 69 PHE H 5.000 . 5.000 4.987 4.782 5.065 0.065 13 0 "[ . 1 .]" 1
357 1 5 LEU HG 1 6 LYS H 5.000 . 5.000 3.977 2.124 4.956 . 0 0 "[ . 1 .]" 1
358 1 24 ALA HA 1 32 VAL H 5.000 . 5.000 4.437 4.279 4.823 . 0 0 "[ . 1 .]" 1
359 1 94 VAL H 1 102 ASN H 5.000 . 5.000 4.916 4.782 5.006 0.006 14 0 "[ . 1 .]" 1
360 1 55 ASN HB2 1 57 MET H 5.000 . 5.000 4.858 4.231 5.058 0.058 10 0 "[ . 1 .]" 1
361 1 35 LEU H 1 80 LEU H 5.000 . 5.000 4.904 4.638 5.014 0.014 7 0 "[ . 1 .]" 1
362 1 94 VAL HA 1 101 ILE H 5.000 . 5.000 4.841 4.606 5.009 0.009 13 0 "[ . 1 .]" 1
363 1 32 VAL HA 1 82 GLU H 5.000 . 5.000 4.976 4.839 5.032 0.032 1 0 "[ . 1 .]" 1
364 1 35 LEU H 1 81 VAL H 5.000 . 5.000 4.122 3.732 4.782 . 0 0 "[ . 1 .]" 1
365 1 21 LYS H 1 33 ILE HA 5.000 . 5.000 5.029 5.009 5.057 0.057 10 0 "[ . 1 .]" 1
366 1 46 ILE H 1 68 PRO HA 5.000 . 5.000 4.837 4.265 5.021 0.021 12 0 "[ . 1 .]" 1
367 1 62 ARG HG2 1 63 LEU H 5.000 . 5.000 4.528 4.337 4.718 . 0 0 "[ . 1 .]" 1
368 1 49 VAL HA 1 93 VAL H 5.000 . 5.000 4.900 4.782 5.014 0.014 6 0 "[ . 1 .]" 1
369 1 90 SER H 1 104 HIS HA 5.000 . 5.000 4.587 4.279 5.003 0.003 4 0 "[ . 1 .]" 1
370 1 18 SER H 1 36 SER HB2 5.000 . 5.000 4.365 3.978 4.820 . 0 0 "[ . 1 .]" 1
371 1 25 ASP HA 1 30 THR H 5.000 . 5.000 4.226 3.943 4.675 . 0 0 "[ . 1 .]" 1
372 1 31 VAL H 1 84 GLU QB 5.000 . 5.000 4.075 3.711 4.581 . 0 0 "[ . 1 .]" 1
373 1 43 PRO HG2 1 44 CYS H 5.000 . 5.000 4.802 4.708 4.985 . 0 0 "[ . 1 .]" 1
374 1 50 SER H 1 92 ILE HA 5.000 . 5.000 4.981 4.815 5.021 0.021 4 0 "[ . 1 .]" 1
375 1 23 PRO HA 1 34 GLU H 5.000 . 5.000 4.973 4.865 5.031 0.031 10 0 "[ . 1 .]" 1
376 1 62 ARG H 1 84 GLU HA 5.000 . 5.000 5.044 4.986 5.080 0.080 7 0 "[ . 1 .]" 1
377 1 72 THR HA 1 74 SER H 5.000 . 5.000 3.960 3.818 4.111 . 0 0 "[ . 1 .]" 1
378 1 63 LEU H 1 83 MET HA 5.000 . 5.000 4.554 4.285 4.831 . 0 0 "[ . 1 .]" 1
379 1 70 VAL QG 1 72 THR H 6.000 . 6.000 3.076 2.628 3.931 . 0 0 "[ . 1 .]" 1
380 1 75 ALA HA 1 77 SER H 5.000 . 5.000 3.127 3.065 3.264 . 0 0 "[ . 1 .]" 1
381 1 36 SER HB2 1 38 SER H 5.000 . 5.000 4.349 4.189 4.665 . 0 0 "[ . 1 .]" 1
382 1 93 VAL H 1 103 HIS H 5.000 . 5.000 4.805 4.432 4.907 . 0 0 "[ . 1 .]" 1
383 1 52 ALA H 1 91 TYR H 5.000 . 5.000 4.278 4.069 4.384 . 0 0 "[ . 1 .]" 1
384 1 17 PHE HA 1 37 TYR H 5.000 . 5.000 4.935 4.751 5.021 0.021 14 0 "[ . 1 .]" 1
385 1 38 SER H 1 39 GLY HA3 5.000 . 5.000 5.068 5.051 5.095 0.095 12 0 "[ . 1 .]" 1
386 1 48 ILE HG13 1 49 VAL H 5.000 . 5.000 4.381 3.830 4.986 . 0 0 "[ . 1 .]" 1
387 1 7 GLY H 1 8 THR HA 5.000 . 5.000 4.688 4.296 4.976 . 0 0 "[ . 1 .]" 1
388 1 17 PHE H 1 37 TYR HA 5.000 . 5.000 4.880 4.556 5.013 0.013 3 0 "[ . 1 .]" 1
389 1 25 ASP H 1 31 VAL HA 5.000 . 5.000 4.439 4.014 4.912 . 0 0 "[ . 1 .]" 1
390 1 33 ILE H 1 81 VAL HB 5.000 . 5.000 4.078 3.676 5.039 0.039 5 0 "[ . 1 .]" 1
391 1 18 SER H 1 37 TYR HB2 5.000 . 5.000 4.992 4.921 5.024 0.024 6 0 "[ . 1 .]" 1
392 1 13 CYS H 1 44 CYS HA 5.000 . 5.000 3.644 3.345 4.529 . 0 0 "[ . 1 .]" 1
393 1 78 LYS HG3 1 79 VAL H 5.000 . 5.000 4.633 4.270 5.001 0.001 7 0 "[ . 1 .]" 1
394 1 30 THR HA 1 84 GLU H 6.000 . 6.000 5.088 4.617 5.465 . 0 0 "[ . 1 .]" 1
395 1 64 VAL HB 1 84 GLU H 5.000 . 5.000 4.595 3.394 4.959 . 0 0 "[ . 1 .]" 1
396 1 75 ALA H 1 76 ASN HB2 5.000 . 5.000 4.728 4.319 4.980 . 0 0 "[ . 1 .]" 1
397 1 99 LYS HD2 1 100 GLN H 5.000 . 5.000 4.265 2.827 4.967 . 0 0 "[ . 1 .]" 1
398 1 5 LEU H 1 6 LYS HA 5.000 . 5.000 4.974 4.899 5.045 0.045 14 0 "[ . 1 .]" 1
399 1 64 VAL HB 1 83 MET H 5.000 . 5.000 3.782 3.167 4.906 . 0 0 "[ . 1 .]" 1
400 1 47 PRO HG2 1 48 ILE H 6.000 2.800 6.000 5.072 4.915 5.201 . 0 0 "[ . 1 .]" 1
401 1 69 PHE H 1 71 ALA H 5.000 . 5.000 4.779 4.357 5.031 0.031 7 0 "[ . 1 .]" 1
402 1 14 THR H 1 15 GLU HA 5.000 . 5.000 4.171 4.018 4.538 . 0 0 "[ . 1 .]" 1
403 1 40 SER HA 1 42 GLY H 5.000 . 5.000 3.495 3.325 3.867 . 0 0 "[ . 1 .]" 1
404 1 47 PRO HG3 1 48 ILE H 6.000 2.800 6.000 5.795 5.683 5.831 . 0 0 "[ . 1 .]" 1
405 1 53 SER HB2 1 91 TYR H 5.000 . 5.000 4.262 3.739 4.877 . 0 0 "[ . 1 .]" 1
406 1 39 GLY HA3 1 41 ASP H 5.000 . 5.000 3.163 3.089 3.329 . 0 0 "[ . 1 .]" 1
407 1 45 LYS HD3 1 46 ILE H 5.000 . 5.000 4.089 3.880 4.318 . 0 0 "[ . 1 .]" 1
408 1 39 GLY HA2 1 41 ASP H 5.000 . 5.000 3.696 3.560 3.932 . 0 0 "[ . 1 .]" 1
409 1 91 TYR H 1 91 TYR QE 6.000 . 6.000 5.354 4.943 5.737 . 0 0 "[ . 1 .]" 1
410 1 46 ILE H 1 46 ILE HG13 5.000 . 5.000 1.924 1.777 3.341 0.023 14 0 "[ . 1 .]" 1
411 1 48 ILE H 1 48 ILE HG12 5.000 . 5.000 4.342 3.916 4.757 . 0 0 "[ . 1 .]" 1
412 1 78 LYS H 1 78 LYS HG2 5.000 . 5.000 3.188 1.855 4.312 . 0 0 "[ . 1 .]" 1
413 1 30 THR H 1 30 THR HG1 5.000 . 5.000 2.378 1.857 4.021 . 0 0 "[ . 1 .]" 1
414 1 19 PHE H 1 19 PHE HE1 5.000 . 5.000 4.802 4.239 5.202 0.202 5 0 "[ . 1 .]" 1
415 1 17 PHE H 1 17 PHE HD1 5.000 . 5.000 3.738 3.290 4.802 . 0 0 "[ . 1 .]" 1
416 1 69 PHE H 1 69 PHE HD1 5.000 . 5.000 3.529 2.286 4.626 . 0 0 "[ . 1 .]" 1
417 1 78 LYS H 1 78 LYS HG3 5.000 . 5.000 2.842 1.884 3.611 . 0 0 "[ . 1 .]" 1
418 1 58 THR H 1 58 THR HG1 5.000 . 5.000 3.087 2.283 3.710 . 0 0 "[ . 1 .]" 1
419 1 10 TYR H 1 10 TYR HD1 5.000 . 5.000 4.445 2.773 5.049 0.049 15 0 "[ . 1 .]" 1
420 1 63 LEU H 1 63 LEU HG 5.000 . 5.000 3.094 2.525 4.168 . 0 0 "[ . 1 .]" 1
421 1 72 THR H 1 72 THR HG1 5.000 . 5.000 3.469 2.349 4.433 . 0 0 "[ . 1 .]" 1
422 1 102 ASN H 1 102 ASN HD22 5.000 . 5.000 3.888 3.105 4.605 . 0 0 "[ . 1 .]" 1
423 1 21 LYS H 1 21 LYS HE2 5.000 . 5.000 4.940 4.700 5.033 0.033 3 0 "[ . 1 .]" 1
424 1 62 ARG H 1 83 MET HB3 5.000 . 5.000 4.902 4.218 5.031 0.031 11 0 "[ . 1 .]" 1
425 1 100 GLN HE22 1 101 ILE H 5.000 . 5.000 5.061 5.010 5.120 0.120 6 0 "[ . 1 .]" 1
426 1 53 SER HB2 1 90 SER H 5.000 . 5.000 3.589 2.995 4.750 . 0 0 "[ . 1 .]" 1
427 1 14 THR H 1 15 GLU HB3 5.000 . 5.000 4.062 3.536 5.059 0.059 4 0 "[ . 1 .]" 1
428 1 74 SER HA 1 76 ASN H 5.000 . 5.000 3.059 3.020 3.100 . 0 0 "[ . 1 .]" 1
429 1 13 CYS HA 1 15 GLU H 5.000 . 5.000 4.008 3.554 5.016 0.016 4 0 "[ . 1 .]" 1
430 1 74 SER HA 1 77 SER H 5.000 . 5.000 4.949 4.513 5.031 0.031 9 0 "[ . 1 .]" 1
431 1 73 SER HA 1 75 ALA H 5.000 . 5.000 3.901 3.731 4.014 . 0 0 "[ . 1 .]" 1
432 1 52 ALA H 1 61 GLY HA3 5.000 . 5.000 5.049 5.016 5.089 0.089 11 0 "[ . 1 .]" 1
433 1 47 PRO HD2 1 95 GLY H 5.000 . 5.000 4.981 4.798 5.030 0.030 12 0 "[ . 1 .]" 1
434 1 16 LYS H 1 96 MET ME 5.000 . 5.000 4.320 3.859 4.693 . 0 0 "[ . 1 .]" 1
435 1 16 LYS HE2 1 41 ASP H 5.000 . 5.000 4.411 3.781 5.017 0.017 9 0 "[ . 1 .]" 1
436 1 57 MET H 1 58 THR HG1 5.000 . 5.000 4.063 2.858 4.750 . 0 0 "[ . 1 .]" 1
437 1 15 GLU H 1 47 PRO HG3 5.000 . 5.000 4.856 4.035 5.064 0.064 4 0 "[ . 1 .]" 1
438 1 46 ILE HG13 1 69 PHE H 5.000 . 5.000 4.330 3.379 5.011 0.011 8 0 "[ . 1 .]" 1
439 1 74 SER H 1 76 ASN H 5.000 . 5.000 4.456 4.330 4.601 . 0 0 "[ . 1 .]" 1
440 1 98 ASP HA 1 99 LYS H 5.000 . 5.000 3.529 3.394 3.586 . 0 0 "[ . 1 .]" 1
441 1 43 PRO HG2 1 72 THR H 5.000 . 5.000 5.031 5.016 5.044 0.044 8 0 "[ . 1 .]" 1
442 1 95 GLY H 1 100 GLN HA 5.000 . 5.000 4.523 4.194 5.006 0.006 12 0 "[ . 1 .]" 1
443 1 62 ARG H 1 63 LEU H 5.000 . 5.000 4.498 4.456 4.560 . 0 0 "[ . 1 .]" 1
444 1 46 ILE H 1 69 PHE H 5.000 . 5.000 4.226 4.076 4.525 . 0 0 "[ . 1 .]" 1
445 1 63 LEU H 1 64 VAL H 5.000 . 5.000 4.484 4.215 4.613 . 0 0 "[ . 1 .]" 1
446 1 95 GLY HA2 1 101 ILE H 5.000 . 5.000 3.650 2.939 4.197 . 0 0 "[ . 1 .]" 1
447 1 24 ALA H 1 32 VAL HB 5.000 . 5.000 4.070 3.207 4.702 . 0 0 "[ . 1 .]" 1
448 1 24 ALA H 1 33 ILE HB 5.000 . 5.000 4.485 4.147 4.729 . 0 0 "[ . 1 .]" 1
449 1 51 VAL H 1 92 ILE HG12 6.000 . 6.000 5.011 4.128 5.697 . 0 0 "[ . 1 .]" 1
450 1 92 ILE MD 1 103 HIS H 6.000 . 6.000 4.402 3.850 4.976 . 0 0 "[ . 1 .]" 1
451 1 62 ARG H 1 84 GLU QG 6.000 . 6.000 3.383 2.672 5.430 . 0 0 "[ . 1 .]" 1
452 1 92 ILE MD 1 93 VAL H 6.000 . 6.000 4.182 1.955 4.981 . 0 0 "[ . 1 .]" 1
453 1 48 ILE MD 1 49 VAL H 6.000 . 6.000 4.847 4.227 5.040 . 0 0 "[ . 1 .]" 1
454 1 35 LEU MD1 1 79 VAL H 6.000 . 6.000 4.719 4.556 4.828 . 0 0 "[ . 1 .]" 1
455 1 50 SER H 1 51 VAL MG2 6.000 . 6.000 4.318 3.220 4.704 . 0 0 "[ . 1 .]" 1
456 1 40 SER H 1 41 ASP QB 6.000 . 6.000 4.210 3.965 4.523 . 0 0 "[ . 1 .]" 1
457 1 63 LEU HG 1 65 THR H 6.000 . 6.000 5.328 4.504 6.011 0.011 10 0 "[ . 1 .]" 1
458 1 74 SER QB 1 75 ALA H 6.000 . 6.000 3.705 3.517 3.955 . 0 0 "[ . 1 .]" 1
459 1 20 ALA MB 1 21 LYS H 6.000 . 6.000 2.785 2.617 2.989 . 0 0 "[ . 1 .]" 1
460 1 71 ALA MB 1 72 THR H 6.000 . 6.000 3.729 3.697 3.737 . 0 0 "[ . 1 .]" 1
461 1 66 VAL MG2 1 67 ASN H 6.000 . 6.000 3.500 3.069 3.937 . 0 0 "[ . 1 .]" 1
462 1 10 TYR QB 1 11 GLY H 6.000 . 6.000 2.746 2.286 3.880 . 0 0 "[ . 1 .]" 1
463 1 93 VAL QG 1 95 GLY H 6.000 . 6.000 3.666 3.100 3.964 . 0 0 "[ . 1 .]" 1
464 1 93 VAL QG 1 94 VAL H 6.000 . 6.000 2.842 2.304 3.078 . 0 0 "[ . 1 .]" 1
465 1 24 ALA H 1 31 VAL MG1 6.000 . 6.000 2.689 2.502 2.874 . 0 0 "[ . 1 .]" 1
466 1 75 ALA MB 1 76 ASN H 6.000 . 6.000 3.296 3.035 3.399 . 0 0 "[ . 1 .]" 1
467 1 31 VAL MG1 1 32 VAL H 6.000 . 6.000 2.422 2.007 3.105 . 0 0 "[ . 1 .]" 1
468 1 13 CYS QB 1 14 THR H 6.000 . 6.000 3.620 2.573 3.730 . 0 0 "[ . 1 .]" 1
469 1 24 ALA MB 1 25 ASP H 6.000 . 6.000 2.845 2.490 3.299 . 0 0 "[ . 1 .]" 1
470 1 65 THR MG 1 66 VAL H 6.000 . 6.000 2.939 1.845 3.822 . 0 0 "[ . 1 .]" 1
471 1 80 LEU MD1 1 81 VAL H 6.000 . 6.000 4.556 3.841 4.793 . 0 0 "[ . 1 .]" 1
472 1 89 ASP QB 1 90 SER H 6.000 . 6.000 3.085 2.625 3.712 . 0 0 "[ . 1 .]" 1
473 1 24 ALA H 1 32 VAL QG 6.000 . 6.000 2.805 2.028 3.894 . 0 0 "[ . 1 .]" 1
474 1 40 SER QB 1 41 ASP H 6.000 . 6.000 3.805 3.583 4.001 . 0 0 "[ . 1 .]" 1
475 1 46 ILE MD 1 69 PHE H 6.000 . 6.000 3.936 3.015 4.879 . 0 0 "[ . 1 .]" 1
476 1 52 ALA H 1 60 VAL QG 6.000 . 6.000 2.280 1.660 2.838 0.140 9 0 "[ . 1 .]" 1
477 1 47 PRO QB 1 95 GLY H 6.000 . 6.000 3.728 3.309 3.917 . 0 0 "[ . 1 .]" 1
478 1 75 ALA MB 1 77 SER H 6.000 . 6.000 4.107 4.058 4.180 . 0 0 "[ . 1 .]" 1
479 1 70 VAL QG 1 71 ALA H 6.000 . 6.000 3.641 3.480 3.762 . 0 0 "[ . 1 .]" 1
480 1 26 THR MG 1 32 VAL H 6.000 . 6.000 4.456 3.722 4.887 . 0 0 "[ . 1 .]" 1
481 1 21 LYS H 1 35 LEU MD1 6.000 . 6.000 4.881 4.854 4.932 . 0 0 "[ . 1 .]" 1
482 1 18 SER H 1 35 LEU MD1 6.000 . 6.000 4.970 4.916 5.025 . 0 0 "[ . 1 .]" 1
483 1 60 VAL QG 1 61 GLY H 6.000 . 6.000 2.823 1.828 3.661 . 0 0 "[ . 1 .]" 1
484 1 79 VAL MG2 1 80 LEU H 6.000 . 6.000 3.289 3.182 3.454 . 0 0 "[ . 1 .]" 1
485 1 13 CYS H 1 47 PRO QG 6.000 . 6.000 5.063 4.638 5.216 . 0 0 "[ . 1 .]" 1
486 1 35 LEU MD2 1 36 SER H 6.000 . 6.000 4.913 4.852 4.974 . 0 0 "[ . 1 .]" 1
487 1 52 ALA MB 1 53 SER H 6.000 . 6.000 2.618 2.538 2.723 . 0 0 "[ . 1 .]" 1
488 1 16 LYS QB 1 17 PHE H 6.000 . 6.000 3.945 3.926 4.026 . 0 0 "[ . 1 .]" 1
489 1 13 CYS H 1 45 LYS QG 6.000 . 6.000 3.762 3.540 4.009 . 0 0 "[ . 1 .]" 1
490 1 47 PRO QB 1 48 ILE H 6.000 . 6.000 3.822 3.687 3.992 . 0 0 "[ . 1 .]" 1
491 1 37 TYR QB 1 38 SER H 6.000 . 6.000 4.023 3.985 4.044 . 0 0 "[ . 1 .]" 1
492 1 79 VAL MG1 1 80 LEU H 6.000 2.800 6.000 3.864 3.736 3.940 . 0 0 "[ . 1 .]" 1
493 1 25 ASP QB 1 27 GLY H 6.000 . 6.000 4.032 3.075 5.310 . 0 0 "[ . 1 .]" 1
494 1 51 VAL MG1 1 58 THR H 6.000 . 6.000 3.661 2.839 4.147 . 0 0 "[ . 1 .]" 1
495 1 78 LYS H 1 79 VAL QG 6.000 . 6.000 4.298 4.210 4.386 . 0 0 "[ . 1 .]" 1
496 1 49 VAL MG1 1 95 GLY H 6.000 . 6.000 4.486 4.119 4.746 . 0 0 "[ . 1 .]" 1
497 1 26 THR H 1 32 VAL QG 6.000 . 6.000 3.265 2.668 3.625 . 0 0 "[ . 1 .]" 1
498 1 51 VAL MG1 1 52 ALA H 6.000 . 6.000 3.357 1.935 3.901 . 0 0 "[ . 1 .]" 1
499 1 32 VAL QG 1 33 ILE H 6.000 . 6.000 3.094 2.130 3.481 . 0 0 "[ . 1 .]" 1
500 1 25 ASP QB 1 26 THR H 6.000 . 6.000 3.500 2.694 3.945 . 0 0 "[ . 1 .]" 1
501 1 49 VAL H 1 94 VAL MG2 6.000 . 6.000 3.905 3.455 4.117 . 0 0 "[ . 1 .]" 1
502 1 53 SER H 1 89 ASP QB 6.000 . 6.000 3.684 2.974 4.578 . 0 0 "[ . 1 .]" 1
503 1 62 ARG H 1 84 GLU QB 6.000 . 6.000 4.689 3.636 5.020 . 0 0 "[ . 1 .]" 1
504 1 24 ALA MB 1 32 VAL H 6.000 . 6.000 3.503 3.313 3.721 . 0 0 "[ . 1 .]" 1
505 1 20 ALA MB 1 36 SER H 6.000 . 6.000 3.130 2.781 3.492 . 0 0 "[ . 1 .]" 1
506 1 35 LEU MD1 1 36 SER H 6.000 . 6.000 4.880 4.827 4.940 . 0 0 "[ . 1 .]" 1
507 1 37 TYR H 1 70 VAL QG 6.000 . 6.000 4.391 4.229 4.469 . 0 0 "[ . 1 .]" 1
508 1 15 GLU H 1 16 LYS QG 6.000 . 6.000 3.960 3.169 5.230 . 0 0 "[ . 1 .]" 1
509 1 20 ALA MB 1 34 GLU H 6.000 . 6.000 4.354 4.071 4.823 . 0 0 "[ . 1 .]" 1
510 1 65 THR MG 1 82 GLU H 6.000 . 6.000 3.116 1.844 4.959 . 0 0 "[ . 1 .]" 1
511 1 48 ILE H 1 63 LEU QD 6.000 . 6.000 4.311 4.061 4.485 . 0 0 "[ . 1 .]" 1
512 1 5 LEU MD1 1 67 ASN H 6.000 . 6.000 4.403 3.462 4.866 . 0 0 "[ . 1 .]" 1
513 1 74 SER H 1 75 ALA MB 6.000 . 6.000 3.675 3.553 3.886 . 0 0 "[ . 1 .]" 1
514 1 41 ASP QB 1 42 GLY H 6.000 . 6.000 3.377 2.897 3.828 . 0 0 "[ . 1 .]" 1
515 1 32 VAL QG 1 83 MET H 6.000 . 6.000 4.321 4.049 4.435 . 0 0 "[ . 1 .]" 1
516 1 93 VAL H 1 94 VAL MG2 6.000 . 6.000 4.076 3.891 4.261 . 0 0 "[ . 1 .]" 1
517 1 20 ALA MB 1 35 LEU H 6.000 . 6.000 4.347 4.039 4.681 . 0 0 "[ . 1 .]" 1
518 1 49 VAL H 1 93 VAL QG 6.000 . 6.000 4.048 3.889 4.264 . 0 0 "[ . 1 .]" 1
519 1 31 VAL H 1 32 VAL QG 6.000 . 6.000 4.227 3.998 4.370 . 0 0 "[ . 1 .]" 1
520 1 31 VAL MG1 1 83 MET H 6.000 . 6.000 3.895 3.509 4.244 . 0 0 "[ . 1 .]" 1
521 1 51 VAL MG1 1 57 MET H 6.000 . 6.000 4.628 3.560 4.789 . 0 0 "[ . 1 .]" 1
522 1 46 ILE H 1 48 ILE MD 6.000 . 6.000 4.524 3.893 4.833 . 0 0 "[ . 1 .]" 1
523 1 94 VAL MG2 1 95 GLY H 6.000 . 6.000 4.261 4.137 4.317 . 0 0 "[ . 1 .]" 1
524 1 24 ALA H 1 31 VAL MG2 6.000 . 6.000 4.928 4.700 4.971 . 0 0 "[ . 1 .]" 1
525 1 17 PHE QB 1 94 VAL H 6.000 . 6.000 5.409 5.309 5.460 . 0 0 "[ . 1 .]" 1
526 1 13 CYS H 1 45 LYS QB 6.000 . 6.000 3.461 2.740 3.859 . 0 0 "[ . 1 .]" 1
527 1 20 ALA H 1 35 LEU MD1 6.000 . 6.000 4.382 4.307 4.484 . 0 0 "[ . 1 .]" 1
528 1 43 PRO QB 1 70 VAL H 6.000 . 6.000 4.904 4.115 5.185 . 0 0 "[ . 1 .]" 1
529 1 51 VAL MG1 1 60 VAL H 6.000 . 6.000 2.488 1.764 3.314 0.036 13 0 "[ . 1 .]" 1
530 1 35 LEU MD1 1 80 LEU H 6.000 . 6.000 4.909 4.710 4.964 . 0 0 "[ . 1 .]" 1
531 1 74 SER H 1 76 ASN QD 6.000 . 6.000 4.929 3.986 5.397 . 0 0 "[ . 1 .]" 1
532 1 13 CYS QB 1 15 GLU H 6.000 . 6.000 4.562 4.420 5.083 . 0 0 "[ . 1 .]" 1
533 1 37 TYR H 1 75 ALA MB 6.000 . 6.000 4.911 4.871 4.951 . 0 0 "[ . 1 .]" 1
534 1 35 LEU MD1 1 81 VAL H 6.000 . 6.000 2.954 2.665 3.308 . 0 0 "[ . 1 .]" 1
535 1 80 LEU MD2 1 82 GLU H 6.000 . 6.000 4.645 4.281 4.882 . 0 0 "[ . 1 .]" 1
536 1 16 LYS QG 1 41 ASP H 6.000 . 6.000 5.075 4.846 5.245 . 0 0 "[ . 1 .]" 1
537 1 60 VAL MG1 1 61 GLY H 6.000 . 6.000 3.505 1.881 4.078 . 0 0 "[ . 1 .]" 1
538 1 14 THR H 1 45 LYS H 6.000 . 6.000 5.988 5.859 6.100 0.100 14 0 "[ . 1 .]" 1
539 1 17 PHE H 1 46 ILE MG 6.000 . 6.000 5.013 4.741 5.090 . 0 0 "[ . 1 .]" 1
540 1 31 VAL H 1 64 VAL HB 5.000 . 5.000 4.755 4.420 5.015 0.015 8 0 "[ . 1 .]" 1
541 1 33 ILE H 1 80 LEU HB3 5.500 . 5.500 5.494 5.249 5.529 0.029 10 0 "[ . 1 .]" 1
542 1 34 GLU H 1 35 LEU MD1 6.000 . 6.000 3.310 3.150 3.615 . 0 0 "[ . 1 .]" 1
543 1 44 CYS H 1 69 PHE HB2 6.000 . 6.000 5.392 4.495 6.025 0.025 10 0 "[ . 1 .]" 1
544 1 49 VAL HA 1 51 VAL H 6.000 . 6.000 5.617 5.369 5.880 . 0 0 "[ . 1 .]" 1
545 1 70 VAL H 1 71 ALA MB 6.000 . 6.000 4.591 4.400 4.808 . 0 0 "[ . 1 .]" 1
546 1 31 VAL HB 1 84 GLU H 6.000 . 6.000 5.092 4.902 5.312 . 0 0 "[ . 1 .]" 1
547 1 31 VAL MG2 1 84 GLU H 6.000 . 6.000 4.757 4.591 4.863 . 0 0 "[ . 1 .]" 1
548 1 52 ALA MB 1 91 TYR H 6.000 . 6.000 4.203 4.109 4.364 . 0 0 "[ . 1 .]" 1
549 1 91 TYR HB3 1 93 VAL H 6.000 . 6.000 5.425 5.039 5.674 . 0 0 "[ . 1 .]" 1
550 1 94 VAL H 1 102 ASN HB2 6.000 . 6.000 5.815 5.220 6.004 0.004 10 0 "[ . 1 .]" 1
551 1 48 ILE MD 1 95 GLY H 6.000 . 6.000 4.537 2.756 5.065 . 0 0 "[ . 1 .]" 1
552 1 93 VAL HB 1 103 HIS H 6.000 . 6.000 5.766 4.936 6.018 0.018 8 0 "[ . 1 .]" 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 44
_Distance_constraint_stats_list.Viol_count 203
_Distance_constraint_stats_list.Viol_total 98.169
_Distance_constraint_stats_list.Viol_max 0.121
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 18 SER 0.390 0.040 15 0 "[ . 1 .]"
1 20 ALA 0.265 0.046 5 0 "[ . 1 .]"
1 31 VAL 0.120 0.051 12 0 "[ . 1 .]"
1 33 ILE 0.035 0.013 11 0 "[ . 1 .]"
1 34 GLU 0.265 0.046 5 0 "[ . 1 .]"
1 35 LEU 1.544 0.121 7 0 "[ . 1 .]"
1 36 SER 0.390 0.040 15 0 "[ . 1 .]"
1 37 TYR 1.287 0.103 5 0 "[ . 1 .]"
1 47 PRO 0.240 0.063 14 0 "[ . 1 .]"
1 49 VAL 0.134 0.030 3 0 "[ . 1 .]"
1 51 VAL 0.061 0.016 13 0 "[ . 1 .]"
1 52 ALA 0.698 0.074 8 0 "[ . 1 .]"
1 62 ARG 0.723 0.085 11 0 "[ . 1 .]"
1 64 VAL 0.090 0.024 13 0 "[ . 1 .]"
1 77 SER 1.287 0.103 5 0 "[ . 1 .]"
1 79 VAL 1.544 0.121 7 0 "[ . 1 .]"
1 81 VAL 0.035 0.013 11 0 "[ . 1 .]"
1 82 GLU 0.090 0.024 13 0 "[ . 1 .]"
1 83 MET 0.120 0.051 12 0 "[ . 1 .]"
1 84 GLU 0.723 0.085 11 0 "[ . 1 .]"
1 90 SER 0.114 0.025 11 0 "[ . 1 .]"
1 91 TYR 0.758 0.074 8 0 "[ . 1 .]"
1 92 ILE 0.651 0.074 9 0 "[ . 1 .]"
1 93 VAL 0.134 0.030 3 0 "[ . 1 .]"
1 94 VAL 0.194 0.036 6 0 "[ . 1 .]"
1 95 GLY 0.240 0.063 14 0 "[ . 1 .]"
1 101 ILE 0.194 0.036 6 0 "[ . 1 .]"
1 103 HIS 0.651 0.074 9 0 "[ . 1 .]"
1 105 TRP 0.114 0.025 11 0 "[ . 1 .]"
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 35 LEU H 1 79 VAL O 1.800 . 2.300 2.297 1.992 2.336 0.036 6 0 "[ . 1 .]" 2
2 1 62 ARG O 1 84 GLU H 1.800 . 2.300 1.964 1.829 2.137 . 0 0 "[ . 1 .]" 2
3 1 90 SER H 1 105 TRP O 1.800 . 2.300 2.229 2.013 2.322 0.022 12 0 "[ . 1 .]" 2
4 1 52 ALA O 1 91 TYR H 1.800 . 2.300 2.346 2.320 2.374 0.074 8 0 "[ . 1 .]" 2
5 1 18 SER H 1 36 SER O 1.800 . 2.300 2.320 2.266 2.340 0.040 15 0 "[ . 1 .]" 2
6 1 18 SER N 1 36 SER O 2.800 2.800 3.300 2.907 2.810 2.970 . 0 0 "[ . 1 .]" 2
7 1 20 ALA H 1 34 GLU O 1.800 . 2.300 1.953 1.791 2.078 0.009 5 0 "[ . 1 .]" 2
8 1 20 ALA N 1 34 GLU O 2.800 2.800 3.300 2.786 2.754 2.838 0.046 5 0 "[ . 1 .]" 2
9 1 31 VAL H 1 83 MET O 1.800 . 2.300 2.074 1.874 2.302 0.002 14 0 "[ . 1 .]" 2
10 1 31 VAL N 1 83 MET O 2.800 2.800 3.300 2.913 2.749 3.125 0.051 12 0 "[ . 1 .]" 2
11 1 33 ILE H 1 81 VAL O 1.800 . 2.300 2.095 1.828 2.313 0.013 11 0 "[ . 1 .]" 2
12 1 33 ILE N 1 81 VAL O 2.800 2.800 3.300 3.020 2.795 3.242 0.005 2 0 "[ . 1 .]" 2
13 1 35 LEU N 1 79 VAL O 2.800 2.800 3.300 2.936 2.792 3.048 0.008 5 0 "[ . 1 .]" 2
14 1 18 SER O 1 36 SER H 1.800 . 2.300 2.069 1.926 2.309 0.009 11 0 "[ . 1 .]" 2
15 1 18 SER O 1 36 SER N 2.800 2.800 3.300 2.859 2.780 2.974 0.020 12 0 "[ . 1 .]" 2
16 1 37 TYR H 1 77 SER O 1.800 . 2.300 2.386 2.376 2.403 0.103 5 0 "[ . 1 .]" 2
17 1 37 TYR N 1 77 SER O 2.800 2.800 3.300 3.235 3.205 3.267 . 0 0 "[ . 1 .]" 2
18 1 49 VAL H 1 93 VAL O 1.800 . 2.300 2.137 1.936 2.309 0.009 9 0 "[ . 1 .]" 2
19 1 49 VAL N 1 93 VAL O 2.800 2.800 3.300 3.065 2.890 3.226 . 0 0 "[ . 1 .]" 2
20 1 51 VAL H 1 91 TYR O 1.800 . 2.300 2.258 2.054 2.316 0.016 13 0 "[ . 1 .]" 2
21 1 51 VAL N 1 91 TYR O 2.800 2.800 3.300 3.180 2.975 3.273 . 0 0 "[ . 1 .]" 2
22 1 64 VAL H 1 82 GLU O 1.800 . 2.300 2.180 1.895 2.324 0.024 13 0 "[ . 1 .]" 2
23 1 64 VAL N 1 82 GLU O 2.800 2.800 3.300 2.996 2.797 3.164 0.003 5 0 "[ . 1 .]" 2
24 1 35 LEU O 1 79 VAL H 1.800 . 2.300 2.038 1.960 2.127 . 0 0 "[ . 1 .]" 2
25 1 35 LEU O 1 79 VAL N 2.800 2.800 3.300 2.715 2.679 2.739 0.121 7 0 "[ . 1 .]" 2
26 1 31 VAL O 1 83 MET H 1.800 . 2.300 2.074 1.854 2.222 . 0 0 "[ . 1 .]" 2
27 1 31 VAL O 1 83 MET N 2.800 2.800 3.300 2.967 2.783 3.088 0.017 1 0 "[ . 1 .]" 2
28 1 62 ARG O 1 84 GLU N 2.800 2.800 3.300 2.752 2.715 2.792 0.085 11 0 "[ . 1 .]" 2
29 1 90 SER N 1 105 TRP O 2.800 2.800 3.300 3.117 2.960 3.244 . 0 0 "[ . 1 .]" 2
30 1 52 ALA O 1 91 TYR N 2.800 2.800 3.300 3.236 3.176 3.308 0.008 14 0 "[ . 1 .]" 2
31 1 92 ILE H 1 103 HIS O 1.800 . 2.300 2.295 2.117 2.331 0.031 9 0 "[ . 1 .]" 2
32 1 92 ILE N 1 103 HIS O 2.800 2.800 3.300 3.106 2.846 3.269 . 0 0 "[ . 1 .]" 2
33 1 49 VAL O 1 93 VAL H 1.800 . 2.300 2.265 2.066 2.330 0.030 3 0 "[ . 1 .]" 2
34 1 49 VAL O 1 93 VAL N 2.800 2.800 3.300 3.178 3.008 3.250 . 0 0 "[ . 1 .]" 2
35 1 94 VAL H 1 101 ILE O 1.800 . 2.300 2.016 1.889 2.268 . 0 0 "[ . 1 .]" 2
36 1 94 VAL N 1 101 ILE O 2.800 2.800 3.300 2.856 2.784 3.042 0.016 11 0 "[ . 1 .]" 2
37 1 47 PRO O 1 95 GLY H 1.800 . 2.300 2.295 2.044 2.363 0.063 14 0 "[ . 1 .]" 2
38 1 47 PRO O 1 95 GLY N 2.800 2.800 3.300 3.063 2.860 3.223 . 0 0 "[ . 1 .]" 2
39 1 94 VAL O 1 101 ILE H 1.800 . 2.300 2.276 1.966 2.336 0.036 6 0 "[ . 1 .]" 2
40 1 94 VAL O 1 101 ILE N 2.800 2.800 3.300 3.217 2.902 3.298 . 0 0 "[ . 1 .]" 2
41 1 92 ILE O 1 103 HIS H 1.800 . 2.300 1.846 1.790 1.977 0.010 12 0 "[ . 1 .]" 2
42 1 92 ILE O 1 103 HIS N 2.800 2.800 3.300 2.777 2.726 2.893 0.074 9 0 "[ . 1 .]" 2
43 1 90 SER O 1 105 TRP H 1.800 . 2.300 2.168 1.978 2.304 0.004 8 0 "[ . 1 .]" 2
44 1 90 SER O 1 105 TRP N 2.800 2.800 3.300 2.987 2.775 3.166 0.025 11 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, June 30, 2024 3:56:20 PM GMT (wattos1)