NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
369166 |
1b9q   |
4481 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1b9q
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 320
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 498.658
_Distance_constraint_stats_list.Viol_max 0.385
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.1025
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 2 ALA 0.060 0.059 9 0 "[ . 1 . ]"
1 3 VAL 2.935 0.340 5 0 "[ . 1 . ]"
1 4 GLU 4.013 0.385 19 0 "[ . 1 . ]"
1 5 LEU 1.574 0.385 19 0 "[ . 1 . ]"
1 6 ARG 2.055 0.321 7 0 "[ . 1 . ]"
1 7 SER 2.109 0.231 2 0 "[ . 1 . ]"
1 8 PRO 1.307 0.142 7 0 "[ . 1 . ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 10 ILE 4.915 0.364 3 0 "[ . 1 . ]"
1 11 SER 4.137 0.336 1 0 "[ . 1 . ]"
1 12 ARG 0.129 0.069 1 0 "[ . 1 . ]"
1 13 PHE 1.167 0.159 1 0 "[ . 1 . ]"
1 14 ARG 2.920 0.315 11 0 "[ . 1 . ]"
1 15 ARG 0.129 0.069 1 0 "[ . 1 . ]"
1 16 LYS 2.925 0.254 8 0 "[ . 1 . ]"
1 17 ILE 0.355 0.209 14 0 "[ . 1 . ]"
1 18 ALA 2.408 0.253 19 0 "[ . 1 . ]"
1 19 LYS 3.401 0.254 8 0 "[ . 1 . ]"
1 20 ARG 0.133 0.133 11 0 "[ . 1 . ]"
1 21 SER 2.408 0.253 19 0 "[ . 1 . ]"
1 22 ILE 1.199 0.144 10 0 "[ . 1 . ]"
1 23 LYS 1.050 0.231 10 0 "[ . 1 . ]"
1 24 THR 0.192 0.133 11 0 "[ . 1 . ]"
1 25 LEU 1.482 0.149 17 0 "[ . 1 . ]"
1 26 GLU 1.383 0.234 2 0 "[ . 1 . ]"
1 27 HIS 0.208 0.149 17 0 "[ . 1 . ]"
1 28 LYS 0.500 0.146 2 0 "[ . 1 . ]"
1 29 ARG 0.320 0.234 2 0 "[ . 1 . ]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ASN 1.185 0.155 19 0 "[ . 1 . ]"
1 32 ALA 0.698 0.155 19 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 34 GLU 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 1 CYS HA 1 2 ALA H 3.900 . 4.300 2.828 2.205 3.615 . 0 0 "[ . 1 . ]" 1
2 1 1 CYS QB 1 4 GLU H 5.000 . 6.500 5.170 3.558 6.008 . 0 0 "[ . 1 . ]" 1
3 1 2 ALA H 1 2 ALA HA 2.800 . 3.100 2.799 2.300 3.002 . 0 0 "[ . 1 . ]" 1
4 1 2 ALA H 1 2 ALA MB 2.800 . 4.100 2.521 2.173 2.897 . 0 0 "[ . 1 . ]" 1
5 1 2 ALA H 1 3 VAL H 5.000 . 5.500 3.442 2.485 4.669 . 0 0 "[ . 1 . ]" 1
6 1 2 ALA HA 1 3 VAL H 2.800 . 3.100 2.686 2.206 3.159 0.059 9 0 "[ . 1 . ]" 1
7 1 2 ALA HA 1 5 LEU MD1 5.000 . 6.500 4.680 2.688 5.572 . 0 0 "[ . 1 . ]" 1
8 1 2 ALA HA 1 5 LEU MD2 3.900 . 5.300 3.892 1.803 4.439 . 0 0 "[ . 1 . ]" 1
9 1 2 ALA MB 1 3 VAL H 3.900 . 5.300 3.315 1.982 3.749 . 0 0 "[ . 1 . ]" 1
10 1 2 ALA MB 1 4 GLU H 5.000 . 6.500 4.310 2.712 5.496 . 0 0 "[ . 1 . ]" 1
11 1 3 VAL H 1 3 VAL HA 2.800 . 3.100 2.762 2.239 3.003 . 0 0 "[ . 1 . ]" 1
12 1 3 VAL H 1 3 VAL HB 3.900 . 4.300 3.623 2.491 3.937 . 0 0 "[ . 1 . ]" 1
13 1 3 VAL H 1 3 VAL MG1 3.900 . 5.300 2.426 2.030 3.070 . 0 0 "[ . 1 . ]" 1
14 1 3 VAL H 1 3 VAL MG2 3.900 . 5.300 2.690 1.880 3.972 . 0 0 "[ . 1 . ]" 1
15 1 3 VAL H 1 4 GLU H 2.800 . 3.100 2.682 2.007 3.440 0.340 5 0 "[ . 1 . ]" 1
16 1 3 VAL HA 1 4 GLU H 3.900 . 4.300 3.346 2.963 3.610 . 0 0 "[ . 1 . ]" 1
17 1 3 VAL HA 1 6 ARG H 5.000 . 5.500 5.170 3.544 5.727 0.227 18 0 "[ . 1 . ]" 1
18 1 3 VAL HA 1 7 SER H 5.000 . 5.500 5.050 4.000 5.675 0.175 17 0 "[ . 1 . ]" 1
19 1 3 VAL HB 1 4 GLU H 3.900 . 4.300 4.131 3.614 4.523 0.223 4 0 "[ . 1 . ]" 1
20 1 3 VAL MG1 1 4 GLU H 3.900 . 5.300 3.806 1.981 4.312 . 0 0 "[ . 1 . ]" 1
21 1 3 VAL MG2 1 4 GLU H 2.800 . 4.100 2.877 2.061 3.468 . 0 0 "[ . 1 . ]" 1
22 1 3 VAL MG2 1 4 GLU HA 3.900 . 5.300 4.013 3.462 4.534 . 0 0 "[ . 1 . ]" 1
23 1 4 GLU H 1 4 GLU QG 3.900 . 5.300 3.035 2.006 4.064 . 0 0 "[ . 1 . ]" 1
24 1 4 GLU H 1 5 LEU H 5.000 . 5.500 2.939 2.507 4.631 . 0 0 "[ . 1 . ]" 1
25 1 4 GLU HA 1 5 LEU H 2.800 . 3.100 2.995 2.320 3.485 0.385 19 0 "[ . 1 . ]" 1
26 1 4 GLU HA 1 7 SER H 5.000 . 5.500 4.949 3.327 5.731 0.231 2 0 "[ . 1 . ]" 1
27 1 4 GLU HB2 1 5 LEU H 3.900 . 4.300 4.052 2.466 4.473 0.173 1 0 "[ . 1 . ]" 1
28 1 4 GLU QG 1 5 LEU H 3.900 . 5.300 4.321 1.995 4.754 . 0 0 "[ . 1 . ]" 1
29 1 4 GLU QG 1 6 ARG H 5.000 . 6.500 5.279 4.391 5.908 . 0 0 "[ . 1 . ]" 1
30 1 5 LEU H 1 5 LEU HA 2.800 . 3.100 2.618 2.287 2.996 . 0 0 "[ . 1 . ]" 1
31 1 5 LEU H 1 5 LEU HB2 3.900 . 4.300 3.162 2.023 3.953 . 0 0 "[ . 1 . ]" 1
32 1 5 LEU H 1 5 LEU HB3 3.900 . 4.300 3.493 2.333 4.042 . 0 0 "[ . 1 . ]" 1
33 1 5 LEU H 1 5 LEU HG 5.000 . 5.500 3.648 2.112 4.737 . 0 0 "[ . 1 . ]" 1
34 1 5 LEU H 1 6 ARG H 5.000 . 5.500 2.623 1.964 3.053 . 0 0 "[ . 1 . ]" 1
35 1 5 LEU HA 1 5 LEU HB2 2.800 . 3.100 2.795 2.343 3.041 . 0 0 "[ . 1 . ]" 1
36 1 5 LEU HA 1 5 LEU MD2 3.900 . 5.300 3.013 1.867 3.946 . 0 0 "[ . 1 . ]" 1
37 1 5 LEU HA 1 6 ARG H 3.900 . 4.300 3.164 2.740 3.605 . 0 0 "[ . 1 . ]" 1
38 1 5 LEU MD2 1 6 ARG H 5.000 . 6.500 4.357 3.490 4.751 . 0 0 "[ . 1 . ]" 1
39 1 6 ARG H 1 6 ARG HA 2.800 . 3.100 2.832 2.292 2.994 . 0 0 "[ . 1 . ]" 1
40 1 6 ARG H 1 6 ARG HB2 3.900 . 4.300 3.093 2.352 3.993 . 0 0 "[ . 1 . ]" 1
41 1 6 ARG H 1 6 ARG HB3 2.800 . 3.100 3.045 2.555 3.421 0.321 7 0 "[ . 1 . ]" 1
42 1 6 ARG H 1 6 ARG HG2 5.000 . 5.500 4.617 3.677 5.168 . 0 0 "[ . 1 . ]" 1
43 1 6 ARG H 1 6 ARG HG3 5.000 . 5.500 4.518 2.475 5.100 . 0 0 "[ . 1 . ]" 1
44 1 6 ARG HA 1 6 ARG HG2 3.900 . 4.300 3.072 2.106 4.170 . 0 0 "[ . 1 . ]" 1
45 1 6 ARG HA 1 7 SER H 3.900 . 4.300 3.272 2.605 3.616 . 0 0 "[ . 1 . ]" 1
46 1 6 ARG HB2 1 7 SER H 5.000 . 5.500 4.081 2.939 4.685 . 0 0 "[ . 1 . ]" 1
47 1 6 ARG HB3 1 7 SER H 5.000 . 5.500 3.368 2.291 4.625 . 0 0 "[ . 1 . ]" 1
48 1 7 SER H 1 7 SER QB 2.800 . 4.100 2.670 2.115 3.419 . 0 0 "[ . 1 . ]" 1
49 1 7 SER HA 1 8 PRO HB2 5.000 . 5.500 5.550 5.488 5.642 0.142 7 0 "[ . 1 . ]" 1
50 1 7 SER HA 1 8 PRO HD2 2.800 . 3.100 2.377 2.107 2.833 . 0 0 "[ . 1 . ]" 1
51 1 7 SER HA 1 8 PRO HD3 2.800 . 3.100 2.245 1.968 2.996 . 0 0 "[ . 1 . ]" 1
52 1 7 SER QB 1 8 PRO HD2 5.000 . 6.500 3.235 2.436 4.298 . 0 0 "[ . 1 . ]" 1
53 1 7 SER QB 1 8 PRO HD3 5.000 . 6.500 3.939 3.529 4.418 . 0 0 "[ . 1 . ]" 1
54 1 8 PRO HA 1 8 PRO HB3 2.800 . 3.100 2.290 2.267 2.304 . 0 0 "[ . 1 . ]" 1
55 1 8 PRO HA 1 8 PRO QG 2.800 . 4.100 3.507 3.492 3.515 . 0 0 "[ . 1 . ]" 1
56 1 8 PRO HA 1 9 GLY H 3.900 . 4.300 2.812 2.205 3.632 . 0 0 "[ . 1 . ]" 1
57 1 8 PRO HA 1 11 SER HB2 5.000 . 5.500 4.415 2.759 5.527 0.027 18 0 "[ . 1 . ]" 1
58 1 8 PRO HA 1 11 SER HB3 5.000 . 5.500 4.674 2.986 5.634 0.134 11 0 "[ . 1 . ]" 1
59 1 8 PRO HB2 1 9 GLY H 5.000 . 5.500 3.310 2.365 4.398 . 0 0 "[ . 1 . ]" 1
60 1 9 GLY H 1 10 ILE H 5.000 . 5.500 3.713 2.367 4.613 . 0 0 "[ . 1 . ]" 1
61 1 9 GLY HA2 1 10 ILE H 3.900 . 4.300 3.186 2.209 3.601 . 0 0 "[ . 1 . ]" 1
62 1 9 GLY HA3 1 10 ILE H 5.000 . 5.500 2.587 2.163 3.546 . 0 0 "[ . 1 . ]" 1
63 1 10 ILE H 1 10 ILE HA 2.800 . 3.100 2.705 2.254 2.956 . 0 0 "[ . 1 . ]" 1
64 1 10 ILE H 1 10 ILE HG12 3.900 . 4.300 4.216 3.649 4.462 0.162 4 0 "[ . 1 . ]" 1
65 1 10 ILE H 1 10 ILE HG13 3.900 . 4.300 4.068 2.153 4.664 0.364 3 0 "[ . 1 . ]" 1
66 1 10 ILE H 1 10 ILE MG 3.900 . 5.300 2.816 2.119 4.090 . 0 0 "[ . 1 . ]" 1
67 1 10 ILE H 1 11 SER H 2.800 . 3.100 2.891 2.317 3.436 0.336 1 0 "[ . 1 . ]" 1
68 1 10 ILE HA 1 10 ILE HG12 3.900 . 4.300 2.624 1.964 3.603 . 0 0 "[ . 1 . ]" 1
69 1 10 ILE HA 1 10 ILE MG 2.800 . 4.100 3.057 2.321 3.246 . 0 0 "[ . 1 . ]" 1
70 1 10 ILE HA 1 13 PHE H 3.900 . 4.300 3.511 3.238 3.861 . 0 0 "[ . 1 . ]" 1
71 1 10 ILE HA 1 13 PHE QB 2.800 . 4.100 2.879 2.036 3.448 . 0 0 "[ . 1 . ]" 1
72 1 10 ILE HA 1 13 PHE QD 5.000 . 7.500 2.260 1.690 2.950 0.110 19 0 "[ . 1 . ]" 1
73 1 10 ILE HA 1 14 ARG H 5.000 . 5.500 4.042 3.654 4.717 . 0 0 "[ . 1 . ]" 1
74 1 10 ILE HB 1 10 ILE MD 2.800 . 4.100 2.706 2.091 3.220 . 0 0 "[ . 1 . ]" 1
75 1 10 ILE MD 1 11 SER HA 5.000 . 6.500 4.506 3.098 5.662 . 0 0 "[ . 1 . ]" 1
76 1 10 ILE MD 1 11 SER HB2 5.000 . 6.500 5.247 4.843 5.539 . 0 0 "[ . 1 . ]" 1
77 1 10 ILE MD 1 13 PHE QD 5.000 . 8.500 3.487 1.872 5.098 . 0 0 "[ . 1 . ]" 1
78 1 10 ILE HG12 1 13 PHE QD 5.000 . 7.500 2.934 2.024 4.316 . 0 0 "[ . 1 . ]" 1
79 1 10 ILE HG12 1 13 PHE HZ 5.000 . 5.500 5.487 5.044 5.659 0.159 1 0 "[ . 1 . ]" 1
80 1 10 ILE MG 1 11 SER H 2.800 . 4.100 2.491 2.019 3.504 . 0 0 "[ . 1 . ]" 1
81 1 10 ILE MG 1 11 SER HA 3.900 . 5.300 3.349 3.111 3.641 . 0 0 "[ . 1 . ]" 1
82 1 10 ILE MG 1 11 SER HB2 5.000 . 6.500 3.670 2.744 4.758 . 0 0 "[ . 1 . ]" 1
83 1 10 ILE MG 1 13 PHE QB 5.000 . 7.500 4.864 3.914 5.392 . 0 0 "[ . 1 . ]" 1
84 1 10 ILE MG 1 13 PHE QD 5.000 . 8.500 3.877 2.243 4.422 . 0 0 "[ . 1 . ]" 1
85 1 10 ILE MG 1 13 PHE QE 5.000 . 8.500 4.410 1.890 5.396 . 0 0 "[ . 1 . ]" 1
86 1 10 ILE MG 1 14 ARG H 5.000 . 6.500 4.455 2.835 5.133 . 0 0 "[ . 1 . ]" 1
87 1 10 ILE MG 1 14 ARG QD 3.900 . 6.300 3.174 2.187 4.478 . 0 0 "[ . 1 . ]" 1
88 1 11 SER H 1 11 SER HA 2.800 . 3.100 2.870 2.785 2.979 . 0 0 "[ . 1 . ]" 1
89 1 11 SER H 1 11 SER HB2 3.900 . 4.300 2.331 2.141 2.874 . 0 0 "[ . 1 . ]" 1
90 1 11 SER H 1 11 SER HB3 3.900 . 4.300 3.036 2.559 3.548 . 0 0 "[ . 1 . ]" 1
91 1 11 SER H 1 12 ARG H 2.800 . 3.100 2.673 2.198 2.962 . 0 0 "[ . 1 . ]" 1
92 1 11 SER HA 1 12 ARG H 5.000 . 5.500 3.566 3.514 3.610 . 0 0 "[ . 1 . ]" 1
93 1 11 SER HA 1 14 ARG H 2.800 . 3.100 3.248 3.089 3.415 0.315 11 0 "[ . 1 . ]" 1
94 1 11 SER HA 1 14 ARG QB 3.900 . 5.300 2.499 1.874 3.821 . 0 0 "[ . 1 . ]" 1
95 1 11 SER HA 1 14 ARG QD 5.000 . 6.500 2.210 1.842 3.040 . 0 0 "[ . 1 . ]" 1
96 1 11 SER HA 1 15 ARG H 5.000 . 5.500 4.247 3.565 4.972 . 0 0 "[ . 1 . ]" 1
97 1 11 SER HB2 1 12 ARG H 5.000 . 5.500 3.381 2.523 3.826 . 0 0 "[ . 1 . ]" 1
98 1 11 SER HB2 1 14 ARG QD 5.000 . 6.500 4.196 3.513 5.512 . 0 0 "[ . 1 . ]" 1
99 1 11 SER HB3 1 14 ARG QD 3.900 . 5.300 4.397 3.746 4.792 . 0 0 "[ . 1 . ]" 1
100 1 12 ARG H 1 12 ARG HA 2.800 . 3.100 2.876 2.843 2.935 . 0 0 "[ . 1 . ]" 1
101 1 12 ARG HA 1 15 ARG H 3.900 . 4.300 3.958 3.385 4.369 0.069 1 0 "[ . 1 . ]" 1
102 1 13 PHE H 1 13 PHE HA 2.800 . 3.100 2.923 2.864 2.965 . 0 0 "[ . 1 . ]" 1
103 1 13 PHE H 1 13 PHE QD 5.000 . 7.500 3.388 2.922 4.014 . 0 0 "[ . 1 . ]" 1
104 1 13 PHE H 1 14 ARG H 2.800 . 3.100 2.449 2.242 2.706 . 0 0 "[ . 1 . ]" 1
105 1 13 PHE H 1 15 ARG H 5.000 . 5.500 4.129 3.842 4.392 . 0 0 "[ . 1 . ]" 1
106 1 13 PHE HA 1 13 PHE QD 3.900 . 6.300 3.181 2.597 3.514 . 0 0 "[ . 1 . ]" 1
107 1 13 PHE HA 1 14 ARG H 5.000 . 5.500 3.561 3.491 3.628 . 0 0 "[ . 1 . ]" 1
108 1 13 PHE HA 1 15 ARG H 5.000 . 5.500 4.176 3.785 4.548 . 0 0 "[ . 1 . ]" 1
109 1 13 PHE HA 1 16 LYS HB2 3.900 . 4.300 3.375 2.310 4.310 0.010 4 0 "[ . 1 . ]" 1
110 1 13 PHE HA 1 16 LYS HB3 3.900 . 4.300 3.634 3.041 4.337 0.037 18 0 "[ . 1 . ]" 1
111 1 13 PHE QB 1 13 PHE QD 2.800 . 6.100 2.149 2.136 2.155 . 0 0 "[ . 1 . ]" 1
112 1 13 PHE QB 1 14 ARG H 2.800 . 4.100 3.098 2.624 3.459 . 0 0 "[ . 1 . ]" 1
113 1 13 PHE QD 1 14 ARG HA 5.000 . 7.500 4.001 3.834 4.185 . 0 0 "[ . 1 . ]" 1
114 1 13 PHE QD 1 14 ARG QB 5.000 . 8.500 3.891 3.083 4.558 . 0 0 "[ . 1 . ]" 1
115 1 13 PHE QD 1 17 ILE MD 5.000 . 8.500 3.219 2.551 3.875 . 0 0 "[ . 1 . ]" 1
116 1 13 PHE QE 1 17 ILE MD 3.900 . 7.300 2.471 1.912 2.774 . 0 0 "[ . 1 . ]" 1
117 1 13 PHE QE 1 17 ILE MG 5.000 . 8.500 4.557 4.074 5.168 . 0 0 "[ . 1 . ]" 1
118 1 13 PHE HZ 1 17 ILE MD 3.900 . 5.300 2.858 2.310 3.903 . 0 0 "[ . 1 . ]" 1
119 1 13 PHE HZ 1 17 ILE MG 5.000 . 6.500 4.727 4.107 5.302 . 0 0 "[ . 1 . ]" 1
120 1 14 ARG H 1 14 ARG HA 2.800 . 3.100 2.844 2.815 2.880 . 0 0 "[ . 1 . ]" 1
121 1 14 ARG H 1 14 ARG QB 2.800 . 4.100 2.188 1.993 2.661 . 0 0 "[ . 1 . ]" 1
122 1 14 ARG H 1 15 ARG H 2.800 . 3.100 2.777 2.667 2.885 . 0 0 "[ . 1 . ]" 1
123 1 14 ARG H 1 16 LYS H 5.000 . 5.500 4.328 3.960 4.748 . 0 0 "[ . 1 . ]" 1
124 1 14 ARG HA 1 15 ARG H 5.000 . 5.500 3.555 3.473 3.603 . 0 0 "[ . 1 . ]" 1
125 1 14 ARG HA 1 16 LYS H 5.000 . 5.500 4.269 3.883 4.425 . 0 0 "[ . 1 . ]" 1
126 1 14 ARG HA 1 17 ILE H 3.900 . 4.300 3.312 3.025 3.590 . 0 0 "[ . 1 . ]" 1
127 1 14 ARG HA 1 17 ILE HB 2.800 . 3.100 2.716 1.893 3.198 0.098 6 0 "[ . 1 . ]" 1
128 1 14 ARG HA 1 17 ILE MD 3.900 . 5.300 2.586 1.812 4.309 . 0 0 "[ . 1 . ]" 1
129 1 14 ARG HA 1 17 ILE HG12 5.000 . 5.500 4.083 2.517 5.350 . 0 0 "[ . 1 . ]" 1
130 1 14 ARG HA 1 17 ILE HG13 5.000 . 5.500 3.637 2.763 5.419 . 0 0 "[ . 1 . ]" 1
131 1 14 ARG HA 1 17 ILE MG 3.900 . 5.300 3.772 2.357 4.310 . 0 0 "[ . 1 . ]" 1
132 1 14 ARG HA 1 18 ALA H 5.000 . 5.500 4.236 3.724 4.635 . 0 0 "[ . 1 . ]" 1
133 1 14 ARG QB 1 17 ILE MD 5.000 . 7.500 4.089 2.857 5.649 . 0 0 "[ . 1 . ]" 1
134 1 15 ARG H 1 15 ARG HA 2.800 . 3.100 2.863 2.830 2.880 . 0 0 "[ . 1 . ]" 1
135 1 15 ARG H 1 15 ARG HB2 3.900 . 4.300 2.447 1.998 3.593 . 0 0 "[ . 1 . ]" 1
136 1 15 ARG H 1 15 ARG QD 5.000 . 6.500 3.838 2.241 4.611 . 0 0 "[ . 1 . ]" 1
137 1 15 ARG H 1 16 LYS H 2.800 . 3.100 2.706 2.616 2.829 . 0 0 "[ . 1 . ]" 1
138 1 15 ARG H 1 17 ILE H 5.000 . 5.500 4.159 4.015 4.383 . 0 0 "[ . 1 . ]" 1
139 1 15 ARG HA 1 17 ILE H 5.000 . 5.500 4.427 4.215 4.795 . 0 0 "[ . 1 . ]" 1
140 1 15 ARG HA 1 18 ALA H 3.900 . 4.300 3.512 3.309 3.856 . 0 0 "[ . 1 . ]" 1
141 1 15 ARG HA 1 18 ALA MB 2.800 . 4.100 2.615 2.300 3.253 . 0 0 "[ . 1 . ]" 1
142 1 16 LYS H 1 17 ILE H 2.800 . 3.100 2.607 2.342 2.689 . 0 0 "[ . 1 . ]" 1
143 1 16 LYS H 1 18 ALA H 5.000 . 5.500 4.113 3.867 4.414 . 0 0 "[ . 1 . ]" 1
144 1 16 LYS HA 1 17 ILE H 5.000 . 5.500 3.567 3.554 3.598 . 0 0 "[ . 1 . ]" 1
145 1 16 LYS HA 1 19 LYS H 2.800 . 3.100 3.250 3.154 3.354 0.254 8 0 "[ . 1 . ]" 1
146 1 16 LYS HA 1 20 ARG H 5.000 . 5.500 4.445 4.034 5.048 . 0 0 "[ . 1 . ]" 1
147 1 17 ILE H 1 17 ILE HA 2.800 . 3.100 2.870 2.844 2.892 . 0 0 "[ . 1 . ]" 1
148 1 17 ILE H 1 17 ILE MD 5.000 . 6.500 3.120 2.058 3.877 . 0 0 "[ . 1 . ]" 1
149 1 17 ILE H 1 17 ILE HG12 3.900 . 4.300 3.489 2.098 4.509 0.209 14 0 "[ . 1 . ]" 1
150 1 17 ILE H 1 17 ILE HG13 3.900 . 4.300 2.759 2.020 3.943 . 0 0 "[ . 1 . ]" 1
151 1 17 ILE H 1 18 ALA H 2.800 . 3.100 2.652 2.545 2.777 . 0 0 "[ . 1 . ]" 1
152 1 17 ILE H 1 19 LYS H 5.000 . 5.500 4.063 3.914 4.270 . 0 0 "[ . 1 . ]" 1
153 1 17 ILE HA 1 17 ILE MD 3.900 . 5.300 3.384 2.030 3.928 . 0 0 "[ . 1 . ]" 1
154 1 17 ILE HA 1 17 ILE HG12 3.900 . 4.300 2.926 2.518 3.570 . 0 0 "[ . 1 . ]" 1
155 1 17 ILE HA 1 17 ILE HG13 3.900 . 4.300 2.821 2.111 3.731 . 0 0 "[ . 1 . ]" 1
156 1 17 ILE HA 1 17 ILE MG 2.800 . 4.100 2.531 2.347 3.131 . 0 0 "[ . 1 . ]" 1
157 1 17 ILE HA 1 18 ALA H 5.000 . 5.500 3.567 3.542 3.586 . 0 0 "[ . 1 . ]" 1
158 1 17 ILE HA 1 20 ARG H 3.900 . 4.300 3.648 3.468 3.959 . 0 0 "[ . 1 . ]" 1
159 1 17 ILE HA 1 20 ARG QB 2.800 . 4.100 3.009 2.714 3.791 . 0 0 "[ . 1 . ]" 1
160 1 17 ILE HA 1 21 SER H 5.000 . 5.500 4.625 4.306 5.143 . 0 0 "[ . 1 . ]" 1
161 1 17 ILE HB 1 18 ALA H 3.900 . 4.300 2.631 2.365 3.511 . 0 0 "[ . 1 . ]" 1
162 1 17 ILE MD 1 17 ILE MG 2.800 . 5.100 2.305 1.910 3.233 . 0 0 "[ . 1 . ]" 1
163 1 17 ILE MG 1 18 ALA H 5.000 . 6.500 3.221 2.295 3.524 . 0 0 "[ . 1 . ]" 1
164 1 17 ILE MG 1 18 ALA HA 5.000 . 6.500 3.515 3.167 3.716 . 0 0 "[ . 1 . ]" 1
165 1 18 ALA H 1 18 ALA HA 2.800 . 3.100 2.880 2.857 2.903 . 0 0 "[ . 1 . ]" 1
166 1 18 ALA H 1 18 ALA MB 2.800 . 4.100 2.110 2.037 2.191 . 0 0 "[ . 1 . ]" 1
167 1 18 ALA H 1 19 LYS H 2.800 . 3.100 2.677 2.603 2.799 . 0 0 "[ . 1 . ]" 1
168 1 18 ALA HA 1 20 ARG H 5.000 . 5.500 4.125 3.757 4.375 . 0 0 "[ . 1 . ]" 1
169 1 18 ALA HA 1 21 SER H 2.800 . 3.100 3.227 3.110 3.353 0.253 19 0 "[ . 1 . ]" 1
170 1 18 ALA MB 1 19 LYS H 2.800 . 4.100 2.615 2.490 2.719 . 0 0 "[ . 1 . ]" 1
171 1 18 ALA MB 1 22 ILE MD 5.000 . 7.500 2.628 1.911 4.580 . 0 0 "[ . 1 . ]" 1
172 1 19 LYS H 1 19 LYS HA 2.800 . 3.100 2.850 2.820 2.878 . 0 0 "[ . 1 . ]" 1
173 1 19 LYS H 1 19 LYS QB 2.800 . 4.100 2.094 1.966 2.267 . 0 0 "[ . 1 . ]" 1
174 1 19 LYS H 1 19 LYS HD2 5.000 . 5.500 4.996 4.141 5.563 0.063 18 0 "[ . 1 . ]" 1
175 1 19 LYS H 1 19 LYS HD3 5.000 . 5.500 4.756 3.985 5.311 . 0 0 "[ . 1 . ]" 1
176 1 19 LYS H 1 20 ARG H 2.800 . 3.100 2.729 2.625 2.846 . 0 0 "[ . 1 . ]" 1
177 1 19 LYS H 1 21 SER H 5.000 . 5.500 4.226 3.988 4.439 . 0 0 "[ . 1 . ]" 1
178 1 19 LYS HA 1 19 LYS HD2 5.000 . 5.500 4.295 3.058 5.143 . 0 0 "[ . 1 . ]" 1
179 1 19 LYS HA 1 19 LYS HD3 5.000 . 5.500 3.916 2.345 4.760 . 0 0 "[ . 1 . ]" 1
180 1 19 LYS HA 1 20 ARG H 5.000 . 5.500 3.537 3.456 3.575 . 0 0 "[ . 1 . ]" 1
181 1 19 LYS HA 1 22 ILE H 3.900 . 4.300 3.695 3.301 4.190 . 0 0 "[ . 1 . ]" 1
182 1 19 LYS HA 1 22 ILE HB 2.800 . 3.100 2.893 2.517 3.244 0.144 10 0 "[ . 1 . ]" 1
183 1 19 LYS HA 1 22 ILE MD 3.900 . 5.300 2.527 1.817 3.755 . 0 0 "[ . 1 . ]" 1
184 1 19 LYS HA 1 22 ILE MG 5.000 . 6.500 3.965 2.607 4.343 . 0 0 "[ . 1 . ]" 1
185 1 20 ARG H 1 20 ARG HA 2.800 . 3.100 2.912 2.858 2.966 . 0 0 "[ . 1 . ]" 1
186 1 20 ARG H 1 20 ARG QB 2.800 . 4.100 2.131 1.970 2.394 . 0 0 "[ . 1 . ]" 1
187 1 20 ARG H 1 20 ARG HG2 5.000 . 5.500 4.182 2.138 4.639 . 0 0 "[ . 1 . ]" 1
188 1 20 ARG H 1 20 ARG HG3 5.000 . 5.500 4.037 3.003 4.586 . 0 0 "[ . 1 . ]" 1
189 1 20 ARG H 1 21 SER H 2.800 . 3.100 2.534 2.227 2.728 . 0 0 "[ . 1 . ]" 1
190 1 20 ARG H 1 22 ILE H 5.000 . 5.500 4.045 3.647 4.259 . 0 0 "[ . 1 . ]" 1
191 1 20 ARG HA 1 21 SER H 5.000 . 5.500 3.573 3.490 3.615 . 0 0 "[ . 1 . ]" 1
192 1 20 ARG HA 1 23 LYS QG 5.000 . 6.500 4.578 2.025 5.898 . 0 0 "[ . 1 . ]" 1
193 1 20 ARG HA 1 24 THR H 5.000 . 5.500 4.589 3.906 5.633 0.133 11 0 "[ . 1 . ]" 1
194 1 20 ARG QB 1 21 SER H 2.800 . 4.100 2.644 2.443 3.098 . 0 0 "[ . 1 . ]" 1
195 1 21 SER H 1 21 SER HB3 3.900 . 4.300 3.084 2.407 3.557 . 0 0 "[ . 1 . ]" 1
196 1 21 SER H 1 22 ILE H 2.800 . 3.100 2.624 2.252 2.791 . 0 0 "[ . 1 . ]" 1
197 1 21 SER H 1 23 LYS H 5.000 . 5.500 4.330 4.024 4.856 . 0 0 "[ . 1 . ]" 1
198 1 21 SER HA 1 21 SER HB2 2.800 . 3.100 2.788 2.395 3.043 . 0 0 "[ . 1 . ]" 1
199 1 21 SER HA 1 22 ILE H 3.900 . 4.300 3.521 3.200 3.586 . 0 0 "[ . 1 . ]" 1
200 1 21 SER HA 1 24 THR H 5.000 . 5.500 3.834 3.251 4.803 . 0 0 "[ . 1 . ]" 1
201 1 21 SER HA 1 24 THR HB 5.000 . 5.500 3.507 2.797 4.562 . 0 0 "[ . 1 . ]" 1
202 1 21 SER HA 1 24 THR MG 5.000 . 6.500 4.275 2.411 5.373 . 0 0 "[ . 1 . ]" 1
203 1 21 SER HA 1 25 LEU H 5.000 . 5.500 4.330 3.895 4.784 . 0 0 "[ . 1 . ]" 1
204 1 21 SER HB2 1 22 ILE H 5.000 . 5.500 3.431 2.385 4.463 . 0 0 "[ . 1 . ]" 1
205 1 21 SER HB3 1 22 ILE H 5.000 . 5.500 3.320 2.338 4.382 . 0 0 "[ . 1 . ]" 1
206 1 22 ILE H 1 22 ILE MD 5.000 . 6.500 3.332 2.758 4.184 . 0 0 "[ . 1 . ]" 1
207 1 22 ILE H 1 22 ILE HG12 5.000 . 5.500 3.876 3.642 4.558 . 0 0 "[ . 1 . ]" 1
208 1 22 ILE H 1 22 ILE HG13 3.900 . 4.300 2.574 2.192 4.279 . 0 0 "[ . 1 . ]" 1
209 1 22 ILE H 1 23 LYS H 2.800 . 3.100 2.638 2.258 2.928 . 0 0 "[ . 1 . ]" 1
210 1 22 ILE H 1 24 THR H 5.000 . 5.500 4.218 3.527 4.807 . 0 0 "[ . 1 . ]" 1
211 1 22 ILE HA 1 22 ILE HG12 3.900 . 4.300 2.690 2.456 3.085 . 0 0 "[ . 1 . ]" 1
212 1 22 ILE HA 1 22 ILE HG13 3.900 . 4.300 2.624 2.248 2.818 . 0 0 "[ . 1 . ]" 1
213 1 22 ILE HA 1 22 ILE MG 2.800 . 4.100 2.505 2.293 3.230 . 0 0 "[ . 1 . ]" 1
214 1 22 ILE HA 1 23 LYS H 3.900 . 4.300 3.586 3.570 3.622 . 0 0 "[ . 1 . ]" 1
215 1 22 ILE HA 1 25 LEU H 5.000 . 5.500 3.417 3.185 3.726 . 0 0 "[ . 1 . ]" 1
216 1 22 ILE HA 1 25 LEU HB2 2.800 . 3.100 2.642 2.000 3.189 0.089 17 0 "[ . 1 . ]" 1
217 1 22 ILE HA 1 25 LEU HB3 2.800 . 3.100 2.994 2.128 3.199 0.099 8 0 "[ . 1 . ]" 1
218 1 22 ILE HA 1 25 LEU MD1 5.000 . 6.500 3.946 2.945 4.944 . 0 0 "[ . 1 . ]" 1
219 1 22 ILE HA 1 25 LEU HG 5.000 . 5.500 4.929 3.437 5.555 0.055 9 0 "[ . 1 . ]" 1
220 1 22 ILE HA 1 26 GLU H 5.000 . 5.500 4.089 3.704 5.166 . 0 0 "[ . 1 . ]" 1
221 1 22 ILE MG 1 26 GLU HG2 5.000 . 6.500 3.760 2.348 5.190 . 0 0 "[ . 1 . ]" 1
222 1 22 ILE MG 1 26 GLU HG3 5.000 . 6.500 3.206 2.114 4.422 . 0 0 "[ . 1 . ]" 1
223 1 23 LYS H 1 23 LYS QG 3.900 . 5.300 3.318 2.174 4.034 . 0 0 "[ . 1 . ]" 1
224 1 23 LYS H 1 24 THR H 2.800 . 3.100 2.843 2.644 3.065 . 0 0 "[ . 1 . ]" 1
225 1 23 LYS HA 1 23 LYS HB2 2.800 . 3.100 2.753 2.480 3.038 . 0 0 "[ . 1 . ]" 1
226 1 23 LYS HA 1 23 LYS QD 3.900 . 5.300 3.483 1.906 4.151 . 0 0 "[ . 1 . ]" 1
227 1 23 LYS HA 1 26 GLU H 5.000 . 5.500 3.583 3.360 3.741 . 0 0 "[ . 1 . ]" 1
228 1 23 LYS HA 1 26 GLU HB2 3.900 . 4.300 2.894 2.394 4.531 0.231 10 0 "[ . 1 . ]" 1
229 1 23 LYS HA 1 26 GLU HB3 3.900 . 4.300 4.063 2.943 4.420 0.120 16 0 "[ . 1 . ]" 1
230 1 23 LYS HA 1 26 GLU HG2 5.000 . 5.500 4.861 2.107 5.657 0.157 4 0 "[ . 1 . ]" 1
231 1 23 LYS HA 1 26 GLU HG3 5.000 . 5.500 4.102 2.112 5.493 . 0 0 "[ . 1 . ]" 1
232 1 23 LYS HA 1 27 HIS H 5.000 . 5.500 4.110 3.251 4.948 . 0 0 "[ . 1 . ]" 1
233 1 23 LYS HB2 1 24 THR H 3.900 . 4.300 3.242 2.422 3.825 . 0 0 "[ . 1 . ]" 1
234 1 23 LYS HB3 1 24 THR H 3.900 . 4.300 2.824 2.178 3.495 . 0 0 "[ . 1 . ]" 1
235 1 24 THR H 1 24 THR HB 3.900 . 4.300 2.582 2.260 3.590 . 0 0 "[ . 1 . ]" 1
236 1 24 THR H 1 26 GLU H 5.000 . 5.500 4.171 3.907 4.406 . 0 0 "[ . 1 . ]" 1
237 1 24 THR HA 1 24 THR MG 2.800 . 4.100 2.426 2.217 3.234 . 0 0 "[ . 1 . ]" 1
238 1 24 THR HA 1 25 LEU H 3.900 . 4.300 3.556 3.515 3.578 . 0 0 "[ . 1 . ]" 1
239 1 24 THR HA 1 27 HIS H 5.000 . 5.500 3.706 3.316 5.430 . 0 0 "[ . 1 . ]" 1
240 1 24 THR HA 1 27 HIS HB2 5.000 . 5.500 3.332 2.597 4.397 . 0 0 "[ . 1 . ]" 1
241 1 24 THR HA 1 27 HIS HB3 5.000 . 5.500 3.859 2.822 5.539 0.039 9 0 "[ . 1 . ]" 1
242 1 24 THR HB 1 25 LEU H 3.900 . 4.300 2.797 2.452 3.900 . 0 0 "[ . 1 . ]" 1
243 1 24 THR MG 1 25 LEU H 3.900 . 5.300 3.514 2.083 4.007 . 0 0 "[ . 1 . ]" 1
244 1 24 THR MG 1 28 LYS QE 5.000 . 7.500 3.937 1.916 5.505 . 0 0 "[ . 1 . ]" 1
245 1 25 LEU H 1 25 LEU HA 2.800 . 3.100 2.872 2.828 2.913 . 0 0 "[ . 1 . ]" 1
246 1 25 LEU H 1 25 LEU HB2 3.900 . 4.300 2.087 1.965 2.386 . 0 0 "[ . 1 . ]" 1
247 1 25 LEU H 1 25 LEU HB3 3.900 . 4.300 2.992 2.499 3.354 . 0 0 "[ . 1 . ]" 1
248 1 25 LEU H 1 25 LEU HG 3.900 . 4.300 4.207 3.750 4.424 0.124 14 0 "[ . 1 . ]" 1
249 1 25 LEU H 1 26 GLU H 2.800 . 3.100 2.695 2.564 2.895 . 0 0 "[ . 1 . ]" 1
250 1 25 LEU H 1 27 HIS H 5.000 . 5.500 4.338 4.054 5.649 0.149 17 0 "[ . 1 . ]" 1
251 1 25 LEU HA 1 25 LEU HB3 2.800 . 3.100 2.933 2.778 3.034 . 0 0 "[ . 1 . ]" 1
252 1 25 LEU HA 1 25 LEU HG 3.900 . 4.300 2.480 1.947 3.595 . 0 0 "[ . 1 . ]" 1
253 1 25 LEU HA 1 26 GLU H 5.000 . 5.500 3.548 3.378 3.606 . 0 0 "[ . 1 . ]" 1
254 1 25 LEU HB2 1 25 LEU MD1 2.800 . 4.100 2.385 2.042 3.217 . 0 0 "[ . 1 . ]" 1
255 1 25 LEU HB2 1 25 LEU MD2 2.800 . 4.100 2.708 2.307 3.154 . 0 0 "[ . 1 . ]" 1
256 1 25 LEU HB2 1 26 GLU H 5.000 . 5.500 3.428 2.877 4.136 . 0 0 "[ . 1 . ]" 1
257 1 25 LEU HB3 1 26 GLU H 3.900 . 4.300 2.815 2.419 3.671 . 0 0 "[ . 1 . ]" 1
258 1 26 GLU H 1 26 GLU HA 2.800 . 3.100 2.892 2.831 2.990 . 0 0 "[ . 1 . ]" 1
259 1 26 GLU H 1 26 GLU HB2 3.900 . 4.300 2.273 2.021 3.586 . 0 0 "[ . 1 . ]" 1
260 1 26 GLU H 1 26 GLU HB3 3.900 . 4.300 3.346 2.515 3.552 . 0 0 "[ . 1 . ]" 1
261 1 26 GLU H 1 26 GLU HG2 5.000 . 5.500 3.545 2.335 4.407 . 0 0 "[ . 1 . ]" 1
262 1 26 GLU H 1 26 GLU HG3 5.000 . 5.500 3.264 2.104 4.590 . 0 0 "[ . 1 . ]" 1
263 1 26 GLU H 1 27 HIS H 3.900 . 4.300 2.687 2.220 3.490 . 0 0 "[ . 1 . ]" 1
264 1 26 GLU H 1 28 LYS H 5.000 . 5.500 4.401 3.985 5.390 . 0 0 "[ . 1 . ]" 1
265 1 26 GLU HA 1 27 HIS H 3.900 . 4.300 3.571 3.490 3.602 . 0 0 "[ . 1 . ]" 1
266 1 26 GLU HA 1 28 LYS H 5.000 . 5.500 4.421 3.589 5.509 0.009 11 0 "[ . 1 . ]" 1
267 1 26 GLU HA 1 29 ARG H 5.000 . 5.500 3.794 3.080 5.384 . 0 0 "[ . 1 . ]" 1
268 1 26 GLU HA 1 29 ARG HG2 5.000 . 5.500 4.742 3.044 5.734 0.234 2 0 "[ . 1 . ]" 1
269 1 26 GLU HA 1 30 GLU H 5.000 . 5.500 4.077 2.159 5.444 . 0 0 "[ . 1 . ]" 1
270 1 26 GLU HB2 1 27 HIS H 5.000 . 5.500 2.845 2.298 3.822 . 0 0 "[ . 1 . ]" 1
271 1 26 GLU HB3 1 27 HIS H 3.900 . 4.300 3.163 2.013 4.088 . 0 0 "[ . 1 . ]" 1
272 1 27 HIS H 1 27 HIS HB2 3.900 . 4.300 2.367 2.007 3.170 . 0 0 "[ . 1 . ]" 1
273 1 27 HIS H 1 27 HIS HB3 3.900 . 4.300 3.124 2.381 4.048 . 0 0 "[ . 1 . ]" 1
274 1 27 HIS H 1 28 LYS H 3.900 . 4.300 2.897 2.568 3.441 . 0 0 "[ . 1 . ]" 1
275 1 27 HIS HA 1 28 LYS H 5.000 . 5.500 3.440 2.729 3.638 . 0 0 "[ . 1 . ]" 1
276 1 27 HIS HA 1 30 GLU H 5.000 . 5.500 4.145 3.483 5.080 . 0 0 "[ . 1 . ]" 1
277 1 27 HIS HA 1 30 GLU QB 3.900 . 5.300 3.645 2.655 4.648 . 0 0 "[ . 1 . ]" 1
278 1 27 HIS HA 1 30 GLU QG 5.000 . 6.500 4.813 2.473 5.915 . 0 0 "[ . 1 . ]" 1
279 1 27 HIS HB2 1 28 LYS H 5.000 . 5.500 3.568 2.154 4.371 . 0 0 "[ . 1 . ]" 1
280 1 27 HIS HB3 1 28 LYS H 5.000 . 5.500 3.130 2.197 4.455 . 0 0 "[ . 1 . ]" 1
281 1 28 LYS H 1 28 LYS HA 2.800 . 3.100 2.892 2.323 2.999 . 0 0 "[ . 1 . ]" 1
282 1 28 LYS H 1 28 LYS QB 2.800 . 4.100 2.371 1.984 3.357 . 0 0 "[ . 1 . ]" 1
283 1 28 LYS H 1 28 LYS HD2 5.000 . 5.500 4.276 2.062 5.462 . 0 0 "[ . 1 . ]" 1
284 1 28 LYS H 1 28 LYS HD3 5.000 . 5.500 4.368 2.683 5.030 . 0 0 "[ . 1 . ]" 1
285 1 28 LYS HA 1 31 ASN H 5.000 . 5.500 4.099 3.359 4.929 . 0 0 "[ . 1 . ]" 1
286 1 28 LYS HA 1 31 ASN HB2 5.000 . 5.500 4.701 2.133 5.646 0.146 2 0 "[ . 1 . ]" 1
287 1 28 LYS HA 1 31 ASN HB3 5.000 . 5.500 4.492 2.863 5.632 0.132 5 0 "[ . 1 . ]" 1
288 1 29 ARG H 1 29 ARG HA 2.800 . 3.100 2.909 2.825 2.994 . 0 0 "[ . 1 . ]" 1
289 1 29 ARG H 1 29 ARG HB2 3.900 . 4.300 2.676 2.001 4.056 . 0 0 "[ . 1 . ]" 1
290 1 29 ARG H 1 29 ARG HB3 3.900 . 4.300 2.853 2.390 3.585 . 0 0 "[ . 1 . ]" 1
291 1 29 ARG H 1 29 ARG HG2 5.000 . 5.500 3.929 2.119 5.093 . 0 0 "[ . 1 . ]" 1
292 1 29 ARG H 1 29 ARG HG3 5.000 . 5.500 3.982 2.202 4.796 . 0 0 "[ . 1 . ]" 1
293 1 29 ARG H 1 30 GLU H 2.800 . 3.100 2.533 2.074 2.880 . 0 0 "[ . 1 . ]" 1
294 1 29 ARG H 1 31 ASN H 5.000 . 5.500 4.060 2.829 4.694 . 0 0 "[ . 1 . ]" 1
295 1 29 ARG HA 1 30 GLU H 5.000 . 5.500 3.570 3.497 3.618 . 0 0 "[ . 1 . ]" 1
296 1 29 ARG HA 1 32 ALA H 5.000 . 5.500 4.144 3.106 5.204 . 0 0 "[ . 1 . ]" 1
297 1 29 ARG HA 1 32 ALA MB 2.800 . 4.100 2.865 1.963 3.414 . 0 0 "[ . 1 . ]" 1
298 1 30 GLU H 1 30 GLU HA 2.800 . 3.100 2.875 2.774 2.971 . 0 0 "[ . 1 . ]" 1
299 1 30 GLU H 1 30 GLU QB 2.800 . 4.100 2.194 1.943 2.547 . 0 0 "[ . 1 . ]" 1
300 1 30 GLU H 1 30 GLU QG 3.900 . 5.300 3.166 2.060 4.017 . 0 0 "[ . 1 . ]" 1
301 1 30 GLU H 1 31 ASN H 2.800 . 3.100 2.708 2.364 3.073 . 0 0 "[ . 1 . ]" 1
302 1 30 GLU H 1 32 ALA H 5.000 . 5.500 4.474 3.915 5.219 . 0 0 "[ . 1 . ]" 1
303 1 30 GLU HA 1 31 ASN H 3.900 . 4.300 3.564 3.430 3.618 . 0 0 "[ . 1 . ]" 1
304 1 30 GLU QB 1 31 ASN H 3.900 . 5.300 2.729 2.234 3.499 . 0 0 "[ . 1 . ]" 1
305 1 31 ASN H 1 31 ASN HB2 3.900 . 4.300 2.384 2.058 2.695 . 0 0 "[ . 1 . ]" 1
306 1 31 ASN H 1 32 ALA H 2.800 . 3.100 2.845 2.292 3.255 0.155 19 0 "[ . 1 . ]" 1
307 1 31 ASN HB2 1 32 ALA H 5.000 . 5.500 3.975 2.732 4.636 . 0 0 "[ . 1 . ]" 1
308 1 31 ASN HB3 1 32 ALA H 5.000 . 5.500 3.634 2.203 4.472 . 0 0 "[ . 1 . ]" 1
309 1 32 ALA H 1 32 ALA MB 2.800 . 4.100 2.429 2.040 2.883 . 0 0 "[ . 1 . ]" 1
310 1 32 ALA HA 1 33 LYS H 3.900 . 4.300 2.823 2.201 3.632 . 0 0 "[ . 1 . ]" 1
311 1 32 ALA MB 1 33 LYS H 2.800 . 4.100 2.685 1.981 3.554 . 0 0 "[ . 1 . ]" 1
312 1 33 LYS H 1 33 LYS HA 2.800 . 3.100 2.758 2.293 3.002 . 0 0 "[ . 1 . ]" 1
313 1 33 LYS H 1 33 LYS QB 2.800 . 4.100 2.797 2.210 3.391 . 0 0 "[ . 1 . ]" 1
314 1 33 LYS H 1 33 LYS HG3 5.000 . 5.500 3.955 2.549 4.979 . 0 0 "[ . 1 . ]" 1
315 1 33 LYS H 1 34 GLU H 5.000 . 5.500 3.656 2.102 4.639 . 0 0 "[ . 1 . ]" 1
316 1 33 LYS QB 1 34 GLU H 3.900 . 5.300 2.836 1.948 4.089 . 0 0 "[ . 1 . ]" 1
317 1 33 LYS QG 1 34 GLU H 5.000 . 6.500 3.458 2.106 4.767 . 0 0 "[ . 1 . ]" 1
318 1 34 GLU H 1 34 GLU HA 2.800 . 3.100 2.872 2.291 2.997 . 0 0 "[ . 1 . ]" 1
319 1 34 GLU HA 1 34 GLU HB2 2.800 . 3.100 2.864 2.371 3.040 . 0 0 "[ . 1 . ]" 1
320 1 34 GLU HA 1 34 GLU HB3 2.800 . 3.100 2.687 2.339 3.033 . 0 0 "[ . 1 . ]" 1
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