NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
563859 |
2m0x   |
18831 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0x
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 756
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 44.010
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0090
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0512
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1]"
1 2 GLN 0.048 0.048 7 0 "[ . 1]"
1 3 ILE 0.000 0.000 . 0 "[ . 1]"
1 4 PHE 2.118 0.291 5 0 "[ . 1]"
1 5 VAL 1.208 0.142 5 0 "[ . 1]"
1 6 LYS 0.000 0.000 . 0 "[ . 1]"
1 7 GLY 0.099 0.066 8 0 "[ . 1]"
1 8 LEU 0.023 0.023 8 0 "[ . 1]"
1 9 THR 0.000 0.000 . 0 "[ . 1]"
1 10 GLY 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.000 0.000 . 0 "[ . 1]"
1 13 THR 0.637 0.115 3 0 "[ . 1]"
1 14 THR 0.032 0.019 9 0 "[ . 1]"
1 15 LEU 0.032 0.019 9 0 "[ . 1]"
1 16 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 VAL 0.000 0.000 . 0 "[ . 1]"
1 18 GLU 0.015 0.015 3 0 "[ . 1]"
1 19 PRO 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.015 0.015 3 0 "[ . 1]"
1 21 ASP 0.040 0.025 6 0 "[ . 1]"
1 22 THR 0.000 0.000 . 0 "[ . 1]"
1 23 ILE 0.033 0.015 2 0 "[ . 1]"
1 24 GLU 0.000 0.000 . 0 "[ . 1]"
1 25 ASN 0.040 0.025 6 0 "[ . 1]"
1 26 VAL 0.027 0.027 3 0 "[ . 1]"
1 27 LYS 0.000 0.000 . 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 LYS 0.000 0.000 . 0 "[ . 1]"
1 30 ILE 0.000 0.000 . 0 "[ . 1]"
1 31 GLN 0.008 0.008 10 0 "[ . 1]"
1 32 ASP 0.006 0.006 10 0 "[ . 1]"
1 33 LYS 0.000 0.000 . 0 "[ . 1]"
1 34 THR 0.006 0.006 10 0 "[ . 1]"
1 35 GLY 0.000 0.000 . 0 "[ . 1]"
1 36 LEU 0.000 0.000 . 0 "[ . 1]"
1 37 PRO 0.000 0.000 . 0 "[ . 1]"
1 38 PRO 0.008 0.008 10 0 "[ . 1]"
1 39 ASP 0.000 0.000 . 0 "[ . 1]"
1 40 GLN 0.000 0.000 . 0 "[ . 1]"
1 41 GLN 0.000 0.000 . 0 "[ . 1]"
1 42 ARG 0.000 0.000 . 0 "[ . 1]"
1 43 LEU 0.000 0.000 . 0 "[ . 1]"
1 44 ILE 0.000 0.000 . 0 "[ . 1]"
1 45 PHE 0.236 0.041 4 0 "[ . 1]"
1 46 ALA 0.000 0.000 . 0 "[ . 1]"
1 47 GLY 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 GLN 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 0.000 0.000 . 0 "[ . 1]"
1 51 GLU 0.000 0.000 . 0 "[ . 1]"
1 52 ASP 0.000 0.000 . 0 "[ . 1]"
1 53 GLY 0.000 0.000 . 0 "[ . 1]"
1 54 ARG 0.015 0.015 2 0 "[ . 1]"
1 55 THR 0.000 0.000 . 0 "[ . 1]"
1 56 LEU 0.183 0.064 6 0 "[ . 1]"
1 57 SER 0.023 0.023 2 0 "[ . 1]"
1 58 ASP 0.000 0.000 . 0 "[ . 1]"
1 59 TYR 0.023 0.023 2 0 "[ . 1]"
1 60 ASN 0.000 0.000 . 0 "[ . 1]"
1 61 ILE 0.000 0.000 . 0 "[ . 1]"
1 62 GLN 0.026 0.022 7 0 "[ . 1]"
1 63 LYS 0.143 0.027 5 0 "[ . 1]"
1 64 GLU 2.235 0.291 5 0 "[ . 1]"
1 65 SER 0.236 0.041 4 0 "[ . 1]"
1 66 THR 0.000 0.000 . 0 "[ . 1]"
1 67 LEU 0.050 0.018 6 0 "[ . 1]"
1 68 HIS 0.158 0.045 9 0 "[ . 1]"
1 69 ILE 0.099 0.066 8 0 "[ . 1]"
1 70 VAL 0.000 0.000 . 0 "[ . 1]"
1 71 TRP 0.000 0.000 . 0 "[ . 1]"
1 72 ARG 0.000 0.000 . 0 "[ . 1]"
1 73 LEU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 63 LYS HA 6.000 . 6.100 4.583 3.907 5.413 . 0 0 "[ . 1]" 1
2 1 1 MET ME 1 3 ILE MG 6.000 . 6.100 3.350 3.000 4.017 . 0 0 "[ . 1]" 1
3 1 1 MET ME 1 17 VAL HB 6.000 . 6.100 4.130 3.662 4.824 . 0 0 "[ . 1]" 1
4 1 1 MET ME 1 17 VAL MG2 6.000 . 6.100 2.483 2.087 2.904 . 0 0 "[ . 1]" 1
5 1 1 MET QG 1 63 LYS HA 6.000 . 6.100 3.351 2.597 4.626 . 0 0 "[ . 1]" 1
6 1 2 GLN H 1 2 GLN QG 4.500 . 4.600 2.495 1.752 3.204 0.048 7 0 "[ . 1]" 1
7 1 2 GLN H 1 63 LYS QB 6.000 . 6.100 4.521 4.263 4.761 . 0 0 "[ . 1]" 1
8 1 2 GLN H 1 63 LYS QG 4.500 . 4.600 2.504 2.215 2.796 . 0 0 "[ . 1]" 1
9 1 2 GLN H 1 64 GLU QG 6.000 . 6.100 5.134 4.783 5.415 . 0 0 "[ . 1]" 1
10 1 2 GLN HA 1 2 GLN HB2 3.000 . 3.100 2.979 2.548 3.031 . 0 0 "[ . 1]" 1
11 1 2 GLN HA 1 2 GLN HB3 3.000 . 3.100 2.481 2.376 2.550 . 0 0 "[ . 1]" 1
12 1 2 GLN HA 1 3 ILE H 3.000 . 3.100 2.528 2.468 2.655 . 0 0 "[ . 1]" 1
13 1 2 GLN HA 1 3 ILE MD 6.000 . 6.100 4.939 4.876 5.017 . 0 0 "[ . 1]" 1
14 1 2 GLN HA 1 3 ILE QG 4.500 . 4.600 3.382 3.334 3.459 . 0 0 "[ . 1]" 1
15 1 2 GLN HA 1 3 ILE MG 4.500 . 4.600 3.484 3.441 3.533 . 0 0 "[ . 1]" 1
16 1 2 GLN HA 1 16 GLU HA 4.500 . 4.600 3.004 2.693 3.316 . 0 0 "[ . 1]" 1
17 1 2 GLN HA 1 17 VAL MG2 4.500 . 4.600 2.607 2.305 3.024 . 0 0 "[ . 1]" 1
18 1 2 GLN HB2 1 16 GLU HA 6.000 . 6.100 4.967 3.678 5.277 . 0 0 "[ . 1]" 1
19 1 3 ILE H 1 3 ILE HA 3.000 . 3.100 2.930 2.923 2.947 . 0 0 "[ . 1]" 1
20 1 3 ILE H 1 3 ILE QG 3.000 . 3.100 2.328 2.257 2.395 . 0 0 "[ . 1]" 1
21 1 3 ILE H 1 15 LEU H 4.500 . 4.600 2.558 2.332 2.880 . 0 0 "[ . 1]" 1
22 1 3 ILE H 1 15 LEU QB 6.000 . 6.100 3.590 3.407 3.702 . 0 0 "[ . 1]" 1
23 1 3 ILE HA 1 3 ILE HB 3.000 . 3.100 2.521 2.502 2.542 . 0 0 "[ . 1]" 1
24 1 3 ILE HA 1 3 ILE MG 3.000 . 3.100 2.251 2.237 2.279 . 0 0 "[ . 1]" 1
25 1 3 ILE HA 1 4 PHE H 3.000 . 3.100 2.231 2.205 2.268 . 0 0 "[ . 1]" 1
26 1 3 ILE HA 1 63 LYS HA 6.000 . 6.100 3.902 3.765 4.021 . 0 0 "[ . 1]" 1
27 1 3 ILE HA 1 63 LYS QG 6.000 . 6.100 3.932 3.781 4.245 . 0 0 "[ . 1]" 1
28 1 3 ILE HA 1 64 GLU H 4.500 . 4.600 2.459 2.236 2.755 . 0 0 "[ . 1]" 1
29 1 3 ILE HA 1 64 GLU HA 3.000 . 3.100 2.600 2.489 2.725 . 0 0 "[ . 1]" 1
30 1 3 ILE HA 1 64 GLU QG 6.000 . 6.100 4.172 4.036 4.407 . 0 0 "[ . 1]" 1
31 1 3 ILE HA 1 65 SER H 4.500 . 4.600 2.869 2.611 3.131 . 0 0 "[ . 1]" 1
32 1 3 ILE HA 1 65 SER HB2 6.000 . 6.100 4.236 4.069 4.452 . 0 0 "[ . 1]" 1
33 1 3 ILE HA 1 65 SER HB3 6.000 . 6.100 5.577 5.440 5.834 . 0 0 "[ . 1]" 1
34 1 3 ILE HB 1 3 ILE MD 3.000 . 3.100 2.323 2.282 2.353 . 0 0 "[ . 1]" 1
35 1 3 ILE HB 1 4 PHE H 3.000 . 3.100 2.876 2.756 2.962 . 0 0 "[ . 1]" 1
36 1 3 ILE HB 1 4 PHE HA 6.000 . 6.100 4.656 4.571 4.737 . 0 0 "[ . 1]" 1
37 1 3 ILE HB 1 17 VAL MG1 6.000 . 6.100 4.958 4.927 4.988 . 0 0 "[ . 1]" 1
38 1 3 ILE HB 1 65 SER HB2 4.500 . 4.600 3.348 3.194 3.440 . 0 0 "[ . 1]" 1
39 1 3 ILE HB 1 65 SER HB3 6.000 . 6.100 4.225 4.102 4.354 . 0 0 "[ . 1]" 1
40 1 3 ILE MD 1 4 PHE H 6.000 . 6.100 4.593 4.413 4.688 . 0 0 "[ . 1]" 1
41 1 3 ILE MD 1 5 VAL HA 6.000 . 6.100 4.830 4.771 4.858 . 0 0 "[ . 1]" 1
42 1 3 ILE MD 1 15 LEU H 6.000 . 6.100 4.480 4.234 4.754 . 0 0 "[ . 1]" 1
43 1 3 ILE MD 1 17 VAL HB 6.000 . 6.100 4.054 3.899 4.264 . 0 0 "[ . 1]" 1
44 1 3 ILE MD 1 56 LEU MD1 6.000 . 6.100 3.860 3.562 4.010 . 0 0 "[ . 1]" 1
45 1 3 ILE QG 1 4 PHE H 4.500 . 4.600 4.031 3.997 4.089 . 0 0 "[ . 1]" 1
46 1 3 ILE QG 1 15 LEU H 4.500 . 4.600 2.892 2.679 3.151 . 0 0 "[ . 1]" 1
47 1 3 ILE QG 1 15 LEU QB 4.500 . 4.600 2.227 2.214 2.248 . 0 0 "[ . 1]" 1
48 1 3 ILE QG 1 15 LEU MD2 6.000 . 6.100 4.584 4.543 4.607 . 0 0 "[ . 1]" 1
49 1 3 ILE QG 1 15 LEU HG 6.000 . 6.100 4.307 3.553 4.737 . 0 0 "[ . 1]" 1
50 1 3 ILE MG 1 4 PHE H 4.500 . 4.600 3.694 3.586 3.761 . 0 0 "[ . 1]" 1
51 1 3 ILE MG 1 17 VAL MG2 4.500 . 4.600 2.258 2.135 2.398 . 0 0 "[ . 1]" 1
52 1 3 ILE MG 1 63 LYS HA 4.500 . 4.600 2.723 2.569 3.004 . 0 0 "[ . 1]" 1
53 1 3 ILE MG 1 64 GLU H 4.500 . 4.600 2.912 2.648 3.257 . 0 0 "[ . 1]" 1
54 1 3 ILE MG 1 64 GLU HA 6.000 . 6.100 3.903 3.788 3.995 . 0 0 "[ . 1]" 1
55 1 3 ILE MG 1 65 SER H 3.000 . 3.100 2.148 2.101 2.202 . 0 0 "[ . 1]" 1
56 1 3 ILE MG 1 65 SER HB2 4.500 . 4.600 2.317 2.173 2.417 . 0 0 "[ . 1]" 1
57 1 3 ILE MG 1 65 SER HB3 4.500 . 4.600 3.628 3.497 3.711 . 0 0 "[ . 1]" 1
58 1 4 PHE H 1 4 PHE HB2 3.000 . 3.100 2.732 2.701 2.774 . 0 0 "[ . 1]" 1
59 1 4 PHE H 1 66 THR HA 4.500 . 4.600 4.244 3.997 4.385 . 0 0 "[ . 1]" 1
60 1 4 PHE HA 1 4 PHE HB3 3.000 . 3.100 2.351 2.342 2.357 . 0 0 "[ . 1]" 1
61 1 4 PHE HA 1 4 PHE QE 6.000 . 6.100 4.590 4.576 4.612 . 0 0 "[ . 1]" 1
62 1 4 PHE HA 1 5 VAL H 3.000 . 3.100 2.120 2.091 2.145 . 0 0 "[ . 1]" 1
63 1 4 PHE HA 1 5 VAL HB 6.000 . 6.100 5.619 5.507 5.692 . 0 0 "[ . 1]" 1
64 1 4 PHE HA 1 5 VAL QG 4.500 . 4.600 3.187 3.140 3.267 . 0 0 "[ . 1]" 1
65 1 4 PHE HA 1 14 THR HA 4.500 . 4.600 2.833 2.466 3.116 . 0 0 "[ . 1]" 1
66 1 4 PHE HA 1 14 THR HB 6.000 . 6.100 5.065 4.353 5.335 . 0 0 "[ . 1]" 1
67 1 4 PHE HA 1 14 THR MG 6.000 . 6.100 3.521 3.113 3.673 . 0 0 "[ . 1]" 1
68 1 4 PHE HA 1 15 LEU HG 6.000 . 6.100 5.530 4.897 6.070 . 0 0 "[ . 1]" 1
69 1 4 PHE HB2 1 4 PHE QD 3.000 . 3.100 2.387 2.363 2.417 . 0 0 "[ . 1]" 1
70 1 4 PHE HB2 1 5 VAL HA 6.000 . 6.100 4.813 4.700 4.934 . 0 0 "[ . 1]" 1
71 1 4 PHE HB2 1 12 THR MG 6.000 . 6.100 3.596 3.171 4.159 . 0 0 "[ . 1]" 1
72 1 4 PHE HB2 1 66 THR HA 4.500 . 4.600 3.804 3.671 3.899 . 0 0 "[ . 1]" 1
73 1 4 PHE HB2 1 66 THR MG 6.000 . 6.100 4.900 4.793 4.977 . 0 0 "[ . 1]" 1
74 1 4 PHE HB3 1 4 PHE QD 3.000 . 3.100 2.797 2.788 2.802 . 0 0 "[ . 1]" 1
75 1 4 PHE HB3 1 5 VAL H 4.500 . 4.600 3.486 3.331 3.649 . 0 0 "[ . 1]" 1
76 1 4 PHE HB3 1 5 VAL HA 6.000 . 6.100 5.117 5.037 5.205 . 0 0 "[ . 1]" 1
77 1 4 PHE HB3 1 12 THR MG 4.500 . 4.600 2.819 2.078 3.432 . 0 0 "[ . 1]" 1
78 1 4 PHE HB3 1 66 THR HA 6.000 . 6.100 5.226 5.079 5.295 . 0 0 "[ . 1]" 1
79 1 4 PHE QD 1 14 THR HA 6.000 . 6.100 2.570 2.387 2.829 . 0 0 "[ . 1]" 1
80 1 4 PHE QD 1 14 THR HB 6.000 . 6.100 3.745 2.972 4.076 . 0 0 "[ . 1]" 1
81 1 4 PHE QD 1 14 THR MG 4.500 . 4.600 2.271 2.249 2.291 . 0 0 "[ . 1]" 1
82 1 4 PHE QD 1 64 GLU HA 3.000 . 3.100 3.312 3.218 3.391 0.291 5 0 "[ . 1]" 1
83 1 4 PHE QD 1 64 GLU QB 4.500 . 4.600 2.943 2.748 3.120 . 0 0 "[ . 1]" 1
84 1 4 PHE QD 1 64 GLU QG 6.000 . 6.100 4.168 4.083 4.295 . 0 0 "[ . 1]" 1
85 1 4 PHE QD 1 66 THR HA 6.000 . 6.100 5.332 5.204 5.449 . 0 0 "[ . 1]" 1
86 1 4 PHE QE 1 14 THR HA 6.000 . 6.100 4.143 3.933 4.315 . 0 0 "[ . 1]" 1
87 1 4 PHE QE 1 14 THR HB 6.000 . 6.100 3.740 3.146 4.067 . 0 0 "[ . 1]" 1
88 1 4 PHE QE 1 14 THR MG 4.500 . 4.600 2.405 2.289 2.792 . 0 0 "[ . 1]" 1
89 1 4 PHE QE 1 64 GLU HA 4.500 . 4.600 3.448 3.381 3.497 . 0 0 "[ . 1]" 1
90 1 4 PHE QE 1 64 GLU QB 4.500 . 4.600 2.388 2.323 2.513 . 0 0 "[ . 1]" 1
91 1 4 PHE QE 1 64 GLU QG 4.500 . 4.600 2.969 2.870 3.108 . 0 0 "[ . 1]" 1
92 1 4 PHE HZ 1 64 GLU QG 6.000 . 6.100 2.558 2.468 2.664 . 0 0 "[ . 1]" 1
93 1 5 VAL H 1 5 VAL HA 3.000 . 3.100 2.942 2.905 2.967 . 0 0 "[ . 1]" 1
94 1 5 VAL H 1 5 VAL QG 3.000 . 3.100 1.744 1.658 1.809 0.142 5 0 "[ . 1]" 1
95 1 5 VAL H 1 12 THR MG 6.000 . 6.100 4.138 3.148 4.947 . 0 0 "[ . 1]" 1
96 1 5 VAL HA 1 5 VAL HB 3.000 . 3.100 2.555 2.429 2.766 . 0 0 "[ . 1]" 1
97 1 5 VAL HA 1 5 VAL QG 3.000 . 3.100 2.231 2.163 2.298 . 0 0 "[ . 1]" 1
98 1 5 VAL HA 1 6 LYS H 3.000 . 3.100 2.164 2.143 2.181 . 0 0 "[ . 1]" 1
99 1 5 VAL HA 1 66 THR MG 6.000 . 6.100 4.106 3.872 4.402 . 0 0 "[ . 1]" 1
100 1 5 VAL HA 1 67 LEU H 3.000 . 3.100 2.406 2.181 2.696 . 0 0 "[ . 1]" 1
101 1 5 VAL HA 1 67 LEU QB 4.500 . 4.600 2.476 2.349 2.575 . 0 0 "[ . 1]" 1
102 1 5 VAL HB 1 13 THR H 4.500 . 4.600 4.533 4.179 4.715 0.115 3 0 "[ . 1]" 1
103 1 5 VAL HB 1 13 THR HB 4.500 . 4.600 4.444 4.053 4.635 0.035 2 0 "[ . 1]" 1
104 1 5 VAL HB 1 13 THR MG 6.000 . 6.100 4.980 4.939 5.049 . 0 0 "[ . 1]" 1
105 1 5 VAL HB 1 69 ILE MD 4.500 . 4.600 2.739 2.402 3.380 . 0 0 "[ . 1]" 1
106 1 5 VAL QG 1 13 THR HA 6.000 . 6.100 3.802 3.765 3.869 . 0 0 "[ . 1]" 1
107 1 5 VAL QG 1 67 LEU QB 4.500 . 4.600 2.195 2.115 2.247 . 0 0 "[ . 1]" 1
108 1 5 VAL MG2 1 13 THR HB 3.000 . 3.100 2.046 2.019 2.111 . 0 0 "[ . 1]" 1
109 1 5 VAL MG2 1 13 THR MG 4.500 . 4.600 2.540 2.417 2.718 . 0 0 "[ . 1]" 1
110 1 5 VAL MG2 1 15 LEU QB 6.000 . 6.100 4.028 3.640 4.337 . 0 0 "[ . 1]" 1
111 1 6 LYS H 1 6 LYS QB 3.000 . 3.100 2.333 2.278 2.516 . 0 0 "[ . 1]" 1
112 1 6 LYS H 1 66 THR MG 4.500 . 4.600 3.161 2.779 3.509 . 0 0 "[ . 1]" 1
113 1 6 LYS H 1 67 LEU QB 4.500 . 4.600 3.387 3.126 3.653 . 0 0 "[ . 1]" 1
114 1 6 LYS H 1 67 LEU QD 6.000 . 6.100 4.151 3.886 4.282 . 0 0 "[ . 1]" 1
115 1 6 LYS H 1 68 HIS HA 4.500 . 4.600 3.786 3.525 4.007 . 0 0 "[ . 1]" 1
116 1 6 LYS HA 1 12 THR MG 4.500 . 4.600 2.959 2.406 3.510 . 0 0 "[ . 1]" 1
117 1 6 LYS QB 1 12 THR HA 6.000 . 6.100 5.226 5.048 5.453 . 0 0 "[ . 1]" 1
118 1 6 LYS QB 1 66 THR MG 4.500 . 4.600 2.363 2.023 3.154 . 0 0 "[ . 1]" 1
119 1 6 LYS QB 1 68 HIS HA 4.500 . 4.600 3.170 2.634 4.044 . 0 0 "[ . 1]" 1
120 1 7 GLY H 1 7 GLY HA2 3.000 . 3.100 2.904 2.857 2.955 . 0 0 "[ . 1]" 1
121 1 7 GLY QA 1 69 ILE MG 6.000 . 6.100 3.994 3.448 4.555 . 0 0 "[ . 1]" 1
122 1 7 GLY HA2 1 8 LEU H 3.000 . 3.100 2.520 2.295 2.718 . 0 0 "[ . 1]" 1
123 1 7 GLY HA2 1 69 ILE HB 4.500 . 4.600 3.211 2.338 4.666 0.066 8 0 "[ . 1]" 1
124 1 7 GLY HA2 1 69 ILE MD 4.500 . 4.600 2.667 2.230 3.580 . 0 0 "[ . 1]" 1
125 1 7 GLY HA3 1 8 LEU QB 6.000 . 6.100 4.684 4.483 4.811 . 0 0 "[ . 1]" 1
126 1 7 GLY HA3 1 69 ILE MD 4.500 . 4.600 3.311 2.527 3.628 . 0 0 "[ . 1]" 1
127 1 8 LEU H 1 8 LEU HG 3.000 . 3.100 2.141 1.818 3.123 0.023 8 0 "[ . 1]" 1
128 1 8 LEU HA 1 8 LEU HG 3.000 . 3.100 2.879 2.367 3.093 . 0 0 "[ . 1]" 1
129 1 8 LEU HA 1 9 THR HA 6.000 . 6.100 4.721 4.591 4.855 . 0 0 "[ . 1]" 1
130 1 8 LEU QB 1 71 TRP HE3 6.000 . 6.100 4.829 4.475 5.460 . 0 0 "[ . 1]" 1
131 1 8 LEU QD 1 71 TRP H 4.500 . 4.600 2.520 2.143 2.905 . 0 0 "[ . 1]" 1
132 1 8 LEU QD 1 71 TRP HA 6.000 . 6.100 4.277 4.075 4.492 . 0 0 "[ . 1]" 1
133 1 8 LEU QD 1 71 TRP QB 4.500 . 4.600 2.266 2.028 2.552 . 0 0 "[ . 1]" 1
134 1 8 LEU QD 1 71 TRP HE3 4.500 . 4.600 2.627 2.199 3.027 . 0 0 "[ . 1]" 1
135 1 9 THR HA 1 9 THR MG 3.000 . 3.100 2.322 2.268 2.431 . 0 0 "[ . 1]" 1
136 1 9 THR HA 1 10 GLY HA2 6.000 . 6.100 4.989 4.725 5.160 . 0 0 "[ . 1]" 1
137 1 12 THR HA 1 12 THR HB 3.000 . 3.100 2.594 2.355 3.028 . 0 0 "[ . 1]" 1
138 1 12 THR HA 1 12 THR MG 3.000 . 3.100 2.325 2.244 2.490 . 0 0 "[ . 1]" 1
139 1 12 THR HB 1 13 THR H 4.500 . 4.600 2.976 2.345 3.921 . 0 0 "[ . 1]" 1
140 1 12 THR MG 1 13 THR H 4.500 . 4.600 3.425 1.865 3.919 . 0 0 "[ . 1]" 1
141 1 13 THR H 1 13 THR HB 3.000 . 3.100 2.576 2.404 2.854 . 0 0 "[ . 1]" 1
142 1 13 THR MG 1 33 LYS QB 6.000 . 6.100 3.357 2.859 3.702 . 0 0 "[ . 1]" 1
143 1 14 THR H 1 14 THR HA 3.000 . 3.100 2.888 2.843 2.957 . 0 0 "[ . 1]" 1
144 1 14 THR H 1 14 THR MG 3.000 . 3.100 2.335 2.171 2.387 . 0 0 "[ . 1]" 1
145 1 14 THR HA 1 14 THR HB 3.000 . 3.100 2.491 2.393 2.551 . 0 0 "[ . 1]" 1
146 1 14 THR HA 1 15 LEU H 3.000 . 3.100 2.178 2.130 2.286 . 0 0 "[ . 1]" 1
147 1 14 THR HA 1 15 LEU QB 6.000 . 6.100 4.229 4.075 4.450 . 0 0 "[ . 1]" 1
148 1 14 THR HA 1 15 LEU HG 4.500 . 4.600 4.210 3.699 4.619 0.019 9 0 "[ . 1]" 1
149 1 14 THR HB 1 15 LEU H 4.500 . 4.600 3.336 2.810 3.830 . 0 0 "[ . 1]" 1
150 1 15 LEU H 1 15 LEU QB 3.000 . 3.100 2.456 2.310 2.582 . 0 0 "[ . 1]" 1
151 1 15 LEU QB 1 16 GLU H 4.500 . 4.600 3.012 2.868 3.181 . 0 0 "[ . 1]" 1
152 1 15 LEU QB 1 16 GLU QB 6.000 . 6.100 4.597 4.521 4.686 . 0 0 "[ . 1]" 1
153 1 15 LEU QB 1 17 VAL MG1 6.000 . 6.100 2.606 2.473 2.675 . 0 0 "[ . 1]" 1
154 1 15 LEU QB 1 17 VAL MG2 6.000 . 6.100 4.006 3.854 4.160 . 0 0 "[ . 1]" 1
155 1 15 LEU QD 1 16 GLU H 6.000 . 6.100 3.132 2.761 3.523 . 0 0 "[ . 1]" 1
156 1 15 LEU MD2 1 30 ILE HA 4.500 . 4.600 3.240 3.091 3.485 . 0 0 "[ . 1]" 1
157 1 15 LEU MD2 1 30 ILE HB 6.000 . 6.100 4.979 4.956 5.000 . 0 0 "[ . 1]" 1
158 1 15 LEU MD2 1 30 ILE QG 4.500 . 4.600 2.835 2.688 2.955 . 0 0 "[ . 1]" 1
159 1 16 GLU H 1 16 GLU QB 3.000 . 3.100 2.315 2.262 2.359 . 0 0 "[ . 1]" 1
160 1 16 GLU H 1 16 GLU QG 4.500 . 4.600 3.556 2.450 4.045 . 0 0 "[ . 1]" 1
161 1 16 GLU HA 1 16 GLU QG 3.000 . 3.100 2.351 2.285 2.634 . 0 0 "[ . 1]" 1
162 1 16 GLU HA 1 17 VAL H 3.000 . 3.100 2.157 2.139 2.175 . 0 0 "[ . 1]" 1
163 1 16 GLU HA 1 17 VAL MG1 6.000 . 6.100 3.669 3.516 3.757 . 0 0 "[ . 1]" 1
164 1 16 GLU HA 1 17 VAL MG2 6.000 . 6.100 3.685 3.549 3.849 . 0 0 "[ . 1]" 1
165 1 16 GLU QB 1 17 VAL H 4.500 . 4.600 3.708 3.361 3.867 . 0 0 "[ . 1]" 1
166 1 16 GLU QB 1 17 VAL HA 6.000 . 6.100 4.394 4.114 4.552 . 0 0 "[ . 1]" 1
167 1 16 GLU QG 1 17 VAL H 4.500 . 4.600 3.254 2.855 4.105 . 0 0 "[ . 1]" 1
168 1 17 VAL H 1 17 VAL MG1 4.500 . 4.600 2.933 2.785 3.048 . 0 0 "[ . 1]" 1
169 1 17 VAL H 1 17 VAL MG2 4.500 . 4.600 2.177 2.096 2.269 . 0 0 "[ . 1]" 1
170 1 17 VAL HA 1 17 VAL HB 3.000 . 3.100 2.441 2.400 2.474 . 0 0 "[ . 1]" 1
171 1 17 VAL HA 1 18 GLU QB 6.000 . 6.100 4.183 4.080 4.332 . 0 0 "[ . 1]" 1
172 1 17 VAL MG1 1 18 GLU H 4.500 . 4.600 3.756 3.691 3.836 . 0 0 "[ . 1]" 1
173 1 17 VAL MG1 1 21 ASP HB2 6.000 . 6.100 4.606 4.126 4.893 . 0 0 "[ . 1]" 1
174 1 17 VAL MG1 1 21 ASP HB3 6.000 . 6.100 4.071 3.941 4.352 . 0 0 "[ . 1]" 1
175 1 17 VAL MG1 1 26 VAL MG2 4.500 . 4.600 2.336 2.133 2.616 . 0 0 "[ . 1]" 1
176 1 17 VAL MG2 1 18 GLU H 4.500 . 4.600 3.347 3.159 3.477 . 0 0 "[ . 1]" 1
177 1 17 VAL MG2 1 18 GLU HA 6.000 . 6.100 3.595 3.487 3.783 . 0 0 "[ . 1]" 1
178 1 18 GLU H 1 18 GLU HB2 3.000 . 3.100 2.713 2.518 2.810 . 0 0 "[ . 1]" 1
179 1 18 GLU H 1 18 GLU QG 4.500 . 4.600 3.286 3.029 3.690 . 0 0 "[ . 1]" 1
180 1 18 GLU HA 1 18 GLU HB2 3.000 . 3.100 3.021 3.013 3.031 . 0 0 "[ . 1]" 1
181 1 18 GLU HA 1 18 GLU HB3 3.000 . 3.100 2.552 2.470 2.637 . 0 0 "[ . 1]" 1
182 1 18 GLU HA 1 18 GLU QG 3.000 . 3.100 2.324 2.242 2.626 . 0 0 "[ . 1]" 1
183 1 18 GLU HA 1 19 PRO QD 3.000 . 3.100 2.134 2.117 2.153 . 0 0 "[ . 1]" 1
184 1 18 GLU HA 1 19 PRO QG 6.000 . 6.100 4.061 4.049 4.068 . 0 0 "[ . 1]" 1
185 1 18 GLU HB2 1 19 PRO HA 6.000 . 6.100 5.613 5.500 5.715 . 0 0 "[ . 1]" 1
186 1 18 GLU HB2 1 19 PRO QD 4.500 . 4.600 3.726 3.686 3.751 . 0 0 "[ . 1]" 1
187 1 18 GLU HB2 1 20 SER H 4.500 . 4.600 3.585 3.161 3.866 . 0 0 "[ . 1]" 1
188 1 18 GLU HB2 1 20 SER QB 6.000 . 6.100 4.436 3.700 4.948 . 0 0 "[ . 1]" 1
189 1 18 GLU HB2 1 21 ASP H 4.500 . 4.600 2.811 2.463 3.379 . 0 0 "[ . 1]" 1
190 1 18 GLU HB2 1 21 ASP QB 4.500 . 4.600 2.654 2.313 3.537 . 0 0 "[ . 1]" 1
191 1 18 GLU HB3 1 19 PRO QD 4.500 . 4.600 2.311 2.285 2.360 . 0 0 "[ . 1]" 1
192 1 18 GLU HB3 1 20 SER H 3.000 . 3.100 2.889 2.469 3.115 0.015 3 0 "[ . 1]" 1
193 1 18 GLU HB3 1 21 ASP H 4.500 . 4.600 3.452 3.262 3.620 . 0 0 "[ . 1]" 1
194 1 19 PRO HA 1 19 PRO HB3 3.000 . 3.100 2.328 2.299 2.339 . 0 0 "[ . 1]" 1
195 1 19 PRO HA 1 21 ASP H 4.500 . 4.600 4.274 3.670 4.514 . 0 0 "[ . 1]" 1
196 1 19 PRO HA 1 56 LEU QB 3.000 . 3.100 2.332 2.309 2.370 . 0 0 "[ . 1]" 1
197 1 19 PRO HA 1 56 LEU QD 4.500 . 4.600 2.625 2.430 2.822 . 0 0 "[ . 1]" 1
198 1 19 PRO HB2 1 57 SER QB 6.000 . 6.100 4.289 3.084 5.195 . 0 0 "[ . 1]" 1
199 1 19 PRO HB3 1 56 LEU MD1 6.000 . 6.100 4.657 4.315 4.846 . 0 0 "[ . 1]" 1
200 1 19 PRO HB3 1 57 SER QB 4.500 . 4.600 3.343 2.850 4.155 . 0 0 "[ . 1]" 1
201 1 20 SER H 1 21 ASP H 3.000 . 3.100 2.505 2.264 2.612 . 0 0 "[ . 1]" 1
202 1 20 SER HA 1 21 ASP H 4.500 . 4.600 3.479 3.299 3.532 . 0 0 "[ . 1]" 1
203 1 20 SER HA 1 55 THR MG 4.500 . 4.600 3.101 2.938 3.271 . 0 0 "[ . 1]" 1
204 1 20 SER QB 1 55 THR MG 6.000 . 6.100 4.311 4.092 4.421 . 0 0 "[ . 1]" 1
205 1 21 ASP H 1 21 ASP HB2 3.000 . 3.100 2.371 2.316 2.456 . 0 0 "[ . 1]" 1
206 1 21 ASP HA 1 21 ASP HB2 3.000 . 3.100 2.640 2.513 3.019 . 0 0 "[ . 1]" 1
207 1 21 ASP HA 1 21 ASP HB3 3.000 . 3.100 2.925 2.551 3.023 . 0 0 "[ . 1]" 1
208 1 21 ASP HA 1 22 THR MG 4.500 . 4.600 3.521 3.422 3.572 . 0 0 "[ . 1]" 1
209 1 21 ASP HA 1 26 VAL MG2 6.000 . 6.100 5.017 4.874 5.055 . 0 0 "[ . 1]" 1
210 1 21 ASP HB2 1 26 VAL MG2 6.000 . 6.100 4.610 3.708 4.890 . 0 0 "[ . 1]" 1
211 1 21 ASP HB2 1 56 LEU MD1 6.000 . 6.100 3.847 2.518 4.402 . 0 0 "[ . 1]" 1
212 1 21 ASP HB3 1 25 ASN HB2 6.000 . 6.100 5.714 4.291 6.125 0.025 6 0 "[ . 1]" 1
213 1 21 ASP HB3 1 26 VAL MG2 4.500 . 4.600 3.619 3.037 3.813 . 0 0 "[ . 1]" 1
214 1 21 ASP HB3 1 56 LEU MD1 4.500 . 4.600 3.037 2.654 3.591 . 0 0 "[ . 1]" 1
215 1 22 THR H 1 22 THR MG 3.000 . 3.100 2.095 1.931 2.198 . 0 0 "[ . 1]" 1
216 1 22 THR H 1 25 ASN HB2 4.500 . 4.600 3.699 3.472 3.962 . 0 0 "[ . 1]" 1
217 1 22 THR H 1 25 ASN HB3 4.500 . 4.600 3.524 3.390 3.815 . 0 0 "[ . 1]" 1
218 1 22 THR H 1 55 THR HA 6.000 . 6.100 5.177 4.962 5.400 . 0 0 "[ . 1]" 1
219 1 22 THR HA 1 22 THR MG 3.000 . 3.100 2.412 2.387 2.460 . 0 0 "[ . 1]" 1
220 1 22 THR HA 1 23 ILE MD 4.500 . 4.600 3.455 2.991 3.560 . 0 0 "[ . 1]" 1
221 1 22 THR HA 1 55 THR HA 3.000 . 3.100 2.551 2.354 2.773 . 0 0 "[ . 1]" 1
222 1 22 THR HA 1 55 THR HB 6.000 . 6.100 4.346 3.990 4.590 . 0 0 "[ . 1]" 1
223 1 22 THR HA 1 55 THR MG 4.500 . 4.600 2.839 2.325 3.203 . 0 0 "[ . 1]" 1
224 1 22 THR HA 1 56 LEU QD 6.000 . 6.100 4.310 4.092 4.499 . 0 0 "[ . 1]" 1
225 1 22 THR HB 1 23 ILE HA 6.000 . 6.100 4.906 4.862 4.990 . 0 0 "[ . 1]" 1
226 1 22 THR HB 1 24 GLU QB 4.500 . 4.600 3.611 3.383 3.798 . 0 0 "[ . 1]" 1
227 1 22 THR HB 1 53 GLY HA2 6.000 . 6.100 5.003 4.534 5.249 . 0 0 "[ . 1]" 1
228 1 22 THR HB 1 55 THR HA 4.500 . 4.600 4.261 3.942 4.451 . 0 0 "[ . 1]" 1
229 1 22 THR MG 1 23 ILE H 6.000 . 6.100 3.806 3.753 3.897 . 0 0 "[ . 1]" 1
230 1 22 THR MG 1 25 ASN HB2 6.000 . 6.100 4.694 4.512 4.842 . 0 0 "[ . 1]" 1
231 1 22 THR MG 1 25 ASN HB3 6.000 . 6.100 4.950 4.839 5.035 . 0 0 "[ . 1]" 1
232 1 22 THR MG 1 53 GLY HA2 6.000 . 6.100 4.658 4.201 4.918 . 0 0 "[ . 1]" 1
233 1 22 THR MG 1 54 ARG H 6.000 . 6.100 4.695 4.420 4.957 . 0 0 "[ . 1]" 1
234 1 22 THR MG 1 55 THR HA 4.500 . 4.600 3.535 3.382 3.587 . 0 0 "[ . 1]" 1
235 1 22 THR MG 1 55 THR HB 6.000 . 6.100 4.462 4.270 4.614 . 0 0 "[ . 1]" 1
236 1 23 ILE H 1 23 ILE HA 3.000 . 3.100 2.815 2.800 2.825 . 0 0 "[ . 1]" 1
237 1 23 ILE H 1 23 ILE HB 3.000 . 3.100 2.624 2.269 2.691 . 0 0 "[ . 1]" 1
238 1 23 ILE H 1 23 ILE MD 4.500 . 4.600 2.528 1.789 2.684 0.011 3 0 "[ . 1]" 1
239 1 23 ILE H 1 23 ILE QG 4.500 . 4.600 1.989 1.796 3.386 0.004 5 0 "[ . 1]" 1
240 1 23 ILE H 1 54 ARG H 4.500 . 4.600 4.157 3.889 4.441 . 0 0 "[ . 1]" 1
241 1 23 ILE H 1 55 THR HA 4.500 . 4.600 3.621 3.057 3.843 . 0 0 "[ . 1]" 1
242 1 23 ILE HA 1 23 ILE MD 3.000 . 3.100 2.105 2.076 2.237 . 0 0 "[ . 1]" 1
243 1 23 ILE HA 1 26 VAL H 4.500 . 4.600 3.130 3.044 3.195 . 0 0 "[ . 1]" 1
244 1 23 ILE HA 1 26 VAL HB 3.000 . 3.100 2.616 2.455 2.767 . 0 0 "[ . 1]" 1
245 1 23 ILE HA 1 26 VAL MG1 6.000 . 6.100 3.921 3.821 4.019 . 0 0 "[ . 1]" 1
246 1 23 ILE HA 1 26 VAL MG2 4.500 . 4.600 2.312 2.166 2.412 . 0 0 "[ . 1]" 1
247 1 23 ILE HA 1 50 LEU MD1 6.000 . 6.100 4.505 4.423 4.601 . 0 0 "[ . 1]" 1
248 1 23 ILE HB 1 50 LEU MD1 6.000 . 6.100 4.813 4.500 4.958 . 0 0 "[ . 1]" 1
249 1 23 ILE HB 1 52 ASP HA 4.500 . 4.600 3.142 2.977 3.892 . 0 0 "[ . 1]" 1
250 1 23 ILE HB 1 54 ARG H 4.500 . 4.600 4.482 4.062 4.615 0.015 2 0 "[ . 1]" 1
251 1 23 ILE HB 1 59 TYR QE 6.000 . 6.100 4.479 3.608 4.718 . 0 0 "[ . 1]" 1
252 1 23 ILE MD 1 26 VAL MG2 4.500 . 4.600 2.815 2.754 2.906 . 0 0 "[ . 1]" 1
253 1 23 ILE MD 1 50 LEU QB 6.000 . 6.100 3.060 2.796 3.890 . 0 0 "[ . 1]" 1
254 1 23 ILE MD 1 50 LEU MD2 6.000 . 6.100 3.406 3.114 3.849 . 0 0 "[ . 1]" 1
255 1 23 ILE MD 1 55 THR HA 4.500 . 4.600 3.474 2.533 3.662 . 0 0 "[ . 1]" 1
256 1 23 ILE MD 1 56 LEU H 6.000 . 6.100 3.875 3.110 4.139 . 0 0 "[ . 1]" 1
257 1 23 ILE MD 1 56 LEU HA 4.500 . 4.600 3.359 2.669 3.580 . 0 0 "[ . 1]" 1
258 1 23 ILE MD 1 59 TYR QD 6.000 . 6.100 2.615 2.473 2.776 . 0 0 "[ . 1]" 1
259 1 23 ILE MD 1 59 TYR QE 6.000 . 6.100 2.696 2.432 2.889 . 0 0 "[ . 1]" 1
260 1 23 ILE QG 1 26 VAL HB 6.000 . 6.100 5.046 3.818 5.306 . 0 0 "[ . 1]" 1
261 1 23 ILE QG 1 26 VAL MG2 6.000 . 6.100 4.328 3.369 4.462 . 0 0 "[ . 1]" 1
262 1 23 ILE QG 1 50 LEU HA 6.000 . 6.100 4.007 3.719 4.225 . 0 0 "[ . 1]" 1
263 1 23 ILE QG 1 54 ARG H 6.000 . 6.100 3.705 3.447 5.199 . 0 0 "[ . 1]" 1
264 1 23 ILE QG 1 56 LEU HA 6.000 . 6.100 4.987 4.432 5.194 . 0 0 "[ . 1]" 1
265 1 23 ILE QG 1 59 TYR QE 4.500 . 4.600 2.293 2.209 2.462 . 0 0 "[ . 1]" 1
266 1 23 ILE MG 1 27 LYS QG 4.500 . 4.600 2.378 2.277 2.529 . 0 0 "[ . 1]" 1
267 1 23 ILE MG 1 50 LEU QB 4.500 . 4.600 2.267 2.048 2.462 . 0 0 "[ . 1]" 1
268 1 23 ILE MG 1 52 ASP H 6.000 . 6.100 4.814 4.682 4.938 . 0 0 "[ . 1]" 1
269 1 23 ILE MG 1 52 ASP HA 6.000 . 6.100 4.318 3.941 4.474 . 0 0 "[ . 1]" 1
270 1 24 GLU HA 1 24 GLU QG 3.000 . 3.100 2.354 2.257 2.662 . 0 0 "[ . 1]" 1
271 1 24 GLU HA 1 25 ASN H 4.500 . 4.600 3.553 3.542 3.562 . 0 0 "[ . 1]" 1
272 1 24 GLU HA 1 26 VAL H 6.000 . 6.100 4.587 4.525 4.667 . 0 0 "[ . 1]" 1
273 1 24 GLU HA 1 27 LYS H 4.500 . 4.600 3.696 3.622 3.784 . 0 0 "[ . 1]" 1
274 1 24 GLU HA 1 28 ALA MB 6.000 . 6.100 4.864 4.827 4.899 . 0 0 "[ . 1]" 1
275 1 24 GLU HA 1 52 ASP QB 6.000 . 6.100 4.505 3.989 5.191 . 0 0 "[ . 1]" 1
276 1 24 GLU QB 1 25 ASN H 3.000 . 3.100 2.464 2.427 2.515 . 0 0 "[ . 1]" 1
277 1 24 GLU QB 1 52 ASP QB 6.000 . 6.100 3.429 2.795 4.645 . 0 0 "[ . 1]" 1
278 1 24 GLU QG 1 25 ASN H 4.500 . 4.600 3.699 3.514 4.054 . 0 0 "[ . 1]" 1
279 1 24 GLU QG 1 27 LYS QB 6.000 . 6.100 4.037 3.811 4.656 . 0 0 "[ . 1]" 1
280 1 25 ASN H 1 25 ASN HB2 3.000 . 3.100 2.518 2.429 2.587 . 0 0 "[ . 1]" 1
281 1 25 ASN H 1 25 ASN HB3 3.000 . 3.100 2.547 2.465 2.636 . 0 0 "[ . 1]" 1
282 1 25 ASN H 1 26 VAL H 3.000 . 3.100 2.646 2.586 2.714 . 0 0 "[ . 1]" 1
283 1 25 ASN HA 1 25 ASN HB2 3.000 . 3.100 2.482 2.447 2.534 . 0 0 "[ . 1]" 1
284 1 25 ASN HA 1 28 ALA MB 4.500 . 4.600 2.504 2.419 2.600 . 0 0 "[ . 1]" 1
285 1 25 ASN HB2 1 26 VAL H 4.500 . 4.600 3.805 3.734 3.842 . 0 0 "[ . 1]" 1
286 1 25 ASN HB2 1 26 VAL MG2 6.000 . 6.100 4.617 4.516 4.716 . 0 0 "[ . 1]" 1
287 1 25 ASN HB3 1 26 VAL H 3.000 . 3.100 2.499 2.438 2.544 . 0 0 "[ . 1]" 1
288 1 25 ASN HB3 1 26 VAL MG2 4.500 . 4.600 3.132 3.071 3.264 . 0 0 "[ . 1]" 1
289 1 26 VAL H 1 26 VAL HA 3.000 . 3.100 2.786 2.772 2.797 . 0 0 "[ . 1]" 1
290 1 26 VAL H 1 26 VAL HB 3.000 . 3.100 2.622 2.535 2.705 . 0 0 "[ . 1]" 1
291 1 26 VAL H 1 26 VAL MG2 3.000 . 3.100 1.870 1.773 2.000 0.027 3 0 "[ . 1]" 1
292 1 26 VAL H 1 27 LYS H 3.000 . 3.100 2.823 2.779 2.854 . 0 0 "[ . 1]" 1
293 1 26 VAL HA 1 26 VAL MG1 3.000 . 3.100 2.294 2.266 2.342 . 0 0 "[ . 1]" 1
294 1 26 VAL HA 1 26 VAL MG2 3.000 . 3.100 2.406 2.318 2.475 . 0 0 "[ . 1]" 1
295 1 26 VAL HA 1 29 LYS H 4.500 . 4.600 3.406 3.290 3.469 . 0 0 "[ . 1]" 1
296 1 26 VAL HA 1 29 LYS HB2 4.500 . 4.600 2.870 2.708 3.017 . 0 0 "[ . 1]" 1
297 1 26 VAL HA 1 29 LYS QG 4.500 . 4.600 3.013 2.564 3.215 . 0 0 "[ . 1]" 1
298 1 26 VAL HB 1 27 LYS H 3.000 . 3.100 2.467 2.395 2.528 . 0 0 "[ . 1]" 1
299 1 26 VAL HB 1 27 LYS HA 4.500 . 4.600 4.212 4.136 4.287 . 0 0 "[ . 1]" 1
300 1 26 VAL HB 1 27 LYS QG 4.500 . 4.600 3.302 3.200 3.401 . 0 0 "[ . 1]" 1
301 1 26 VAL HB 1 50 LEU MD1 6.000 . 6.100 4.960 4.822 5.042 . 0 0 "[ . 1]" 1
302 1 26 VAL MG1 1 27 LYS H 4.500 . 4.600 3.449 3.294 3.565 . 0 0 "[ . 1]" 1
303 1 26 VAL MG1 1 29 LYS H 6.000 . 6.100 4.578 4.452 4.671 . 0 0 "[ . 1]" 1
304 1 26 VAL MG1 1 29 LYS HB3 6.000 . 6.100 4.879 4.761 4.939 . 0 0 "[ . 1]" 1
305 1 26 VAL MG2 1 29 LYS QG 6.000 . 6.100 4.309 4.167 4.408 . 0 0 "[ . 1]" 1
306 1 26 VAL MG2 1 56 LEU HG 6.000 . 6.100 4.280 3.662 4.712 . 0 0 "[ . 1]" 1
307 1 27 LYS H 1 27 LYS QB 3.000 . 3.100 2.344 2.321 2.401 . 0 0 "[ . 1]" 1
308 1 27 LYS H 1 27 LYS QG 3.000 . 3.100 2.343 2.223 2.410 . 0 0 "[ . 1]" 1
309 1 27 LYS H 1 28 ALA H 3.000 . 3.100 2.621 2.576 2.663 . 0 0 "[ . 1]" 1
310 1 27 LYS H 1 29 LYS H 4.500 . 4.600 4.201 4.167 4.263 . 0 0 "[ . 1]" 1
311 1 27 LYS HA 1 30 ILE HA 6.000 . 6.100 5.289 5.261 5.348 . 0 0 "[ . 1]" 1
312 1 27 LYS HA 1 30 ILE HB 3.000 . 3.100 2.489 2.468 2.546 . 0 0 "[ . 1]" 1
313 1 27 LYS HA 1 30 ILE MD 3.000 . 3.100 2.267 2.253 2.276 . 0 0 "[ . 1]" 1
314 1 27 LYS HA 1 30 ILE QG 4.500 . 4.600 3.571 3.497 3.656 . 0 0 "[ . 1]" 1
315 1 27 LYS HA 1 30 ILE MG 4.500 . 4.600 3.837 3.822 3.851 . 0 0 "[ . 1]" 1
316 1 27 LYS HA 1 43 LEU QD 4.500 . 4.600 2.990 2.887 3.112 . 0 0 "[ . 1]" 1
317 1 27 LYS HA 1 43 LEU HG 6.000 . 6.100 4.885 4.598 5.279 . 0 0 "[ . 1]" 1
318 1 27 LYS QB 1 28 ALA H 4.500 . 4.600 2.711 2.673 2.738 . 0 0 "[ . 1]" 1
319 1 27 LYS QB 1 28 ALA MB 6.000 . 6.100 3.889 3.847 3.922 . 0 0 "[ . 1]" 1
320 1 27 LYS QB 1 30 ILE MD 6.000 . 6.100 4.068 4.035 4.097 . 0 0 "[ . 1]" 1
321 1 27 LYS QB 1 38 PRO HA 6.000 . 6.100 4.259 3.600 4.767 . 0 0 "[ . 1]" 1
322 1 27 LYS QB 1 38 PRO QB 6.000 . 6.100 4.266 3.750 4.780 . 0 0 "[ . 1]" 1
323 1 27 LYS QB 1 43 LEU QD 6.000 . 6.100 3.685 3.627 3.752 . 0 0 "[ . 1]" 1
324 1 27 LYS QB 1 43 LEU HG 6.000 . 6.100 5.113 4.796 5.422 . 0 0 "[ . 1]" 1
325 1 27 LYS QG 1 28 ALA H 6.000 . 6.100 4.190 4.110 4.230 . 0 0 "[ . 1]" 1
326 1 27 LYS QG 1 43 LEU QD 4.500 . 4.600 2.003 1.950 2.060 . 0 0 "[ . 1]" 1
327 1 28 ALA HA 1 31 GLN H 4.500 . 4.600 3.421 3.296 3.554 . 0 0 "[ . 1]" 1
328 1 28 ALA HA 1 31 GLN HB2 4.500 . 4.600 3.189 2.977 3.453 . 0 0 "[ . 1]" 1
329 1 28 ALA HA 1 31 GLN HB3 4.500 . 4.600 2.864 2.586 3.095 . 0 0 "[ . 1]" 1
330 1 28 ALA HA 1 31 GLN QG 6.000 . 6.100 4.605 4.449 4.753 . 0 0 "[ . 1]" 1
331 1 28 ALA MB 1 29 LYS H 4.500 . 4.600 2.492 2.439 2.567 . 0 0 "[ . 1]" 1
332 1 28 ALA MB 1 31 GLN HB2 6.000 . 6.100 4.718 4.541 4.943 . 0 0 "[ . 1]" 1
333 1 29 LYS H 1 29 LYS HA 3.000 . 3.100 2.831 2.820 2.846 . 0 0 "[ . 1]" 1
334 1 29 LYS H 1 29 LYS HB2 3.000 . 3.100 2.426 2.355 2.584 . 0 0 "[ . 1]" 1
335 1 29 LYS H 1 30 ILE H 3.000 . 3.100 2.604 2.572 2.623 . 0 0 "[ . 1]" 1
336 1 29 LYS HA 1 29 LYS HB3 3.000 . 3.100 2.519 2.444 2.559 . 0 0 "[ . 1]" 1
337 1 29 LYS HA 1 29 LYS QG 3.000 . 3.100 2.567 2.314 2.690 . 0 0 "[ . 1]" 1
338 1 29 LYS HA 1 32 ASP QB 4.500 . 4.600 3.532 2.951 3.980 . 0 0 "[ . 1]" 1
339 1 29 LYS HB3 1 30 ILE HB 6.000 . 6.100 5.744 5.676 5.891 . 0 0 "[ . 1]" 1
340 1 30 ILE H 1 30 ILE HA 3.000 . 3.100 2.822 2.807 2.841 . 0 0 "[ . 1]" 1
341 1 30 ILE H 1 30 ILE HB 3.000 . 3.100 2.361 2.316 2.381 . 0 0 "[ . 1]" 1
342 1 30 ILE H 1 30 ILE MG 4.500 . 4.600 3.718 3.702 3.726 . 0 0 "[ . 1]" 1
343 1 30 ILE HA 1 30 ILE QG 3.000 . 3.100 2.349 2.334 2.363 . 0 0 "[ . 1]" 1
344 1 30 ILE HA 1 33 LYS H 4.500 . 4.600 3.148 2.925 3.393 . 0 0 "[ . 1]" 1
345 1 30 ILE HA 1 33 LYS QB 4.500 . 4.600 3.099 2.659 3.592 . 0 0 "[ . 1]" 1
346 1 30 ILE HA 1 33 LYS QG 4.500 . 4.600 3.574 2.720 3.793 . 0 0 "[ . 1]" 1
347 1 30 ILE HA 1 34 THR MG 6.000 . 6.100 3.812 3.538 4.076 . 0 0 "[ . 1]" 1
348 1 30 ILE HB 1 30 ILE MD 3.000 . 3.100 2.320 2.301 2.334 . 0 0 "[ . 1]" 1
349 1 30 ILE HB 1 31 GLN HA 6.000 . 6.100 4.372 4.328 4.413 . 0 0 "[ . 1]" 1
350 1 30 ILE MD 1 67 LEU QB 6.000 . 6.100 4.373 4.092 4.500 . 0 0 "[ . 1]" 1
351 1 30 ILE QG 1 31 GLN H 6.000 . 6.100 4.134 4.091 4.171 . 0 0 "[ . 1]" 1
352 1 30 ILE QG 1 32 ASP H 6.000 . 6.100 5.043 4.981 5.154 . 0 0 "[ . 1]" 1
353 1 30 ILE MG 1 31 GLN H 4.500 . 4.600 3.231 3.159 3.310 . 0 0 "[ . 1]" 1
354 1 30 ILE MG 1 31 GLN HA 4.500 . 4.600 3.301 3.244 3.363 . 0 0 "[ . 1]" 1
355 1 30 ILE MG 1 34 THR HB 6.000 . 6.100 3.775 3.521 4.247 . 0 0 "[ . 1]" 1
356 1 30 ILE MG 1 34 THR MG 4.500 . 4.600 2.054 1.956 2.203 . 0 0 "[ . 1]" 1
357 1 30 ILE MG 1 36 LEU MD1 6.000 . 6.100 3.781 3.203 4.093 . 0 0 "[ . 1]" 1
358 1 31 GLN H 1 31 GLN HB2 3.000 . 3.100 2.471 2.371 2.561 . 0 0 "[ . 1]" 1
359 1 31 GLN H 1 31 GLN HB3 3.000 . 3.100 2.587 2.500 2.705 . 0 0 "[ . 1]" 1
360 1 31 GLN H 1 32 ASP H 3.000 . 3.100 2.784 2.687 2.815 . 0 0 "[ . 1]" 1
361 1 31 GLN HA 1 31 GLN HB2 3.000 . 3.100 2.466 2.424 2.518 . 0 0 "[ . 1]" 1
362 1 31 GLN HA 1 31 GLN QG 3.000 . 3.100 2.333 2.280 2.394 . 0 0 "[ . 1]" 1
363 1 31 GLN HA 1 34 THR HB 6.000 . 6.100 4.687 4.162 5.715 . 0 0 "[ . 1]" 1
364 1 31 GLN HA 1 34 THR MG 6.000 . 6.100 4.366 4.019 4.961 . 0 0 "[ . 1]" 1
365 1 31 GLN HA 1 36 LEU H 4.500 . 4.600 3.264 3.018 3.685 . 0 0 "[ . 1]" 1
366 1 31 GLN HB2 1 32 ASP H 4.500 . 4.600 4.254 4.176 4.345 . 0 0 "[ . 1]" 1
367 1 31 GLN HB2 1 38 PRO HA 6.000 . 6.100 5.034 4.005 6.108 0.008 10 0 "[ . 1]" 1
368 1 31 GLN HB3 1 32 ASP H 4.500 . 4.600 3.325 3.173 3.442 . 0 0 "[ . 1]" 1
369 1 31 GLN QG 1 32 ASP H 6.000 . 6.100 4.106 3.903 4.474 . 0 0 "[ . 1]" 1
370 1 32 ASP H 1 32 ASP HA 3.000 . 3.100 2.933 2.908 2.964 . 0 0 "[ . 1]" 1
371 1 32 ASP H 1 32 ASP QB 3.000 . 3.100 2.436 2.317 2.537 . 0 0 "[ . 1]" 1
372 1 32 ASP H 1 33 LYS H 3.000 . 3.100 2.269 2.157 2.345 . 0 0 "[ . 1]" 1
373 1 32 ASP H 1 33 LYS QB 6.000 . 6.100 4.352 4.151 4.559 . 0 0 "[ . 1]" 1
374 1 32 ASP HA 1 34 THR H 4.500 . 4.600 4.301 4.083 4.606 0.006 10 0 "[ . 1]" 1
375 1 32 ASP QB 1 33 LYS H 4.500 . 4.600 2.746 2.530 3.263 . 0 0 "[ . 1]" 1
376 1 33 LYS H 1 33 LYS QB 3.000 . 3.100 2.445 2.328 2.602 . 0 0 "[ . 1]" 1
377 1 33 LYS H 1 33 LYS QG 3.000 . 3.100 2.429 2.207 2.626 . 0 0 "[ . 1]" 1
378 1 33 LYS H 1 34 THR H 3.000 . 3.100 2.258 1.901 2.462 . 0 0 "[ . 1]" 1
379 1 33 LYS QB 1 34 THR H 4.500 . 4.600 3.023 2.719 3.309 . 0 0 "[ . 1]" 1
380 1 34 THR H 1 34 THR MG 4.500 . 4.600 2.652 2.377 2.898 . 0 0 "[ . 1]" 1
381 1 34 THR H 1 35 GLY H 3.000 . 3.100 2.043 1.959 2.157 . 0 0 "[ . 1]" 1
382 1 34 THR H 1 35 GLY HA3 6.000 . 6.100 4.587 4.252 4.838 . 0 0 "[ . 1]" 1
383 1 34 THR HA 1 34 THR HB 3.000 . 3.100 2.481 2.370 2.544 . 0 0 "[ . 1]" 1
384 1 34 THR HA 1 34 THR MG 3.000 . 3.100 2.354 2.299 2.442 . 0 0 "[ . 1]" 1
385 1 34 THR HB 1 36 LEU H 4.500 . 4.600 3.501 2.423 4.554 . 0 0 "[ . 1]" 1
386 1 34 THR HB 1 36 LEU QD 4.500 . 4.600 2.226 2.114 2.296 . 0 0 "[ . 1]" 1
387 1 34 THR HB 1 36 LEU HG 3.000 . 3.100 2.503 2.340 3.068 . 0 0 "[ . 1]" 1
388 1 34 THR MG 1 69 ILE HB 6.000 . 6.100 4.863 4.241 5.073 . 0 0 "[ . 1]" 1
389 1 34 THR MG 1 69 ILE MD 4.500 . 4.600 2.919 2.720 3.183 . 0 0 "[ . 1]" 1
390 1 35 GLY H 1 35 GLY HA2 3.000 . 3.100 2.308 2.298 2.331 . 0 0 "[ . 1]" 1
391 1 35 GLY H 1 35 GLY HA3 3.000 . 3.100 2.836 2.750 2.905 . 0 0 "[ . 1]" 1
392 1 35 GLY H 1 36 LEU H 4.500 . 4.600 2.839 2.548 3.229 . 0 0 "[ . 1]" 1
393 1 35 GLY HA3 1 36 LEU H 4.500 . 4.600 3.415 3.184 3.578 . 0 0 "[ . 1]" 1
394 1 36 LEU H 1 36 LEU HA 3.000 . 3.100 2.880 2.824 2.903 . 0 0 "[ . 1]" 1
395 1 36 LEU H 1 36 LEU QD 4.500 . 4.600 2.615 1.817 3.261 . 0 0 "[ . 1]" 1
396 1 36 LEU H 1 36 LEU HG 3.000 . 3.100 2.493 2.001 2.880 . 0 0 "[ . 1]" 1
397 1 36 LEU HA 1 36 LEU HB2 3.000 . 3.100 2.886 2.674 3.026 . 0 0 "[ . 1]" 1
398 1 36 LEU HA 1 36 LEU HB3 3.000 . 3.100 2.433 2.306 2.612 . 0 0 "[ . 1]" 1
399 1 36 LEU HA 1 37 PRO HB3 6.000 . 6.100 5.147 4.803 5.668 . 0 0 "[ . 1]" 1
400 1 36 LEU HA 1 37 PRO QD 3.000 . 3.100 2.124 2.077 2.153 . 0 0 "[ . 1]" 1
401 1 36 LEU HA 1 37 PRO QG 6.000 . 6.100 4.056 4.012 4.085 . 0 0 "[ . 1]" 1
402 1 36 LEU HB2 1 36 LEU MD1 3.000 . 3.100 2.276 2.211 2.365 . 0 0 "[ . 1]" 1
403 1 36 LEU HB2 1 37 PRO QD 4.500 . 4.600 3.194 2.277 4.087 . 0 0 "[ . 1]" 1
404 1 36 LEU HB3 1 36 LEU MD2 3.000 . 3.100 2.296 2.214 2.436 . 0 0 "[ . 1]" 1
405 1 36 LEU HB3 1 37 PRO HA 6.000 . 6.100 5.400 4.848 6.035 . 0 0 "[ . 1]" 1
406 1 36 LEU HB3 1 37 PRO QD 4.500 . 4.600 2.635 2.309 3.031 . 0 0 "[ . 1]" 1
407 1 36 LEU QD 1 37 PRO QD 6.000 . 6.100 2.908 2.228 3.474 . 0 0 "[ . 1]" 1
408 1 36 LEU QD 1 40 GLN QB 4.500 . 4.600 2.543 2.167 2.932 . 0 0 "[ . 1]" 1
409 1 36 LEU QD 1 40 GLN QG 6.000 . 6.100 3.679 2.761 3.937 . 0 0 "[ . 1]" 1
410 1 36 LEU MD1 1 37 PRO QD 6.000 . 6.100 4.007 3.749 4.454 . 0 0 "[ . 1]" 1
411 1 36 LEU MD2 1 37 PRO QD 6.000 . 6.100 3.156 2.238 4.069 . 0 0 "[ . 1]" 1
412 1 36 LEU MD2 1 40 GLN QB 4.500 . 4.600 2.745 2.244 3.223 . 0 0 "[ . 1]" 1
413 1 36 LEU MD2 1 40 GLN QG 6.000 . 6.100 3.859 2.810 4.311 . 0 0 "[ . 1]" 1
414 1 36 LEU MD2 1 71 TRP QB 6.000 . 6.100 3.979 3.471 4.287 . 0 0 "[ . 1]" 1
415 1 36 LEU MD2 1 71 TRP HD1 6.000 . 6.100 3.302 2.207 3.941 . 0 0 "[ . 1]" 1
416 1 36 LEU HG 1 37 PRO QD 6.000 . 6.100 4.402 3.891 4.707 . 0 0 "[ . 1]" 1
417 1 37 PRO HA 1 37 PRO HB3 3.000 . 3.100 2.324 2.302 2.341 . 0 0 "[ . 1]" 1
418 1 37 PRO HA 1 38 PRO QD 3.000 . 3.100 2.157 2.105 2.187 . 0 0 "[ . 1]" 1
419 1 37 PRO HA 1 38 PRO QG 6.000 . 6.100 4.084 4.014 4.121 . 0 0 "[ . 1]" 1
420 1 37 PRO HB2 1 38 PRO QD 4.500 . 4.600 2.631 2.300 3.292 . 0 0 "[ . 1]" 1
421 1 37 PRO HB3 1 38 PRO QD 4.500 . 4.600 2.723 2.287 3.178 . 0 0 "[ . 1]" 1
422 1 37 PRO QD 1 40 GLN QB 4.500 . 4.600 2.708 2.283 3.244 . 0 0 "[ . 1]" 1
423 1 37 PRO QD 1 40 GLN QG 6.000 . 6.100 3.292 2.356 3.730 . 0 0 "[ . 1]" 1
424 1 37 PRO QG 1 40 GLN H 6.000 . 6.100 3.706 2.884 4.960 . 0 0 "[ . 1]" 1
425 1 38 PRO HA 1 39 ASP H 4.500 . 4.600 3.520 3.463 3.566 . 0 0 "[ . 1]" 1
426 1 38 PRO HA 1 41 GLN H 4.500 . 4.600 3.659 3.132 4.010 . 0 0 "[ . 1]" 1
427 1 38 PRO QB 1 39 ASP H 4.500 . 4.600 3.172 2.644 3.439 . 0 0 "[ . 1]" 1
428 1 38 PRO QD 1 39 ASP H 4.500 . 4.600 2.778 2.508 2.969 . 0 0 "[ . 1]" 1
429 1 39 ASP H 1 39 ASP QB 3.000 . 3.100 2.537 2.272 2.709 . 0 0 "[ . 1]" 1
430 1 39 ASP H 1 40 GLN H 3.000 . 3.100 2.608 2.509 2.721 . 0 0 "[ . 1]" 1
431 1 40 GLN H 1 40 GLN QB 3.000 . 3.100 2.421 2.350 2.559 . 0 0 "[ . 1]" 1
432 1 40 GLN H 1 40 GLN QG 4.500 . 4.600 3.115 2.853 4.157 . 0 0 "[ . 1]" 1
433 1 40 GLN H 1 41 GLN H 3.000 . 3.100 2.242 1.870 2.524 . 0 0 "[ . 1]" 1
434 1 40 GLN HA 1 40 GLN QG 3.000 . 3.100 2.379 2.240 2.679 . 0 0 "[ . 1]" 1
435 1 40 GLN HA 1 41 GLN H 4.500 . 4.600 3.307 3.134 3.579 . 0 0 "[ . 1]" 1
436 1 41 GLN H 1 41 GLN HA 3.000 . 3.100 2.872 2.647 2.973 . 0 0 "[ . 1]" 1
437 1 41 GLN H 1 41 GLN QG 4.500 . 4.600 2.947 1.848 4.146 . 0 0 "[ . 1]" 1
438 1 41 GLN H 1 42 ARG QB 6.000 . 6.100 4.995 4.719 5.376 . 0 0 "[ . 1]" 1
439 1 41 GLN HA 1 41 GLN QG 3.000 . 3.100 2.378 2.275 2.667 . 0 0 "[ . 1]" 1
440 1 41 GLN HA 1 42 ARG H 3.000 . 3.100 2.218 2.138 2.352 . 0 0 "[ . 1]" 1
441 1 41 GLN QG 1 42 ARG H 4.500 . 4.600 3.606 2.136 4.240 . 0 0 "[ . 1]" 1
442 1 42 ARG H 1 43 LEU QD 6.000 . 6.100 3.697 3.351 4.200 . 0 0 "[ . 1]" 1
443 1 42 ARG HA 1 42 ARG QG 3.000 . 3.100 2.340 2.242 2.533 . 0 0 "[ . 1]" 1
444 1 42 ARG HA 1 43 LEU H 3.000 . 3.100 2.172 2.131 2.205 . 0 0 "[ . 1]" 1
445 1 42 ARG HA 1 43 LEU QD 6.000 . 6.100 4.132 3.909 4.242 . 0 0 "[ . 1]" 1
446 1 42 ARG HA 1 43 LEU HG 4.500 . 4.600 3.650 3.481 3.731 . 0 0 "[ . 1]" 1
447 1 42 ARG QB 1 70 VAL H 4.500 . 4.600 2.749 2.241 3.222 . 0 0 "[ . 1]" 1
448 1 42 ARG QB 1 70 VAL HA 6.000 . 6.100 4.777 4.368 5.256 . 0 0 "[ . 1]" 1
449 1 42 ARG QB 1 70 VAL MG1 6.000 . 6.100 3.874 3.662 4.276 . 0 0 "[ . 1]" 1
450 1 42 ARG QB 1 70 VAL QG 4.500 . 4.600 2.578 2.130 2.838 . 0 0 "[ . 1]" 1
451 1 42 ARG QB 1 70 VAL MG2 4.500 . 4.600 2.632 2.136 2.923 . 0 0 "[ . 1]" 1
452 1 42 ARG QB 1 71 TRP HA 6.000 . 6.100 5.300 5.031 5.520 . 0 0 "[ . 1]" 1
453 1 42 ARG QG 1 43 LEU H 3.000 . 3.100 2.616 2.242 2.820 . 0 0 "[ . 1]" 1
454 1 42 ARG QG 1 44 ILE MD 4.500 . 4.600 2.924 2.644 3.101 . 0 0 "[ . 1]" 1
455 1 42 ARG QG 1 70 VAL QG 6.000 . 6.100 3.079 2.646 3.591 . 0 0 "[ . 1]" 1
456 1 42 ARG QG 1 70 VAL MG2 6.000 . 6.100 3.130 2.668 3.685 . 0 0 "[ . 1]" 1
457 1 43 LEU H 1 43 LEU QD 4.500 . 4.600 3.395 3.189 3.536 . 0 0 "[ . 1]" 1
458 1 43 LEU H 1 43 LEU HG 4.500 . 4.600 2.779 2.533 3.024 . 0 0 "[ . 1]" 1
459 1 43 LEU H 1 44 ILE MD 6.000 . 6.100 4.984 4.764 5.067 . 0 0 "[ . 1]" 1
460 1 43 LEU HA 1 43 LEU HB3 3.000 . 3.100 2.449 2.418 2.481 . 0 0 "[ . 1]" 1
461 1 43 LEU HA 1 44 ILE H 3.000 . 3.100 2.132 2.098 2.145 . 0 0 "[ . 1]" 1
462 1 43 LEU HB3 1 44 ILE H 4.500 . 4.600 3.242 3.118 3.432 . 0 0 "[ . 1]" 1
463 1 43 LEU HB3 1 50 LEU MD1 3.000 . 3.100 2.289 2.270 2.353 . 0 0 "[ . 1]" 1
464 1 44 ILE H 1 44 ILE HB 3.000 . 3.100 2.720 2.686 2.760 . 0 0 "[ . 1]" 1
465 1 44 ILE H 1 44 ILE QG 4.500 . 4.600 3.163 3.084 3.239 . 0 0 "[ . 1]" 1
466 1 44 ILE H 1 68 HIS HB3 6.000 . 6.100 4.481 4.251 4.693 . 0 0 "[ . 1]" 1
467 1 44 ILE HA 1 44 ILE QG 3.000 . 3.100 2.381 2.354 2.404 . 0 0 "[ . 1]" 1
468 1 44 ILE HA 1 44 ILE MG 3.000 . 3.100 2.397 2.357 2.437 . 0 0 "[ . 1]" 1
469 1 44 ILE HA 1 45 PHE H 3.000 . 3.100 2.149 2.135 2.166 . 0 0 "[ . 1]" 1
470 1 44 ILE HA 1 48 LYS HA 6.000 . 6.100 5.424 5.233 5.530 . 0 0 "[ . 1]" 1
471 1 44 ILE HA 1 49 GLN HB2 6.000 . 6.100 4.713 4.568 4.893 . 0 0 "[ . 1]" 1
472 1 44 ILE HA 1 49 GLN QG 6.000 . 6.100 4.110 3.828 4.334 . 0 0 "[ . 1]" 1
473 1 44 ILE HA 1 50 LEU MD1 6.000 . 6.100 3.976 3.867 4.081 . 0 0 "[ . 1]" 1
474 1 44 ILE HA 1 50 LEU MD2 6.000 . 6.100 3.751 3.632 3.869 . 0 0 "[ . 1]" 1
475 1 44 ILE HA 1 50 LEU HG 4.500 . 4.600 2.867 2.730 3.002 . 0 0 "[ . 1]" 1
476 1 44 ILE HB 1 44 ILE MD 3.000 . 3.100 2.279 2.237 2.325 . 0 0 "[ . 1]" 1
477 1 44 ILE HB 1 45 PHE HA 6.000 . 6.100 4.968 4.924 5.039 . 0 0 "[ . 1]" 1
478 1 44 ILE HB 1 68 HIS HB2 3.000 . 3.100 2.315 2.286 2.339 . 0 0 "[ . 1]" 1
479 1 44 ILE HB 1 68 HIS HB3 4.500 . 4.600 3.690 3.595 3.835 . 0 0 "[ . 1]" 1
480 1 44 ILE MD 1 47 GLY HA2 6.000 . 6.100 4.201 4.011 4.376 . 0 0 "[ . 1]" 1
481 1 44 ILE MD 1 49 GLN HB2 6.000 . 6.100 3.846 3.754 4.002 . 0 0 "[ . 1]" 1
482 1 44 ILE MD 1 49 GLN QG 6.000 . 6.100 3.895 3.582 4.138 . 0 0 "[ . 1]" 1
483 1 44 ILE MD 1 68 HIS HB2 4.500 . 4.600 3.602 3.473 3.730 . 0 0 "[ . 1]" 1
484 1 44 ILE MD 1 68 HIS HB3 6.000 . 6.100 4.133 4.006 4.256 . 0 0 "[ . 1]" 1
485 1 44 ILE QG 1 48 LYS HA 6.000 . 6.100 5.122 5.012 5.167 . 0 0 "[ . 1]" 1
486 1 44 ILE QG 1 49 GLN HB2 4.500 . 4.600 2.955 2.845 3.197 . 0 0 "[ . 1]" 1
487 1 44 ILE QG 1 49 GLN QG 4.500 . 4.600 2.890 2.546 3.156 . 0 0 "[ . 1]" 1
488 1 44 ILE QG 1 68 HIS HB2 6.000 . 6.100 4.161 4.017 4.422 . 0 0 "[ . 1]" 1
489 1 44 ILE QG 1 68 HIS HB3 6.000 . 6.100 5.295 5.134 5.446 . 0 0 "[ . 1]" 1
490 1 44 ILE MG 1 45 PHE H 4.500 . 4.600 2.656 2.561 2.752 . 0 0 "[ . 1]" 1
491 1 44 ILE MG 1 45 PHE HA 4.500 . 4.600 3.640 3.580 3.678 . 0 0 "[ . 1]" 1
492 1 44 ILE MG 1 45 PHE HB2 6.000 . 6.100 4.916 4.856 4.968 . 0 0 "[ . 1]" 1
493 1 44 ILE MG 1 45 PHE HB3 6.000 . 6.100 4.722 4.674 4.781 . 0 0 "[ . 1]" 1
494 1 44 ILE MG 1 47 GLY H 3.000 . 3.100 2.364 2.213 2.454 . 0 0 "[ . 1]" 1
495 1 44 ILE MG 1 47 GLY HA2 3.000 . 3.100 2.317 2.175 2.412 . 0 0 "[ . 1]" 1
496 1 44 ILE MG 1 47 GLY HA3 4.500 . 4.600 3.568 3.445 3.674 . 0 0 "[ . 1]" 1
497 1 44 ILE MG 1 48 LYS H 4.500 . 4.600 3.160 2.776 3.419 . 0 0 "[ . 1]" 1
498 1 44 ILE MG 1 48 LYS HA 6.000 . 6.100 3.850 3.665 3.963 . 0 0 "[ . 1]" 1
499 1 44 ILE MG 1 49 GLN HB2 6.000 . 6.100 4.096 3.973 4.329 . 0 0 "[ . 1]" 1
500 1 44 ILE MG 1 68 HIS HB2 4.500 . 4.600 3.583 3.005 3.789 . 0 0 "[ . 1]" 1
501 1 44 ILE MG 1 68 HIS HB3 6.000 . 6.100 4.651 4.230 4.828 . 0 0 "[ . 1]" 1
502 1 45 PHE H 1 45 PHE HB3 3.000 . 3.100 2.629 2.598 2.682 . 0 0 "[ . 1]" 1
503 1 45 PHE H 1 48 LYS H 4.500 . 4.600 3.567 3.075 3.854 . 0 0 "[ . 1]" 1
504 1 45 PHE H 1 50 LEU MD2 4.500 . 4.600 3.128 2.949 3.201 . 0 0 "[ . 1]" 1
505 1 45 PHE HA 1 45 PHE HB2 3.000 . 3.100 2.483 2.458 2.507 . 0 0 "[ . 1]" 1
506 1 45 PHE HA 1 45 PHE QD 3.000 . 3.100 2.359 2.315 2.444 . 0 0 "[ . 1]" 1
507 1 45 PHE HA 1 50 LEU MD2 6.000 . 6.100 4.899 4.828 4.955 . 0 0 "[ . 1]" 1
508 1 45 PHE HA 1 61 ILE MD 6.000 . 6.100 4.914 4.851 4.958 . 0 0 "[ . 1]" 1
509 1 45 PHE HA 1 66 THR MG 6.000 . 6.100 4.921 4.888 4.946 . 0 0 "[ . 1]" 1
510 1 45 PHE HA 1 67 LEU QD 4.500 . 4.600 3.105 3.058 3.150 . 0 0 "[ . 1]" 1
511 1 45 PHE HB2 1 45 PHE QD 3.000 . 3.100 2.593 2.571 2.618 . 0 0 "[ . 1]" 1
512 1 45 PHE HB2 1 50 LEU MD1 4.500 . 4.600 2.868 2.767 2.932 . 0 0 "[ . 1]" 1
513 1 45 PHE HB2 1 50 LEU MD2 4.500 . 4.600 3.237 3.187 3.296 . 0 0 "[ . 1]" 1
514 1 45 PHE HB2 1 50 LEU HG 4.500 . 4.600 4.242 4.071 4.409 . 0 0 "[ . 1]" 1
515 1 45 PHE HB2 1 61 ILE MD 4.500 . 4.600 2.812 2.766 2.883 . 0 0 "[ . 1]" 1
516 1 45 PHE HB2 1 61 ILE MG 6.000 . 6.100 4.438 4.383 4.507 . 0 0 "[ . 1]" 1
517 1 45 PHE HB2 1 67 LEU HA 4.500 . 4.600 3.727 3.648 3.787 . 0 0 "[ . 1]" 1
518 1 45 PHE HB2 1 67 LEU QD 4.500 . 4.600 2.173 2.148 2.199 . 0 0 "[ . 1]" 1
519 1 45 PHE HB3 1 45 PHE QD 3.000 . 3.100 2.317 2.313 2.320 . 0 0 "[ . 1]" 1
520 1 45 PHE HB3 1 50 LEU MD1 4.500 . 4.600 3.575 3.533 3.607 . 0 0 "[ . 1]" 1
521 1 45 PHE HB3 1 50 LEU MD2 4.500 . 4.600 2.715 2.671 2.789 . 0 0 "[ . 1]" 1
522 1 45 PHE HB3 1 50 LEU HG 4.500 . 4.600 4.360 4.276 4.492 . 0 0 "[ . 1]" 1
523 1 45 PHE HB3 1 61 ILE MD 4.500 . 4.600 2.918 2.806 2.997 . 0 0 "[ . 1]" 1
524 1 45 PHE HB3 1 61 ILE MG 6.000 . 6.100 5.007 4.969 5.053 . 0 0 "[ . 1]" 1
525 1 45 PHE HB3 1 67 LEU HA 6.000 . 6.100 5.281 5.210 5.340 . 0 0 "[ . 1]" 1
526 1 45 PHE HB3 1 67 LEU QD 6.000 . 6.100 3.586 3.554 3.619 . 0 0 "[ . 1]" 1
527 1 45 PHE QD 1 50 LEU MD1 6.000 . 6.100 4.542 4.449 4.586 . 0 0 "[ . 1]" 1
528 1 45 PHE QD 1 50 LEU MD2 6.000 . 6.100 4.097 4.032 4.187 . 0 0 "[ . 1]" 1
529 1 45 PHE QD 1 61 ILE HA 6.000 . 6.100 3.918 3.792 4.117 . 0 0 "[ . 1]" 1
530 1 45 PHE QD 1 61 ILE QG 4.500 . 4.600 2.562 2.497 2.631 . 0 0 "[ . 1]" 1
531 1 45 PHE QD 1 61 ILE MG 6.000 . 6.100 4.063 4.024 4.101 . 0 0 "[ . 1]" 1
532 1 45 PHE QD 1 65 SER HB2 6.000 . 6.100 4.822 4.713 4.901 . 0 0 "[ . 1]" 1
533 1 45 PHE QD 1 65 SER HB3 4.500 . 4.600 3.195 3.051 3.336 . 0 0 "[ . 1]" 1
534 1 45 PHE QD 1 67 LEU HA 4.500 . 4.600 2.848 2.797 2.903 . 0 0 "[ . 1]" 1
535 1 45 PHE QD 1 67 LEU QD 4.500 . 4.600 2.178 2.147 2.195 . 0 0 "[ . 1]" 1
536 1 45 PHE QE 1 61 ILE HA 4.500 . 4.600 2.981 2.819 3.170 . 0 0 "[ . 1]" 1
537 1 45 PHE QE 1 61 ILE MD 6.000 . 6.100 4.533 4.416 4.605 . 0 0 "[ . 1]" 1
538 1 45 PHE QE 1 61 ILE QG 4.500 . 4.600 3.183 3.088 3.265 . 0 0 "[ . 1]" 1
539 1 45 PHE QE 1 65 SER HA 4.500 . 4.600 2.564 2.427 2.751 . 0 0 "[ . 1]" 1
540 1 45 PHE QE 1 65 SER HB2 4.500 . 4.600 3.889 3.806 3.981 . 0 0 "[ . 1]" 1
541 1 45 PHE QE 1 65 SER HB3 4.500 . 4.600 2.423 2.329 2.496 . 0 0 "[ . 1]" 1
542 1 45 PHE QE 1 67 LEU QD 6.000 . 6.100 3.296 3.244 3.339 . 0 0 "[ . 1]" 1
543 1 45 PHE HZ 1 46 ALA MB 6.000 . 6.100 4.100 3.916 4.342 . 0 0 "[ . 1]" 1
544 1 45 PHE HZ 1 61 ILE HA 4.500 . 4.600 3.775 3.481 3.937 . 0 0 "[ . 1]" 1
545 1 45 PHE HZ 1 61 ILE QG 6.000 . 6.100 4.143 3.988 4.289 . 0 0 "[ . 1]" 1
546 1 45 PHE HZ 1 61 ILE MG 6.000 . 6.100 4.207 4.123 4.339 . 0 0 "[ . 1]" 1
547 1 45 PHE HZ 1 62 GLN QG 6.000 . 6.100 4.946 4.656 5.177 . 0 0 "[ . 1]" 1
548 1 45 PHE HZ 1 65 SER HA 4.500 . 4.600 3.400 3.241 3.733 . 0 0 "[ . 1]" 1
549 1 45 PHE HZ 1 65 SER HB2 4.500 . 4.600 4.624 4.608 4.641 0.041 4 0 "[ . 1]" 1
550 1 45 PHE HZ 1 65 SER HB3 4.500 . 4.600 3.587 3.422 3.718 . 0 0 "[ . 1]" 1
551 1 46 ALA H 1 47 GLY H 3.000 . 3.100 2.737 2.653 2.796 . 0 0 "[ . 1]" 1
552 1 46 ALA H 1 47 GLY HA3 6.000 . 6.100 5.361 5.295 5.416 . 0 0 "[ . 1]" 1
553 1 46 ALA HA 1 47 GLY H 4.500 . 4.600 3.032 2.903 3.178 . 0 0 "[ . 1]" 1
554 1 47 GLY H 1 47 GLY HA2 3.000 . 3.100 2.365 2.331 2.430 . 0 0 "[ . 1]" 1
555 1 47 GLY H 1 47 GLY HA3 3.000 . 3.100 2.934 2.904 2.971 . 0 0 "[ . 1]" 1
556 1 47 GLY HA2 1 48 LYS H 4.500 . 4.600 3.427 3.261 3.504 . 0 0 "[ . 1]" 1
557 1 47 GLY HA3 1 48 LYS H 4.500 . 4.600 3.096 2.929 3.311 . 0 0 "[ . 1]" 1
558 1 48 LYS H 1 48 LYS QB 3.000 . 3.100 2.366 2.262 2.458 . 0 0 "[ . 1]" 1
559 1 48 LYS HA 1 48 LYS QG 3.000 . 3.100 2.318 2.255 2.380 . 0 0 "[ . 1]" 1
560 1 48 LYS QB 1 49 GLN H 4.500 . 4.600 3.214 2.971 3.706 . 0 0 "[ . 1]" 1
561 1 48 LYS QB 1 50 LEU MD2 6.000 . 6.100 3.260 3.129 3.414 . 0 0 "[ . 1]" 1
562 1 49 GLN HA 1 50 LEU HG 4.500 . 4.600 3.504 3.435 3.609 . 0 0 "[ . 1]" 1
563 1 49 GLN HB2 1 50 LEU H 4.500 . 4.600 4.172 4.148 4.210 . 0 0 "[ . 1]" 1
564 1 49 GLN QG 1 50 LEU H 3.000 . 3.100 2.544 2.461 2.610 . 0 0 "[ . 1]" 1
565 1 49 GLN QG 1 50 LEU MD2 6.000 . 6.100 4.451 4.415 4.478 . 0 0 "[ . 1]" 1
566 1 49 GLN QG 1 51 GLU HA 6.000 . 6.100 4.487 4.390 4.598 . 0 0 "[ . 1]" 1
567 1 50 LEU H 1 50 LEU MD1 4.500 . 4.600 3.694 3.613 3.782 . 0 0 "[ . 1]" 1
568 1 50 LEU H 1 50 LEU MD2 4.500 . 4.600 2.899 2.807 2.929 . 0 0 "[ . 1]" 1
569 1 50 LEU H 1 50 LEU HG 3.000 . 3.100 2.099 1.962 2.215 . 0 0 "[ . 1]" 1
570 1 50 LEU HA 1 50 LEU MD2 3.000 . 3.100 2.096 2.072 2.145 . 0 0 "[ . 1]" 1
571 1 50 LEU HA 1 51 GLU H 3.000 . 3.100 2.241 2.186 2.324 . 0 0 "[ . 1]" 1
572 1 50 LEU HA 1 51 GLU QG 6.000 . 6.100 3.878 3.496 5.614 . 0 0 "[ . 1]" 1
573 1 50 LEU HA 1 59 TYR QD 6.000 . 6.100 4.113 3.971 4.270 . 0 0 "[ . 1]" 1
574 1 50 LEU HA 1 59 TYR QE 4.500 . 4.600 2.820 2.590 3.033 . 0 0 "[ . 1]" 1
575 1 50 LEU QB 1 50 LEU MD1 3.000 . 3.100 2.107 2.102 2.115 . 0 0 "[ . 1]" 1
576 1 50 LEU QB 1 59 TYR QD 6.000 . 6.100 4.228 4.073 4.372 . 0 0 "[ . 1]" 1
577 1 50 LEU QB 1 59 TYR QE 4.500 . 4.600 3.307 3.101 3.602 . 0 0 "[ . 1]" 1
578 1 50 LEU MD1 1 59 TYR QD 6.000 . 6.100 3.739 3.552 3.947 . 0 0 "[ . 1]" 1
579 1 50 LEU MD1 1 59 TYR QE 6.000 . 6.100 4.014 3.824 4.273 . 0 0 "[ . 1]" 1
580 1 50 LEU MD2 1 54 ARG QB 6.000 . 6.100 4.413 4.376 4.461 . 0 0 "[ . 1]" 1
581 1 50 LEU MD2 1 59 TYR HA 6.000 . 6.100 4.359 4.268 4.478 . 0 0 "[ . 1]" 1
582 1 50 LEU MD2 1 59 TYR HB2 4.500 . 4.600 3.426 3.211 3.592 . 0 0 "[ . 1]" 1
583 1 50 LEU MD2 1 59 TYR HB3 4.500 . 4.600 2.869 2.757 3.042 . 0 0 "[ . 1]" 1
584 1 50 LEU MD2 1 59 TYR QD 4.500 . 4.600 2.671 2.537 2.745 . 0 0 "[ . 1]" 1
585 1 50 LEU MD2 1 59 TYR QE 4.500 . 4.600 2.784 2.668 2.890 . 0 0 "[ . 1]" 1
586 1 50 LEU HG 1 59 TYR QD 6.000 . 6.100 5.212 5.020 5.325 . 0 0 "[ . 1]" 1
587 1 51 GLU HA 1 51 GLU QG 3.000 . 3.100 2.357 2.274 2.818 . 0 0 "[ . 1]" 1
588 1 52 ASP H 1 52 ASP QB 3.000 . 3.100 2.390 2.245 2.669 . 0 0 "[ . 1]" 1
589 1 53 GLY QA 1 54 ARG H 4.500 . 4.600 2.906 2.876 2.929 . 0 0 "[ . 1]" 1
590 1 54 ARG H 1 54 ARG QB 3.000 . 3.100 2.539 2.316 2.600 . 0 0 "[ . 1]" 1
591 1 54 ARG H 1 54 ARG QD 6.000 . 6.100 4.172 2.262 4.531 . 0 0 "[ . 1]" 1
592 1 54 ARG H 1 54 ARG QG 4.500 . 4.600 3.191 3.029 3.511 . 0 0 "[ . 1]" 1
593 1 54 ARG HA 1 54 ARG QD 4.500 . 4.600 3.398 2.263 4.125 . 0 0 "[ . 1]" 1
594 1 54 ARG HA 1 54 ARG QG 3.000 . 3.100 2.376 2.250 2.630 . 0 0 "[ . 1]" 1
595 1 54 ARG HA 1 55 THR MG 6.000 . 6.100 3.699 3.547 3.935 . 0 0 "[ . 1]" 1
596 1 54 ARG HA 1 59 TYR QE 6.000 . 6.100 4.495 4.381 4.582 . 0 0 "[ . 1]" 1
597 1 54 ARG QB 1 54 ARG QD 3.000 . 3.100 2.200 2.126 2.370 . 0 0 "[ . 1]" 1
598 1 54 ARG QB 1 55 THR H 4.500 . 4.600 2.855 2.413 3.186 . 0 0 "[ . 1]" 1
599 1 54 ARG QB 1 59 TYR QD 6.000 . 6.100 3.611 3.468 3.739 . 0 0 "[ . 1]" 1
600 1 54 ARG QD 1 55 THR H 6.000 . 6.100 4.541 3.211 5.269 . 0 0 "[ . 1]" 1
601 1 54 ARG QD 1 59 TYR QE 4.500 . 4.600 3.273 2.904 3.879 . 0 0 "[ . 1]" 1
602 1 54 ARG QG 1 59 TYR QE 6.000 . 6.100 3.874 3.332 4.194 . 0 0 "[ . 1]" 1
603 1 55 THR H 1 55 THR HA 3.000 . 3.100 2.951 2.920 2.972 . 0 0 "[ . 1]" 1
604 1 55 THR H 1 55 THR MG 4.500 . 4.600 2.744 2.581 3.029 . 0 0 "[ . 1]" 1
605 1 55 THR HA 1 55 THR HB 3.000 . 3.100 2.541 2.504 2.585 . 0 0 "[ . 1]" 1
606 1 55 THR HA 1 55 THR MG 3.000 . 3.100 2.278 2.233 2.315 . 0 0 "[ . 1]" 1
607 1 55 THR HA 1 56 LEU H 3.000 . 3.100 2.524 2.431 2.607 . 0 0 "[ . 1]" 1
608 1 55 THR HB 1 56 LEU H 3.000 . 3.100 2.169 2.001 2.363 . 0 0 "[ . 1]" 1
609 1 55 THR HB 1 57 SER H 3.000 . 3.100 2.676 2.547 2.786 . 0 0 "[ . 1]" 1
610 1 55 THR HB 1 58 ASP H 4.500 . 4.600 3.924 3.791 4.058 . 0 0 "[ . 1]" 1
611 1 55 THR MG 1 58 ASP H 6.000 . 6.100 4.773 4.640 4.911 . 0 0 "[ . 1]" 1
612 1 56 LEU H 1 56 LEU HA 3.000 . 3.100 2.838 2.823 2.853 . 0 0 "[ . 1]" 1
613 1 56 LEU H 1 56 LEU QB 3.000 . 3.100 2.515 2.427 2.557 . 0 0 "[ . 1]" 1
614 1 56 LEU H 1 56 LEU QD 4.500 . 4.600 2.885 2.806 3.055 . 0 0 "[ . 1]" 1
615 1 56 LEU H 1 56 LEU HG 3.000 . 3.100 1.945 1.865 2.128 . 0 0 "[ . 1]" 1
616 1 56 LEU H 1 57 SER H 3.000 . 3.100 2.571 2.522 2.635 . 0 0 "[ . 1]" 1
617 1 56 LEU H 1 58 ASP H 4.500 . 4.600 3.994 3.922 4.062 . 0 0 "[ . 1]" 1
618 1 56 LEU HA 1 56 LEU MD2 3.000 . 3.100 2.158 2.122 2.246 . 0 0 "[ . 1]" 1
619 1 56 LEU HA 1 56 LEU HG 3.000 . 3.100 3.066 2.828 3.164 0.064 6 0 "[ . 1]" 1
620 1 56 LEU HA 1 57 SER H 4.500 . 4.600 3.509 3.490 3.526 . 0 0 "[ . 1]" 1
621 1 56 LEU HA 1 59 TYR H 4.500 . 4.600 3.278 3.198 3.390 . 0 0 "[ . 1]" 1
622 1 56 LEU HA 1 59 TYR HB2 4.500 . 4.600 3.051 2.957 3.240 . 0 0 "[ . 1]" 1
623 1 56 LEU HA 1 59 TYR HB3 6.000 . 6.100 4.787 4.700 4.968 . 0 0 "[ . 1]" 1
624 1 56 LEU HA 1 59 TYR QD 4.500 . 4.600 2.676 2.418 2.962 . 0 0 "[ . 1]" 1
625 1 56 LEU HA 1 61 ILE HB 4.500 . 4.600 2.817 2.579 3.062 . 0 0 "[ . 1]" 1
626 1 56 LEU HA 1 61 ILE MD 4.500 . 4.600 2.694 2.534 2.809 . 0 0 "[ . 1]" 1
627 1 56 LEU QB 1 56 LEU MD1 3.000 . 3.100 2.097 2.088 2.105 . 0 0 "[ . 1]" 1
628 1 56 LEU QB 1 57 SER H 3.000 . 3.100 2.612 2.559 2.670 . 0 0 "[ . 1]" 1
629 1 56 LEU QB 1 61 ILE HB 3.000 . 3.100 2.307 2.293 2.315 . 0 0 "[ . 1]" 1
630 1 56 LEU QB 1 61 ILE MG 4.500 . 4.600 2.888 2.788 2.942 . 0 0 "[ . 1]" 1
631 1 56 LEU MD2 1 61 ILE MD 4.500 . 4.600 2.218 2.107 2.315 . 0 0 "[ . 1]" 1
632 1 56 LEU HG 1 61 ILE MD 6.000 . 6.100 4.572 4.266 4.786 . 0 0 "[ . 1]" 1
633 1 56 LEU HG 1 61 ILE MG 6.000 . 6.100 4.851 4.675 4.958 . 0 0 "[ . 1]" 1
634 1 57 SER H 1 57 SER HA 3.000 . 3.100 2.821 2.809 2.832 . 0 0 "[ . 1]" 1
635 1 57 SER H 1 57 SER QB 3.000 . 3.100 2.382 2.259 2.560 . 0 0 "[ . 1]" 1
636 1 57 SER H 1 58 ASP H 3.000 . 3.100 2.651 2.623 2.692 . 0 0 "[ . 1]" 1
637 1 57 SER HA 1 59 TYR H 4.500 . 4.600 4.521 4.343 4.623 0.023 2 0 "[ . 1]" 1
638 1 57 SER QB 1 58 ASP H 4.500 . 4.600 3.429 3.022 3.721 . 0 0 "[ . 1]" 1
639 1 58 ASP H 1 58 ASP HA 3.000 . 3.100 2.910 2.893 2.920 . 0 0 "[ . 1]" 1
640 1 58 ASP H 1 58 ASP HB2 3.000 . 3.100 2.354 2.262 2.549 . 0 0 "[ . 1]" 1
641 1 58 ASP H 1 59 TYR H 3.000 . 3.100 2.371 2.321 2.418 . 0 0 "[ . 1]" 1
642 1 58 ASP HA 1 58 ASP HB2 3.000 . 3.100 2.970 2.537 3.022 . 0 0 "[ . 1]" 1
643 1 58 ASP HA 1 58 ASP HB3 3.000 . 3.100 2.603 2.536 3.020 . 0 0 "[ . 1]" 1
644 1 58 ASP HB2 1 59 TYR H 4.500 . 4.600 2.752 2.554 3.773 . 0 0 "[ . 1]" 1
645 1 58 ASP HB2 1 59 TYR QD 6.000 . 6.100 3.842 3.361 5.067 . 0 0 "[ . 1]" 1
646 1 58 ASP HB2 1 59 TYR QE 6.000 . 6.100 4.252 3.733 5.373 . 0 0 "[ . 1]" 1
647 1 58 ASP HB3 1 59 TYR QD 4.500 . 4.600 4.448 3.653 4.567 . 0 0 "[ . 1]" 1
648 1 58 ASP HB3 1 59 TYR QE 6.000 . 6.100 4.699 4.049 4.897 . 0 0 "[ . 1]" 1
649 1 59 TYR H 1 59 TYR HB2 3.000 . 3.100 2.425 2.381 2.457 . 0 0 "[ . 1]" 1
650 1 59 TYR H 1 60 ASN H 3.000 . 3.100 2.496 2.418 2.565 . 0 0 "[ . 1]" 1
651 1 59 TYR H 1 61 ILE MD 6.000 . 6.100 4.103 3.960 4.162 . 0 0 "[ . 1]" 1
652 1 59 TYR HA 1 59 TYR HB3 3.000 . 3.100 2.481 2.461 2.513 . 0 0 "[ . 1]" 1
653 1 59 TYR HA 1 59 TYR QD 3.000 . 3.100 2.440 2.340 2.657 . 0 0 "[ . 1]" 1
654 1 59 TYR HA 1 60 ASN HA 6.000 . 6.100 5.139 5.121 5.166 . 0 0 "[ . 1]" 1
655 1 59 TYR HA 1 61 ILE MD 6.000 . 6.100 4.664 4.586 4.727 . 0 0 "[ . 1]" 1
656 1 59 TYR HB2 1 59 TYR QD 3.000 . 3.100 2.324 2.312 2.349 . 0 0 "[ . 1]" 1
657 1 59 TYR HB2 1 60 ASN H 4.500 . 4.600 3.537 3.419 3.637 . 0 0 "[ . 1]" 1
658 1 59 TYR HB2 1 61 ILE MD 3.000 . 3.100 2.254 2.203 2.339 . 0 0 "[ . 1]" 1
659 1 59 TYR HB2 1 61 ILE QG 3.000 . 3.100 2.306 2.290 2.324 . 0 0 "[ . 1]" 1
660 1 59 TYR HB3 1 59 TYR QD 3.000 . 3.100 2.573 2.494 2.609 . 0 0 "[ . 1]" 1
661 1 59 TYR HB3 1 61 ILE MD 4.500 . 4.600 2.746 2.612 2.879 . 0 0 "[ . 1]" 1
662 1 59 TYR HB3 1 61 ILE QG 4.500 . 4.600 2.432 2.310 2.590 . 0 0 "[ . 1]" 1
663 1 60 ASN H 1 60 ASN HA 3.000 . 3.100 2.298 2.294 2.305 . 0 0 "[ . 1]" 1
664 1 60 ASN H 1 61 ILE H 3.000 . 3.100 2.606 2.550 2.677 . 0 0 "[ . 1]" 1
665 1 60 ASN HA 1 61 ILE H 3.000 . 3.100 2.991 2.971 3.005 . 0 0 "[ . 1]" 1
666 1 61 ILE H 1 61 ILE HA 3.000 . 3.100 2.871 2.857 2.882 . 0 0 "[ . 1]" 1
667 1 61 ILE H 1 61 ILE HB 3.000 . 3.100 2.306 2.276 2.347 . 0 0 "[ . 1]" 1
668 1 61 ILE H 1 61 ILE MD 4.500 . 4.600 3.482 3.424 3.518 . 0 0 "[ . 1]" 1
669 1 61 ILE H 1 61 ILE QG 3.000 . 3.100 2.475 2.424 2.497 . 0 0 "[ . 1]" 1
670 1 61 ILE HA 1 61 ILE QG 3.000 . 3.100 2.310 2.289 2.330 . 0 0 "[ . 1]" 1
671 1 61 ILE HA 1 61 ILE MG 3.000 . 3.100 2.458 2.420 2.484 . 0 0 "[ . 1]" 1
672 1 61 ILE HA 1 62 GLN H 3.000 . 3.100 2.152 2.122 2.186 . 0 0 "[ . 1]" 1
673 1 61 ILE HA 1 62 GLN QG 4.500 . 4.600 3.492 3.376 3.633 . 0 0 "[ . 1]" 1
674 1 61 ILE HB 1 61 ILE MD 3.000 . 3.100 2.263 2.231 2.321 . 0 0 "[ . 1]" 1
675 1 61 ILE MD 1 62 GLN H 6.000 . 6.100 5.060 4.961 5.132 . 0 0 "[ . 1]" 1
676 1 61 ILE QG 1 65 SER HB2 6.000 . 6.100 4.343 4.247 4.466 . 0 0 "[ . 1]" 1
677 1 61 ILE MG 1 62 GLN HA 6.000 . 6.100 3.685 3.555 3.824 . 0 0 "[ . 1]" 1
678 1 61 ILE MG 1 65 SER HA 6.000 . 6.100 4.330 4.282 4.392 . 0 0 "[ . 1]" 1
679 1 61 ILE MG 1 65 SER HB2 3.000 . 3.100 2.307 2.267 2.352 . 0 0 "[ . 1]" 1
680 1 61 ILE MG 1 65 SER HB3 4.500 . 4.600 2.494 2.414 2.596 . 0 0 "[ . 1]" 1
681 1 62 GLN H 1 62 GLN HB2 3.000 . 3.100 2.613 2.473 2.686 . 0 0 "[ . 1]" 1
682 1 62 GLN H 1 62 GLN QG 3.000 . 3.100 2.540 2.457 2.604 . 0 0 "[ . 1]" 1
683 1 62 GLN HA 1 62 GLN HB3 3.000 . 3.100 2.426 2.393 2.468 . 0 0 "[ . 1]" 1
684 1 62 GLN HA 1 62 GLN QG 3.000 . 3.100 2.419 2.359 2.461 . 0 0 "[ . 1]" 1
685 1 62 GLN HA 1 63 LYS HA 4.500 . 4.600 4.367 4.340 4.384 . 0 0 "[ . 1]" 1
686 1 62 GLN HB2 1 63 LYS H 4.500 . 4.600 2.638 2.409 2.970 . 0 0 "[ . 1]" 1
687 1 62 GLN HB3 1 63 LYS H 3.000 . 3.100 1.829 1.778 1.905 0.022 7 0 "[ . 1]" 1
688 1 63 LYS H 1 63 LYS HA 3.000 . 3.100 2.883 2.855 2.904 . 0 0 "[ . 1]" 1
689 1 63 LYS H 1 63 LYS QB 3.000 . 3.100 2.253 2.231 2.278 . 0 0 "[ . 1]" 1
690 1 63 LYS H 1 63 LYS QG 4.500 . 4.600 3.945 3.926 3.967 . 0 0 "[ . 1]" 1
691 1 63 LYS H 1 64 GLU H 4.500 . 4.600 4.612 4.603 4.627 0.027 5 0 "[ . 1]" 1
692 1 63 LYS HA 1 63 LYS QG 3.000 . 3.100 2.247 2.237 2.285 . 0 0 "[ . 1]" 1
693 1 63 LYS HA 1 64 GLU H 3.000 . 3.100 2.313 2.263 2.387 . 0 0 "[ . 1]" 1
694 1 63 LYS HA 1 64 GLU HA 6.000 . 6.100 4.468 4.448 4.497 . 0 0 "[ . 1]" 1
695 1 63 LYS HA 1 65 SER H 4.500 . 4.600 3.273 3.138 3.485 . 0 0 "[ . 1]" 1
696 1 63 LYS QG 1 64 GLU HA 4.500 . 4.600 3.692 3.607 3.776 . 0 0 "[ . 1]" 1
697 1 63 LYS QG 1 64 GLU QB 6.000 . 6.100 3.863 3.839 3.892 . 0 0 "[ . 1]" 1
698 1 63 LYS QG 1 64 GLU QG 3.000 . 3.100 2.119 2.106 2.135 . 0 0 "[ . 1]" 1
699 1 64 GLU H 1 64 GLU HA 3.000 . 3.100 2.296 2.290 2.306 . 0 0 "[ . 1]" 1
700 1 64 GLU H 1 64 GLU QG 3.000 . 3.100 2.532 2.463 2.611 . 0 0 "[ . 1]" 1
701 1 64 GLU H 1 65 SER H 4.500 . 4.600 2.741 2.661 2.834 . 0 0 "[ . 1]" 1
702 1 64 GLU HA 1 64 GLU QG 3.000 . 3.100 2.531 2.497 2.579 . 0 0 "[ . 1]" 1
703 1 64 GLU HA 1 65 SER H 3.000 . 3.100 3.009 2.887 3.090 . 0 0 "[ . 1]" 1
704 1 65 SER H 1 65 SER HB2 3.000 . 3.100 2.165 2.128 2.241 . 0 0 "[ . 1]" 1
705 1 65 SER HA 1 65 SER HB2 3.000 . 3.100 2.973 2.957 2.996 . 0 0 "[ . 1]" 1
706 1 65 SER HA 1 65 SER HB3 3.000 . 3.100 2.696 2.643 2.731 . 0 0 "[ . 1]" 1
707 1 65 SER HA 1 67 LEU QD 6.000 . 6.100 3.994 3.960 4.031 . 0 0 "[ . 1]" 1
708 1 65 SER HB2 1 67 LEU QD 4.500 . 4.600 3.127 3.029 3.181 . 0 0 "[ . 1]" 1
709 1 65 SER HB3 1 67 LEU QD 4.500 . 4.600 2.552 2.489 2.676 . 0 0 "[ . 1]" 1
710 1 66 THR H 1 66 THR HA 3.000 . 3.100 2.894 2.886 2.904 . 0 0 "[ . 1]" 1
711 1 66 THR H 1 66 THR HB 3.000 . 3.100 2.294 2.205 2.341 . 0 0 "[ . 1]" 1
712 1 66 THR HA 1 67 LEU H 3.000 . 3.100 2.119 2.110 2.133 . 0 0 "[ . 1]" 1
713 1 66 THR HA 1 67 LEU QD 4.500 . 4.600 2.884 2.864 2.911 . 0 0 "[ . 1]" 1
714 1 66 THR MG 1 67 LEU H 4.500 . 4.600 2.958 2.913 2.982 . 0 0 "[ . 1]" 1
715 1 66 THR MG 1 67 LEU QB 6.000 . 6.100 4.361 4.319 4.380 . 0 0 "[ . 1]" 1
716 1 67 LEU H 1 67 LEU QB 3.000 . 3.100 2.347 2.319 2.372 . 0 0 "[ . 1]" 1
717 1 67 LEU H 1 67 LEU MD1 4.500 . 4.600 3.717 3.671 3.760 . 0 0 "[ . 1]" 1
718 1 67 LEU HA 1 68 HIS H 3.000 . 3.100 2.684 2.188 2.831 . 0 0 "[ . 1]" 1
719 1 67 LEU QB 1 68 HIS H 4.500 . 4.600 2.044 1.782 3.538 0.018 6 0 "[ . 1]" 1
720 1 68 HIS H 1 68 HIS HB2 3.000 . 3.100 2.820 2.488 2.969 . 0 0 "[ . 1]" 1
721 1 68 HIS H 1 68 HIS HD2 4.500 . 4.600 4.505 4.207 4.645 0.045 9 0 "[ . 1]" 1
722 1 68 HIS HA 1 68 HIS HB3 3.000 . 3.100 2.487 2.413 2.558 . 0 0 "[ . 1]" 1
723 1 68 HIS HA 1 68 HIS HD2 4.500 . 4.600 3.117 2.337 4.592 . 0 0 "[ . 1]" 1
724 1 68 HIS HA 1 69 ILE H 3.000 . 3.100 2.138 2.122 2.171 . 0 0 "[ . 1]" 1
725 1 68 HIS HA 1 69 ILE HA 4.500 . 4.600 4.427 4.416 4.448 . 0 0 "[ . 1]" 1
726 1 68 HIS HB2 1 70 VAL QG 6.000 . 6.100 3.786 3.530 4.235 . 0 0 "[ . 1]" 1
727 1 68 HIS HB2 1 70 VAL MG2 6.000 . 6.100 3.948 3.554 4.841 . 0 0 "[ . 1]" 1
728 1 68 HIS HB3 1 70 VAL QG 6.000 . 6.100 3.220 2.974 3.494 . 0 0 "[ . 1]" 1
729 1 68 HIS HB3 1 70 VAL MG2 6.000 . 6.100 3.452 2.991 4.218 . 0 0 "[ . 1]" 1
730 1 69 ILE H 1 69 ILE MG 4.500 . 4.600 3.637 2.947 3.818 . 0 0 "[ . 1]" 1
731 1 69 ILE HA 1 69 ILE HB 3.000 . 3.100 2.945 2.593 3.034 . 0 0 "[ . 1]" 1
732 1 69 ILE HA 1 70 VAL H 3.000 . 3.100 2.160 2.133 2.192 . 0 0 "[ . 1]" 1
733 1 69 ILE HB 1 69 ILE MD 3.000 . 3.100 2.295 2.244 2.336 . 0 0 "[ . 1]" 1
734 1 70 VAL H 1 70 VAL MG2 3.000 . 3.100 2.135 1.890 2.317 . 0 0 "[ . 1]" 1
735 1 70 VAL HA 1 70 VAL HB 3.000 . 3.100 2.925 2.518 3.025 . 0 0 "[ . 1]" 1
736 1 70 VAL HA 1 70 VAL MG1 3.000 . 3.100 2.272 2.241 2.329 . 0 0 "[ . 1]" 1
737 1 70 VAL HA 1 70 VAL QG 3.000 . 3.100 2.124 2.079 2.275 . 0 0 "[ . 1]" 1
738 1 70 VAL HA 1 71 TRP H 3.000 . 3.100 2.166 2.134 2.203 . 0 0 "[ . 1]" 1
739 1 70 VAL HA 1 71 TRP HA 6.000 . 6.100 4.438 4.416 4.459 . 0 0 "[ . 1]" 1
740 1 70 VAL HA 1 71 TRP QB 6.000 . 6.100 4.074 3.950 4.218 . 0 0 "[ . 1]" 1
741 1 70 VAL HB 1 71 TRP H 4.500 . 4.600 3.941 3.034 4.360 . 0 0 "[ . 1]" 1
742 1 71 TRP H 1 71 TRP HA 3.000 . 3.100 2.948 2.912 2.971 . 0 0 "[ . 1]" 1
743 1 71 TRP HA 1 71 TRP HD1 4.500 . 4.600 2.426 2.322 2.623 . 0 0 "[ . 1]" 1
744 1 71 TRP HA 1 72 ARG H 3.000 . 3.100 2.150 2.130 2.177 . 0 0 "[ . 1]" 1
745 1 71 TRP QB 1 71 TRP HE3 3.000 . 3.100 2.446 2.409 2.540 . 0 0 "[ . 1]" 1
746 1 71 TRP QB 1 72 ARG H 4.500 . 4.600 3.855 3.613 3.936 . 0 0 "[ . 1]" 1
747 1 71 TRP QB 1 72 ARG HA 6.000 . 6.100 4.639 4.568 4.807 . 0 0 "[ . 1]" 1
748 1 71 TRP QB 1 72 ARG QB 6.000 . 6.100 4.741 4.501 4.894 . 0 0 "[ . 1]" 1
749 1 71 TRP HD1 1 72 ARG HA 6.000 . 6.100 4.980 4.346 5.485 . 0 0 "[ . 1]" 1
750 1 71 TRP HD1 1 73 LEU QD 6.000 . 6.100 3.621 3.077 4.426 . 0 0 "[ . 1]" 1
751 1 71 TRP HH2 1 73 LEU QD 6.000 . 6.100 4.013 3.571 4.387 . 0 0 "[ . 1]" 1
752 1 71 TRP HZ2 1 73 LEU QD 4.500 . 4.600 2.735 2.307 3.175 . 0 0 "[ . 1]" 1
753 1 72 ARG H 1 72 ARG QG 4.500 . 4.600 4.127 3.922 4.179 . 0 0 "[ . 1]" 1
754 1 72 ARG HA 1 72 ARG QG 3.000 . 3.100 2.319 2.261 2.354 . 0 0 "[ . 1]" 1
755 1 73 LEU H 1 73 LEU HA 3.000 . 3.100 2.892 2.858 2.925 . 0 0 "[ . 1]" 1
756 1 73 LEU H 1 73 LEU QB 3.000 . 3.100 2.475 2.252 2.581 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, June 3, 2024 2:57:21 PM GMT (wattos1)