NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
372778 |
1dfd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1dfd
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 564
_Distance_constraint_stats_list.Viol_count 1230
_Distance_constraint_stats_list.Viol_total 1185.064
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0507
_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 ARG 0.019 0.019 5 0 "[ . 1 . ]"
1 3 LYS 0.535 0.105 5 0 "[ . 1 . ]"
1 4 PHE 1.915 0.113 16 0 "[ . 1 . ]"
1 5 TYR 2.042 0.122 15 0 "[ . 1 . ]"
1 6 VAL 3.974 0.214 11 0 "[ . 1 . ]"
1 7 ASP 4.961 0.211 18 0 "[ . 1 . ]"
1 8 GLN 4.584 0.211 18 0 "[ . 1 . ]"
1 9 ASP 3.937 0.196 4 0 "[ . 1 . ]"
1 10 GLU 0.825 0.056 1 0 "[ . 1 . ]"
1 11 CYS 0.984 0.062 2 0 "[ . 1 . ]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 14 CYS 0.008 0.008 4 0 "[ . 1 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 16 SER 0.004 0.004 4 0 "[ . 1 . ]"
1 17 CYS 0.189 0.016 14 0 "[ . 1 . ]"
1 18 VAL 0.123 0.019 4 0 "[ . 1 . ]"
1 19 GLU 1.806 0.113 14 0 "[ . 1 . ]"
1 20 ILE 6.441 0.325 19 0 "[ . 1 . ]"
1 21 ALA 2.109 0.113 14 0 "[ . 1 . ]"
1 22 PRO 0.093 0.017 9 0 "[ . 1 . ]"
1 23 GLY 0.038 0.025 9 0 "[ . 1 . ]"
1 24 ALA 0.069 0.037 8 0 "[ . 1 . ]"
1 25 PHE 3.444 0.165 9 0 "[ . 1 . ]"
1 26 ALA 0.818 0.089 9 0 "[ . 1 . ]"
1 27 MET 0.306 0.045 1 0 "[ . 1 . ]"
1 28 ASP 10.988 0.258 7 0 "[ . 1 . ]"
1 29 PRO 1.238 0.088 15 0 "[ . 1 . ]"
1 30 GLU 2.995 0.147 4 0 "[ . 1 . ]"
1 31 ILE 4.617 0.258 7 0 "[ . 1 . ]"
1 32 GLU 3.048 0.107 8 0 "[ . 1 . ]"
1 33 LYS 5.286 0.151 6 0 "[ . 1 . ]"
1 34 ALA 0.041 0.016 7 0 "[ . 1 . ]"
1 35 TYR 3.562 0.102 15 0 "[ . 1 . ]"
1 36 VAL 0.841 0.214 11 0 "[ . 1 . ]"
1 37 LYS 0.762 0.074 19 0 "[ . 1 . ]"
1 38 ASP 1.224 0.090 19 0 "[ . 1 . ]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 40 GLU 0.057 0.014 9 0 "[ . 1 . ]"
1 41 GLY 0.038 0.010 4 0 "[ . 1 . ]"
1 42 ALA 0.015 0.007 17 0 "[ . 1 . ]"
1 43 SER 4.249 0.134 5 0 "[ . 1 . ]"
1 44 GLN 0.235 0.030 8 0 "[ . 1 . ]"
1 45 GLU 1.443 0.179 13 0 "[ . 1 . ]"
1 46 GLU 1.226 0.061 8 0 "[ . 1 . ]"
1 47 VAL 4.932 0.134 5 0 "[ . 1 . ]"
1 48 GLU 4.922 0.179 13 0 "[ . 1 . ]"
1 49 GLU 1.168 0.116 7 0 "[ . 1 . ]"
1 50 ALA 0.575 0.069 8 0 "[ . 1 . ]"
1 51 MET 0.269 0.068 16 0 "[ . 1 . ]"
1 52 ASP 0.068 0.017 19 0 "[ . 1 . ]"
1 53 THR 0.143 0.041 13 0 "[ . 1 . ]"
1 54 CYS 0.789 0.050 15 0 "[ . 1 . ]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 57 GLN 0.279 0.050 15 0 "[ . 1 . ]"
1 58 CYS 0.307 0.050 10 0 "[ . 1 . ]"
1 59 ILE 0.153 0.031 1 0 "[ . 1 . ]"
1 60 HIS 0.424 0.075 11 0 "[ . 1 . ]"
1 61 TRP 2.841 0.113 16 0 "[ . 1 . ]"
1 62 GLU 0.341 0.062 5 0 "[ . 1 . ]"
1 63 ASP 0.011 0.009 5 0 "[ . 1 . ]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 1 SF4 7.002 0.124 14 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 ARG HA 1 3 LYS H 2.700 . 2.900 2.380 2.192 2.919 0.019 5 0 "[ . 1 . ]" 1
2 1 3 LYS H 1 3 LYS HA 2.800 . 3.000 2.973 2.915 2.992 . 0 0 "[ . 1 . ]" 1
3 1 3 LYS H 1 3 LYS HB2 3.300 . 3.500 2.552 2.213 3.583 0.083 5 0 "[ . 1 . ]" 1
4 1 3 LYS H 1 3 LYS HB3 2.900 . 3.100 3.032 2.714 3.131 0.031 14 0 "[ . 1 . ]" 1
5 1 3 LYS H 1 4 PHE HA 5.000 . 5.200 5.042 4.840 5.212 0.012 16 0 "[ . 1 . ]" 1
6 1 3 LYS H 1 62 GLU O 2.300 . 2.500 2.182 1.822 2.373 . 0 0 "[ . 1 . ]" 1
7 1 3 LYS H 1 63 ASP HA 3.500 . 3.700 3.085 2.460 3.709 0.009 5 0 "[ . 1 . ]" 1
8 1 3 LYS HA 1 4 PHE H 2.700 . 2.900 2.893 2.746 3.005 0.105 5 0 "[ . 1 . ]" 1
9 1 3 LYS HA 1 39 VAL MG1 6.000 . 6.200 4.316 3.568 4.982 . 0 0 "[ . 1 . ]" 1
10 1 3 LYS HB2 1 4 PHE H 5.000 . 5.200 3.406 1.786 3.651 0.014 5 0 "[ . 1 . ]" 1
11 1 3 LYS HB3 1 4 PHE H 3.400 . 3.600 2.168 1.874 3.355 . 0 0 "[ . 1 . ]" 1
12 1 3 LYS N 1 62 GLU O 3.000 . 3.200 2.921 2.620 3.208 0.008 1 0 "[ . 1 . ]" 1
13 1 3 LYS O 1 62 GLU H 2.300 . 2.500 2.029 1.798 2.268 0.002 15 0 "[ . 1 . ]" 1
14 1 3 LYS O 1 62 GLU N 3.000 . 3.200 2.960 2.667 3.199 . 0 0 "[ . 1 . ]" 1
15 1 4 PHE CG 1 5 TYR H 7.000 . 7.200 3.471 2.893 3.871 . 0 0 "[ . 1 . ]" 1
16 1 4 PHE CG 1 47 VAL MG1 8.000 . 8.200 3.273 2.671 4.344 . 0 0 "[ . 1 . ]" 1
17 1 4 PHE CG 1 59 ILE QG 8.000 . 8.200 5.296 4.147 6.513 . 0 0 "[ . 1 . ]" 1
18 1 4 PHE CG 1 62 GLU H 7.000 . 7.200 4.797 4.328 5.285 . 0 0 "[ . 1 . ]" 1
19 1 4 PHE CZ 1 24 ALA MB 8.000 . 8.200 4.206 3.203 5.403 . 0 0 "[ . 1 . ]" 1
20 1 4 PHE CZ 1 36 VAL MG1 8.000 . 8.200 3.824 2.448 5.584 . 0 0 "[ . 1 . ]" 1
21 1 4 PHE CZ 1 39 VAL HA 5.800 . 6.000 2.976 2.337 3.608 . 0 0 "[ . 1 . ]" 1
22 1 4 PHE CZ 1 39 VAL MG1 8.000 . 8.200 2.907 2.264 3.834 . 0 0 "[ . 1 . ]" 1
23 1 4 PHE CZ 1 47 VAL MG1 8.000 . 8.200 3.272 2.582 4.955 . 0 0 "[ . 1 . ]" 1
24 1 4 PHE H 1 5 TYR H 5.000 . 5.200 4.373 4.355 4.395 . 0 0 "[ . 1 . ]" 1
25 1 4 PHE H 1 5 TYR HB3 5.000 . 5.200 4.250 4.095 4.453 . 0 0 "[ . 1 . ]" 1
26 1 4 PHE H 1 36 VAL MG1 6.000 . 6.200 4.934 4.622 5.077 . 0 0 "[ . 1 . ]" 1
27 1 4 PHE H 1 39 VAL MG1 6.000 . 6.200 3.686 2.798 4.501 . 0 0 "[ . 1 . ]" 1
28 1 4 PHE H 1 61 TRP HA 4.100 . 4.300 4.351 4.294 4.413 0.113 16 0 "[ . 1 . ]" 1
29 1 4 PHE H 1 62 GLU HB3 2.300 . 2.500 2.517 2.503 2.562 0.062 5 0 "[ . 1 . ]" 1
30 1 4 PHE HA 1 4 PHE HB2 2.700 . 2.900 2.466 2.390 2.563 . 0 0 "[ . 1 . ]" 1
31 1 4 PHE HA 1 4 PHE HB3 2.700 . 2.900 2.484 2.392 2.567 . 0 0 "[ . 1 . ]" 1
32 1 4 PHE HA 1 5 TYR CG 6.700 . 6.900 4.390 4.053 4.625 . 0 0 "[ . 1 . ]" 1
33 1 4 PHE HA 1 5 TYR H 2.700 . 2.900 2.643 2.494 2.891 . 0 0 "[ . 1 . ]" 1
34 1 4 PHE HA 1 5 TYR HB3 5.000 . 5.200 4.401 4.313 4.525 . 0 0 "[ . 1 . ]" 1
35 1 4 PHE HA 1 51 MET ME 6.000 . 6.200 5.126 4.869 5.239 . 0 0 "[ . 1 . ]" 1
36 1 4 PHE HA 1 61 TRP HA 2.800 . 3.000 1.818 1.765 1.877 0.035 16 0 "[ . 1 . ]" 1
37 1 4 PHE HA 1 61 TRP HB3 5.000 . 5.200 3.607 3.448 3.791 . 0 0 "[ . 1 . ]" 1
38 1 4 PHE HA 1 61 TRP HE3 5.000 . 5.200 4.253 3.358 4.548 . 0 0 "[ . 1 . ]" 1
39 1 4 PHE HA 1 62 GLU H 3.300 . 3.500 2.226 1.858 2.761 . 0 0 "[ . 1 . ]" 1
40 1 4 PHE HB2 1 5 TYR H 3.300 . 3.500 2.166 1.948 2.327 . 0 0 "[ . 1 . ]" 1
41 1 4 PHE HB2 1 51 MET ME 6.000 . 6.200 3.528 2.889 4.111 . 0 0 "[ . 1 . ]" 1
42 1 4 PHE HB2 1 59 ILE QG 6.000 . 6.200 4.023 3.373 5.296 . 0 0 "[ . 1 . ]" 1
43 1 4 PHE HB2 1 61 TRP HA 4.400 . 4.600 2.219 1.996 2.605 . 0 0 "[ . 1 . ]" 1
44 1 4 PHE HB2 1 61 TRP HE3 3.900 . 4.100 3.984 2.275 4.142 0.042 7 0 "[ . 1 . ]" 1
45 1 4 PHE HB3 1 5 TYR H 3.900 . 4.100 3.635 3.446 3.789 . 0 0 "[ . 1 . ]" 1
46 1 4 PHE HB3 1 51 MET ME 6.000 . 6.200 4.157 3.583 4.580 . 0 0 "[ . 1 . ]" 1
47 1 4 PHE HB3 1 61 TRP HA 3.400 . 3.600 2.156 1.869 2.338 . 0 0 "[ . 1 . ]" 1
48 1 4 PHE HB3 1 61 TRP HE3 3.300 . 3.500 2.526 2.219 2.861 . 0 0 "[ . 1 . ]" 1
49 1 4 PHE HB3 1 61 TRP HZ3 5.000 . 5.200 3.945 3.634 4.176 . 0 0 "[ . 1 . ]" 1
50 1 5 TYR CG 1 6 VAL H 7.000 . 7.200 3.295 2.935 3.696 . 0 0 "[ . 1 . ]" 1
51 1 5 TYR CG 1 36 VAL MG1 8.000 . 8.200 4.505 3.578 5.233 . 0 0 "[ . 1 . ]" 1
52 1 5 TYR CG 1 62 GLU H 7.000 . 7.200 6.182 5.840 6.806 . 0 0 "[ . 1 . ]" 1
53 1 5 TYR CG 1 62 GLU HA 7.000 . 7.200 5.952 5.149 6.512 . 0 0 "[ . 1 . ]" 1
54 1 5 TYR CZ 1 6 VAL HA 7.000 . 7.200 5.401 5.107 6.160 . 0 0 "[ . 1 . ]" 1
55 1 5 TYR CZ 1 7 ASP HA 6.700 . 6.900 6.501 5.962 6.906 0.006 16 0 "[ . 1 . ]" 1
56 1 5 TYR CZ 1 7 ASP HB2 6.200 . 6.400 5.944 5.144 6.413 0.013 8 0 "[ . 1 . ]" 1
57 1 5 TYR CZ 1 60 HIS HB3 6.700 . 6.900 4.948 2.668 6.647 . 0 0 "[ . 1 . ]" 1
58 1 5 TYR CZ 1 62 GLU HA 6.100 . 6.300 5.111 4.280 5.646 . 0 0 "[ . 1 . ]" 1
59 1 5 TYR H 1 6 VAL HA 5.000 . 5.200 4.326 4.219 4.567 . 0 0 "[ . 1 . ]" 1
60 1 5 TYR H 1 6 VAL MG1 6.000 . 6.200 5.177 5.013 5.274 . 0 0 "[ . 1 . ]" 1
61 1 5 TYR H 1 51 MET ME 6.000 . 6.200 4.406 4.046 4.870 . 0 0 "[ . 1 . ]" 1
62 1 5 TYR H 1 59 ILE QG 6.000 . 6.200 3.578 3.003 4.864 . 0 0 "[ . 1 . ]" 1
63 1 5 TYR H 1 60 HIS H 3.200 . 3.400 3.229 2.740 3.445 0.045 14 0 "[ . 1 . ]" 1
64 1 5 TYR H 1 60 HIS HB2 5.000 . 5.200 4.758 4.179 5.215 0.015 10 0 "[ . 1 . ]" 1
65 1 5 TYR H 1 61 TRP HA 4.900 . 5.100 3.164 2.501 3.549 . 0 0 "[ . 1 . ]" 1
66 1 5 TYR HA 1 5 TYR HB2 2.900 . 3.100 2.462 2.404 2.550 . 0 0 "[ . 1 . ]" 1
67 1 5 TYR HA 1 5 TYR HB3 2.900 . 3.100 2.486 2.411 2.537 . 0 0 "[ . 1 . ]" 1
68 1 5 TYR HA 1 6 VAL H 3.100 . 3.300 2.729 2.652 2.931 . 0 0 "[ . 1 . ]" 1
69 1 5 TYR HA 1 36 VAL H 4.500 . 4.700 4.366 3.966 4.764 0.064 11 0 "[ . 1 . ]" 1
70 1 5 TYR HA 1 36 VAL HB 4.700 . 4.900 2.551 2.000 3.692 . 0 0 "[ . 1 . ]" 1
71 1 5 TYR HA 1 36 VAL MG1 5.500 . 5.700 1.907 1.722 2.204 0.078 8 0 "[ . 1 . ]" 1
72 1 5 TYR HB2 1 6 VAL H 5.000 . 5.200 2.046 1.934 2.119 . 0 0 "[ . 1 . ]" 1
73 1 5 TYR HB3 1 6 VAL H 3.300 . 3.500 3.573 3.497 3.622 0.122 15 0 "[ . 1 . ]" 1
74 1 5 TYR O 1 60 HIS H 2.300 . 2.500 2.198 1.887 2.395 . 0 0 "[ . 1 . ]" 1
75 1 5 TYR O 1 60 HIS N 3.000 . 3.200 3.133 2.830 3.275 0.075 11 0 "[ . 1 . ]" 1
76 1 6 VAL H 1 7 ASP HA 4.800 . 5.000 4.788 4.572 4.936 . 0 0 "[ . 1 . ]" 1
77 1 6 VAL H 1 35 TYR HA 4.500 . 4.700 4.754 4.595 4.802 0.102 15 0 "[ . 1 . ]" 1
78 1 6 VAL H 1 36 VAL HA 5.600 . 5.800 5.386 4.508 5.814 0.014 7 0 "[ . 1 . ]" 1
79 1 6 VAL H 1 36 VAL HB 3.600 . 3.800 3.070 2.366 4.014 0.214 11 0 "[ . 1 . ]" 1
80 1 6 VAL H 1 36 VAL MG1 6.000 . 6.200 3.276 1.939 4.127 . 0 0 "[ . 1 . ]" 1
81 1 6 VAL HA 1 7 ASP H 3.000 . 3.200 2.424 2.183 2.657 . 0 0 "[ . 1 . ]" 1
82 1 6 VAL HA 1 59 ILE HA 3.500 . 3.700 2.080 1.910 2.379 . 0 0 "[ . 1 . ]" 1
83 1 6 VAL HB 1 8 GLN H 3.500 . 3.700 3.571 2.600 3.804 0.104 17 0 "[ . 1 . ]" 1
84 1 6 VAL HB 1 8 GLN HE22 4.600 . 4.800 3.950 1.825 4.815 0.015 19 0 "[ . 1 . ]" 1
85 1 6 VAL HB 1 35 TYR HA 3.800 . 4.000 3.031 2.631 3.581 . 0 0 "[ . 1 . ]" 1
86 1 6 VAL HB 1 36 VAL H 5.000 . 5.200 3.266 2.679 4.377 . 0 0 "[ . 1 . ]" 1
87 1 6 VAL MG1 1 7 ASP H 6.000 . 6.200 1.918 1.734 2.661 0.066 1 0 "[ . 1 . ]" 1
88 1 6 VAL MG1 1 7 ASP HA 6.000 . 6.200 4.215 3.955 4.789 . 0 0 "[ . 1 . ]" 1
89 1 6 VAL MG1 1 9 ASP H 6.000 . 6.200 5.051 4.880 5.116 . 0 0 "[ . 1 . ]" 1
90 1 6 VAL MG1 1 36 VAL MG1 7.000 . 7.200 4.957 4.683 5.055 . 0 0 "[ . 1 . ]" 1
91 1 7 ASP H 1 7 ASP HB2 3.800 . 4.000 2.647 2.245 3.249 . 0 0 "[ . 1 . ]" 1
92 1 7 ASP H 1 7 ASP HB3 3.900 . 4.100 3.184 2.531 3.632 . 0 0 "[ . 1 . ]" 1
93 1 7 ASP H 1 8 GLN HA 4.500 . 4.700 4.540 4.236 4.719 0.019 6 0 "[ . 1 . ]" 1
94 1 7 ASP H 1 58 CYS HB3 4.600 . 4.800 3.985 2.791 4.811 0.011 8 0 "[ . 1 . ]" 1
95 1 7 ASP H 1 59 ILE HA 4.000 . 4.200 3.112 2.327 3.677 . 0 0 "[ . 1 . ]" 1
96 1 7 ASP H 1 60 HIS HE1 4.500 . 4.700 4.134 3.153 4.707 0.007 7 0 "[ . 1 . ]" 1
97 1 7 ASP HA 1 7 ASP HB2 3.000 . 3.200 2.765 2.408 2.981 . 0 0 "[ . 1 . ]" 1
98 1 7 ASP HA 1 8 GLN H 2.700 . 2.900 2.328 2.122 3.111 0.211 18 0 "[ . 1 . ]" 1
99 1 7 ASP HA 1 8 GLN HA 4.700 . 4.900 4.593 4.453 5.035 0.135 18 0 "[ . 1 . ]" 1
100 1 7 ASP HA 1 9 ASP H 3.500 . 3.700 3.564 3.014 3.867 0.167 18 0 "[ . 1 . ]" 1
101 1 7 ASP HA 1 25 PHE CZ 7.000 . 7.200 7.287 7.244 7.365 0.165 9 0 "[ . 1 . ]" 1
102 1 7 ASP HB2 1 8 GLN H 4.300 . 4.500 4.541 4.286 4.600 0.100 12 0 "[ . 1 . ]" 1
103 1 7 ASP HB2 1 58 CYS HB3 5.000 . 5.200 4.340 3.151 5.157 . 0 0 "[ . 1 . ]" 1
104 1 7 ASP HB2 1 60 HIS HE1 3.400 . 3.600 2.758 2.042 3.501 . 0 0 "[ . 1 . ]" 1
105 1 7 ASP HB3 1 10 GLU H 4.400 . 4.600 3.672 2.753 4.485 . 0 0 "[ . 1 . ]" 1
106 1 7 ASP HB3 1 58 CYS HA 5.000 . 5.200 4.410 1.916 5.205 0.005 8 0 "[ . 1 . ]" 1
107 1 7 ASP HB3 1 58 CYS HB3 5.000 . 5.200 3.770 2.082 5.202 0.002 7 0 "[ . 1 . ]" 1
108 1 7 ASP HB3 1 60 HIS HE1 4.100 . 4.300 3.635 2.656 4.319 0.019 7 0 "[ . 1 . ]" 1
109 1 8 GLN H 1 8 GLN HB3 3.700 . 3.900 3.186 2.351 3.605 . 0 0 "[ . 1 . ]" 1
110 1 8 GLN H 1 9 ASP H 3.500 . 3.700 3.161 2.753 3.424 . 0 0 "[ . 1 . ]" 1
111 1 8 GLN H 1 9 ASP HB2 5.000 . 5.200 4.724 4.558 4.914 . 0 0 "[ . 1 . ]" 1
112 1 8 GLN HA 1 10 GLU H 4.200 . 4.400 3.769 3.230 4.287 . 0 0 "[ . 1 . ]" 1
113 1 8 GLN HA 1 11 CYS H 3.400 . 3.600 3.062 2.459 3.612 0.012 14 0 "[ . 1 . ]" 1
114 1 8 GLN HA 1 11 CYS HB2 3.000 . 3.200 2.424 1.859 2.755 . 0 0 "[ . 1 . ]" 1
115 1 8 GLN HA 1 11 CYS HB3 3.000 . 3.200 2.858 2.634 3.113 . 0 0 "[ . 1 . ]" 1
116 1 8 GLN HA 1 33 LYS HB3 3.700 . 3.900 3.369 2.955 3.705 . 0 0 "[ . 1 . ]" 1
117 1 8 GLN HB2 1 9 ASP H 5.000 . 5.200 4.102 3.099 4.510 . 0 0 "[ . 1 . ]" 1
118 1 8 GLN HB3 1 9 ASP H 4.000 . 4.200 4.261 3.968 4.396 0.196 4 0 "[ . 1 . ]" 1
119 1 8 GLN HB3 1 11 CYS HB2 4.000 . 4.200 4.116 3.740 4.221 0.021 9 0 "[ . 1 . ]" 1
120 1 8 GLN HE21 1 35 TYR QB 5.200 . 5.400 2.932 1.773 4.728 0.027 18 0 "[ . 1 . ]" 1
121 1 8 GLN HE22 1 35 TYR QB 5.200 . 5.400 3.102 1.959 4.874 . 0 0 "[ . 1 . ]" 1
122 1 9 ASP H 1 9 ASP HB2 4.000 . 4.200 2.289 2.086 2.623 . 0 0 "[ . 1 . ]" 1
123 1 9 ASP H 1 9 ASP HB3 3.300 . 3.500 3.172 2.937 3.454 . 0 0 "[ . 1 . ]" 1
124 1 9 ASP H 1 10 GLU H 2.900 . 3.100 2.317 1.879 2.877 . 0 0 "[ . 1 . ]" 1
125 1 9 ASP H 1 10 GLU HB3 5.000 . 5.200 5.204 5.094 5.256 0.056 1 0 "[ . 1 . ]" 1
126 1 9 ASP HA 1 9 ASP HB3 2.900 . 3.100 2.905 2.774 3.003 . 0 0 "[ . 1 . ]" 1
127 1 9 ASP HB2 1 10 GLU H 5.000 . 5.200 3.398 2.882 3.652 . 0 0 "[ . 1 . ]" 1
128 1 9 ASP HB3 1 10 GLU H 5.000 . 5.200 2.998 2.404 3.344 . 0 0 "[ . 1 . ]" 1
129 1 9 ASP HB3 1 10 GLU HA 4.000 . 4.200 4.144 3.970 4.255 0.055 7 0 "[ . 1 . ]" 1
130 1 10 GLU H 1 10 GLU HB2 3.800 . 4.000 2.459 2.192 2.823 . 0 0 "[ . 1 . ]" 1
131 1 10 GLU H 1 10 GLU HG3 5.000 . 5.200 4.466 4.103 4.699 . 0 0 "[ . 1 . ]" 1
132 1 10 GLU HA 1 10 GLU HB2 2.900 . 3.100 2.751 2.428 2.938 . 0 0 "[ . 1 . ]" 1
133 1 10 GLU HB2 1 58 CYS HA 4.000 . 4.200 4.205 4.027 4.250 0.050 10 0 "[ . 1 . ]" 1
134 1 10 GLU HB2 1 58 CYS HB3 5.000 . 5.200 3.090 2.194 4.392 . 0 0 "[ . 1 . ]" 1
135 1 11 CYS H 1 33 LYS QB 6.000 . 6.200 4.305 3.914 4.636 . 0 0 "[ . 1 . ]" 1
136 1 11 CYS HB2 1 33 LYS QB 4.000 . 4.200 3.256 2.900 3.394 . 0 0 "[ . 1 . ]" 1
137 1 11 CYS HB3 1 33 LYS HA 4.000 . 4.200 4.207 4.088 4.262 0.062 2 0 "[ . 1 . ]" 1
138 1 11 CYS HB3 1 33 LYS QB 3.000 . 3.200 2.270 1.849 2.605 . 0 0 "[ . 1 . ]" 1
139 1 11 CYS SG 1 14 CYS SG 6.380 . 6.580 6.469 6.410 6.588 0.008 4 0 "[ . 1 . ]" 1
140 1 11 CYS SG 1 17 CYS SG 6.380 . 6.580 6.298 6.245 6.360 . 0 0 "[ . 1 . ]" 1
141 1 11 CYS SG 1 54 CYS SG 6.380 . 6.580 6.599 6.574 6.629 0.049 11 0 "[ . 1 . ]" 1
142 1 12 ILE QG 1 14 CYS HB3 3.000 . 3.200 2.660 2.081 2.960 . 0 0 "[ . 1 . ]" 1
143 1 14 CYS HA 1 14 CYS HB2 3.000 . 3.200 2.282 2.244 2.457 . 0 0 "[ . 1 . ]" 1
144 1 14 CYS HA 1 14 CYS HB3 3.000 . 3.200 2.735 2.455 2.864 . 0 0 "[ . 1 . ]" 1
145 1 14 CYS SG 1 17 CYS SG 6.380 . 6.580 6.186 6.132 6.283 . 0 0 "[ . 1 . ]" 1
146 1 14 CYS SG 1 54 CYS SG 6.380 . 6.580 5.955 5.819 6.088 . 0 0 "[ . 1 . ]" 1
147 1 15 GLU O 1 19 GLU H 2.300 . 2.500 2.091 1.803 2.467 . 0 0 "[ . 1 . ]" 1
148 1 15 GLU O 1 19 GLU N 3.000 . 3.200 2.891 2.487 3.193 . 0 0 "[ . 1 . ]" 1
149 1 16 SER O 1 20 ILE H 2.300 . 2.500 2.154 1.884 2.310 . 0 0 "[ . 1 . ]" 1
150 1 16 SER O 1 20 ILE N 3.000 . 3.200 3.038 2.774 3.204 0.004 4 0 "[ . 1 . ]" 1
151 1 17 CYS HB2 1 25 PHE CG 4.000 . 4.200 3.630 3.150 3.892 . 0 0 "[ . 1 . ]" 1
152 1 17 CYS HB2 1 25 PHE CZ 4.500 . 4.700 4.311 3.883 4.686 . 0 0 "[ . 1 . ]" 1
153 1 17 CYS HB2 1 25 PHE HB2 4.000 . 4.200 3.848 3.320 4.158 . 0 0 "[ . 1 . ]" 1
154 1 17 CYS HB2 1 25 PHE HB3 4.000 . 4.200 4.037 3.117 4.216 0.016 14 0 "[ . 1 . ]" 1
155 1 17 CYS HB2 1 50 ALA HA 4.500 . 4.700 4.178 3.807 4.578 . 0 0 "[ . 1 . ]" 1
156 1 17 CYS HB2 1 50 ALA MB 3.500 . 3.700 2.364 2.023 2.685 . 0 0 "[ . 1 . ]" 1
157 1 17 CYS O 1 21 ALA H 2.300 . 2.500 2.498 2.361 2.514 0.014 12 0 "[ . 1 . ]" 1
158 1 17 CYS O 1 21 ALA N 3.000 . 3.200 2.829 2.656 2.943 . 0 0 "[ . 1 . ]" 1
159 1 17 CYS SG 1 54 CYS SG 6.380 . 6.580 6.437 6.333 6.514 . 0 0 "[ . 1 . ]" 1
160 1 18 VAL H 1 18 VAL HA 2.900 . 3.100 2.792 2.763 2.829 . 0 0 "[ . 1 . ]" 1
161 1 18 VAL H 1 18 VAL HB 3.000 . 3.200 2.653 2.484 2.826 . 0 0 "[ . 1 . ]" 1
162 1 18 VAL HA 1 20 ILE H 4.700 . 4.900 4.445 4.252 4.615 . 0 0 "[ . 1 . ]" 1
163 1 18 VAL HA 1 21 ALA H 3.800 . 4.000 3.672 3.474 3.917 . 0 0 "[ . 1 . ]" 1
164 1 18 VAL HA 1 25 PHE H 3.900 . 4.100 4.039 3.876 4.119 0.019 4 0 "[ . 1 . ]" 1
165 1 18 VAL HA 1 25 PHE HB2 3.100 . 3.300 3.203 2.944 3.314 0.014 10 0 "[ . 1 . ]" 1
166 1 18 VAL HA 1 25 PHE HB3 3.500 . 3.700 2.172 1.956 2.752 . 0 0 "[ . 1 . ]" 1
167 1 18 VAL HB 1 19 GLU H 3.800 . 4.000 2.804 2.453 3.089 . 0 0 "[ . 1 . ]" 1
168 1 18 VAL MG1 1 19 GLU HA 6.000 . 6.200 3.668 3.254 4.106 . 0 0 "[ . 1 . ]" 1
169 1 18 VAL MG1 1 26 ALA HA 6.000 . 6.200 2.555 1.854 3.371 . 0 0 "[ . 1 . ]" 1
170 1 18 VAL MG1 1 27 MET H 6.000 . 6.200 3.537 3.017 4.035 . 0 0 "[ . 1 . ]" 1
171 1 19 GLU H 1 19 GLU HB2 4.000 . 4.200 2.205 2.122 2.381 . 0 0 "[ . 1 . ]" 1
172 1 19 GLU H 1 19 GLU HB3 4.100 . 4.300 3.278 2.780 3.528 . 0 0 "[ . 1 . ]" 1
173 1 19 GLU H 1 19 GLU HG2 4.100 . 4.300 3.852 3.154 4.312 0.012 16 0 "[ . 1 . ]" 1
174 1 19 GLU H 1 19 GLU HG3 4.900 . 5.100 4.062 3.159 4.579 . 0 0 "[ . 1 . ]" 1
175 1 19 GLU H 1 20 ILE H 3.600 . 3.800 2.467 2.294 2.673 . 0 0 "[ . 1 . ]" 1
176 1 19 GLU H 1 21 ALA H 5.000 . 5.200 3.741 3.582 3.864 . 0 0 "[ . 1 . ]" 1
177 1 19 GLU HA 1 19 GLU HB2 3.000 . 3.200 2.863 2.593 2.987 . 0 0 "[ . 1 . ]" 1
178 1 19 GLU HA 1 21 ALA H 3.100 . 3.300 3.394 3.366 3.413 0.113 14 0 "[ . 1 . ]" 1
179 1 19 GLU HB2 1 20 ILE H 5.000 . 5.200 3.227 2.909 3.704 . 0 0 "[ . 1 . ]" 1
180 1 19 GLU HB3 1 20 ILE H 4.600 . 4.800 3.094 2.566 3.505 . 0 0 "[ . 1 . ]" 1
181 1 19 GLU HB3 1 20 ILE HA 4.000 . 4.200 4.094 3.979 4.210 0.010 13 0 "[ . 1 . ]" 1
182 1 20 ILE H 1 20 ILE HB 3.400 . 3.600 2.497 2.242 2.691 . 0 0 "[ . 1 . ]" 1
183 1 20 ILE H 1 20 ILE HG12 4.900 . 5.100 3.681 2.940 4.093 . 0 0 "[ . 1 . ]" 1
184 1 20 ILE H 1 20 ILE HG13 2.800 . 3.000 2.645 2.217 3.038 0.038 18 0 "[ . 1 . ]" 1
185 1 20 ILE H 1 21 ALA H 2.900 . 3.100 2.606 2.550 2.650 . 0 0 "[ . 1 . ]" 1
186 1 20 ILE HA 1 20 ILE HG12 3.000 . 3.200 2.955 2.077 3.233 0.033 6 0 "[ . 1 . ]" 1
187 1 20 ILE HA 1 20 ILE HG13 3.100 . 3.300 2.681 2.258 3.407 0.107 18 0 "[ . 1 . ]" 1
188 1 20 ILE HA 1 21 ALA HA 4.800 . 5.000 4.495 4.462 4.536 . 0 0 "[ . 1 . ]" 1
189 1 20 ILE HA 1 22 PRO HD2 4.700 . 4.900 4.816 4.612 4.917 0.017 9 0 "[ . 1 . ]" 1
190 1 20 ILE HB 1 20 ILE HG12 2.400 . 2.600 2.794 2.745 2.925 0.325 19 0 "[ . 1 . ]" 1
191 1 20 ILE HB 1 20 ILE HG13 2.500 . 2.700 2.660 2.201 2.832 0.132 7 0 "[ . 1 . ]" 1
192 1 20 ILE HB 1 21 ALA H 5.000 . 5.200 3.774 3.630 3.881 . 0 0 "[ . 1 . ]" 1
193 1 20 ILE QG 1 21 ALA H 6.000 . 6.200 4.348 4.194 4.487 . 0 0 "[ . 1 . ]" 1
194 1 20 ILE QG 1 46 GLU HA 6.000 . 6.200 5.379 5.011 5.532 . 0 0 "[ . 1 . ]" 1
195 1 20 ILE QG 1 50 ALA H 6.000 . 6.200 4.272 3.791 4.827 . 0 0 "[ . 1 . ]" 1
196 1 20 ILE QG 1 50 ALA HA 6.000 . 6.200 3.129 2.859 3.485 . 0 0 "[ . 1 . ]" 1
197 1 20 ILE QG 1 53 THR H 6.000 . 6.200 5.238 4.873 5.483 . 0 0 "[ . 1 . ]" 1
198 1 20 ILE QG 1 53 THR HB 6.000 . 6.200 4.303 3.423 5.371 . 0 0 "[ . 1 . ]" 1
199 1 20 ILE HG13 1 50 ALA HA 3.700 . 3.900 3.780 3.193 3.969 0.069 8 0 "[ . 1 . ]" 1
200 1 21 ALA H 1 22 PRO HA 4.200 . 4.400 4.038 3.983 4.117 . 0 0 "[ . 1 . ]" 1
201 1 21 ALA H 1 22 PRO HD2 4.100 . 4.300 3.322 3.100 3.637 . 0 0 "[ . 1 . ]" 1
202 1 21 ALA H 1 22 PRO HD3 4.200 . 4.400 2.182 1.911 2.608 . 0 0 "[ . 1 . ]" 1
203 1 21 ALA H 1 25 PHE CG 7.000 . 7.200 6.682 6.384 6.961 . 0 0 "[ . 1 . ]" 1
204 1 21 ALA H 1 50 ALA MB 6.000 . 6.200 3.968 3.403 4.501 . 0 0 "[ . 1 . ]" 1
205 1 21 ALA HA 1 22 PRO HD2 3.500 . 3.700 2.220 2.131 2.321 . 0 0 "[ . 1 . ]" 1
206 1 21 ALA HA 1 22 PRO HD3 2.800 . 3.000 2.954 2.875 3.010 0.010 13 0 "[ . 1 . ]" 1
207 1 21 ALA HA 1 24 ALA MB 6.000 . 6.200 4.305 3.844 4.911 . 0 0 "[ . 1 . ]" 1
208 1 21 ALA HA 1 42 ALA MB 6.000 . 6.200 2.582 2.272 3.355 . 0 0 "[ . 1 . ]" 1
209 1 21 ALA MB 1 23 GLY H 6.000 . 6.200 3.455 3.248 3.908 . 0 0 "[ . 1 . ]" 1
210 1 21 ALA MB 1 24 ALA H 6.000 . 6.200 2.860 2.567 3.393 . 0 0 "[ . 1 . ]" 1
211 1 21 ALA MB 1 25 PHE CG 8.000 . 8.200 4.159 3.683 4.523 . 0 0 "[ . 1 . ]" 1
212 1 21 ALA MB 1 25 PHE CZ 8.000 . 8.200 6.096 5.428 6.459 . 0 0 "[ . 1 . ]" 1
213 1 21 ALA MB 1 25 PHE H 6.000 . 6.200 2.525 2.095 3.054 . 0 0 "[ . 1 . ]" 1
214 1 21 ALA MB 1 42 ALA HA 6.000 . 6.200 3.837 3.329 4.412 . 0 0 "[ . 1 . ]" 1
215 1 21 ALA MB 1 46 GLU HA 6.000 . 6.200 4.748 4.153 4.958 . 0 0 "[ . 1 . ]" 1
216 1 21 ALA MB 1 47 VAL H 6.000 . 6.200 4.369 3.967 4.866 . 0 0 "[ . 1 . ]" 1
217 1 21 ALA MB 1 47 VAL HA 6.000 . 6.200 3.234 2.534 4.153 . 0 0 "[ . 1 . ]" 1
218 1 21 ALA MB 1 50 ALA H 6.000 . 6.200 4.496 3.978 4.940 . 0 0 "[ . 1 . ]" 1
219 1 21 ALA O 1 25 PHE H 2.300 . 2.500 2.163 1.818 2.398 . 0 0 "[ . 1 . ]" 1
220 1 21 ALA O 1 25 PHE N 3.000 . 3.200 3.034 2.734 3.237 0.037 7 0 "[ . 1 . ]" 1
221 1 22 PRO HA 1 25 PHE H 5.000 . 5.200 4.334 3.636 4.787 . 0 0 "[ . 1 . ]" 1
222 1 22 PRO HD3 1 23 GLY H 5.000 . 5.200 4.393 3.808 5.196 . 0 0 "[ . 1 . ]" 1
223 1 23 GLY H 1 24 ALA H 3.500 . 3.700 2.164 1.894 2.762 . 0 0 "[ . 1 . ]" 1
224 1 23 GLY H 1 25 PHE H 3.700 . 3.900 3.145 2.431 3.913 0.013 9 0 "[ . 1 . ]" 1
225 1 23 GLY H 1 41 GLY HA3 5.000 . 5.200 4.320 3.727 4.706 . 0 0 "[ . 1 . ]" 1
226 1 23 GLY H 1 42 ALA MB 6.000 . 6.200 3.884 3.218 4.741 . 0 0 "[ . 1 . ]" 1
227 1 23 GLY HA3 1 25 PHE H 5.000 . 5.200 4.825 4.258 5.225 0.025 9 0 "[ . 1 . ]" 1
228 1 24 ALA H 1 25 PHE HA 5.000 . 5.200 5.040 4.769 5.237 0.037 8 0 "[ . 1 . ]" 1
229 1 24 ALA H 1 25 PHE HB2 5.000 . 5.200 4.423 4.113 4.780 . 0 0 "[ . 1 . ]" 1
230 1 24 ALA H 1 41 GLY HA2 4.500 . 4.700 4.359 3.825 4.701 0.001 10 0 "[ . 1 . ]" 1
231 1 24 ALA H 1 41 GLY HA3 3.700 . 3.900 2.991 2.307 3.450 . 0 0 "[ . 1 . ]" 1
232 1 24 ALA H 1 42 ALA MB 6.000 . 6.200 2.807 2.137 3.905 . 0 0 "[ . 1 . ]" 1
233 1 24 ALA HA 1 37 LYS QG 5.800 . 6.000 3.680 2.380 5.382 . 0 0 "[ . 1 . ]" 1
234 1 24 ALA HA 1 38 ASP H 3.500 . 3.700 2.424 1.847 2.789 . 0 0 "[ . 1 . ]" 1
235 1 24 ALA HA 1 41 GLY H 4.800 . 5.000 3.435 3.107 4.425 . 0 0 "[ . 1 . ]" 1
236 1 24 ALA HA 1 41 GLY HA3 4.500 . 4.700 2.969 2.272 3.772 . 0 0 "[ . 1 . ]" 1
237 1 24 ALA MB 1 25 PHE CG 8.000 . 8.200 4.754 4.321 4.990 . 0 0 "[ . 1 . ]" 1
238 1 24 ALA MB 1 36 VAL MG1 7.000 . 7.200 3.485 2.564 4.776 . 0 0 "[ . 1 . ]" 1
239 1 24 ALA MB 1 38 ASP H 6.000 . 6.200 3.313 2.618 3.647 . 0 0 "[ . 1 . ]" 1
240 1 24 ALA MB 1 39 VAL HA 6.000 . 6.200 2.810 1.884 4.046 . 0 0 "[ . 1 . ]" 1
241 1 24 ALA MB 1 41 GLY H 6.000 . 6.200 2.799 2.331 3.286 . 0 0 "[ . 1 . ]" 1
242 1 24 ALA MB 1 41 GLY HA3 6.000 . 6.200 2.864 1.870 3.432 . 0 0 "[ . 1 . ]" 1
243 1 24 ALA MB 1 42 ALA H 6.000 . 6.200 2.457 1.903 3.248 . 0 0 "[ . 1 . ]" 1
244 1 24 ALA MB 1 47 VAL MG1 7.000 . 7.200 4.389 3.710 4.943 . 0 0 "[ . 1 . ]" 1
245 1 25 PHE CG 1 36 VAL HA 7.000 . 7.200 3.996 3.686 4.532 . 0 0 "[ . 1 . ]" 1
246 1 25 PHE CG 1 36 VAL MG1 8.000 . 8.200 5.391 4.398 6.134 . 0 0 "[ . 1 . ]" 1
247 1 25 PHE CZ 1 47 VAL MG1 8.000 . 8.200 6.651 6.117 6.753 . 0 0 "[ . 1 . ]" 1
248 1 25 PHE CZ 1 59 ILE QG 8.000 . 8.200 4.724 2.992 6.728 . 0 0 "[ . 1 . ]" 1
249 1 25 PHE H 1 25 PHE HB2 3.800 . 4.000 2.312 2.148 2.561 . 0 0 "[ . 1 . ]" 1
250 1 25 PHE HA 1 26 ALA H 2.700 . 2.900 2.245 2.186 2.308 . 0 0 "[ . 1 . ]" 1
251 1 25 PHE HA 1 26 ALA HA 5.000 . 5.200 4.528 4.490 4.571 . 0 0 "[ . 1 . ]" 1
252 1 25 PHE HA 1 26 ALA MB 6.000 . 6.200 3.899 3.825 4.001 . 0 0 "[ . 1 . ]" 1
253 1 25 PHE HA 1 35 TYR H 3.300 . 3.500 3.454 3.303 3.571 0.071 15 0 "[ . 1 . ]" 1
254 1 25 PHE HA 1 36 VAL HA 2.900 . 3.100 2.577 2.324 3.131 0.031 11 0 "[ . 1 . ]" 1
255 1 25 PHE HA 1 36 VAL MG1 6.000 . 6.200 4.695 3.913 5.190 . 0 0 "[ . 1 . ]" 1
256 1 25 PHE HA 1 37 LYS H 3.200 . 3.400 3.262 2.614 3.470 0.070 13 0 "[ . 1 . ]" 1
257 1 25 PHE HA 1 38 ASP H 4.500 . 4.700 4.676 4.490 4.790 0.090 19 0 "[ . 1 . ]" 1
258 1 25 PHE HB2 1 26 ALA H 5.000 . 5.200 4.410 4.326 4.494 . 0 0 "[ . 1 . ]" 1
259 1 25 PHE HB3 1 26 ALA H 3.300 . 3.500 3.498 3.312 3.552 0.052 19 0 "[ . 1 . ]" 1
260 1 25 PHE HB3 1 35 TYR H 5.000 . 5.200 4.720 4.443 4.952 . 0 0 "[ . 1 . ]" 1
261 1 26 ALA H 1 27 MET H 4.500 . 4.700 4.079 3.935 4.339 . 0 0 "[ . 1 . ]" 1
262 1 26 ALA H 1 35 TYR H 3.300 . 3.500 1.864 1.782 2.026 0.018 3 0 "[ . 1 . ]" 1
263 1 26 ALA H 1 35 TYR O 2.300 . 2.500 2.326 2.106 2.479 . 0 0 "[ . 1 . ]" 1
264 1 26 ALA H 1 36 VAL HA 4.100 . 4.300 4.233 4.066 4.339 0.039 6 0 "[ . 1 . ]" 1
265 1 26 ALA H 1 37 LYS HG2 4.600 . 4.800 4.549 3.669 4.836 0.036 19 0 "[ . 1 . ]" 1
266 1 26 ALA HA 1 27 MET H 3.100 . 3.300 2.217 2.188 2.333 . 0 0 "[ . 1 . ]" 1
267 1 26 ALA HA 1 35 TYR H 5.000 . 5.200 4.099 3.898 4.265 . 0 0 "[ . 1 . ]" 1
268 1 26 ALA MB 1 27 MET HA 6.000 . 6.200 4.459 4.257 4.533 . 0 0 "[ . 1 . ]" 1
269 1 26 ALA MB 1 35 TYR CZ 8.000 . 8.200 3.966 3.106 4.540 . 0 0 "[ . 1 . ]" 1
270 1 26 ALA MB 1 35 TYR H 6.000 . 6.200 3.881 3.737 4.001 . 0 0 "[ . 1 . ]" 1
271 1 26 ALA N 1 35 TYR O 3.000 . 3.200 3.136 2.986 3.289 0.089 9 0 "[ . 1 . ]" 1
272 1 26 ALA O 1 35 TYR H 2.300 . 2.500 2.322 1.784 2.505 0.016 15 0 "[ . 1 . ]" 1
273 1 26 ALA O 1 35 TYR N 3.000 . 3.200 3.062 2.417 3.232 0.032 10 0 "[ . 1 . ]" 1
274 1 27 MET H 1 35 TYR CZ 7.000 . 7.200 7.102 6.208 7.245 0.045 1 0 "[ . 1 . ]" 1
275 1 27 MET HA 1 28 ASP H 3.000 . 3.200 2.401 2.371 2.449 . 0 0 "[ . 1 . ]" 1
276 1 27 MET HA 1 34 ALA HA 3.500 . 3.700 1.832 1.784 2.147 0.016 7 0 "[ . 1 . ]" 1
277 1 27 MET HA 1 35 TYR CG 7.000 . 7.200 5.291 4.908 5.693 . 0 0 "[ . 1 . ]" 1
278 1 27 MET HA 1 35 TYR H 5.000 . 5.200 3.546 3.352 3.872 . 0 0 "[ . 1 . ]" 1
279 1 27 MET QB 1 34 ALA HA 6.000 . 6.200 3.314 2.866 3.682 . 0 0 "[ . 1 . ]" 1
280 1 27 MET HB2 1 28 ASP H 5.000 . 5.200 3.698 2.752 4.369 . 0 0 "[ . 1 . ]" 1
281 1 27 MET HB3 1 28 ASP H 5.000 . 5.200 3.490 2.654 4.128 . 0 0 "[ . 1 . ]" 1
282 1 27 MET HB3 1 33 LYS H 5.000 . 5.200 4.224 2.996 5.175 . 0 0 "[ . 1 . ]" 1
283 1 28 ASP H 1 28 ASP HB2 3.400 . 3.600 2.691 2.616 2.740 . 0 0 "[ . 1 . ]" 1
284 1 28 ASP H 1 28 ASP HB3 3.300 . 3.500 3.087 3.023 3.199 . 0 0 "[ . 1 . ]" 1
285 1 28 ASP H 1 31 ILE H 4.600 . 4.800 3.868 3.768 4.006 . 0 0 "[ . 1 . ]" 1
286 1 28 ASP H 1 31 ILE HA 5.000 . 5.200 5.427 5.394 5.458 0.258 7 0 "[ . 1 . ]" 1
287 1 28 ASP H 1 31 ILE HG12 5.000 . 5.200 2.794 1.978 4.047 . 0 0 "[ . 1 . ]" 1
288 1 28 ASP H 1 32 GLU H 4.600 . 4.800 3.672 3.403 3.812 . 0 0 "[ . 1 . ]" 1
289 1 28 ASP H 1 32 GLU HA 3.300 . 3.500 3.592 3.577 3.607 0.107 8 0 "[ . 1 . ]" 1
290 1 28 ASP H 1 33 LYS H 4.000 . 4.200 1.882 1.818 1.945 . 0 0 "[ . 1 . ]" 1
291 1 28 ASP H 1 33 LYS O 2.300 . 2.500 2.403 2.221 2.496 . 0 0 "[ . 1 . ]" 1
292 1 28 ASP H 1 34 ALA HA 4.600 . 4.800 4.084 3.804 4.390 . 0 0 "[ . 1 . ]" 1
293 1 28 ASP H 1 35 TYR CG 7.000 . 7.200 5.626 5.328 5.941 . 0 0 "[ . 1 . ]" 1
294 1 28 ASP H 1 35 TYR CZ 7.000 . 7.200 6.442 5.811 7.064 . 0 0 "[ . 1 . ]" 1
295 1 28 ASP HA 1 28 ASP HB2 3.000 . 3.200 2.751 2.717 2.801 . 0 0 "[ . 1 . ]" 1
296 1 28 ASP HA 1 29 PRO HA 4.500 . 4.700 4.394 4.382 4.403 . 0 0 "[ . 1 . ]" 1
297 1 28 ASP HA 1 29 PRO HD2 3.100 . 3.300 2.925 2.868 2.966 . 0 0 "[ . 1 . ]" 1
298 1 28 ASP HA 1 29 PRO HD3 3.000 . 3.200 2.057 2.026 2.095 . 0 0 "[ . 1 . ]" 1
299 1 28 ASP HA 1 30 GLU H 5.000 . 5.200 3.882 3.842 3.940 . 0 0 "[ . 1 . ]" 1
300 1 28 ASP HA 1 31 ILE H 5.000 . 5.200 4.371 4.270 4.463 . 0 0 "[ . 1 . ]" 1
301 1 28 ASP HA 1 35 TYR CG 7.000 . 7.200 6.417 5.473 6.843 . 0 0 "[ . 1 . ]" 1
302 1 28 ASP HA 1 35 TYR CZ 5.800 . 6.000 5.877 5.432 6.022 0.022 6 0 "[ . 1 . ]" 1
303 1 28 ASP HB2 1 31 ILE H 4.700 . 4.900 3.423 3.310 3.545 . 0 0 "[ . 1 . ]" 1
304 1 28 ASP HB2 1 33 LYS H 5.000 . 5.200 3.993 3.797 4.082 . 0 0 "[ . 1 . ]" 1
305 1 28 ASP HB2 1 35 TYR CG 5.900 . 6.100 4.098 3.293 4.474 . 0 0 "[ . 1 . ]" 1
306 1 28 ASP HB2 1 35 TYR H 5.000 . 5.200 5.177 4.911 5.249 0.049 13 0 "[ . 1 . ]" 1
307 1 28 ASP HB3 1 30 GLU H 5.000 . 5.200 2.428 2.262 2.620 . 0 0 "[ . 1 . ]" 1
308 1 28 ASP HB3 1 31 ILE H 5.000 . 5.200 1.831 1.796 1.852 0.004 2 0 "[ . 1 . ]" 1
309 1 28 ASP HB3 1 32 GLU H 4.800 . 5.000 3.298 3.109 3.367 . 0 0 "[ . 1 . ]" 1
310 1 28 ASP HB3 1 32 GLU HA 5.000 . 5.200 4.831 4.786 4.875 . 0 0 "[ . 1 . ]" 1
311 1 28 ASP HB3 1 33 LYS H 3.600 . 3.800 3.855 3.801 3.915 0.115 14 0 "[ . 1 . ]" 1
312 1 28 ASP N 1 33 LYS O 3.000 . 3.200 3.133 2.948 3.234 0.034 17 0 "[ . 1 . ]" 1
313 1 28 ASP O 1 33 LYS H 2.300 . 2.500 2.620 2.592 2.651 0.151 6 0 "[ . 1 . ]" 1
314 1 28 ASP O 1 33 LYS N 3.000 . 3.200 3.259 3.229 3.278 0.078 15 0 "[ . 1 . ]" 1
315 1 29 PRO HA 1 32 GLU H 4.600 . 4.800 3.140 3.073 3.170 . 0 0 "[ . 1 . ]" 1
316 1 29 PRO HD2 1 30 GLU H 4.600 . 4.800 1.982 1.953 2.026 . 0 0 "[ . 1 . ]" 1
317 1 29 PRO HD3 1 30 GLU H 3.100 . 3.300 3.365 3.349 3.388 0.088 15 0 "[ . 1 . ]" 1
318 1 30 GLU H 1 30 GLU HB2 2.900 . 3.100 2.429 2.204 3.063 . 0 0 "[ . 1 . ]" 1
319 1 30 GLU H 1 31 ILE H 3.800 . 4.000 2.142 2.036 2.296 . 0 0 "[ . 1 . ]" 1
320 1 30 GLU H 1 31 ILE QG 6.000 . 6.200 3.630 3.145 4.049 . 0 0 "[ . 1 . ]" 1
321 1 30 GLU H 1 32 GLU H 4.100 . 4.300 3.138 3.051 3.176 . 0 0 "[ . 1 . ]" 1
322 1 30 GLU H 1 32 GLU HA 4.600 . 4.800 4.868 4.851 4.888 0.088 13 0 "[ . 1 . ]" 1
323 1 30 GLU HA 1 30 GLU HB2 2.600 . 2.800 2.784 2.673 2.947 0.147 4 0 "[ . 1 . ]" 1
324 1 30 GLU HA 1 32 GLU H 4.100 . 4.300 3.993 3.885 4.131 . 0 0 "[ . 1 . ]" 1
325 1 30 GLU HA 1 32 GLU QG 6.000 . 6.200 4.283 3.776 5.238 . 0 0 "[ . 1 . ]" 1
326 1 30 GLU HB2 1 31 ILE H 3.300 . 3.500 3.353 2.928 3.510 0.010 2 0 "[ . 1 . ]" 1
327 1 30 GLU HB3 1 31 ILE H 4.000 . 4.200 3.053 2.563 4.208 0.008 13 0 "[ . 1 . ]" 1
328 1 31 ILE H 1 31 ILE HG12 3.200 . 3.400 2.184 1.812 2.541 . 0 0 "[ . 1 . ]" 1
329 1 31 ILE H 1 31 ILE HG13 4.300 . 4.500 3.195 2.166 3.853 . 0 0 "[ . 1 . ]" 1
330 1 31 ILE H 1 32 GLU H 2.800 . 3.000 2.103 1.937 2.201 . 0 0 "[ . 1 . ]" 1
331 1 31 ILE H 1 32 GLU HA 4.500 . 4.700 4.275 4.175 4.376 . 0 0 "[ . 1 . ]" 1
332 1 31 ILE HA 1 32 GLU HB2 4.600 . 4.800 4.340 4.117 4.739 . 0 0 "[ . 1 . ]" 1
333 1 31 ILE HB 1 32 GLU H 4.500 . 4.700 4.203 3.261 4.505 . 0 0 "[ . 1 . ]" 1
334 1 31 ILE HB 1 33 LYS H 4.800 . 5.000 3.463 2.102 4.222 . 0 0 "[ . 1 . ]" 1
335 1 31 ILE QG 1 32 GLU H 6.000 . 6.200 2.963 2.747 3.394 . 0 0 "[ . 1 . ]" 1
336 1 31 ILE QG 1 33 LYS H 6.000 . 6.200 2.252 1.758 3.611 0.042 19 0 "[ . 1 . ]" 1
337 1 31 ILE HG12 1 32 GLU H 4.900 . 5.100 3.320 2.828 4.002 . 0 0 "[ . 1 . ]" 1
338 1 31 ILE HG12 1 33 LYS H 3.800 . 4.000 2.976 2.147 4.036 0.036 12 0 "[ . 1 . ]" 1
339 1 31 ILE HG13 1 33 LYS H 3.800 . 4.000 2.561 1.865 4.077 0.077 16 0 "[ . 1 . ]" 1
340 1 32 GLU H 1 32 GLU HA 2.600 . 2.800 2.366 2.335 2.378 . 0 0 "[ . 1 . ]" 1
341 1 32 GLU H 1 33 LYS H 3.100 . 3.300 2.945 2.636 3.129 . 0 0 "[ . 1 . ]" 1
342 1 32 GLU HA 1 33 LYS H 2.900 . 3.100 2.810 2.754 2.873 . 0 0 "[ . 1 . ]" 1
343 1 34 ALA H 2 1 SF4 FE1 4.000 . 4.200 4.015 3.693 4.206 0.006 7 0 "[ . 1 . ]" 1
344 1 35 TYR CG 1 36 VAL H 7.000 . 7.200 3.926 3.371 4.308 . 0 0 "[ . 1 . ]" 1
345 1 35 TYR CG 1 36 VAL MG1 8.000 . 8.200 5.675 4.475 6.251 . 0 0 "[ . 1 . ]" 1
346 1 35 TYR CG 1 37 LYS HA 6.000 . 6.200 4.740 3.765 5.636 . 0 0 "[ . 1 . ]" 1
347 1 35 TYR CZ 1 35 TYR H 6.000 . 6.200 4.991 4.646 5.635 . 0 0 "[ . 1 . ]" 1
348 1 35 TYR CZ 1 36 VAL HA 7.000 . 7.200 6.096 5.689 6.638 . 0 0 "[ . 1 . ]" 1
349 1 35 TYR CZ 1 37 LYS HA 5.200 . 5.400 4.200 2.283 5.474 0.074 19 0 "[ . 1 . ]" 1
350 1 35 TYR CZ 1 38 ASP HB2 6.600 . 6.800 6.792 6.563 6.867 0.067 6 0 "[ . 1 . ]" 1
351 1 35 TYR CZ 1 38 ASP HB3 7.000 . 7.200 7.219 7.127 7.265 0.065 9 0 "[ . 1 . ]" 1
352 1 35 TYR H 1 36 VAL HA 5.000 . 5.200 4.688 4.580 4.825 . 0 0 "[ . 1 . ]" 1
353 1 35 TYR HA 1 36 VAL H 3.200 . 3.400 2.329 2.196 2.671 . 0 0 "[ . 1 . ]" 1
354 1 35 TYR HA 1 36 VAL HB 5.000 . 5.200 4.547 4.224 5.278 0.078 6 0 "[ . 1 . ]" 1
355 1 36 VAL H 1 36 VAL HB 3.000 . 3.200 2.422 2.141 2.939 . 0 0 "[ . 1 . ]" 1
356 1 36 VAL HA 1 37 LYS H 2.600 . 2.800 2.329 2.195 2.571 . 0 0 "[ . 1 . ]" 1
357 1 36 VAL HA 1 38 ASP H 4.200 . 4.400 3.492 3.108 4.208 . 0 0 "[ . 1 . ]" 1
358 1 36 VAL HB 1 37 LYS H 5.000 . 5.200 4.583 4.321 4.669 . 0 0 "[ . 1 . ]" 1
359 1 36 VAL MG1 1 37 LYS H 6.000 . 6.200 3.559 3.259 3.913 . 0 0 "[ . 1 . ]" 1
360 1 36 VAL MG1 1 38 ASP H 6.000 . 6.200 3.658 2.293 4.501 . 0 0 "[ . 1 . ]" 1
361 1 36 VAL MG1 1 39 VAL H 6.000 . 6.200 4.159 3.603 5.011 . 0 0 "[ . 1 . ]" 1
362 1 36 VAL MG1 1 39 VAL HA 6.000 . 6.200 3.720 3.085 4.587 . 0 0 "[ . 1 . ]" 1
363 1 36 VAL MG1 1 39 VAL HB 6.000 . 6.200 4.888 4.552 5.179 . 0 0 "[ . 1 . ]" 1
364 1 37 LYS H 1 38 ASP H 2.800 . 3.000 2.395 1.967 2.840 . 0 0 "[ . 1 . ]" 1
365 1 37 LYS HA 1 37 LYS HB2 3.000 . 3.200 2.527 2.334 3.025 . 0 0 "[ . 1 . ]" 1
366 1 37 LYS HB2 1 38 ASP H 4.400 . 4.600 3.819 2.230 4.420 . 0 0 "[ . 1 . ]" 1
367 1 37 LYS HB3 1 38 ASP H 4.500 . 4.700 3.927 3.208 4.275 . 0 0 "[ . 1 . ]" 1
368 1 37 LYS QG 1 38 ASP H 6.000 . 6.200 2.622 1.854 4.619 . 0 0 "[ . 1 . ]" 1
369 1 38 ASP H 1 39 VAL H 5.000 . 5.200 3.876 3.425 4.444 . 0 0 "[ . 1 . ]" 1
370 1 38 ASP H 1 39 VAL HA 5.000 . 5.200 4.622 4.247 5.176 . 0 0 "[ . 1 . ]" 1
371 1 38 ASP H 1 39 VAL MG1 6.000 . 6.200 4.525 3.999 4.935 . 0 0 "[ . 1 . ]" 1
372 1 38 ASP H 1 41 GLY HA3 5.000 . 5.200 5.025 4.360 5.206 0.006 6 0 "[ . 1 . ]" 1
373 1 38 ASP HA 1 39 VAL H 2.800 . 3.000 2.300 2.170 2.482 . 0 0 "[ . 1 . ]" 1
374 1 38 ASP HA 1 39 VAL HA 5.000 . 5.200 4.552 4.379 4.697 . 0 0 "[ . 1 . ]" 1
375 1 38 ASP HA 1 40 GLU H 4.100 . 4.300 3.532 3.164 4.091 . 0 0 "[ . 1 . ]" 1
376 1 38 ASP HB2 1 41 GLY H 4.200 . 4.400 4.307 4.148 4.410 0.010 4 0 "[ . 1 . ]" 1
377 1 38 ASP HB3 1 41 GLY H 3.600 . 3.800 3.193 2.847 3.363 . 0 0 "[ . 1 . ]" 1
378 1 38 ASP HB3 1 41 GLY HA3 3.100 . 3.300 2.946 2.688 3.252 . 0 0 "[ . 1 . ]" 1
379 1 39 VAL H 1 39 VAL HB 4.000 . 4.200 3.619 3.578 3.666 . 0 0 "[ . 1 . ]" 1
380 1 39 VAL H 1 40 GLU H 3.000 . 3.200 2.673 2.346 2.951 . 0 0 "[ . 1 . ]" 1
381 1 39 VAL HA 1 39 VAL HB 3.000 . 3.200 2.466 2.350 2.548 . 0 0 "[ . 1 . ]" 1
382 1 39 VAL HA 1 40 GLU H 3.500 . 3.700 3.508 3.435 3.571 . 0 0 "[ . 1 . ]" 1
383 1 39 VAL HA 1 41 GLY H 4.700 . 4.900 3.771 3.632 3.941 . 0 0 "[ . 1 . ]" 1
384 1 39 VAL HB 1 40 GLU H 4.000 . 4.200 3.887 3.520 4.187 . 0 0 "[ . 1 . ]" 1
385 1 39 VAL MG1 1 40 GLU H 6.000 . 6.200 3.895 3.672 4.123 . 0 0 "[ . 1 . ]" 1
386 1 40 GLU H 1 40 GLU HG3 5.000 . 5.200 3.383 1.905 4.587 . 0 0 "[ . 1 . ]" 1
387 1 40 GLU H 1 41 GLY H 3.100 . 3.300 2.472 2.285 2.688 . 0 0 "[ . 1 . ]" 1
388 1 40 GLU H 1 41 GLY HA3 5.000 . 5.200 4.748 4.436 5.031 . 0 0 "[ . 1 . ]" 1
389 1 40 GLU H 1 42 ALA H 5.000 . 5.200 4.332 4.163 4.785 . 0 0 "[ . 1 . ]" 1
390 1 40 GLU HA 1 40 GLU HB3 2.700 . 2.900 2.643 2.348 2.914 0.014 9 0 "[ . 1 . ]" 1
391 1 40 GLU HA 1 40 GLU HG2 3.300 . 3.500 2.704 1.926 3.509 0.009 9 0 "[ . 1 . ]" 1
392 1 40 GLU HA 1 40 GLU HG3 4.000 . 4.200 2.999 2.151 4.114 . 0 0 "[ . 1 . ]" 1
393 1 40 GLU HA 1 42 ALA H 3.600 . 3.800 3.493 3.209 3.807 0.007 17 0 "[ . 1 . ]" 1
394 1 40 GLU HB2 1 41 GLY H 5.000 . 5.200 3.570 3.225 4.216 . 0 0 "[ . 1 . ]" 1
395 1 41 GLY H 1 42 ALA H 5.000 . 5.200 2.590 2.416 2.956 . 0 0 "[ . 1 . ]" 1
396 1 42 ALA HA 1 43 SER H 3.000 . 3.200 2.260 2.184 2.426 . 0 0 "[ . 1 . ]" 1
397 1 42 ALA MB 1 43 SER HA 6.000 . 6.200 4.413 4.166 4.619 . 0 0 "[ . 1 . ]" 1
398 1 42 ALA MB 1 46 GLU H 6.000 . 6.200 4.355 4.034 4.806 . 0 0 "[ . 1 . ]" 1
399 1 42 ALA MB 1 47 VAL H 6.000 . 6.200 3.188 2.655 3.721 . 0 0 "[ . 1 . ]" 1
400 1 42 ALA MB 1 47 VAL HA 6.000 . 6.200 3.187 2.766 3.613 . 0 0 "[ . 1 . ]" 1
401 1 42 ALA MB 1 47 VAL MG1 6.400 . 6.600 4.003 3.346 4.455 . 0 0 "[ . 1 . ]" 1
402 1 43 SER H 1 43 SER HB3 3.200 . 3.400 3.403 3.336 3.448 0.048 2 0 "[ . 1 . ]" 1
403 1 43 SER H 1 44 GLN H 5.000 . 5.200 4.618 4.404 4.694 . 0 0 "[ . 1 . ]" 1
404 1 43 SER H 1 46 GLU H 4.400 . 4.600 3.893 3.316 4.290 . 0 0 "[ . 1 . ]" 1
405 1 43 SER H 1 46 GLU QB 4.700 . 4.900 2.531 1.827 3.507 . 0 0 "[ . 1 . ]" 1
406 1 43 SER H 1 46 GLU HG3 4.000 . 4.200 2.693 2.129 3.419 . 0 0 "[ . 1 . ]" 1
407 1 43 SER HB2 1 44 GLN H 3.200 . 3.400 2.954 2.541 3.423 0.023 2 0 "[ . 1 . ]" 1
408 1 43 SER HB2 1 46 GLU H 3.100 . 3.300 2.862 2.285 3.322 0.022 17 0 "[ . 1 . ]" 1
409 1 43 SER HB3 1 44 GLN H 4.000 . 4.200 2.831 1.855 3.249 . 0 0 "[ . 1 . ]" 1
410 1 43 SER HB3 1 45 GLU H 3.800 . 4.000 3.778 2.836 4.013 0.013 11 0 "[ . 1 . ]" 1
411 1 43 SER O 1 47 VAL H 2.300 . 2.500 1.709 1.680 1.774 0.120 6 0 "[ . 1 . ]" 1
412 1 43 SER O 1 47 VAL N 2.300 . 2.500 2.614 2.563 2.634 0.134 5 0 "[ . 1 . ]" 1
413 1 44 GLN H 1 45 GLU H 3.300 . 3.500 2.754 2.569 2.953 . 0 0 "[ . 1 . ]" 1
414 1 44 GLN H 1 45 GLU HG2 4.800 . 5.000 4.520 3.820 5.003 0.003 4 0 "[ . 1 . ]" 1
415 1 44 GLN HA 1 46 GLU H 4.400 . 4.600 3.835 3.610 4.238 . 0 0 "[ . 1 . ]" 1
416 1 44 GLN HA 1 47 VAL H 3.900 . 4.100 3.291 3.149 3.715 . 0 0 "[ . 1 . ]" 1
417 1 44 GLN HA 1 47 VAL HB 3.100 . 3.300 2.319 1.872 2.843 . 0 0 "[ . 1 . ]" 1
418 1 44 GLN HA 1 47 VAL MG1 6.000 . 6.200 3.532 2.873 4.091 . 0 0 "[ . 1 . ]" 1
419 1 44 GLN HA 1 48 GLU H 4.600 . 4.800 3.735 3.462 3.999 . 0 0 "[ . 1 . ]" 1
420 1 44 GLN HA 1 61 TRP HH2 4.900 . 5.100 3.737 2.852 4.679 . 0 0 "[ . 1 . ]" 1
421 1 44 GLN QG 1 61 TRP HH2 6.000 . 6.200 3.386 1.918 5.484 . 0 0 "[ . 1 . ]" 1
422 1 44 GLN O 1 48 GLU H 2.300 . 2.500 1.849 1.770 2.512 0.030 8 0 "[ . 1 . ]" 1
423 1 44 GLN O 1 48 GLU N 3.000 . 3.200 2.739 2.591 3.193 . 0 0 "[ . 1 . ]" 1
424 1 45 GLU H 1 45 GLU HB2 4.000 . 4.200 2.577 2.326 3.577 . 0 0 "[ . 1 . ]" 1
425 1 45 GLU H 1 45 GLU HB3 3.800 . 4.000 3.585 2.995 3.637 . 0 0 "[ . 1 . ]" 1
426 1 45 GLU H 1 45 GLU HG2 4.100 . 4.300 2.204 1.873 2.721 . 0 0 "[ . 1 . ]" 1
427 1 45 GLU H 1 45 GLU HG3 4.800 . 5.000 3.293 2.653 3.898 . 0 0 "[ . 1 . ]" 1
428 1 45 GLU H 1 46 GLU H 3.400 . 3.600 2.577 2.295 2.719 . 0 0 "[ . 1 . ]" 1
429 1 45 GLU HA 1 46 GLU H 3.400 . 3.600 3.430 3.372 3.540 . 0 0 "[ . 1 . ]" 1
430 1 45 GLU HA 1 48 GLU H 3.900 . 4.100 3.525 3.215 3.780 . 0 0 "[ . 1 . ]" 1
431 1 45 GLU HA 1 48 GLU HB3 3.400 . 3.600 3.475 3.187 3.779 0.179 13 0 "[ . 1 . ]" 1
432 1 45 GLU HA 1 48 GLU HG3 5.000 . 5.200 4.049 2.462 5.058 . 0 0 "[ . 1 . ]" 1
433 1 45 GLU HA 1 49 GLU H 4.300 . 4.500 3.724 3.116 4.003 . 0 0 "[ . 1 . ]" 1
434 1 45 GLU HB3 1 46 GLU H 4.100 . 4.300 4.081 3.839 4.361 0.061 8 0 "[ . 1 . ]" 1
435 1 45 GLU HB3 1 49 GLU H 4.800 . 5.000 4.924 4.735 5.062 0.062 8 0 "[ . 1 . ]" 1
436 1 45 GLU O 1 49 GLU H 2.300 . 2.500 2.309 2.204 2.409 . 0 0 "[ . 1 . ]" 1
437 1 45 GLU O 1 49 GLU N 3.000 . 3.200 3.227 3.038 3.293 0.093 12 0 "[ . 1 . ]" 1
438 1 46 GLU H 1 46 GLU HG2 4.000 . 4.200 3.084 2.468 3.382 . 0 0 "[ . 1 . ]" 1
439 1 46 GLU H 1 46 GLU HG3 3.200 . 3.400 2.523 2.173 3.424 0.023 7 0 "[ . 1 . ]" 1
440 1 46 GLU H 1 47 VAL H 3.100 . 3.300 2.160 2.006 2.684 . 0 0 "[ . 1 . ]" 1
441 1 46 GLU H 1 47 VAL HB 4.800 . 5.000 4.066 3.926 4.437 . 0 0 "[ . 1 . ]" 1
442 1 46 GLU H 1 47 VAL MG1 6.000 . 6.200 5.231 5.084 5.274 . 0 0 "[ . 1 . ]" 1
443 1 46 GLU HA 1 46 GLU HG3 3.300 . 3.500 3.396 3.226 3.535 0.035 14 0 "[ . 1 . ]" 1
444 1 46 GLU HB2 1 47 VAL H 4.000 . 4.200 2.613 2.164 4.052 . 0 0 "[ . 1 . ]" 1
445 1 46 GLU HB3 1 47 VAL H 3.400 . 3.600 3.618 3.463 3.656 0.056 6 0 "[ . 1 . ]" 1
446 1 46 GLU HG2 1 47 VAL H 5.000 . 5.200 4.214 2.361 4.668 . 0 0 "[ . 1 . ]" 1
447 1 46 GLU HG3 1 47 VAL H 3.600 . 3.800 3.610 2.454 3.834 0.034 8 0 "[ . 1 . ]" 1
448 1 46 GLU O 1 50 ALA H 2.300 . 2.500 1.894 1.779 2.305 0.021 4 0 "[ . 1 . ]" 1
449 1 46 GLU O 1 50 ALA N 3.000 . 3.200 2.836 2.711 3.203 0.003 7 0 "[ . 1 . ]" 1
450 1 47 VAL H 1 47 VAL HB 2.700 . 2.900 2.359 2.076 2.859 . 0 0 "[ . 1 . ]" 1
451 1 47 VAL H 1 47 VAL MG1 4.500 . 4.700 3.661 3.419 3.719 . 0 0 "[ . 1 . ]" 1
452 1 47 VAL H 1 48 GLU H 3.400 . 3.600 2.643 2.509 2.781 . 0 0 "[ . 1 . ]" 1
453 1 47 VAL HA 1 50 ALA H 4.100 . 4.300 3.853 3.555 4.075 . 0 0 "[ . 1 . ]" 1
454 1 47 VAL HA 1 50 ALA MB 6.000 . 6.200 2.840 2.411 3.295 . 0 0 "[ . 1 . ]" 1
455 1 47 VAL HB 1 48 GLU H 3.100 . 3.300 2.744 2.343 3.282 . 0 0 "[ . 1 . ]" 1
456 1 47 VAL HB 1 61 TRP HH2 4.700 . 4.900 4.001 3.172 4.861 . 0 0 "[ . 1 . ]" 1
457 1 47 VAL HB 1 61 TRP HZ2 5.000 . 5.200 5.049 4.129 5.217 0.017 14 0 "[ . 1 . ]" 1
458 1 47 VAL MG1 1 48 GLU H 6.000 . 6.200 3.247 2.626 3.881 . 0 0 "[ . 1 . ]" 1
459 1 47 VAL MG1 1 48 GLU HA 6.000 . 6.200 3.413 2.978 4.298 . 0 0 "[ . 1 . ]" 1
460 1 47 VAL MG1 1 51 MET ME 7.000 . 7.200 2.956 1.735 3.905 0.065 16 0 "[ . 1 . ]" 1
461 1 47 VAL MG1 1 51 MET QG 7.000 . 7.200 4.509 3.676 5.229 . 0 0 "[ . 1 . ]" 1
462 1 47 VAL MG1 1 61 TRP HH2 5.900 . 6.100 3.395 1.855 4.344 . 0 0 "[ . 1 . ]" 1
463 1 47 VAL MG1 1 61 TRP HZ2 6.000 . 6.200 3.659 2.569 4.701 . 0 0 "[ . 1 . ]" 1
464 1 48 GLU H 1 48 GLU HB3 2.800 . 3.000 3.109 2.853 3.163 0.163 15 0 "[ . 1 . ]" 1
465 1 48 GLU H 1 48 GLU HG2 3.700 . 3.900 3.669 1.819 3.944 0.044 15 0 "[ . 1 . ]" 1
466 1 48 GLU H 1 48 GLU HG3 3.300 . 3.500 3.343 1.789 3.558 0.058 16 0 "[ . 1 . ]" 1
467 1 48 GLU H 1 49 GLU H 3.300 . 3.500 2.781 2.571 3.037 . 0 0 "[ . 1 . ]" 1
468 1 48 GLU H 1 50 ALA H 4.600 . 4.800 4.043 3.793 4.277 . 0 0 "[ . 1 . ]" 1
469 1 48 GLU HA 1 48 GLU HG2 3.600 . 3.800 2.247 1.942 3.892 0.092 13 0 "[ . 1 . ]" 1
470 1 48 GLU HA 1 48 GLU HG3 4.000 . 4.200 3.065 2.947 3.849 . 0 0 "[ . 1 . ]" 1
471 1 48 GLU HA 1 50 ALA H 5.000 . 5.200 4.480 4.029 4.745 . 0 0 "[ . 1 . ]" 1
472 1 48 GLU HA 1 51 MET H 3.400 . 3.600 3.248 2.993 3.433 . 0 0 "[ . 1 . ]" 1
473 1 48 GLU HA 1 51 MET QB 3.900 . 4.100 2.291 1.921 2.751 . 0 0 "[ . 1 . ]" 1
474 1 48 GLU HA 1 52 ASP H 4.600 . 4.800 4.379 3.928 4.758 . 0 0 "[ . 1 . ]" 1
475 1 48 GLU HA 1 61 TRP HZ2 5.000 . 5.200 3.407 2.530 4.407 . 0 0 "[ . 1 . ]" 1
476 1 48 GLU HB2 1 49 GLU H 2.900 . 3.100 2.885 2.691 3.216 0.116 7 0 "[ . 1 . ]" 1
477 1 48 GLU HB3 1 49 GLU H 4.400 . 4.600 2.624 2.033 3.850 . 0 0 "[ . 1 . ]" 1
478 1 48 GLU HG2 1 61 TRP HZ2 3.500 . 3.700 2.793 1.854 3.700 0.000 7 0 "[ . 1 . ]" 1
479 1 48 GLU HG3 1 61 TRP HZ2 4.200 . 4.400 2.957 2.040 4.449 0.049 7 0 "[ . 1 . ]" 1
480 1 48 GLU O 1 51 MET H 2.300 . 2.500 1.897 1.787 2.132 0.013 16 0 "[ . 1 . ]" 1
481 1 48 GLU O 1 51 MET N 3.000 . 3.200 2.548 2.421 2.692 . 0 0 "[ . 1 . ]" 1
482 1 48 GLU O 1 52 ASP H 2.300 . 2.500 2.116 1.829 2.424 . 0 0 "[ . 1 . ]" 1
483 1 48 GLU O 1 52 ASP N 3.000 . 3.200 2.908 2.648 3.178 . 0 0 "[ . 1 . ]" 1
484 1 49 GLU H 1 50 ALA H 3.100 . 3.300 2.896 2.766 3.028 . 0 0 "[ . 1 . ]" 1
485 1 49 GLU H 1 51 MET H 4.700 . 4.900 3.982 3.753 4.265 . 0 0 "[ . 1 . ]" 1
486 1 49 GLU HA 1 52 ASP H 3.300 . 3.500 3.400 3.154 3.517 0.017 19 0 "[ . 1 . ]" 1
487 1 49 GLU HA 1 52 ASP HB2 3.700 . 3.900 3.406 2.732 3.904 0.004 9 0 "[ . 1 . ]" 1
488 1 49 GLU HA 1 52 ASP HB3 3.800 . 4.000 3.409 2.413 4.005 0.005 4 0 "[ . 1 . ]" 1
489 1 49 GLU O 1 53 THR H 2.300 . 2.500 2.339 2.089 2.515 0.015 12 0 "[ . 1 . ]" 1
490 1 49 GLU O 1 53 THR N 3.000 . 3.200 3.131 2.962 3.241 0.041 13 0 "[ . 1 . ]" 1
491 1 50 ALA H 1 51 MET H 2.700 . 2.900 2.594 2.456 2.764 . 0 0 "[ . 1 . ]" 1
492 1 50 ALA H 1 53 THR H 4.800 . 5.000 4.919 4.689 5.019 0.019 11 0 "[ . 1 . ]" 1
493 1 50 ALA HA 1 53 THR H 4.400 . 4.600 3.406 2.876 3.736 . 0 0 "[ . 1 . ]" 1
494 1 50 ALA HA 1 53 THR HG1 6.000 . 6.200 3.313 1.953 5.562 . 0 0 "[ . 1 . ]" 1
495 1 50 ALA MB 1 51 MET HA 6.000 . 6.200 3.828 3.687 3.911 . 0 0 "[ . 1 . ]" 1
496 1 51 MET H 1 51 MET HB2 2.600 . 2.800 2.481 2.123 2.801 0.001 17 0 "[ . 1 . ]" 1
497 1 51 MET H 1 51 MET HB3 2.800 . 3.000 2.676 2.325 3.068 0.068 16 0 "[ . 1 . ]" 1
498 1 51 MET H 1 52 ASP H 3.000 . 3.200 2.533 2.289 2.855 . 0 0 "[ . 1 . ]" 1
499 1 51 MET HA 1 53 THR H 5.000 . 5.200 4.144 3.767 4.612 . 0 0 "[ . 1 . ]" 1
500 1 51 MET HA 1 59 ILE QG 6.000 . 6.200 4.361 2.866 5.084 . 0 0 "[ . 1 . ]" 1
501 1 51 MET HB2 1 52 ASP H 5.000 . 5.200 3.852 3.139 4.319 . 0 0 "[ . 1 . ]" 1
502 1 51 MET HB2 1 59 ILE QG 6.000 . 6.200 4.118 2.445 4.868 . 0 0 "[ . 1 . ]" 1
503 1 51 MET HB3 1 52 ASP H 3.100 . 3.300 2.876 2.111 3.254 . 0 0 "[ . 1 . ]" 1
504 1 51 MET ME 1 60 HIS H 6.000 . 6.200 3.715 3.096 4.427 . 0 0 "[ . 1 . ]" 1
505 1 51 MET ME 1 61 TRP H 6.000 . 6.200 3.702 2.449 4.739 . 0 0 "[ . 1 . ]" 1
506 1 51 MET ME 1 61 TRP HD1 6.000 . 6.200 3.075 2.012 5.027 . 0 0 "[ . 1 . ]" 1
507 1 51 MET ME 1 61 TRP HE1 6.000 . 6.200 2.369 1.826 4.590 . 0 0 "[ . 1 . ]" 1
508 1 51 MET ME 1 61 TRP HZ2 6.000 . 6.200 3.101 2.288 4.426 . 0 0 "[ . 1 . ]" 1
509 1 51 MET QG 1 59 ILE QG 7.000 . 7.200 3.015 2.074 4.522 . 0 0 "[ . 1 . ]" 1
510 1 52 ASP H 1 52 ASP HB2 4.100 . 4.300 2.471 2.086 2.887 . 0 0 "[ . 1 . ]" 1
511 1 52 ASP H 1 52 ASP HB3 3.100 . 3.300 2.823 2.460 3.261 . 0 0 "[ . 1 . ]" 1
512 1 52 ASP H 1 53 THR H 3.600 . 3.800 2.423 2.067 2.848 . 0 0 "[ . 1 . ]" 1
513 1 52 ASP HB2 1 53 THR H 5.000 . 5.200 3.874 3.365 4.275 . 0 0 "[ . 1 . ]" 1
514 1 52 ASP HB3 1 53 THR H 4.900 . 5.100 3.074 2.497 3.456 . 0 0 "[ . 1 . ]" 1
515 1 54 CYS HB2 1 57 GLN HA 3.000 . 3.200 3.151 2.870 3.250 0.050 15 0 "[ . 1 . ]" 1
516 1 54 CYS HB2 1 57 GLN QG 4.000 . 4.200 3.613 3.185 3.850 . 0 0 "[ . 1 . ]" 1
517 1 54 CYS HB2 1 59 ILE HB 5.000 . 5.200 5.143 4.859 5.231 0.031 1 0 "[ . 1 . ]" 1
518 1 55 PRO HA 1 57 GLN H 5.000 . 5.200 4.246 3.614 4.892 . 0 0 "[ . 1 . ]" 1
519 1 58 CYS HA 1 60 HIS HD1 5.000 . 5.200 4.774 3.700 5.192 . 0 0 "[ . 1 . ]" 1
520 1 59 ILE HA 1 60 HIS H 3.500 . 3.700 2.316 2.189 2.428 . 0 0 "[ . 1 . ]" 1
521 1 59 ILE QG 1 60 HIS H 6.000 . 6.200 2.308 1.787 3.622 0.013 10 0 "[ . 1 . ]" 1
522 1 60 HIS H 1 60 HIS HD1 5.000 . 5.200 3.292 2.333 4.558 . 0 0 "[ . 1 . ]" 1
523 1 60 HIS HA 1 61 TRP H 3.500 . 3.700 2.521 2.199 3.522 . 0 0 "[ . 1 . ]" 1
524 1 60 HIS HB2 1 61 TRP H 5.000 . 5.200 3.250 2.059 4.258 . 0 0 "[ . 1 . ]" 1
525 1 60 HIS HB3 1 61 TRP H 3.200 . 3.400 2.924 1.871 3.428 0.028 16 0 "[ . 1 . ]" 1
526 1 61 TRP H 1 61 TRP HD1 5.000 . 5.200 2.407 1.860 4.995 . 0 0 "[ . 1 . ]" 1
527 1 61 TRP HA 1 61 TRP HE3 3.400 . 3.600 3.401 1.945 3.622 0.022 18 0 "[ . 1 . ]" 1
528 1 61 TRP HA 1 62 GLU H 3.000 . 3.200 2.523 2.340 2.731 . 0 0 "[ . 1 . ]" 1
529 1 61 TRP HB2 1 61 TRP HD1 3.500 . 3.700 2.791 2.705 3.132 . 0 0 "[ . 1 . ]" 1
530 1 61 TRP HB2 1 61 TRP HE3 3.700 . 3.900 3.956 3.664 4.008 0.108 7 0 "[ . 1 . ]" 1
531 1 61 TRP HB2 1 62 GLU H 5.000 . 5.200 3.468 3.131 3.799 . 0 0 "[ . 1 . ]" 1
532 1 61 TRP HB3 1 62 GLU H 3.600 . 3.800 2.308 1.902 2.718 . 0 0 "[ . 1 . ]" 1
533 1 61 TRP HB3 1 63 ASP H 5.000 . 5.200 4.780 4.181 5.202 0.002 18 0 "[ . 1 . ]" 1
534 1 61 TRP HE3 1 62 GLU H 5.000 . 5.200 3.626 2.980 4.640 . 0 0 "[ . 1 . ]" 1
535 1 62 GLU H 1 62 GLU HB2 3.400 . 3.600 3.435 3.231 3.558 . 0 0 "[ . 1 . ]" 1
536 1 62 GLU H 1 62 GLU HB3 4.200 . 4.400 2.679 2.483 2.926 . 0 0 "[ . 1 . ]" 1
537 1 62 GLU H 1 62 GLU HG2 5.000 . 5.200 4.442 4.135 5.028 . 0 0 "[ . 1 . ]" 1
538 1 62 GLU H 1 62 GLU HG3 5.000 . 5.200 4.497 4.005 4.964 . 0 0 "[ . 1 . ]" 1
539 1 62 GLU HA 1 62 GLU HG3 3.500 . 3.700 2.727 2.476 3.399 . 0 0 "[ . 1 . ]" 1
540 1 62 GLU HA 1 63 ASP H 3.400 . 3.600 2.249 2.185 2.399 . 0 0 "[ . 1 . ]" 1
541 1 62 GLU HB2 1 63 ASP H 5.000 . 5.200 4.426 4.252 4.618 . 0 0 "[ . 1 . ]" 1
542 1 62 GLU HB3 1 63 ASP H 5.000 . 5.200 4.516 4.382 4.605 . 0 0 "[ . 1 . ]" 1
543 1 63 ASP H 1 64 GLU H 5.000 . 5.200 3.325 2.136 4.693 . 0 0 "[ . 1 . ]" 1
544 1 63 ASP H 1 64 GLU QB 6.000 . 6.200 4.753 3.958 5.378 . 0 0 "[ . 1 . ]" 1
545 2 1 SF4 FE1 2 1 SF4 FE2 2.660 . 2.860 2.903 2.898 2.912 0.052 2 0 "[ . 1 . ]" 1
546 2 1 SF4 FE1 2 1 SF4 FE3 2.660 . 2.860 2.607 2.591 2.621 . 0 0 "[ . 1 . ]" 1
547 2 1 SF4 FE1 2 1 SF4 FE4 2.660 . 2.860 2.755 2.734 2.773 . 0 0 "[ . 1 . ]" 1
548 2 1 SF4 FE1 2 1 SF4 S2 2.320 . 2.520 2.009 2.008 2.011 . 0 0 "[ . 1 . ]" 1
549 2 1 SF4 FE1 2 1 SF4 S3 2.320 . 2.520 2.459 2.457 2.460 . 0 0 "[ . 1 . ]" 1
550 2 1 SF4 FE2 2 1 SF4 FE3 2.660 . 2.860 2.833 2.820 2.842 . 0 0 "[ . 1 . ]" 1
551 2 1 SF4 FE2 2 1 SF4 FE4 2.660 . 2.860 2.897 2.892 2.905 0.045 16 0 "[ . 1 . ]" 1
552 2 1 SF4 FE2 2 1 SF4 S3 2.320 . 2.520 2.449 2.446 2.450 . 0 0 "[ . 1 . ]" 1
553 2 1 SF4 FE2 2 1 SF4 S4 2.320 . 2.520 2.510 2.508 2.512 . 0 0 "[ . 1 . ]" 1
554 2 1 SF4 FE3 2 1 SF4 FE4 2.660 . 2.860 2.978 2.972 2.984 0.124 14 0 "[ . 1 . ]" 1
555 2 1 SF4 FE3 2 1 SF4 S1 2.320 . 2.520 2.476 2.475 2.478 . 0 0 "[ . 1 . ]" 1
556 2 1 SF4 FE3 2 1 SF4 S4 2.320 . 2.520 2.209 2.208 2.211 . 0 0 "[ . 1 . ]" 1
557 2 1 SF4 FE4 2 1 SF4 S1 2.320 . 2.520 2.534 2.532 2.535 0.015 2 0 "[ . 1 . ]" 1
558 2 1 SF4 FE4 2 1 SF4 S2 2.320 . 2.520 2.467 2.465 2.469 . 0 0 "[ . 1 . ]" 1
559 2 1 SF4 S1 2 1 SF4 S2 3.510 . 3.710 3.783 3.780 3.790 0.080 8 0 "[ . 1 . ]" 1
560 2 1 SF4 S1 2 1 SF4 S3 3.510 . 3.710 3.671 3.652 3.678 . 0 0 "[ . 1 . ]" 1
561 2 1 SF4 S1 2 1 SF4 S4 3.510 . 3.710 3.729 3.720 3.741 0.031 16 0 "[ . 1 . ]" 1
562 2 1 SF4 S2 2 1 SF4 S3 3.510 . 3.710 3.634 3.619 3.653 . 0 0 "[ . 1 . ]" 1
563 2 1 SF4 S2 2 1 SF4 S4 3.510 . 3.710 3.360 3.342 3.377 . 0 0 "[ . 1 . ]" 1
564 2 1 SF4 S3 2 1 SF4 S4 3.510 . 3.710 3.774 3.767 3.779 0.069 8 0 "[ . 1 . ]" 1
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