NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404534 |
1x3p   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x3p
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 490
_Distance_constraint_stats_list.Viol_count 1142
_Distance_constraint_stats_list.Viol_total 3087.844
_Distance_constraint_stats_list.Viol_max 2.673
_Distance_constraint_stats_list.Viol_rms 0.1220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1423
_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 VAL 1.334 0.214 5 0 "[ . 1 . ]"
1 3 ALA 1.340 0.214 5 0 "[ . 1 . ]"
1 4 GLU 0.215 0.108 18 0 "[ . 1 . ]"
1 5 SER 0.939 0.310 18 0 "[ . 1 . ]"
1 6 VAL 4.732 1.896 18 1 "[ . 1 . + ]"
1 7 ILE 3.326 0.224 3 0 "[ . 1 . ]"
1 8 GLY 0.796 0.114 18 0 "[ . 1 . ]"
1 9 LYS 8.635 1.028 17 2 "[ . -1 . + ]"
1 10 ARG 11.986 1.702 13 2 "[ . 1 + - ]"
1 11 VAL 9.514 1.391 19 1 "[ . 1 . +]"
1 12 GLY 3.969 0.195 15 0 "[ . 1 . ]"
1 13 ASP 0.435 0.249 13 0 "[ . 1 . ]"
1 14 ASP 2.418 1.391 19 1 "[ . 1 . +]"
1 15 GLY 1.645 0.249 13 0 "[ . 1 . ]"
1 16 LYS 1.436 0.153 13 0 "[ . 1 . ]"
1 17 THR 52.298 2.673 15 19 [**************+*-**]
1 18 ILE 6.730 0.230 5 0 "[ . 1 . ]"
1 19 GLU 13.805 0.415 15 0 "[ . 1 . ]"
1 20 TYR 13.580 1.702 13 3 "[ . 1 + * - ]"
1 21 LEU 2.972 0.224 3 0 "[ . 1 . ]"
1 22 VAL 2.942 0.182 9 0 "[ . 1 . ]"
1 23 LYS 2.254 0.144 9 0 "[ . 1 . ]"
1 24 TRP 7.041 0.280 18 0 "[ . 1 . ]"
1 25 THR 3.419 1.896 18 1 "[ . 1 . + ]"
1 27 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 29 ASP 0.420 0.064 17 0 "[ . 1 . ]"
1 30 ALA 10.206 0.454 6 0 "[ . 1 . ]"
1 31 THR 8.483 0.454 6 0 "[ . 1 . ]"
1 32 TRP 4.109 0.182 9 0 "[ . 1 . ]"
1 33 GLU 2.841 0.230 16 0 "[ . 1 . ]"
1 35 GLN 6.163 1.157 17 2 "[ . 1 .-+ ]"
1 36 ASP 0.935 0.145 19 0 "[ . 1 . ]"
1 37 ASN 1.653 0.185 12 0 "[ . 1 . ]"
1 38 VAL 1.063 0.115 11 0 "[ . 1 . ]"
1 39 ASP 3.358 0.199 7 0 "[ . 1 . ]"
1 40 SER 4.936 0.217 19 0 "[ . 1 . ]"
1 41 THR 2.113 0.150 8 0 "[ . 1 . ]"
1 42 LEU 4.114 0.920 18 1 "[ . 1 . + ]"
1 43 VAL 2.169 0.217 19 0 "[ . 1 . ]"
1 44 LEU 3.221 0.463 13 0 "[ . 1 . ]"
1 45 LEU 6.898 0.317 17 0 "[ . 1 . ]"
1 46 TYR 4.993 0.239 4 0 "[ . 1 . ]"
1 47 GLN 49.520 2.673 15 19 [**************+*-**]
1 48 GLN 0.012 0.012 19 0 "[ . 1 . ]"
1 49 GLN 11.341 1.028 17 2 "[ . -1 . + ]"
1 50 GLN 16.592 0.275 15 0 "[ . 1 . ]"
1 52 MET 0.397 0.185 12 0 "[ . 1 . ]"
1 54 GLU 1.849 0.529 16 1 "[ . 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 VAL H 1 2 VAL HA 3.000 . 4.100 2.804 2.279 2.943 . 0 0 "[ . 1 . ]" 1
2 1 2 VAL H 1 2 VAL HB 3.500 . 4.500 3.537 2.219 3.974 . 0 0 "[ . 1 . ]" 1
3 1 2 VAL H 1 2 VAL QG 4.000 . 5.500 2.430 2.137 2.937 . 0 0 "[ . 1 . ]" 1
4 1 2 VAL H 1 3 ALA H 4.200 . 5.500 4.114 2.155 4.630 . 0 0 "[ . 1 . ]" 1
5 1 2 VAL H 1 24 TRP QB 6.500 . 7.500 6.355 3.694 7.509 0.009 17 0 "[ . 1 . ]" 1
6 1 2 VAL H 1 24 TRP HH2 6.500 . 7.000 5.656 3.160 7.001 0.001 18 0 "[ . 1 . ]" 1
7 1 2 VAL HA 1 2 VAL HB 2.600 . 3.400 2.596 2.393 3.022 . 0 0 "[ . 1 . ]" 1
8 1 2 VAL HA 1 3 ALA H 2.400 . 2.800 2.416 2.140 2.966 0.166 19 0 "[ . 1 . ]" 1
9 1 2 VAL HB 1 3 ALA H 2.800 . 3.600 3.261 1.987 3.814 0.214 5 0 "[ . 1 . ]" 1
10 1 3 ALA H 1 3 ALA MB 3.000 . 4.000 2.542 2.279 2.995 . 0 0 "[ . 1 . ]" 1
11 1 3 ALA H 1 4 GLU H 5.000 . 5.500 3.991 2.598 4.500 . 0 0 "[ . 1 . ]" 1
12 1 3 ALA H 1 24 TRP HZ3 5.500 . 6.000 4.451 1.932 5.412 . 0 0 "[ . 1 . ]" 1
13 1 3 ALA HA 1 4 GLU H 2.200 . 2.500 2.218 2.133 2.524 0.024 18 0 "[ . 1 . ]" 1
14 1 3 ALA HA 1 4 GLU QB 5.100 . 6.000 4.452 4.041 4.783 . 0 0 "[ . 1 . ]" 1
15 1 3 ALA MB 1 4 GLU H 4.000 . 5.000 3.332 2.856 3.702 . 0 0 "[ . 1 . ]" 1
16 1 4 GLU H 1 4 GLU HA 3.000 . 4.000 2.933 2.905 2.947 . 0 0 "[ . 1 . ]" 1
17 1 4 GLU H 1 4 GLU QB 2.500 . 3.300 2.625 2.463 2.805 . 0 0 "[ . 1 . ]" 1
18 1 4 GLU H 1 5 SER H 2.300 . 2.900 2.430 2.160 2.675 . 0 0 "[ . 1 . ]" 1
19 1 4 GLU H 1 24 TRP HA 5.500 . 6.000 3.947 2.959 4.444 . 0 0 "[ . 1 . ]" 1
20 1 4 GLU H 1 25 THR H 3.200 . 4.500 4.322 3.642 4.531 0.031 2 0 "[ . 1 . ]" 1
21 1 4 GLU HA 1 4 GLU QB 2.900 . 3.500 2.365 2.307 2.400 . 0 0 "[ . 1 . ]" 1
22 1 4 GLU HA 1 5 SER H 3.300 . 4.500 3.574 3.546 3.588 . 0 0 "[ . 1 . ]" 1
23 1 4 GLU QB 1 4 GLU HG2 4.100 . 5.000 2.318 2.158 2.371 . 0 0 "[ . 1 . ]" 1
24 1 4 GLU QB 1 5 SER H 2.300 . 2.300 2.102 1.921 2.408 0.108 18 0 "[ . 1 . ]" 1
25 1 4 GLU QB 1 25 THR HA 5.400 . 6.000 4.105 1.928 4.856 . 0 0 "[ . 1 . ]" 1
26 1 4 GLU QG 1 5 SER H 5.000 . 6.000 3.789 3.014 4.075 . 0 0 "[ . 1 . ]" 1
27 1 4 GLU HG2 1 5 SER H 5.100 . 6.000 4.337 3.873 4.866 . 0 0 "[ . 1 . ]" 1
28 1 5 SER H 1 5 SER HA 2.700 . 3.600 2.935 2.906 2.949 . 0 0 "[ . 1 . ]" 1
29 1 5 SER H 1 6 VAL H 3.400 . 4.900 4.129 2.839 4.508 . 0 0 "[ . 1 . ]" 1
30 1 5 SER H 1 23 LYS H 6.000 . 6.500 6.397 4.982 6.575 0.075 14 0 "[ . 1 . ]" 1
31 1 5 SER H 1 24 TRP HA 6.000 . 6.500 2.753 2.393 3.390 . 0 0 "[ . 1 . ]" 1
32 1 5 SER H 1 24 TRP HH2 6.000 . 6.500 6.093 5.642 6.669 0.169 18 0 "[ . 1 . ]" 1
33 1 5 SER H 1 24 TRP HZ3 6.000 . 6.500 3.818 3.340 4.775 . 0 0 "[ . 1 . ]" 1
34 1 5 SER HA 1 6 VAL H 4.000 . 4.500 2.258 2.118 2.650 . 0 0 "[ . 1 . ]" 1
35 1 5 SER HA 1 25 THR HB 3.000 . 6.000 4.323 4.049 6.310 0.310 18 0 "[ . 1 . ]" 1
36 1 5 SER QB 1 6 VAL H 4.000 . 5.000 3.462 2.529 4.033 . 0 0 "[ . 1 . ]" 1
37 1 6 VAL H 1 6 VAL HB 4.000 . 5.000 3.685 2.857 3.967 . 0 0 "[ . 1 . ]" 1
38 1 6 VAL H 1 7 ILE H 5.000 . 5.500 3.842 3.589 4.408 . 0 0 "[ . 1 . ]" 1
39 1 6 VAL H 1 25 THR HB 2.500 . 6.000 6.130 5.940 7.896 1.896 18 1 "[ . 1 . + ]" 1
40 1 6 VAL H 1 46 TYR QB 6.500 . 7.500 7.283 6.985 7.585 0.085 19 0 "[ . 1 . ]" 1
41 1 6 VAL HA 1 6 VAL HB 2.200 . 2.800 2.621 2.409 2.976 0.176 17 0 "[ . 1 . ]" 1
42 1 6 VAL HA 1 7 ILE H 3.100 . 4.300 2.240 2.149 2.551 . 0 0 "[ . 1 . ]" 1
43 1 6 VAL HA 1 7 ILE HA 4.300 . 6.000 4.378 4.354 4.400 . 0 0 "[ . 1 . ]" 1
44 1 6 VAL HA 1 23 LYS H 5.500 . 6.000 2.752 2.359 3.650 . 0 0 "[ . 1 . ]" 1
45 1 6 VAL HA 1 23 LYS HB2 3.800 . 6.000 4.280 3.447 5.171 . 0 0 "[ . 1 . ]" 1
46 1 6 VAL HA 1 24 TRP HA 4.000 . 4.500 4.451 4.219 4.780 0.280 18 0 "[ . 1 . ]" 1
47 1 6 VAL HB 1 7 ILE H 4.300 . 6.000 3.936 3.557 4.384 . 0 0 "[ . 1 . ]" 1
48 1 6 VAL HB 1 8 GLY H 4.300 . 6.000 4.749 4.208 5.544 . 0 0 "[ . 1 . ]" 1
49 1 6 VAL HB 1 42 LEU HA 3.700 . 5.400 5.381 4.999 5.499 0.099 19 0 "[ . 1 . ]" 1
50 1 6 VAL HB 1 42 LEU HB2 3.500 . 5.000 4.605 3.415 5.314 0.314 13 0 "[ . 1 . ]" 1
51 1 6 VAL HB 1 43 VAL H 5.500 . 6.000 5.822 5.277 6.077 0.077 15 0 "[ . 1 . ]" 1
52 1 7 ILE H 1 7 ILE HA 2.800 . 3.800 2.890 2.873 2.900 . 0 0 "[ . 1 . ]" 1
53 1 7 ILE H 1 8 GLY H 2.500 . 3.100 2.943 2.056 3.214 0.114 18 0 "[ . 1 . ]" 1
54 1 7 ILE H 1 21 LEU H 6.000 . 6.500 6.650 6.562 6.724 0.224 3 0 "[ . 1 . ]" 1
55 1 7 ILE H 1 22 VAL HA 4.000 . 4.500 3.887 3.531 4.188 . 0 0 "[ . 1 . ]" 1
56 1 7 ILE HA 1 8 GLY H 3.000 . 4.000 2.540 2.348 2.988 . 0 0 "[ . 1 . ]" 1
57 1 7 ILE HA 1 46 TYR HD1 4.000 . 6.000 4.999 3.671 6.182 0.182 19 0 "[ . 1 . ]" 1
58 1 7 ILE HA 1 46 TYR HE1 4.500 . 6.500 4.612 3.502 5.633 . 0 0 "[ . 1 . ]" 1
59 1 8 GLY H 1 8 GLY HA2 . . 2.900 2.927 2.912 2.947 0.047 17 0 "[ . 1 . ]" 1
60 1 8 GLY H 1 8 GLY HA3 2.900 . 3.800 2.583 2.360 2.670 . 0 0 "[ . 1 . ]" 1
61 1 8 GLY H 1 9 LYS H 4.600 . 6.000 4.058 3.695 4.368 . 0 0 "[ . 1 . ]" 1
62 1 8 GLY QA 1 9 LYS H 4.000 . 4.500 2.086 2.027 2.248 . 0 0 "[ . 1 . ]" 1
63 1 8 GLY QA 1 21 LEU H 6.000 . 6.500 3.612 3.422 3.760 . 0 0 "[ . 1 . ]" 1
64 1 8 GLY QA 1 22 VAL HA 4.000 . 5.000 3.931 3.789 4.242 . 0 0 "[ . 1 . ]" 1
65 1 8 GLY HA2 1 9 LYS H 2.200 . 2.800 2.110 2.051 2.277 . 0 0 "[ . 1 . ]" 1
66 1 8 GLY HA3 1 9 LYS H 4.600 . 5.600 3.278 3.150 3.483 . 0 0 "[ . 1 . ]" 1
67 1 9 LYS H 1 9 LYS QD 3.700 . 5.000 4.348 3.297 4.856 . 0 0 "[ . 1 . ]" 1
68 1 9 LYS H 1 10 ARG H 5.000 . 5.500 4.346 4.269 4.400 . 0 0 "[ . 1 . ]" 1
69 1 9 LYS H 1 19 GLU H 5.500 . 6.000 6.323 6.244 6.415 0.415 15 0 "[ . 1 . ]" 1
70 1 9 LYS H 1 20 TYR HA 5.500 . 6.000 5.519 5.276 5.818 . 0 0 "[ . 1 . ]" 1
71 1 9 LYS HA 1 9 LYS HB3 2.500 . 3.000 2.453 2.251 2.980 . 0 0 "[ . 1 . ]" 1
72 1 9 LYS HA 1 10 ARG H 2.000 . 2.500 2.494 2.398 2.563 0.063 6 0 "[ . 1 . ]" 1
73 1 9 LYS HA 1 20 TYR HA 4.500 . 5.000 3.016 2.636 3.598 . 0 0 "[ . 1 . ]" 1
74 1 9 LYS HB3 1 10 ARG H 2.700 . 3.600 2.871 2.581 3.479 . 0 0 "[ . 1 . ]" 1
75 1 9 LYS HB3 1 49 GLN QB 3.300 . 6.000 4.633 3.982 5.545 . 0 0 "[ . 1 . ]" 1
76 1 9 LYS QD 1 17 THR HG1 4.100 . 6.000 4.059 2.956 5.232 . 0 0 "[ . 1 . ]" 1
77 1 9 LYS QD 1 33 GLU H 4.600 . 6.000 5.465 4.690 5.789 . 0 0 "[ . 1 . ]" 1
78 1 9 LYS QD 1 33 GLU HA 4.000 . 6.000 5.670 5.308 5.958 . 0 0 "[ . 1 . ]" 1
79 1 9 LYS QD 1 33 GLU QB 3.300 . 4.700 3.229 2.784 3.677 . 0 0 "[ . 1 . ]" 1
80 1 9 LYS QD 1 49 GLN QG 2.300 . 2.900 2.731 1.762 3.928 1.028 17 2 "[ . -1 . + ]" 1
81 1 10 ARG H 1 10 ARG HA 2.800 . 3.800 2.875 2.863 2.913 . 0 0 "[ . 1 . ]" 1
82 1 10 ARG H 1 10 ARG QB 2.700 . 3.600 2.264 2.132 2.357 . 0 0 "[ . 1 . ]" 1
83 1 10 ARG H 1 10 ARG QD 5.500 . 6.500 4.179 3.037 4.835 . 0 0 "[ . 1 . ]" 1
84 1 10 ARG H 1 11 VAL H 3.100 . 4.300 2.443 2.188 2.534 . 0 0 "[ . 1 . ]" 1
85 1 10 ARG H 1 17 THR HG1 4.000 . 5.200 3.613 3.325 4.019 . 0 0 "[ . 1 . ]" 1
86 1 10 ARG H 1 18 ILE HA 5.000 . 5.500 5.459 5.210 5.603 0.103 15 0 "[ . 1 . ]" 1
87 1 10 ARG H 1 19 GLU H 2.500 . 3.300 2.038 1.941 2.413 . 0 0 "[ . 1 . ]" 1
88 1 10 ARG H 1 21 LEU H 4.000 . 6.000 5.473 5.213 6.035 0.035 13 0 "[ . 1 . ]" 1
89 1 10 ARG HA 1 10 ARG QB 2.300 . 2.800 2.435 2.285 2.519 . 0 0 "[ . 1 . ]" 1
90 1 10 ARG HA 1 11 VAL H 2.300 . 3.000 3.141 3.112 3.263 0.263 13 0 "[ . 1 . ]" 1
91 1 10 ARG HA 1 17 THR HG1 3.300 . 6.000 5.962 5.587 6.112 0.112 17 0 "[ . 1 . ]" 1
92 1 10 ARG HA 1 17 THR HG1 5.500 . 6.500 5.746 5.412 5.880 . 0 0 "[ . 1 . ]" 1
93 1 10 ARG HA 1 19 GLU H 5.000 . 5.500 4.158 3.945 4.687 . 0 0 "[ . 1 . ]" 1
94 1 10 ARG HA 1 20 TYR H 6.000 . 6.500 6.912 6.530 8.202 1.702 13 2 "[ . 1 + - ]" 1
95 1 10 ARG QB 1 11 VAL H 3.300 . 3.600 3.413 3.036 3.506 . 0 0 "[ . 1 . ]" 1
96 1 10 ARG QB 1 17 THR HG1 2.800 . 6.000 4.566 3.973 4.953 . 0 0 "[ . 1 . ]" 1
97 1 10 ARG QB 1 18 ILE H 3.500 . 4.700 3.188 2.488 4.056 . 0 0 "[ . 1 . ]" 1
98 1 10 ARG QB 1 18 ILE HB 2.600 . 3.500 1.863 1.796 2.049 . 0 0 "[ . 1 . ]" 1
99 1 10 ARG QB 1 19 GLU QB 2.400 . 3.100 2.236 1.795 3.221 0.121 15 0 "[ . 1 . ]" 1
100 1 11 VAL H 1 11 VAL HB 2.600 . 3.100 3.231 2.649 3.383 0.283 13 0 "[ . 1 . ]" 1
101 1 11 VAL H 1 11 VAL QG 4.000 . 5.500 2.568 2.434 2.678 . 0 0 "[ . 1 . ]" 1
102 1 11 VAL H 1 12 GLY H 3.300 . 4.700 4.187 4.137 4.324 . 0 0 "[ . 1 . ]" 1
103 1 11 VAL H 1 17 THR HG1 3.300 . 3.700 3.403 2.911 3.563 . 0 0 "[ . 1 . ]" 1
104 1 11 VAL HA 1 12 GLY H 2.500 . 2.800 2.910 2.707 2.960 0.160 6 0 "[ . 1 . ]" 1
105 1 11 VAL HB 1 12 GLY H 2.500 . 3.300 2.106 1.995 3.495 0.195 15 0 "[ . 1 . ]" 1
106 1 11 VAL HB 1 14 ASP QB 2.800 . 6.000 5.917 5.758 7.391 1.391 19 1 "[ . 1 . +]" 1
107 1 11 VAL QG 1 12 GLY H 4.000 . 5.500 1.868 1.677 1.962 0.123 15 0 "[ . 1 . ]" 1
108 1 11 VAL QG 1 15 GLY H 4.000 . 5.500 4.765 1.906 5.141 . 0 0 "[ . 1 . ]" 1
109 1 11 VAL QG 1 15 GLY QA 5.000 . 6.000 5.450 3.489 5.879 . 0 0 "[ . 1 . ]" 1
110 1 11 VAL QG 1 16 LYS H 5.000 . 6.500 3.941 1.846 4.507 . 0 0 "[ . 1 . ]" 1
111 1 11 VAL QG 1 16 LYS HA 5.000 . 6.500 4.110 3.464 5.004 . 0 0 "[ . 1 . ]" 1
112 1 11 VAL QG 1 17 THR H 5.000 . 6.500 3.694 2.281 4.674 . 0 0 "[ . 1 . ]" 1
113 1 12 GLY H 1 12 GLY QA 2.500 . 3.100 2.291 2.208 2.378 . 0 0 "[ . 1 . ]" 1
114 1 12 GLY H 1 13 ASP H 5.200 . 5.300 4.269 2.305 4.546 . 0 0 "[ . 1 . ]" 1
115 1 12 GLY H 1 17 THR H 5.000 2.800 5.500 5.539 4.784 5.618 0.118 6 0 "[ . 1 . ]" 1
116 1 12 GLY H 1 17 THR HG1 6.000 . 7.000 4.920 3.689 5.511 . 0 0 "[ . 1 . ]" 1
117 1 12 GLY QA 1 13 ASP H 3.300 . 4.000 2.284 2.238 2.425 . 0 0 "[ . 1 . ]" 1
118 1 12 GLY QA 1 14 ASP H 3.900 . 5.800 3.355 3.010 4.142 . 0 0 "[ . 1 . ]" 1
119 1 12 GLY QA 1 14 ASP HA 4.800 . 6.000 5.556 5.407 5.826 . 0 0 "[ . 1 . ]" 1
120 1 13 ASP H 1 13 ASP QB 3.500 . 4.500 2.582 2.303 3.221 . 0 0 "[ . 1 . ]" 1
121 1 13 ASP H 1 14 ASP H 3.600 . 5.200 2.994 2.017 3.817 . 0 0 "[ . 1 . ]" 1
122 1 13 ASP HA 1 14 ASP H 3.100 . 4.300 2.767 2.325 3.000 . 0 0 "[ . 1 . ]" 1
123 1 13 ASP HA 1 15 GLY H 5.000 . 5.500 5.416 4.049 5.749 0.249 13 0 "[ . 1 . ]" 1
124 1 13 ASP HA 1 48 GLN QG 3.500 . 5.000 4.536 4.178 4.714 . 0 0 "[ . 1 . ]" 1
125 1 14 ASP H 1 14 ASP HA 2.900 . 3.900 2.850 2.237 2.943 . 0 0 "[ . 1 . ]" 1
126 1 14 ASP H 1 14 ASP QB 2.900 . 3.900 2.468 2.239 3.139 . 0 0 "[ . 1 . ]" 1
127 1 14 ASP H 1 15 GLY H 3.200 . 3.900 3.015 2.300 3.229 . 0 0 "[ . 1 . ]" 1
128 1 14 ASP H 1 15 GLY HA2 4.400 . 6.000 4.725 4.155 5.126 . 0 0 "[ . 1 . ]" 1
129 1 14 ASP HA 1 14 ASP QB 3.100 . 4.100 2.368 2.301 2.443 . 0 0 "[ . 1 . ]" 1
130 1 14 ASP HA 1 15 GLY H 4.000 . 4.500 3.444 2.620 3.526 . 0 0 "[ . 1 . ]" 1
131 1 14 ASP QB 1 15 GLY H 3.300 . 4.700 2.143 1.902 3.998 0.098 10 0 "[ . 1 . ]" 1
132 1 14 ASP QB 1 16 LYS H 5.400 . 6.000 3.717 3.303 5.014 . 0 0 "[ . 1 . ]" 1
133 1 15 GLY H 1 15 GLY HA2 2.600 . 3.400 2.911 2.888 2.957 . 0 0 "[ . 1 . ]" 1
134 1 15 GLY H 1 15 GLY HA3 2.500 . 3.300 2.641 2.458 2.704 . 0 0 "[ . 1 . ]" 1
135 1 15 GLY H 1 16 LYS H 2.500 . 3.100 2.282 1.956 3.017 . 0 0 "[ . 1 . ]" 1
136 1 15 GLY H 1 17 THR H 4.900 . 5.500 5.003 4.356 5.452 . 0 0 "[ . 1 . ]" 1
137 1 15 GLY QA 1 16 LYS H 5.000 . 6.000 2.761 2.580 2.893 . 0 0 "[ . 1 . ]" 1
138 1 15 GLY HA2 1 16 LYS H 3.400 . 4.800 2.904 2.651 3.323 . 0 0 "[ . 1 . ]" 1
139 1 15 GLY HA2 1 16 LYS HA 3.200 . 4.500 4.385 4.313 4.596 0.096 15 0 "[ . 1 . ]" 1
140 1 16 LYS H 1 16 LYS HB2 2.900 . 3.900 3.423 2.821 4.044 0.144 6 0 "[ . 1 . ]" 1
141 1 16 LYS H 1 16 LYS QD 5.000 . 6.000 4.713 4.117 5.232 . 0 0 "[ . 1 . ]" 1
142 1 16 LYS H 1 17 THR H 2.300 . 2.800 2.843 2.695 2.953 0.153 13 0 "[ . 1 . ]" 1
143 1 16 LYS HA 1 16 LYS HB2 2.500 . 3.300 2.636 2.419 3.026 . 0 0 "[ . 1 . ]" 1
144 1 16 LYS HA 1 17 THR H 3.400 . 4.800 2.466 2.297 2.562 . 0 0 "[ . 1 . ]" 1
145 1 16 LYS HB2 1 17 THR H 4.800 . 5.400 4.467 4.221 4.636 . 0 0 "[ . 1 . ]" 1
146 1 17 THR H 1 17 THR HA 2.500 . 3.300 2.887 2.883 2.900 . 0 0 "[ . 1 . ]" 1
147 1 17 THR H 1 17 THR HB 3.000 . 4.100 2.679 2.642 2.808 . 0 0 "[ . 1 . ]" 1
148 1 17 THR H 1 17 THR HG1 4.000 . 5.000 4.343 4.315 4.404 . 0 0 "[ . 1 . ]" 1
149 1 17 THR H 1 18 ILE H 4.900 . 5.000 4.544 4.398 4.580 . 0 0 "[ . 1 . ]" 1
150 1 17 THR HA 1 17 THR HG1 1.900 . 2.300 2.371 2.339 2.422 0.122 15 0 "[ . 1 . ]" 1
151 1 17 THR HA 1 18 ILE H 2.900 . 3.900 2.524 2.312 2.817 . 0 0 "[ . 1 . ]" 1
152 1 17 THR HB 1 17 THR HG1 1.800 . 2.200 2.273 2.252 2.319 0.119 13 0 "[ . 1 . ]" 1
153 1 17 THR HB 1 18 ILE H 2.700 . 3.600 3.643 3.417 3.719 0.119 15 0 "[ . 1 . ]" 1
154 1 17 THR HG1 1 18 ILE H 1.900 . 2.200 2.155 1.985 2.227 0.027 2 0 "[ . 1 . ]" 1
155 1 17 THR HG1 1 18 ILE HA 4.300 . 6.000 4.852 4.612 4.945 . 0 0 "[ . 1 . ]" 1
156 1 17 THR HG1 1 19 GLU H 3.700 . 5.400 3.564 3.372 4.106 . 0 0 "[ . 1 . ]" 1
157 1 17 THR HG1 1 47 GLN H 3.500 . 6.000 8.378 8.205 8.673 2.673 15 19 [**************+*-**] 1
158 1 17 THR HG1 1 49 GLN HA 3.800 . 5.600 5.558 5.242 5.697 0.097 17 0 "[ . 1 . ]" 1
159 1 17 THR HG1 1 49 GLN QB 3.300 . 4.500 3.068 2.917 3.146 . 0 0 "[ . 1 . ]" 1
160 1 17 THR HG1 1 49 GLN QG 3.900 . 5.400 3.464 3.202 4.229 . 0 0 "[ . 1 . ]" 1
161 1 17 THR HG1 1 50 GLN HG2 3.400 . 4.800 4.276 3.702 4.618 . 0 0 "[ . 1 . ]" 1
162 1 18 ILE H 1 18 ILE HA 2.800 . 3.600 2.894 2.884 2.912 . 0 0 "[ . 1 . ]" 1
163 1 18 ILE H 1 18 ILE HB 2.200 . 2.700 2.774 2.725 2.830 0.130 15 0 "[ . 1 . ]" 1
164 1 18 ILE H 1 18 ILE MD 4.000 . 5.000 4.274 3.981 4.555 . 0 0 "[ . 1 . ]" 1
165 1 18 ILE H 1 18 ILE QG 4.000 . 5.000 3.129 2.898 3.214 . 0 0 "[ . 1 . ]" 1
166 1 18 ILE H 1 19 GLU H 2.600 . 3.500 2.187 2.039 2.755 . 0 0 "[ . 1 . ]" 1
167 1 18 ILE HA 1 19 GLU H 3.100 . 3.400 3.610 3.584 3.630 0.230 5 0 "[ . 1 . ]" 1
168 1 18 ILE HB 1 19 GLU H 3.400 . 3.400 2.757 2.151 2.932 . 0 0 "[ . 1 . ]" 1
169 1 18 ILE MD 1 19 GLU H 5.000 . 6.000 4.750 4.470 4.895 . 0 0 "[ . 1 . ]" 1
170 1 18 ILE QG 1 19 GLU H 5.000 . 6.000 2.971 2.327 3.259 . 0 0 "[ . 1 . ]" 1
171 1 19 GLU H 1 19 GLU HA 2.700 . 3.600 2.882 2.858 2.914 . 0 0 "[ . 1 . ]" 1
172 1 19 GLU H 1 20 TYR H 4.000 . 4.500 4.337 4.269 4.390 . 0 0 "[ . 1 . ]" 1
173 1 19 GLU HA 1 19 GLU QB 2.400 . 2.700 2.451 2.297 2.525 . 0 0 "[ . 1 . ]" 1
174 1 19 GLU HA 1 20 TYR H 1.900 . 2.300 2.200 2.119 2.368 0.068 17 0 "[ . 1 . ]" 1
175 1 19 GLU HA 1 20 TYR QD 5.000 . 6.000 3.806 3.610 4.094 . 0 0 "[ . 1 . ]" 1
176 1 19 GLU HA 1 35 GLN H 6.000 . 6.500 3.865 3.604 5.368 . 0 0 "[ . 1 . ]" 1
177 1 19 GLU HA 1 35 GLN HB2 4.200 . 6.000 4.363 3.773 6.014 0.014 17 0 "[ . 1 . ]" 1
178 1 19 GLU HA 1 50 GLN HG2 4.400 . 5.000 5.181 5.057 5.275 0.275 15 0 "[ . 1 . ]" 1
179 1 19 GLU QB 1 20 TYR H 3.000 . 3.600 2.840 2.310 3.302 . 0 0 "[ . 1 . ]" 1
180 1 19 GLU QG 1 20 TYR H 5.000 . 6.000 2.560 1.873 4.079 . 0 0 "[ . 1 . ]" 1
181 1 20 TYR H 1 20 TYR HA 3.000 . 3.400 2.859 2.817 2.921 . 0 0 "[ . 1 . ]" 1
182 1 20 TYR H 1 20 TYR HB2 3.100 . 3.600 3.589 3.569 3.625 0.025 9 0 "[ . 1 . ]" 1
183 1 20 TYR H 1 20 TYR QD 5.000 . 7.000 1.921 1.814 2.863 . 0 0 "[ . 1 . ]" 1
184 1 20 TYR H 1 20 TYR QE 5.500 . 7.500 3.747 3.665 3.922 . 0 0 "[ . 1 . ]" 1
185 1 20 TYR H 1 21 LEU H 5.000 . 6.500 4.573 4.544 4.598 . 0 0 "[ . 1 . ]" 1
186 1 20 TYR H 1 32 TRP HB2 4.600 . 6.000 5.102 5.049 5.244 . 0 0 "[ . 1 . ]" 1
187 1 20 TYR H 1 33 GLU H 4.400 . 5.500 5.334 5.200 5.549 0.049 19 0 "[ . 1 . ]" 1
188 1 20 TYR H 1 35 GLN H 3.500 . 5.000 3.232 2.981 5.026 0.026 19 0 "[ . 1 . ]" 1
189 1 20 TYR H 1 35 GLN HA 5.000 . 5.500 5.701 5.570 6.657 1.157 17 1 "[ . 1 . + ]" 1
190 1 20 TYR H 1 50 GLN HG2 5.200 . 6.000 5.831 5.496 6.016 0.016 17 0 "[ . 1 . ]" 1
191 1 20 TYR HA 1 20 TYR HB2 2.200 . 2.800 2.491 2.438 2.591 . 0 0 "[ . 1 . ]" 1
192 1 20 TYR HA 1 20 TYR QD 5.500 2.300 7.500 3.483 3.402 3.702 . 0 0 "[ . 1 . ]" 1
193 1 20 TYR HA 1 21 LEU H . . 2.200 2.144 2.101 2.213 0.013 17 0 "[ . 1 . ]" 1
194 1 20 TYR HA 1 32 TRP HB2 4.200 . 6.000 4.699 4.638 4.858 . 0 0 "[ . 1 . ]" 1
195 1 20 TYR QB 1 21 LEU H 5.000 . 6.000 2.908 2.878 2.972 . 0 0 "[ . 1 . ]" 1
196 1 20 TYR HB2 1 21 LEU H 3.000 . 4.000 2.998 2.965 3.076 . 0 0 "[ . 1 . ]" 1
197 1 20 TYR HB2 1 22 VAL HA 4.100 . 6.000 5.981 5.898 6.070 0.070 19 0 "[ . 1 . ]" 1
198 1 20 TYR HB2 1 22 VAL HB 4.500 . 5.600 5.581 4.945 5.715 0.115 15 0 "[ . 1 . ]" 1
199 1 20 TYR HB2 1 32 TRP HB2 . . 2.200 2.247 2.218 2.322 0.122 19 0 "[ . 1 . ]" 1
200 1 20 TYR HB2 1 33 GLU H 2.400 . 2.400 2.319 2.044 2.455 0.055 19 0 "[ . 1 . ]" 1
201 1 20 TYR HB2 1 33 GLU HA 3.400 . 4.900 4.021 3.901 4.346 . 0 0 "[ . 1 . ]" 1
202 1 20 TYR QD 1 35 GLN H 5.000 . 5.500 3.414 2.091 4.379 . 0 0 "[ . 1 . ]" 1
203 1 21 LEU H 1 21 LEU HA 2.700 . 3.600 2.887 2.870 2.898 . 0 0 "[ . 1 . ]" 1
204 1 21 LEU H 1 21 LEU HG 4.000 . 5.500 3.799 3.276 5.072 . 0 0 "[ . 1 . ]" 1
205 1 21 LEU H 1 22 VAL H 4.500 . 5.400 3.963 3.837 4.017 . 0 0 "[ . 1 . ]" 1
206 1 21 LEU H 1 32 TRP HB2 4.000 . 6.000 4.747 4.618 4.893 . 0 0 "[ . 1 . ]" 1
207 1 21 LEU HA 1 22 VAL H 2.000 . 2.500 2.214 2.199 2.222 . 0 0 "[ . 1 . ]" 1
208 1 21 LEU HA 1 32 TRP H 5.000 . 5.500 5.317 4.961 5.545 0.045 9 0 "[ . 1 . ]" 1
209 1 21 LEU HA 1 32 TRP HA 2.400 . 3.100 2.528 2.243 2.732 . 0 0 "[ . 1 . ]" 1
210 1 21 LEU HA 1 32 TRP HE1 5.000 . 7.000 2.118 1.884 2.575 . 0 0 "[ . 1 . ]" 1
211 1 21 LEU HA 1 32 TRP HZ2 5.000 . 7.000 3.918 3.666 4.363 . 0 0 "[ . 1 . ]" 1
212 1 21 LEU HA 1 33 GLU H 3.200 . 4.500 3.364 3.318 3.564 . 0 0 "[ . 1 . ]" 1
213 1 21 LEU QB 1 22 VAL H 4.000 2.800 5.000 3.532 3.384 3.936 . 0 0 "[ . 1 . ]" 1
214 1 22 VAL H 1 22 VAL HA 3.000 . 3.500 2.938 2.920 2.945 . 0 0 "[ . 1 . ]" 1
215 1 22 VAL H 1 22 VAL HB 2.200 . 2.800 2.403 2.340 2.690 . 0 0 "[ . 1 . ]" 1
216 1 22 VAL H 1 22 VAL QG 4.000 . 5.500 2.955 2.222 3.038 . 0 0 "[ . 1 . ]" 1
217 1 22 VAL H 1 23 LYS H 5.000 . 5.500 4.383 3.870 4.552 . 0 0 "[ . 1 . ]" 1
218 1 22 VAL H 1 23 LYS QD 3.500 . 4.000 3.682 2.979 4.062 0.062 10 0 "[ . 1 . ]" 1
219 1 22 VAL H 1 32 TRP H . . 4.000 3.995 3.632 4.182 0.182 9 0 "[ . 1 . ]" 1
220 1 22 VAL H 1 32 TRP HA 2.500 . 2.800 1.887 1.801 1.931 . 0 0 "[ . 1 . ]" 1
221 1 22 VAL H 1 33 GLU H 3.900 . 4.100 3.420 3.255 3.559 . 0 0 "[ . 1 . ]" 1
222 1 22 VAL HA 1 23 LYS H 2.000 . 2.500 2.224 2.154 2.330 . 0 0 "[ . 1 . ]" 1
223 1 22 VAL HA 1 23 LYS HB2 4.600 . 6.000 4.601 4.365 4.903 . 0 0 "[ . 1 . ]" 1
224 1 22 VAL HA 1 29 ASP HA 5.400 . 6.000 5.763 5.445 6.012 0.012 8 0 "[ . 1 . ]" 1
225 1 22 VAL HA 1 33 GLU H 5.000 . 5.500 3.737 3.676 3.894 . 0 0 "[ . 1 . ]" 1
226 1 22 VAL HA 1 33 GLU HA 3.800 . 4.500 4.563 4.514 4.590 0.090 18 0 "[ . 1 . ]" 1
227 1 22 VAL HA 1 33 GLU QB 3.500 . 3.800 3.584 2.916 3.722 . 0 0 "[ . 1 . ]" 1
228 1 22 VAL HB 1 23 LYS H 4.600 . 5.500 4.413 4.136 4.630 . 0 0 "[ . 1 . ]" 1
229 1 22 VAL HB 1 23 LYS HA 4.700 . 6.000 5.222 5.016 5.724 . 0 0 "[ . 1 . ]" 1
230 1 22 VAL HB 1 30 ALA H 3.300 . 4.700 4.125 3.854 4.821 0.121 9 0 "[ . 1 . ]" 1
231 1 22 VAL HB 1 32 TRP HB2 4.100 . 6.000 4.916 4.608 5.195 . 0 0 "[ . 1 . ]" 1
232 1 22 VAL QG 1 23 LYS H 4.000 . 5.500 2.771 2.256 3.389 . 0 0 "[ . 1 . ]" 1
233 1 23 LYS H 1 23 LYS HB2 2.500 . 3.100 2.698 2.326 2.995 . 0 0 "[ . 1 . ]" 1
234 1 23 LYS H 1 23 LYS QD 5.000 . 5.500 2.965 2.174 3.942 . 0 0 "[ . 1 . ]" 1
235 1 23 LYS H 1 24 TRP H 3.400 . 4.900 3.964 3.366 4.361 . 0 0 "[ . 1 . ]" 1
236 1 23 LYS H 1 33 GLU QB 3.500 . 6.000 5.204 4.445 5.516 . 0 0 "[ . 1 . ]" 1
237 1 23 LYS HA 1 23 LYS HB2 2.700 . 3.300 3.017 2.993 3.028 . 0 0 "[ . 1 . ]" 1
238 1 23 LYS HA 1 24 TRP H 2.200 . 2.600 2.175 2.104 2.302 . 0 0 "[ . 1 . ]" 1
239 1 23 LYS HA 1 24 TRP HA 4.100 . 5.000 4.436 4.369 4.533 . 0 0 "[ . 1 . ]" 1
240 1 23 LYS HA 1 24 TRP HB2 5.000 . 6.000 4.433 4.308 4.537 . 0 0 "[ . 1 . ]" 1
241 1 23 LYS HA 1 24 TRP HD1 4.000 . 5.000 5.022 4.460 5.092 0.092 4 0 "[ . 1 . ]" 1
242 1 23 LYS HA 1 29 ASP H 3.700 . 3.800 2.793 1.974 3.802 0.026 9 0 "[ . 1 . ]" 1
243 1 23 LYS HA 1 30 ALA HA 5.000 . 5.500 5.494 4.727 5.644 0.144 9 0 "[ . 1 . ]" 1
244 1 23 LYS QB 1 24 TRP H 5.000 . 5.500 3.543 2.758 3.816 . 0 0 "[ . 1 . ]" 1
245 1 23 LYS HB2 1 24 TRP H 4.200 . 5.800 4.381 3.728 4.538 . 0 0 "[ . 1 . ]" 1
246 1 23 LYS HB2 1 30 ALA H 5.000 . 6.000 5.745 5.132 6.004 0.004 12 0 "[ . 1 . ]" 1
247 1 24 TRP H 1 24 TRP HB2 2.800 . 3.800 2.428 2.294 2.551 . 0 0 "[ . 1 . ]" 1
248 1 24 TRP H 1 30 ALA HA 5.000 . 5.500 5.364 5.215 5.524 0.024 13 0 "[ . 1 . ]" 1
249 1 24 TRP HA 1 24 TRP HB2 3.000 . 3.700 3.024 3.011 3.029 . 0 0 "[ . 1 . ]" 1
250 1 24 TRP HA 1 24 TRP HD1 5.000 . 7.000 4.572 4.469 4.624 . 0 0 "[ . 1 . ]" 1
251 1 24 TRP HA 1 24 TRP HH2 3.500 . 5.500 5.706 5.666 5.743 0.243 12 0 "[ . 1 . ]" 1
252 1 24 TRP HA 1 24 TRP HZ3 5.000 . 7.000 4.153 4.132 4.206 . 0 0 "[ . 1 . ]" 1
253 1 24 TRP HA 1 25 THR H 2.400 . 3.000 2.665 2.524 2.951 . 0 0 "[ . 1 . ]" 1
254 1 24 TRP QB 1 25 THR H 4.000 . 4.500 2.108 1.873 3.729 . 0 0 "[ . 1 . ]" 1
255 1 24 TRP HB2 1 25 THR H 3.600 . 3.900 3.344 3.110 4.054 0.154 18 0 "[ . 1 . ]" 1
256 1 24 TRP HB2 1 25 THR HB 6.000 . 6.000 5.905 5.163 6.140 0.140 13 0 "[ . 1 . ]" 1
257 1 24 TRP HD1 1 30 ALA HA 2.500 . 4.000 4.052 4.019 4.154 0.154 4 0 "[ . 1 . ]" 1
258 1 24 TRP HD1 1 30 ALA MB 4.000 . 6.000 2.015 1.809 2.645 . 0 0 "[ . 1 . ]" 1
259 1 24 TRP HH2 1 30 ALA MB 5.000 . 7.000 5.436 4.540 6.269 . 0 0 "[ . 1 . ]" 1
260 1 25 THR H 1 25 THR HA 2.900 . 3.500 2.913 2.904 2.935 . 0 0 "[ . 1 . ]" 1
261 1 25 THR H 1 25 THR HB 3.500 . 4.000 2.751 2.701 2.839 . 0 0 "[ . 1 . ]" 1
262 1 27 MET H 1 27 MET HA 2.600 . 3.000 2.601 2.269 2.948 . 0 0 "[ . 1 . ]" 1
263 1 29 ASP H 1 29 ASP HA 2.400 . 3.100 2.313 2.269 2.852 . 0 0 "[ . 1 . ]" 1
264 1 29 ASP H 1 29 ASP HB2 3.000 . 4.100 3.233 2.980 3.622 . 0 0 "[ . 1 . ]" 1
265 1 29 ASP H 1 29 ASP QB 3.500 . 4.500 3.013 2.807 3.382 . 0 0 "[ . 1 . ]" 1
266 1 29 ASP H 1 30 ALA H 4.200 . 5.500 3.364 2.943 3.647 . 0 0 "[ . 1 . ]" 1
267 1 29 ASP HA 1 29 ASP HB2 2.900 . 3.800 2.606 2.412 3.028 . 0 0 "[ . 1 . ]" 1
268 1 29 ASP HA 1 30 ALA H 1.900 . 2.400 2.286 2.176 2.430 0.030 13 0 "[ . 1 . ]" 1
269 1 29 ASP HA 1 32 TRP HH2 5.000 . 7.000 6.924 6.461 7.064 0.064 17 0 "[ . 1 . ]" 1
270 1 29 ASP HA 1 32 TRP HZ3 5.000 . 7.000 5.715 5.319 5.972 . 0 0 "[ . 1 . ]" 1
271 1 29 ASP HB2 1 30 ALA H 4.200 . 6.000 4.530 4.446 4.628 . 0 0 "[ . 1 . ]" 1
272 1 30 ALA H 1 30 ALA MB 2.500 . 3.000 2.268 2.137 2.455 . 0 0 "[ . 1 . ]" 1
273 1 30 ALA HA 1 31 THR H 2.700 . 3.000 3.429 3.367 3.454 0.454 6 0 "[ . 1 . ]" 1
274 1 30 ALA MB 1 31 THR H 4.000 . 4.500 1.917 1.828 2.340 . 0 0 "[ . 1 . ]" 1
275 1 31 THR H 1 31 THR HA 2.500 . 3.000 2.918 2.887 2.942 . 0 0 "[ . 1 . ]" 1
276 1 31 THR H 1 31 THR HB 3.000 . 3.500 3.058 2.665 3.620 0.120 7 0 "[ . 1 . ]" 1
277 1 31 THR H 1 31 THR HG1 4.000 . 5.000 2.851 1.862 3.617 . 0 0 "[ . 1 . ]" 1
278 1 31 THR HA 1 32 TRP HD1 4.000 . 5.000 4.389 4.078 4.639 . 0 0 "[ . 1 . ]" 1
279 1 31 THR HG1 1 32 TRP H 4.000 . 5.000 1.979 1.840 3.010 . 0 0 "[ . 1 . ]" 1
280 1 32 TRP H 1 32 TRP HA 3.000 . 3.500 2.887 2.869 2.895 . 0 0 "[ . 1 . ]" 1
281 1 32 TRP H 1 32 TRP HB2 2.500 . 3.100 3.165 3.134 3.204 0.104 15 0 "[ . 1 . ]" 1
282 1 32 TRP H 1 32 TRP QB 3.500 . 4.500 3.042 3.020 3.064 . 0 0 "[ . 1 . ]" 1
283 1 32 TRP H 1 32 TRP HD1 3.500 . 5.500 3.398 3.145 3.573 . 0 0 "[ . 1 . ]" 1
284 1 32 TRP H 1 33 GLU H 4.000 . 4.500 4.349 4.304 4.379 . 0 0 "[ . 1 . ]" 1
285 1 32 TRP H 1 36 ASP QB 3.200 . 4.200 3.542 3.198 3.834 . 0 0 "[ . 1 . ]" 1
286 1 32 TRP HA 1 32 TRP HB2 2.900 . 3.900 2.956 2.925 2.975 . 0 0 "[ . 1 . ]" 1
287 1 32 TRP HA 1 32 TRP HD1 5.000 2.800 7.000 4.612 4.516 4.662 . 0 0 "[ . 1 . ]" 1
288 1 32 TRP HA 1 33 GLU H 1.800 . 2.400 2.312 2.267 2.394 . 0 0 "[ . 1 . ]" 1
289 1 32 TRP QB 1 33 GLU H 4.000 . 5.000 2.808 2.512 2.993 . 0 0 "[ . 1 . ]" 1
290 1 32 TRP HB2 1 33 GLU H 3.600 . 5.000 3.496 3.241 3.598 . 0 0 "[ . 1 . ]" 1
291 1 32 TRP HB2 1 33 GLU QB 4.200 . 6.000 5.277 5.038 5.347 . 0 0 "[ . 1 . ]" 1
292 1 32 TRP HB2 1 36 ASP QB 1.800 . 2.200 2.227 2.059 2.345 0.145 19 0 "[ . 1 . ]" 1
293 1 33 GLU H 1 33 GLU HA 2.600 . 3.500 2.901 2.886 2.929 . 0 0 "[ . 1 . ]" 1
294 1 33 GLU H 1 36 ASP QB 3.500 . 5.000 3.887 3.711 4.072 . 0 0 "[ . 1 . ]" 1
295 1 33 GLU HA 1 44 LEU H 6.000 . 6.000 6.068 5.787 6.230 0.230 16 0 "[ . 1 . ]" 1
296 1 33 GLU QB 1 36 ASP QB 4.200 . 5.500 4.625 4.489 4.838 . 0 0 "[ . 1 . ]" 1
297 1 35 GLN H 1 35 GLN HA 2.200 . 2.800 2.780 2.309 2.825 0.025 17 0 "[ . 1 . ]" 1
298 1 35 GLN H 1 35 GLN HB2 2.400 . 3.100 2.628 2.234 3.556 0.456 8 0 "[ . 1 . ]" 1
299 1 35 GLN H 1 35 GLN QB 3.000 . 4.000 2.322 2.144 2.903 . 0 0 "[ . 1 . ]" 1
300 1 35 GLN H 1 35 GLN QG 4.000 . 5.000 3.662 1.856 4.042 . 0 0 "[ . 1 . ]" 1
301 1 35 GLN H 1 36 ASP H 4.200 . 5.500 3.584 3.091 3.701 . 0 0 "[ . 1 . ]" 1
302 1 35 GLN HA 1 35 GLN HB2 2.200 . 2.700 2.502 2.200 2.885 0.185 12 0 "[ . 1 . ]" 1
303 1 35 GLN HA 1 36 ASP H 3.600 . 5.000 2.651 2.324 2.936 . 0 0 "[ . 1 . ]" 1
304 1 35 GLN HA 1 47 GLN QG 3.300 . 4.600 3.371 2.514 3.879 . 0 0 "[ . 1 . ]" 1
305 1 35 GLN HA 1 50 GLN HG2 3.600 . 5.200 4.433 4.247 5.090 . 0 0 "[ . 1 . ]" 1
306 1 35 GLN HA 1 54 GLU H 3.700 . 5.400 4.783 3.655 5.445 0.045 17 0 "[ . 1 . ]" 1
307 1 35 GLN QB 1 36 ASP H 3.500 . 4.500 3.986 3.743 4.039 . 0 0 "[ . 1 . ]" 1
308 1 35 GLN HB2 1 36 ASP H 3.600 . 5.200 4.584 4.133 4.703 . 0 0 "[ . 1 . ]" 1
309 1 35 GLN HB2 1 47 GLN QG 2.700 . 6.000 5.394 3.854 5.808 . 0 0 "[ . 1 . ]" 1
310 1 35 GLN HB2 1 54 GLU HA 4.800 . 5.500 5.075 4.364 6.029 0.529 16 1 "[ . 1 .+ ]" 1
311 1 35 GLN QG 1 36 ASP H 4.000 . 5.000 4.248 4.041 4.608 . 0 0 "[ . 1 . ]" 1
312 1 36 ASP H 1 36 ASP HA 2.700 . 3.300 2.874 2.855 2.896 . 0 0 "[ . 1 . ]" 1
313 1 36 ASP H 1 36 ASP QB . 2.300 3.600 2.745 2.713 2.771 . 0 0 "[ . 1 . ]" 1
314 1 36 ASP H 1 37 ASN H 2.900 . 3.600 3.415 2.981 3.641 0.041 2 0 "[ . 1 . ]" 1
315 1 36 ASP H 1 37 ASN HA 4.400 . 5.500 4.221 3.881 4.324 . 0 0 "[ . 1 . ]" 1
316 1 36 ASP H 1 38 VAL H 4.300 . 6.000 4.915 4.786 4.980 . 0 0 "[ . 1 . ]" 1
317 1 36 ASP H 1 47 GLN QG 3.000 . 3.400 2.829 2.358 3.231 . 0 0 "[ . 1 . ]" 1
318 1 36 ASP HA 1 36 ASP QB 3.500 . 3.600 2.518 2.278 2.556 . 0 0 "[ . 1 . ]" 1
319 1 36 ASP HA 1 37 ASN H 2.700 . 3.400 2.321 2.212 2.413 . 0 0 "[ . 1 . ]" 1
320 1 36 ASP HA 1 38 VAL H 3.700 . 5.200 3.565 3.333 3.761 . 0 0 "[ . 1 . ]" 1
321 1 36 ASP HA 1 47 GLN QG 5.200 . 6.000 4.631 4.129 5.392 . 0 0 "[ . 1 . ]" 1
322 1 36 ASP QB 1 37 ASN H 4.000 . 5.000 3.914 3.780 4.088 . 0 0 "[ . 1 . ]" 1
323 1 36 ASP QB 1 38 VAL H 4.600 . 6.000 3.308 2.910 4.085 . 0 0 "[ . 1 . ]" 1
324 1 36 ASP QB 1 47 GLN QG 2.500 . 6.000 4.745 4.241 5.290 . 0 0 "[ . 1 . ]" 1
325 1 37 ASN H 1 37 ASN HA 2.600 . 3.400 2.904 2.881 2.919 . 0 0 "[ . 1 . ]" 1
326 1 37 ASN H 1 37 ASN QB 2.700 . 3.600 2.341 2.284 2.563 . 0 0 "[ . 1 . ]" 1
327 1 37 ASN H 1 38 VAL H 2.300 . 3.000 3.021 2.707 3.115 0.115 11 0 "[ . 1 . ]" 1
328 1 37 ASN H 1 38 VAL HB 5.100 . 6.000 4.985 4.387 5.541 . 0 0 "[ . 1 . ]" 1
329 1 37 ASN H 1 44 LEU HA 4.700 . 6.000 5.834 4.927 6.079 0.079 11 0 "[ . 1 . ]" 1
330 1 37 ASN H 1 47 GLN QG 4.700 . 5.600 3.609 2.952 4.466 . 0 0 "[ . 1 . ]" 1
331 1 37 ASN H 1 52 MET QB 2.600 . 3.400 3.097 2.097 3.349 . 0 0 "[ . 1 . ]" 1
332 1 37 ASN HA 1 37 ASN QB 2.500 . 3.300 2.322 2.165 2.387 . 0 0 "[ . 1 . ]" 1
333 1 37 ASN HA 1 38 VAL H 2.800 . 3.800 2.848 2.762 3.040 . 0 0 "[ . 1 . ]" 1
334 1 37 ASN HA 1 44 LEU H 4.400 . 6.000 3.693 3.412 3.940 . 0 0 "[ . 1 . ]" 1
335 1 37 ASN QB 1 38 VAL H 4.600 . 6.000 3.896 3.718 4.057 . 0 0 "[ . 1 . ]" 1
336 1 37 ASN QB 1 40 SER HA 4.300 . 5.600 4.857 3.845 5.261 . 0 0 "[ . 1 . ]" 1
337 1 37 ASN QB 1 44 LEU H 4.300 . 5.400 5.041 4.100 5.185 . 0 0 "[ . 1 . ]" 1
338 1 37 ASN QB 1 50 GLN HB2 4.900 . 6.000 5.569 5.269 5.789 . 0 0 "[ . 1 . ]" 1
339 1 37 ASN QB 1 52 MET QB 2.000 . 2.500 2.199 1.752 2.685 0.185 12 0 "[ . 1 . ]" 1
340 1 38 VAL H 1 38 VAL HA 2.900 . 3.800 2.886 2.833 2.918 . 0 0 "[ . 1 . ]" 1
341 1 38 VAL H 1 38 VAL HB 2.400 . 3.000 2.651 2.506 2.749 . 0 0 "[ . 1 . ]" 1
342 1 38 VAL H 1 39 ASP H 4.400 . 5.500 3.708 2.927 4.632 . 0 0 "[ . 1 . ]" 1
343 1 38 VAL H 1 52 MET QB 4.400 . 6.000 5.644 4.796 5.828 . 0 0 "[ . 1 . ]" 1
344 1 38 VAL HA 1 39 ASP H 2.200 . 2.700 2.529 2.152 2.769 0.069 11 0 "[ . 1 . ]" 1
345 1 38 VAL HA 1 39 ASP HB2 3.800 . 5.600 4.887 4.572 5.254 . 0 0 "[ . 1 . ]" 1
346 1 38 VAL HB 1 39 ASP H 4.100 . 5.500 4.343 3.887 4.652 . 0 0 "[ . 1 . ]" 1
347 1 38 VAL QG 1 39 ASP H 4.500 . 5.500 3.200 2.187 3.740 . 0 0 "[ . 1 . ]" 1
348 1 39 ASP H 1 39 ASP HB2 2.800 . 3.800 3.414 2.981 3.798 . 0 0 "[ . 1 . ]" 1
349 1 39 ASP H 1 40 SER H 4.400 . 5.500 2.768 2.009 4.347 . 0 0 "[ . 1 . ]" 1
350 1 39 ASP HA 1 39 ASP HB2 2.400 . 3.100 2.652 2.423 3.016 . 0 0 "[ . 1 . ]" 1
351 1 39 ASP HA 1 40 SER H 2.900 . 3.300 3.308 2.182 3.499 0.199 7 0 "[ . 1 . ]" 1
352 1 39 ASP HA 1 43 VAL H 5.700 . 6.000 5.691 4.934 6.091 0.091 14 0 "[ . 1 . ]" 1
353 1 39 ASP QB 1 40 SER H 5.000 . 6.000 2.418 1.920 3.972 . 0 0 "[ . 1 . ]" 1
354 1 39 ASP HB2 1 40 SER H 4.400 . 6.000 3.425 2.085 4.576 . 0 0 "[ . 1 . ]" 1
355 1 39 ASP HB2 1 42 LEU H 4.500 . 6.000 4.533 3.371 5.303 . 0 0 "[ . 1 . ]" 1
356 1 40 SER H 1 40 SER HA 2.200 . 2.800 2.361 2.246 2.871 0.071 14 0 "[ . 1 . ]" 1
357 1 40 SER H 1 41 THR H 3.700 . 4.500 2.630 1.969 2.973 0.031 14 0 "[ . 1 . ]" 1
358 1 40 SER H 1 42 LEU H 4.500 . 5.000 4.724 3.914 5.097 0.097 11 0 "[ . 1 . ]" 1
359 1 40 SER HA 1 43 VAL H 4.500 . 4.500 4.583 4.475 4.717 0.217 19 0 "[ . 1 . ]" 1
360 1 40 SER HA 1 43 VAL HB 4.600 . 5.500 4.297 3.948 4.647 . 0 0 "[ . 1 . ]" 1
361 1 40 SER HA 1 44 LEU H 3.000 . 3.800 2.932 2.810 3.110 . 0 0 "[ . 1 . ]" 1
362 1 41 THR H 1 41 THR HB 4.000 . 4.500 3.171 2.678 3.824 . 0 0 "[ . 1 . ]" 1
363 1 41 THR H 1 41 THR HG1 4.000 . 4.500 2.776 1.912 3.557 . 0 0 "[ . 1 . ]" 1
364 1 41 THR H 1 42 LEU H 2.700 . 3.400 2.480 2.225 2.860 . 0 0 "[ . 1 . ]" 1
365 1 41 THR H 1 43 VAL H 2.600 . 3.300 2.798 2.602 3.062 . 0 0 "[ . 1 . ]" 1
366 1 41 THR HA 1 42 LEU H 3.800 . 5.000 3.558 3.522 3.574 . 0 0 "[ . 1 . ]" 1
367 1 41 THR HA 1 44 LEU H 3.800 . 5.000 4.935 4.558 5.150 0.150 9 0 "[ . 1 . ]" 1
368 1 41 THR HA 1 44 LEU QB 4.000 . 4.500 3.744 3.295 4.401 . 0 0 "[ . 1 . ]" 1
369 1 41 THR HA 1 45 LEU H 4.500 . 5.000 4.866 4.715 5.026 0.026 13 0 "[ . 1 . ]" 1
370 1 41 THR HA 1 45 LEU HG 2.900 . 3.900 3.973 3.761 4.050 0.150 8 0 "[ . 1 . ]" 1
371 1 42 LEU H 1 42 LEU HA 2.800 . 3.700 2.900 2.868 2.921 . 0 0 "[ . 1 . ]" 1
372 1 42 LEU H 1 42 LEU HB2 2.100 . 2.700 2.490 2.267 3.620 0.920 18 1 "[ . 1 . + ]" 1
373 1 42 LEU H 1 42 LEU HG 4.500 . 5.500 3.119 2.303 4.629 . 0 0 "[ . 1 . ]" 1
374 1 42 LEU H 1 43 VAL H 2.200 . 2.800 2.338 2.257 2.509 . 0 0 "[ . 1 . ]" 1
375 1 42 LEU H 1 43 VAL HA 5.500 . 6.000 4.973 4.848 5.123 . 0 0 "[ . 1 . ]" 1
376 1 42 LEU H 1 43 VAL HB 4.600 . 6.000 4.871 4.643 5.112 . 0 0 "[ . 1 . ]" 1
377 1 42 LEU H 1 44 LEU H 4.400 . 5.500 4.464 4.101 4.844 . 0 0 "[ . 1 . ]" 1
378 1 42 LEU HA 1 43 VAL H 4.000 . 4.500 3.457 3.375 3.535 . 0 0 "[ . 1 . ]" 1
379 1 42 LEU HA 1 45 LEU H 4.500 . 5.000 4.362 4.202 4.474 . 0 0 "[ . 1 . ]" 1
380 1 42 LEU HA 1 45 LEU QB 4.500 . 5.500 3.915 3.586 4.184 . 0 0 "[ . 1 . ]" 1
381 1 42 LEU HA 1 46 TYR H 4.500 . 5.000 5.067 4.932 5.176 0.176 1 0 "[ . 1 . ]" 1
382 1 42 LEU QB 1 43 VAL H 4.000 . 5.000 3.022 2.784 3.566 . 0 0 "[ . 1 . ]" 1
383 1 42 LEU HB2 1 44 LEU H 3.000 . 6.000 5.742 5.350 6.463 0.463 13 0 "[ . 1 . ]" 1
384 1 42 LEU QD 1 43 VAL H 5.000 . 6.500 3.980 2.900 4.275 . 0 0 "[ . 1 . ]" 1
385 1 42 LEU HG 1 43 VAL H 5.000 . 5.500 4.713 2.210 5.490 . 0 0 "[ . 1 . ]" 1
386 1 43 VAL H 1 43 VAL HA 2.600 . 3.500 2.911 2.901 2.920 . 0 0 "[ . 1 . ]" 1
387 1 43 VAL H 1 43 VAL HB 2.300 . 2.800 2.716 2.451 2.862 0.062 7 0 "[ . 1 . ]" 1
388 1 43 VAL H 1 44 LEU H 2.400 . 3.100 2.575 2.360 2.687 . 0 0 "[ . 1 . ]" 1
389 1 43 VAL H 1 45 LEU H 3.900 . 5.000 3.874 3.732 4.040 . 0 0 "[ . 1 . ]" 1
390 1 43 VAL HA 1 43 VAL HB 2.800 . 3.800 2.999 2.972 3.020 . 0 0 "[ . 1 . ]" 1
391 1 43 VAL HA 1 44 LEU H 3.400 . 4.900 3.567 3.527 3.583 . 0 0 "[ . 1 . ]" 1
392 1 43 VAL HA 1 46 TYR H 3.300 . 4.500 3.444 3.238 3.895 . 0 0 "[ . 1 . ]" 1
393 1 43 VAL HA 1 46 TYR QB 4.500 . 5.500 3.063 2.701 3.568 . 0 0 "[ . 1 . ]" 1
394 1 43 VAL HA 1 47 GLN H 5.000 . 5.500 4.091 3.891 4.688 . 0 0 "[ . 1 . ]" 1
395 1 43 VAL HB 1 44 LEU H 2.200 . 2.500 2.125 1.942 2.348 . 0 0 "[ . 1 . ]" 1
396 1 43 VAL QG 1 44 LEU H 4.000 . 5.500 2.994 2.699 3.119 . 0 0 "[ . 1 . ]" 1
397 1 44 LEU H 1 44 LEU HA 2.400 . 3.100 2.646 2.601 2.719 . 0 0 "[ . 1 . ]" 1
398 1 44 LEU H 1 44 LEU HB2 2.400 . 2.800 2.630 2.483 2.812 0.012 18 0 "[ . 1 . ]" 1
399 1 44 LEU H 1 44 LEU HG 4.500 . 5.500 4.487 4.323 4.631 . 0 0 "[ . 1 . ]" 1
400 1 44 LEU H 1 45 LEU H 2.500 . 3.300 3.080 2.976 3.207 . 0 0 "[ . 1 . ]" 1
401 1 44 LEU H 1 45 LEU HG 3.500 . 4.700 4.658 4.539 4.722 0.022 12 0 "[ . 1 . ]" 1
402 1 44 LEU H 1 47 GLN QG 2.700 . 6.000 5.023 4.337 5.672 . 0 0 "[ . 1 . ]" 1
403 1 44 LEU HA 1 47 GLN H 4.500 . 5.000 3.307 2.962 3.457 . 0 0 "[ . 1 . ]" 1
404 1 44 LEU HA 1 47 GLN QB 4.000 . 5.000 1.982 1.846 3.282 . 0 0 "[ . 1 . ]" 1
405 1 44 LEU HA 1 47 GLN QG 4.000 . 4.700 3.198 1.852 3.685 0.148 19 0 "[ . 1 . ]" 1
406 1 44 LEU HA 1 48 GLN H 4.500 . 5.000 4.194 3.900 4.537 . 0 0 "[ . 1 . ]" 1
407 1 44 LEU QB 1 45 LEU H 4.500 . 5.500 2.824 2.439 3.026 . 0 0 "[ . 1 . ]" 1
408 1 44 LEU HB2 1 45 LEU H 3.700 . 5.400 4.118 3.859 4.262 . 0 0 "[ . 1 . ]" 1
409 1 44 LEU HB2 1 45 LEU HG 4.100 . 6.000 5.395 5.184 5.606 . 0 0 "[ . 1 . ]" 1
410 1 45 LEU H 1 45 LEU HB2 2.100 . 2.600 2.575 2.531 2.620 0.020 17 0 "[ . 1 . ]" 1
411 1 45 LEU H 1 45 LEU HB3 3.300 . 6.000 3.599 3.579 3.612 . 0 0 "[ . 1 . ]" 1
412 1 45 LEU H 1 45 LEU QD 4.000 . 5.500 2.910 2.792 2.989 . 0 0 "[ . 1 . ]" 1
413 1 45 LEU H 1 45 LEU HG 2.300 . 2.600 2.139 2.014 2.236 . 0 0 "[ . 1 . ]" 1
414 1 45 LEU H 1 46 TYR H 2.700 . 3.600 2.797 2.564 3.121 . 0 0 "[ . 1 . ]" 1
415 1 45 LEU H 1 47 GLN H 4.200 . 5.000 3.479 3.339 4.034 . 0 0 "[ . 1 . ]" 1
416 1 45 LEU HA 1 46 TYR H 4.400 . 5.000 3.569 3.500 3.592 . 0 0 "[ . 1 . ]" 1
417 1 45 LEU HA 1 48 GLN H 4.500 . 5.000 3.148 3.064 3.265 . 0 0 "[ . 1 . ]" 1
418 1 45 LEU HA 1 48 GLN QB 5.000 . 6.000 2.506 2.330 2.697 . 0 0 "[ . 1 . ]" 1
419 1 45 LEU HA 1 49 GLN H 4.500 . 5.000 5.224 5.110 5.317 0.317 17 0 "[ . 1 . ]" 1
420 1 45 LEU QB 1 46 TYR H 4.000 . 5.000 2.203 2.051 2.747 . 0 0 "[ . 1 . ]" 1
421 1 45 LEU HB2 1 45 LEU HG 2.100 . 2.400 2.447 2.417 2.471 0.071 15 0 "[ . 1 . ]" 1
422 1 45 LEU HB2 1 46 TYR H 2.300 . 2.900 2.232 2.073 2.813 . 0 0 "[ . 1 . ]" 1
423 1 45 LEU HG 1 46 TYR H 4.300 . 5.500 4.068 3.936 4.327 . 0 0 "[ . 1 . ]" 1
424 1 45 LEU HG 1 48 GLN H 5.100 . 6.000 5.886 5.779 6.012 0.012 19 0 "[ . 1 . ]" 1
425 1 46 TYR H 1 46 TYR HA 2.700 . 3.600 2.841 2.799 2.890 . 0 0 "[ . 1 . ]" 1
426 1 46 TYR H 1 46 TYR HB2 2.000 . 2.500 2.417 2.312 2.559 0.059 9 0 "[ . 1 . ]" 1
427 1 46 TYR H 1 47 GLN H 2.300 . 3.000 2.518 2.345 2.629 . 0 0 "[ . 1 . ]" 1
428 1 46 TYR H 1 47 GLN HA 4.800 . 6.000 5.137 4.970 5.225 . 0 0 "[ . 1 . ]" 1
429 1 46 TYR H 1 47 GLN HB2 5.000 . 6.000 5.268 5.068 5.983 . 0 0 "[ . 1 . ]" 1
430 1 46 TYR H 1 48 GLN H 4.300 . 5.000 3.864 3.635 4.012 . 0 0 "[ . 1 . ]" 1
431 1 46 TYR HA 1 46 TYR HB2 2.500 . 3.300 3.022 3.010 3.032 . 0 0 "[ . 1 . ]" 1
432 1 46 TYR HA 1 46 TYR QE 6.000 . 8.000 4.584 4.395 4.726 . 0 0 "[ . 1 . ]" 1
433 1 46 TYR HA 1 47 GLN H 3.200 . 4.500 3.397 3.374 3.458 . 0 0 "[ . 1 . ]" 1
434 1 46 TYR HA 1 47 GLN HA 2.800 . 6.000 4.591 4.453 4.650 . 0 0 "[ . 1 . ]" 1
435 1 46 TYR HA 1 49 GLN QB 4.500 . 5.000 4.431 4.173 4.568 . 0 0 "[ . 1 . ]" 1
436 1 46 TYR HA 1 50 GLN H 5.000 . 5.500 5.666 5.564 5.739 0.239 4 0 "[ . 1 . ]" 1
437 1 46 TYR QB 1 47 GLN H 4.000 . 5.000 3.056 2.957 3.138 . 0 0 "[ . 1 . ]" 1
438 1 46 TYR HB2 1 47 GLN H 2.900 . 3.900 3.172 3.039 3.282 . 0 0 "[ . 1 . ]" 1
439 1 47 GLN H 1 47 GLN HA 2.500 . 3.300 2.871 2.859 2.890 . 0 0 "[ . 1 . ]" 1
440 1 47 GLN H 1 47 GLN HB2 2.900 . 4.000 3.040 2.871 3.701 . 0 0 "[ . 1 . ]" 1
441 1 47 GLN H 1 47 GLN QG 3.800 . 5.000 3.971 2.804 4.078 . 0 0 "[ . 1 . ]" 1
442 1 47 GLN H 1 48 GLN H 2.500 . 3.300 2.344 2.264 2.431 . 0 0 "[ . 1 . ]" 1
443 1 47 GLN H 1 48 GLN QG 4.100 . 6.000 4.423 4.303 4.703 . 0 0 "[ . 1 . ]" 1
444 1 47 GLN H 1 49 GLN QB 3.300 . 5.000 4.835 4.711 4.911 . 0 0 "[ . 1 . ]" 1
445 1 47 GLN H 1 49 GLN QG 3.600 . 5.300 4.468 4.229 4.654 . 0 0 "[ . 1 . ]" 1
446 1 47 GLN H 1 50 GLN HG2 2.800 . 6.000 6.062 5.998 6.092 0.092 15 0 "[ . 1 . ]" 1
447 1 47 GLN HA 1 47 GLN HB2 2.000 . 2.500 2.265 2.217 2.310 . 0 0 "[ . 1 . ]" 1
448 1 47 GLN HA 1 47 GLN QG 3.000 . 4.100 2.759 2.546 3.532 . 0 0 "[ . 1 . ]" 1
449 1 47 GLN HA 1 48 GLN H 3.000 . 4.100 3.357 3.294 3.402 . 0 0 "[ . 1 . ]" 1
450 1 47 GLN HA 1 49 GLN QB 2.500 . 2.900 2.953 2.854 2.991 0.091 11 0 "[ . 1 . ]" 1
451 1 47 GLN HA 1 49 GLN QG 3.100 . 4.100 3.842 3.744 3.938 . 0 0 "[ . 1 . ]" 1
452 1 47 GLN HA 1 50 GLN H 2.600 . 3.500 2.165 2.064 2.263 . 0 0 "[ . 1 . ]" 1
453 1 47 GLN HA 1 50 GLN QB 4.500 . 5.500 2.750 2.484 3.002 . 0 0 "[ . 1 . ]" 1
454 1 47 GLN HB2 1 47 GLN QG 2.800 . 3.400 2.133 2.107 2.315 . 0 0 "[ . 1 . ]" 1
455 1 47 GLN HB2 1 49 GLN QG 4.100 . 6.000 5.756 5.654 5.808 . 0 0 "[ . 1 . ]" 1
456 1 47 GLN HB2 1 50 GLN H 3.700 . 4.600 4.104 3.485 4.201 . 0 0 "[ . 1 . ]" 1
457 1 47 GLN HB2 1 50 GLN HA 5.500 . 6.000 6.055 5.079 6.148 0.148 12 0 "[ . 1 . ]" 1
458 1 47 GLN HB2 1 50 GLN HG2 4.000 . 5.300 4.918 4.126 5.116 . 0 0 "[ . 1 . ]" 1
459 1 47 GLN QG 1 52 MET QB 2.300 . 6.000 2.415 1.864 2.803 . 0 0 "[ . 1 . ]" 1
460 1 48 GLN H 1 48 GLN HA 2.800 . 3.800 2.801 2.793 2.813 . 0 0 "[ . 1 . ]" 1
461 1 48 GLN H 1 48 GLN HB2 4.400 . 6.000 3.597 3.549 3.615 . 0 0 "[ . 1 . ]" 1
462 1 48 GLN H 1 48 GLN QG 2.700 . 3.600 2.575 2.442 2.829 . 0 0 "[ . 1 . ]" 1
463 1 48 GLN H 1 49 GLN H 2.700 . 3.400 2.412 2.373 2.464 . 0 0 "[ . 1 . ]" 1
464 1 48 GLN H 1 49 GLN QB 2.700 . 4.300 4.272 4.257 4.291 . 0 0 "[ . 1 . ]" 1
465 1 48 GLN H 1 49 GLN QG 3.500 . 5.000 3.785 3.516 4.008 . 0 0 "[ . 1 . ]" 1
466 1 48 GLN HA 1 48 GLN QG 4.800 . 6.000 3.347 3.327 3.488 . 0 0 "[ . 1 . ]" 1
467 1 48 GLN HA 1 49 GLN H 3.500 . 4.500 3.420 3.393 3.438 . 0 0 "[ . 1 . ]" 1
468 1 48 GLN HA 1 49 GLN HA 4.400 . 6.000 4.913 4.891 4.953 . 0 0 "[ . 1 . ]" 1
469 1 48 GLN HA 1 50 GLN H 3.600 . 5.200 4.439 4.318 4.596 . 0 0 "[ . 1 . ]" 1
470 1 48 GLN HB2 1 48 GLN QG 3.800 . 5.600 2.298 2.258 2.440 . 0 0 "[ . 1 . ]" 1
471 1 48 GLN QG 1 49 GLN QB 3.200 . 4.400 3.817 3.692 3.903 . 0 0 "[ . 1 . ]" 1
472 1 49 GLN H 1 49 GLN HA 2.700 . 3.600 2.763 2.752 2.783 . 0 0 "[ . 1 . ]" 1
473 1 49 GLN H 1 49 GLN QB 2.200 . 2.800 2.448 2.423 2.479 . 0 0 "[ . 1 . ]" 1
474 1 49 GLN H 1 49 GLN QG 2.600 . 3.300 2.262 1.911 2.497 . 0 0 "[ . 1 . ]" 1
475 1 49 GLN H 1 50 GLN H 2.700 . 3.600 2.744 2.690 2.783 . 0 0 "[ . 1 . ]" 1
476 1 49 GLN H 1 50 GLN HG2 3.200 . 4.500 4.552 4.473 4.584 0.084 17 0 "[ . 1 . ]" 1
477 1 49 GLN HA 1 49 GLN QB 3.100 . 4.000 2.341 2.318 2.351 . 0 0 "[ . 1 . ]" 1
478 1 49 GLN HA 1 49 GLN QG 3.800 . 5.500 3.190 2.671 3.239 . 0 0 "[ . 1 . ]" 1
479 1 49 GLN HA 1 50 GLN H 3.900 . 4.300 3.544 3.504 3.564 . 0 0 "[ . 1 . ]" 1
480 1 49 GLN HA 1 50 GLN HG2 4.000 . 4.500 4.637 4.593 4.680 0.180 11 0 "[ . 1 . ]" 1
481 1 49 GLN QB 1 49 GLN QG 1.800 . 2.200 1.918 1.892 2.005 . 0 0 "[ . 1 . ]" 1
482 1 49 GLN QG 1 50 GLN HG2 3.800 . 5.600 4.193 4.115 4.315 . 0 0 "[ . 1 . ]" 1
483 1 50 GLN H 1 50 GLN HB2 4.400 . 6.000 2.541 2.385 2.652 . 0 0 "[ . 1 . ]" 1
484 1 50 GLN H 1 50 GLN HG2 2.400 . 2.900 2.315 2.209 2.508 . 0 0 "[ . 1 . ]" 1
485 1 50 GLN H 1 50 GLN QG 4.000 . 5.000 2.291 2.190 2.477 . 0 0 "[ . 1 . ]" 1
486 1 50 GLN HA 1 50 GLN HG2 2.200 . 2.700 2.835 2.772 2.874 0.174 1 0 "[ . 1 . ]" 1
487 1 50 GLN HA 1 52 MET QB 4.100 . 6.000 5.727 5.434 5.969 . 0 0 "[ . 1 . ]" 1
488 1 50 GLN HB2 1 52 MET QB 3.500 . 4.600 4.258 3.890 4.418 . 0 0 "[ . 1 . ]" 1
489 1 50 GLN HB2 1 54 GLU H 5.100 . 6.000 5.974 4.954 6.104 0.104 12 0 "[ . 1 . ]" 1
490 1 52 MET H 1 52 MET QB 3.500 . 5.000 2.956 2.416 3.272 . 0 0 "[ . 1 . ]" 1
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