NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
533864 |
2l4h   |
17329 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4h
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 262
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 0.596
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0181
_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 31 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 32 SER 0.000 0.000 . 0 "[ . 1 ]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 39 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 42 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 68 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 70 SER 0.000 0.000 . 0 "[ . 1 ]"
1 71 SER 0.000 0.000 . 0 "[ . 1 ]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 81 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 83 SER 0.000 0.000 . 0 "[ . 1 ]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 88 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 93 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 96 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 97 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 98 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 100 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 101 SER 0.000 0.000 . 0 "[ . 1 ]"
1 102 THR 0.000 0.000 . 0 "[ . 1 ]"
1 103 SER 0.000 0.000 . 0 "[ . 1 ]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 108 SER 0.000 0.000 . 0 "[ . 1 ]"
1 109 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 113 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 114 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 115 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 116 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 117 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 119 SER 0.000 0.000 . 0 "[ . 1 ]"
1 120 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 122 SER 0.000 0.000 . 0 "[ . 1 ]"
1 124 THR 0.000 0.000 . 0 "[ . 1 ]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 128 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 129 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 130 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 131 SER 0.000 0.000 . 0 "[ . 1 ]"
1 132 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 133 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 135 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 136 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 137 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 138 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 139 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 140 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 141 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 143 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 144 GLY 0.054 0.049 10 0 "[ . 1 ]"
1 145 THR 0.054 0.049 10 0 "[ . 1 ]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 147 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 149 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 150 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 151 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 152 SER 0.000 0.000 . 0 "[ . 1 ]"
1 153 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 154 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 155 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 156 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 157 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 159 THR 0.000 0.000 . 0 "[ . 1 ]"
1 167 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 168 SER 0.000 0.000 . 0 "[ . 1 ]"
1 171 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 172 MET 0.000 0.000 . 0 "[ . 1 ]"
1 173 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 174 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 175 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 176 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 177 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 178 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 179 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 180 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 181 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 182 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 183 SER 0.000 0.000 . 0 "[ . 1 ]"
1 184 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 185 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 186 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 187 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 188 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 189 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 190 THR 0.000 0.000 . 0 "[ . 1 ]"
1 191 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 192 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 193 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 194 SER 0.000 0.000 . 0 "[ . 1 ]"
1 195 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 196 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 197 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 198 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 199 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 200 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 203 SER 0.000 0.000 . 0 "[ . 1 ]"
1 207 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 209 SER 0.000 0.000 . 0 "[ . 1 ]"
1 210 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 212 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 213 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 214 LEU 0.000 0.000 . 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 31 LEU MD1 1 36 LEU MD1 8.010 . 8.020 3.879 2.390 4.675 . 0 0 "[ . 1 ]" 1
2 1 35 LEU MD1 1 129 ILE MD 8.010 . 8.020 4.942 4.467 5.330 . 0 0 "[ . 1 ]" 1
3 1 35 LEU MD1 1 36 LEU MD1 8.010 . 8.020 5.973 5.881 6.063 . 0 0 "[ . 1 ]" 1
4 1 45 LEU MD2 1 118 LEU MD2 8.010 . 8.020 5.253 4.740 5.721 . 0 0 "[ . 1 ]" 1
5 1 45 LEU MD1 1 115 LEU MD2 8.010 . 8.020 3.834 3.565 4.313 . 0 0 "[ . 1 ]" 1
6 1 45 LEU MD1 1 115 LEU MD1 8.010 . 8.020 3.033 2.598 4.167 . 0 0 "[ . 1 ]" 1
7 1 45 LEU MD1 1 120 VAL MG2 8.010 . 8.020 5.311 4.781 5.741 . 0 0 "[ . 1 ]" 1
8 1 45 LEU MD1 1 118 LEU MD1 8.010 . 8.020 5.107 3.582 5.750 . 0 0 "[ . 1 ]" 1
9 1 45 LEU MD2 1 118 LEU MD1 8.010 . 8.020 5.690 4.914 6.548 . 0 0 "[ . 1 ]" 1
10 1 45 LEU MD2 1 50 ILE MD 8.010 . 8.020 4.108 3.900 4.787 . 0 0 "[ . 1 ]" 1
11 1 50 ILE MD 1 115 LEU MD2 8.010 . 8.020 4.049 3.718 4.602 . 0 0 "[ . 1 ]" 1
12 1 50 ILE MD 1 115 LEU MD1 6.010 . 6.020 3.814 3.433 4.276 . 0 0 "[ . 1 ]" 1
13 1 50 ILE MD 1 51 LEU MD1 6.010 . 6.020 3.717 3.575 3.971 . 0 0 "[ . 1 ]" 1
14 1 51 LEU MD2 1 52 LEU MD1 6.010 . 6.020 3.787 3.663 3.909 . 0 0 "[ . 1 ]" 1
15 1 50 ILE MD 1 51 LEU MD2 6.010 . 6.020 4.623 4.511 4.749 . 0 0 "[ . 1 ]" 1
16 1 50 ILE MD 1 52 LEU MD1 8.010 . 8.020 6.267 6.206 6.360 . 0 0 "[ . 1 ]" 1
17 1 51 LEU MD2 1 52 LEU MD2 6.010 . 6.020 2.550 2.220 3.296 . 0 0 "[ . 1 ]" 1
18 1 60 LEU MD2 1 84 LEU MD2 . . 6.020 4.716 4.040 5.072 . 0 0 "[ . 1 ]" 1
19 1 60 LEU MD2 1 76 VAL MG1 8.010 . 8.020 3.657 3.452 3.921 . 0 0 "[ . 1 ]" 1
20 1 60 LEU MD1 1 109 LEU MD1 8.010 . 8.020 6.437 6.329 6.628 . 0 0 "[ . 1 ]" 1
21 1 60 LEU MD1 1 61 LEU MD2 8.010 . 8.020 4.479 3.946 4.931 . 0 0 "[ . 1 ]" 1
22 1 60 LEU MD1 1 76 VAL MG1 8.010 . 8.020 4.697 3.918 5.249 . 0 0 "[ . 1 ]" 1
23 1 60 LEU MD1 1 87 LEU MD1 8.010 . 8.020 5.911 5.604 6.194 . 0 0 "[ . 1 ]" 1
24 1 60 LEU MD2 1 61 LEU MD1 6.010 . 6.020 3.782 3.522 4.170 . 0 0 "[ . 1 ]" 1
25 1 61 LEU MD1 1 84 LEU MD1 8.010 . 8.020 6.242 5.904 6.791 . 0 0 "[ . 1 ]" 1
26 1 61 LEU MD1 1 76 VAL MG2 8.010 . 8.020 3.292 3.061 3.739 . 0 0 "[ . 1 ]" 1
27 1 60 LEU MD1 1 61 LEU MD1 8.010 . 8.020 5.285 4.811 5.542 . 0 0 "[ . 1 ]" 1
28 1 61 LEU MD1 1 68 VAL MG2 8.010 . 8.020 3.964 3.093 4.366 . 0 0 "[ . 1 ]" 1
29 1 61 LEU MD2 1 76 VAL MG2 6.010 . 6.020 2.859 2.156 3.396 . 0 0 "[ . 1 ]" 1
30 1 61 LEU MD1 1 68 VAL MG1 6.010 . 6.020 4.617 4.040 4.906 . 0 0 "[ . 1 ]" 1
31 1 51 LEU MD2 1 68 VAL MG2 8.010 . 8.020 6.391 6.154 6.681 . 0 0 "[ . 1 ]" 1
32 1 68 VAL MG1 1 72 LEU MD2 6.010 . 6.020 4.492 4.220 4.664 . 0 0 "[ . 1 ]" 1
33 1 68 VAL MG1 1 72 LEU MD1 6.010 . 6.020 3.235 2.617 3.692 . 0 0 "[ . 1 ]" 1
34 1 72 LEU MD1 1 115 LEU MD2 8.010 . 8.020 5.164 4.234 5.607 . 0 0 "[ . 1 ]" 1
35 1 76 VAL MG2 1 109 LEU MD2 8.010 . 8.020 3.644 3.326 4.116 . 0 0 "[ . 1 ]" 1
36 1 76 VAL MG1 1 81 ILE MD . . 6.020 2.226 1.932 2.767 . 0 0 "[ . 1 ]" 1
37 1 61 LEU MD1 1 76 VAL MG1 8.010 . 8.020 4.041 3.020 4.973 . 0 0 "[ . 1 ]" 1
38 1 76 VAL MG1 1 84 LEU MD1 8.010 . 8.020 4.112 3.705 4.569 . 0 0 "[ . 1 ]" 1
39 1 76 VAL MG2 1 84 LEU MD1 8.010 . 8.020 5.327 4.830 5.874 . 0 0 "[ . 1 ]" 1
40 1 76 VAL MG2 1 81 ILE MD 6.010 . 6.020 3.867 3.675 4.214 . 0 0 "[ . 1 ]" 1
41 1 81 ILE MD 1 109 LEU MD2 8.010 . 8.020 3.476 3.354 3.755 . 0 0 "[ . 1 ]" 1
42 1 81 ILE MD 1 84 LEU MD1 8.010 . 8.020 2.468 2.279 2.666 . 0 0 "[ . 1 ]" 1
43 1 60 LEU MD1 1 81 ILE MD 6.010 . 6.020 4.712 4.310 4.960 . 0 0 "[ . 1 ]" 1
44 1 81 ILE MD 1 82 LEU MD1 8.010 . 8.020 6.181 6.111 6.232 . 0 0 "[ . 1 ]" 1
45 1 81 ILE MD 1 82 LEU MD2 8.010 . 8.020 4.649 4.565 4.734 . 0 0 "[ . 1 ]" 1
46 1 82 LEU MD2 1 87 LEU MD1 8.010 . 8.020 5.014 4.599 5.239 . 0 0 "[ . 1 ]" 1
47 1 82 LEU MD2 1 96 ILE MD 8.010 . 8.020 6.371 6.000 6.579 . 0 0 "[ . 1 ]" 1
48 1 84 LEU MD1 1 109 LEU MD1 8.010 . 8.020 3.490 3.243 3.873 . 0 0 "[ . 1 ]" 1
49 1 84 LEU MD1 1 87 LEU MD1 8.010 . 8.020 2.126 1.945 2.343 . 0 0 "[ . 1 ]" 1
50 1 84 LEU MD2 1 109 LEU MD1 8.010 . 8.020 5.471 5.161 5.897 . 0 0 "[ . 1 ]" 1
51 1 84 LEU MD1 1 87 LEU MD2 8.010 . 8.020 3.844 3.524 3.999 . 0 0 "[ . 1 ]" 1
52 1 87 LEU MD2 1 109 LEU MD1 8.010 . 8.020 4.576 4.153 5.008 . 0 0 "[ . 1 ]" 1
53 1 87 LEU MD2 1 117 LEU MD1 8.010 . 8.020 2.449 2.162 2.872 . 0 0 "[ . 1 ]" 1
54 1 96 ILE MD 1 117 LEU MD1 8.010 . 8.020 3.974 3.850 4.103 . 0 0 "[ . 1 ]" 1
55 1 87 LEU MD2 1 96 ILE MD 6.010 . 6.020 2.376 2.203 2.789 . 0 0 "[ . 1 ]" 1
56 1 87 LEU MD1 1 96 ILE MD 6.010 . 6.020 3.484 3.044 3.805 . 0 0 "[ . 1 ]" 1
57 1 99 VAL MG1 1 137 ILE MD 8.010 . 8.020 4.351 4.227 4.484 . 0 0 "[ . 1 ]" 1
58 1 109 LEU MD2 1 117 LEU MD2 8.010 . 8.020 5.104 4.476 5.330 . 0 0 "[ . 1 ]" 1
59 1 81 ILE MD 1 109 LEU MD1 . . 6.020 1.897 1.856 1.981 . 0 0 "[ . 1 ]" 1
60 1 87 LEU MD1 1 109 LEU MD1 8.010 . 8.020 3.076 2.845 3.599 . 0 0 "[ . 1 ]" 1
61 1 109 LEU MD1 1 117 LEU MD1 8.010 . 8.020 2.742 2.106 4.152 . 0 0 "[ . 1 ]" 1
62 1 115 LEU MD1 1 118 LEU MD1 8.010 . 8.020 5.637 5.518 5.878 . 0 0 "[ . 1 ]" 1
63 1 72 LEU MD2 1 115 LEU MD1 8.010 . 8.020 4.607 3.685 5.195 . 0 0 "[ . 1 ]" 1
64 1 115 LEU MD2 1 118 LEU MD1 6.010 . 6.020 3.797 3.513 4.024 . 0 0 "[ . 1 ]" 1
65 1 81 ILE MD 1 117 LEU MD1 8.010 . 8.020 4.491 4.115 5.061 . 0 0 "[ . 1 ]" 1
66 1 109 LEU MD2 1 117 LEU MD1 8.010 . 8.020 3.571 3.014 4.799 . 0 0 "[ . 1 ]" 1
67 1 117 LEU MD2 1 118 LEU MD1 8.010 . 8.020 5.537 5.034 6.351 . 0 0 "[ . 1 ]" 1
68 1 87 LEU MD2 1 117 LEU MD2 8.010 . 8.020 2.520 2.090 3.581 . 0 0 "[ . 1 ]" 1
69 1 117 LEU MD1 1 118 LEU MD2 . . 6.020 4.459 3.774 4.921 . 0 0 "[ . 1 ]" 1
70 1 52 LEU MD1 1 118 LEU MD1 8.010 . 8.020 5.631 5.244 5.913 . 0 0 "[ . 1 ]" 1
71 1 87 LEU MD1 1 118 LEU MD2 8.010 . 8.020 6.243 5.638 6.749 . 0 0 "[ . 1 ]" 1
72 1 84 LEU MD1 1 118 LEU MD1 8.010 . 8.020 6.107 5.457 6.592 . 0 0 "[ . 1 ]" 1
73 1 117 LEU MD2 1 118 LEU MD2 8.010 . 8.020 4.494 3.906 5.054 . 0 0 "[ . 1 ]" 1
74 1 35 LEU MD2 1 129 ILE MD 8.010 . 8.020 5.638 4.612 6.324 . 0 0 "[ . 1 ]" 1
75 1 120 VAL MG2 1 129 ILE MD 8.010 . 8.020 3.907 3.767 4.053 . 0 0 "[ . 1 ]" 1
76 1 42 LEU MD2 1 129 ILE MD 8.010 . 8.020 6.277 5.625 6.542 . 0 0 "[ . 1 ]" 1
77 1 120 VAL MG1 1 137 ILE MD 8.010 . 8.020 6.521 6.341 6.579 . 0 0 "[ . 1 ]" 1
78 1 137 ILE MD 1 213 VAL MG1 8.010 . 8.020 2.537 2.175 2.991 . 0 0 "[ . 1 ]" 1
79 1 99 VAL MG2 1 137 ILE MD 6.010 . 6.020 3.800 3.724 3.924 . 0 0 "[ . 1 ]" 1
80 1 146 LEU MD2 1 151 LEU MD1 8.010 . 8.020 3.145 3.068 3.205 . 0 0 "[ . 1 ]" 1
81 1 146 LEU MD1 1 154 LEU MD1 8.010 . 8.020 3.800 3.645 3.919 . 0 0 "[ . 1 ]" 1
82 1 146 LEU MD1 1 151 LEU MD2 8.010 . 8.020 5.854 5.777 5.937 . 0 0 "[ . 1 ]" 1
83 1 151 LEU MD2 1 154 LEU MD1 8.010 . 8.020 5.274 5.202 5.328 . 0 0 "[ . 1 ]" 1
84 1 151 LEU MD2 1 154 LEU MD2 . . 6.020 4.217 4.153 4.258 . 0 0 "[ . 1 ]" 1
85 1 151 LEU MD2 1 199 VAL MG2 8.010 . 8.020 3.531 3.458 3.659 . 0 0 "[ . 1 ]" 1
86 1 146 LEU MD1 1 151 LEU MD1 8.010 . 8.020 4.156 4.099 4.206 . 0 0 "[ . 1 ]" 1
87 1 151 LEU MD1 1 155 VAL MG2 8.010 . 8.020 2.809 2.640 2.967 . 0 0 "[ . 1 ]" 1
88 1 154 LEU MD2 1 200 ILE MD 8.010 . 8.020 3.595 3.422 3.739 . 0 0 "[ . 1 ]" 1
89 1 154 LEU MD1 1 199 VAL MG2 8.010 . 8.020 5.062 4.982 5.157 . 0 0 "[ . 1 ]" 1
90 1 154 LEU MD2 1 158 LEU MD2 8.010 . 8.020 2.867 2.678 2.989 . 0 0 "[ . 1 ]" 1
91 1 146 LEU MD1 1 154 LEU MD2 8.010 . 8.020 5.409 5.278 5.563 . 0 0 "[ . 1 ]" 1
92 1 154 LEU MD1 1 158 LEU MD1 8.010 . 8.020 3.822 3.745 3.913 . 0 0 "[ . 1 ]" 1
93 1 154 LEU MD2 1 155 VAL MG2 6.010 . 6.020 2.376 2.272 2.555 . 0 0 "[ . 1 ]" 1
94 1 154 LEU MD2 1 155 VAL MG1 6.010 . 6.020 3.953 3.923 4.024 . 0 0 "[ . 1 ]" 1
95 1 154 LEU MD2 1 158 LEU MD1 6.010 . 6.020 3.467 3.373 3.558 . 0 0 "[ . 1 ]" 1
96 1 154 LEU MD1 1 155 VAL MG2 8.010 . 8.020 4.508 4.446 4.612 . 0 0 "[ . 1 ]" 1
97 1 175 LEU MD1 1 179 ILE MD 8.010 . 8.020 3.450 3.400 3.515 . 0 0 "[ . 1 ]" 1
98 1 175 LEU MD2 1 179 ILE MD 8.010 . 8.020 1.974 1.966 1.981 . 0 0 "[ . 1 ]" 1
99 1 175 LEU MD2 1 176 ILE MD . . 6.020 3.991 3.978 4.009 . 0 0 "[ . 1 ]" 1
100 1 151 LEU MD2 1 175 LEU MD1 6.010 . 6.020 5.038 4.970 5.083 . 0 0 "[ . 1 ]" 1
101 1 155 VAL MG2 1 175 LEU MD2 6.010 . 6.020 3.196 3.067 3.273 . 0 0 "[ . 1 ]" 1
102 1 155 VAL MG2 1 175 LEU MD1 6.010 . 6.020 3.762 3.709 3.839 . 0 0 "[ . 1 ]" 1
103 1 176 ILE MD 1 180 LEU MD2 6.010 . 6.020 2.569 2.428 2.669 . 0 0 "[ . 1 ]" 1
104 1 179 ILE MD 1 199 VAL MG2 8.010 . 8.020 1.920 1.890 2.002 . 0 0 "[ . 1 ]" 1
105 1 154 LEU MD2 1 179 ILE MD 8.010 . 8.020 5.862 5.827 5.911 . 0 0 "[ . 1 ]" 1
106 1 179 ILE MD 1 200 ILE MD 8.010 . 8.020 5.396 5.318 5.595 . 0 0 "[ . 1 ]" 1
107 1 179 ILE MD 1 180 LEU MD2 6.010 . 6.020 5.164 5.138 5.180 . 0 0 "[ . 1 ]" 1
108 1 179 ILE MD 1 180 LEU MD1 6.010 . 6.020 4.987 4.973 5.002 . 0 0 "[ . 1 ]" 1
109 1 176 ILE MD 1 180 LEU MD1 6.010 . 6.020 2.016 2.007 2.022 . 0 0 "[ . 1 ]" 1
110 1 191 ILE MD 1 193 LEU MD2 8.010 . 8.020 4.472 4.388 4.536 . 0 0 "[ . 1 ]" 1
111 1 191 ILE MD 1 199 VAL MG1 8.010 . 8.020 4.478 4.363 4.552 . 0 0 "[ . 1 ]" 1
112 1 191 ILE MD 1 199 VAL MG2 8.010 . 8.020 4.081 4.037 4.136 . 0 0 "[ . 1 ]" 1
113 1 191 ILE MD 1 193 LEU MD1 6.010 . 6.020 5.120 5.050 5.167 . 0 0 "[ . 1 ]" 1
114 1 175 LEU MD2 1 199 VAL MG1 8.010 . 8.020 2.637 2.483 2.963 . 0 0 "[ . 1 ]" 1
115 1 158 LEU MD1 1 199 VAL MG1 8.010 . 8.020 5.653 5.464 5.817 . 0 0 "[ . 1 ]" 1
116 1 154 LEU MD2 1 199 VAL MG1 8.010 . 8.020 2.613 2.529 2.719 . 0 0 "[ . 1 ]" 1
117 1 151 LEU MD2 1 199 VAL MG1 6.010 . 6.020 3.871 3.825 3.940 . 0 0 "[ . 1 ]" 1
118 1 151 LEU MD2 1 200 ILE MD 8.010 . 8.020 6.408 6.372 6.442 . 0 0 "[ . 1 ]" 1
119 1 154 LEU MD1 1 200 ILE MD 8.010 . 8.020 3.433 3.331 3.629 . 0 0 "[ . 1 ]" 1
120 1 199 VAL MG1 1 200 ILE MD 8.010 . 8.020 2.242 2.222 2.262 . 0 0 "[ . 1 ]" 1
121 1 199 VAL MG2 1 200 ILE MD 8.010 . 8.020 3.823 3.807 3.835 . 0 0 "[ . 1 ]" 1
122 1 212 ILE MD 1 213 VAL MG2 8.010 . 8.020 5.077 4.953 5.398 . 0 0 "[ . 1 ]" 1
123 1 212 ILE MD 1 214 LEU MD1 6.010 . 6.020 4.917 4.432 5.218 . 0 0 "[ . 1 ]" 1
124 1 213 VAL MG2 1 214 LEU MD1 8.010 . 8.020 5.989 5.815 6.179 . 0 0 "[ . 1 ]" 1
125 1 31 LEU MD1 1 32 SER H 6.010 . 6.210 2.889 2.535 3.596 . 0 0 "[ . 1 ]" 1
126 1 34 GLU H 1 35 LEU H 6.010 . 6.210 2.814 2.796 2.831 . 0 0 "[ . 1 ]" 1
127 1 35 LEU H 1 36 LEU H . . 5.210 2.833 2.789 2.853 . 0 0 "[ . 1 ]" 1
128 1 36 LEU H 1 38 GLU H 6.010 . 6.210 4.672 4.581 4.765 . 0 0 "[ . 1 ]" 1
129 1 36 LEU MD1 1 37 ALA H 6.010 . 6.210 4.690 4.529 4.828 . 0 0 "[ . 1 ]" 1
130 1 38 GLU H 1 39 TYR H 6.010 . 6.210 2.690 2.648 2.734 . 0 0 "[ . 1 ]" 1
131 1 36 LEU MD1 1 39 TYR H 5.010 . 5.210 4.496 4.039 4.855 . 0 0 "[ . 1 ]" 1
132 1 40 GLN H 1 41 ASP H 6.010 . 6.210 2.929 2.900 2.993 . 0 0 "[ . 1 ]" 1
133 1 44 PHE H 1 45 LEU H 6.010 . 6.210 2.596 2.088 2.872 . 0 0 "[ . 1 ]" 1
134 1 45 LEU MD2 1 47 LYS H 6.010 . 6.210 4.252 3.992 5.546 . 0 0 "[ . 1 ]" 1
135 1 48 GLN H 1 49 GLU H 6.010 . 6.210 2.526 2.494 2.551 . 0 0 "[ . 1 ]" 1
136 1 49 GLU H 1 50 ILE H 5.010 . 5.210 2.651 2.568 2.744 . 0 0 "[ . 1 ]" 1
137 1 45 LEU MD1 1 50 ILE H 6.010 . 6.210 5.021 3.932 5.733 . 0 0 "[ . 1 ]" 1
138 1 50 ILE H 1 52 LEU MD1 6.010 . 6.210 5.349 5.185 5.565 . 0 0 "[ . 1 ]" 1
139 1 51 LEU H 1 51 LEU MD1 5.010 . 5.210 4.253 4.216 4.285 . 0 0 "[ . 1 ]" 1
140 1 52 LEU H 1 53 ALA H 6.010 . 6.210 2.872 2.800 3.083 . 0 0 "[ . 1 ]" 1
141 1 52 LEU H 1 52 LEU MD1 . . 5.210 3.271 3.147 3.330 . 0 0 "[ . 1 ]" 1
142 1 53 ALA H 1 54 HIS H 5.010 . 5.210 2.716 2.629 2.805 . 0 0 "[ . 1 ]" 1
143 1 52 LEU MD2 1 53 ALA H 6.010 . 6.210 4.705 4.608 4.759 . 0 0 "[ . 1 ]" 1
144 1 54 HIS H 1 55 ARG H 5.010 . 5.210 2.546 2.507 2.610 . 0 0 "[ . 1 ]" 1
145 1 51 LEU MD2 1 54 HIS H 6.010 . 6.210 4.756 4.399 4.931 . 0 0 "[ . 1 ]" 1
146 1 52 LEU MD2 1 55 ARG H 6.010 . 6.210 4.988 4.826 5.117 . 0 0 "[ . 1 ]" 1
147 1 55 ARG H 1 56 ARG H 6.010 . 6.210 2.861 2.720 2.924 . 0 0 "[ . 1 ]" 1
148 1 56 ARG H 1 57 PHE H 6.010 . 6.210 2.739 2.491 2.863 . 0 0 "[ . 1 ]" 1
149 1 52 LEU MD2 1 56 ARG H 6.010 . 6.210 5.388 4.950 5.656 . 0 0 "[ . 1 ]" 1
150 1 57 PHE H 1 59 GLU H 6.010 . 6.210 4.046 3.914 4.179 . 0 0 "[ . 1 ]" 1
151 1 57 PHE H 1 58 CYS H 5.010 . 5.210 2.533 2.265 2.756 . 0 0 "[ . 1 ]" 1
152 1 58 CYS H 1 59 GLU H 6.010 . 6.210 2.722 2.656 2.753 . 0 0 "[ . 1 ]" 1
153 1 60 LEU H 1 61 LEU MD1 6.010 . 6.210 4.911 4.633 5.197 . 0 0 "[ . 1 ]" 1
154 1 60 LEU MD1 1 61 LEU H 6.010 . 6.210 4.706 4.294 4.857 . 0 0 "[ . 1 ]" 1
155 1 65 GLN H 1 66 ARG H 6.010 . 6.210 1.990 1.974 2.022 . 0 0 "[ . 1 ]" 1
156 1 68 VAL MG1 1 69 GLU H 6.010 . 6.210 3.908 3.776 4.054 . 0 0 "[ . 1 ]" 1
157 1 70 SER H 1 71 SER H 6.010 . 6.210 2.499 2.115 2.611 . 0 0 "[ . 1 ]" 1
158 1 68 VAL MG1 1 70 SER H 6.010 . 6.210 5.248 4.983 5.439 . 0 0 "[ . 1 ]" 1
159 1 78 PHE H 1 79 GLU H 6.010 . 6.210 2.712 2.392 2.813 . 0 0 "[ . 1 ]" 1
160 1 76 VAL MG1 1 78 PHE H 6.010 . 6.210 5.348 5.215 5.617 . 0 0 "[ . 1 ]" 1
161 1 79 GLU H 1 80 GLN H 6.010 . 6.210 2.992 2.957 3.020 . 0 0 "[ . 1 ]" 1
162 1 80 GLN H 1 81 ILE MD 6.010 . 6.210 4.422 4.278 4.754 . 0 0 "[ . 1 ]" 1
163 1 81 ILE H 1 82 LEU H 5.010 . 5.210 2.624 2.595 2.673 . 0 0 "[ . 1 ]" 1
164 1 81 ILE H 1 82 LEU MD1 6.010 . 6.210 5.804 5.778 5.831 . 0 0 "[ . 1 ]" 1
165 1 80 GLN H 1 82 LEU H 5.010 . 5.210 4.336 4.253 4.407 . 0 0 "[ . 1 ]" 1
166 1 82 LEU H 1 83 SER H 6.010 . 6.210 2.737 2.634 2.794 . 0 0 "[ . 1 ]" 1
167 1 83 SER H 1 84 LEU H 5.010 . 5.210 2.242 2.181 2.382 . 0 0 "[ . 1 ]" 1
168 1 82 LEU MD1 1 84 LEU H 6.010 . 6.210 5.487 5.373 5.601 . 0 0 "[ . 1 ]" 1
169 1 86 GLU H 1 87 LEU H 6.010 . 6.210 2.883 2.726 3.001 . 0 0 "[ . 1 ]" 1
170 1 86 GLU H 1 87 LEU MD1 6.010 . 6.210 5.417 5.125 5.568 . 0 0 "[ . 1 ]" 1
171 1 87 LEU H 1 88 LYS H 5.010 . 5.210 2.376 1.920 2.527 . 0 0 "[ . 1 ]" 1
172 1 92 PHE H 1 93 LYS H . . 5.210 3.110 2.967 3.421 . 0 0 "[ . 1 ]" 1
173 1 93 LYS H 1 96 ILE MD 6.010 . 6.210 3.797 3.534 4.385 . 0 0 "[ . 1 ]" 1
174 1 94 GLU H 1 96 ILE MD 6.010 . 6.210 5.215 4.914 5.731 . 0 0 "[ . 1 ]" 1
175 1 95 ARG H 1 96 ILE H 5.010 . 5.210 2.656 2.601 2.790 . 0 0 "[ . 1 ]" 1
176 1 96 ILE MD 1 97 CYS H 6.010 . 6.210 4.414 4.311 4.632 . 0 0 "[ . 1 ]" 1
177 1 98 ARG H 1 99 VAL H 6.010 . 6.210 2.755 2.721 2.801 . 0 0 "[ . 1 ]" 1
178 1 99 VAL H 1 100 PHE H 6.010 . 6.210 2.628 2.591 2.717 . 0 0 "[ . 1 ]" 1
179 1 99 VAL MG2 1 100 PHE H 6.010 . 6.210 3.943 3.896 4.034 . 0 0 "[ . 1 ]" 1
180 1 99 VAL MG1 1 100 PHE H 6.010 . 6.210 3.438 3.385 3.487 . 0 0 "[ . 1 ]" 1
181 1 99 VAL H 1 101 SER H 6.010 . 6.210 3.823 3.746 4.077 . 0 0 "[ . 1 ]" 1
182 1 101 SER H 1 109 LEU MD2 6.010 . 6.210 5.684 5.292 5.812 . 0 0 "[ . 1 ]" 1
183 1 102 THR H 1 103 SER H 6.010 . 6.210 2.995 2.805 3.129 . 0 0 "[ . 1 ]" 1
184 1 107 ASP H 1 108 SER H 6.010 . 6.210 2.145 2.090 2.270 . 0 0 "[ . 1 ]" 1
185 1 76 VAL MG2 1 109 LEU H 6.010 . 6.210 4.852 4.532 5.114 . 0 0 "[ . 1 ]" 1
186 1 111 PHE H 1 112 GLU H 6.010 . 6.210 2.923 2.738 3.076 . 0 0 "[ . 1 ]" 1
187 1 112 GLU H 1 113 ASP H 5.010 . 5.210 2.963 2.833 3.035 . 0 0 "[ . 1 ]" 1
188 1 114 PHE H 1 116 ASP H 6.010 . 6.210 4.361 4.225 4.567 . 0 0 "[ . 1 ]" 1
189 1 115 LEU H 1 116 ASP H 6.010 . 6.210 2.773 2.639 2.959 . 0 0 "[ . 1 ]" 1
190 1 116 ASP H 1 117 LEU H 6.010 . 6.210 2.525 2.436 2.640 . 0 0 "[ . 1 ]" 1
191 1 115 LEU MD2 1 118 LEU H 6.010 . 6.210 5.204 5.077 5.425 . 0 0 "[ . 1 ]" 1
192 1 118 LEU H 1 119 SER H 6.010 . 6.210 2.696 2.596 2.742 . 0 0 "[ . 1 ]" 1
193 1 45 LEU MD1 1 119 SER H 6.010 . 6.210 5.031 4.407 5.448 . 0 0 "[ . 1 ]" 1
194 1 117 LEU MD1 1 119 SER H 6.010 . 6.210 5.287 4.099 5.755 . 0 0 "[ . 1 ]" 1
195 1 122 SER H 1 125 ALA H 6.010 . 6.210 5.183 5.058 5.294 . 0 0 "[ . 1 ]" 1
196 1 120 VAL MG1 1 122 SER H 6.010 . 6.210 4.402 4.295 4.498 . 0 0 "[ . 1 ]" 1
197 1 124 THR H 1 125 ALA H 6.010 . 6.210 2.457 2.403 2.501 . 0 0 "[ . 1 ]" 1
198 1 128 ASP H 1 129 ILE H 6.010 . 6.210 2.913 2.875 2.936 . 0 0 "[ . 1 ]" 1
199 1 130 LYS H 1 131 SER H 6.010 . 6.210 2.725 2.687 2.762 . 0 0 "[ . 1 ]" 1
200 1 129 ILE MD 1 130 LYS H 6.010 . 6.210 4.447 4.377 4.502 . 0 0 "[ . 1 ]" 1
201 1 131 SER H 1 132 HIS H 6.010 . 6.210 2.782 2.715 2.878 . 0 0 "[ . 1 ]" 1
202 1 133 TYR H 1 134 ALA H 6.010 . 6.210 2.649 2.594 2.757 . 0 0 "[ . 1 ]" 1
203 1 134 ALA H 1 135 PHE H 6.010 . 6.210 3.017 2.942 3.094 . 0 0 "[ . 1 ]" 1
204 1 135 PHE H 1 136 ARG H 5.010 . 5.210 3.168 3.121 3.194 . 0 0 "[ . 1 ]" 1
205 1 136 ARG H 1 137 ILE H 5.010 . 5.210 2.802 2.781 2.817 . 0 0 "[ . 1 ]" 1
206 1 137 ILE H 1 138 PHE H 6.010 . 6.210 2.609 2.576 2.670 . 0 0 "[ . 1 ]" 1
207 1 139 ASP H 1 146 LEU MD2 6.010 . 6.210 3.426 3.187 3.563 . 0 0 "[ . 1 ]" 1
208 1 139 ASP H 1 140 PHE H 6.010 . 6.210 3.967 3.889 4.067 . 0 0 "[ . 1 ]" 1
209 1 140 PHE H 1 141 ASP H 6.010 . 6.210 2.627 2.583 2.661 . 0 0 "[ . 1 ]" 1
210 1 144 GLY H 1 145 THR H 6.010 . 6.210 1.815 1.751 1.878 0.049 10 0 "[ . 1 ]" 1
211 1 143 ASP H 1 144 GLY H 6.010 . 6.210 2.748 2.603 2.848 . 0 0 "[ . 1 ]" 1
212 1 145 THR H 1 146 LEU MD1 6.010 . 6.210 3.583 3.556 3.640 . 0 0 "[ . 1 ]" 1
213 1 146 LEU H 1 191 ILE H 6.010 . 6.210 2.744 2.714 2.786 . 0 0 "[ . 1 ]" 1
214 1 147 ASN H 1 151 LEU MD1 6.010 . 6.210 5.855 5.830 5.885 . 0 0 "[ . 1 ]" 1
215 1 149 GLU H 1 150 ASP H 5.010 . 5.210 2.712 2.683 2.802 . 0 0 "[ . 1 ]" 1
216 1 150 ASP H 1 151 LEU H 6.010 . 6.210 2.790 2.764 2.816 . 0 0 "[ . 1 ]" 1
217 1 146 LEU MD1 1 151 LEU H 6.010 . 6.210 5.487 5.428 5.516 . 0 0 "[ . 1 ]" 1
218 1 151 LEU H 1 152 SER H 6.010 . 6.210 2.791 2.765 2.836 . 0 0 "[ . 1 ]" 1
219 1 152 SER H 1 153 ARG H 6.010 . 6.210 2.823 2.768 2.858 . 0 0 "[ . 1 ]" 1
220 1 151 LEU MD1 1 153 ARG H 6.010 . 6.210 5.297 5.278 5.326 . 0 0 "[ . 1 ]" 1
221 1 154 LEU H 1 155 VAL H 6.010 . 6.210 2.720 2.705 2.731 . 0 0 "[ . 1 ]" 1
222 1 155 VAL H 1 156 ASN H 5.010 . 5.210 2.732 2.720 2.744 . 0 0 "[ . 1 ]" 1
223 1 154 LEU MD2 1 155 VAL H 6.010 . 6.210 2.663 2.609 2.832 . 0 0 "[ . 1 ]" 1
224 1 155 VAL MG2 1 156 ASN H 6.010 . 6.210 3.839 3.813 3.856 . 0 0 "[ . 1 ]" 1
225 1 155 VAL MG2 1 157 CYS H 6.010 . 6.210 5.556 5.506 5.616 . 0 0 "[ . 1 ]" 1
226 1 155 VAL MG1 1 159 THR H 6.010 . 6.210 4.057 3.936 4.115 . 0 0 "[ . 1 ]" 1
227 1 158 LEU MD2 1 159 THR H 6.010 . 6.210 4.543 4.468 4.642 . 0 0 "[ . 1 ]" 1
228 1 167 LEU MD1 1 168 SER H 6.010 . 6.210 3.747 3.509 4.374 . 0 0 "[ . 1 ]" 1
229 1 171 GLU H 1 172 MET H 5.010 . 5.210 2.796 2.742 2.846 . 0 0 "[ . 1 ]" 1
230 1 172 MET H 1 173 LYS H 5.010 . 5.210 2.494 2.444 2.548 . 0 0 "[ . 1 ]" 1
231 1 174 GLN H 1 175 LEU H 5.010 . 5.210 2.643 2.608 2.689 . 0 0 "[ . 1 ]" 1
232 1 175 LEU H 1 176 ILE H . . 5.210 2.827 2.798 2.838 . 0 0 "[ . 1 ]" 1
233 1 176 ILE H 1 177 ASP H 5.010 . 5.210 2.649 2.598 2.684 . 0 0 "[ . 1 ]" 1
234 1 177 ASP H 1 178 ASN H 5.010 . 5.210 3.237 3.181 3.280 . 0 0 "[ . 1 ]" 1
235 1 177 ASP H 1 179 ILE MD 6.010 . 6.210 4.594 4.565 4.623 . 0 0 "[ . 1 ]" 1
236 1 181 GLU H 1 182 GLU H 5.010 . 5.210 2.495 2.425 2.535 . 0 0 "[ . 1 ]" 1
237 1 180 LEU H 1 181 GLU H 5.010 . 5.210 2.871 2.816 2.900 . 0 0 "[ . 1 ]" 1
238 1 182 GLU H 1 184 ASP H 5.010 . 5.210 3.864 3.773 3.890 . 0 0 "[ . 1 ]" 1
239 1 181 GLU H 1 183 SER H 6.010 . 6.210 4.805 4.760 4.817 . 0 0 "[ . 1 ]" 1
240 1 182 GLU H 1 183 SER H 6.010 . 6.210 2.744 2.707 2.795 . 0 0 "[ . 1 ]" 1
241 1 183 SER H 1 185 ILE MD 5.010 . 5.210 4.774 4.722 5.141 . 0 0 "[ . 1 ]" 1
242 1 184 ASP H 1 185 ILE MD 6.010 . 6.210 3.334 3.185 4.344 . 0 0 "[ . 1 ]" 1
243 1 184 ASP H 1 185 ILE H 6.010 . 6.210 4.333 4.278 4.507 . 0 0 "[ . 1 ]" 1
244 1 186 ASP H 1 187 ARG H 5.010 . 5.210 2.634 2.592 2.695 . 0 0 "[ . 1 ]" 1
245 1 187 ARG H 1 188 ASP H . . 5.210 2.840 2.782 2.878 . 0 0 "[ . 1 ]" 1
246 1 186 ASP H 1 188 ASP H 6.010 . 6.210 4.724 4.654 4.807 . 0 0 "[ . 1 ]" 1
247 1 188 ASP H 1 189 GLY H 6.010 . 6.210 2.607 2.585 2.626 . 0 0 "[ . 1 ]" 1
248 1 189 GLY H 1 190 THR H 5.010 . 5.210 2.297 2.262 2.315 . 0 0 "[ . 1 ]" 1
249 1 191 ILE MD 1 192 ASN H 6.010 . 6.210 3.237 3.172 3.320 . 0 0 "[ . 1 ]" 1
250 1 194 SER H 1 195 GLU H 5.010 . 5.210 2.978 2.916 3.055 . 0 0 "[ . 1 ]" 1
251 1 193 LEU MD1 1 194 SER H 6.010 . 6.210 4.552 4.501 4.618 . 0 0 "[ . 1 ]" 1
252 1 195 GLU H 1 196 PHE H 5.010 . 5.210 3.069 3.041 3.098 . 0 0 "[ . 1 ]" 1
253 1 196 PHE H 1 197 GLN H 6.010 . 6.210 1.993 1.935 2.019 . 0 0 "[ . 1 ]" 1
254 1 197 GLN H 1 198 HIS H . . 5.210 2.511 2.462 2.540 . 0 0 "[ . 1 ]" 1
255 1 197 GLN H 1 200 ILE MD 6.010 . 6.210 4.779 4.696 4.830 . 0 0 "[ . 1 ]" 1
256 1 198 HIS H 1 200 ILE MD 6.010 . 6.210 4.752 4.651 4.872 . 0 0 "[ . 1 ]" 1
257 1 198 HIS H 1 199 VAL MG2 6.010 . 6.210 4.094 4.053 4.149 . 0 0 "[ . 1 ]" 1
258 1 198 HIS H 1 199 VAL H 5.010 . 5.210 2.576 2.518 2.646 . 0 0 "[ . 1 ]" 1
259 1 199 VAL MG1 1 200 ILE H 6.010 . 6.210 3.371 3.136 3.606 . 0 0 "[ . 1 ]" 1
260 1 200 ILE MD 1 203 SER H 6.010 . 6.210 5.748 5.676 5.801 . 0 0 "[ . 1 ]" 1
261 1 207 ALA H 1 210 PHE H 6.010 . 6.210 4.738 4.663 4.846 . 0 0 "[ . 1 ]" 1
262 1 209 SER H 1 210 PHE H 6.010 . 6.210 2.568 2.517 2.638 . 0 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 14
_Distance_constraint_stats_list.Viol_count 149
_Distance_constraint_stats_list.Viol_total 427.462
_Distance_constraint_stats_list.Viol_max 1.450
_Distance_constraint_stats_list.Viol_rms 0.3559
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2523
_Distance_constraint_stats_list.Viol_average_violations_only 0.2608
_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
1 139 ASP 1.566 0.145 8 0 "[ . 1 ]"
1 141 ASP 2.591 1.450 4 1 "[ +. 1 ]"
1 143 ASP 1.065 0.128 8 0 "[ . 1 ]"
1 145 THR 0.639 0.094 2 0 "[ . 1 ]"
1 150 ASP 1.531 0.113 8 0 "[ . 1 ]"
1 184 ASP 6.904 1.017 5 7 "[* * + -**1*]"
1 186 ASP 17.638 1.269 11 10 "[****-* ***+]"
1 188 ASP 1.480 0.169 5 0 "[ . 1 ]"
1 190 THR 3.271 0.316 4 0 "[ . 1 ]"
1 195 GLU 2.175 0.186 10 0 "[ . 1 ]"
2 1 CA 7.393 1.450 4 1 "[ +. 1 ]"
3 1 CA 31.468 1.269 11 11 [****-*****+]
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 1 141 ASP OD2 2 1 CA CA 3.770 3.470 4.070 3.962 2.649 4.116 0.821 4 1 "[ +. 1 ]" 2
2 1 141 ASP OD1 2 1 CA CA 2.340 2.040 2.640 2.776 2.625 4.090 1.450 4 1 "[ +. 1 ]" 2
3 1 139 ASP OD1 2 1 CA CA 2.170 . 2.470 2.612 2.610 2.615 0.145 8 0 "[ . 1 ]" 2
4 1 145 THR O 2 1 CA CA 2.320 2.020 2.620 2.678 2.657 2.714 0.094 2 0 "[ . 1 ]" 2
5 1 143 ASP OD2 2 1 CA CA 2.340 2.040 2.640 2.737 2.714 2.768 0.128 8 0 "[ . 1 ]" 2
6 1 150 ASP OD2 2 1 CA CA 2.510 2.210 2.810 2.850 2.839 2.861 0.051 8 0 "[ . 1 ]" 2
7 1 150 ASP OD1 2 1 CA CA 3.960 3.660 4.260 4.359 4.342 4.373 0.113 8 0 "[ . 1 ]" 2
8 1 186 ASP OD2 3 1 CA CA 3.570 3.270 3.870 2.884 2.768 3.906 0.502 5 1 "[ + 1 ]" 2
9 1 186 ASP OD1 3 1 CA CA 2.350 2.050 2.650 3.806 2.786 3.919 1.269 11 10 "[*-**** ***+]" 2
10 1 184 ASP OD1 3 1 CA CA 2.270 . 2.570 3.198 2.655 3.587 1.017 5 7 "[* * + -**1*]" 2
11 1 190 THR O 3 1 CA CA 2.390 2.090 2.690 2.987 2.973 3.006 0.316 4 0 "[ . 1 ]" 2
12 1 188 ASP OD2 3 1 CA CA 2.270 . 2.570 2.705 2.657 2.739 0.169 5 0 "[ . 1 ]" 2
13 1 195 GLU OE2 3 1 CA CA 2.760 2.460 3.060 3.157 3.111 3.246 0.186 10 0 "[ . 1 ]" 2
14 1 195 GLU OE1 3 1 CA CA 2.420 2.120 2.720 2.807 2.636 2.862 0.142 6 0 "[ . 1 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 128
_Distance_constraint_stats_list.Viol_count 878
_Distance_constraint_stats_list.Viol_total 1384.453
_Distance_constraint_stats_list.Viol_max 0.833
_Distance_constraint_stats_list.Viol_rms 0.1343
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0894
_Distance_constraint_stats_list.Viol_average_violations_only 0.1433
_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 33 LYS 6.052 0.410 2 0 "[ . 1 ]"
1 34 GLU 15.778 0.833 6 11 [***-*+*****]
1 35 LEU 2.581 0.463 10 0 "[ . 1 ]"
1 36 LEU 2.504 0.193 4 0 "[ . 1 ]"
1 37 ALA 16.723 0.614 10 8 "[****.-* +*]"
1 38 GLU 15.778 0.833 6 11 [***-*+*****]
1 39 TYR 2.581 0.463 10 0 "[ . 1 ]"
1 40 GLN 2.504 0.193 4 0 "[ . 1 ]"
1 41 ASP 10.671 0.614 10 8 "[****.-* +*]"
1 47 LYS 0.285 0.056 2 0 "[ . 1 ]"
1 48 GLN 0.566 0.134 2 0 "[ . 1 ]"
1 49 GLU 3.140 0.262 7 0 "[ . 1 ]"
1 50 ILE 2.672 0.223 7 0 "[ . 1 ]"
1 51 LEU 0.738 0.118 3 0 "[ . 1 ]"
1 52 LEU 2.932 0.305 3 0 "[ . 1 ]"
1 53 ALA 3.551 0.262 7 0 "[ . 1 ]"
1 54 HIS 4.814 0.263 7 0 "[ . 1 ]"
1 55 ARG 2.658 0.246 2 0 "[ . 1 ]"
1 56 ARG 2.367 0.305 3 0 "[ . 1 ]"
1 57 PHE 0.411 0.131 6 0 "[ . 1 ]"
1 58 CYS 2.142 0.263 7 0 "[ . 1 ]"
1 59 GLU 2.206 0.246 2 0 "[ . 1 ]"
1 68 VAL 1.086 0.195 10 0 "[ . 1 ]"
1 72 LEU 1.086 0.195 10 0 "[ . 1 ]"
1 76 VAL 5.681 0.336 6 0 "[ . 1 ]"
1 78 PHE 0.508 0.101 4 0 "[ . 1 ]"
1 82 LEU 0.508 0.101 4 0 "[ . 1 ]"
1 85 PRO 1.685 0.212 9 0 "[ . 1 ]"
1 88 LYS 1.685 0.212 9 0 "[ . 1 ]"
1 93 LYS 2.658 0.169 2 0 "[ . 1 ]"
1 94 GLU 0.492 0.121 11 0 "[ . 1 ]"
1 95 ARG 2.419 0.187 7 0 "[ . 1 ]"
1 96 ILE 0.485 0.078 2 0 "[ . 1 ]"
1 97 CYS 2.658 0.169 2 0 "[ . 1 ]"
1 98 ARG 0.492 0.121 11 0 "[ . 1 ]"
1 99 VAL 2.419 0.187 7 0 "[ . 1 ]"
1 100 PHE 0.485 0.078 2 0 "[ . 1 ]"
1 109 LEU 5.681 0.336 6 0 "[ . 1 ]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 112 GLU 2.386 0.223 8 0 "[ . 1 ]"
1 113 ASP 0.784 0.124 11 0 "[ . 1 ]"
1 114 PHE 0.325 0.128 1 0 "[ . 1 ]"
1 115 LEU 3.039 0.377 2 0 "[ . 1 ]"
1 116 ASP 4.039 0.223 8 0 "[ . 1 ]"
1 117 LEU 2.073 0.213 6 0 "[ . 1 ]"
1 118 LEU 0.325 0.128 1 0 "[ . 1 ]"
1 119 SER 3.039 0.377 2 0 "[ . 1 ]"
1 120 VAL 1.653 0.142 8 0 "[ . 1 ]"
1 121 PHE 1.289 0.213 6 0 "[ . 1 ]"
1 127 PRO 1.366 0.162 10 0 "[ . 1 ]"
1 128 ASP 0.181 0.044 5 0 "[ . 1 ]"
1 129 ILE 1.601 0.107 2 0 "[ . 1 ]"
1 130 LYS 0.053 0.028 8 0 "[ . 1 ]"
1 131 SER 4.444 0.270 8 0 "[ . 1 ]"
1 132 HIS 1.724 0.136 2 0 "[ . 1 ]"
1 133 TYR 2.591 0.126 6 0 "[ . 1 ]"
1 134 ALA 0.754 0.112 4 0 "[ . 1 ]"
1 135 PHE 3.078 0.270 8 0 "[ . 1 ]"
1 136 ARG 1.543 0.136 2 0 "[ . 1 ]"
1 137 ILE 0.989 0.126 6 0 "[ . 1 ]"
1 138 PHE 0.702 0.112 4 0 "[ . 1 ]"
1 146 LEU 3.587 0.249 3 0 "[ . 1 ]"
1 148 ARG 0.031 0.017 3 0 "[ . 1 ]"
1 149 GLU 0.680 0.096 9 0 "[ . 1 ]"
1 150 ASP 0.973 0.123 2 0 "[ . 1 ]"
1 151 LEU 0.210 0.058 3 0 "[ . 1 ]"
1 152 SER 0.122 0.044 3 0 "[ . 1 ]"
1 153 ARG 1.515 0.096 9 0 "[ . 1 ]"
1 154 LEU 1.786 0.123 2 0 "[ . 1 ]"
1 155 VAL 0.247 0.058 3 0 "[ . 1 ]"
1 156 ASN 0.091 0.044 3 0 "[ . 1 ]"
1 157 CYS 0.835 0.096 2 0 "[ . 1 ]"
1 158 LEU 0.813 0.064 2 0 "[ . 1 ]"
1 159 THR 0.037 0.020 9 0 "[ . 1 ]"
1 170 SER 0.147 0.054 9 0 "[ . 1 ]"
1 171 GLU 1.550 0.191 2 0 "[ . 1 ]"
1 172 MET 0.374 0.065 2 0 "[ . 1 ]"
1 173 LYS 0.641 0.167 10 0 "[ . 1 ]"
1 174 GLN 0.958 0.115 10 0 "[ . 1 ]"
1 175 LEU 4.904 0.192 3 0 "[ . 1 ]"
1 176 ILE 0.374 0.065 2 0 "[ . 1 ]"
1 177 ASP 0.833 0.167 10 0 "[ . 1 ]"
1 178 ASN 1.657 0.115 10 0 "[ . 1 ]"
1 179 ILE 10.108 0.549 7 1 "[ . + 1 ]"
1 180 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 181 GLU 0.191 0.036 10 0 "[ . 1 ]"
1 182 GLU 0.846 0.110 11 0 "[ . 1 ]"
1 183 SER 6.754 0.549 7 1 "[ . + 1 ]"
1 191 ILE 3.587 0.249 3 0 "[ . 1 ]"
1 193 LEU 4.135 0.332 10 0 "[ . 1 ]"
1 194 SER 3.195 0.310 2 0 "[ . 1 ]"
1 195 GLU 8.819 0.603 10 3 "[ . -* + ]"
1 196 PHE 0.422 0.076 11 0 "[ . 1 ]"
1 197 GLN 5.602 0.332 10 0 "[ . 1 ]"
1 198 HIS 3.195 0.310 2 0 "[ . 1 ]"
1 199 VAL 8.819 0.603 10 3 "[ . -* + ]"
1 200 ILE 0.422 0.076 11 0 "[ . 1 ]"
1 201 SER 1.467 0.186 7 0 "[ . 1 ]"
1 206 PHE 0.064 0.045 9 0 "[ . 1 ]"
1 210 PHE 0.064 0.045 9 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 76 VAL H 1 109 LEU O 2.100 . 2.300 2.048 1.868 2.275 0.032 11 0 "[ . 1 ]" 3
2 1 76 VAL N 1 109 LEU O 3.100 2.900 3.300 2.881 2.756 3.107 0.144 11 0 "[ . 1 ]" 3
3 1 76 VAL O 1 109 LEU H 2.100 . 2.300 2.586 2.471 2.636 0.336 6 0 "[ . 1 ]" 3
4 1 76 VAL O 1 109 LEU N 3.100 2.900 3.300 3.462 3.376 3.531 0.231 3 0 "[ . 1 ]" 3
5 1 146 LEU O 1 191 ILE H 2.100 . 2.300 2.366 2.331 2.414 0.114 7 0 "[ . 1 ]" 3
6 1 146 LEU O 1 191 ILE N 3.100 2.900 3.300 3.278 3.246 3.318 0.018 7 0 "[ . 1 ]" 3
7 1 146 LEU H 1 191 ILE O 2.100 . 2.300 2.506 2.460 2.549 0.249 3 0 "[ . 1 ]" 3
8 1 146 LEU N 1 191 ILE O 3.100 2.900 3.300 3.353 3.317 3.392 0.092 3 0 "[ . 1 ]" 3
9 1 33 LYS O 1 37 ALA H 2.100 . 2.300 2.653 2.572 2.710 0.410 2 0 "[ . 1 ]" 3
10 1 33 LYS O 1 37 ALA N 3.100 2.900 3.300 3.497 3.428 3.543 0.243 2 0 "[ . 1 ]" 3
11 1 34 GLU O 1 38 GLU H 2.100 . 2.300 3.067 3.032 3.133 0.833 6 11 [*****+****-] 3
12 1 34 GLU O 1 38 GLU N 3.100 2.900 3.300 3.967 3.933 4.031 0.731 6 11 [***-*+*****] 3
13 1 35 LEU O 1 39 TYR H 2.100 . 2.300 2.523 2.391 2.763 0.463 10 0 "[ . 1 ]" 3
14 1 35 LEU O 1 39 TYR N 3.100 2.900 3.300 3.179 3.052 3.424 0.124 10 0 "[ . 1 ]" 3
15 1 36 LEU O 1 40 GLN H 2.100 . 2.300 1.881 1.780 2.357 0.120 7 0 "[ . 1 ]" 3
16 1 36 LEU O 1 40 GLN N 3.100 2.900 3.300 2.784 2.707 3.193 0.193 4 0 "[ . 1 ]" 3
17 1 37 ALA O 1 41 ASP H 2.100 . 2.300 2.831 2.759 2.914 0.614 10 8 "[****.-* +*]" 3
18 1 37 ALA O 1 41 ASP N 3.100 2.900 3.300 3.739 3.662 3.812 0.512 10 1 "[ . + ]" 3
19 1 47 LYS O 1 51 LEU H 2.100 . 2.300 2.034 1.957 2.213 . 0 0 "[ . 1 ]" 3
20 1 47 LYS O 1 51 LEU N 3.100 2.900 3.300 2.907 2.844 3.105 0.056 2 0 "[ . 1 ]" 3
21 1 48 GLN O 1 52 LEU H 2.100 . 2.300 2.218 1.974 2.434 0.134 2 0 "[ . 1 ]" 3
22 1 48 GLN O 1 52 LEU N 3.100 2.900 3.300 3.135 2.884 3.366 0.066 2 0 "[ . 1 ]" 3
23 1 49 GLU O 1 53 ALA H 2.100 . 2.300 2.496 2.436 2.562 0.262 7 0 "[ . 1 ]" 3
24 1 49 GLU O 1 53 ALA N 3.100 2.900 3.300 3.389 3.341 3.436 0.136 2 0 "[ . 1 ]" 3
25 1 50 ILE O 1 54 HIS H 2.100 . 2.300 1.838 1.792 1.893 0.108 3 0 "[ . 1 ]" 3
26 1 50 ILE O 1 54 HIS N 3.100 2.900 3.300 2.719 2.677 2.767 0.223 7 0 "[ . 1 ]" 3
27 1 51 LEU O 1 55 ARG H 2.100 . 2.300 2.238 1.992 2.386 0.086 7 0 "[ . 1 ]" 3
28 1 51 LEU O 1 55 ARG N 3.100 2.900 3.300 2.985 2.782 3.124 0.118 3 0 "[ . 1 ]" 3
29 1 52 LEU O 1 56 ARG H 2.100 . 2.300 2.451 2.326 2.605 0.305 3 0 "[ . 1 ]" 3
30 1 52 LEU O 1 56 ARG N 3.100 2.900 3.300 3.361 3.263 3.475 0.175 3 0 "[ . 1 ]" 3
31 1 53 ALA O 1 57 PHE H 2.100 . 2.300 2.252 1.981 2.431 0.131 6 0 "[ . 1 ]" 3
32 1 53 ALA O 1 57 PHE N 3.100 2.900 3.300 3.134 2.931 3.251 . 0 0 "[ . 1 ]" 3
33 1 54 HIS O 1 58 CYS H 2.100 . 2.300 1.908 1.842 1.970 0.058 2 0 "[ . 1 ]" 3
34 1 54 HIS O 1 58 CYS N 3.100 2.900 3.300 2.718 2.637 2.812 0.263 7 0 "[ . 1 ]" 3
35 1 55 ARG O 1 59 GLU H 2.100 . 2.300 2.481 2.431 2.546 0.246 2 0 "[ . 1 ]" 3
36 1 55 ARG O 1 59 GLU N 3.100 2.900 3.300 3.312 3.259 3.361 0.061 7 0 "[ . 1 ]" 3
37 1 68 VAL O 1 72 LEU H 2.100 . 2.300 2.396 2.270 2.495 0.195 10 0 "[ . 1 ]" 3
38 1 68 VAL O 1 72 LEU N 3.100 2.900 3.300 3.105 3.014 3.213 . 0 0 "[ . 1 ]" 3
39 1 78 PHE O 1 82 LEU H 2.100 . 2.300 1.969 1.860 2.141 0.040 4 0 "[ . 1 ]" 3
40 1 78 PHE O 1 82 LEU N 3.100 2.900 3.300 2.899 2.799 3.051 0.101 4 0 "[ . 1 ]" 3
41 1 85 PRO O 1 88 LYS H 2.100 . 2.300 2.453 2.365 2.512 0.212 9 0 "[ . 1 ]" 3
42 1 85 PRO O 1 88 LYS N 3.100 2.900 3.300 2.987 2.901 3.043 . 0 0 "[ . 1 ]" 3
43 1 93 LYS O 1 97 CYS H 2.100 . 2.300 2.444 2.396 2.469 0.169 2 0 "[ . 1 ]" 3
44 1 93 LYS O 1 97 CYS N 3.100 2.900 3.300 3.397 3.300 3.438 0.138 2 0 "[ . 1 ]" 3
45 1 94 GLU O 1 98 ARG H 2.100 . 2.300 1.957 1.830 2.049 0.070 11 0 "[ . 1 ]" 3
46 1 94 GLU O 1 98 ARG N 3.100 2.900 3.300 2.900 2.779 2.991 0.121 11 0 "[ . 1 ]" 3
47 1 95 ARG O 1 99 VAL H 2.100 . 2.300 2.465 2.414 2.487 0.187 7 0 "[ . 1 ]" 3
48 1 95 ARG O 1 99 VAL N 3.100 2.900 3.300 3.353 3.276 3.391 0.091 3 0 "[ . 1 ]" 3
49 1 96 ILE O 1 100 PHE H 2.100 . 2.300 2.002 1.874 2.283 0.026 2 0 "[ . 1 ]" 3
50 1 96 ILE O 1 100 PHE N 3.100 2.900 3.300 2.894 2.822 3.072 0.078 2 0 "[ . 1 ]" 3
51 1 111 PHE O 1 115 LEU H 2.100 . 2.300 2.124 2.017 2.297 . 0 0 "[ . 1 ]" 3
52 1 111 PHE O 1 115 LEU N 3.100 2.900 3.300 3.012 2.926 3.179 . 0 0 "[ . 1 ]" 3
53 1 112 GLU O 1 116 ASP H 2.100 . 2.300 2.441 2.387 2.523 0.223 8 0 "[ . 1 ]" 3
54 1 112 GLU O 1 116 ASP N 3.100 2.900 3.300 3.376 3.315 3.435 0.135 8 0 "[ . 1 ]" 3
55 1 113 ASP O 1 117 LEU H 2.100 . 2.300 2.311 2.084 2.406 0.106 1 0 "[ . 1 ]" 3
56 1 113 ASP O 1 117 LEU N 3.100 2.900 3.300 2.914 2.776 3.015 0.124 11 0 "[ . 1 ]" 3
57 1 114 PHE O 1 118 LEU H 2.100 . 2.300 2.164 1.908 2.428 0.128 1 0 "[ . 1 ]" 3
58 1 114 PHE O 1 118 LEU N 3.100 2.900 3.300 3.064 2.795 3.273 0.105 3 0 "[ . 1 ]" 3
59 1 115 LEU O 1 119 SER H 2.100 . 2.300 2.542 2.376 2.677 0.377 2 0 "[ . 1 ]" 3
60 1 115 LEU O 1 119 SER N 3.100 2.900 3.300 3.275 3.072 3.401 0.101 2 0 "[ . 1 ]" 3
61 1 116 ASP O 1 120 VAL H 2.100 . 2.300 2.398 2.351 2.442 0.142 8 0 "[ . 1 ]" 3
62 1 116 ASP O 1 120 VAL N 3.100 2.900 3.300 3.353 3.299 3.419 0.119 2 0 "[ . 1 ]" 3
63 1 117 LEU O 1 121 PHE H 2.100 . 2.300 2.195 2.014 2.314 0.014 1 0 "[ . 1 ]" 3
64 1 117 LEU O 1 121 PHE N 3.100 2.900 3.300 2.784 2.687 2.864 0.213 6 0 "[ . 1 ]" 3
65 1 127 PRO O 1 131 SER H 2.100 . 2.300 1.916 1.891 1.951 0.009 8 0 "[ . 1 ]" 3
66 1 127 PRO O 1 131 SER N 3.100 2.900 3.300 2.778 2.738 2.829 0.162 10 0 "[ . 1 ]" 3
67 1 128 ASP O 1 132 HIS H 2.100 . 2.300 2.271 2.116 2.344 0.044 5 0 "[ . 1 ]" 3
68 1 128 ASP O 1 132 HIS N 3.100 2.900 3.300 3.243 3.091 3.319 0.019 5 0 "[ . 1 ]" 3
69 1 129 ILE O 1 133 TYR H 2.100 . 2.300 2.384 2.356 2.407 0.107 2 0 "[ . 1 ]" 3
70 1 129 ILE O 1 133 TYR N 3.100 2.900 3.300 3.362 3.336 3.384 0.084 2 0 "[ . 1 ]" 3
71 1 130 LYS O 1 134 ALA H 2.100 . 2.300 2.162 1.950 2.314 0.014 3 0 "[ . 1 ]" 3
72 1 130 LYS O 1 134 ALA N 3.100 2.900 3.300 3.038 2.872 3.163 0.028 8 0 "[ . 1 ]" 3
73 1 131 SER O 1 135 PHE H 2.100 . 2.300 1.837 1.777 1.866 0.123 8 0 "[ . 1 ]" 3
74 1 131 SER O 1 135 PHE N 3.100 2.900 3.300 2.683 2.630 2.706 0.270 8 0 "[ . 1 ]" 3
75 1 132 HIS O 1 136 ARG H 2.100 . 2.300 2.387 2.357 2.436 0.136 2 0 "[ . 1 ]" 3
76 1 132 HIS O 1 136 ARG N 3.100 2.900 3.300 3.354 3.310 3.398 0.098 2 0 "[ . 1 ]" 3
77 1 133 TYR O 1 137 ILE H 2.100 . 2.300 2.390 2.332 2.426 0.126 6 0 "[ . 1 ]" 3
78 1 133 TYR O 1 137 ILE N 3.100 2.900 3.300 3.162 3.090 3.205 . 0 0 "[ . 1 ]" 3
79 1 134 ALA O 1 138 PHE H 2.100 . 2.300 2.359 2.245 2.412 0.112 4 0 "[ . 1 ]" 3
80 1 134 ALA O 1 138 PHE N 3.100 2.900 3.300 3.184 3.060 3.246 . 0 0 "[ . 1 ]" 3
81 1 148 ARG O 1 152 SER H 2.100 . 2.300 1.991 1.929 2.058 . 0 0 "[ . 1 ]" 3
82 1 148 ARG O 1 152 SER N 3.100 2.900 3.300 2.941 2.883 3.013 0.017 3 0 "[ . 1 ]" 3
83 1 149 GLU O 1 153 ARG H 2.100 . 2.300 2.362 2.327 2.396 0.096 9 0 "[ . 1 ]" 3
84 1 149 GLU O 1 153 ARG N 3.100 2.900 3.300 3.252 3.221 3.292 . 0 0 "[ . 1 ]" 3
85 1 150 ASP O 1 154 LEU H 2.100 . 2.300 2.387 2.337 2.423 0.123 2 0 "[ . 1 ]" 3
86 1 150 ASP O 1 154 LEU N 3.100 2.900 3.300 3.280 3.235 3.309 0.009 1 0 "[ . 1 ]" 3
87 1 151 LEU O 1 155 VAL H 2.100 . 2.300 1.946 1.882 1.998 0.018 3 0 "[ . 1 ]" 3
88 1 151 LEU O 1 155 VAL N 3.100 2.900 3.300 2.906 2.842 2.956 0.058 3 0 "[ . 1 ]" 3
89 1 152 SER O 1 156 ASN H 2.100 . 2.300 1.953 1.905 1.986 . 0 0 "[ . 1 ]" 3
90 1 152 SER O 1 156 ASN N 3.100 2.900 3.300 2.901 2.856 2.937 0.044 3 0 "[ . 1 ]" 3
91 1 153 ARG O 1 157 CYS H 2.100 . 2.300 1.886 1.864 1.914 0.036 2 0 "[ . 1 ]" 3
92 1 153 ARG O 1 157 CYS N 3.100 2.900 3.300 2.839 2.804 2.883 0.096 2 0 "[ . 1 ]" 3
93 1 154 LEU O 1 158 LEU H 2.100 . 2.300 2.349 2.323 2.364 0.064 2 0 "[ . 1 ]" 3
94 1 154 LEU O 1 158 LEU N 3.100 2.900 3.300 3.325 3.303 3.339 0.039 8 0 "[ . 1 ]" 3
95 1 155 VAL O 1 159 THR H 2.100 . 2.300 2.032 1.937 2.095 . 0 0 "[ . 1 ]" 3
96 1 155 VAL O 1 159 THR N 3.100 2.900 3.300 2.964 2.880 3.033 0.020 9 0 "[ . 1 ]" 3
97 1 170 SER O 1 174 GLN H 2.100 . 2.300 2.029 1.890 2.179 0.010 9 0 "[ . 1 ]" 3
98 1 170 SER O 1 174 GLN N 3.100 2.900 3.300 2.993 2.846 3.144 0.054 9 0 "[ . 1 ]" 3
99 1 171 GLU O 1 175 LEU H 2.100 . 2.300 2.441 2.383 2.491 0.191 2 0 "[ . 1 ]" 3
100 1 171 GLU O 1 175 LEU N 3.100 2.900 3.300 3.240 3.191 3.282 . 0 0 "[ . 1 ]" 3
101 1 172 MET O 1 176 ILE H 2.100 . 2.300 1.905 1.856 1.952 0.044 2 0 "[ . 1 ]" 3
102 1 172 MET O 1 176 ILE N 3.100 2.900 3.300 2.882 2.835 2.929 0.065 2 0 "[ . 1 ]" 3
103 1 173 LYS O 1 177 ASP H 2.100 . 2.300 1.980 1.880 2.055 0.020 10 0 "[ . 1 ]" 3
104 1 173 LYS O 1 177 ASP N 3.100 2.900 3.300 2.844 2.733 2.903 0.167 10 0 "[ . 1 ]" 3
105 1 174 GLN O 1 178 ASN H 2.100 . 2.300 2.371 2.339 2.415 0.115 10 0 "[ . 1 ]" 3
106 1 174 GLN O 1 178 ASN N 3.100 2.900 3.300 3.277 3.247 3.324 0.024 10 0 "[ . 1 ]" 3
107 1 175 LEU O 1 179 ILE H 2.100 . 2.300 2.466 2.452 2.492 0.192 3 0 "[ . 1 ]" 3
108 1 175 LEU O 1 179 ILE N 3.100 2.900 3.300 3.439 3.423 3.468 0.168 3 0 "[ . 1 ]" 3
109 1 176 ILE O 1 180 LEU H 2.100 . 2.300 2.100 2.074 2.138 . 0 0 "[ . 1 ]" 3
110 1 176 ILE O 1 180 LEU N 3.100 2.900 3.300 3.072 3.047 3.104 . 0 0 "[ . 1 ]" 3
111 1 177 ASP O 1 181 GLU H 2.100 . 2.300 2.316 2.290 2.336 0.036 10 0 "[ . 1 ]" 3
112 1 177 ASP O 1 181 GLU N 3.100 2.900 3.300 3.236 3.199 3.272 . 0 0 "[ . 1 ]" 3
113 1 178 ASN O 1 182 GLU H 2.100 . 2.300 2.374 2.357 2.410 0.110 11 0 "[ . 1 ]" 3
114 1 178 ASN O 1 182 GLU N 3.100 2.900 3.300 2.913 2.879 2.938 0.021 2 0 "[ . 1 ]" 3
115 1 179 ILE O 1 183 SER H 2.100 . 2.300 2.692 2.657 2.849 0.549 7 1 "[ . + 1 ]" 3
116 1 179 ILE O 1 183 SER N 3.100 2.900 3.300 3.522 3.489 3.651 0.351 7 0 "[ . 1 ]" 3
117 1 193 LEU O 1 197 GLN H 2.100 . 2.300 2.576 2.513 2.632 0.332 10 0 "[ . 1 ]" 3
118 1 193 LEU O 1 197 GLN N 3.100 2.900 3.300 3.400 3.342 3.442 0.142 10 0 "[ . 1 ]" 3
119 1 194 SER O 1 198 HIS H 2.100 . 2.300 2.492 2.449 2.610 0.310 2 0 "[ . 1 ]" 3
120 1 194 SER O 1 198 HIS N 3.100 2.900 3.300 3.398 3.359 3.504 0.204 2 0 "[ . 1 ]" 3
121 1 195 GLU O 1 199 VAL H 2.100 . 2.300 2.788 2.729 2.903 0.603 10 3 "[ . -* + ]" 3
122 1 195 GLU O 1 199 VAL N 3.100 2.900 3.300 3.614 3.560 3.737 0.437 10 0 "[ . 1 ]" 3
123 1 196 PHE O 1 200 ILE H 2.100 . 2.300 2.335 2.263 2.376 0.076 11 0 "[ . 1 ]" 3
124 1 196 PHE O 1 200 ILE N 3.100 2.900 3.300 3.233 3.194 3.270 . 0 0 "[ . 1 ]" 3
125 1 197 GLN O 1 201 SER H 2.100 . 2.300 2.433 2.397 2.486 0.186 7 0 "[ . 1 ]" 3
126 1 197 GLN O 1 201 SER N 3.100 2.900 3.300 3.248 3.210 3.296 . 0 0 "[ . 1 ]" 3
127 1 206 PHE O 1 210 PHE H 2.100 . 2.300 2.178 1.995 2.345 0.045 9 0 "[ . 1 ]" 3
128 1 206 PHE O 1 210 PHE N 3.100 2.900 3.300 3.075 2.909 3.254 . 0 0 "[ . 1 ]" 3
stop_
save_
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