NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484144 |
2g57   |
7001 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2g57
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 314
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 190.567
_Distance_constraint_stats_list.Viol_max 0.857
_Distance_constraint_stats_list.Viol_rms 0.0460
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0912
_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 LYS 0.526 0.117 9 0 "[ . 1]"
1 3 ALA 0.060 0.025 10 0 "[ . 1]"
1 4 ALA 0.204 0.032 2 0 "[ . 1]"
1 5 VAL 0.307 0.074 4 0 "[ . 1]"
1 6 SER 2.383 0.485 5 0 "[ . 1]"
1 7 HIS 3.344 0.557 10 1 "[ . +]"
1 8 TRP 4.135 0.685 9 1 "[ . +1]"
1 9 GLN 2.051 0.233 1 0 "[ . 1]"
1 10 GLN 4.403 0.557 10 2 "[ .- +]"
1 11 GLN 1.502 0.685 9 1 "[ . +1]"
1 12 SER 0.898 0.331 9 0 "[ . 1]"
1 13 TYR 1.154 0.500 6 1 "[ .+ 1]"
1 14 LEU 2.613 0.511 6 2 "[ .+ -]"
1 15 ASP 0.153 0.043 3 0 "[ . 1]"
1 17 GLY 1.690 0.857 3 2 "[ -+ . 1]"
1 18 ILE 2.125 0.740 4 1 "[ +. 1]"
1 19 HIS 3.022 0.857 3 2 "[ -+ . 1]"
1 21 GLY 0.752 0.484 5 0 "[ . 1]"
1 22 ALA 0.459 0.238 10 0 "[ . 1]"
1 23 THR 0.544 0.196 5 0 "[ . 1]"
1 24 THR 0.331 0.196 5 0 "[ . 1]"
1 25 THR 0.060 0.026 4 0 "[ . 1]"
1 26 ALA 0.346 0.083 9 0 "[ . 1]"
1 27 PRO 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 2 LYS H 1 2 LYS HB2 3.800 . 5.600 3.340 2.786 4.033 . 0 0 "[ . 1]" 1
2 1 2 LYS H 1 2 LYS HD3 4.000 . 6.000 5.147 4.709 5.709 . 0 0 "[ . 1]" 1
3 1 2 LYS H 1 3 ALA H 2.300 . 3.000 1.965 1.798 2.316 . 0 0 "[ . 1]" 1
4 1 2 LYS H 1 3 ALA HA 3.500 . 5.000 4.487 4.386 4.698 . 0 0 "[ . 1]" 1
5 1 2 LYS H 1 4 ALA H 2.000 . 2.500 2.512 2.486 2.532 0.032 2 0 "[ . 1]" 1
6 1 2 LYS HA 1 2 LYS HG3 3.900 . 5.800 3.370 2.994 3.749 . 0 0 "[ . 1]" 1
7 1 2 LYS HA 1 3 ALA H 3.000 . 4.100 3.534 3.502 3.576 . 0 0 "[ . 1]" 1
8 1 2 LYS HA 1 4 ALA H 3.200 . 4.500 3.791 3.688 4.002 . 0 0 "[ . 1]" 1
9 1 2 LYS HA 1 5 VAL HB 3.700 . 5.400 3.356 2.512 4.710 . 0 0 "[ . 1]" 1
10 1 2 LYS HA 1 6 SER H 2.800 . 3.800 3.723 3.556 3.820 0.020 1 0 "[ . 1]" 1
11 1 2 LYS HB2 1 2 LYS HG2 2.600 . 3.400 2.699 2.442 3.012 . 0 0 "[ . 1]" 1
12 1 2 LYS HB2 1 3 ALA H 3.500 . 5.100 3.365 2.236 4.029 . 0 0 "[ . 1]" 1
13 1 2 LYS HD3 1 2 LYS HG2 2.300 . 2.900 2.608 2.383 3.017 0.117 9 0 "[ . 1]" 1
14 1 3 ALA H 1 3 ALA MB 2.800 . 3.800 2.277 2.251 2.314 . 0 0 "[ . 1]" 1
15 1 3 ALA H 1 4 ALA H 2.000 . 2.500 2.481 2.435 2.525 0.025 10 0 "[ . 1]" 1
16 1 3 ALA H 1 5 VAL H 4.300 . 6.000 3.959 3.818 4.117 . 0 0 "[ . 1]" 1
17 1 3 ALA HA 1 4 ALA H 2.700 . 3.600 3.292 3.215 3.383 . 0 0 "[ . 1]" 1
18 1 3 ALA HA 1 5 VAL H 3.400 . 4.900 4.046 3.834 4.193 . 0 0 "[ . 1]" 1
19 1 3 ALA HA 1 6 SER H 3.200 . 4.500 4.188 3.881 4.480 . 0 0 "[ . 1]" 1
20 1 3 ALA HA 1 6 SER QB 6.000 . 6.000 4.858 4.168 5.542 . 0 0 "[ . 1]" 1
21 1 4 ALA H 1 4 ALA MB 2.800 . 3.800 2.567 2.447 2.653 . 0 0 "[ . 1]" 1
22 1 4 ALA H 1 5 VAL H 2.400 . 3.100 1.958 1.739 2.326 . 0 0 "[ . 1]" 1
23 1 4 ALA H 1 6 SER H 3.600 . 5.200 3.472 3.215 3.753 . 0 0 "[ . 1]" 1
24 1 4 ALA HA 1 5 VAL H 2.500 . 3.300 3.170 3.068 3.236 . 0 0 "[ . 1]" 1
25 1 4 ALA HA 1 6 SER H 5.000 . 6.000 4.130 3.945 4.308 . 0 0 "[ . 1]" 1
26 1 4 ALA HA 1 7 HIS H 3.000 . 4.100 3.868 3.504 4.111 0.011 10 0 "[ . 1]" 1
27 1 4 ALA HA 1 8 TRP H 4.300 . 6.000 5.134 4.464 6.000 . 10 0 "[ . 1]" 1
28 1 4 ALA MB 1 5 VAL H 3.000 . 4.100 3.421 3.351 3.519 . 0 0 "[ . 1]" 1
29 1 5 VAL H 1 5 VAL HA 2.300 . 3.000 2.941 2.929 2.949 . 0 0 "[ . 1]" 1
30 1 5 VAL H 1 5 VAL HB 2.300 . 3.000 2.871 2.676 3.074 0.074 4 0 "[ . 1]" 1
31 1 5 VAL H 1 5 VAL MG1 3.100 . 4.300 3.425 2.183 3.976 . 0 0 "[ . 1]" 1
32 1 5 VAL H 1 5 VAL MG2 3.000 . 4.100 3.026 2.488 3.968 . 0 0 "[ . 1]" 1
33 1 5 VAL H 1 6 SER H 2.500 . 3.300 1.810 1.680 1.913 0.020 10 0 "[ . 1]" 1
34 1 5 VAL H 1 8 TRP QB 4.200 . 6.000 5.719 5.010 6.048 0.048 4 0 "[ . 1]" 1
35 1 5 VAL HA 1 5 VAL HB 2.500 . 3.300 2.868 2.500 3.021 . 0 0 "[ . 1]" 1
36 1 5 VAL HA 1 5 VAL MG1 3.000 . 4.100 2.585 2.260 3.205 . 0 0 "[ . 1]" 1
37 1 5 VAL HA 1 5 VAL MG2 2.900 . 3.900 2.409 2.270 2.546 . 0 0 "[ . 1]" 1
38 1 5 VAL HA 1 6 SER H 2.500 . 6.000 3.374 3.211 3.453 . 0 0 "[ . 1]" 1
39 1 5 VAL HA 1 7 HIS H 4.100 . 6.000 4.143 3.897 4.382 . 0 0 "[ . 1]" 1
40 1 5 VAL HA 1 8 TRP H 3.300 . 4.700 4.590 4.215 4.713 0.013 1 0 "[ . 1]" 1
41 1 5 VAL HA 1 8 TRP QB 3.500 . 5.000 4.555 4.143 4.913 . 0 0 "[ . 1]" 1
42 1 5 VAL HA 1 8 TRP HD1 3.700 . 5.500 4.962 4.401 5.459 . 0 0 "[ . 1]" 1
43 1 5 VAL HA 1 8 TRP HE3 3.500 . 5.000 4.638 4.212 5.001 0.001 10 0 "[ . 1]" 1
44 1 5 VAL HA 1 8 TRP HZ3 3.700 . 5.400 4.858 4.088 5.410 0.010 10 0 "[ . 1]" 1
45 1 5 VAL MG1 1 5 VAL MG2 1.700 . 2.200 2.090 2.084 2.096 . 0 0 "[ . 1]" 1
46 1 5 VAL MG1 1 6 SER H 3.700 . 5.400 3.627 2.656 4.248 . 0 0 "[ . 1]" 1
47 1 5 VAL MG2 1 6 SER H 4.300 . 6.000 3.982 3.855 4.198 . 0 0 "[ . 1]" 1
48 1 6 SER H 1 6 SER HA 2.900 . 4.000 2.944 2.933 2.950 . 0 0 "[ . 1]" 1
49 1 6 SER H 1 6 SER QB 3.200 . 4.400 2.747 2.521 2.917 . 0 0 "[ . 1]" 1
50 1 6 SER H 1 7 HIS H 1.700 . 2.200 1.946 1.724 2.190 . 0 0 "[ . 1]" 1
51 1 6 SER H 1 8 TRP H 4.800 . 6.000 3.818 3.424 4.172 . 0 0 "[ . 1]" 1
52 1 6 SER HA 1 6 SER QB 2.500 . 3.300 2.277 2.188 2.378 . 0 0 "[ . 1]" 1
53 1 6 SER HA 1 7 HIS H 3.300 . 4.600 3.260 3.183 3.361 . 0 0 "[ . 1]" 1
54 1 6 SER HA 1 7 HIS HB2 4.200 . 6.000 5.926 5.520 6.485 0.485 5 0 "[ . 1]" 1
55 1 6 SER HA 1 7 HIS HD2 4.500 . 6.000 4.767 4.369 5.029 . 0 0 "[ . 1]" 1
56 1 6 SER HA 1 8 TRP H 4.700 . 6.000 3.562 3.358 3.798 . 0 0 "[ . 1]" 1
57 1 6 SER HA 1 8 TRP QB 4.000 . 6.000 5.551 5.346 5.695 . 0 0 "[ . 1]" 1
58 1 6 SER HA 1 9 GLN H 5.300 . 6.000 4.144 3.754 4.512 . 0 0 "[ . 1]" 1
59 1 6 SER HA 1 9 GLN HB3 4.100 . 6.000 4.732 3.402 6.154 0.154 1 0 "[ . 1]" 1
60 1 6 SER HA 1 10 GLN H 3.300 . 6.000 5.709 5.007 6.027 0.027 1 0 "[ . 1]" 1
61 1 6 SER QB 1 7 HIS HB2 4.000 . 6.000 5.535 4.661 6.309 0.309 10 0 "[ . 1]" 1
62 1 6 SER QB 1 8 TRP HD1 3.300 . 6.000 5.099 4.884 5.299 . 0 0 "[ . 1]" 1
63 1 6 SER QB 1 8 TRP HE1 4.000 . 6.000 4.986 4.761 5.176 . 0 0 "[ . 1]" 1
64 1 7 HIS H 1 7 HIS HB2 2.900 . 4.000 2.920 2.318 3.701 . 0 0 "[ . 1]" 1
65 1 7 HIS H 1 9 GLN H 5.600 . 6.000 4.146 3.893 4.317 . 0 0 "[ . 1]" 1
66 1 7 HIS HA 1 7 HIS HB3 2.500 . 3.300 2.558 2.518 2.651 . 0 0 "[ . 1]" 1
67 1 7 HIS HA 1 8 TRP H 2.700 . 3.600 3.231 3.129 3.383 . 0 0 "[ . 1]" 1
68 1 7 HIS HA 1 8 TRP HD1 5.100 . 6.000 4.694 4.526 4.940 . 0 0 "[ . 1]" 1
69 1 7 HIS HA 1 9 GLN H 3.200 . 4.500 3.480 3.331 3.689 . 0 0 "[ . 1]" 1
70 1 7 HIS HA 1 10 GLN H 4.200 . 6.000 3.479 3.291 3.719 . 0 0 "[ . 1]" 1
71 1 7 HIS HA 1 10 GLN HE22 5.300 . 6.000 3.758 2.847 5.367 . 0 0 "[ . 1]" 1
72 1 7 HIS HA 1 10 GLN QG 4.400 . 6.000 2.460 1.999 2.807 . 0 0 "[ . 1]" 1
73 1 7 HIS HA 1 11 GLN H 4.200 . 6.000 5.687 5.395 5.962 . 0 0 "[ . 1]" 1
74 1 7 HIS HB2 1 8 TRP H 3.200 . 4.500 3.988 3.361 4.450 . 0 0 "[ . 1]" 1
75 1 7 HIS HB3 1 10 GLN HE21 3.400 . 4.800 4.350 3.281 5.357 0.557 10 1 "[ . +]" 1
76 1 7 HIS HB3 1 10 GLN QG 3.400 . 4.900 4.022 3.246 5.113 0.213 4 0 "[ . 1]" 1
77 1 8 TRP H 1 8 TRP HA 2.400 . 3.100 2.917 2.880 2.940 . 0 0 "[ . 1]" 1
78 1 8 TRP H 1 8 TRP QB 2.700 . 3.600 2.784 2.598 2.877 . 0 0 "[ . 1]" 1
79 1 8 TRP H 1 8 TRP HD1 3.100 . 4.300 2.088 1.956 2.404 . 0 0 "[ . 1]" 1
80 1 8 TRP H 1 8 TRP HE3 3.700 . 5.400 5.145 4.859 5.327 . 0 0 "[ . 1]" 1
81 1 8 TRP H 1 9 GLN H 1.900 . 2.400 2.298 2.082 2.426 0.026 7 0 "[ . 1]" 1
82 1 8 TRP H 1 10 GLN H 4.000 . 6.000 4.015 3.691 4.336 . 0 0 "[ . 1]" 1
83 1 8 TRP HA 1 8 TRP QB 2.500 . 3.300 2.181 2.176 2.184 . 0 0 "[ . 1]" 1
84 1 8 TRP HA 1 8 TRP HD1 3.900 . 5.800 3.826 3.806 3.857 . 0 0 "[ . 1]" 1
85 1 8 TRP HA 1 8 TRP HE3 2.900 . 6.000 5.029 4.995 5.054 . 0 0 "[ . 1]" 1
86 1 8 TRP HA 1 9 GLN H 2.500 . 3.300 3.283 3.205 3.326 0.026 6 0 "[ . 1]" 1
87 1 8 TRP HA 1 10 GLN H 4.100 . 6.000 4.088 3.730 4.516 . 0 0 "[ . 1]" 1
88 1 8 TRP HA 1 11 GLN H 5.300 . 6.000 4.156 3.886 4.375 . 0 0 "[ . 1]" 1
89 1 8 TRP HA 1 11 GLN QG 3.500 . 5.000 2.427 2.028 3.241 . 0 0 "[ . 1]" 1
90 1 8 TRP HA 1 12 SER H 5.400 . 6.000 4.892 4.415 5.601 . 0 0 "[ . 1]" 1
91 1 8 TRP QB 1 8 TRP HE1 4.400 . 6.000 4.597 4.590 4.601 . 0 0 "[ . 1]" 1
92 1 8 TRP QB 1 8 TRP HE3 2.900 . 4.000 2.572 2.538 2.591 . 0 0 "[ . 1]" 1
93 1 8 TRP QB 1 8 TRP HH2 2.500 . 6.000 5.776 5.773 5.780 . 0 0 "[ . 1]" 1
94 1 8 TRP QB 1 8 TRP HZ2 3.800 . 5.600 5.535 5.532 5.537 . 0 0 "[ . 1]" 1
95 1 8 TRP QB 1 8 TRP HZ3 3.300 . 4.600 4.646 4.638 4.653 0.053 2 0 "[ . 1]" 1
96 1 8 TRP QB 1 9 GLN HA 3.600 . 5.200 4.503 4.429 4.568 . 0 0 "[ . 1]" 1
97 1 8 TRP QB 1 12 SER QB 3.500 . 5.000 4.577 3.724 5.006 0.006 3 0 "[ . 1]" 1
98 1 8 TRP HD1 1 9 GLN HE22 3.600 . 6.000 5.425 3.461 6.050 0.050 6 0 "[ . 1]" 1
99 1 8 TRP HD1 1 10 GLN HE21 6.000 . 6.000 6.040 5.574 6.380 0.380 10 0 "[ . 1]" 1
100 1 8 TRP HD1 1 10 GLN QG 5.000 . 6.000 5.144 4.894 5.409 . 0 0 "[ . 1]" 1
101 1 8 TRP HD1 1 12 SER H 4.500 . 6.000 6.018 5.974 6.040 0.040 9 0 "[ . 1]" 1
102 1 8 TRP HE1 1 9 GLN HB2 4.500 . 6.000 4.129 3.357 5.504 . 0 0 "[ . 1]" 1
103 1 8 TRP HE1 1 9 GLN HB3 4.100 . 6.000 4.803 3.910 5.843 . 0 0 "[ . 1]" 1
104 1 8 TRP HE3 1 11 GLN HE21 2.500 . 6.000 5.902 5.340 6.685 0.685 9 1 "[ . +1]" 1
105 1 8 TRP HH2 1 8 TRP HZ3 2.500 . 3.300 2.443 2.442 2.444 . 0 0 "[ . 1]" 1
106 1 9 GLN H 1 9 GLN HA 2.800 . 3.800 2.925 2.907 2.934 . 0 0 "[ . 1]" 1
107 1 9 GLN H 1 9 GLN HB2 2.800 . 3.800 2.816 2.343 3.601 . 0 0 "[ . 1]" 1
108 1 9 GLN H 1 9 GLN HB3 2.700 . 3.600 2.858 2.319 3.656 0.056 1 0 "[ . 1]" 1
109 1 9 GLN H 1 10 GLN H 2.500 . 3.300 2.152 2.046 2.249 . 0 0 "[ . 1]" 1
110 1 9 GLN H 1 10 GLN HE22 4.100 . 6.000 5.831 5.137 6.215 0.215 8 0 "[ . 1]" 1
111 1 9 GLN H 1 10 GLN QG 3.900 . 5.800 3.356 3.259 3.556 . 0 0 "[ . 1]" 1
112 1 9 GLN H 1 11 GLN H 5.400 . 6.000 3.876 3.753 4.123 . 0 0 "[ . 1]" 1
113 1 9 GLN HA 1 9 GLN HB2 2.800 . 3.800 2.615 2.357 3.023 . 0 0 "[ . 1]" 1
114 1 9 GLN HA 1 9 GLN HB3 2.400 . 3.100 2.803 2.332 3.023 . 0 0 "[ . 1]" 1
115 1 9 GLN HA 1 9 GLN HE21 3.300 . 4.700 3.294 1.868 4.364 0.032 4 0 "[ . 1]" 1
116 1 9 GLN HA 1 9 GLN HE22 5.000 . 6.000 4.738 3.207 5.711 . 0 0 "[ . 1]" 1
117 1 9 GLN HA 1 9 GLN HG3 3.400 . 4.900 3.213 2.520 3.696 . 0 0 "[ . 1]" 1
118 1 9 GLN HA 1 10 GLN H 2.500 . 6.000 3.450 3.350 3.539 . 0 0 "[ . 1]" 1
119 1 9 GLN HA 1 11 GLN H 2.600 . 3.500 3.369 3.179 3.498 . 0 0 "[ . 1]" 1
120 1 9 GLN HA 1 12 SER H 3.000 . 4.100 3.118 2.692 3.380 . 0 0 "[ . 1]" 1
121 1 9 GLN HA 1 12 SER QB 3.700 . 5.400 2.572 2.076 2.955 . 0 0 "[ . 1]" 1
122 1 9 GLN HA 1 13 TYR H 3.400 . 4.800 4.648 4.014 4.819 0.019 2 0 "[ . 1]" 1
123 1 9 GLN HB2 1 9 GLN HG3 2.900 . 4.000 2.556 2.221 3.010 . 0 0 "[ . 1]" 1
124 1 9 GLN HB2 1 10 GLN H 3.600 . 5.200 3.727 2.551 4.311 . 0 0 "[ . 1]" 1
125 1 9 GLN HB3 1 9 GLN HE21 2.900 . 3.900 2.794 1.894 4.133 0.233 1 0 "[ . 1]" 1
126 1 9 GLN HB3 1 9 GLN HE22 4.700 . 6.000 4.002 3.201 5.110 . 0 0 "[ . 1]" 1
127 1 9 GLN HB3 1 9 GLN HG2 2.200 . 2.800 2.614 2.236 2.969 0.169 4 0 "[ . 1]" 1
128 1 9 GLN HE21 1 9 GLN HG3 3.300 . 4.600 3.120 2.249 3.486 . 0 0 "[ . 1]" 1
129 1 9 GLN HE21 1 11 GLN QG 3.900 . 5.800 5.604 5.273 5.866 0.066 3 0 "[ . 1]" 1
130 1 10 GLN H 1 10 GLN HB2 2.500 . 6.000 3.395 2.393 3.640 . 0 0 "[ . 1]" 1
131 1 10 GLN H 1 10 GLN QG 3.100 . 4.300 1.965 1.841 2.424 0.059 9 0 "[ . 1]" 1
132 1 10 GLN H 1 11 GLN H 3.000 . 4.100 2.669 2.531 2.886 . 0 0 "[ . 1]" 1
133 1 10 GLN H 1 12 SER H 4.300 . 6.000 4.044 3.905 4.247 . 0 0 "[ . 1]" 1
134 1 10 GLN HA 1 10 GLN HB2 2.500 . 3.300 2.580 2.438 3.024 . 0 0 "[ . 1]" 1
135 1 10 GLN HA 1 10 GLN HE21 3.800 . 5.600 4.475 4.103 5.232 . 0 0 "[ . 1]" 1
136 1 10 GLN HA 1 10 GLN HE22 4.800 . 6.000 5.545 4.130 6.039 0.039 7 0 "[ . 1]" 1
137 1 10 GLN HA 1 10 GLN QG 3.200 . 4.500 3.253 2.422 3.470 . 0 0 "[ . 1]" 1
138 1 10 GLN HA 1 11 GLN H 2.200 . 6.000 3.144 2.999 3.319 . 0 0 "[ . 1]" 1
139 1 10 GLN HA 1 12 SER H 4.200 . 6.000 4.144 4.013 4.463 . 0 0 "[ . 1]" 1
140 1 10 GLN HA 1 13 TYR H 3.000 . 6.000 4.251 4.095 4.492 . 0 0 "[ . 1]" 1
141 1 10 GLN HA 1 13 TYR QD 3.200 . 4.500 2.502 2.210 2.858 . 0 0 "[ . 1]" 1
142 1 10 GLN HA 1 13 TYR QE 3.200 . 4.500 2.274 1.870 2.848 0.030 4 0 "[ . 1]" 1
143 1 10 GLN HA 1 14 LEU H 3.900 . 5.800 5.685 5.484 5.819 0.019 8 0 "[ . 1]" 1
144 1 10 GLN HB3 1 10 GLN QG 2.400 . 3.100 2.305 2.153 2.413 . 0 0 "[ . 1]" 1
145 1 10 GLN HE21 1 10 GLN QG 3.100 . 4.300 2.366 2.121 2.762 . 0 0 "[ . 1]" 1
146 1 10 GLN HE21 1 13 TYR QE 3.400 . 6.000 5.836 5.176 6.500 0.500 6 1 "[ .+ 1]" 1
147 1 11 GLN H 1 11 GLN HA 2.700 . 3.600 2.934 2.915 2.946 . 0 0 "[ . 1]" 1
148 1 11 GLN H 1 11 GLN HB2 3.200 . 4.500 3.821 3.766 3.891 . 0 0 "[ . 1]" 1
149 1 11 GLN H 1 11 GLN HB3 2.600 . 6.000 3.248 3.123 3.446 . 0 0 "[ . 1]" 1
150 1 11 GLN H 1 11 GLN QG 2.800 . 3.800 2.204 2.095 2.325 . 0 0 "[ . 1]" 1
151 1 11 GLN H 1 12 SER H 2.100 . 2.600 1.722 1.630 1.839 . 0 0 "[ . 1]" 1
152 1 11 GLN H 1 13 TYR H 5.000 . 6.000 3.417 3.165 3.649 . 0 0 "[ . 1]" 1
153 1 11 GLN HA 1 11 GLN HB2 2.900 . 4.000 2.477 2.423 2.526 . 0 0 "[ . 1]" 1
154 1 11 GLN HA 1 11 GLN HB3 2.700 . 3.600 2.423 2.366 2.478 . 0 0 "[ . 1]" 1
155 1 11 GLN HA 1 11 GLN QG 3.600 . 5.200 3.354 3.329 3.455 . 0 0 "[ . 1]" 1
156 1 11 GLN HA 1 12 SER H 2.700 . 3.600 3.367 3.264 3.488 . 0 0 "[ . 1]" 1
157 1 11 GLN HA 1 13 TYR H 3.300 . 4.700 3.711 3.572 3.857 . 0 0 "[ . 1]" 1
158 1 11 GLN HA 1 14 LEU MD2 3.500 . 5.100 3.713 2.081 4.631 . 0 0 "[ . 1]" 1
159 1 11 GLN HA 1 14 LEU HG 3.400 . 4.800 2.699 2.139 3.308 . 0 0 "[ . 1]" 1
160 1 11 GLN HA 1 15 ASP H 2.800 . 6.000 5.777 5.413 6.015 0.015 3 0 "[ . 1]" 1
161 1 11 GLN HB2 1 11 GLN QG 2.300 . 3.000 2.362 2.313 2.464 . 0 0 "[ . 1]" 1
162 1 11 GLN HB3 1 11 GLN QG 2.300 . 2.900 2.304 2.139 2.369 . 0 0 "[ . 1]" 1
163 1 11 GLN HE21 1 11 GLN QG 3.100 . 4.300 2.183 2.167 2.217 . 0 0 "[ . 1]" 1
164 1 11 GLN QG 1 12 SER H 3.400 . 4.900 2.769 2.209 3.052 . 0 0 "[ . 1]" 1
165 1 11 GLN QG 1 13 TYR QE 3.400 . 6.000 5.769 5.507 6.008 0.008 4 0 "[ . 1]" 1
166 1 12 SER H 1 12 SER HA 2.800 . 3.800 2.909 2.887 2.941 . 0 0 "[ . 1]" 1
167 1 12 SER H 1 12 SER QB 2.800 . 3.800 2.338 2.282 2.392 . 0 0 "[ . 1]" 1
168 1 12 SER H 1 13 TYR H 2.400 . 3.100 2.353 2.138 2.651 . 0 0 "[ . 1]" 1
169 1 12 SER H 1 13 TYR HB2 5.400 . 6.000 5.790 5.526 5.949 . 0 0 "[ . 1]" 1
170 1 12 SER H 1 13 TYR QD 3.700 . 5.400 3.262 2.865 3.546 . 0 0 "[ . 1]" 1
171 1 12 SER H 1 14 LEU H 3.800 . 5.600 3.967 3.867 4.252 . 0 0 "[ . 1]" 1
172 1 12 SER H 1 14 LEU MD2 4.400 . 6.000 5.676 4.603 6.331 0.331 9 0 "[ . 1]" 1
173 1 12 SER HA 1 13 TYR H 2.600 . 3.400 3.334 3.162 3.424 0.024 4 0 "[ . 1]" 1
174 1 12 SER HA 1 13 TYR HB3 4.000 . 6.000 5.476 5.310 5.559 . 0 0 "[ . 1]" 1
175 1 12 SER HA 1 14 LEU H 4.000 . 6.000 3.755 3.586 3.880 . 0 0 "[ . 1]" 1
176 1 12 SER HA 1 15 ASP H 3.600 . 5.200 4.196 3.660 4.499 . 0 0 "[ . 1]" 1
177 1 12 SER HA 1 15 ASP QB 3.800 . 5.600 4.102 3.627 4.536 . 0 0 "[ . 1]" 1
178 1 12 SER QB 1 13 TYR H 3.300 . 4.700 3.279 3.072 3.577 . 0 0 "[ . 1]" 1
179 1 12 SER QB 1 13 TYR HA 3.400 . 4.900 4.290 4.064 4.424 . 0 0 "[ . 1]" 1
180 1 12 SER QB 1 13 TYR HB2 3.300 . 6.000 5.482 5.313 5.646 . 0 0 "[ . 1]" 1
181 1 12 SER QB 1 13 TYR HB3 3.100 . 4.300 4.182 4.045 4.316 0.016 6 0 "[ . 1]" 1
182 1 12 SER QB 1 14 LEU H 3.500 . 5.000 4.768 4.653 4.913 . 0 0 "[ . 1]" 1
183 1 12 SER QB 1 15 ASP QB 2.900 . 6.000 5.462 4.981 5.847 . 0 0 "[ . 1]" 1
184 1 13 TYR H 1 13 TYR HA 2.800 . 3.800 2.929 2.908 2.949 . 0 0 "[ . 1]" 1
185 1 13 TYR H 1 13 TYR HB2 3.600 . 5.200 3.712 3.651 3.790 . 0 0 "[ . 1]" 1
186 1 13 TYR H 1 13 TYR HB3 2.700 . 3.600 2.651 2.497 2.764 . 0 0 "[ . 1]" 1
187 1 13 TYR H 1 13 TYR QD 2.800 . 3.800 2.101 1.847 2.380 . 0 0 "[ . 1]" 1
188 1 13 TYR H 1 14 LEU H 2.600 . 3.500 2.190 1.938 2.383 . 0 0 "[ . 1]" 1
189 1 13 TYR H 1 15 ASP H 3.200 . 4.500 4.045 3.864 4.227 . 0 0 "[ . 1]" 1
190 1 13 TYR HA 1 13 TYR HB2 2.600 . 3.500 2.341 2.319 2.370 . 0 0 "[ . 1]" 1
191 1 13 TYR HA 1 13 TYR HB3 2.800 . 3.800 2.582 2.542 2.619 . 0 0 "[ . 1]" 1
192 1 13 TYR HA 1 13 TYR QD 3.600 . 5.200 3.723 3.712 3.733 . 0 0 "[ . 1]" 1
193 1 13 TYR HA 1 13 TYR QE 4.200 . 6.000 5.634 5.614 5.652 . 0 0 "[ . 1]" 1
194 1 13 TYR HA 1 14 LEU H 2.500 . 3.300 3.307 3.238 3.356 0.056 10 0 "[ . 1]" 1
195 1 13 TYR HA 1 15 ASP H 3.000 . 4.100 3.391 3.267 3.715 . 0 0 "[ . 1]" 1
196 1 13 TYR HB2 1 13 TYR QD 2.400 . 3.100 2.321 2.283 2.392 . 0 0 "[ . 1]" 1
197 1 13 TYR HB2 1 13 TYR QE 4.200 . 6.000 4.393 4.382 4.413 . 0 0 "[ . 1]" 1
198 1 13 TYR HB2 1 14 LEU H 3.500 . 5.000 4.391 4.283 4.492 . 0 0 "[ . 1]" 1
199 1 13 TYR HB3 1 13 TYR QD 2.600 . 3.400 2.506 2.410 2.579 . 0 0 "[ . 1]" 1
200 1 13 TYR HB3 1 13 TYR QE 4.500 . 6.000 4.448 4.423 4.468 . 0 0 "[ . 1]" 1
201 1 13 TYR HB3 1 14 LEU H 3.600 . 5.200 4.159 4.081 4.231 . 0 0 "[ . 1]" 1
202 1 13 TYR QD 1 14 LEU H 3.500 . 5.100 3.427 3.096 3.805 . 0 0 "[ . 1]" 1
203 1 13 TYR QD 1 14 LEU MD2 3.200 . 4.500 3.601 3.343 4.168 . 0 0 "[ . 1]" 1
204 1 13 TYR QE 1 14 LEU H 4.300 . 6.000 4.627 4.395 4.891 . 0 0 "[ . 1]" 1
205 1 13 TYR QE 1 14 LEU MD2 3.200 . 4.500 2.934 2.723 3.466 . 0 0 "[ . 1]" 1
206 1 14 LEU H 1 14 LEU HA 2.500 . 3.300 2.891 2.852 2.924 . 0 0 "[ . 1]" 1
207 1 14 LEU H 1 14 LEU HB2 2.500 . 3.300 2.685 2.410 3.619 0.319 6 0 "[ . 1]" 1
208 1 14 LEU H 1 14 LEU MD1 3.900 . 5.800 3.500 2.783 3.737 . 0 0 "[ . 1]" 1
209 1 14 LEU H 1 14 LEU MD2 3.400 . 4.900 3.488 3.311 3.748 . 0 0 "[ . 1]" 1
210 1 14 LEU H 1 14 LEU HG 2.400 . 3.100 2.332 1.713 2.698 . 0 0 "[ . 1]" 1
211 1 14 LEU HA 1 14 LEU HB3 2.900 . 3.900 2.449 2.321 2.508 . 0 0 "[ . 1]" 1
212 1 14 LEU HA 1 14 LEU MD1 4.300 . 6.000 3.822 3.626 3.886 . 0 0 "[ . 1]" 1
213 1 14 LEU HA 1 14 LEU MD2 3.100 . 4.300 2.450 2.026 4.063 . 0 0 "[ . 1]" 1
214 1 14 LEU HA 1 14 LEU HG 3.100 . 4.300 3.186 2.968 3.639 . 0 0 "[ . 1]" 1
215 1 14 LEU HA 1 15 ASP H 2.500 . 3.300 3.286 3.188 3.343 0.043 3 0 "[ . 1]" 1
216 1 14 LEU HA 1 15 ASP QB 4.200 . 6.000 5.068 4.754 5.396 . 0 0 "[ . 1]" 1
217 1 14 LEU HB2 1 14 LEU MD1 2.700 . 3.600 2.302 2.255 2.343 . 0 0 "[ . 1]" 1
218 1 14 LEU HB2 1 14 LEU HG 2.000 . 2.500 2.588 2.453 3.011 0.511 6 2 "[ .+ -]" 1
219 1 14 LEU HB3 1 14 LEU MD2 2.700 . 3.600 2.322 2.220 2.377 . 0 0 "[ . 1]" 1
220 1 14 LEU MD2 1 14 LEU HG 2.200 . 2.800 2.128 2.126 2.129 . 0 0 "[ . 1]" 1
221 1 15 ASP H 1 15 ASP HA 2.600 . 3.500 2.929 2.856 2.948 . 0 0 "[ . 1]" 1
222 1 15 ASP H 1 15 ASP QB 2.800 . 3.800 2.564 2.268 2.963 . 0 0 "[ . 1]" 1
223 1 15 ASP H 1 17 GLY H 4.500 . 6.000 4.834 3.701 5.849 . 0 0 "[ . 1]" 1
224 1 15 ASP HA 1 15 ASP QB 2.600 . 3.400 2.358 2.186 2.429 . 0 0 "[ . 1]" 1
225 1 15 ASP HA 1 17 GLY H 3.600 . 5.200 3.743 3.160 4.896 . 0 0 "[ . 1]" 1
226 1 15 ASP HA 1 18 ILE MD 4.000 . 6.000 4.102 2.202 6.010 0.010 7 0 "[ . 1]" 1
227 1 15 ASP HA 1 18 ILE HG13 3.800 . 5.600 4.121 2.794 5.297 . 0 0 "[ . 1]" 1
228 1 15 ASP QB 1 17 GLY H 3.900 . 5.800 4.912 4.204 5.632 . 0 0 "[ . 1]" 1
229 1 17 GLY H 1 17 GLY HA3 2.600 . 3.400 2.764 2.400 2.956 . 0 0 "[ . 1]" 1
230 1 17 GLY H 1 18 ILE H 3.200 . 4.500 2.231 1.907 3.072 . 0 0 "[ . 1]" 1
231 1 17 GLY H 1 19 HIS H 4.500 . 6.000 4.838 2.534 6.022 0.022 4 0 "[ . 1]" 1
232 1 17 GLY HA3 1 18 ILE H 2.700 . 3.600 3.103 2.654 3.569 . 0 0 "[ . 1]" 1
233 1 17 GLY HA3 1 19 HIS H 3.700 . 5.400 4.939 3.304 6.257 0.857 3 2 "[ -+ . 1]" 1
234 1 18 ILE H 1 18 ILE HA 3.000 . 4.100 2.731 2.258 2.943 . 0 0 "[ . 1]" 1
235 1 18 ILE H 1 18 ILE HB 2.800 . 3.800 3.393 2.568 3.786 . 0 0 "[ . 1]" 1
236 1 18 ILE H 1 18 ILE MD 3.400 . 4.800 3.573 2.365 4.436 . 0 0 "[ . 1]" 1
237 1 18 ILE H 1 18 ILE HG12 2.700 . 3.600 3.025 2.037 4.340 0.740 4 1 "[ +. 1]" 1
238 1 18 ILE H 1 18 ILE HG13 3.200 . 4.500 2.796 2.148 4.266 . 0 0 "[ . 1]" 1
239 1 18 ILE H 1 19 HIS H 3.500 . 5.100 3.037 1.809 4.534 0.091 5 0 "[ . 1]" 1
240 1 18 ILE HA 1 18 ILE HB 2.800 . 3.800 2.818 2.511 3.026 . 0 0 "[ . 1]" 1
241 1 18 ILE HA 1 18 ILE HG12 3.800 . 5.600 3.207 2.496 3.706 . 0 0 "[ . 1]" 1
242 1 18 ILE HA 1 18 ILE HG13 2.800 . 3.800 3.336 2.404 3.831 0.031 8 0 "[ . 1]" 1
243 1 18 ILE HA 1 18 ILE MG 2.800 . 3.800 2.302 2.215 2.488 . 0 0 "[ . 1]" 1
244 1 18 ILE HA 1 19 HIS H 2.400 . 3.100 2.672 2.122 3.430 0.330 5 0 "[ . 1]" 1
245 1 18 ILE HA 1 22 ALA H 2.900 . 6.000 5.733 4.890 6.238 0.238 10 0 "[ . 1]" 1
246 1 18 ILE HB 1 18 ILE HG12 2.500 . 3.300 2.929 2.455 3.029 . 0 0 "[ . 1]" 1
247 1 18 ILE HB 1 18 ILE HG13 2.900 . 3.900 2.539 2.451 3.000 . 0 0 "[ . 1]" 1
248 1 18 ILE HB 1 19 HIS H 3.600 . 5.200 4.032 2.638 4.492 . 0 0 "[ . 1]" 1
249 1 18 ILE MD 1 18 ILE HG12 2.300 . 3.000 2.118 2.117 2.120 . 0 0 "[ . 1]" 1
250 1 18 ILE MD 1 18 ILE HG13 2.400 . 3.100 2.120 2.120 2.121 . 0 0 "[ . 1]" 1
251 1 18 ILE MG 1 19 HIS H 3.200 . 4.500 3.764 2.488 4.342 . 0 0 "[ . 1]" 1
252 1 18 ILE MG 1 19 HIS HD2 3.100 . 4.300 3.960 1.941 4.351 0.051 7 0 "[ . 1]" 1
253 1 19 HIS H 1 19 HIS HB2 3.400 . 4.900 3.281 2.396 3.664 . 0 0 "[ . 1]" 1
254 1 19 HIS H 1 19 HIS HB3 3.600 . 5.200 3.753 2.522 4.086 . 0 0 "[ . 1]" 1
255 1 19 HIS HA 1 19 HIS HB3 3.000 . 4.100 2.444 2.402 2.509 . 0 0 "[ . 1]" 1
256 1 19 HIS HA 1 19 HIS HD2 4.100 . 6.000 4.251 3.920 4.732 . 0 0 "[ . 1]" 1
257 1 19 HIS HA 1 21 GLY H 4.100 . 6.000 4.201 3.254 4.499 . 0 0 "[ . 1]" 1
258 1 19 HIS HB2 1 19 HIS HD2 3.300 . 4.600 2.974 2.663 3.959 . 0 0 "[ . 1]" 1
259 1 19 HIS HB2 1 21 GLY QA 3.800 . 5.600 3.949 3.521 4.736 . 0 0 "[ . 1]" 1
260 1 19 HIS HB3 1 19 HIS HD2 3.600 . 5.200 3.722 3.007 3.960 . 0 0 "[ . 1]" 1
261 1 19 HIS HB3 1 21 GLY QA 3.600 . 5.200 4.518 3.760 5.684 0.484 5 0 "[ . 1]" 1
262 1 19 HIS HD2 1 21 GLY QA 4.500 . 6.000 5.923 5.319 6.023 0.023 2 0 "[ . 1]" 1
263 1 21 GLY H 1 21 GLY QA 2.400 . 3.100 2.336 2.201 2.453 . 0 0 "[ . 1]" 1
264 1 21 GLY H 1 22 ALA H 3.300 . 4.700 2.170 1.884 2.574 0.016 6 0 "[ . 1]" 1
265 1 21 GLY H 1 23 THR H 4.400 . 6.000 4.120 3.831 4.499 . 0 0 "[ . 1]" 1
266 1 21 GLY QA 1 22 ALA H 3.100 . 4.300 2.880 2.660 2.921 . 0 0 "[ . 1]" 1
267 1 21 GLY QA 1 23 THR H 4.400 . 6.000 3.183 3.032 3.478 . 0 0 "[ . 1]" 1
268 1 21 GLY QA 1 24 THR HA 3.900 . 5.800 5.523 5.134 5.857 0.057 5 0 "[ . 1]" 1
269 1 21 GLY QA 1 25 THR H 6.000 . 6.000 3.918 3.101 5.576 . 0 0 "[ . 1]" 1
270 1 22 ALA H 1 22 ALA HA 2.700 . 3.600 2.848 2.275 2.948 . 0 0 "[ . 1]" 1
271 1 22 ALA H 1 22 ALA MB 2.800 . 3.800 2.376 2.265 2.960 . 0 0 "[ . 1]" 1
272 1 22 ALA H 1 23 THR H 2.800 . 3.800 2.575 2.292 2.725 . 0 0 "[ . 1]" 1
273 1 22 ALA H 1 24 THR H 4.800 . 6.000 4.341 4.083 4.638 . 0 0 "[ . 1]" 1
274 1 22 ALA HA 1 23 THR H 2.600 . 3.500 3.162 3.061 3.323 . 0 0 "[ . 1]" 1
275 1 22 ALA HA 1 24 THR H 4.400 . 6.000 4.254 3.677 4.850 . 0 0 "[ . 1]" 1
276 1 22 ALA HA 1 26 ALA H 3.600 . 6.000 5.513 4.506 6.017 0.017 8 0 "[ . 1]" 1
277 1 22 ALA MB 1 23 THR H 3.200 . 4.500 3.414 3.145 3.523 . 0 0 "[ . 1]" 1
278 1 23 THR H 1 23 THR HA 3.000 . 4.100 2.872 2.265 2.949 . 0 0 "[ . 1]" 1
279 1 23 THR H 1 23 THR MG 3.500 . 5.100 3.270 2.096 3.887 . 0 0 "[ . 1]" 1
280 1 23 THR H 1 24 THR H 1.800 . 2.200 2.054 1.778 2.396 0.196 5 0 "[ . 1]" 1
281 1 23 THR H 1 25 THR H 4.100 . 6.000 3.374 3.001 4.164 . 0 0 "[ . 1]" 1
282 1 23 THR HA 1 23 THR HB 2.900 . 3.900 2.761 2.416 3.026 . 0 0 "[ . 1]" 1
283 1 23 THR HA 1 23 THR MG 2.800 . 3.800 2.691 2.337 3.208 . 0 0 "[ . 1]" 1
284 1 23 THR HA 1 24 THR H 3.000 . 4.100 3.348 2.996 3.551 . 0 0 "[ . 1]" 1
285 1 23 THR HA 1 25 THR H 3.700 . 5.400 4.483 3.810 4.934 . 0 0 "[ . 1]" 1
286 1 23 THR HA 1 26 ALA H 4.600 . 6.000 5.081 3.221 6.083 0.083 9 0 "[ . 1]" 1
287 1 23 THR HB 1 26 ALA MB 2.600 . 6.000 5.453 4.476 6.051 0.051 5 0 "[ . 1]" 1
288 1 24 THR H 1 24 THR HA 3.000 . 4.100 2.896 2.760 2.947 . 0 0 "[ . 1]" 1
289 1 24 THR H 1 24 THR HB 3.200 . 4.400 3.392 2.639 3.885 . 0 0 "[ . 1]" 1
290 1 24 THR H 1 24 THR MG 3.300 . 4.600 3.318 2.396 4.041 . 0 0 "[ . 1]" 1
291 1 24 THR H 1 25 THR H 1.700 . 2.200 2.069 1.719 2.226 0.026 4 0 "[ . 1]" 1
292 1 24 THR H 1 26 ALA H 4.600 . 6.000 3.248 2.528 4.681 . 0 0 "[ . 1]" 1
293 1 24 THR HA 1 24 THR MG 3.200 . 4.500 2.396 2.175 3.206 . 0 0 "[ . 1]" 1
294 1 24 THR HA 1 25 THR H 2.900 . 3.900 3.176 2.797 3.549 . 0 0 "[ . 1]" 1
295 1 24 THR HA 1 27 PRO QG 4.000 . 6.000 4.671 3.351 5.538 . 0 0 "[ . 1]" 1
296 1 24 THR HB 1 25 THR H 3.500 . 5.000 3.890 2.510 4.586 . 0 0 "[ . 1]" 1
297 1 24 THR HB 1 26 ALA H 5.000 . 6.000 4.564 3.221 5.925 . 0 0 "[ . 1]" 1
298 1 25 THR H 1 25 THR HB 3.300 . 4.600 3.554 2.803 4.016 . 0 0 "[ . 1]" 1
299 1 25 THR H 1 25 THR MG 3.500 . 5.100 2.819 1.920 3.999 . 0 0 "[ . 1]" 1
300 1 25 THR H 1 26 ALA H 3.300 . 4.600 2.628 2.011 3.673 . 0 0 "[ . 1]" 1
301 1 25 THR HA 1 25 THR MG 3.400 . 4.800 2.614 2.262 3.209 . 0 0 "[ . 1]" 1
302 1 25 THR HA 1 26 ALA H 3.000 . 4.100 3.021 2.269 3.307 . 0 0 "[ . 1]" 1
303 1 25 THR HB 1 25 THR MG 3.100 . 4.300 2.134 2.133 2.136 . 0 0 "[ . 1]" 1
304 1 25 THR HB 1 26 ALA H 3.600 . 5.200 4.284 3.774 4.512 . 0 0 "[ . 1]" 1
305 1 25 THR MG 1 26 ALA H 3.500 . 5.100 3.997 2.882 4.305 . 0 0 "[ . 1]" 1
306 1 26 ALA H 1 26 ALA MB 2.900 . 4.000 2.654 2.242 2.877 . 0 0 "[ . 1]" 1
307 1 26 ALA HA 1 26 ALA MB 3.300 . 4.700 2.126 2.123 2.128 . 0 0 "[ . 1]" 1
308 1 26 ALA HA 1 27 PRO HD2 3.300 . 4.700 3.291 2.109 4.211 . 0 0 "[ . 1]" 1
309 1 26 ALA HA 1 27 PRO HD3 3.400 . 4.800 3.261 2.205 4.235 . 0 0 "[ . 1]" 1
310 1 26 ALA MB 1 27 PRO QG 4.100 . 6.000 4.196 3.247 4.951 . 0 0 "[ . 1]" 1
311 1 27 PRO HB2 1 27 PRO QG 2.000 . 2.300 2.224 2.181 2.246 . 0 0 "[ . 1]" 1
312 1 27 PRO HB3 1 27 PRO HD3 4.100 . 6.000 3.731 2.963 4.056 . 0 0 "[ . 1]" 1
313 1 27 PRO HB3 1 27 PRO QG 2.100 . 2.700 2.200 2.180 2.245 . 0 0 "[ . 1]" 1
314 1 27 PRO HD3 1 27 PRO QG 3.000 . 4.100 2.200 2.184 2.237 . 0 0 "[ . 1]" 1
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