NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512787 |
2lcv   |
17634 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcv
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 531
_Distance_constraint_stats_list.Viol_count 1138
_Distance_constraint_stats_list.Viol_total 1069.755
_Distance_constraint_stats_list.Viol_max 0.644
_Distance_constraint_stats_list.Viol_rms 0.0429
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0166
_Distance_constraint_stats_list.Viol_average_violations_only 0.0855
_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 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 2 ALA 2.542 0.185 2 0 "[ . 1 ]"
1 3 THR 3.191 0.190 11 0 "[ . 1 ]"
1 4 MET 0.000 0.000 . 0 "[ . 1 ]"
1 5 LYS 3.904 0.644 6 1 "[ .+ 1 ]"
1 6 ASP 6.465 0.340 8 0 "[ . 1 ]"
1 7 VAL 8.065 0.194 2 0 "[ . 1 ]"
1 8 ALA 1.203 0.252 11 0 "[ . 1 ]"
1 9 LEU 7.097 0.314 3 0 "[ . 1 ]"
1 10 LYS 1.495 0.143 6 0 "[ . 1 ]"
1 11 ALA 2.010 0.229 7 0 "[ . 1 ]"
1 12 LYS 6.503 0.270 4 0 "[ . 1 ]"
1 13 VAL 4.374 0.270 4 0 "[ . 1 ]"
1 14 SER 2.159 0.150 3 0 "[ . 1 ]"
1 15 THR 0.949 0.144 8 0 "[ . 1 ]"
1 16 ALA 0.096 0.041 3 0 "[ . 1 ]"
1 17 THR 1.941 0.222 11 0 "[ . 1 ]"
1 18 VAL 3.790 0.218 1 0 "[ . 1 ]"
1 19 SER 0.098 0.064 9 0 "[ . 1 ]"
1 20 ARG 1.236 0.280 8 0 "[ . 1 ]"
1 21 ALA 2.693 0.280 8 0 "[ . 1 ]"
1 22 LEU 3.625 0.259 6 0 "[ . 1 ]"
1 23 MET 0.279 0.117 10 0 "[ . 1 ]"
1 24 ASN 0.394 0.165 4 0 "[ . 1 ]"
1 25 PRO 0.056 0.056 3 0 "[ . 1 ]"
1 26 ASP 2.498 0.294 1 0 "[ . 1 ]"
1 27 LYS 3.448 0.358 3 0 "[ . 1 ]"
1 28 VAL 3.391 0.222 11 0 "[ . 1 ]"
1 29 SER 4.979 0.358 3 0 "[ . 1 ]"
1 30 GLN 5.142 0.228 11 0 "[ . 1 ]"
1 31 ALA 4.857 0.180 4 0 "[ . 1 ]"
1 32 THR 3.956 0.180 4 0 "[ . 1 ]"
1 33 ARG 4.001 0.176 9 0 "[ . 1 ]"
1 34 ASN 3.430 0.250 11 0 "[ . 1 ]"
1 35 ARG 5.161 0.229 7 0 "[ . 1 ]"
1 36 VAL 5.116 0.195 10 0 "[ . 1 ]"
1 37 GLU 3.180 0.330 11 0 "[ . 1 ]"
1 38 LYS 3.880 0.200 11 0 "[ . 1 ]"
1 39 ALA 1.070 0.122 7 0 "[ . 1 ]"
1 40 ALA 0.627 0.074 9 0 "[ . 1 ]"
1 41 ARG 3.466 0.219 4 0 "[ . 1 ]"
1 42 GLU 5.551 0.250 4 0 "[ . 1 ]"
1 43 VAL 4.358 0.340 8 0 "[ . 1 ]"
1 44 GLY 0.598 0.120 1 0 "[ . 1 ]"
1 45 TYR 2.652 0.319 6 0 "[ . 1 ]"
1 46 LEU 4.324 0.319 6 0 "[ . 1 ]"
1 47 PRO 1.550 0.151 3 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 ALA HA 1 2 ALA H 2.380 . 2.860 2.365 2.157 2.769 . 0 0 "[ . 1 ]" 1
2 1 2 ALA H 1 2 ALA HA 3.300 2.600 4.000 2.912 2.889 2.946 . 0 0 "[ . 1 ]" 1
3 1 2 ALA H 1 2 ALA MB 2.900 2.300 3.500 2.228 2.120 2.270 0.180 11 0 "[ . 1 ]" 1
4 1 2 ALA H 1 7 VAL QG 5.000 . 6.000 6.073 5.509 6.185 0.185 2 0 "[ . 1 ]" 1
5 1 2 ALA H 1 43 VAL QG 4.000 . 5.000 3.980 3.547 4.335 . 0 0 "[ . 1 ]" 1
6 1 2 ALA HA 1 2 ALA MB 2.800 2.100 3.500 2.135 2.109 2.141 . 0 0 "[ . 1 ]" 1
7 1 2 ALA MB 1 43 VAL QG 5.000 . 5.100 2.018 1.880 2.145 0.120 7 0 "[ . 1 ]" 1
8 1 2 ALA MB 1 44 GLY QA 6.000 3.000 6.100 5.677 4.945 6.112 0.012 4 0 "[ . 1 ]" 1
9 1 2 ALA MB 1 45 TYR QB 5.000 . 5.100 4.809 3.959 5.177 0.077 7 0 "[ . 1 ]" 1
10 1 3 THR H 1 3 THR HA 3.300 2.600 4.000 2.929 2.828 2.945 . 0 0 "[ . 1 ]" 1
11 1 3 THR H 1 3 THR HB 3.000 2.300 3.700 3.371 2.668 3.871 0.171 10 0 "[ . 1 ]" 1
12 1 3 THR H 1 3 THR MG 3.200 2.500 3.800 3.456 2.972 3.954 0.154 3 0 "[ . 1 ]" 1
13 1 3 THR H 1 4 MET H 2.800 . 4.800 4.403 4.360 4.628 . 0 0 "[ . 1 ]" 1
14 1 3 THR H 1 7 VAL QG 5.000 . 5.100 3.800 3.319 5.117 0.017 4 0 "[ . 1 ]" 1
15 1 3 THR H 1 43 VAL QG 4.000 . 5.000 3.391 2.832 4.748 . 0 0 "[ . 1 ]" 1
16 1 3 THR HA 1 3 THR HB 3.400 2.600 4.100 2.749 2.468 3.027 0.132 10 0 "[ . 1 ]" 1
17 1 3 THR HA 1 3 THR MG 3.000 2.400 3.600 2.302 2.210 2.322 0.190 11 0 "[ . 1 ]" 1
18 1 3 THR HA 1 4 MET H 3.200 2.200 3.700 2.263 2.230 2.391 . 0 0 "[ . 1 ]" 1
19 1 3 THR HA 1 5 LYS H 4.400 3.900 4.900 4.098 3.906 4.367 . 0 0 "[ . 1 ]" 1
20 1 3 THR HA 1 6 ASP H 3.400 2.600 4.600 4.562 4.487 4.647 0.047 4 0 "[ . 1 ]" 1
21 1 3 THR HA 1 7 VAL H 4.200 2.800 5.600 5.434 5.206 5.787 0.187 4 0 "[ . 1 ]" 1
22 1 3 THR HB 1 3 THR MG 3.500 . 4.200 2.144 2.132 2.150 . 0 0 "[ . 1 ]" 1
23 1 3 THR HG1 1 45 TYR QE 5.000 . 5.100 3.422 2.312 5.106 0.006 8 0 "[ . 1 ]" 1
24 1 4 MET H 1 4 MET HA 3.300 2.600 4.000 2.773 2.760 2.801 . 0 0 "[ . 1 ]" 1
25 1 4 MET H 1 5 LYS H 2.800 2.500 3.100 2.769 2.674 2.811 . 0 0 "[ . 1 ]" 1
26 1 4 MET H 1 6 ASP H 4.200 3.900 4.500 4.366 4.267 4.444 . 0 0 "[ . 1 ]" 1
27 1 4 MET HA 1 5 LYS H 3.500 3.300 3.700 3.522 3.482 3.543 . 0 0 "[ . 1 ]" 1
28 1 4 MET HA 1 6 ASP H 4.400 4.100 4.700 4.439 4.240 4.563 . 0 0 "[ . 1 ]" 1
29 1 4 MET HA 1 7 VAL H 3.400 2.600 4.200 3.436 3.309 3.515 . 0 0 "[ . 1 ]" 1
30 1 4 MET HA 1 8 ALA H 4.200 3.700 4.700 4.592 4.459 4.693 . 0 0 "[ . 1 ]" 1
31 1 5 LYS H 1 5 LYS HA 3.100 2.500 3.700 2.825 2.809 2.835 . 0 0 "[ . 1 ]" 1
32 1 5 LYS H 1 5 LYS QB 2.900 2.200 3.600 2.268 2.096 2.326 0.104 11 0 "[ . 1 ]" 1
33 1 5 LYS H 1 5 LYS QE 4.200 3.400 5.000 4.560 4.066 4.882 . 0 0 "[ . 1 ]" 1
34 1 5 LYS H 1 5 LYS QG 3.200 2.500 3.900 3.078 2.353 3.947 0.147 3 0 "[ . 1 ]" 1
35 1 5 LYS H 1 6 ASP H 2.800 2.600 3.000 2.676 2.640 2.742 . 0 0 "[ . 1 ]" 1
36 1 5 LYS H 1 6 ASP HA 4.220 2.110 5.120 5.271 5.245 5.316 0.196 2 0 "[ . 1 ]" 1
37 1 5 LYS H 1 7 VAL H 4.200 3.700 4.700 4.063 4.012 4.149 . 0 0 "[ . 1 ]" 1
38 1 5 LYS HA 1 5 LYS QB 2.900 2.300 3.500 2.394 2.186 2.525 0.114 6 0 "[ . 1 ]" 1
39 1 5 LYS HA 1 5 LYS QE 3.500 2.200 4.700 4.320 3.891 5.344 0.644 6 1 "[ .+ 1 ]" 1
40 1 5 LYS HA 1 5 LYS QG 2.900 2.300 3.500 2.426 2.185 3.289 0.115 11 0 "[ . 1 ]" 1
41 1 5 LYS HA 1 6 ASP H 3.500 3.300 3.700 3.555 3.537 3.576 . 0 0 "[ . 1 ]" 1
42 1 5 LYS HA 1 7 VAL H 4.400 4.200 4.600 4.255 4.196 4.353 0.004 9 0 "[ . 1 ]" 1
43 1 5 LYS HA 1 8 ALA H 3.400 3.200 3.600 3.506 3.351 3.569 . 0 0 "[ . 1 ]" 1
44 1 5 LYS HA 1 9 LEU H 4.200 3.500 4.900 4.925 4.796 5.000 0.100 7 0 "[ . 1 ]" 1
45 1 6 ASP H 1 6 ASP HA 3.300 2.600 4.000 2.800 2.780 2.815 . 0 0 "[ . 1 ]" 1
46 1 6 ASP H 1 6 ASP QB 2.900 2.300 3.500 2.250 2.116 2.335 0.184 11 0 "[ . 1 ]" 1
47 1 6 ASP H 1 7 VAL H 2.800 2.600 3.000 2.671 2.621 2.730 . 0 0 "[ . 1 ]" 1
48 1 6 ASP H 1 7 VAL HA 4.170 . 5.200 5.259 5.213 5.310 0.110 2 0 "[ . 1 ]" 1
49 1 6 ASP H 1 7 VAL HB 3.950 . 5.040 4.782 4.721 4.847 . 0 0 "[ . 1 ]" 1
50 1 6 ASP H 1 7 VAL MG1 4.750 2.400 5.750 5.877 5.836 5.914 0.164 11 0 "[ . 1 ]" 1
51 1 6 ASP H 1 8 ALA H 4.200 4.000 4.400 4.304 4.244 4.358 . 0 0 "[ . 1 ]" 1
52 1 6 ASP HA 1 6 ASP QB 3.000 2.400 3.600 2.424 2.360 2.530 0.040 8 0 "[ . 1 ]" 1
53 1 6 ASP HA 1 7 VAL H 3.500 3.300 3.700 3.528 3.501 3.545 . 0 0 "[ . 1 ]" 1
54 1 6 ASP HA 1 8 ALA H 4.400 3.900 4.900 4.360 4.310 4.390 . 0 0 "[ . 1 ]" 1
55 1 6 ASP HA 1 9 LEU H 3.400 3.200 3.600 3.527 3.436 3.650 0.050 11 0 "[ . 1 ]" 1
56 1 6 ASP HA 1 9 LEU QD 6.000 3.000 6.100 3.948 2.867 4.564 0.133 10 0 "[ . 1 ]" 1
57 1 6 ASP HA 1 10 LYS H 4.200 3.400 5.000 4.706 4.186 5.026 0.026 5 0 "[ . 1 ]" 1
58 1 6 ASP HA 1 18 VAL QG 6.000 2.900 6.100 5.956 5.736 6.147 0.047 2 0 "[ . 1 ]" 1
59 1 6 ASP HA 1 43 VAL QG 5.000 . 6.100 6.247 6.168 6.440 0.340 8 0 "[ . 1 ]" 1
60 1 6 ASP QB 1 7 VAL H 3.210 . 3.850 2.700 2.588 2.761 . 0 0 "[ . 1 ]" 1
61 1 6 ASP QB 1 43 VAL QG 5.000 . 5.100 4.029 3.886 4.248 . 0 0 "[ . 1 ]" 1
62 1 7 VAL H 1 7 VAL HA 3.300 2.600 4.000 2.801 2.791 2.811 . 0 0 "[ . 1 ]" 1
63 1 7 VAL H 1 7 VAL HB 2.700 2.100 3.300 2.412 2.379 2.446 . 0 0 "[ . 1 ]" 1
64 1 7 VAL H 1 7 VAL MG2 3.100 2.300 3.900 2.196 2.161 2.230 0.139 10 0 "[ . 1 ]" 1
65 1 7 VAL H 1 8 ALA H 2.800 2.600 3.000 2.713 2.687 2.740 . 0 0 "[ . 1 ]" 1
66 1 7 VAL H 1 8 ALA MB 3.790 . 4.550 4.334 4.240 4.366 . 0 0 "[ . 1 ]" 1
67 1 7 VAL H 1 9 LEU H 4.200 3.700 4.700 4.252 4.157 4.386 . 0 0 "[ . 1 ]" 1
68 1 7 VAL H 1 43 VAL HB 5.000 . 6.000 5.904 5.396 6.194 0.194 2 0 "[ . 1 ]" 1
69 1 7 VAL H 1 43 VAL QG 4.500 2.500 5.500 3.958 3.835 4.196 . 0 0 "[ . 1 ]" 1
70 1 7 VAL HA 1 7 VAL HB 2.700 . 3.400 3.025 3.022 3.028 . 0 0 "[ . 1 ]" 1
71 1 7 VAL HA 1 7 VAL MG1 3.200 2.500 3.900 2.401 2.370 2.421 0.130 11 0 "[ . 1 ]" 1
72 1 7 VAL HA 1 7 VAL MG2 3.600 . 4.300 2.293 2.228 2.349 . 0 0 "[ . 1 ]" 1
73 1 7 VAL HA 1 8 ALA H 3.500 3.000 4.000 3.546 3.539 3.551 . 0 0 "[ . 1 ]" 1
74 1 7 VAL HA 1 9 LEU H 3.400 3.100 4.200 4.233 4.102 4.360 0.160 10 0 "[ . 1 ]" 1
75 1 7 VAL HA 1 10 LYS QB 6.000 . 6.100 2.742 2.452 3.118 . 0 0 "[ . 1 ]" 1
76 1 7 VAL HA 1 10 LYS QG 6.000 3.000 6.100 4.235 2.998 4.947 0.002 5 0 "[ . 1 ]" 1
77 1 7 VAL HA 1 11 ALA H 4.200 3.700 4.700 4.101 3.793 4.647 . 0 0 "[ . 1 ]" 1
78 1 7 VAL HA 1 39 ALA MB 5.000 . 5.100 4.773 4.414 5.222 0.122 7 0 "[ . 1 ]" 1
79 1 7 VAL HA 1 43 VAL QG 5.000 . 5.100 4.443 4.003 5.162 0.062 6 0 "[ . 1 ]" 1
80 1 7 VAL HB 1 7 VAL MG1 3.400 . 4.100 2.144 2.139 2.147 . 0 0 "[ . 1 ]" 1
81 1 7 VAL HB 1 7 VAL MG2 3.500 . 4.200 2.148 2.145 2.153 . 0 0 "[ . 1 ]" 1
82 1 7 VAL HB 1 8 ALA H 3.310 . 3.970 2.590 2.560 2.629 . 0 0 "[ . 1 ]" 1
83 1 7 VAL QG 1 40 ALA HA 5.000 . 5.100 3.933 3.217 4.855 . 0 0 "[ . 1 ]" 1
84 1 7 VAL QG 1 43 VAL QG 5.000 . 6.000 2.015 1.816 2.641 0.184 4 0 "[ . 1 ]" 1
85 1 7 VAL QG 1 45 TYR QB 5.000 . 5.100 4.758 4.492 5.186 0.086 2 0 "[ . 1 ]" 1
86 1 7 VAL MG1 1 8 ALA H 3.850 . 4.620 3.272 3.202 3.361 . 0 0 "[ . 1 ]" 1
87 1 7 VAL MG2 1 8 ALA H 3.520 . 4.220 3.908 3.873 3.931 . 0 0 "[ . 1 ]" 1
88 1 8 ALA H 1 8 ALA HA 3.300 2.600 4.000 2.774 2.760 2.794 . 0 0 "[ . 1 ]" 1
89 1 8 ALA H 1 8 ALA MB 3.000 2.300 3.700 2.202 2.048 2.240 0.252 11 0 "[ . 1 ]" 1
90 1 8 ALA H 1 9 LEU H 2.800 2.500 3.100 2.797 2.744 2.872 . 0 0 "[ . 1 ]" 1
91 1 8 ALA H 1 10 LYS H 4.200 3.700 4.700 4.282 4.160 4.343 . 0 0 "[ . 1 ]" 1
92 1 8 ALA HA 1 8 ALA MB 2.700 2.100 3.300 2.138 2.110 2.144 . 0 0 "[ . 1 ]" 1
93 1 8 ALA HA 1 9 LEU H 3.500 3.000 4.000 3.537 3.510 3.557 . 0 0 "[ . 1 ]" 1
94 1 8 ALA HA 1 10 LYS H 4.400 3.900 4.900 4.472 4.295 4.763 . 0 0 "[ . 1 ]" 1
95 1 8 ALA HA 1 11 ALA H 3.400 2.900 3.900 3.473 3.261 3.645 . 0 0 "[ . 1 ]" 1
96 1 8 ALA HA 1 11 ALA MB 5.700 2.700 5.800 2.919 2.672 3.204 0.028 9 0 "[ . 1 ]" 1
97 1 8 ALA HA 1 12 LYS H 4.200 3.700 4.700 4.331 3.669 4.743 0.043 10 0 "[ . 1 ]" 1
98 1 8 ALA HA 1 13 VAL QG 5.800 . 6.100 2.458 2.146 3.522 . 0 0 "[ . 1 ]" 1
99 1 8 ALA MB 1 9 LEU H 3.670 . 4.400 2.522 2.378 2.652 . 0 0 "[ . 1 ]" 1
100 1 9 LEU H 1 9 LEU HA 3.300 2.600 4.000 2.821 2.800 2.844 . 0 0 "[ . 1 ]" 1
101 1 9 LEU H 1 9 LEU QB 2.900 2.300 3.500 2.244 2.156 2.279 0.144 3 0 "[ . 1 ]" 1
102 1 9 LEU H 1 9 LEU MD1 4.100 3.300 4.900 4.018 3.340 4.291 . 0 0 "[ . 1 ]" 1
103 1 9 LEU H 1 9 LEU MD2 4.800 3.800 5.800 4.103 3.486 4.311 0.314 3 0 "[ . 1 ]" 1
104 1 9 LEU H 1 9 LEU HG 3.100 2.400 4.400 4.298 2.618 4.607 0.207 8 0 "[ . 1 ]" 1
105 1 9 LEU H 1 10 LYS H 2.800 2.600 3.000 2.687 2.626 2.752 . 0 0 "[ . 1 ]" 1
106 1 9 LEU H 1 10 LYS QB 4.560 2.280 5.470 4.517 4.388 4.736 . 0 0 "[ . 1 ]" 1
107 1 9 LEU H 1 11 ALA H 4.200 3.700 4.700 4.083 3.874 4.355 . 0 0 "[ . 1 ]" 1
108 1 9 LEU HA 1 9 LEU QB 2.600 2.100 3.100 2.387 2.335 2.497 . 0 0 "[ . 1 ]" 1
109 1 9 LEU HA 1 9 LEU MD1 3.000 2.200 3.800 2.420 2.067 3.775 0.133 4 0 "[ . 1 ]" 1
110 1 9 LEU HA 1 9 LEU MD2 2.900 2.100 3.700 3.296 2.066 3.893 0.193 11 0 "[ . 1 ]" 1
111 1 9 LEU HA 1 9 LEU HG 3.100 2.500 3.700 3.058 2.373 3.597 0.127 9 0 "[ . 1 ]" 1
112 1 9 LEU HA 1 12 LYS H 3.400 2.900 3.900 3.426 3.274 3.796 . 0 0 "[ . 1 ]" 1
113 1 9 LEU QB 1 9 LEU MD1 2.800 2.200 3.400 2.234 2.114 2.306 0.086 10 0 "[ . 1 ]" 1
114 1 9 LEU QB 1 9 LEU MD2 2.700 2.100 3.300 2.121 2.077 2.186 0.023 11 0 "[ . 1 ]" 1
115 1 9 LEU QD 1 10 LYS H 4.590 2.290 5.510 3.705 2.800 4.126 . 0 0 "[ . 1 ]" 1
116 1 9 LEU MD1 1 9 LEU HG 2.800 2.200 3.400 2.142 2.134 2.152 0.066 9 0 "[ . 1 ]" 1
117 1 9 LEU MD2 1 9 LEU HG 2.900 2.300 3.500 2.147 2.127 2.155 0.173 3 0 "[ . 1 ]" 1
118 1 10 LYS H 1 10 LYS HA 3.300 2.600 4.000 2.836 2.815 2.882 . 0 0 "[ . 1 ]" 1
119 1 10 LYS H 1 10 LYS QB 2.500 . 3.100 2.292 2.213 2.393 . 0 0 "[ . 1 ]" 1
120 1 10 LYS H 1 10 LYS QG 3.200 2.200 4.200 3.338 2.225 3.961 . 0 0 "[ . 1 ]" 1
121 1 10 LYS H 1 11 ALA H 2.800 2.600 3.000 2.616 2.564 2.680 0.036 7 0 "[ . 1 ]" 1
122 1 10 LYS H 1 11 ALA MB 4.890 2.450 5.870 4.359 4.228 4.431 . 0 0 "[ . 1 ]" 1
123 1 10 LYS H 1 12 LYS H 4.200 3.700 4.700 3.751 3.557 3.857 0.143 6 0 "[ . 1 ]" 1
124 1 10 LYS HA 1 10 LYS QB 2.800 2.200 3.400 2.391 2.373 2.457 . 0 0 "[ . 1 ]" 1
125 1 10 LYS HA 1 10 LYS QG 2.900 2.300 3.500 2.348 2.228 2.642 0.072 11 0 "[ . 1 ]" 1
126 1 10 LYS HA 1 11 ALA H 3.500 3.000 4.000 3.527 3.492 3.553 . 0 0 "[ . 1 ]" 1
127 1 10 LYS HA 1 12 LYS H 3.500 3.000 4.000 3.822 3.722 3.878 . 0 0 "[ . 1 ]" 1
128 1 10 LYS QB 1 10 LYS QG 2.800 2.200 3.400 2.106 2.060 2.112 0.140 5 0 "[ . 1 ]" 1
129 1 10 LYS QB 1 11 ALA H 3.490 . 4.190 2.590 2.273 2.725 . 0 0 "[ . 1 ]" 1
130 1 10 LYS QG 1 11 ALA H 3.310 . 4.070 3.876 3.649 4.146 0.076 4 0 "[ . 1 ]" 1
131 1 10 LYS QG 1 11 ALA MB 6.000 3.000 6.100 4.482 3.917 5.250 . 0 0 "[ . 1 ]" 1
132 1 11 ALA H 1 11 ALA HA 3.300 2.600 4.000 2.932 2.848 2.950 . 0 0 "[ . 1 ]" 1
133 1 11 ALA H 1 11 ALA MB 3.600 . 4.300 2.228 2.160 2.310 . 0 0 "[ . 1 ]" 1
134 1 11 ALA H 1 12 LYS H 2.800 2.400 3.000 2.426 2.314 2.569 0.086 5 0 "[ . 1 ]" 1
135 1 11 ALA H 1 12 LYS HA 3.850 . 5.780 4.550 4.472 4.821 . 0 0 "[ . 1 ]" 1
136 1 11 ALA H 1 13 VAL H 3.800 3.300 4.300 3.877 3.692 4.466 0.166 6 0 "[ . 1 ]" 1
137 1 11 ALA HA 1 11 ALA MB 2.600 . 3.200 2.133 2.123 2.141 . 0 0 "[ . 1 ]" 1
138 1 11 ALA MB 1 12 LYS H 4.840 2.420 5.810 3.352 3.118 3.476 . 0 0 "[ . 1 ]" 1
139 1 11 ALA MB 1 18 VAL QG 5.000 . 6.000 5.293 3.960 6.078 0.078 4 0 "[ . 1 ]" 1
140 1 11 ALA MB 1 35 ARG HA 5.000 . 6.000 6.042 5.578 6.229 0.229 7 0 "[ . 1 ]" 1
141 1 11 ALA MB 1 35 ARG QB 5.000 . 5.100 3.789 3.479 4.060 . 0 0 "[ . 1 ]" 1
142 1 11 ALA MB 1 36 VAL HA 5.000 . 5.100 4.872 4.203 5.188 0.088 9 0 "[ . 1 ]" 1
143 1 11 ALA MB 1 36 VAL QG 5.000 . 5.100 3.752 3.235 4.260 . 0 0 "[ . 1 ]" 1
144 1 12 LYS H 1 12 LYS HA 3.000 2.300 3.700 2.317 2.289 2.339 0.011 6 0 "[ . 1 ]" 1
145 1 12 LYS H 1 12 LYS QB 4.100 2.500 4.900 2.955 2.753 3.228 . 0 0 "[ . 1 ]" 1
146 1 12 LYS H 1 12 LYS QD 4.900 3.900 5.900 4.643 4.211 4.909 . 0 0 "[ . 1 ]" 1
147 1 12 LYS H 1 12 LYS QE 5.600 4.500 6.700 5.389 4.582 6.361 . 0 0 "[ . 1 ]" 1
148 1 12 LYS H 1 12 LYS QG 4.000 2.500 5.200 3.258 2.411 3.976 0.089 8 0 "[ . 1 ]" 1
149 1 12 LYS H 1 13 VAL H 3.030 . 3.640 2.956 2.891 3.069 . 0 0 "[ . 1 ]" 1
150 1 12 LYS H 1 13 VAL HA 5.330 2.660 6.000 5.319 5.273 5.370 . 0 0 "[ . 1 ]" 1
151 1 12 LYS H 1 13 VAL MG1 5.540 2.770 6.000 6.088 5.998 6.184 0.184 2 0 "[ . 1 ]" 1
152 1 12 LYS H 1 13 VAL MG2 5.720 2.860 6.000 3.902 3.644 4.326 . 0 0 "[ . 1 ]" 1
153 1 12 LYS HA 1 12 LYS QB 2.700 2.100 3.300 2.414 2.189 2.553 . 0 0 "[ . 1 ]" 1
154 1 12 LYS HA 1 12 LYS QD 3.700 3.000 4.400 3.971 3.883 4.262 . 0 0 "[ . 1 ]" 1
155 1 12 LYS HA 1 12 LYS QG 3.000 2.400 3.600 2.369 2.186 3.306 0.214 11 0 "[ . 1 ]" 1
156 1 12 LYS HA 1 13 VAL H 2.940 . 3.530 2.760 2.678 2.926 . 0 0 "[ . 1 ]" 1
157 1 12 LYS QB 1 12 LYS QG 2.900 2.300 3.500 2.113 2.109 2.119 0.191 8 0 "[ . 1 ]" 1
158 1 12 LYS QB 1 13 VAL H 3.730 . 4.480 3.904 3.790 4.045 . 0 0 "[ . 1 ]" 1
159 1 12 LYS QD 1 13 VAL H 4.600 2.100 5.720 5.846 5.641 5.990 0.270 4 0 "[ . 1 ]" 1
160 1 12 LYS QG 1 13 VAL H 3.680 . 4.420 4.319 3.858 4.505 0.085 11 0 "[ . 1 ]" 1
161 1 13 VAL H 1 13 VAL HA 3.300 2.600 4.000 2.860 2.846 2.909 . 0 0 "[ . 1 ]" 1
162 1 13 VAL H 1 13 VAL HB 3.000 2.200 3.800 2.513 2.331 2.641 . 0 0 "[ . 1 ]" 1
163 1 13 VAL H 1 13 VAL MG1 3.900 3.100 4.700 3.748 3.712 3.786 . 0 0 "[ . 1 ]" 1
164 1 13 VAL H 1 13 VAL MG2 3.600 . 4.500 2.117 1.859 2.437 0.041 3 0 "[ . 1 ]" 1
165 1 13 VAL H 1 14 SER H 3.790 . 4.550 3.053 2.947 3.115 . 0 0 "[ . 1 ]" 1
166 1 13 VAL HA 1 13 VAL HB 3.300 2.600 4.000 3.023 3.016 3.031 . 0 0 "[ . 1 ]" 1
167 1 13 VAL HA 1 13 VAL MG1 2.500 . 3.200 2.329 2.223 2.442 . 0 0 "[ . 1 ]" 1
168 1 13 VAL HA 1 13 VAL MG2 4.100 . 4.900 2.374 2.302 2.445 . 0 0 "[ . 1 ]" 1
169 1 13 VAL HA 1 14 SER H 2.830 . 3.400 3.536 3.526 3.550 0.150 3 0 "[ . 1 ]" 1
170 1 13 VAL HB 1 13 VAL MG1 3.700 . 4.400 2.145 2.136 2.150 . 0 0 "[ . 1 ]" 1
171 1 13 VAL HB 1 13 VAL MG2 3.700 . 4.400 2.145 2.124 2.153 . 0 0 "[ . 1 ]" 1
172 1 13 VAL HB 1 14 SER H 2.830 . 3.940 1.852 1.753 2.047 . 0 0 "[ . 1 ]" 1
173 1 13 VAL MG1 1 13 VAL MG2 3.500 . 4.200 2.072 2.057 2.085 . 0 0 "[ . 1 ]" 1
174 1 13 VAL MG1 1 14 SER H 3.510 . 4.210 2.601 2.235 2.882 . 0 0 "[ . 1 ]" 1
175 1 13 VAL MG2 1 14 SER H 3.730 . 4.480 3.537 3.398 3.694 . 0 0 "[ . 1 ]" 1
176 1 14 SER H 1 14 SER HA 3.300 2.600 4.000 2.751 2.727 2.783 . 0 0 "[ . 1 ]" 1
177 1 14 SER H 1 14 SER QB 3.400 2.700 4.100 3.087 3.025 3.472 . 0 0 "[ . 1 ]" 1
178 1 14 SER H 1 15 THR H 3.800 . 4.560 4.001 3.896 4.074 . 0 0 "[ . 1 ]" 1
179 1 14 SER HA 1 14 SER QB 3.000 2.300 3.700 2.278 2.186 2.523 0.114 7 0 "[ . 1 ]" 1
180 1 14 SER HA 1 15 THR H 2.770 . 3.320 2.173 2.146 2.197 . 0 0 "[ . 1 ]" 1
181 1 14 SER QB 1 15 THR H 3.100 . 3.720 3.498 3.244 3.652 . 0 0 "[ . 1 ]" 1
182 1 15 THR H 1 15 THR HA 3.300 2.600 4.000 2.821 2.760 2.864 . 0 0 "[ . 1 ]" 1
183 1 15 THR H 1 15 THR MG 3.200 2.500 3.900 3.106 2.356 3.742 0.144 8 0 "[ . 1 ]" 1
184 1 15 THR H 1 16 ALA H 2.800 2.300 3.300 2.629 2.487 2.848 . 0 0 "[ . 1 ]" 1
185 1 15 THR H 1 16 ALA MB 4.360 2.180 5.230 4.304 4.158 4.488 . 0 0 "[ . 1 ]" 1
186 1 15 THR H 1 17 THR H 4.000 3.000 5.000 4.310 4.190 4.611 . 0 0 "[ . 1 ]" 1
187 1 15 THR HA 1 15 THR HB 3.200 2.600 3.800 2.807 2.547 3.030 0.053 10 0 "[ . 1 ]" 1
188 1 15 THR HA 1 15 THR MG 3.000 2.300 3.700 2.369 2.194 3.193 0.106 11 0 "[ . 1 ]" 1
189 1 15 THR HA 1 16 ALA H 3.500 3.000 3.800 3.497 3.447 3.575 . 0 0 "[ . 1 ]" 1
190 1 15 THR HA 1 17 THR H 4.000 3.000 5.000 4.627 4.508 5.003 0.003 10 0 "[ . 1 ]" 1
191 1 15 THR HA 1 18 VAL H 3.500 2.700 4.300 4.203 4.010 4.265 . 0 0 "[ . 1 ]" 1
192 1 15 THR HA 1 19 SER H 4.200 3.700 4.700 4.213 3.950 4.599 . 0 0 "[ . 1 ]" 1
193 1 15 THR HB 1 15 THR MG 2.800 2.100 3.500 2.145 2.141 2.148 . 0 0 "[ . 1 ]" 1
194 1 16 ALA H 1 16 ALA HA 3.300 2.600 4.000 2.878 2.855 2.888 . 0 0 "[ . 1 ]" 1
195 1 16 ALA H 1 16 ALA MB 2.800 2.200 3.400 2.227 2.180 2.259 0.020 4 0 "[ . 1 ]" 1
196 1 16 ALA H 1 17 THR H 2.780 . 3.340 2.478 2.424 2.617 . 0 0 "[ . 1 ]" 1
197 1 16 ALA H 1 17 THR MG 3.460 . 4.150 4.072 3.570 4.191 0.041 3 0 "[ . 1 ]" 1
198 1 16 ALA HA 1 16 ALA MB 4.300 . 5.200 2.135 2.125 2.142 . 0 0 "[ . 1 ]" 1
199 1 16 ALA MB 1 17 THR H 3.770 . 4.520 2.439 2.116 2.559 . 0 0 "[ . 1 ]" 1
200 1 17 THR H 1 17 THR HA 3.300 2.600 4.000 2.805 2.794 2.814 . 0 0 "[ . 1 ]" 1
201 1 17 THR H 1 17 THR HB 3.200 2.600 3.800 3.498 2.506 3.614 0.094 10 0 "[ . 1 ]" 1
202 1 17 THR H 1 17 THR MG 2.900 2.100 3.700 2.250 2.118 2.346 . 0 0 "[ . 1 ]" 1
203 1 17 THR H 1 18 VAL H 3.240 . 3.890 3.008 2.925 3.059 . 0 0 "[ . 1 ]" 1
204 1 17 THR H 1 18 VAL HB 4.200 2.120 5.090 5.058 4.846 5.251 0.161 3 0 "[ . 1 ]" 1
205 1 17 THR HA 1 17 THR MG 3.000 2.300 3.700 2.368 2.243 3.193 0.057 11 0 "[ . 1 ]" 1
206 1 17 THR HA 1 18 VAL H 3.440 . 4.130 3.576 3.573 3.582 . 0 0 "[ . 1 ]" 1
207 1 17 THR HA 1 28 VAL HA 5.000 . 5.600 5.661 5.489 5.806 0.206 8 0 "[ . 1 ]" 1
208 1 17 THR HA 1 28 VAL QG 5.000 . 5.100 3.949 3.613 4.393 . 0 0 "[ . 1 ]" 1
209 1 17 THR HB 1 17 THR MG 3.600 . 4.300 2.144 2.135 2.148 . 0 0 "[ . 1 ]" 1
210 1 17 THR HB 1 18 VAL H 3.480 . 4.180 3.061 2.917 3.659 . 0 0 "[ . 1 ]" 1
211 1 17 THR HB 1 28 VAL HA 5.000 . 5.100 4.221 3.884 4.718 . 0 0 "[ . 1 ]" 1
212 1 17 THR HG1 1 28 VAL HA 5.000 . 5.100 3.242 2.747 3.596 . 0 0 "[ . 1 ]" 1
213 1 17 THR HG1 1 28 VAL HB 5.000 . 5.100 4.777 4.102 5.322 0.222 11 0 "[ . 1 ]" 1
214 1 17 THR HG1 1 28 VAL QG 5.000 . 5.100 2.746 2.464 3.043 . 0 0 "[ . 1 ]" 1
215 1 18 VAL H 1 18 VAL HA 3.300 2.600 4.000 2.780 2.760 2.806 . 0 0 "[ . 1 ]" 1
216 1 18 VAL H 1 18 VAL HB 2.800 2.200 3.400 2.336 2.083 2.407 0.117 11 0 "[ . 1 ]" 1
217 1 18 VAL H 1 18 VAL MG1 3.300 2.500 4.100 3.039 2.334 3.745 0.166 3 0 "[ . 1 ]" 1
218 1 18 VAL H 1 18 VAL MG2 3.300 2.400 4.200 3.048 2.241 3.715 0.159 7 0 "[ . 1 ]" 1
219 1 18 VAL H 1 19 SER H 3.360 . 4.030 2.732 2.650 2.788 . 0 0 "[ . 1 ]" 1
220 1 18 VAL HA 1 18 VAL HB 3.200 2.500 3.900 2.777 2.537 3.024 . 0 0 "[ . 1 ]" 1
221 1 18 VAL HA 1 18 VAL MG1 3.300 2.600 4.000 2.851 2.437 3.205 0.163 2 0 "[ . 1 ]" 1
222 1 18 VAL HA 1 18 VAL MG2 3.600 . 4.300 2.236 2.148 2.322 . 0 0 "[ . 1 ]" 1
223 1 18 VAL HA 1 19 SER H 4.570 2.290 5.480 3.504 3.476 3.534 . 0 0 "[ . 1 ]" 1
224 1 18 VAL HA 1 21 ALA MB 5.500 2.300 5.600 2.335 2.168 2.671 0.132 6 0 "[ . 1 ]" 1
225 1 18 VAL HA 1 28 VAL QG 5.000 . 5.100 4.224 3.496 4.737 . 0 0 "[ . 1 ]" 1
226 1 18 VAL HB 1 18 VAL MG1 2.800 2.100 3.500 2.145 2.141 2.148 . 0 0 "[ . 1 ]" 1
227 1 18 VAL HB 1 18 VAL MG2 3.400 . 4.100 2.150 2.140 2.155 . 0 0 "[ . 1 ]" 1
228 1 18 VAL HB 1 19 SER H 3.710 . 4.450 3.394 2.729 3.941 . 0 0 "[ . 1 ]" 1
229 1 18 VAL HB 1 28 VAL QG 5.000 . 5.600 5.402 4.587 5.818 0.218 1 0 "[ . 1 ]" 1
230 1 18 VAL QG 1 28 VAL QG 5.000 . 5.100 4.142 3.370 5.013 . 0 0 "[ . 1 ]" 1
231 1 18 VAL MG1 1 19 SER H 4.630 2.020 5.960 2.678 1.985 3.519 0.035 10 0 "[ . 1 ]" 1
232 1 18 VAL MG2 1 19 SER H 4.590 2.300 5.510 3.972 3.804 4.201 . 0 0 "[ . 1 ]" 1
233 1 19 SER H 1 19 SER HA 3.300 2.600 4.000 2.857 2.814 2.890 . 0 0 "[ . 1 ]" 1
234 1 19 SER H 1 19 SER QB 3.600 . 4.300 2.260 2.150 2.474 . 0 0 "[ . 1 ]" 1
235 1 19 SER H 1 20 ARG H 4.000 . 4.800 2.556 2.441 2.751 . 0 0 "[ . 1 ]" 1
236 1 19 SER H 1 20 ARG QG 4.080 2.040 4.900 4.351 4.161 4.583 . 0 0 "[ . 1 ]" 1
237 1 19 SER HA 1 19 SER QB 3.500 2.250 4.200 2.369 2.186 2.502 0.064 9 0 "[ . 1 ]" 1
238 1 20 ARG H 1 20 ARG HA 3.300 2.600 4.000 2.896 2.845 2.911 . 0 0 "[ . 1 ]" 1
239 1 20 ARG H 1 20 ARG QB 3.800 . 4.600 2.350 2.284 2.421 . 0 0 "[ . 1 ]" 1
240 1 20 ARG H 1 20 ARG QD 4.300 3.400 5.200 3.878 3.400 4.360 . 0 0 "[ . 1 ]" 1
241 1 20 ARG H 1 21 ALA H 3.650 . 4.380 2.358 2.297 2.570 . 0 0 "[ . 1 ]" 1
242 1 20 ARG HA 1 20 ARG QB 2.900 2.300 3.500 2.394 2.357 2.429 . 0 0 "[ . 1 ]" 1
243 1 20 ARG HA 1 24 ASN QB 5.000 . 5.100 4.598 3.855 5.209 0.109 1 0 "[ . 1 ]" 1
244 1 20 ARG QB 1 24 ASN QB 5.000 . 5.100 3.029 2.417 3.801 . 0 0 "[ . 1 ]" 1
245 1 20 ARG QD 1 21 ALA H 4.340 2.070 5.310 5.187 4.866 5.590 0.280 8 0 "[ . 1 ]" 1
246 1 20 ARG QG 1 21 ALA H 3.460 . 4.150 4.223 4.131 4.318 0.168 4 0 "[ . 1 ]" 1
247 1 21 ALA H 1 21 ALA HA 3.300 2.600 4.000 2.775 2.743 2.844 . 0 0 "[ . 1 ]" 1
248 1 21 ALA H 1 21 ALA MB 3.000 2.300 3.700 2.237 2.226 2.252 0.074 11 0 "[ . 1 ]" 1
249 1 21 ALA H 1 22 LEU H 3.370 . 4.040 2.768 2.548 2.952 . 0 0 "[ . 1 ]" 1
250 1 21 ALA H 1 22 LEU HA 4.320 . 5.380 5.326 5.077 5.495 0.115 9 0 "[ . 1 ]" 1
251 1 21 ALA H 1 22 LEU QD 3.820 . 4.790 3.903 3.257 4.826 0.036 9 0 "[ . 1 ]" 1
252 1 21 ALA HA 1 21 ALA MB 2.800 2.100 3.500 2.140 2.135 2.145 . 0 0 "[ . 1 ]" 1
253 1 21 ALA HA 1 22 LEU H 3.940 . 4.730 3.465 3.406 3.565 . 0 0 "[ . 1 ]" 1
254 1 21 ALA HA 1 28 VAL QG 5.000 . 5.100 4.450 3.766 4.935 . 0 0 "[ . 1 ]" 1
255 1 21 ALA MB 1 28 VAL QG 5.000 . 5.100 3.396 2.327 4.205 . 0 0 "[ . 1 ]" 1
256 1 22 LEU H 1 22 LEU HA 3.300 2.600 4.000 2.858 2.745 2.934 . 0 0 "[ . 1 ]" 1
257 1 22 LEU H 1 22 LEU QB 2.900 2.300 3.500 2.348 2.210 2.634 0.090 1 0 "[ . 1 ]" 1
258 1 22 LEU H 1 22 LEU QD 2.900 2.200 3.600 2.406 1.941 3.117 0.259 6 0 "[ . 1 ]" 1
259 1 22 LEU H 1 23 MET H 3.190 . 3.830 2.528 2.180 2.941 . 0 0 "[ . 1 ]" 1
260 1 22 LEU H 1 23 MET QG 4.090 2.050 4.910 4.212 3.677 4.946 0.036 4 0 "[ . 1 ]" 1
261 1 22 LEU HA 1 22 LEU QB 2.900 2.300 3.500 2.419 2.306 2.509 . 0 0 "[ . 1 ]" 1
262 1 22 LEU HA 1 22 LEU MD1 3.100 2.300 3.900 2.963 2.140 3.826 0.160 7 0 "[ . 1 ]" 1
263 1 22 LEU HA 1 22 LEU QD 3.200 . 3.800 2.205 1.967 2.805 0.033 7 0 "[ . 1 ]" 1
264 1 22 LEU HA 1 23 MET H 3.590 . 4.310 3.409 3.293 3.571 . 0 0 "[ . 1 ]" 1
265 1 22 LEU QB 1 22 LEU MD1 3.000 2.300 3.700 2.180 2.104 2.271 0.196 3 0 "[ . 1 ]" 1
266 1 22 LEU QB 1 23 MET H 3.340 . 4.010 3.039 2.575 3.302 . 0 0 "[ . 1 ]" 1
267 1 22 LEU QD 1 23 MET H 3.940 . 4.730 3.976 3.743 4.252 . 0 0 "[ . 1 ]" 1
268 1 23 MET H 1 23 MET HA 3.300 2.600 4.000 2.961 2.935 2.972 . 0 0 "[ . 1 ]" 1
269 1 23 MET H 1 23 MET QB 3.100 2.400 3.800 2.525 2.379 2.804 0.021 3 0 "[ . 1 ]" 1
270 1 23 MET H 1 23 MET QG 3.000 2.300 3.700 2.773 2.204 3.625 0.096 10 0 "[ . 1 ]" 1
271 1 23 MET H 1 24 ASN H 2.830 . 3.400 2.093 1.837 2.366 . 0 0 "[ . 1 ]" 1
272 1 23 MET HA 1 23 MET QB 2.900 2.300 3.500 2.358 2.183 2.396 0.117 10 0 "[ . 1 ]" 1
273 1 23 MET HA 1 23 MET ME 3.900 3.100 4.700 4.288 3.546 4.521 . 0 0 "[ . 1 ]" 1
274 1 23 MET HA 1 23 MET QG 2.900 2.100 3.700 2.516 2.294 3.413 . 0 0 "[ . 1 ]" 1
275 1 23 MET HA 1 24 ASN H 3.620 . 4.340 3.528 3.408 3.571 . 0 0 "[ . 1 ]" 1
276 1 23 MET QB 1 23 MET QG 3.300 . 4.000 2.084 2.034 2.111 . 0 0 "[ . 1 ]" 1
277 1 23 MET QB 1 24 ASN H 3.460 . 4.150 2.603 2.096 3.701 . 0 0 "[ . 1 ]" 1
278 1 23 MET ME 1 23 MET QG 3.000 . 3.700 2.171 2.126 2.228 . 0 0 "[ . 1 ]" 1
279 1 24 ASN H 1 24 ASN HA 3.300 2.600 4.000 2.901 2.686 2.964 . 0 0 "[ . 1 ]" 1
280 1 24 ASN H 1 24 ASN QB 3.300 2.400 4.100 2.636 2.235 2.886 0.165 4 0 "[ . 1 ]" 1
281 1 24 ASN HA 1 24 ASN QB 2.900 2.300 3.500 2.429 2.284 2.569 0.016 7 0 "[ . 1 ]" 1
282 1 25 PRO HA 1 25 PRO QD 3.100 2.500 3.700 3.417 3.213 3.495 . 0 0 "[ . 1 ]" 1
283 1 25 PRO HA 1 26 ASP H 3.950 . 4.740 2.684 2.158 3.476 . 0 0 "[ . 1 ]" 1
284 1 25 PRO QD 1 26 ASP H 3.810 . 4.970 4.140 2.366 5.026 0.056 3 0 "[ . 1 ]" 1
285 1 26 ASP H 1 26 ASP HA 3.300 2.500 4.100 2.910 2.836 2.967 . 0 0 "[ . 1 ]" 1
286 1 26 ASP H 1 26 ASP QB 3.200 2.500 3.800 2.764 2.382 3.320 0.118 4 0 "[ . 1 ]" 1
287 1 26 ASP H 1 27 LYS H 2.600 . 3.600 2.479 1.706 3.817 0.294 1 0 "[ . 1 ]" 1
288 1 26 ASP H 1 27 LYS QB 4.310 2.160 5.170 4.113 3.377 5.165 . 0 0 "[ . 1 ]" 1
289 1 26 ASP H 1 28 VAL H 4.200 3.200 5.200 4.213 3.241 5.169 . 0 0 "[ . 1 ]" 1
290 1 26 ASP HA 1 26 ASP QB 2.700 2.200 3.200 2.303 2.174 2.417 0.026 11 0 "[ . 1 ]" 1
291 1 26 ASP HA 1 27 LYS H 3.500 2.700 4.300 2.927 2.439 3.233 0.261 3 0 "[ . 1 ]" 1
292 1 26 ASP HA 1 28 VAL H 3.500 2.500 4.500 3.460 2.959 3.921 . 0 0 "[ . 1 ]" 1
293 1 26 ASP QB 1 27 LYS H 3.760 . 4.510 3.792 3.480 4.031 . 0 0 "[ . 1 ]" 1
294 1 27 LYS H 1 27 LYS HA 3.300 2.600 4.000 2.921 2.834 2.967 . 0 0 "[ . 1 ]" 1
295 1 27 LYS H 1 27 LYS QB 3.300 2.300 4.200 2.385 2.204 2.554 0.096 4 0 "[ . 1 ]" 1
296 1 27 LYS H 1 28 VAL H 2.800 . 3.800 2.355 1.808 3.072 . 0 0 "[ . 1 ]" 1
297 1 27 LYS H 1 28 VAL MG1 5.170 2.590 6.000 4.544 3.150 5.875 . 0 0 "[ . 1 ]" 1
298 1 27 LYS H 1 28 VAL MG2 4.510 2.250 5.410 3.408 2.775 4.682 . 0 0 "[ . 1 ]" 1
299 1 27 LYS HA 1 28 VAL H 3.500 2.500 3.590 3.262 2.945 3.477 . 0 0 "[ . 1 ]" 1
300 1 27 LYS HA 1 29 SER H 4.400 2.400 6.100 6.129 5.714 6.458 0.358 3 0 "[ . 1 ]" 1
301 1 27 LYS QB 1 28 VAL H 3.470 . 4.160 3.339 2.864 3.789 . 0 0 "[ . 1 ]" 1
302 1 28 VAL H 1 29 SER H 3.500 2.500 4.500 4.564 4.471 4.623 0.123 4 0 "[ . 1 ]" 1
303 1 28 VAL HA 1 29 SER H 3.000 . 3.760 2.259 2.143 2.550 . 0 0 "[ . 1 ]" 1
304 1 28 VAL HB 1 29 SER H 3.230 . 3.980 3.399 2.181 4.095 0.115 1 0 "[ . 1 ]" 1
305 1 28 VAL HB 1 33 ARG HA 5.000 . 5.100 3.473 2.672 4.359 . 0 0 "[ . 1 ]" 1
306 1 28 VAL QG 1 33 ARG HA 5.000 . 5.100 2.223 2.032 2.556 . 0 0 "[ . 1 ]" 1
307 1 28 VAL QG 1 33 ARG QB 5.000 . 5.100 2.444 2.189 2.952 . 0 0 "[ . 1 ]" 1
308 1 28 VAL QG 1 36 VAL HA 5.000 . 5.200 5.266 5.091 5.351 0.151 9 0 "[ . 1 ]" 1
309 1 28 VAL MG1 1 29 SER H 3.560 . 4.270 2.985 2.154 3.880 . 0 0 "[ . 1 ]" 1
310 1 28 VAL MG2 1 29 SER H 4.320 2.160 5.180 3.785 3.009 4.161 . 0 0 "[ . 1 ]" 1
311 1 29 SER H 1 29 SER HA 3.300 2.600 4.000 2.814 2.782 2.850 . 0 0 "[ . 1 ]" 1
312 1 29 SER H 1 29 SER QB 2.900 2.300 3.500 2.277 2.232 2.401 0.068 11 0 "[ . 1 ]" 1
313 1 29 SER H 1 30 GLN H 3.500 2.500 4.500 4.626 4.614 4.637 0.137 11 0 "[ . 1 ]" 1
314 1 29 SER HA 1 29 SER QB 2.900 2.300 3.500 2.378 2.336 2.444 . 0 0 "[ . 1 ]" 1
315 1 29 SER HA 1 30 GLN H 3.300 2.300 3.570 2.259 2.221 2.309 0.079 4 0 "[ . 1 ]" 1
316 1 29 SER HA 1 31 ALA H 4.400 3.900 4.900 4.348 4.251 4.447 . 0 0 "[ . 1 ]" 1
317 1 29 SER HA 1 32 THR H 3.400 2.600 4.700 4.676 4.642 4.721 0.021 9 0 "[ . 1 ]" 1
318 1 29 SER HA 1 33 ARG H 4.200 3.600 4.800 4.868 4.804 4.939 0.139 9 0 "[ . 1 ]" 1
319 1 29 SER QB 1 30 GLN H 3.430 . 4.120 3.292 2.545 3.588 . 0 0 "[ . 1 ]" 1
320 1 30 GLN H 1 30 GLN HA 3.300 2.600 4.000 2.753 2.738 2.771 . 0 0 "[ . 1 ]" 1
321 1 30 GLN H 1 30 GLN QB 2.900 2.300 3.500 2.316 2.106 2.413 0.194 11 0 "[ . 1 ]" 1
322 1 30 GLN H 1 30 GLN QG 3.400 2.400 4.400 2.974 2.201 4.075 0.199 2 0 "[ . 1 ]" 1
323 1 30 GLN H 1 31 ALA H 2.800 2.500 3.100 2.904 2.823 2.960 . 0 0 "[ . 1 ]" 1
324 1 30 GLN H 1 31 ALA HA 4.560 2.280 5.470 5.477 5.414 5.514 0.044 10 0 "[ . 1 ]" 1
325 1 30 GLN H 1 31 ALA MB 5.050 2.520 6.000 4.547 4.481 4.592 . 0 0 "[ . 1 ]" 1
326 1 30 GLN H 1 32 THR H 4.200 3.700 4.700 4.500 4.479 4.532 . 0 0 "[ . 1 ]" 1
327 1 30 GLN HA 1 30 GLN QB 3.000 2.300 3.700 2.400 2.203 2.552 0.097 5 0 "[ . 1 ]" 1
328 1 30 GLN HA 1 30 GLN QG 3.000 2.400 3.600 2.501 2.172 3.307 0.228 11 0 "[ . 1 ]" 1
329 1 30 GLN HA 1 31 ALA H 3.500 3.300 3.700 3.556 3.541 3.566 . 0 0 "[ . 1 ]" 1
330 1 30 GLN HA 1 32 THR H 4.400 4.000 4.800 4.888 4.810 4.937 0.137 10 0 "[ . 1 ]" 1
331 1 30 GLN HA 1 33 ARG H 3.400 3.200 3.600 3.512 3.376 3.597 . 0 0 "[ . 1 ]" 1
332 1 30 GLN HA 1 34 ASN H 4.200 4.000 4.400 4.329 4.197 4.435 0.035 10 0 "[ . 1 ]" 1
333 1 30 GLN QB 1 30 GLN QG 2.500 . 3.000 2.089 2.031 2.111 . 0 0 "[ . 1 ]" 1
334 1 30 GLN QB 1 31 ALA H 3.370 . 4.040 2.530 2.338 3.339 . 0 0 "[ . 1 ]" 1
335 1 30 GLN QG 1 31 ALA H 4.000 . 4.900 3.703 1.815 4.328 0.085 5 0 "[ . 1 ]" 1
336 1 31 ALA H 1 31 ALA HA 3.300 2.600 4.000 2.833 2.823 2.846 . 0 0 "[ . 1 ]" 1
337 1 31 ALA H 1 31 ALA MB 3.000 2.300 3.700 2.240 2.234 2.243 0.066 4 0 "[ . 1 ]" 1
338 1 31 ALA H 1 32 THR H 2.800 2.600 3.000 2.795 2.754 2.819 . 0 0 "[ . 1 ]" 1
339 1 31 ALA H 1 32 THR HB 4.040 2.020 4.850 4.912 4.848 5.030 0.180 4 0 "[ . 1 ]" 1
340 1 31 ALA H 1 33 ARG H 4.200 3.800 4.600 3.724 3.684 3.784 0.116 5 0 "[ . 1 ]" 1
341 1 31 ALA HA 1 31 ALA MB 2.900 2.300 3.500 2.151 2.145 2.162 0.155 3 0 "[ . 1 ]" 1
342 1 31 ALA HA 1 32 THR H 3.500 3.300 3.700 3.576 3.562 3.585 . 0 0 "[ . 1 ]" 1
343 1 31 ALA HA 1 33 ARG H 4.200 4.000 4.400 3.998 3.966 4.082 0.034 4 0 "[ . 1 ]" 1
344 1 31 ALA HA 1 34 ASN H 3.400 3.200 3.600 3.647 3.580 3.725 0.125 8 0 "[ . 1 ]" 1
345 1 31 ALA HA 1 35 ARG H 4.200 3.700 4.700 4.570 4.437 4.695 . 0 0 "[ . 1 ]" 1
346 1 31 ALA MB 1 32 THR H 3.610 . 4.330 2.222 2.203 2.237 . 0 0 "[ . 1 ]" 1
347 1 32 THR H 1 32 THR HA 3.300 2.600 4.000 2.820 2.810 2.829 . 0 0 "[ . 1 ]" 1
348 1 32 THR H 1 32 THR HB 3.000 2.300 3.700 2.506 2.450 2.600 . 0 0 "[ . 1 ]" 1
349 1 32 THR H 1 32 THR MG 4.000 2.800 5.200 3.743 3.739 3.749 . 0 0 "[ . 1 ]" 1
350 1 32 THR H 1 33 ARG H 2.800 2.600 3.000 2.602 2.581 2.636 0.019 9 0 "[ . 1 ]" 1
351 1 32 THR H 1 33 ARG HA 4.360 2.280 5.190 5.181 5.152 5.227 0.037 11 0 "[ . 1 ]" 1
352 1 32 THR H 1 33 ARG QB 3.690 . 4.430 4.366 4.344 4.405 . 0 0 "[ . 1 ]" 1
353 1 32 THR H 1 34 ASN H 4.200 3.700 4.700 4.468 4.403 4.574 . 0 0 "[ . 1 ]" 1
354 1 32 THR HA 1 32 THR MG 3.200 2.400 4.000 2.329 2.270 2.370 0.130 4 0 "[ . 1 ]" 1
355 1 32 THR HA 1 33 ARG H 3.500 3.000 3.700 3.445 3.432 3.472 . 0 0 "[ . 1 ]" 1
356 1 32 THR HA 1 34 ASN H 4.400 3.900 4.900 4.382 4.315 4.495 . 0 0 "[ . 1 ]" 1
357 1 32 THR HA 1 35 ARG H 4.500 3.500 5.500 3.376 3.353 3.401 0.147 11 0 "[ . 1 ]" 1
358 1 32 THR HA 1 36 VAL H 4.200 3.200 5.200 3.910 3.711 4.157 . 0 0 "[ . 1 ]" 1
359 1 32 THR HB 1 32 THR MG 3.500 . 4.200 2.140 2.112 2.147 . 0 0 "[ . 1 ]" 1
360 1 32 THR HB 1 33 ARG H 3.590 . 4.310 3.046 2.975 3.082 . 0 0 "[ . 1 ]" 1
361 1 32 THR MG 1 33 ARG H 4.050 2.020 4.860 3.780 3.708 3.909 . 0 0 "[ . 1 ]" 1
362 1 33 ARG H 1 33 ARG HA 3.300 2.600 4.000 2.846 2.827 2.857 . 0 0 "[ . 1 ]" 1
363 1 33 ARG H 1 33 ARG QB 2.900 2.300 3.500 2.270 2.261 2.276 0.039 9 0 "[ . 1 ]" 1
364 1 33 ARG H 1 33 ARG QD 4.100 3.300 4.900 4.507 4.177 4.695 . 0 0 "[ . 1 ]" 1
365 1 33 ARG H 1 34 ASN H 2.800 2.600 3.000 2.613 2.564 2.705 0.036 10 0 "[ . 1 ]" 1
366 1 33 ARG H 1 34 ASN HA 4.300 2.250 5.120 5.241 5.210 5.296 0.176 9 0 "[ . 1 ]" 1
367 1 33 ARG H 1 34 ASN QB 4.680 2.340 5.620 4.482 4.265 4.721 . 0 0 "[ . 1 ]" 1
368 1 33 ARG H 1 35 ARG H 4.200 3.900 4.500 3.995 3.938 4.050 . 0 0 "[ . 1 ]" 1
369 1 33 ARG HA 1 33 ARG QB 3.000 2.400 3.600 2.378 2.370 2.397 0.030 2 0 "[ . 1 ]" 1
370 1 33 ARG HA 1 34 ASN H 3.500 3.200 3.800 3.550 3.538 3.567 . 0 0 "[ . 1 ]" 1
371 1 33 ARG HA 1 35 ARG H 4.400 4.100 4.700 4.492 4.311 4.628 . 0 0 "[ . 1 ]" 1
372 1 33 ARG HA 1 36 VAL H 3.400 3.000 3.900 3.700 3.560 3.953 0.053 10 0 "[ . 1 ]" 1
373 1 33 ARG HA 1 37 GLU H 4.200 3.700 4.700 4.188 4.103 4.354 . 0 0 "[ . 1 ]" 1
374 1 34 ASN H 1 34 ASN HA 3.300 2.600 4.000 2.844 2.831 2.861 . 0 0 "[ . 1 ]" 1
375 1 34 ASN H 1 34 ASN QB 2.900 2.300 3.500 2.280 2.050 2.338 0.250 11 0 "[ . 1 ]" 1
376 1 34 ASN H 1 35 ARG H 2.800 2.600 3.000 2.588 2.552 2.631 0.048 2 0 "[ . 1 ]" 1
377 1 34 ASN H 1 35 ARG QB 3.130 . 4.630 4.460 4.302 4.637 0.007 8 0 "[ . 1 ]" 1
378 1 34 ASN H 1 36 VAL H 4.200 3.700 4.700 4.211 4.129 4.322 . 0 0 "[ . 1 ]" 1
379 1 34 ASN H 1 37 GLU H 4.500 3.500 5.500 4.874 4.792 5.002 . 0 0 "[ . 1 ]" 1
380 1 34 ASN HA 1 34 ASN QB 2.800 2.200 3.400 2.394 2.181 2.553 0.019 8 0 "[ . 1 ]" 1
381 1 34 ASN HA 1 35 ARG H 3.500 3.300 3.700 3.529 3.509 3.551 . 0 0 "[ . 1 ]" 1
382 1 34 ASN HA 1 36 VAL H 4.400 4.200 4.600 4.530 4.394 4.697 0.097 2 0 "[ . 1 ]" 1
383 1 34 ASN HA 1 37 GLU H 3.400 3.200 3.600 3.619 3.517 3.784 0.184 11 0 "[ . 1 ]" 1
384 1 34 ASN HA 1 38 LYS H 4.200 4.000 4.400 4.325 4.213 4.461 0.061 8 0 "[ . 1 ]" 1
385 1 34 ASN QB 1 35 ARG H 3.540 . 4.250 2.692 2.512 3.416 . 0 0 "[ . 1 ]" 1
386 1 35 ARG H 1 35 ARG HA 3.300 2.600 4.000 2.820 2.790 2.852 . 0 0 "[ . 1 ]" 1
387 1 35 ARG H 1 35 ARG QB 2.800 2.200 3.400 2.320 2.179 2.460 0.021 11 0 "[ . 1 ]" 1
388 1 35 ARG H 1 36 VAL H 2.800 2.600 3.000 2.691 2.635 2.825 . 0 0 "[ . 1 ]" 1
389 1 35 ARG H 1 36 VAL HA 4.200 2.260 5.200 5.291 5.245 5.395 0.195 10 0 "[ . 1 ]" 1
390 1 35 ARG H 1 36 VAL MG1 4.740 2.370 5.690 5.498 3.749 5.858 0.168 3 0 "[ . 1 ]" 1
391 1 35 ARG H 1 37 GLU H 4.200 4.000 4.400 4.246 4.194 4.307 . 0 0 "[ . 1 ]" 1
392 1 35 ARG HA 1 35 ARG QB 2.800 2.200 3.400 2.399 2.363 2.501 . 0 0 "[ . 1 ]" 1
393 1 35 ARG HA 1 36 VAL H 3.500 3.200 3.800 3.550 3.538 3.568 . 0 0 "[ . 1 ]" 1
394 1 35 ARG HA 1 37 GLU H 4.400 4.100 4.700 4.612 4.532 4.695 . 0 0 "[ . 1 ]" 1
395 1 35 ARG HA 1 38 LYS H 3.400 3.100 3.700 3.694 3.605 3.777 0.077 10 0 "[ . 1 ]" 1
396 1 35 ARG HA 1 39 ALA H 4.200 3.900 4.500 3.985 3.778 4.366 0.122 11 0 "[ . 1 ]" 1
397 1 35 ARG QB 1 36 VAL H 3.330 . 4.000 2.484 2.331 2.560 . 0 0 "[ . 1 ]" 1
398 1 36 VAL H 1 36 VAL HA 3.300 2.600 4.000 2.807 2.772 2.818 . 0 0 "[ . 1 ]" 1
399 1 36 VAL H 1 36 VAL MG1 3.300 2.100 4.500 3.415 1.995 3.743 0.105 2 0 "[ . 1 ]" 1
400 1 36 VAL H 1 36 VAL MG2 3.000 . 3.900 2.395 1.911 3.748 0.089 10 0 "[ . 1 ]" 1
401 1 36 VAL H 1 37 GLU H 2.800 2.500 3.100 2.750 2.706 2.911 . 0 0 "[ . 1 ]" 1
402 1 36 VAL H 1 38 LYS H 4.200 4.000 4.400 4.352 4.224 4.426 0.026 9 0 "[ . 1 ]" 1
403 1 36 VAL HA 1 36 VAL HB 3.100 2.500 3.700 2.919 2.459 3.024 0.041 2 0 "[ . 1 ]" 1
404 1 36 VAL HA 1 36 VAL MG1 3.200 2.500 3.900 2.503 2.392 3.181 0.108 10 0 "[ . 1 ]" 1
405 1 36 VAL HA 1 36 VAL MG2 2.900 2.200 3.600 2.392 2.295 3.182 . 0 0 "[ . 1 ]" 1
406 1 36 VAL HA 1 37 GLU H 3.500 3.000 4.000 3.557 3.546 3.576 . 0 0 "[ . 1 ]" 1
407 1 36 VAL HA 1 38 LYS H 4.400 3.900 4.900 4.520 4.370 4.609 . 0 0 "[ . 1 ]" 1
408 1 36 VAL HB 1 36 VAL MG1 3.500 . 4.200 2.143 2.139 2.147 . 0 0 "[ . 1 ]" 1
409 1 36 VAL HB 1 36 VAL MG2 3.400 . 4.100 2.146 2.144 2.151 . 0 0 "[ . 1 ]" 1
410 1 36 VAL MG1 1 37 GLU H 4.060 2.030 4.870 3.029 1.878 3.826 0.152 2 0 "[ . 1 ]" 1
411 1 36 VAL MG2 1 37 GLU H 4.130 . 5.060 3.687 1.882 3.959 0.078 10 0 "[ . 1 ]" 1
412 1 37 GLU H 1 37 GLU HA 3.300 2.600 4.000 2.764 2.756 2.768 . 0 0 "[ . 1 ]" 1
413 1 37 GLU H 1 37 GLU QB 3.000 2.400 3.600 2.287 2.070 2.399 0.330 11 0 "[ . 1 ]" 1
414 1 37 GLU H 1 37 GLU QG 3.400 2.400 4.400 3.180 2.233 4.072 0.167 5 0 "[ . 1 ]" 1
415 1 37 GLU H 1 38 LYS H 2.800 2.500 3.100 2.901 2.848 2.932 . 0 0 "[ . 1 ]" 1
416 1 37 GLU H 1 39 ALA H 4.200 3.900 4.500 4.097 4.046 4.138 . 0 0 "[ . 1 ]" 1
417 1 37 GLU HA 1 37 GLU QB 2.900 2.300 3.500 2.423 2.369 2.552 . 0 0 "[ . 1 ]" 1
418 1 37 GLU HA 1 37 GLU QG 3.000 2.400 3.600 2.461 2.171 2.789 0.229 11 0 "[ . 1 ]" 1
419 1 37 GLU HA 1 38 LYS H 3.500 3.100 3.900 3.568 3.552 3.577 . 0 0 "[ . 1 ]" 1
420 1 37 GLU HA 1 39 ALA H 4.400 4.000 4.800 4.571 4.421 4.678 . 0 0 "[ . 1 ]" 1
421 1 37 GLU HA 1 40 ALA H 3.400 3.000 3.800 3.698 3.483 3.838 0.038 7 0 "[ . 1 ]" 1
422 1 37 GLU QB 1 37 GLU QG 2.600 . 3.200 2.076 2.033 2.112 . 0 0 "[ . 1 ]" 1
423 1 37 GLU QB 1 38 LYS H 3.590 . 4.310 2.414 2.312 2.535 . 0 0 "[ . 1 ]" 1
424 1 37 GLU QG 1 38 LYS H 4.320 2.160 5.180 3.928 3.451 4.296 . 0 0 "[ . 1 ]" 1
425 1 38 LYS H 1 38 LYS HA 3.300 2.600 4.000 2.854 2.846 2.867 . 0 0 "[ . 1 ]" 1
426 1 38 LYS H 1 38 LYS QB 2.900 2.300 3.500 2.266 2.167 2.322 0.133 11 0 "[ . 1 ]" 1
427 1 38 LYS H 1 38 LYS QG 3.300 2.500 4.100 3.404 2.402 4.050 0.098 10 0 "[ . 1 ]" 1
428 1 38 LYS H 1 39 ALA H 2.800 2.600 3.000 2.549 2.515 2.577 0.085 10 0 "[ . 1 ]" 1
429 1 38 LYS H 1 40 ALA H 4.200 3.400 5.000 3.886 3.822 3.974 . 0 0 "[ . 1 ]" 1
430 1 38 LYS HA 1 38 LYS QB 2.600 2.100 3.100 2.408 2.376 2.493 . 0 0 "[ . 1 ]" 1
431 1 38 LYS HA 1 38 LYS QG 3.000 2.400 3.600 2.364 2.200 2.546 0.200 11 0 "[ . 1 ]" 1
432 1 38 LYS HA 1 39 ALA H 3.500 3.200 3.800 3.529 3.513 3.544 . 0 0 "[ . 1 ]" 1
433 1 38 LYS HA 1 40 ALA H 4.000 3.700 4.300 3.874 3.705 4.046 . 0 0 "[ . 1 ]" 1
434 1 38 LYS HA 1 41 ARG H 3.400 3.100 3.700 3.532 3.376 3.684 . 0 0 "[ . 1 ]" 1
435 1 38 LYS HA 1 42 GLU H 4.200 3.800 4.600 4.603 4.369 4.758 0.158 10 0 "[ . 1 ]" 1
436 1 38 LYS QB 1 38 LYS QG 2.700 2.200 3.200 2.098 2.059 2.115 0.141 2 0 "[ . 1 ]" 1
437 1 38 LYS QB 1 39 ALA H 3.090 . 3.710 2.605 2.567 2.650 . 0 0 "[ . 1 ]" 1
438 1 39 ALA H 1 39 ALA HA 3.300 2.600 4.000 2.831 2.781 2.867 . 0 0 "[ . 1 ]" 1
439 1 39 ALA H 1 39 ALA MB 3.500 2.200 4.200 2.216 2.163 2.252 0.037 11 0 "[ . 1 ]" 1
440 1 39 ALA H 1 40 ALA H 2.800 2.500 3.100 2.575 2.466 2.704 0.034 1 0 "[ . 1 ]" 1
441 1 39 ALA H 1 41 ARG H 4.200 3.900 4.500 4.388 4.216 4.568 0.068 7 0 "[ . 1 ]" 1
442 1 39 ALA HA 1 39 ALA MB 2.700 2.100 3.300 2.135 2.126 2.141 . 0 0 "[ . 1 ]" 1
443 1 39 ALA HA 1 40 ALA H 3.500 3.200 3.800 3.450 3.435 3.473 . 0 0 "[ . 1 ]" 1
444 1 39 ALA HA 1 41 ARG H 4.400 4.100 4.700 4.279 4.167 4.424 . 0 0 "[ . 1 ]" 1
445 1 39 ALA HA 1 42 GLU H 3.400 3.100 3.700 3.327 3.208 3.447 . 0 0 "[ . 1 ]" 1
446 1 39 ALA HA 1 43 VAL H 4.200 3.400 5.000 4.121 3.528 4.550 . 0 0 "[ . 1 ]" 1
447 1 39 ALA MB 1 40 ALA H 3.770 . 4.520 2.906 2.849 2.954 . 0 0 "[ . 1 ]" 1
448 1 40 ALA H 1 40 ALA HA 3.300 2.600 4.000 2.850 2.834 2.865 . 0 0 "[ . 1 ]" 1
449 1 40 ALA H 1 40 ALA MB 2.500 . 3.200 2.213 2.149 2.248 . 0 0 "[ . 1 ]" 1
450 1 40 ALA H 1 41 ARG H 2.800 2.600 3.000 2.586 2.539 2.652 0.061 4 0 "[ . 1 ]" 1
451 1 40 ALA H 1 42 GLU H 4.200 3.700 4.700 4.010 3.853 4.094 . 0 0 "[ . 1 ]" 1
452 1 40 ALA HA 1 40 ALA MB 3.400 . 4.100 2.135 2.125 2.140 . 0 0 "[ . 1 ]" 1
453 1 40 ALA HA 1 41 ARG H 3.500 3.000 4.000 3.538 3.519 3.552 . 0 0 "[ . 1 ]" 1
454 1 40 ALA HA 1 42 GLU H 4.400 3.900 4.900 4.497 4.385 4.604 . 0 0 "[ . 1 ]" 1
455 1 40 ALA MB 1 43 VAL HB 6.000 2.900 6.100 5.983 5.601 6.174 0.074 9 0 "[ . 1 ]" 1
456 1 40 ALA MB 1 45 TYR QB 6.000 3.000 6.100 4.600 3.330 5.958 . 0 0 "[ . 1 ]" 1
457 1 41 ARG H 1 41 ARG HA 3.300 2.600 4.000 2.858 2.836 2.879 . 0 0 "[ . 1 ]" 1
458 1 41 ARG H 1 41 ARG QB 2.800 2.200 3.400 2.270 2.199 2.322 0.001 11 0 "[ . 1 ]" 1
459 1 41 ARG H 1 41 ARG QD 4.300 3.400 5.200 4.350 3.773 4.692 . 0 0 "[ . 1 ]" 1
460 1 41 ARG H 1 41 ARG QG 3.300 2.500 4.100 3.696 2.405 4.069 0.095 3 0 "[ . 1 ]" 1
461 1 41 ARG H 1 42 GLU H 2.800 2.600 3.000 2.543 2.470 2.618 0.130 7 0 "[ . 1 ]" 1
462 1 41 ARG H 1 42 GLU QG 4.460 . 6.050 5.285 4.171 6.269 0.219 4 0 "[ . 1 ]" 1
463 1 41 ARG H 1 43 VAL H 4.200 3.700 4.400 4.259 4.117 4.372 . 0 0 "[ . 1 ]" 1
464 1 41 ARG HA 1 41 ARG QB 3.000 2.300 3.700 2.397 2.369 2.470 . 0 0 "[ . 1 ]" 1
465 1 41 ARG HA 1 41 ARG QG 3.100 2.400 3.800 2.366 2.270 2.507 0.130 11 0 "[ . 1 ]" 1
466 1 41 ARG HA 1 42 GLU H 3.500 3.000 4.000 3.534 3.523 3.542 . 0 0 "[ . 1 ]" 1
467 1 41 ARG HA 1 43 VAL H 4.400 3.900 4.900 4.469 4.280 4.670 . 0 0 "[ . 1 ]" 1
468 1 41 ARG HA 1 44 GLY H 3.400 2.900 3.900 3.290 3.122 3.487 . 0 0 "[ . 1 ]" 1
469 1 41 ARG QB 1 41 ARG QD 2.500 . 3.200 2.249 2.127 2.538 . 0 0 "[ . 1 ]" 1
470 1 41 ARG QB 1 41 ARG QG 2.800 2.200 3.400 2.102 2.055 2.115 0.145 4 0 "[ . 1 ]" 1
471 1 41 ARG QB 1 42 GLU H 3.690 . 4.430 2.601 2.544 2.705 . 0 0 "[ . 1 ]" 1
472 1 41 ARG QG 1 42 GLU H 4.010 2.010 4.810 3.839 3.648 4.196 . 0 0 "[ . 1 ]" 1
473 1 42 GLU H 1 42 GLU HA 3.300 2.600 4.000 2.797 2.759 2.834 . 0 0 "[ . 1 ]" 1
474 1 42 GLU H 1 42 GLU QB 3.000 2.300 3.700 2.287 2.126 2.382 0.174 11 0 "[ . 1 ]" 1
475 1 42 GLU H 1 42 GLU QG 3.100 2.400 3.800 3.190 2.233 4.050 0.250 4 0 "[ . 1 ]" 1
476 1 42 GLU H 1 43 VAL H 2.800 2.600 3.000 2.780 2.668 2.855 . 0 0 "[ . 1 ]" 1
477 1 42 GLU H 1 43 VAL HA 4.490 2.250 5.390 5.378 5.291 5.435 0.045 1 0 "[ . 1 ]" 1
478 1 42 GLU H 1 43 VAL QG 4.780 2.390 5.740 3.699 3.518 4.068 . 0 0 "[ . 1 ]" 1
479 1 42 GLU H 1 44 GLY H 4.200 3.700 4.700 3.787 3.669 3.856 0.031 8 0 "[ . 1 ]" 1
480 1 42 GLU HA 1 42 GLU QB 2.800 2.200 3.400 2.410 2.373 2.486 . 0 0 "[ . 1 ]" 1
481 1 42 GLU HA 1 42 GLU QG 2.900 2.300 3.500 2.417 2.205 2.728 0.095 11 0 "[ . 1 ]" 1
482 1 42 GLU HA 1 43 VAL H 3.500 3.000 3.700 3.558 3.531 3.579 . 0 0 "[ . 1 ]" 1
483 1 42 GLU QB 1 42 GLU QG 2.800 2.200 3.400 2.089 2.035 2.114 0.165 5 0 "[ . 1 ]" 1
484 1 42 GLU QB 1 43 VAL H 3.410 . 4.090 2.455 2.370 2.534 . 0 0 "[ . 1 ]" 1
485 1 43 VAL H 1 43 VAL HA 3.300 2.600 4.000 2.879 2.858 2.915 . 0 0 "[ . 1 ]" 1
486 1 43 VAL H 1 43 VAL HB 3.200 2.500 3.900 3.200 2.478 3.635 0.022 8 0 "[ . 1 ]" 1
487 1 43 VAL H 1 43 VAL QG 2.300 . 3.000 1.873 1.702 2.175 . 0 0 "[ . 1 ]" 1
488 1 43 VAL H 1 44 GLY H 2.800 2.500 3.000 2.469 2.410 2.569 0.090 11 0 "[ . 1 ]" 1
489 1 43 VAL H 1 44 GLY QA 4.010 2.010 4.810 4.362 4.269 4.452 . 0 0 "[ . 1 ]" 1
490 1 43 VAL H 1 45 TYR H 4.200 3.700 4.700 4.202 3.784 4.728 0.028 5 0 "[ . 1 ]" 1
491 1 43 VAL HA 1 43 VAL HB 2.800 2.200 3.400 2.502 2.442 2.552 . 0 0 "[ . 1 ]" 1
492 1 43 VAL HA 1 43 VAL QG 2.200 . 2.800 2.217 2.172 2.284 . 0 0 "[ . 1 ]" 1
493 1 43 VAL HA 1 44 GLY H 3.500 2.700 4.300 3.392 3.272 3.486 . 0 0 "[ . 1 ]" 1
494 1 43 VAL HA 1 45 TYR H 4.400 3.600 5.200 4.550 4.086 5.250 0.050 7 0 "[ . 1 ]" 1
495 1 43 VAL HB 1 43 VAL QG 3.100 . 3.700 1.911 1.907 1.913 . 0 0 "[ . 1 ]" 1
496 1 43 VAL QG 1 44 GLY H 4.120 2.060 4.940 2.504 2.071 2.851 . 0 0 "[ . 1 ]" 1
497 1 43 VAL QG 1 44 GLY QA 6.000 3.000 6.100 3.466 3.253 3.699 . 0 0 "[ . 1 ]" 1
498 1 43 VAL QG 1 45 TYR QB 5.000 . 6.000 2.235 1.987 2.666 0.013 6 0 "[ . 1 ]" 1
499 1 44 GLY H 1 44 GLY HA3 3.200 2.600 3.800 2.799 2.713 2.929 . 0 0 "[ . 1 ]" 1
500 1 44 GLY H 1 45 TYR H 2.800 2.300 3.300 2.821 2.615 2.996 . 0 0 "[ . 1 ]" 1
501 1 44 GLY H 1 45 TYR QB 3.910 . 4.790 4.587 4.291 4.910 0.120 1 0 "[ . 1 ]" 1
502 1 44 GLY HA3 1 45 TYR H 3.550 . 4.260 3.416 2.910 3.570 . 0 0 "[ . 1 ]" 1
503 1 45 TYR H 1 45 TYR HA 3.300 2.600 4.000 2.893 2.742 2.948 . 0 0 "[ . 1 ]" 1
504 1 45 TYR H 1 45 TYR QB 3.100 2.400 3.800 2.399 2.245 2.697 0.155 6 0 "[ . 1 ]" 1
505 1 45 TYR H 1 46 LEU HG 3.530 . 4.540 4.535 4.055 4.859 0.319 6 0 "[ . 1 ]" 1
506 1 45 TYR HA 1 45 TYR QB 2.500 . 3.200 2.396 2.343 2.443 . 0 0 "[ . 1 ]" 1
507 1 45 TYR HA 1 45 TYR QE 3.700 3.000 4.400 4.407 4.270 4.537 0.137 11 0 "[ . 1 ]" 1
508 1 45 TYR HA 1 46 LEU H 3.000 . 3.180 2.177 2.118 2.293 . 0 0 "[ . 1 ]" 1
509 1 45 TYR QB 1 45 TYR QE 4.000 3.200 4.800 3.966 3.954 3.974 . 0 0 "[ . 1 ]" 1
510 1 45 TYR QB 1 46 LEU H 3.460 . 4.150 3.691 3.442 3.882 . 0 0 "[ . 1 ]" 1
511 1 46 LEU H 1 46 LEU HA 3.300 2.600 4.000 2.940 2.880 2.963 . 0 0 "[ . 1 ]" 1
512 1 46 LEU H 1 46 LEU QB 3.000 2.400 3.600 2.613 2.252 3.246 0.148 4 0 "[ . 1 ]" 1
513 1 46 LEU H 1 46 LEU MD1 4.000 3.200 4.800 3.586 3.243 4.042 . 0 0 "[ . 1 ]" 1
514 1 46 LEU H 1 46 LEU MD2 4.200 3.400 5.000 4.068 3.521 4.370 . 0 0 "[ . 1 ]" 1
515 1 46 LEU H 1 46 LEU HG 2.900 2.300 3.500 2.886 2.192 3.579 0.108 2 0 "[ . 1 ]" 1
516 1 46 LEU HA 1 46 LEU QB 2.900 2.300 3.500 2.361 2.182 2.530 0.118 2 0 "[ . 1 ]" 1
517 1 46 LEU HA 1 46 LEU MD1 3.200 2.600 3.800 3.824 3.686 3.910 0.110 1 0 "[ . 1 ]" 1
518 1 46 LEU HA 1 46 LEU QD 3.400 2.400 4.400 2.381 2.195 3.410 0.205 11 0 "[ . 1 ]" 1
519 1 46 LEU HA 1 46 LEU MD2 3.600 2.400 4.800 2.448 2.206 3.970 0.194 11 0 "[ . 1 ]" 1
520 1 46 LEU HA 1 46 LEU HG 3.100 2.400 3.800 2.744 2.286 3.531 0.114 4 0 "[ . 1 ]" 1
521 1 46 LEU QB 1 46 LEU MD1 3.400 . 4.100 2.106 2.081 2.129 . 0 0 "[ . 1 ]" 1
522 1 46 LEU QB 1 46 LEU MD2 3.400 . 4.100 2.164 2.091 2.238 . 0 0 "[ . 1 ]" 1
523 1 46 LEU QB 1 46 LEU HG 2.100 . 2.500 2.500 2.462 2.541 0.041 2 0 "[ . 1 ]" 1
524 1 46 LEU MD1 1 46 LEU HG 2.700 2.100 3.300 2.144 2.137 2.150 . 0 0 "[ . 1 ]" 1
525 1 46 LEU MD2 1 46 LEU HG 2.700 2.100 3.300 2.152 2.139 2.162 . 0 0 "[ . 1 ]" 1
526 1 47 PRO HA 1 47 PRO QB 2.800 2.200 3.400 2.217 2.191 2.254 0.009 8 0 "[ . 1 ]" 1
527 1 47 PRO HA 1 47 PRO QD 3.800 3.000 4.600 3.387 3.161 3.526 . 0 0 "[ . 1 ]" 1
528 1 47 PRO HA 1 47 PRO QG 3.300 2.600 4.000 3.261 2.908 3.558 . 0 0 "[ . 1 ]" 1
529 1 47 PRO QB 1 47 PRO QD 3.000 2.400 3.600 2.871 2.744 2.982 . 0 0 "[ . 1 ]" 1
530 1 47 PRO QB 1 47 PRO QG 2.600 2.100 3.100 1.962 1.949 1.977 0.151 3 0 "[ . 1 ]" 1
531 1 47 PRO QD 1 47 PRO QG 2.400 . 2.900 1.971 1.953 1.987 . 0 0 "[ . 1 ]" 1
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