NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
630596 |
6coq   |
30429 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6coq
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 572
_Distance_constraint_stats_list.Viol_count 6972
_Distance_constraint_stats_list.Viol_total 49234.898
_Distance_constraint_stats_list.Viol_max 1.284
_Distance_constraint_stats_list.Viol_rms 0.2098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2152
_Distance_constraint_stats_list.Viol_average_violations_only 0.3531
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 MET 112.479 1.284 9 20 [********+******-****]
1 3 ARG 198.849 1.284 9 20 [********+*-*********]
1 4 LEU 280.329 0.615 10 20 [*********+******-***]
1 5 SER 226.950 0.515 11 20 [***-******+*********]
1 6 ALA 194.055 0.589 17 20 [***************-+***]
1 7 PHE 689.992 0.672 8 20 [*******+*-**********]
1 8 PHE 447.029 0.559 15 20 [**********-***+*****]
1 9 ARG 283.890 0.730 11 20 [**********+*****-***]
1 10 ASP 333.856 0.611 8 20 [***-***+************]
1 11 PHE 425.346 0.666 14 20 [**-**********+******]
1 12 ILE 493.673 0.957 15 20 [**-***********+*****]
1 13 LEU 329.253 0.803 11 20 [******-***+*********]
1 14 GLN 242.257 1.152 15 20 [***********-**+*****]
1 15 ARG 193.654 0.585 11 20 [**********+-********]
1 16 LYS 220.177 0.651 15 20 [***********-**+*****]
1 17 LYS 97.576 1.152 15 18 "[* *********-**+****2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET HA 1 2 MET QB 2.300 . 3.100 2.164 2.155 2.227 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 2 MET QG 2.500 . 3.400 3.401 2.669 3.492 0.092 1 0 "[ . 1 . 2]" 1
3 1 2 MET H 1 2 MET HA 2.700 . 3.600 2.886 2.873 2.966 . 0 0 "[ . 1 . 2]" 1
4 1 2 MET QB 1 2 MET QG 2.300 . 3.100 2.004 1.923 2.046 . 0 0 "[ . 1 . 2]" 1
5 1 2 MET HA 1 3 ARG HA 2.600 . 3.900 4.214 4.132 4.235 0.335 14 0 "[ . 1 . 2]" 1
6 1 2 MET HA 1 3 ARG QB 2.600 . 4.000 4.016 3.941 4.140 0.140 9 0 "[ . 1 . 2]" 1
7 1 2 MET HA 1 3 ARG QG 2.500 . 3.400 3.759 3.682 3.832 0.432 13 0 "[ . 1 . 2]" 1
8 1 2 MET HA 1 3 ARG H 2.400 . 3.200 2.399 2.318 2.435 . 0 0 "[ . 1 . 2]" 1
9 1 2 MET QB 1 3 ARG HA 2.500 . 3.400 3.807 3.215 3.890 0.490 13 0 "[ . 1 . 2]" 1
10 1 2 MET QB 1 3 ARG H 2.500 . 3.400 1.960 1.830 2.035 0.170 9 0 "[ . 1 . 2]" 1
11 1 2 MET QG 1 3 ARG HA 2.800 . 3.800 3.915 3.764 5.084 1.284 9 1 "[ . +1 . 2]" 1
12 1 2 MET QG 1 3 ARG H 2.700 . 3.600 3.446 3.372 3.568 . 0 0 "[ . 1 . 2]" 1
13 1 2 MET HA 1 4 LEU QD 2.800 . 3.800 3.618 3.419 3.719 . 0 0 "[ . 1 . 2]" 1
14 1 2 MET HA 1 4 LEU HG 2.600 . 4.100 4.644 4.530 4.715 0.615 10 15 "[* **.****+** **-* *]" 1
15 1 2 MET HA 1 4 LEU H 2.700 . 3.600 3.567 3.472 3.624 0.024 10 0 "[ . 1 . 2]" 1
16 1 2 MET QB 1 4 LEU QB 2.700 . 4.600 5.020 5.004 5.058 0.458 14 0 "[ . 1 . 2]" 1
17 1 2 MET QB 1 4 LEU QD 2.500 . 3.400 3.646 3.604 3.865 0.465 9 0 "[ . 1 . 2]" 1
18 1 2 MET QB 1 4 LEU HG 2.300 . 3.300 3.699 3.677 3.845 0.545 9 1 "[ . +1 . 2]" 1
19 1 2 MET QB 1 4 LEU H 2.500 . 3.400 2.967 2.919 3.033 . 0 0 "[ . 1 . 2]" 1
20 1 2 MET QG 1 4 LEU QD 2.900 . 4.500 4.964 4.438 5.053 0.553 19 6 "[ * * 1 **. - +2]" 1
21 1 2 MET QG 1 4 LEU H 3.000 . 4.000 4.460 4.420 4.491 0.491 9 0 "[ . 1 . 2]" 1
22 1 2 MET HA 1 5 SER QB 2.900 . 3.900 3.146 2.944 3.220 . 0 0 "[ . 1 . 2]" 1
23 1 2 MET HA 1 5 SER H 2.900 . 3.900 3.756 3.633 3.820 . 0 0 "[ . 1 . 2]" 1
24 1 2 MET QB 1 5 SER QB 2.500 . 3.400 1.737 1.695 1.858 0.105 17 0 "[ . 1 . 2]" 1
25 1 2 MET QB 1 5 SER H 2.500 . 3.400 2.234 2.194 2.276 . 0 0 "[ . 1 . 2]" 1
26 1 2 MET QG 1 5 SER QB 3.100 2.100 3.900 3.303 2.432 3.609 . 0 0 "[ . 1 . 2]" 1
27 1 2 MET QG 1 5 SER H 2.800 . 3.800 3.719 3.647 3.805 0.005 19 0 "[ . 1 . 2]" 1
28 1 2 MET HA 1 6 ALA HA 2.600 . 5.800 6.294 6.126 6.340 0.540 17 6 "[ * * 1 *-. + *2]" 1
29 1 2 MET HA 1 6 ALA MB 2.700 . 4.200 4.380 4.283 4.445 0.245 17 0 "[ . 1 . 2]" 1
30 1 2 MET QB 1 6 ALA HA 2.300 . 3.400 3.888 3.300 3.989 0.589 17 16 "[******** ** **.-+**2]" 1
31 1 2 MET QB 1 6 ALA MB 2.600 . 3.500 2.903 2.122 3.052 . 0 0 "[ . 1 . 2]" 1
32 1 2 MET QB 1 6 ALA H 2.300 . 3.100 2.714 2.515 2.809 . 0 0 "[ . 1 . 2]" 1
33 1 2 MET QG 1 6 ALA HA 2.600 . 3.400 2.817 2.713 3.556 0.156 9 0 "[ . 1 . 2]" 1
34 1 2 MET QG 1 6 ALA MB 2.700 . 3.600 2.238 2.082 3.555 . 0 0 "[ . 1 . 2]" 1
35 1 2 MET QB 1 7 PHE QE 2.900 . 6.300 6.754 6.740 6.781 0.481 14 0 "[ . 1 . 2]" 1
36 1 2 MET QB 1 7 PHE HZ 3.000 . 8.000 8.057 8.042 8.076 0.076 13 0 "[ . 1 . 2]" 1
37 1 3 ARG HA 1 3 ARG QB 2.300 . 3.100 2.406 2.379 2.428 . 0 0 "[ . 1 . 2]" 1
38 1 3 ARG HA 1 3 ARG QD 2.400 . 3.400 3.845 3.810 3.923 0.523 14 3 "[ - *1 +. 2]" 1
39 1 3 ARG HA 1 3 ARG HE 2.800 . 4.200 4.714 4.609 4.836 0.636 9 9 "[ * * +1*- ** **]" 1
40 1 3 ARG HA 1 3 ARG QG 2.400 . 3.100 2.418 2.362 2.514 . 0 0 "[ . 1 . 2]" 1
41 1 3 ARG H 1 3 ARG HA 2.400 . 3.200 2.725 2.651 2.733 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG QB 1 3 ARG QD 2.200 . 3.000 2.218 2.166 2.331 . 0 0 "[ . 1 . 2]" 1
43 1 3 ARG H 1 3 ARG QB 2.500 . 3.400 2.743 2.724 2.796 . 0 0 "[ . 1 . 2]" 1
44 1 3 ARG QB 1 3 ARG HE 2.500 . 3.400 3.378 2.293 3.958 0.558 10 13 "[** *.*** + ** .***-2]" 1
45 1 3 ARG QD 1 3 ARG QG 2.300 . 3.100 2.108 2.052 2.137 . 0 0 "[ . 1 . 2]" 1
46 1 3 ARG H 1 3 ARG QD 2.500 . 3.400 3.313 3.258 3.416 0.016 14 0 "[ . 1 . 2]" 1
47 1 3 ARG HE 1 3 ARG QG 2.700 . 3.600 2.239 2.100 2.481 . 0 0 "[ . 1 . 2]" 1
48 1 3 ARG H 1 3 ARG QG 2.500 . 3.400 3.531 3.495 3.560 0.160 13 0 "[ . 1 . 2]" 1
49 1 3 ARG HA 1 4 LEU HA 2.500 . 4.100 4.401 4.380 4.423 0.323 19 0 "[ . 1 . 2]" 1
50 1 3 ARG HA 1 4 LEU QB 2.500 . 4.700 4.991 4.962 4.998 0.298 17 0 "[ . 1 . 2]" 1
51 1 3 ARG HA 1 4 LEU QD 2.600 . 4.500 4.840 4.791 4.864 0.364 11 0 "[ . 1 . 2]" 1
52 1 3 ARG HA 1 4 LEU HG 2.300 . 5.000 5.389 5.375 5.398 0.398 5 0 "[ . 1 . 2]" 1
53 1 3 ARG HA 1 4 LEU H 2.400 . 3.200 3.287 3.276 3.294 0.094 9 0 "[ . 1 . 2]" 1
54 1 3 ARG QB 1 4 LEU QD 2.600 . 3.500 3.118 3.083 3.169 . 0 0 "[ . 1 . 2]" 1
55 1 3 ARG QB 1 4 LEU H 2.500 . 3.400 2.474 2.461 2.482 . 0 0 "[ . 1 . 2]" 1
56 1 3 ARG QD 1 4 LEU QD 2.500 . 3.400 3.384 3.299 3.415 0.015 3 0 "[ . 1 . 2]" 1
57 1 3 ARG QD 1 4 LEU H 2.700 . 3.600 3.714 3.677 3.745 0.145 14 0 "[ . 1 . 2]" 1
58 1 3 ARG H 1 4 LEU HA 2.700 . 3.600 3.971 3.951 3.989 0.389 9 0 "[ . 1 . 2]" 1
59 1 3 ARG H 1 4 LEU QB 2.500 . 3.600 3.879 3.847 3.949 0.349 9 0 "[ . 1 . 2]" 1
60 1 3 ARG H 1 4 LEU QD 2.700 . 3.600 2.963 2.872 3.040 . 0 0 "[ . 1 . 2]" 1
61 1 3 ARG H 1 4 LEU HG 2.400 . 3.200 3.119 3.101 3.195 . 0 0 "[ . 1 . 2]" 1
62 1 3 ARG H 1 4 LEU H 2.200 . 3.000 1.399 1.375 1.472 0.025 5 0 "[ . 1 . 2]" 1
63 1 3 ARG HA 1 5 SER HA 2.600 . 5.900 6.346 6.324 6.362 0.462 12 0 "[ . 1 . 2]" 1
64 1 3 ARG HA 1 5 SER QB 2.900 . 4.500 4.934 4.888 4.944 0.444 12 0 "[ . 1 . 2]" 1
65 1 3 ARG HA 1 5 SER H 2.500 . 3.400 3.831 3.811 3.844 0.444 12 0 "[ . 1 . 2]" 1
66 1 3 ARG QB 1 5 SER QB 2.700 . 4.200 4.658 4.642 4.694 0.494 5 0 "[ . 1 . 2]" 1
67 1 3 ARG QB 1 5 SER H 2.600 . 3.500 3.763 3.755 3.776 0.276 5 0 "[ . 1 . 2]" 1
68 1 3 ARG QG 1 5 SER H 2.800 . 4.600 5.036 5.009 5.051 0.451 10 0 "[ . 1 . 2]" 1
69 1 3 ARG H 1 5 SER H 2.800 . 3.800 1.772 1.747 1.785 0.053 19 0 "[ . 1 . 2]" 1
70 1 3 ARG HA 1 6 ALA MB 2.400 . 3.200 2.388 2.348 2.410 . 0 0 "[ . 1 . 2]" 1
71 1 3 ARG HA 1 6 ALA H 2.600 . 3.500 3.497 3.475 3.527 0.027 9 0 "[ . 1 . 2]" 1
72 1 3 ARG QB 1 6 ALA H 2.600 . 3.900 4.379 4.362 4.406 0.506 9 1 "[ . +1 . 2]" 1
73 1 3 ARG QD 1 6 ALA MB 2.400 . 4.700 5.130 5.093 5.244 0.544 9 2 "[ . +1 -. 2]" 1
74 1 3 ARG QG 1 6 ALA H 2.300 . 4.900 5.316 5.300 5.395 0.495 9 0 "[ . 1 . 2]" 1
75 1 3 ARG H 1 6 ALA HA 2.400 . 4.600 5.047 5.044 5.055 0.455 17 0 "[ . 1 . 2]" 1
76 1 3 ARG H 1 6 ALA MB 2.600 . 3.500 3.146 3.081 3.167 . 0 0 "[ . 1 . 2]" 1
77 1 3 ARG H 1 6 ALA H 2.800 . 3.800 2.750 2.740 2.768 . 0 0 "[ . 1 . 2]" 1
78 1 3 ARG HA 1 8 PHE H 2.800 . 5.800 6.064 6.036 6.100 0.300 9 0 "[ . 1 . 2]" 1
79 1 3 ARG H 1 8 PHE H 3.000 . 4.700 5.199 5.184 5.207 0.507 18 13 "[* **.*** *- ***+ *]" 1
80 1 4 LEU HA 1 4 LEU QB 2.300 . 3.000 2.161 2.158 2.163 . 0 0 "[ . 1 . 2]" 1
81 1 4 LEU HA 1 4 LEU QD 2.300 . 3.100 3.349 3.345 3.356 0.256 14 0 "[ . 1 . 2]" 1
82 1 4 LEU HA 1 4 LEU HG 2.200 . 3.000 3.337 3.330 3.341 0.341 1 0 "[ . 1 . 2]" 1
83 1 4 LEU H 1 4 LEU HA 2.400 . 3.200 2.791 2.788 2.801 . 0 0 "[ . 1 . 2]" 1
84 1 4 LEU QB 1 4 LEU QD 2.300 . 3.100 1.935 1.927 1.938 . 0 0 "[ . 1 . 2]" 1
85 1 4 LEU H 1 4 LEU QB 2.400 . 3.200 2.634 2.620 2.644 . 0 0 "[ . 1 . 2]" 1
86 1 4 LEU H 1 4 LEU QD 2.500 . 3.400 2.376 2.324 2.402 . 0 0 "[ . 1 . 2]" 1
87 1 4 LEU H 1 4 LEU HG 2.400 . 3.200 2.148 2.125 2.175 . 0 0 "[ . 1 . 2]" 1
88 1 4 LEU HA 1 5 SER QB 2.500 . 4.100 4.537 4.532 4.541 0.441 13 0 "[ . 1 . 2]" 1
89 1 4 LEU HA 1 5 SER H 2.400 . 3.200 3.169 3.158 3.171 . 0 0 "[ . 1 . 2]" 1
90 1 4 LEU QB 1 5 SER QB 2.500 . 3.600 3.992 3.987 4.003 0.403 9 0 "[ . 1 . 2]" 1
91 1 4 LEU QB 1 5 SER H 2.400 . 3.200 3.426 3.421 3.433 0.233 9 0 "[ . 1 . 2]" 1
92 1 4 LEU QD 1 5 SER HA 2.700 . 3.600 2.791 2.774 2.821 . 0 0 "[ . 1 . 2]" 1
93 1 4 LEU QD 1 5 SER QB 3.000 . 3.800 2.313 2.301 2.358 . 0 0 "[ . 1 . 2]" 1
94 1 4 LEU QD 1 5 SER H 2.500 . 3.400 2.891 2.850 2.906 . 0 0 "[ . 1 . 2]" 1
95 1 4 LEU HG 1 5 SER QB 2.600 . 3.500 2.158 2.131 2.163 . 0 0 "[ . 1 . 2]" 1
96 1 4 LEU HG 1 5 SER H 2.400 . 3.200 2.019 2.015 2.042 . 0 0 "[ . 1 . 2]" 1
97 1 4 LEU H 1 5 SER HA 2.700 . 3.800 4.081 4.063 4.090 0.290 5 0 "[ . 1 . 2]" 1
98 1 4 LEU H 1 5 SER QB 2.700 . 3.500 2.787 2.779 2.810 . 0 0 "[ . 1 . 2]" 1
99 1 4 LEU H 1 5 SER H 2.500 . 3.400 1.459 1.452 1.467 0.148 10 0 "[ . 1 . 2]" 1
100 1 4 LEU QD 1 6 ALA H 2.900 . 3.800 4.051 4.039 4.074 0.274 9 0 "[ . 1 . 2]" 1
101 1 4 LEU H 1 6 ALA MB 2.600 . 3.500 3.759 3.747 3.771 0.271 9 0 "[ . 1 . 2]" 1
102 1 4 LEU H 1 6 ALA H 2.800 . 3.800 2.782 2.772 2.831 . 0 0 "[ . 1 . 2]" 1
103 1 4 LEU HA 1 7 PHE QD 2.900 . 3.900 2.073 2.055 2.113 . 0 0 "[ . 1 . 2]" 1
104 1 4 LEU QB 1 7 PHE QD 2.900 . 3.900 2.183 2.149 2.191 . 0 0 "[ . 1 . 2]" 1
105 1 4 LEU QB 1 7 PHE QE 2.600 . 3.500 2.607 2.596 2.620 . 0 0 "[ . 1 . 2]" 1
106 1 4 LEU QB 1 7 PHE HZ 2.700 . 4.400 4.868 4.859 4.881 0.481 4 0 "[ . 1 . 2]" 1
107 1 4 LEU QB 1 7 PHE HA 2.300 . 5.500 6.017 5.994 6.025 0.525 1 19 "[+******* *******-***]" 1
108 1 4 LEU QD 1 7 PHE QB 2.600 . 3.700 4.193 4.181 4.198 0.498 5 0 "[ . 1 . 2]" 1
109 1 4 LEU QD 1 7 PHE QD 2.800 . 3.800 3.255 3.234 3.260 . 0 0 "[ . 1 . 2]" 1
110 1 4 LEU QD 1 7 PHE QE 2.600 . 3.500 2.200 2.174 2.210 . 0 0 "[ . 1 . 2]" 1
111 1 4 LEU QD 1 7 PHE H 2.600 . 3.700 4.111 4.106 4.121 0.421 9 0 "[ . 1 . 2]" 1
112 1 4 LEU QD 1 7 PHE HZ 2.500 . 3.400 3.761 3.738 3.781 0.381 8 0 "[ . 1 . 2]" 1
113 1 4 LEU HG 1 7 PHE QD 2.800 . 3.800 4.257 4.236 4.272 0.472 7 0 "[ . 1 . 2]" 1
114 1 4 LEU HG 1 7 PHE QE 2.500 . 3.800 4.205 4.173 4.224 0.424 10 0 "[ . 1 . 2]" 1
115 1 4 LEU HG 1 7 PHE H 2.500 . 3.800 4.182 4.158 4.197 0.397 9 0 "[ . 1 . 2]" 1
116 1 4 LEU HG 1 7 PHE HZ 2.600 . 5.800 6.055 6.014 6.087 0.287 8 0 "[ . 1 . 2]" 1
117 1 4 LEU H 1 7 PHE QE 2.700 . 5.000 5.446 5.439 5.454 0.454 14 0 "[ . 1 . 2]" 1
118 1 4 LEU H 1 7 PHE H 2.800 . 3.800 3.752 3.737 3.797 . 0 0 "[ . 1 . 2]" 1
119 1 4 LEU H 1 7 PHE HZ 3.000 . 7.000 7.325 7.316 7.339 0.339 8 0 "[ . 1 . 2]" 1
120 1 4 LEU QB 1 8 PHE QD 2.800 . 3.800 3.861 3.856 3.871 0.071 5 0 "[ . 1 . 2]" 1
121 1 4 LEU QD 1 8 PHE HA 2.800 . 3.800 4.248 4.241 4.256 0.456 14 0 "[ . 1 . 2]" 1
122 1 4 LEU QD 1 8 PHE QB 2.600 . 3.400 3.594 3.578 3.609 0.209 9 0 "[ . 1 . 2]" 1
123 1 4 LEU QD 1 8 PHE QD 2.600 . 3.400 2.165 2.158 2.175 . 0 0 "[ . 1 . 2]" 1
124 1 4 LEU QD 1 8 PHE QE 3.100 . 4.200 2.312 2.297 2.326 . 0 0 "[ . 1 . 2]" 1
125 1 4 LEU QD 1 8 PHE H 2.700 . 3.600 3.914 3.906 3.926 0.326 2 0 "[ . 1 . 2]" 1
126 1 4 LEU QD 1 8 PHE HZ 2.800 . 3.800 3.902 3.896 3.907 0.107 19 0 "[ . 1 . 2]" 1
127 1 4 LEU HG 1 8 PHE QD 2.700 . 3.600 3.793 3.750 3.813 0.213 18 0 "[ . 1 . 2]" 1
128 1 4 LEU HG 1 8 PHE HZ 2.700 . 6.600 6.621 6.590 6.640 0.040 10 0 "[ . 1 . 2]" 1
129 1 4 LEU H 1 8 PHE HA 2.900 . 6.500 6.807 6.800 6.815 0.315 9 0 "[ . 1 . 2]" 1
130 1 4 LEU H 1 8 PHE QB 2.500 . 5.000 5.216 5.200 5.222 0.222 11 0 "[ . 1 . 2]" 1
131 1 4 LEU H 1 8 PHE H 2.800 . 4.400 4.743 4.738 4.760 0.360 9 0 "[ . 1 . 2]" 1
132 1 4 LEU QD 1 9 ARG HA 3.100 . 8.200 7.587 7.579 7.595 . 0 0 "[ . 1 . 2]" 1
133 1 5 SER HA 1 5 SER QB 2.200 . 3.000 2.123 2.118 2.144 . 0 0 "[ . 1 . 2]" 1
134 1 5 SER H 1 5 SER HA 2.300 . 3.100 2.781 2.777 2.785 . 0 0 "[ . 1 . 2]" 1
135 1 5 SER H 1 5 SER QB 2.400 . 3.200 1.877 1.869 1.924 . 0 0 "[ . 1 . 2]" 1
136 1 5 SER QB 1 6 ALA MB 2.500 . 3.700 4.104 4.079 4.128 0.428 17 0 "[ . 1 . 2]" 1
137 1 5 SER QB 1 6 ALA H 2.400 . 3.200 3.085 3.073 3.103 . 0 0 "[ . 1 . 2]" 1
138 1 5 SER H 1 6 ALA MB 2.500 . 3.400 3.377 3.356 3.387 . 0 0 "[ . 1 . 2]" 1
139 1 5 SER H 1 6 ALA H 2.400 . 3.200 1.820 1.813 1.841 . 0 0 "[ . 1 . 2]" 1
140 1 5 SER HA 1 7 PHE QB 2.300 . 4.300 4.731 4.722 4.740 0.440 11 0 "[ . 1 . 2]" 1
141 1 5 SER HA 1 7 PHE QD 2.700 . 4.200 4.708 4.702 4.715 0.515 11 20 [***-******+*********] 1
142 1 5 SER HA 1 7 PHE QE 2.500 . 3.800 4.255 4.244 4.263 0.463 12 0 "[ . 1 . 2]" 1
143 1 5 SER HA 1 7 PHE HZ 2.700 . 4.500 4.901 4.894 4.920 0.420 8 0 "[ . 1 . 2]" 1
144 1 5 SER QB 1 7 PHE QB 2.800 . 4.900 5.354 5.348 5.363 0.463 9 0 "[ . 1 . 2]" 1
145 1 5 SER QB 1 7 PHE QE 2.600 . 4.500 4.941 4.926 4.951 0.451 9 0 "[ . 1 . 2]" 1
146 1 5 SER QB 1 7 PHE H 2.600 . 3.700 4.141 4.134 4.155 0.455 9 0 "[ . 1 . 2]" 1
147 1 5 SER QB 1 7 PHE HZ 3.100 . 5.600 6.057 6.032 6.089 0.489 9 0 "[ . 1 . 2]" 1
148 1 5 SER H 1 7 PHE QB 2.600 . 3.800 4.263 4.254 4.276 0.476 9 0 "[ . 1 . 2]" 1
149 1 5 SER H 1 7 PHE QE 2.900 . 4.700 5.166 5.161 5.173 0.473 9 0 "[ . 1 . 2]" 1
150 1 5 SER H 1 7 PHE H 2.600 . 3.500 2.978 2.967 2.998 . 0 0 "[ . 1 . 2]" 1
151 1 5 SER H 1 7 PHE HZ 3.100 . 6.200 6.679 6.674 6.693 0.493 8 0 "[ . 1 . 2]" 1
152 1 5 SER HA 1 8 PHE HZ 2.700 . 5.100 5.559 5.552 5.569 0.469 13 0 "[ . 1 . 2]" 1
153 1 5 SER QB 1 8 PHE QB 2.700 . 3.500 3.299 3.279 3.341 . 0 0 "[ . 1 . 2]" 1
154 1 5 SER QB 1 8 PHE H 2.600 . 3.600 4.026 4.018 4.040 0.440 9 0 "[ . 1 . 2]" 1
155 1 5 SER H 1 8 PHE HA 2.500 . 5.300 5.779 5.775 5.787 0.487 9 0 "[ . 1 . 2]" 1
156 1 5 SER H 1 8 PHE QB 2.700 . 3.600 3.954 3.943 3.961 0.361 11 0 "[ . 1 . 2]" 1
157 1 5 SER H 1 8 PHE QD 3.100 . 4.200 4.263 4.260 4.272 0.072 8 0 "[ . 1 . 2]" 1
158 1 5 SER H 1 8 PHE H 2.600 . 3.500 3.626 3.624 3.633 0.133 9 0 "[ . 1 . 2]" 1
159 1 6 ALA HA 1 6 ALA MB 2.200 . 3.000 2.144 2.143 2.150 . 0 0 "[ . 1 . 2]" 1
160 1 6 ALA H 1 6 ALA HA 2.300 . 3.100 2.880 2.876 2.900 . 0 0 "[ . 1 . 2]" 1
161 1 6 ALA H 1 6 ALA MB 2.300 . 3.100 2.217 2.178 2.228 . 0 0 "[ . 1 . 2]" 1
162 1 6 ALA MB 1 7 PHE H 2.400 . 3.200 2.890 2.886 2.895 . 0 0 "[ . 1 . 2]" 1
163 1 6 ALA H 1 7 PHE QB 2.500 . 3.400 3.626 3.619 3.631 0.231 19 0 "[ . 1 . 2]" 1
164 1 6 ALA H 1 7 PHE H 2.500 . 3.400 1.751 1.748 1.755 . 0 0 "[ . 1 . 2]" 1
165 1 6 ALA HA 1 8 PHE QB 2.400 . 3.600 4.056 4.048 4.069 0.469 13 0 "[ . 1 . 2]" 1
166 1 6 ALA MB 1 8 PHE HA 2.500 . 6.000 5.993 5.983 5.997 . 0 0 "[ . 1 . 2]" 1
167 1 6 ALA MB 1 8 PHE QB 2.500 . 4.300 4.705 4.700 4.710 0.410 14 0 "[ . 1 . 2]" 1
168 1 6 ALA MB 1 8 PHE QD 2.500 . 5.300 5.703 5.697 5.706 0.406 15 0 "[ . 1 . 2]" 1
169 1 6 ALA MB 1 8 PHE H 2.300 . 3.500 3.944 3.937 3.948 0.448 15 0 "[ . 1 . 2]" 1
170 1 6 ALA H 1 8 PHE HA 2.600 . 4.800 5.250 5.245 5.253 0.453 12 0 "[ . 1 . 2]" 1
171 1 6 ALA H 1 8 PHE QB 2.400 . 3.200 3.636 3.629 3.641 0.441 12 0 "[ . 1 . 2]" 1
172 1 6 ALA H 1 8 PHE QD 2.700 . 4.000 4.473 4.469 4.479 0.479 14 0 "[ . 1 . 2]" 1
173 1 6 ALA H 1 8 PHE H 2.300 . 3.100 2.729 2.722 2.733 . 0 0 "[ . 1 . 2]" 1
174 1 6 ALA HA 1 9 ARG QD 2.400 . 3.200 3.126 3.100 3.143 . 0 0 "[ . 1 . 2]" 1
175 1 6 ALA HA 1 9 ARG HE 2.600 . 4.100 4.222 4.200 4.283 0.183 8 0 "[ . 1 . 2]" 1
176 1 6 ALA MB 1 9 ARG HA 2.500 . 6.900 7.214 7.200 7.226 0.326 12 0 "[ . 1 . 2]" 1
177 1 6 ALA MB 1 9 ARG QD 2.400 . 4.200 4.337 4.312 4.351 0.151 12 0 "[ . 1 . 2]" 1
178 1 6 ALA MB 1 9 ARG HE 2.300 . 4.700 4.775 4.763 4.821 0.121 8 0 "[ . 1 . 2]" 1
179 1 6 ALA MB 1 9 ARG H 2.500 . 4.500 4.932 4.915 4.944 0.444 1 0 "[ . 1 . 2]" 1
180 1 6 ALA HA 1 10 ASP QB 2.800 . 5.600 6.129 6.065 6.145 0.545 5 18 "[*** +** -***********]" 1
181 1 6 ALA MB 1 10 ASP QB 2.600 . 4.700 5.242 5.208 5.261 0.561 18 20 [***-*************+**] 1
182 1 6 ALA MB 1 10 ASP H 2.500 . 5.400 5.795 5.782 5.806 0.406 4 0 "[ . 1 . 2]" 1
183 1 7 PHE HA 1 7 PHE QB 2.300 . 3.100 2.290 2.287 2.295 . 0 0 "[ . 1 . 2]" 1
184 1 7 PHE HA 1 7 PHE QD 3.000 . 4.000 2.981 2.978 2.997 . 0 0 "[ . 1 . 2]" 1
185 1 7 PHE HA 1 7 PHE QE 2.400 . 4.100 4.540 4.529 4.542 0.442 20 0 "[ . 1 . 2]" 1
186 1 7 PHE H 1 7 PHE HA 2.300 . 3.100 2.905 2.903 2.907 . 0 0 "[ . 1 . 2]" 1
187 1 7 PHE H 1 7 PHE QB 2.200 . 3.000 2.312 2.307 2.315 . 0 0 "[ . 1 . 2]" 1
188 1 7 PHE H 1 7 PHE QE 2.400 . 4.100 4.451 4.444 4.454 0.354 12 0 "[ . 1 . 2]" 1
189 1 7 PHE H 1 7 PHE HZ 2.700 . 5.100 5.352 5.350 5.355 0.255 12 0 "[ . 1 . 2]" 1
190 1 7 PHE HA 1 8 PHE HA 2.400 . 4.000 4.364 4.360 4.367 0.367 1 0 "[ . 1 . 2]" 1
191 1 7 PHE HA 1 8 PHE QB 2.400 . 4.500 4.836 4.833 4.840 0.340 8 0 "[ . 1 . 2]" 1
192 1 7 PHE HA 1 8 PHE QD 2.600 . 4.800 5.302 5.288 5.305 0.505 9 18 "[*** *** +**-********]" 1
193 1 7 PHE HA 1 8 PHE H 2.300 . 3.100 3.352 3.346 3.356 0.256 9 0 "[ . 1 . 2]" 1
194 1 7 PHE QB 1 8 PHE HA 2.600 . 3.900 4.388 4.384 4.403 0.503 8 2 "[ -. + 1 . 2]" 1
195 1 7 PHE QB 1 8 PHE QD 2.400 . 3.800 4.254 4.242 4.259 0.459 11 0 "[ . 1 . 2]" 1
196 1 7 PHE QB 1 8 PHE H 2.400 . 3.200 3.330 3.322 3.333 0.133 12 0 "[ . 1 . 2]" 1
197 1 7 PHE QB 1 8 PHE HZ 2.800 . 7.000 7.479 7.476 7.484 0.484 5 0 "[ . 1 . 2]" 1
198 1 7 PHE QD 1 8 PHE QD 2.900 . 3.900 3.621 3.604 3.626 . 0 0 "[ . 1 . 2]" 1
199 1 7 PHE QD 1 8 PHE HZ 3.000 . 5.800 6.253 6.251 6.257 0.457 5 0 "[ . 1 . 2]" 1
200 1 7 PHE QE 1 8 PHE HA 2.500 . 3.400 2.608 2.599 2.657 . 0 0 "[ . 1 . 2]" 1
201 1 7 PHE QE 1 8 PHE QB 2.600 . 3.800 4.149 4.145 4.156 0.356 8 0 "[ . 1 . 2]" 1
202 1 7 PHE QE 1 8 PHE QD 2.500 . 3.400 2.475 2.446 2.483 . 0 0 "[ . 1 . 2]" 1
203 1 7 PHE QE 1 8 PHE HZ 2.500 . 3.800 4.266 4.261 4.271 0.471 5 0 "[ . 1 . 2]" 1
204 1 7 PHE H 1 8 PHE HA 2.400 . 3.800 3.992 3.990 3.996 0.196 4 0 "[ . 1 . 2]" 1
205 1 7 PHE H 1 8 PHE QB 2.300 . 3.100 3.299 3.295 3.301 0.201 16 0 "[ . 1 . 2]" 1
206 1 7 PHE H 1 8 PHE QD 2.800 . 3.800 3.707 3.704 3.710 . 0 0 "[ . 1 . 2]" 1
207 1 7 PHE H 1 8 PHE H 2.300 . 3.100 1.675 1.671 1.678 . 0 0 "[ . 1 . 2]" 1
208 1 7 PHE H 1 8 PHE HZ 2.900 . 7.400 7.668 7.665 7.672 0.272 9 0 "[ . 1 . 2]" 1
209 1 7 PHE HZ 1 8 PHE HA 2.700 . 3.600 2.574 2.567 2.585 . 0 0 "[ . 1 . 2]" 1
210 1 7 PHE HZ 1 8 PHE QB 2.800 . 3.800 4.235 4.232 4.247 0.447 8 0 "[ . 1 . 2]" 1
211 1 7 PHE HZ 1 8 PHE QD 2.700 . 3.600 2.672 2.669 2.676 . 0 0 "[ . 1 . 2]" 1
212 1 7 PHE HZ 1 8 PHE H 2.600 . 4.000 4.411 4.406 4.417 0.417 8 0 "[ . 1 . 2]" 1
213 1 7 PHE HZ 1 8 PHE HZ 2.600 . 3.500 3.653 3.647 3.679 0.179 4 0 "[ . 1 . 2]" 1
214 1 7 PHE HA 1 9 ARG HA 2.600 . 5.200 5.601 5.594 5.630 0.430 8 0 "[ . 1 . 2]" 1
215 1 7 PHE QB 1 9 ARG HA 2.500 . 6.200 6.713 6.705 6.760 0.560 8 20 [*******+********-***] 1
216 1 7 PHE QE 1 9 ARG HA 2.600 . 4.200 4.782 4.768 4.872 0.672 8 20 [-******+************] 1
217 1 7 PHE QE 1 9 ARG QG 2.600 . 5.900 6.272 6.262 6.339 0.439 4 0 "[ . 1 . 2]" 1
218 1 7 PHE HZ 1 9 ARG HA 2.700 . 5.700 6.194 6.184 6.219 0.519 4 2 "[ +. - 1 . 2]" 1
219 1 7 PHE HZ 1 9 ARG QG 2.500 . 7.000 7.154 7.147 7.185 0.185 4 0 "[ . 1 . 2]" 1
220 1 7 PHE HA 1 10 ASP QB 2.500 . 3.400 2.059 2.009 2.070 . 0 0 "[ . 1 . 2]" 1
221 1 7 PHE HA 1 10 ASP H 2.500 . 3.400 2.963 2.946 3.013 . 0 0 "[ . 1 . 2]" 1
222 1 7 PHE QB 1 10 ASP H 2.500 . 3.800 4.333 4.317 4.411 0.611 8 20 [*******+******-*****] 1
223 1 7 PHE QE 1 10 ASP QB 2.700 . 3.600 3.846 3.835 3.853 0.253 12 0 "[ . 1 . 2]" 1
224 1 7 PHE QE 1 10 ASP H 2.700 . 3.600 3.429 3.420 3.474 . 0 0 "[ . 1 . 2]" 1
225 1 7 PHE HZ 1 10 ASP QB 2.900 . 5.100 5.540 5.515 5.548 0.448 12 0 "[ . 1 . 2]" 1
226 1 7 PHE HZ 1 10 ASP H 3.100 . 4.800 5.160 5.153 5.165 0.365 12 0 "[ . 1 . 2]" 1
227 1 7 PHE HA 1 11 PHE QB 2.400 . 4.200 4.598 4.591 4.611 0.411 4 0 "[ . 1 . 2]" 1
228 1 7 PHE HA 1 11 PHE QE 2.500 . 7.500 7.595 7.592 7.599 0.099 19 0 "[ . 1 . 2]" 1
229 1 7 PHE QB 1 11 PHE QE 2.800 . 5.900 6.339 6.327 6.386 0.486 4 0 "[ . 1 . 2]" 1
230 1 7 PHE QE 1 11 PHE HA 2.500 . 3.400 3.922 3.919 3.924 0.524 6 20 [*****+*-************] 1
231 1 7 PHE QE 1 11 PHE QB 2.500 . 3.400 1.536 1.467 1.549 0.233 8 0 "[ . 1 . 2]" 1
232 1 7 PHE QE 1 11 PHE QE 2.200 . 3.000 3.225 3.217 3.229 0.229 19 0 "[ . 1 . 2]" 1
233 1 7 PHE QE 1 11 PHE H 2.500 . 3.400 2.088 2.065 2.092 . 0 0 "[ . 1 . 2]" 1
234 1 7 PHE H 1 11 PHE QB 2.600 . 5.500 5.899 5.890 5.933 0.433 4 0 "[ . 1 . 2]" 1
235 1 7 PHE HZ 1 11 PHE HA 2.600 . 5.500 6.048 6.043 6.060 0.560 8 20 [****-**+************] 1
236 1 7 PHE HZ 1 11 PHE QB 2.800 . 3.800 3.384 3.374 3.388 . 0 0 "[ . 1 . 2]" 1
237 1 7 PHE HZ 1 11 PHE QE 2.500 . 3.400 2.643 2.634 2.668 . 0 0 "[ . 1 . 2]" 1
238 1 7 PHE HZ 1 11 PHE H 2.800 . 3.800 4.310 4.273 4.316 0.516 13 18 "[*** *** ****+*****-*]" 1
239 1 7 PHE HA 1 12 ILE HA 2.500 . 7.400 7.899 7.879 7.904 0.504 11 11 "[* * *** *-+* . * *]" 1
240 1 7 PHE HA 1 12 ILE MD 2.500 . 4.700 5.169 5.137 5.177 0.477 15 0 "[ . 1 . 2]" 1
241 1 7 PHE HA 1 12 ILE MD 2.500 . 4.600 5.039 5.007 5.047 0.447 15 0 "[ . 1 . 2]" 1
242 1 7 PHE QB 1 12 ILE HB 2.400 . 6.200 6.629 6.614 6.636 0.436 15 0 "[ . 1 . 2]" 1
243 1 7 PHE QB 1 12 ILE MD 2.500 . 4.500 4.981 4.972 4.987 0.487 15 0 "[ . 1 . 2]" 1
244 1 7 PHE QB 1 12 ILE MD 2.700 . 4.400 4.904 4.895 4.910 0.510 15 18 "[-** *** ******+*****]" 1
245 1 7 PHE QD 1 12 ILE MD 2.800 . 3.800 3.608 3.599 3.641 . 0 0 "[ . 1 . 2]" 1
246 1 7 PHE QD 1 12 ILE QG 3.000 . 4.800 5.219 5.212 5.252 0.452 4 0 "[ . 1 . 2]" 1
247 1 7 PHE QD 1 12 ILE MD 2.800 . 3.800 3.581 3.573 3.615 . 0 0 "[ . 1 . 2]" 1
248 1 7 PHE QE 1 12 ILE HA 2.600 . 3.500 3.771 3.762 3.812 0.312 4 0 "[ . 1 . 2]" 1
249 1 7 PHE QE 1 12 ILE HB 2.500 . 3.400 3.415 3.406 3.456 0.056 4 0 "[ . 1 . 2]" 1
250 1 7 PHE QE 1 12 ILE MD 2.500 . 3.400 1.829 1.820 1.868 . 0 0 "[ . 1 . 2]" 1
251 1 7 PHE QE 1 12 ILE QG 2.500 . 3.400 3.808 3.802 3.828 0.428 4 0 "[ . 1 . 2]" 1
252 1 7 PHE QE 1 12 ILE MD 2.500 . 3.400 1.828 1.819 1.867 . 0 0 "[ . 1 . 2]" 1
253 1 7 PHE QE 1 12 ILE H 2.600 . 3.500 2.288 2.274 2.364 . 0 0 "[ . 1 . 2]" 1
254 1 7 PHE H 1 12 ILE MD 2.700 . 4.900 5.342 5.316 5.349 0.449 19 0 "[ . 1 . 2]" 1
255 1 7 PHE HZ 1 12 ILE HA 2.900 . 4.500 4.868 4.858 4.886 0.386 4 0 "[ . 1 . 2]" 1
256 1 7 PHE HZ 1 12 ILE HB 2.800 . 4.200 4.613 4.601 4.617 0.417 12 0 "[ . 1 . 2]" 1
257 1 7 PHE HZ 1 12 ILE MD 2.500 . 3.400 2.038 2.019 2.044 . 0 0 "[ . 1 . 2]" 1
258 1 7 PHE HZ 1 12 ILE QG 2.700 . 3.600 3.953 3.921 3.961 0.361 19 0 "[ . 1 . 2]" 1
259 1 7 PHE HZ 1 12 ILE MD 2.500 . 3.400 2.037 2.019 2.043 . 0 0 "[ . 1 . 2]" 1
260 1 7 PHE HZ 1 12 ILE H 2.900 . 3.900 4.220 4.212 4.266 0.366 15 0 "[ . 1 . 2]" 1
261 1 7 PHE QB 1 13 LEU QD 3.000 . 5.900 6.455 6.255 6.483 0.583 9 18 "[*** *** +*****-*****]" 1
262 1 7 PHE QD 1 13 LEU QD 2.900 . 4.900 5.426 5.075 5.468 0.568 14 18 "[*** *** *****+-*****]" 1
263 1 7 PHE QE 1 13 LEU QD 2.600 . 4.800 5.266 5.060 5.300 0.500 15 0 "[ . 1 . 2]" 1
264 1 7 PHE HZ 1 13 LEU QD 2.600 . 6.200 6.754 6.750 6.774 0.574 4 20 [***+****-***********] 1
265 1 7 PHE QE 1 14 GLN H 3.000 . 4.700 5.129 5.115 5.211 0.511 8 2 "[ -. + 1 . 2]" 1
266 1 7 PHE QD 1 15 ARG QG 2.600 . 5.500 5.907 5.887 5.959 0.459 4 0 "[ . 1 . 2]" 1
267 1 7 PHE QE 1 15 ARG QD . 2.600 4.000 4.213 4.203 4.224 0.224 19 0 "[ . 1 . 2]" 1
268 1 7 PHE QE 1 15 ARG QG 2.500 . 4.000 4.459 4.445 4.494 0.494 4 0 "[ . 1 . 2]" 1
269 1 7 PHE HZ 1 15 ARG QD 2.900 . 4.700 4.368 4.351 4.410 . 0 0 "[ . 1 . 2]" 1
270 1 7 PHE HZ 1 15 ARG QG 2.900 . 4.900 5.334 5.311 5.400 0.500 4 0 "[ . 1 . 2]" 1
271 1 8 PHE HA 1 8 PHE QB 2.300 . 3.100 2.443 2.440 2.445 . 0 0 "[ . 1 . 2]" 1
272 1 8 PHE HA 1 8 PHE QD 2.500 . 3.400 2.323 2.319 2.326 . 0 0 "[ . 1 . 2]" 1
273 1 8 PHE H 1 8 PHE HA 2.300 . 3.100 2.559 2.554 2.563 . 0 0 "[ . 1 . 2]" 1
274 1 8 PHE QB 1 8 PHE QD 2.500 . 3.400 2.098 2.096 2.099 . 0 0 "[ . 1 . 2]" 1
275 1 8 PHE H 1 8 PHE QB 2.300 . 3.100 1.863 1.859 1.867 . 0 0 "[ . 1 . 2]" 1
276 1 8 PHE H 1 8 PHE QD 2.700 . 3.600 2.663 2.660 2.668 . 0 0 "[ . 1 . 2]" 1
277 1 8 PHE H 1 8 PHE HZ 2.600 . 6.100 6.453 6.449 6.459 0.359 8 0 "[ . 1 . 2]" 1
278 1 8 PHE HA 1 9 ARG H 2.400 . 3.200 3.295 3.291 3.321 0.121 4 0 "[ . 1 . 2]" 1
279 1 8 PHE QB 1 9 ARG HA 3.100 . 4.200 4.254 4.247 4.262 0.062 5 0 "[ . 1 . 2]" 1
280 1 8 PHE HA 1 10 ASP QB 2.400 . 4.100 4.551 4.529 4.556 0.456 9 0 "[ . 1 . 2]" 1
281 1 8 PHE HA 1 10 ASP H 2.500 . 3.400 3.420 3.393 3.424 0.024 9 0 "[ . 1 . 2]" 1
282 1 8 PHE QB 1 10 ASP H 2.500 . 4.000 4.487 4.457 4.495 0.495 9 0 "[ . 1 . 2]" 1
283 1 8 PHE QD 1 10 ASP H 2.800 . 4.700 5.219 5.199 5.224 0.524 9 18 "[*** *** +*****-*****]" 1
284 1 8 PHE HZ 1 10 ASP H 3.100 . 7.700 8.070 8.053 8.074 0.374 20 0 "[ . 1 . 2]" 1
285 1 8 PHE HA 1 11 PHE HA 3.100 . 5.800 6.260 6.256 6.273 0.473 4 0 "[ . 1 . 2]" 1
286 1 8 PHE HA 1 11 PHE QB 2.700 . 3.600 4.000 3.998 4.003 0.403 15 0 "[ . 1 . 2]" 1
287 1 8 PHE HA 1 11 PHE QE 2.600 . 4.300 4.752 4.743 4.760 0.460 12 0 "[ . 1 . 2]" 1
288 1 8 PHE QB 1 11 PHE QE 2.600 2.100 5.700 6.192 6.185 6.200 0.500 12 0 "[ . 1 . 2]" 1
289 1 8 PHE QD 1 11 PHE HA 2.800 . 7.300 7.559 7.554 7.576 0.276 8 0 "[ . 1 . 2]" 1
290 1 8 PHE QD 1 11 PHE QB 2.700 . 4.700 5.148 5.142 5.154 0.454 4 0 "[ . 1 . 2]" 1
291 1 8 PHE QD 1 11 PHE QE 2.800 . 4.500 4.949 4.941 4.958 0.458 8 0 "[ . 1 . 2]" 1
292 1 8 PHE QE 1 11 PHE QB 2.900 . 5.000 5.552 5.547 5.555 0.555 4 20 [***+-***************] 1
293 1 8 PHE QE 1 11 PHE QE 2.600 . 3.700 4.003 3.993 4.025 0.325 8 0 "[ . 1 . 2]" 1
294 1 8 PHE HZ 1 11 PHE QB 2.700 . 6.200 6.604 6.599 6.608 0.408 1 0 "[ . 1 . 2]" 1
295 1 8 PHE HZ 1 11 PHE H 3.000 . 7.400 7.580 7.551 7.586 0.186 16 0 "[ . 1 . 2]" 1
296 1 8 PHE HA 1 12 ILE HB 2.700 . 3.600 3.387 3.341 3.398 . 0 0 "[ . 1 . 2]" 1
297 1 8 PHE QD 1 12 ILE HB 2.700 . 3.900 4.329 4.325 4.336 0.436 4 0 "[ . 1 . 2]" 1
298 1 8 PHE QD 1 12 ILE MD 2.700 . 3.600 2.912 2.909 2.915 . 0 0 "[ . 1 . 2]" 1
299 1 8 PHE H 1 12 ILE H 2.300 . 5.100 5.571 5.566 5.607 0.507 15 1 "[ . 1 + 2]" 1
300 1 8 PHE HZ 1 12 ILE MD 2.700 . 3.600 2.959 2.951 2.972 . 0 0 "[ . 1 . 2]" 1
301 1 8 PHE HZ 1 12 ILE QG 2.600 . 3.700 4.013 3.977 4.022 0.322 10 0 "[ . 1 . 2]" 1
302 1 8 PHE HZ 1 12 ILE MD 2.900 . 3.900 2.953 2.945 2.965 . 0 0 "[ . 1 . 2]" 1
303 1 8 PHE HZ 1 12 ILE H 2.900 . 6.300 6.818 6.807 6.859 0.559 15 20 [********-*****+*****] 1
304 1 9 ARG HA 1 9 ARG QB 2.200 . 3.000 2.254 2.250 2.258 . 0 0 "[ . 1 . 2]" 1
305 1 9 ARG HA 1 9 ARG QD 2.400 . 3.300 3.735 3.722 3.741 0.441 9 0 "[ . 1 . 2]" 1
306 1 9 ARG HA 1 9 ARG HE 2.700 . 4.200 4.413 4.403 4.428 0.228 8 0 "[ . 1 . 2]" 1
307 1 9 ARG HA 1 9 ARG QG 2.300 . 3.100 2.731 2.718 2.742 . 0 0 "[ . 1 . 2]" 1
308 1 9 ARG H 1 9 ARG HA 2.300 . 3.100 2.787 2.784 2.794 . 0 0 "[ . 1 . 2]" 1
309 1 9 ARG H 1 9 ARG QB 2.300 . 3.100 2.969 2.960 2.982 . 0 0 "[ . 1 . 2]" 1
310 1 9 ARG QB 1 9 ARG QD 2.300 . 3.100 2.861 2.837 2.870 . 0 0 "[ . 1 . 2]" 1
311 1 9 ARG QB 1 9 ARG HE 2.400 . 3.200 2.002 1.983 2.029 . 0 0 "[ . 1 . 2]" 1
312 1 9 ARG QD 1 9 ARG HE 2.400 . 3.200 2.346 2.343 2.351 . 0 0 "[ . 1 . 2]" 1
313 1 9 ARG QD 1 9 ARG QG 2.300 . 3.100 2.032 2.031 2.033 . 0 0 "[ . 1 . 2]" 1
314 1 9 ARG HE 1 9 ARG QG 2.400 . 3.200 3.184 3.176 3.194 . 0 0 "[ . 1 . 2]" 1
315 1 9 ARG H 1 9 ARG HE 2.800 . 3.800 3.034 3.001 3.085 . 0 0 "[ . 1 . 2]" 1
316 1 9 ARG H 1 9 ARG QG 2.400 . 3.200 3.252 3.236 3.258 0.058 11 0 "[ . 1 . 2]" 1
317 1 9 ARG HA 1 10 ASP HA 2.600 . 3.800 4.174 4.171 4.181 0.381 15 0 "[ . 1 . 2]" 1
318 1 9 ARG HA 1 10 ASP QB 2.600 . 4.200 4.645 4.640 4.668 0.468 8 0 "[ . 1 . 2]" 1
319 1 9 ARG HA 1 10 ASP H 2.400 . 3.200 2.868 2.833 2.882 . 0 0 "[ . 1 . 2]" 1
320 1 9 ARG QB 1 10 ASP HA 2.400 . 3.500 3.873 3.869 3.875 0.375 13 0 "[ . 1 . 2]" 1
321 1 9 ARG QB 1 10 ASP H 2.300 . 3.200 3.612 3.606 3.615 0.415 1 0 "[ . 1 . 2]" 1
322 1 9 ARG QD 1 10 ASP H 2.500 . 3.800 4.053 4.013 4.064 0.264 11 0 "[ . 1 . 2]" 1
323 1 9 ARG HE 1 10 ASP HA 2.900 . 4.900 5.005 4.976 5.019 0.119 16 0 "[ . 1 . 2]" 1
324 1 9 ARG HE 1 10 ASP H 2.900 . 4.300 4.271 4.237 4.309 0.009 4 0 "[ . 1 . 2]" 1
325 1 9 ARG QG 1 10 ASP H 2.500 . 4.000 4.493 4.450 4.498 0.498 19 0 "[ . 1 . 2]" 1
326 1 9 ARG H 1 10 ASP QB 2.400 . 3.200 3.341 3.333 3.345 0.145 18 0 "[ . 1 . 2]" 1
327 1 9 ARG H 1 10 ASP H 2.400 . 3.200 1.867 1.856 1.871 . 0 0 "[ . 1 . 2]" 1
328 1 9 ARG HA 1 11 PHE HA 2.800 . 5.600 5.942 5.935 5.978 0.378 4 0 "[ . 1 . 2]" 1
329 1 9 ARG HA 1 11 PHE QB 2.800 . 5.000 5.416 5.415 5.422 0.422 8 0 "[ . 1 . 2]" 1
330 1 9 ARG QB 1 11 PHE HA 2.500 . 6.500 6.821 6.815 6.835 0.335 4 0 "[ . 1 . 2]" 1
331 1 9 ARG H 1 11 PHE HA 2.800 . 6.400 6.516 6.507 6.549 0.149 4 0 "[ . 1 . 2]" 1
332 1 9 ARG H 1 11 PHE QB 2.600 . 4.800 5.172 5.167 5.205 0.405 4 0 "[ . 1 . 2]" 1
333 1 9 ARG HA 1 12 ILE HB 2.300 . 3.100 2.276 2.267 2.280 . 0 0 "[ . 1 . 2]" 1
334 1 9 ARG HA 1 12 ILE MD 2.500 . 3.400 3.640 3.634 3.658 0.258 8 0 "[ . 1 . 2]" 1
335 1 9 ARG HA 1 12 ILE QG 2.400 . 3.200 2.450 2.331 2.473 . 0 0 "[ . 1 . 2]" 1
336 1 9 ARG HA 1 12 ILE MD 2.500 . 3.400 2.431 2.319 2.453 . 0 0 "[ . 1 . 2]" 1
337 1 9 ARG HA 1 12 ILE H 2.500 . 3.400 3.125 3.115 3.138 . 0 0 "[ . 1 . 2]" 1
338 1 9 ARG QB 1 12 ILE MD 2.500 . 3.400 3.384 3.299 3.399 . 0 0 "[ . 1 . 2]" 1
339 1 9 ARG QD 1 12 ILE MD 2.200 . 4.800 5.190 5.181 5.222 0.422 4 0 "[ . 1 . 2]" 1
340 1 9 ARG QD 1 12 ILE MD 2.800 . 4.100 4.528 4.498 4.539 0.439 1 0 "[ . 1 . 2]" 1
341 1 9 ARG HE 1 12 ILE MD 3.100 . 5.300 5.650 5.622 5.659 0.359 9 0 "[ . 1 . 2]" 1
342 1 9 ARG H 1 12 ILE HA 3.000 . 6.400 6.472 6.466 6.477 0.077 12 0 "[ . 1 . 2]" 1
343 1 9 ARG H 1 12 ILE MD 2.600 . 3.600 4.045 4.042 4.056 0.456 4 0 "[ . 1 . 2]" 1
344 1 9 ARG H 1 12 ILE QG 2.700 . 4.000 4.425 4.370 4.437 0.437 12 0 "[ . 1 . 2]" 1
345 1 9 ARG H 1 12 ILE MD 2.800 . 3.800 3.830 3.818 3.835 0.035 12 0 "[ . 1 . 2]" 1
346 1 9 ARG HA 1 13 LEU HA 2.400 . 4.200 4.746 4.722 4.764 0.564 11 20 [**********+***-*****] 1
347 1 9 ARG HA 1 13 LEU QB 2.400 . 3.200 3.388 2.584 3.480 0.280 5 0 "[ . 1 . 2]" 1
348 1 9 ARG HA 1 13 LEU QD 2.400 . 3.200 2.446 2.343 3.323 0.123 4 0 "[ . 1 . 2]" 1
349 1 9 ARG HA 1 13 LEU HG 2.300 . 5.200 5.359 5.330 5.574 0.374 4 0 "[ . 1 . 2]" 1
350 1 9 ARG HA 1 13 LEU H 2.400 . 3.200 3.151 2.991 3.179 . 0 0 "[ . 1 . 2]" 1
351 1 9 ARG QB 1 13 LEU QD 2.400 . 3.200 2.110 2.063 2.502 . 0 0 "[ . 1 . 2]" 1
352 1 9 ARG QB 1 13 LEU H 2.500 . 3.900 4.359 4.157 4.386 0.486 11 0 "[ . 1 . 2]" 1
353 1 9 ARG QD 1 13 LEU QD 2.500 . 4.600 4.661 4.622 4.977 0.377 4 0 "[ . 1 . 2]" 1
354 1 9 ARG HE 1 13 LEU QD 2.700 . 4.200 4.443 4.427 4.501 0.301 4 0 "[ . 1 . 2]" 1
355 1 9 ARG H 1 13 LEU QB 2.600 . 4.500 5.084 4.847 5.114 0.614 9 18 "[*** *** +*****-*****]" 1
356 1 9 ARG H 1 13 LEU QD 2.600 . 4.100 4.295 4.270 4.504 0.404 4 0 "[ . 1 . 2]" 1
357 1 9 ARG HA 1 14 GLN H 2.600 . 4.700 5.397 5.143 5.430 0.730 11 18 "[*** *** **+***-*****]" 1
358 1 10 ASP HA 1 10 ASP QB 2.300 . 3.100 2.493 2.491 2.502 . 0 0 "[ . 1 . 2]" 1
359 1 10 ASP H 1 10 ASP HA 2.400 . 3.200 2.919 2.907 2.922 . 0 0 "[ . 1 . 2]" 1
360 1 10 ASP H 1 10 ASP QB 2.300 . 3.100 2.042 2.031 2.097 . 0 0 "[ . 1 . 2]" 1
361 1 10 ASP HA 1 11 PHE HA 2.600 . 4.800 4.320 4.306 4.332 . 0 0 "[ . 1 . 2]" 1
362 1 10 ASP HA 1 11 PHE QB 2.700 . 4.300 4.742 4.722 4.746 0.446 19 0 "[ . 1 . 2]" 1
363 1 10 ASP HA 1 11 PHE QE 3.000 . 7.700 8.056 8.023 8.062 0.362 5 0 "[ . 1 . 2]" 1
364 1 10 ASP HA 1 11 PHE H 2.400 . 3.200 3.469 3.462 3.471 0.271 6 0 "[ . 1 . 2]" 1
365 1 10 ASP QB 1 11 PHE HA 2.500 . 3.400 3.600 3.595 3.618 0.218 8 0 "[ . 1 . 2]" 1
366 1 10 ASP QB 1 11 PHE QB 2.600 . 3.500 3.130 3.117 3.151 . 0 0 "[ . 1 . 2]" 1
367 1 10 ASP QB 1 11 PHE QE 2.700 . 6.000 6.382 6.372 6.389 0.389 4 0 "[ . 1 . 2]" 1
368 1 10 ASP QB 1 11 PHE H 2.400 . 3.200 2.425 2.417 2.480 . 0 0 "[ . 1 . 2]" 1
369 1 10 ASP H 1 11 PHE HA 2.600 . 4.400 4.690 4.684 4.717 0.317 4 0 "[ . 1 . 2]" 1
370 1 10 ASP H 1 11 PHE QB 2.600 . 3.500 3.735 3.729 3.757 0.257 8 0 "[ . 1 . 2]" 1
371 1 10 ASP H 1 11 PHE QE 2.800 . 6.000 6.517 6.503 6.522 0.522 15 20 [***-**********+*****] 1
372 1 10 ASP H 1 11 PHE H 2.400 . 3.200 2.157 2.150 2.185 . 0 0 "[ . 1 . 2]" 1
373 1 10 ASP HA 1 12 ILE HA 2.900 . 6.400 6.516 6.476 6.522 0.122 18 0 "[ . 1 . 2]" 1
374 1 10 ASP HA 1 12 ILE MD 2.800 . 5.100 5.519 5.485 5.529 0.429 19 0 "[ . 1 . 2]" 1
375 1 10 ASP HA 1 12 ILE MD 2.900 . 4.500 4.847 4.840 4.850 0.350 1 0 "[ . 1 . 2]" 1
376 1 10 ASP HA 1 12 ILE H 2.600 . 3.800 4.196 4.152 4.205 0.405 6 0 "[ . 1 . 2]" 1
377 1 10 ASP QB 1 12 ILE HB 2.400 . 4.600 5.047 5.007 5.054 0.454 1 0 "[ . 1 . 2]" 1
378 1 10 ASP QB 1 12 ILE H 2.600 . 3.500 3.863 3.855 3.869 0.369 4 0 "[ . 1 . 2]" 1
379 1 10 ASP H 1 12 ILE HA 2.900 . 5.100 5.450 5.400 5.467 0.367 15 0 "[ . 1 . 2]" 1
380 1 10 ASP H 1 12 ILE MD 2.900 . 3.900 3.531 3.487 3.545 . 0 0 "[ . 1 . 2]" 1
381 1 10 ASP H 1 12 ILE QG 2.800 . 4.000 4.320 4.248 4.336 0.336 15 0 "[ . 1 . 2]" 1
382 1 10 ASP H 1 12 ILE MD 3.000 . 4.000 3.423 3.378 3.437 . 0 0 "[ . 1 . 2]" 1
383 1 10 ASP H 1 12 ILE H 2.600 . 3.500 2.796 2.768 2.814 . 0 0 "[ . 1 . 2]" 1
384 1 10 ASP HA 1 13 LEU QB 2.400 . 3.200 2.838 2.732 3.734 0.534 8 2 "[ -. + 1 . 2]" 1
385 1 10 ASP HA 1 13 LEU QD 2.500 . 3.400 2.251 2.113 2.272 . 0 0 "[ . 1 . 2]" 1
386 1 10 ASP HA 1 13 LEU HG 2.400 . 4.500 5.001 4.915 5.015 0.515 6 17 "[*** *+* ***-**.*****]" 1
387 1 10 ASP QB 1 13 LEU QD 2.800 . 3.600 3.974 3.633 4.016 0.416 5 0 "[ . 1 . 2]" 1
388 1 10 ASP H 1 13 LEU HA 2.500 . 6.000 6.344 6.318 6.548 0.548 8 2 "[ -. + 1 . 2]" 1
389 1 10 ASP H 1 13 LEU QB 2.700 . 3.600 3.947 3.919 4.181 0.581 8 2 "[ -. + 1 . 2]" 1
390 1 10 ASP H 1 13 LEU QD 2.800 . 3.800 3.817 3.675 3.839 0.039 15 0 "[ . 1 . 2]" 1
391 1 10 ASP HA 1 14 GLN HA 2.600 . 6.400 6.735 6.629 6.797 0.397 11 0 "[ . 1 . 2]" 1
392 1 10 ASP HA 1 14 GLN QE 2.900 . 3.900 4.200 3.789 4.293 0.393 4 0 "[ . 1 . 2]" 1
393 1 10 ASP HA 1 14 GLN H 2.500 . 4.100 4.604 4.531 4.635 0.535 11 17 "[*** *** **+-**.*****]" 1
394 1 10 ASP QB 1 14 GLN H 2.700 . 4.800 5.007 4.988 5.124 0.324 8 0 "[ . 1 . 2]" 1
395 1 10 ASP H 1 14 GLN QB 2.300 . 6.300 6.583 6.383 6.622 0.322 11 0 "[ . 1 . 2]" 1
396 1 10 ASP H 1 14 GLN H 3.000 . 4.900 5.372 5.281 5.394 0.494 11 0 "[ . 1 . 2]" 1
397 1 11 PHE HA 1 11 PHE QB 2.300 . 3.100 2.240 2.220 2.244 . 0 0 "[ . 1 . 2]" 1
398 1 11 PHE HA 1 11 PHE QE 2.400 . 4.800 5.083 5.080 5.092 0.292 15 0 "[ . 1 . 2]" 1
399 1 11 PHE H 1 11 PHE HA 2.300 . 3.100 2.792 2.787 2.806 . 0 0 "[ . 1 . 2]" 1
400 1 11 PHE H 1 11 PHE QB 2.400 . 3.200 1.856 1.837 1.861 . 0 0 "[ . 1 . 2]" 1
401 1 11 PHE H 1 11 PHE QE 2.500 . 4.600 5.046 5.006 5.052 0.452 13 0 "[ . 1 . 2]" 1
402 1 11 PHE HA 1 12 ILE HA 2.600 . 4.100 4.376 4.368 4.400 0.300 8 0 "[ . 1 . 2]" 1
403 1 11 PHE HA 1 12 ILE MD 2.500 . 4.000 4.367 4.360 4.377 0.377 8 0 "[ . 1 . 2]" 1
404 1 11 PHE HA 1 12 ILE MD 2.700 . 3.900 4.222 4.215 4.242 0.342 8 0 "[ . 1 . 2]" 1
405 1 11 PHE HA 1 12 ILE H 2.400 . 3.200 3.337 3.319 3.346 0.146 4 0 "[ . 1 . 2]" 1
406 1 11 PHE QB 1 12 ILE HA 2.600 . 3.800 4.135 4.098 4.143 0.343 12 0 "[ . 1 . 2]" 1
407 1 11 PHE QB 1 12 ILE HB 2.500 . 3.900 4.324 4.265 4.334 0.434 12 0 "[ . 1 . 2]" 1
408 1 11 PHE QB 1 12 ILE MD 2.600 . 3.500 2.935 2.896 2.947 . 0 0 "[ . 1 . 2]" 1
409 1 11 PHE QB 1 12 ILE QG 2.500 . 4.200 4.565 4.533 4.573 0.373 15 0 "[ . 1 . 2]" 1
410 1 11 PHE QB 1 12 ILE MD 2.700 . 3.600 2.922 2.884 2.934 . 0 0 "[ . 1 . 2]" 1
411 1 11 PHE QB 1 12 ILE H 2.400 . 3.200 2.774 2.752 2.801 . 0 0 "[ . 1 . 2]" 1
412 1 11 PHE QE 1 12 ILE HA 2.600 . 3.500 3.873 3.846 3.890 0.390 11 0 "[ . 1 . 2]" 1
413 1 11 PHE QE 1 12 ILE HB 2.600 . 4.700 5.123 5.084 5.132 0.432 11 0 "[ . 1 . 2]" 1
414 1 11 PHE QE 1 12 ILE MD 2.500 . 3.400 2.096 2.056 2.105 . 0 0 "[ . 1 . 2]" 1
415 1 11 PHE QE 1 12 ILE QG 2.600 . 3.500 3.724 3.654 3.736 0.236 20 0 "[ . 1 . 2]" 1
416 1 11 PHE QE 1 12 ILE MD 2.600 . 3.500 2.095 2.055 2.104 . 0 0 "[ . 1 . 2]" 1
417 1 11 PHE QE 1 12 ILE H 2.500 . 4.100 4.601 4.593 4.636 0.536 15 8 "[* - * *1* * + *]" 1
418 1 11 PHE H 1 12 ILE QG 2.600 . 3.900 4.355 4.320 4.361 0.461 11 0 "[ . 1 . 2]" 1
419 1 11 PHE HA 1 13 LEU QD 3.000 . 3.900 4.451 3.439 4.566 0.666 14 18 "[*** *** *****+-*****]" 1
420 1 11 PHE QE 1 13 LEU HA 2.800 . 7.300 7.858 7.739 7.889 0.589 11 18 "[*** *** **+*******-*]" 1
421 1 11 PHE QE 1 13 LEU QB 3.100 . 6.700 6.876 6.817 7.305 0.605 4 2 "[ +. - 1 . 2]" 1
422 1 11 PHE HA 1 14 GLN QE 2.800 . 4.200 4.527 4.440 4.805 0.605 4 2 "[ +. - 1 . 2]" 1
423 1 11 PHE HA 1 14 GLN QG 3.000 . 3.400 2.605 2.475 3.553 0.153 15 0 "[ . 1 . 2]" 1
424 1 11 PHE HA 1 14 GLN H 2.600 . 3.500 2.431 2.389 2.749 . 0 0 "[ . 1 . 2]" 1
425 1 11 PHE QB 1 14 GLN H 2.800 . 3.800 4.161 4.139 4.331 0.531 8 2 "[ -. + 1 . 2]" 1
426 1 11 PHE QE 1 14 GLN H 2.700 . 5.600 5.963 5.944 6.088 0.488 4 0 "[ . 1 . 2]" 1
427 1 11 PHE HA 1 15 ARG QD 2.800 . 4.800 5.295 5.264 5.304 0.504 19 4 "[ .* 1 - .* +2]" 1
428 1 11 PHE HA 1 15 ARG QG 2.600 . 3.500 3.993 3.977 4.000 0.500 9 0 "[ . 1 . 2]" 1
429 1 11 PHE QB 1 15 ARG QG 2.500 . 3.500 4.045 4.027 4.051 0.551 12 20 [***-*******+********] 1
430 1 11 PHE QE 1 15 ARG QB 2.900 . 4.200 4.654 4.639 4.671 0.471 12 0 "[ . 1 . 2]" 1
431 1 11 PHE QE 1 15 ARG QD 2.500 . 3.400 2.352 2.336 2.362 . 0 0 "[ . 1 . 2]" 1
432 1 11 PHE QE 1 15 ARG QG 2.600 . 3.400 2.991 2.983 3.011 . 0 0 "[ . 1 . 2]" 1
433 1 12 ILE HA 1 12 ILE HB 2.300 . 3.100 2.735 2.729 2.738 . 0 0 "[ . 1 . 2]" 1
434 1 12 ILE HA 1 12 ILE MD 2.300 . 3.100 2.143 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
435 1 12 ILE HA 1 12 ILE QG 2.300 . 3.100 2.210 2.207 2.219 . 0 0 "[ . 1 . 2]" 1
436 1 12 ILE HA 1 12 ILE MD 2.300 . 3.100 2.097 2.093 2.114 . 0 0 "[ . 1 . 2]" 1
437 1 12 ILE H 1 12 ILE HA 2.400 . 3.200 2.686 2.672 2.688 . 0 0 "[ . 1 . 2]" 1
438 1 12 ILE HB 1 12 ILE MD 2.300 . 3.100 1.961 1.958 1.964 . 0 0 "[ . 1 . 2]" 1
439 1 12 ILE HB 1 12 ILE MD 2.300 . 3.100 1.821 1.819 1.823 . 0 0 "[ . 1 . 2]" 1
440 1 12 ILE H 1 12 ILE HB 2.200 . 3.000 1.834 1.808 1.845 . 0 0 "[ . 1 . 2]" 1
441 1 12 ILE H 1 12 ILE MD 2.400 . 3.200 2.035 2.023 2.082 . 0 0 "[ . 1 . 2]" 1
442 1 12 ILE H 1 12 ILE QG 2.400 . 3.200 3.086 3.083 3.096 . 0 0 "[ . 1 . 2]" 1
443 1 12 ILE H 1 12 ILE MD 2.400 . 3.200 2.019 2.008 2.063 . 0 0 "[ . 1 . 2]" 1
444 1 12 ILE HA 1 13 LEU HA 2.600 . 3.900 4.497 4.276 4.532 0.632 11 18 "[*** -** **+*********]" 1
445 1 12 ILE HA 1 13 LEU QB 2.400 . 4.200 4.466 4.435 4.500 0.300 4 0 "[ . 1 . 2]" 1
446 1 12 ILE HA 1 13 LEU QD 2.600 . 3.900 4.403 4.383 4.524 0.624 4 3 "[ +. * 1 - 2]" 1
447 1 12 ILE HA 1 13 LEU H 2.400 . 3.200 3.208 3.187 3.275 0.075 4 0 "[ . 1 . 2]" 1
448 1 12 ILE HB 1 13 LEU HA 2.200 . 4.000 4.604 4.479 4.638 0.638 11 18 "[*** *** **+***-*****]" 1
449 1 12 ILE HB 1 13 LEU QD 2.400 . 3.200 3.282 3.201 3.956 0.756 8 2 "[ -. + 1 . 2]" 1
450 1 12 ILE HB 1 13 LEU H 2.300 . 3.100 2.753 2.696 2.772 . 0 0 "[ . 1 . 2]" 1
451 1 12 ILE MD 1 13 LEU HA 2.600 . 5.000 5.536 5.420 5.564 0.564 11 18 "[*** *** **+***-*****]" 1
452 1 12 ILE MD 1 13 LEU QB 2.500 . 4.200 4.687 4.667 4.692 0.492 2 0 "[ . 1 . 2]" 1
453 1 12 ILE MD 1 13 LEU H 2.500 . 3.400 3.809 3.794 3.892 0.492 8 0 "[ . 1 . 2]" 1
454 1 12 ILE QG 1 13 LEU H 2.500 . 3.400 2.694 2.589 2.725 . 0 0 "[ . 1 . 2]" 1
455 1 12 ILE MD 1 13 LEU HA 2.400 . 3.200 2.915 2.647 2.976 . 0 0 "[ . 1 . 2]" 1
456 1 12 ILE MD 1 13 LEU QB 2.500 . 3.200 3.275 2.356 3.384 0.184 11 0 "[ . 1 . 2]" 1
457 1 12 ILE MD 1 13 LEU HG 2.500 . 4.300 4.388 4.345 4.731 0.431 8 0 "[ . 1 . 2]" 1
458 1 12 ILE MD 1 13 LEU H 2.400 . 3.200 2.662 2.570 2.689 . 0 0 "[ . 1 . 2]" 1
459 1 12 ILE H 1 13 LEU QB 2.500 . 3.400 3.313 3.205 3.618 0.218 8 0 "[ . 1 . 2]" 1
460 1 12 ILE H 1 13 LEU QD 2.600 . 3.500 3.587 3.362 3.615 0.115 12 0 "[ . 1 . 2]" 1
461 1 12 ILE HA 1 14 GLN QE 3.000 . 7.000 6.896 6.833 7.263 0.263 15 0 "[ . 1 . 2]" 1
462 1 12 ILE HA 1 14 GLN H 2.500 . 3.400 3.675 3.572 3.691 0.291 16 0 "[ . 1 . 2]" 1
463 1 12 ILE MD 1 14 GLN H 2.700 . 4.200 4.655 4.624 4.662 0.462 19 0 "[ . 1 . 2]" 1
464 1 12 ILE MD 1 14 GLN QG 2.700 . 4.800 5.249 5.208 5.331 0.531 15 1 "[ . 1 + 2]" 1
465 1 12 ILE MD 1 14 GLN H 2.500 . 3.600 4.025 3.921 4.039 0.439 16 0 "[ . 1 . 2]" 1
466 1 12 ILE H 1 14 GLN QG 2.400 . 4.400 4.910 4.827 5.357 0.957 15 2 "[ . 1 + -2]" 1
467 1 12 ILE HA 1 15 ARG QB 2.500 . 3.400 3.330 3.312 3.377 . 0 0 "[ . 1 . 2]" 1
468 1 12 ILE HA 1 15 ARG QD 2.600 . 3.400 2.203 2.184 2.216 . 0 0 "[ . 1 . 2]" 1
469 1 12 ILE HA 1 15 ARG QG 2.300 . 3.100 2.193 2.188 2.212 . 0 0 "[ . 1 . 2]" 1
470 1 12 ILE HA 1 15 ARG H 2.500 . 3.400 3.212 3.146 3.231 . 0 0 "[ . 1 . 2]" 1
471 1 12 ILE MD 1 15 ARG QD 2.600 2.200 3.500 2.169 2.159 2.194 0.041 20 0 "[ . 1 . 2]" 1
472 1 12 ILE MD 1 15 ARG QG 2.300 . 3.100 3.146 3.137 3.192 0.092 4 0 "[ . 1 . 2]" 1
473 1 12 ILE MD 1 15 ARG QD 2.800 . 3.800 2.154 2.144 2.178 . 0 0 "[ . 1 . 2]" 1
474 1 12 ILE MD 1 15 ARG QG 2.300 . 3.100 3.086 3.077 3.129 0.029 4 0 "[ . 1 . 2]" 1
475 1 12 ILE HA 1 16 LYS H 2.900 . 3.900 4.159 4.083 4.180 0.280 8 0 "[ . 1 . 2]" 1
476 1 12 ILE MD 1 16 LYS HA 2.900 . 5.600 6.060 6.043 6.117 0.517 15 1 "[ . 1 + 2]" 1
477 1 12 ILE MD 1 16 LYS QB 2.800 . 4.300 4.719 4.695 4.794 0.494 15 0 "[ . 1 . 2]" 1
478 1 12 ILE MD 1 16 LYS QE 2.700 . 3.600 3.878 3.702 3.914 0.314 12 0 "[ . 1 . 2]" 1
479 1 12 ILE MD 1 16 LYS QG 2.600 . 3.500 2.974 2.962 3.032 . 0 0 "[ . 1 . 2]" 1
480 1 12 ILE MD 1 16 LYS H 2.900 . 3.900 4.177 4.131 4.188 0.288 15 0 "[ . 1 . 2]" 1
481 1 13 LEU HA 1 13 LEU QB 2.300 . 3.000 2.486 2.148 2.529 . 0 0 "[ . 1 . 2]" 1
482 1 13 LEU HA 1 13 LEU QD 2.400 . 3.000 2.235 2.109 3.242 0.242 8 0 "[ . 1 . 2]" 1
483 1 13 LEU HA 1 13 LEU HG 2.300 . 3.100 2.532 2.431 3.351 0.251 4 0 "[ . 1 . 2]" 1
484 1 13 LEU H 1 13 LEU HA 2.300 . 3.100 2.615 2.588 2.702 . 0 0 "[ . 1 . 2]" 1
485 1 13 LEU QB 1 13 LEU QD 2.300 . 3.000 1.821 1.815 1.841 . 0 0 "[ . 1 . 2]" 1
486 1 13 LEU H 1 13 LEU QB 2.300 . 3.100 1.485 1.462 1.618 0.038 11 0 "[ . 1 . 2]" 1
487 1 13 LEU H 1 13 LEU QD 2.400 . 3.200 2.149 1.844 2.195 . 0 0 "[ . 1 . 2]" 1
488 1 13 LEU H 1 13 LEU HG 2.300 . 3.400 3.855 3.788 3.865 0.465 12 0 "[ . 1 . 2]" 1
489 1 13 LEU HA 1 14 GLN H 2.300 . 3.100 3.364 3.339 3.442 0.342 4 0 "[ . 1 . 2]" 1
490 1 13 LEU QB 1 14 GLN H 2.300 . 3.100 2.485 2.334 3.395 0.295 4 0 "[ . 1 . 2]" 1
491 1 13 LEU QB 1 14 GLN QG 2.400 . 4.100 2.766 1.978 4.496 0.396 4 0 "[ . 1 . 2]" 1
492 1 13 LEU QD 1 14 GLN HA 2.300 . 4.100 4.623 3.286 4.809 0.709 11 18 "[*** *** **+***-*****]" 1
493 1 13 LEU QD 1 14 GLN QE 3.100 . 4.000 2.597 1.748 2.738 0.252 8 0 "[ . 1 . 2]" 1
494 1 13 LEU QD 1 14 GLN QG 2.700 . 3.500 3.443 2.044 3.640 0.140 11 0 "[ . 1 . 2]" 1
495 1 13 LEU QD 1 14 GLN H 2.500 . 3.400 3.516 2.233 3.662 0.262 17 0 "[ . 1 . 2]" 1
496 1 13 LEU HG 1 14 GLN HA 2.500 . 4.400 5.080 4.380 5.203 0.803 11 18 "[*** *** **+***-*****]" 1
497 1 13 LEU HG 1 14 GLN QE 2.500 . 3.400 3.594 3.319 4.193 0.793 15 1 "[ . 1 + 2]" 1
498 1 13 LEU HG 1 14 GLN H 2.300 . 3.900 4.507 4.063 4.562 0.662 12 18 "[*** *** ***+**-*****]" 1
499 1 13 LEU H 1 14 GLN QG 2.400 . 3.800 3.993 3.955 4.038 0.238 4 0 "[ . 1 . 2]" 1
500 1 13 LEU H 1 14 GLN H 2.300 . 3.100 2.305 2.235 2.317 . 0 0 "[ . 1 . 2]" 1
501 1 13 LEU QD 1 15 ARG QD 2.700 . 5.100 5.491 5.469 5.630 0.530 8 2 "[ -. + 1 . 2]" 1
502 1 13 LEU QD 1 15 ARG QG 2.500 . 4.900 5.363 5.013 5.436 0.536 15 9 "[ * * - ** +* * *]" 1
503 1 13 LEU HA 1 16 LYS QE 2.600 . 3.500 2.225 2.214 2.279 . 0 0 "[ . 1 . 2]" 1
504 1 13 LEU HA 1 16 LYS H 2.600 . 3.500 3.566 3.301 3.663 0.163 15 0 "[ . 1 . 2]" 1
505 1 13 LEU QD 1 16 LYS QE 2.800 . 3.600 2.831 2.707 3.807 0.207 8 0 "[ . 1 . 2]" 1
506 1 13 LEU QD 1 16 LYS H 3.000 . 4.300 4.841 4.796 4.898 0.598 15 18 "[*** *** **-***+*****]" 1
507 1 14 GLN HA 1 14 GLN QB 2.300 . 3.100 2.399 2.393 2.414 . 0 0 "[ . 1 . 2]" 1
508 1 14 GLN HA 1 14 GLN QE 2.700 . 3.600 3.257 3.183 4.091 0.491 15 0 "[ . 1 . 2]" 1
509 1 14 GLN HA 1 14 GLN QG 2.500 . 3.100 2.995 2.105 3.098 . 0 0 "[ . 1 . 2]" 1
510 1 14 GLN H 1 14 GLN HA 2.300 . 3.100 2.985 2.949 3.044 . 0 0 "[ . 1 . 2]" 1
511 1 14 GLN QB 1 14 GLN QE 2.700 . 3.600 3.657 3.517 3.691 0.091 11 0 "[ . 1 . 2]" 1
512 1 14 GLN H 1 14 GLN QB 2.300 . 3.100 2.591 2.483 2.614 . 0 0 "[ . 1 . 2]" 1
513 1 14 GLN QE 1 14 GLN QG 2.600 . 3.200 2.104 1.860 2.127 . 0 0 "[ . 1 . 2]" 1
514 1 14 GLN H 1 14 GLN QE 2.800 . 3.800 3.616 3.543 4.058 0.258 15 0 "[ . 1 . 2]" 1
515 1 14 GLN H 1 14 GLN QG 2.500 . 3.100 2.473 2.454 2.577 . 0 0 "[ . 1 . 2]" 1
516 1 14 GLN HA 1 16 LYS H 2.600 . 3.500 3.825 3.659 3.906 0.406 11 0 "[ . 1 . 2]" 1
517 1 14 GLN QB 1 16 LYS H 2.900 . 4.200 4.776 4.659 4.851 0.651 15 18 "[*** *** ****-*+*****]" 1
518 1 14 GLN H 1 16 LYS QE 2.300 . 4.600 5.091 5.068 5.185 0.585 11 3 "[ *. - 1+ . 2]" 1
519 1 14 GLN HA 1 17 LYS QG 2.700 . 3.600 3.677 3.460 4.709 1.109 11 1 "[ . 1+ . 2]" 1
520 1 14 GLN HA 1 17 LYS H 2.800 . 4.100 4.529 4.218 4.600 0.500 12 1 "[ . 1 + . 2]" 1
521 1 14 GLN QE 1 17 LYS HA 3.000 . 4.600 4.860 4.603 5.752 1.152 15 1 "[ . 1 + 2]" 1
522 1 14 GLN QG 1 17 LYS HA 2.500 . 5.500 5.808 3.850 5.952 0.452 10 0 "[ . 1 . 2]" 1
523 1 15 ARG HA 1 15 ARG QB 2.300 . 3.100 2.291 2.282 2.300 . 0 0 "[ . 1 . 2]" 1
524 1 15 ARG HA 1 15 ARG QD 2.500 . 3.700 4.258 4.252 4.274 0.574 11 20 [***-******+*********] 1
525 1 15 ARG HA 1 15 ARG HE 2.800 . 3.800 4.248 4.234 4.303 0.503 4 2 "[ +. - 1 . 2]" 1
526 1 15 ARG HA 1 15 ARG QG 2.400 . 3.000 2.696 2.687 2.723 . 0 0 "[ . 1 . 2]" 1
527 1 15 ARG H 1 15 ARG HA 2.300 . 3.100 2.893 2.890 2.900 . 0 0 "[ . 1 . 2]" 1
528 1 15 ARG QB 1 15 ARG QD 2.400 . 3.000 2.087 2.073 2.099 . 0 0 "[ . 1 . 2]" 1
529 1 15 ARG H 1 15 ARG QB 2.400 . 3.100 2.561 2.553 2.596 . 0 0 "[ . 1 . 2]" 1
530 1 15 ARG QB 1 15 ARG HE 2.600 . 3.500 2.243 2.233 2.253 . 0 0 "[ . 1 . 2]" 1
531 1 15 ARG QD 1 15 ARG HE 2.500 . 3.400 2.582 2.581 2.584 . 0 0 "[ . 1 . 2]" 1
532 1 15 ARG H 1 15 ARG QD 2.500 . 3.400 3.641 3.572 3.653 0.253 12 0 "[ . 1 . 2]" 1
533 1 15 ARG HE 1 15 ARG QG 2.400 . 3.200 2.406 2.397 2.415 . 0 0 "[ . 1 . 2]" 1
534 1 15 ARG H 1 15 ARG QG 2.300 . 3.100 2.393 2.385 2.409 . 0 0 "[ . 1 . 2]" 1
535 1 15 ARG HA 1 16 LYS HA 2.600 . 3.900 4.334 4.308 4.347 0.447 15 0 "[ . 1 . 2]" 1
536 1 15 ARG HA 1 16 LYS QG 2.600 . 4.500 5.009 4.994 5.017 0.517 12 18 "[*** *** -**+********]" 1
537 1 15 ARG HA 1 16 LYS H 2.300 . 3.100 3.454 3.415 3.474 0.374 15 0 "[ . 1 . 2]" 1
538 1 15 ARG QB 1 16 LYS HA 2.600 . 3.500 3.833 3.818 3.869 0.369 11 0 "[ . 1 . 2]" 1
539 1 15 ARG QB 1 16 LYS H 2.500 . 3.400 2.516 2.500 2.527 . 0 0 "[ . 1 . 2]" 1
540 1 15 ARG QD 1 16 LYS H 2.800 . 3.800 4.121 4.066 4.136 0.336 12 0 "[ . 1 . 2]" 1
541 1 15 ARG QG 1 16 LYS H 2.500 . 3.200 3.624 3.575 3.663 0.463 4 0 "[ . 1 . 2]" 1
542 1 15 ARG QG 1 16 LYS HA 2.600 . 5.300 5.603 5.593 5.629 0.329 4 0 "[ . 1 . 2]" 1
543 1 15 ARG H 1 16 LYS HA 2.600 . 4.100 4.359 4.300 4.391 0.291 4 0 "[ . 1 . 2]" 1
544 1 15 ARG H 1 16 LYS QB 2.800 . 4.200 4.617 4.604 4.635 0.435 11 0 "[ . 1 . 2]" 1
545 1 15 ARG H 1 16 LYS H 2.400 . 3.200 1.683 1.656 1.699 . 0 0 "[ . 1 . 2]" 1
546 1 15 ARG HA 1 17 LYS H 2.600 . 3.900 4.397 4.374 4.485 0.585 11 7 "[- *. * 1+* * *2]" 1
547 1 15 ARG QG 1 17 LYS H 2.500 . 6.000 6.150 6.132 6.183 0.183 8 0 "[ . 1 . 2]" 1
548 1 16 LYS HA 1 16 LYS QB 2.300 . 3.100 2.188 2.186 2.196 . 0 0 "[ . 1 . 2]" 1
549 1 16 LYS HA 1 16 LYS QE 2.900 . 3.900 4.328 4.266 4.340 0.440 1 0 "[ . 1 . 2]" 1
550 1 16 LYS HA 1 16 LYS QG 2.400 . 3.200 3.297 3.295 3.309 0.109 11 0 "[ . 1 . 2]" 1
551 1 16 LYS H 1 16 LYS HA 2.400 . 3.200 2.927 2.915 2.934 . 0 0 "[ . 1 . 2]" 1
552 1 16 LYS QB 1 16 LYS QE 2.600 . 3.400 2.511 2.436 2.538 . 0 0 "[ . 1 . 2]" 1
553 1 16 LYS H 1 16 LYS QB 2.400 . 3.200 3.157 3.148 3.197 . 0 0 "[ . 1 . 2]" 1
554 1 16 LYS H 1 16 LYS QD 2.400 . 3.800 4.162 4.154 4.200 0.400 11 0 "[ . 1 . 2]" 1
555 1 16 LYS QE 1 16 LYS QG 2.400 . 3.200 2.284 2.277 2.320 . 0 0 "[ . 1 . 2]" 1
556 1 16 LYS H 1 16 LYS QE 2.900 . 3.900 3.798 3.759 3.842 . 0 0 "[ . 1 . 2]" 1
557 1 16 LYS H 1 16 LYS QG 2.500 . 3.400 1.939 1.931 1.974 . 0 0 "[ . 1 . 2]" 1
558 1 16 LYS HA 1 17 LYS HA 2.600 . 3.900 4.313 4.295 4.346 0.446 15 0 "[ . 1 . 2]" 1
559 1 16 LYS HA 1 17 LYS QD 2.400 . 3.200 3.468 3.421 3.626 0.426 11 0 "[ . 1 . 2]" 1
560 1 16 LYS HA 1 17 LYS QG 2.600 . 3.500 3.619 3.570 3.713 0.213 12 0 "[ . 1 . 2]" 1
561 1 16 LYS HA 1 17 LYS H 2.300 . 3.100 2.095 2.079 2.116 . 0 0 "[ . 1 . 2]" 1
562 1 16 LYS QB 1 17 LYS H 2.500 . 3.400 3.702 3.688 3.725 0.325 15 0 "[ . 1 . 2]" 1
563 1 16 LYS QE 1 17 LYS HA 2.500 . 3.700 4.191 4.075 4.248 0.548 12 7 "[* *-* 1 + * *2]" 1
564 1 16 LYS QE 1 17 LYS QG 2.500 . 5.300 5.792 5.702 5.878 0.578 11 12 "[ **. ***+ *-**** 2]" 1
565 1 16 LYS QG 1 17 LYS H 2.500 . 4.000 4.473 4.469 4.489 0.489 11 0 "[ . 1 . 2]" 1
566 1 16 LYS H 1 17 LYS H 2.400 . 3.300 3.777 3.729 3.801 0.501 12 1 "[ . 1 + . 2]" 1
567 1 17 LYS HA 1 17 LYS QB 2.400 . 3.100 2.217 2.204 2.260 . 0 0 "[ . 1 . 2]" 1
568 1 17 LYS HA 1 17 LYS QG 2.400 . 3.200 3.123 2.881 3.382 0.182 11 0 "[ . 1 . 2]" 1
569 1 17 LYS H 1 17 LYS HA 2.400 . 3.200 2.874 2.847 2.899 . 0 0 "[ . 1 . 2]" 1
570 1 17 LYS H 1 17 LYS QB 2.400 . 3.100 3.021 2.889 3.057 . 0 0 "[ . 1 . 2]" 1
571 1 17 LYS H 1 17 LYS QD 2.700 . 3.600 2.040 2.003 2.325 . 0 0 "[ . 1 . 2]" 1
572 1 17 LYS H 1 17 LYS QG 2.400 . 3.200 1.939 1.827 2.053 . 0 0 "[ . 1 . 2]" 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 12
_Distance_constraint_stats_list.Viol_count 142
_Distance_constraint_stats_list.Viol_total 1804.750
_Distance_constraint_stats_list.Viol_max 1.239
_Distance_constraint_stats_list.Viol_rms 0.3868
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3760
_Distance_constraint_stats_list.Viol_average_violations_only 0.6355
_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 6 ALA 36.653 1.239 1 20 [+******-************]
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 25.835 0.865 8 20 [*******+*******-****]
1 9 ARG 20.689 0.662 19 20 [***-**************+*]
1 10 ASP 43.714 1.239 1 20 [+**-****************]
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 25.835 0.865 8 20 [*******+*******-****]
1 13 LEU 20.689 0.662 19 20 [***-**************+*]
1 14 GLN 7.060 0.558 8 2 "[ -. + 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 ALA O 1 10 ASP H 1.900 . 2.500 3.732 3.714 3.739 1.239 1 20 [+******-************] 2
2 1 6 ALA O 1 10 ASP N 2.900 2.400 3.600 4.201 4.167 4.211 0.611 12 20 [*******-***+********] 2
3 1 7 PHE O 1 11 PHE H 1.900 . 2.500 2.235 2.207 2.250 . 0 0 "[ . 1 . 2]" 2
4 1 7 PHE O 1 11 PHE N 2.900 2.400 3.600 3.147 3.112 3.164 . 0 0 "[ . 1 . 2]" 2
5 1 8 PHE O 1 12 ILE H 1.900 . 2.500 3.340 3.333 3.365 0.865 8 20 [*******+*******-****] 2
6 1 8 PHE O 1 12 ILE N 2.900 2.400 3.600 4.052 4.046 4.071 0.471 8 0 "[ . 1 . 2]" 2
7 1 9 ARG O 1 13 LEU H 1.900 . 2.500 3.149 3.063 3.162 0.662 19 20 [***-**************+*] 2
8 1 9 ARG O 1 13 LEU N 2.900 2.400 3.600 3.986 3.939 3.994 0.394 19 0 "[ . 1 . 2]" 2
9 1 10 ASP O 1 14 GLN H 1.900 . 2.500 2.835 2.766 3.058 0.558 8 2 "[ -. + 1 . 2]" 2
10 1 10 ASP O 1 14 GLN N 2.900 2.400 3.600 3.548 3.490 3.778 0.178 4 0 "[ . 1 . 2]" 2
11 1 11 PHE O 1 15 ARG H 1.900 . 2.500 2.433 2.419 2.452 . 0 0 "[ . 1 . 2]" 2
12 1 11 PHE O 1 15 ARG N 2.900 2.400 3.600 2.778 2.750 2.787 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 8:48:23 PM GMT (wattos1)