NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436625 |
2k1h   |
15678 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k1h
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 908
_Distance_constraint_stats_list.Viol_count 842
_Distance_constraint_stats_list.Viol_total 1402.028
_Distance_constraint_stats_list.Viol_max 1.632
_Distance_constraint_stats_list.Viol_rms 0.0736
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1665
_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 GLU 3.138 0.400 1 0 "[ . 1]"
1 3 ILE 5.300 0.352 9 0 "[ . 1]"
1 4 ILE 6.536 0.464 2 0 "[ . 1]"
1 5 ALA 5.147 0.402 2 0 "[ . 1]"
1 6 ILE 1.904 0.323 3 0 "[ . 1]"
1 7 SER 1.977 0.264 8 0 "[ . 1]"
1 8 GLU 1.562 0.426 8 0 "[ . 1]"
1 9 THR 1.965 0.174 7 0 "[ . 1]"
1 10 PRO 0.467 0.129 6 0 "[ . 1]"
1 11 ASN 0.000 0.000 . 0 "[ . 1]"
1 12 HIS 0.094 0.094 7 0 "[ . 1]"
1 13 ASN 18.207 1.632 10 10 [-********+]
1 14 THR 0.861 0.218 7 0 "[ . 1]"
1 15 MET 0.811 0.264 8 0 "[ . 1]"
1 16 LYS 5.241 0.501 2 1 "[ + . 1]"
1 17 VAL 6.496 0.464 2 0 "[ . 1]"
1 18 SER 8.236 0.501 2 1 "[ + . 1]"
1 19 LEU 3.761 0.421 2 0 "[ . 1]"
1 20 SER 0.905 0.250 6 0 "[ . 1]"
1 21 GLU 6.855 0.517 6 1 "[ .+ 1]"
1 23 ARG 1.618 0.384 3 0 "[ . 1]"
1 24 GLN 0.000 0.000 . 0 "[ . 1]"
1 25 ASP 0.536 0.178 5 0 "[ . 1]"
1 26 ASN 6.421 0.531 4 1 "[ +. 1]"
1 27 SER 1.703 0.438 5 0 "[ . 1]"
1 28 PHE 5.939 0.531 4 1 "[ +. 1]"
1 29 THR 2.169 0.395 6 0 "[ . 1]"
1 30 THR 3.996 0.395 6 0 "[ . 1]"
1 31 TYR 3.649 0.488 7 0 "[ . 1]"
1 32 THR 2.236 0.245 8 0 "[ . 1]"
1 33 ALA 2.013 0.364 4 0 "[ . 1]"
1 34 ALA 4.041 0.436 10 0 "[ . 1]"
1 35 GLN 0.198 0.086 9 0 "[ . 1]"
1 36 GLU 0.554 0.302 2 0 "[ . 1]"
1 37 GLY 0.554 0.302 2 0 "[ . 1]"
1 38 GLN 0.067 0.067 6 0 "[ . 1]"
1 39 PRO 0.892 0.280 2 0 "[ . 1]"
1 40 GLU 2.504 0.444 2 0 "[ . 1]"
1 41 PHE 1.247 0.318 3 0 "[ . 1]"
1 42 ILE 8.522 0.488 7 0 "[ . 1]"
1 43 ASN 3.526 0.364 4 0 "[ . 1]"
1 44 ARG 7.966 0.412 4 0 "[ . 1]"
1 45 LEU 3.856 0.359 3 0 "[ . 1]"
1 46 PHE 9.152 0.472 5 0 "[ . 1]"
1 47 GLU 0.263 0.139 8 0 "[ . 1]"
1 48 ILE 2.839 0.508 1 1 "[+ . 1]"
1 49 GLU 5.353 0.502 6 1 "[ .+ 1]"
1 50 GLY 0.332 0.121 1 0 "[ . 1]"
1 51 VAL 7.310 0.508 1 1 "[+ . 1]"
1 52 LYS 0.285 0.106 7 0 "[ . 1]"
1 53 SER 2.307 0.245 8 0 "[ . 1]"
1 54 ILE 1.228 0.343 5 0 "[ . 1]"
1 55 PHE 2.347 0.373 4 0 "[ . 1]"
1 56 TYR 5.154 0.325 7 0 "[ . 1]"
1 57 VAL 5.109 0.447 10 0 "[ . 1]"
1 58 LEU 1.875 0.263 8 0 "[ . 1]"
1 59 ASP 3.775 0.517 6 1 "[ .+ 1]"
1 60 PHE 6.393 0.649 7 1 "[ . + 1]"
1 61 ILE 6.615 0.649 7 1 "[ . + 1]"
1 62 SER 4.130 0.366 3 0 "[ . 1]"
1 63 ILE 1.884 0.403 9 0 "[ . 1]"
1 64 ASP 0.980 0.140 3 0 "[ . 1]"
1 65 LYS 3.590 0.337 3 0 "[ . 1]"
1 66 GLU 0.000 0.000 . 0 "[ . 1]"
1 67 ASP 0.000 0.000 . 0 "[ . 1]"
1 68 ASN 1.628 0.268 9 0 "[ . 1]"
1 69 ALA 18.762 1.632 10 10 [-********+]
1 70 ASN 7.827 0.502 6 1 "[ .+ 1]"
1 71 TRP 3.425 0.337 3 0 "[ . 1]"
1 72 ASN 0.327 0.063 4 0 "[ . 1]"
1 73 GLU 0.000 0.000 . 0 "[ . 1]"
1 74 LEU 4.377 0.359 3 0 "[ . 1]"
1 75 LEU 1.471 0.219 8 0 "[ . 1]"
1 76 PRO 0.367 0.155 1 0 "[ . 1]"
1 77 GLN 1.796 0.247 3 0 "[ . 1]"
1 78 ILE 3.998 0.412 4 0 "[ . 1]"
1 79 GLU 0.191 0.144 7 0 "[ . 1]"
1 80 ASN 0.105 0.105 10 0 "[ . 1]"
1 81 THR 10.147 0.444 2 0 "[ . 1]"
1 82 PHE 5.289 0.432 6 0 "[ . 1]"
1 83 ALA 0.170 0.050 7 0 "[ . 1]"
1 84 LYS 1.590 0.428 6 0 "[ . 1]"
1 85 SER 1.215 0.428 6 0 "[ . 1]"
1 86 ASN 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU H 1 19 LEU MD2 5.990 . 5.990 5.873 5.459 6.166 0.176 2 0 "[ . 1]" 1
2 1 2 GLU H 1 19 LEU HG 5.600 . 5.600 4.932 4.348 5.568 . 0 0 "[ . 1]" 1
3 1 2 GLU H 1 20 SER H 4.990 . 4.990 4.600 3.813 4.963 . 0 0 "[ . 1]" 1
4 1 2 GLU H 1 20 SER QB 5.270 . 5.270 4.995 4.088 5.347 0.077 7 0 "[ . 1]" 1
5 1 2 GLU H 1 21 GLU H 6.000 . 6.000 6.271 6.075 6.400 0.400 1 0 "[ . 1]" 1
6 1 2 GLU H 1 21 GLU HA 5.660 . 5.660 4.880 4.296 5.575 . 0 0 "[ . 1]" 1
7 1 2 GLU QB 1 3 ILE H 4.040 . 4.040 3.383 2.768 3.966 . 0 0 "[ . 1]" 1
8 1 3 ILE H 1 3 ILE MD 4.460 . 4.460 3.550 3.350 4.280 . 0 0 "[ . 1]" 1
9 1 3 ILE H 1 3 ILE QG 4.410 . 4.410 2.129 1.821 3.953 . 0 0 "[ . 1]" 1
10 1 3 ILE H 1 3 ILE MG 4.440 . 4.440 3.121 2.028 3.777 . 0 0 "[ . 1]" 1
11 1 3 ILE H 1 82 PHE H 6.000 . 6.000 6.141 5.948 6.331 0.331 9 0 "[ . 1]" 1
12 1 3 ILE H 1 82 PHE QB 4.720 . 4.720 3.889 3.034 5.068 0.348 8 0 "[ . 1]" 1
13 1 3 ILE H 1 82 PHE QD 6.000 . 6.000 3.489 2.187 6.083 0.083 10 0 "[ . 1]" 1
14 1 3 ILE HA 1 4 ILE HB 5.940 . 5.940 4.479 4.331 4.645 . 0 0 "[ . 1]" 1
15 1 3 ILE HA 1 5 ALA H 4.290 . 4.290 3.985 3.678 4.226 . 0 0 "[ . 1]" 1
16 1 3 ILE HA 1 19 LEU QB 5.770 . 5.770 2.256 2.117 2.379 . 0 0 "[ . 1]" 1
17 1 3 ILE HA 1 19 LEU MD2 4.660 . 4.660 3.944 3.569 4.155 . 0 0 "[ . 1]" 1
18 1 3 ILE MD 1 4 ILE H 4.860 . 4.860 4.819 4.366 5.212 0.352 9 0 "[ . 1]" 1
19 1 3 ILE MD 1 5 ALA H 5.150 . 5.150 5.267 4.579 5.475 0.325 9 0 "[ . 1]" 1
20 1 3 ILE MD 1 5 ALA HA 6.000 . 6.000 5.570 4.458 6.091 0.091 6 0 "[ . 1]" 1
21 1 3 ILE MD 1 78 ILE MG 5.160 . 5.160 4.268 3.569 4.858 . 0 0 "[ . 1]" 1
22 1 3 ILE MD 1 79 GLU H 5.530 . 5.530 4.791 4.484 5.315 . 0 0 "[ . 1]" 1
23 1 3 ILE MD 1 79 GLU HA 4.250 . 4.250 3.763 3.466 4.394 0.144 7 0 "[ . 1]" 1
24 1 3 ILE MD 1 79 GLU QB 5.200 . 5.200 4.745 4.014 5.215 0.015 3 0 "[ . 1]" 1
25 1 3 ILE MD 1 79 GLU QG 5.140 . 5.140 4.628 3.903 5.068 . 0 0 "[ . 1]" 1
26 1 3 ILE MD 1 82 PHE QB 4.740 . 4.740 3.396 2.140 4.646 . 0 0 "[ . 1]" 1
27 1 3 ILE MD 1 82 PHE QD 4.180 . 4.180 3.500 2.894 4.240 0.060 3 0 "[ . 1]" 1
28 1 3 ILE QG 1 4 ILE H 5.560 . 5.560 3.916 2.921 4.330 . 0 0 "[ . 1]" 1
29 1 3 ILE QG 1 82 PHE QD 5.810 . 5.810 3.838 2.547 4.994 . 0 0 "[ . 1]" 1
30 1 3 ILE MG 1 4 ILE H 4.310 . 4.310 2.977 1.955 4.086 . 0 0 "[ . 1]" 1
31 1 3 ILE MG 1 5 ALA H 5.110 . 5.110 3.474 2.498 4.942 . 0 0 "[ . 1]" 1
32 1 3 ILE MG 1 5 ALA HA 6.000 . 6.000 4.322 3.117 6.107 0.107 4 0 "[ . 1]" 1
33 1 4 ILE H 1 5 ALA H 4.120 . 4.120 2.164 1.897 2.514 . 0 0 "[ . 1]" 1
34 1 4 ILE H 1 5 ALA MB 5.040 . 5.040 4.475 4.314 4.677 . 0 0 "[ . 1]" 1
35 1 4 ILE H 1 17 VAL MG1 5.960 . 5.960 3.810 3.694 3.927 . 0 0 "[ . 1]" 1
36 1 4 ILE H 1 17 VAL QG 4.930 . 4.930 3.777 3.664 3.888 . 0 0 "[ . 1]" 1
37 1 4 ILE H 1 17 VAL MG2 5.960 . 5.960 6.229 6.074 6.424 0.464 2 0 "[ . 1]" 1
38 1 4 ILE H 1 18 SER H 5.480 . 5.480 5.114 4.878 5.351 . 0 0 "[ . 1]" 1
39 1 4 ILE H 1 19 LEU HA 5.250 . 5.250 3.273 2.947 3.587 . 0 0 "[ . 1]" 1
40 1 4 ILE H 1 19 LEU QB 4.680 . 4.680 2.337 2.040 2.684 . 0 0 "[ . 1]" 1
41 1 4 ILE H 1 19 LEU MD2 5.530 . 5.530 4.232 3.818 4.472 . 0 0 "[ . 1]" 1
42 1 4 ILE H 1 19 LEU HG 6.000 . 6.000 5.294 5.062 5.728 . 0 0 "[ . 1]" 1
43 1 4 ILE HA 1 5 ALA MB 5.850 . 5.850 4.279 4.231 4.371 . 0 0 "[ . 1]" 1
44 1 4 ILE HA 1 19 LEU QB 4.580 . 4.580 4.552 4.337 4.669 0.089 6 0 "[ . 1]" 1
45 1 4 ILE HA 1 20 SER H 5.720 . 5.720 5.672 5.516 5.848 0.128 7 0 "[ . 1]" 1
46 1 4 ILE HB 1 5 ALA H 5.130 . 5.130 2.619 2.408 2.763 . 0 0 "[ . 1]" 1
47 1 4 ILE HB 1 18 SER H 5.200 . 5.200 5.287 5.123 5.485 0.285 10 0 "[ . 1]" 1
48 1 4 ILE HB 1 18 SER HB2 6.000 . 6.000 4.562 3.836 5.866 . 0 0 "[ . 1]" 1
49 1 4 ILE HB 1 18 SER HB3 6.000 . 6.000 4.772 3.880 5.280 . 0 0 "[ . 1]" 1
50 1 4 ILE QG 1 19 LEU H 4.840 . 4.840 4.838 4.576 5.261 0.421 2 0 "[ . 1]" 1
51 1 4 ILE QG 1 19 LEU HA 4.940 . 4.940 2.363 2.131 2.760 . 0 0 "[ . 1]" 1
52 1 4 ILE QG 1 20 SER H 4.670 . 4.670 2.512 2.093 3.140 . 0 0 "[ . 1]" 1
53 1 4 ILE MG 1 5 ALA MB 4.560 . 4.560 2.569 2.256 2.799 . 0 0 "[ . 1]" 1
54 1 5 ALA H 1 6 ILE H 5.140 . 5.140 4.299 4.203 4.357 . 0 0 "[ . 1]" 1
55 1 5 ALA H 1 18 SER H 4.580 . 4.580 3.957 3.635 4.200 . 0 0 "[ . 1]" 1
56 1 5 ALA H 1 18 SER HB2 5.190 . 5.190 4.384 3.793 5.374 0.184 6 0 "[ . 1]" 1
57 1 5 ALA H 1 18 SER HB3 5.530 . 5.530 4.940 3.459 5.631 0.101 2 0 "[ . 1]" 1
58 1 5 ALA H 1 19 LEU HA 5.130 . 5.130 4.204 3.960 4.344 . 0 0 "[ . 1]" 1
59 1 5 ALA H 1 19 LEU QB 4.330 . 4.330 3.702 3.412 3.823 . 0 0 "[ . 1]" 1
60 1 5 ALA HA 1 6 ILE HB 5.280 . 5.280 4.894 4.284 5.596 0.316 1 0 "[ . 1]" 1
61 1 5 ALA HA 1 6 ILE MG 6.000 . 6.000 4.703 3.344 5.453 . 0 0 "[ . 1]" 1
62 1 5 ALA MB 1 6 ILE H 4.200 . 4.200 2.378 2.062 2.860 . 0 0 "[ . 1]" 1
63 1 5 ALA MB 1 18 SER H 5.040 . 5.040 4.181 3.842 4.333 . 0 0 "[ . 1]" 1
64 1 5 ALA MB 1 18 SER HB2 4.640 . 4.640 3.553 3.150 4.320 . 0 0 "[ . 1]" 1
65 1 5 ALA MB 1 18 SER HB3 5.160 . 5.160 4.171 2.574 5.040 . 0 0 "[ . 1]" 1
66 1 5 ALA MB 1 19 LEU H 6.000 . 6.000 6.144 5.817 6.402 0.402 2 0 "[ . 1]" 1
67 1 6 ILE H 1 7 SER H 5.720 . 5.720 4.345 4.256 4.462 . 0 0 "[ . 1]" 1
68 1 6 ILE H 1 18 SER H 6.000 . 6.000 5.083 4.532 5.399 . 0 0 "[ . 1]" 1
69 1 6 ILE H 1 18 SER HB2 5.830 . 5.830 5.931 5.836 6.153 0.323 3 0 "[ . 1]" 1
70 1 6 ILE HB 1 7 SER H 5.980 . 5.980 3.950 3.124 4.299 . 0 0 "[ . 1]" 1
71 1 6 ILE MG 1 18 SER H 5.240 . 5.240 4.615 3.579 5.177 . 0 0 "[ . 1]" 1
72 1 7 SER H 1 8 GLU H 5.130 . 5.130 4.258 4.099 4.330 . 0 0 "[ . 1]" 1
73 1 7 SER H 1 8 GLU QG 6.000 . 6.000 5.115 4.744 5.787 . 0 0 "[ . 1]" 1
74 1 7 SER H 1 15 MET QB 5.200 . 5.200 4.689 4.007 5.464 0.264 8 0 "[ . 1]" 1
75 1 7 SER H 1 16 LYS H 5.080 . 5.080 3.962 3.681 4.443 . 0 0 "[ . 1]" 1
76 1 7 SER H 1 16 LYS QB 4.680 . 4.680 3.687 3.233 4.124 . 0 0 "[ . 1]" 1
77 1 7 SER H 1 17 VAL H 5.870 . 5.870 4.975 4.825 5.212 . 0 0 "[ . 1]" 1
78 1 7 SER H 1 17 VAL HB 6.000 . 6.000 6.062 5.957 6.123 0.123 4 0 "[ . 1]" 1
79 1 7 SER QB 1 8 GLU H 4.150 . 4.150 3.657 3.476 3.920 . 0 0 "[ . 1]" 1
80 1 7 SER QB 1 9 THR HA 5.810 . 5.810 5.200 4.781 5.617 . 0 0 "[ . 1]" 1
81 1 7 SER QB 1 9 THR HB 5.270 . 5.270 5.306 4.987 5.444 0.174 7 0 "[ . 1]" 1
82 1 7 SER QB 1 9 THR MG 4.900 . 4.900 3.884 3.376 4.358 . 0 0 "[ . 1]" 1
83 1 7 SER QB 1 15 MET QB 5.800 . 5.800 5.363 4.199 5.930 0.130 9 0 "[ . 1]" 1
84 1 7 SER QB 1 16 LYS H 5.810 . 5.810 3.751 2.734 4.538 . 0 0 "[ . 1]" 1
85 1 7 SER QB 1 16 LYS QB 4.440 . 4.440 2.509 2.244 3.448 . 0 0 "[ . 1]" 1
86 1 7 SER HB2 1 8 GLU H 4.970 . 4.970 4.319 3.692 4.536 . 0 0 "[ . 1]" 1
87 1 7 SER HB2 1 16 LYS HB2 5.910 . 5.910 4.578 3.990 5.563 . 0 0 "[ . 1]" 1
88 1 7 SER HB2 1 16 LYS HB3 5.910 . 5.910 2.970 2.347 3.859 . 0 0 "[ . 1]" 1
89 1 7 SER HB3 1 8 GLU H 4.970 . 4.970 4.029 3.623 4.411 . 0 0 "[ . 1]" 1
90 1 7 SER HB3 1 16 LYS HB2 5.910 . 5.910 4.703 3.476 5.940 0.030 5 0 "[ . 1]" 1
91 1 7 SER HB3 1 16 LYS HB3 5.910 . 5.910 3.273 2.359 4.275 . 0 0 "[ . 1]" 1
92 1 8 GLU H 1 8 GLU QG 4.000 . 4.000 2.431 1.795 3.257 0.005 8 0 "[ . 1]" 1
93 1 8 GLU H 1 15 MET QB 6.000 . 6.000 5.502 4.994 6.183 0.183 8 0 "[ . 1]" 1
94 1 8 GLU H 1 16 LYS H 6.000 . 6.000 5.420 4.970 5.803 . 0 0 "[ . 1]" 1
95 1 8 GLU QB 1 9 THR HA 5.270 . 5.270 4.419 4.114 4.493 . 0 0 "[ . 1]" 1
96 1 8 GLU QB 1 9 THR MG 5.230 . 5.230 4.371 4.015 4.578 . 0 0 "[ . 1]" 1
97 1 8 GLU HB2 1 9 THR MG 5.930 . 5.930 5.109 4.334 5.415 . 0 0 "[ . 1]" 1
98 1 8 GLU HB3 1 9 THR MG 5.930 . 5.930 4.813 4.231 5.037 . 0 0 "[ . 1]" 1
99 1 8 GLU QG 1 9 THR H 4.300 . 4.300 4.162 3.913 4.352 0.052 10 0 "[ . 1]" 1
100 1 8 GLU QG 1 9 THR MG 5.800 . 5.800 4.858 4.636 5.053 . 0 0 "[ . 1]" 1
101 1 8 GLU QG 1 16 LYS H 5.650 . 5.650 5.562 4.956 6.076 0.426 8 0 "[ . 1]" 1
102 1 9 THR H 1 9 THR MG 4.430 . 4.430 1.815 1.709 2.010 0.091 2 0 "[ . 1]" 1
103 1 9 THR H 1 10 PRO HA 5.560 . 5.560 5.519 5.117 5.689 0.129 6 0 "[ . 1]" 1
104 1 9 THR H 1 11 ASN H 5.620 . 5.620 3.835 3.658 4.021 . 0 0 "[ . 1]" 1
105 1 9 THR H 1 11 ASN QB 5.620 . 5.620 4.301 4.152 4.429 . 0 0 "[ . 1]" 1
106 1 9 THR H 1 15 MET HA 4.840 . 4.840 3.241 2.882 3.573 . 0 0 "[ . 1]" 1
107 1 9 THR MG 1 11 ASN H 5.090 . 5.090 3.389 3.045 3.713 . 0 0 "[ . 1]" 1
108 1 9 THR MG 1 14 THR H 5.180 . 5.180 4.882 4.502 5.308 0.128 4 0 "[ . 1]" 1
109 1 9 THR MG 1 14 THR HB 4.990 . 4.990 3.929 3.495 4.225 . 0 0 "[ . 1]" 1
110 1 9 THR MG 1 15 MET HA 4.870 . 4.870 2.177 2.056 2.321 . 0 0 "[ . 1]" 1
111 1 9 THR MG 1 16 LYS H 4.460 . 4.460 2.600 2.373 2.828 . 0 0 "[ . 1]" 1
112 1 9 THR MG 1 16 LYS HB2 4.840 . 4.840 3.099 2.484 3.721 . 0 0 "[ . 1]" 1
113 1 9 THR MG 1 16 LYS QB 4.200 . 4.200 2.931 2.362 3.538 . 0 0 "[ . 1]" 1
114 1 9 THR MG 1 16 LYS HB3 4.840 . 4.840 3.634 2.954 4.428 . 0 0 "[ . 1]" 1
115 1 11 ASN H 1 14 THR H 5.690 . 5.690 5.216 4.998 5.364 . 0 0 "[ . 1]" 1
116 1 11 ASN H 1 14 THR HB 6.000 . 6.000 4.904 4.619 5.224 . 0 0 "[ . 1]" 1
117 1 11 ASN QB 1 14 THR HB 4.610 . 4.610 2.200 2.087 2.343 . 0 0 "[ . 1]" 1
118 1 11 ASN QB 1 14 THR MG 5.480 . 5.480 3.514 3.259 3.675 . 0 0 "[ . 1]" 1
119 1 11 ASN HB2 1 12 HIS H 4.780 . 4.780 3.198 2.917 3.503 . 0 0 "[ . 1]" 1
120 1 11 ASN HB2 1 14 THR HB 5.430 . 5.430 2.600 2.314 2.926 . 0 0 "[ . 1]" 1
121 1 11 ASN HB3 1 12 HIS H 4.780 . 4.780 2.024 1.853 2.275 . 0 0 "[ . 1]" 1
122 1 11 ASN HB3 1 14 THR HB 5.430 . 5.430 2.396 2.336 2.469 . 0 0 "[ . 1]" 1
123 1 12 HIS H 1 13 ASN H 5.770 . 5.770 2.293 2.063 2.578 . 0 0 "[ . 1]" 1
124 1 12 HIS H 1 13 ASN QB 5.490 . 5.490 4.860 4.605 5.081 . 0 0 "[ . 1]" 1
125 1 12 HIS H 1 14 THR H 5.680 . 5.680 2.939 2.814 3.072 . 0 0 "[ . 1]" 1
126 1 12 HIS H 1 14 THR HB 5.670 . 5.670 4.091 3.759 4.491 . 0 0 "[ . 1]" 1
127 1 12 HIS H 1 14 THR MG 5.700 . 5.700 5.473 5.217 5.794 0.094 7 0 "[ . 1]" 1
128 1 12 HIS HA 1 14 THR H 4.930 . 4.930 4.340 3.831 4.660 . 0 0 "[ . 1]" 1
129 1 13 ASN H 1 14 THR H 4.490 . 4.490 2.275 1.922 2.564 . 0 0 "[ . 1]" 1
130 1 13 ASN H 1 14 THR HB 5.950 . 5.950 4.377 3.905 4.632 . 0 0 "[ . 1]" 1
131 1 13 ASN H 1 65 LYS H 6.000 . 6.000 5.920 5.660 6.118 0.118 4 0 "[ . 1]" 1
132 1 13 ASN H 1 69 ALA H 5.680 . 5.680 7.101 6.734 7.312 1.632 10 10 [-********+] 1
133 1 13 ASN H 1 71 TRP HE1 6.000 . 6.000 5.424 4.643 6.113 0.113 8 0 "[ . 1]" 1
134 1 13 ASN HA 1 69 ALA H 5.370 . 5.370 5.554 5.416 5.678 0.308 5 0 "[ . 1]" 1
135 1 13 ASN HA 1 71 TRP HE1 5.790 . 5.790 3.028 2.283 3.955 . 0 0 "[ . 1]" 1
136 1 13 ASN QB 1 14 THR H 4.360 . 4.360 3.877 3.566 3.966 . 0 0 "[ . 1]" 1
137 1 13 ASN QB 1 69 ALA H 5.180 . 5.180 3.772 3.578 3.993 . 0 0 "[ . 1]" 1
138 1 13 ASN QB 1 69 ALA MB 5.190 . 5.190 3.023 2.598 3.563 . 0 0 "[ . 1]" 1
139 1 13 ASN QB 1 70 ASN H 5.810 . 5.810 5.958 5.757 6.229 0.419 3 0 "[ . 1]" 1
140 1 13 ASN HB2 1 14 THR H 5.210 . 5.210 4.284 3.781 4.427 . 0 0 "[ . 1]" 1
141 1 13 ASN HB2 1 65 LYS H 6.000 . 6.000 3.653 3.238 4.316 . 0 0 "[ . 1]" 1
142 1 13 ASN HB3 1 14 THR H 5.210 . 5.210 4.439 4.355 4.569 . 0 0 "[ . 1]" 1
143 1 13 ASN HB3 1 65 LYS H 6.000 . 6.000 5.100 4.235 5.502 . 0 0 "[ . 1]" 1
144 1 14 THR H 1 14 THR MG 4.660 . 4.660 3.857 3.822 3.878 . 0 0 "[ . 1]" 1
145 1 14 THR H 1 15 MET H 5.170 . 5.170 4.410 4.370 4.456 . 0 0 "[ . 1]" 1
146 1 14 THR H 1 71 TRP HE1 5.260 . 5.260 4.419 3.818 5.067 . 0 0 "[ . 1]" 1
147 1 14 THR HA 1 63 ILE H 5.810 . 5.810 4.905 4.637 5.158 . 0 0 "[ . 1]" 1
148 1 14 THR HA 1 71 TRP HZ2 5.080 . 5.080 3.404 2.396 4.144 . 0 0 "[ . 1]" 1
149 1 14 THR HB 1 15 MET H 5.550 . 5.550 4.109 3.941 4.229 . 0 0 "[ . 1]" 1
150 1 14 THR HB 1 15 MET HA 5.550 . 5.550 4.672 4.612 4.764 . 0 0 "[ . 1]" 1
151 1 14 THR MG 1 15 MET H 4.120 . 4.120 2.606 2.191 2.748 . 0 0 "[ . 1]" 1
152 1 14 THR MG 1 15 MET HA 4.810 . 4.810 3.587 3.394 3.692 . 0 0 "[ . 1]" 1
153 1 14 THR MG 1 62 SER HA 5.370 . 5.370 4.429 3.959 4.800 . 0 0 "[ . 1]" 1
154 1 14 THR MG 1 62 SER QB 4.260 . 4.260 3.946 3.396 4.478 0.218 7 0 "[ . 1]" 1
155 1 14 THR MG 1 63 ILE HB 5.640 . 5.640 4.811 4.119 5.578 . 0 0 "[ . 1]" 1
156 1 14 THR MG 1 64 ASP HA 5.650 . 5.650 3.352 2.577 4.038 . 0 0 "[ . 1]" 1
157 1 14 THR MG 1 64 ASP QB 5.810 . 5.810 4.309 3.342 5.282 . 0 0 "[ . 1]" 1
158 1 14 THR MG 1 71 TRP HZ2 5.240 . 5.240 4.605 3.167 5.230 . 0 0 "[ . 1]" 1
159 1 15 MET H 1 62 SER HA 5.790 . 5.790 5.002 4.752 5.264 . 0 0 "[ . 1]" 1
160 1 15 MET H 1 63 ILE H 5.210 . 5.210 3.717 3.510 4.042 . 0 0 "[ . 1]" 1
161 1 15 MET H 1 63 ILE HB 5.310 . 5.310 3.834 3.362 4.579 . 0 0 "[ . 1]" 1
162 1 15 MET H 1 71 TRP HZ2 5.190 . 5.190 3.352 1.914 4.344 . 0 0 "[ . 1]" 1
163 1 15 MET QB 1 16 LYS H 4.060 . 4.060 2.832 2.618 3.453 . 0 0 "[ . 1]" 1
164 1 15 MET QB 1 16 LYS QB 5.140 . 5.140 4.618 4.446 5.045 . 0 0 "[ . 1]" 1
165 1 15 MET QB 1 17 VAL H 5.800 . 5.800 5.304 4.901 5.611 . 0 0 "[ . 1]" 1
166 1 16 LYS H 1 17 VAL H 5.540 . 5.540 4.475 4.427 4.533 . 0 0 "[ . 1]" 1
167 1 16 LYS H 1 62 SER HA 5.810 . 5.810 5.727 5.216 5.899 0.089 9 0 "[ . 1]" 1
168 1 16 LYS HA 1 62 SER HA 5.050 . 5.050 3.176 2.620 3.421 . 0 0 "[ . 1]" 1
169 1 16 LYS HA 1 63 ILE H 5.200 . 5.200 4.072 3.417 4.536 . 0 0 "[ . 1]" 1
170 1 16 LYS QB 1 18 SER HB3 5.810 . 5.810 6.186 6.012 6.311 0.501 2 1 "[ + . 1]" 1
171 1 16 LYS QG 1 18 SER HB2 5.810 . 5.810 5.160 4.066 5.881 0.071 1 0 "[ . 1]" 1
172 1 16 LYS QG 1 18 SER HB3 5.810 . 5.810 5.262 4.844 5.691 . 0 0 "[ . 1]" 1
173 1 16 LYS QG 1 62 SER HA 5.400 . 5.400 3.828 2.869 4.238 . 0 0 "[ . 1]" 1
174 1 16 LYS QG 1 62 SER QB 5.490 . 5.490 4.157 3.220 4.815 . 0 0 "[ . 1]" 1
175 1 17 VAL H 1 18 SER H 5.640 . 5.640 4.260 4.141 4.453 . 0 0 "[ . 1]" 1
176 1 17 VAL H 1 19 LEU MD2 6.000 . 6.000 4.592 4.385 4.764 . 0 0 "[ . 1]" 1
177 1 17 VAL H 1 60 PHE HB2 5.800 . 5.800 4.287 3.856 4.583 . 0 0 "[ . 1]" 1
178 1 17 VAL H 1 60 PHE HB3 6.000 . 6.000 5.844 5.496 6.001 0.001 1 0 "[ . 1]" 1
179 1 17 VAL H 1 60 PHE QD 5.840 . 5.840 4.905 4.374 5.674 . 0 0 "[ . 1]" 1
180 1 17 VAL H 1 61 ILE H 5.130 . 5.130 3.292 3.073 3.382 . 0 0 "[ . 1]" 1
181 1 17 VAL H 1 61 ILE HB 5.170 . 5.170 5.255 4.054 5.437 0.267 9 0 "[ . 1]" 1
182 1 17 VAL H 1 62 SER HA 5.230 . 5.230 3.946 3.754 4.051 . 0 0 "[ . 1]" 1
183 1 17 VAL H 1 62 SER QB 5.800 . 5.800 5.391 4.978 5.879 0.079 6 0 "[ . 1]" 1
184 1 17 VAL H 1 63 ILE H 5.890 . 5.890 4.876 4.584 5.187 . 0 0 "[ . 1]" 1
185 1 17 VAL HB 1 18 SER H 5.540 . 5.540 4.333 4.133 4.434 . 0 0 "[ . 1]" 1
186 1 17 VAL HB 1 61 ILE H 5.440 . 5.440 3.426 2.807 3.743 . 0 0 "[ . 1]" 1
187 1 17 VAL HB 1 61 ILE QG 4.560 . 4.560 2.331 2.086 4.373 . 0 0 "[ . 1]" 1
188 1 17 VAL HB 1 62 SER H 5.990 . 5.990 6.096 5.963 6.205 0.215 7 0 "[ . 1]" 1
189 1 17 VAL QG 1 18 SER H 4.380 . 4.380 2.963 2.644 3.110 . 0 0 "[ . 1]" 1
190 1 17 VAL QG 1 18 SER HB3 5.750 . 5.750 5.098 4.390 5.432 . 0 0 "[ . 1]" 1
191 1 17 VAL QG 1 19 LEU H 5.570 . 5.570 4.429 4.288 4.534 . 0 0 "[ . 1]" 1
192 1 17 VAL QG 1 19 LEU QB 4.880 . 4.880 3.019 2.917 3.237 . 0 0 "[ . 1]" 1
193 1 17 VAL QG 1 19 LEU MD2 4.090 . 4.090 2.281 2.214 2.342 . 0 0 "[ . 1]" 1
194 1 17 VAL QG 1 61 ILE H 5.720 . 5.720 4.015 3.616 4.186 . 0 0 "[ . 1]" 1
195 1 17 VAL QG 1 62 SER HA 5.920 . 5.920 4.515 4.140 4.791 . 0 0 "[ . 1]" 1
196 1 18 SER H 1 19 LEU H 5.280 . 5.280 4.492 4.440 4.522 . 0 0 "[ . 1]" 1
197 1 18 SER H 1 60 PHE HA 5.400 . 5.400 5.507 5.306 5.732 0.332 3 0 "[ . 1]" 1
198 1 18 SER H 1 60 PHE HB3 6.000 . 6.000 5.983 5.692 6.418 0.418 3 0 "[ . 1]" 1
199 1 18 SER H 1 61 ILE H 5.690 . 5.690 5.552 5.398 5.707 0.017 3 0 "[ . 1]" 1
200 1 18 SER HA 1 60 PHE HA 5.180 . 5.180 3.234 2.770 3.762 . 0 0 "[ . 1]" 1
201 1 18 SER HA 1 60 PHE HB2 5.390 . 5.390 3.563 3.379 3.962 . 0 0 "[ . 1]" 1
202 1 18 SER HA 1 60 PHE HB3 5.090 . 5.090 3.429 3.136 3.868 . 0 0 "[ . 1]" 1
203 1 18 SER HA 1 61 ILE H 5.300 . 5.300 4.350 3.905 4.809 . 0 0 "[ . 1]" 1
204 1 18 SER HB2 1 19 LEU H 5.360 . 5.360 4.071 3.899 4.369 . 0 0 "[ . 1]" 1
205 1 18 SER HB3 1 19 LEU H 5.290 . 5.290 3.605 3.248 4.314 . 0 0 "[ . 1]" 1
206 1 18 SER HB3 1 19 LEU QB 6.000 . 6.000 5.262 4.902 5.454 . 0 0 "[ . 1]" 1
207 1 19 LEU H 1 19 LEU MD2 4.790 . 4.790 1.944 1.880 2.003 . 0 0 "[ . 1]" 1
208 1 19 LEU H 1 20 SER H 5.400 . 5.400 4.301 4.259 4.346 . 0 0 "[ . 1]" 1
209 1 19 LEU H 1 21 GLU H 5.150 . 5.150 4.986 4.648 5.459 0.309 10 0 "[ . 1]" 1
210 1 19 LEU H 1 21 GLU QG 5.690 . 5.690 4.945 4.135 5.480 . 0 0 "[ . 1]" 1
211 1 19 LEU H 1 60 PHE HA 5.100 . 5.100 3.413 3.121 3.861 . 0 0 "[ . 1]" 1
212 1 19 LEU H 1 60 PHE HB2 5.670 . 5.670 4.829 4.650 5.138 . 0 0 "[ . 1]" 1
213 1 19 LEU H 1 61 ILE H 5.670 . 5.670 5.190 4.855 5.643 . 0 0 "[ . 1]" 1
214 1 19 LEU HA 1 19 LEU MD2 4.420 . 4.420 3.448 3.388 3.496 . 0 0 "[ . 1]" 1
215 1 19 LEU QB 1 20 SER H 4.240 . 4.240 2.611 2.484 2.727 . 0 0 "[ . 1]" 1
216 1 19 LEU QB 1 21 GLU H 5.580 . 5.580 4.824 4.256 5.534 . 0 0 "[ . 1]" 1
217 1 19 LEU MD2 1 20 SER H 4.770 . 4.770 4.409 4.204 4.626 . 0 0 "[ . 1]" 1
218 1 19 LEU MD2 1 21 GLU H 4.620 . 4.620 4.252 3.888 4.595 . 0 0 "[ . 1]" 1
219 1 19 LEU MD2 1 21 GLU QB 4.290 . 4.290 3.800 3.187 4.299 0.009 7 0 "[ . 1]" 1
220 1 19 LEU MD2 1 60 PHE HA 6.000 . 6.000 2.316 2.084 2.698 . 0 0 "[ . 1]" 1
221 1 19 LEU MD2 1 61 ILE H 5.730 . 5.730 3.193 3.028 3.341 . 0 0 "[ . 1]" 1
222 1 19 LEU HG 1 21 GLU H 4.700 . 4.700 3.495 3.009 4.328 . 0 0 "[ . 1]" 1
223 1 20 SER H 1 21 GLU H 4.340 . 4.340 4.133 3.897 4.421 0.081 10 0 "[ . 1]" 1
224 1 20 SER H 1 21 GLU QG 4.920 . 4.920 4.608 3.975 5.170 0.250 6 0 "[ . 1]" 1
225 1 20 SER H 1 59 ASP QB 5.720 . 5.720 4.998 4.827 5.263 . 0 0 "[ . 1]" 1
226 1 21 GLU H 1 21 GLU QG 4.080 . 4.080 2.652 1.793 3.439 0.007 6 0 "[ . 1]" 1
227 1 21 GLU H 1 59 ASP H 5.250 . 5.250 5.537 5.406 5.767 0.517 6 1 "[ .+ 1]" 1
228 1 21 GLU H 1 59 ASP QB 5.060 . 5.060 2.910 2.255 3.773 . 0 0 "[ . 1]" 1
229 1 21 GLU QB 1 60 PHE HA 5.840 . 5.840 5.477 4.678 6.038 0.198 6 0 "[ . 1]" 1
230 1 23 ARG H 1 24 GLN H 4.680 . 4.680 3.603 2.404 4.298 . 0 0 "[ . 1]" 1
231 1 23 ARG H 1 25 ASP H 5.260 . 5.260 4.904 4.218 5.421 0.161 10 0 "[ . 1]" 1
232 1 23 ARG HA 1 26 ASN HA 5.910 . 5.910 5.434 3.948 6.294 0.384 3 0 "[ . 1]" 1
233 1 23 ARG QB 1 26 ASN H 5.810 . 5.810 3.752 2.639 4.549 . 0 0 "[ . 1]" 1
234 1 23 ARG QD 1 24 GLN H 5.940 . 5.940 4.176 2.402 5.881 . 0 0 "[ . 1]" 1
235 1 23 ARG QD 1 26 ASN H 5.530 . 5.530 4.829 3.740 5.791 0.261 8 0 "[ . 1]" 1
236 1 24 GLN H 1 24 GLN QG 4.960 . 4.960 2.619 1.828 4.069 . 0 0 "[ . 1]" 1
237 1 24 GLN H 1 25 ASP H 4.580 . 4.580 2.860 2.628 3.232 . 0 0 "[ . 1]" 1
238 1 24 GLN H 1 26 ASN H 6.000 . 6.000 4.713 4.260 5.183 . 0 0 "[ . 1]" 1
239 1 24 GLN HA 1 26 ASN H 6.000 . 6.000 4.431 3.576 5.209 . 0 0 "[ . 1]" 1
240 1 24 GLN QG 1 25 ASP H 4.820 . 4.820 3.728 2.911 4.454 . 0 0 "[ . 1]" 1
241 1 25 ASP H 1 26 ASN H 4.600 . 4.600 2.702 1.796 3.162 0.004 7 0 "[ . 1]" 1
242 1 25 ASP H 1 26 ASN HA 4.820 . 4.820 4.360 4.054 4.898 0.078 8 0 "[ . 1]" 1
243 1 25 ASP H 1 27 SER QB 6.000 . 6.000 5.540 3.842 6.178 0.178 5 0 "[ . 1]" 1
244 1 25 ASP HA 1 26 ASN HD21 5.430 . 5.430 4.784 3.722 5.440 0.010 9 0 "[ . 1]" 1
245 1 25 ASP HA 1 26 ASN HD22 5.430 . 5.430 5.097 4.020 5.515 0.085 5 0 "[ . 1]" 1
246 1 26 ASN H 1 27 SER H 4.490 . 4.490 3.529 3.065 4.093 . 0 0 "[ . 1]" 1
247 1 26 ASN HA 1 26 ASN QD 4.060 . 4.060 3.712 1.841 4.150 0.090 2 0 "[ . 1]" 1
248 1 26 ASN HA 1 27 SER QB 5.870 . 5.870 4.515 4.194 4.785 . 0 0 "[ . 1]" 1
249 1 26 ASN HA 1 28 PHE H 6.000 . 6.000 6.229 5.789 6.531 0.531 4 1 "[ +. 1]" 1
250 1 26 ASN HA 1 56 TYR QE 5.080 . 5.080 3.916 2.561 5.185 0.105 6 0 "[ . 1]" 1
251 1 26 ASN HA 1 57 VAL H 6.000 . 6.000 6.175 5.753 6.447 0.447 10 0 "[ . 1]" 1
252 1 26 ASN HA 1 57 VAL HA 5.880 . 5.880 3.833 3.433 4.139 . 0 0 "[ . 1]" 1
253 1 26 ASN HA 1 58 LEU H 5.060 . 5.060 3.259 2.248 4.576 . 0 0 "[ . 1]" 1
254 1 26 ASN QB 1 58 LEU H 5.090 . 5.090 2.367 1.782 3.779 0.018 10 0 "[ . 1]" 1
255 1 27 SER H 1 28 PHE HA 5.190 . 5.190 5.283 4.981 5.628 0.438 5 0 "[ . 1]" 1
256 1 27 SER H 1 58 LEU H 5.110 . 5.110 4.680 3.769 5.192 0.082 2 0 "[ . 1]" 1
257 1 27 SER QB 1 28 PHE H 4.120 . 4.120 3.296 1.790 3.883 0.010 10 0 "[ . 1]" 1
258 1 28 PHE H 1 28 PHE QD 4.940 . 4.940 2.314 2.189 2.636 . 0 0 "[ . 1]" 1
259 1 28 PHE H 1 57 VAL HA 5.660 . 5.660 5.344 5.119 5.602 . 0 0 "[ . 1]" 1
260 1 28 PHE H 1 57 VAL HB 5.430 . 5.430 4.713 4.564 4.868 . 0 0 "[ . 1]" 1
261 1 28 PHE H 1 57 VAL MG1 5.720 . 5.720 5.866 5.749 6.011 0.291 8 0 "[ . 1]" 1
262 1 28 PHE H 1 57 VAL MG2 5.220 . 5.220 4.117 3.894 4.239 . 0 0 "[ . 1]" 1
263 1 28 PHE HA 1 56 TYR QE 6.000 . 6.000 6.035 5.695 6.159 0.159 10 0 "[ . 1]" 1
264 1 28 PHE HA 1 57 VAL HA 5.840 . 5.840 3.789 3.374 4.075 . 0 0 "[ . 1]" 1
265 1 28 PHE HA 1 57 VAL HB 5.300 . 5.300 2.591 2.427 2.943 . 0 0 "[ . 1]" 1
266 1 28 PHE HA 1 57 VAL MG1 6.000 . 6.000 4.124 3.962 4.421 . 0 0 "[ . 1]" 1
267 1 28 PHE HA 1 57 VAL MG2 5.090 . 5.090 3.547 3.294 3.816 . 0 0 "[ . 1]" 1
268 1 28 PHE QB 1 29 THR H 4.410 . 4.410 3.134 2.863 3.234 . 0 0 "[ . 1]" 1
269 1 28 PHE QD 1 29 THR HA 5.780 . 5.780 3.664 3.226 5.670 . 0 0 "[ . 1]" 1
270 1 28 PHE QD 1 30 THR H 6.000 . 6.000 4.804 3.944 6.043 0.043 5 0 "[ . 1]" 1
271 1 28 PHE QD 1 57 VAL HB 5.480 . 5.480 4.589 3.201 4.904 . 0 0 "[ . 1]" 1
272 1 28 PHE QD 1 57 VAL MG1 5.510 . 5.510 5.055 3.231 5.462 . 0 0 "[ . 1]" 1
273 1 28 PHE QD 1 57 VAL MG2 4.670 . 4.670 3.715 3.403 3.947 . 0 0 "[ . 1]" 1
274 1 29 THR H 1 29 THR MG 4.640 . 4.640 4.013 3.986 4.046 . 0 0 "[ . 1]" 1
275 1 29 THR H 1 30 THR H 5.200 . 5.200 3.921 3.683 4.292 . 0 0 "[ . 1]" 1
276 1 29 THR H 1 30 THR HB 5.390 . 5.390 5.475 4.695 5.785 0.395 6 0 "[ . 1]" 1
277 1 29 THR H 1 55 PHE HA 5.220 . 5.220 4.217 3.680 4.652 . 0 0 "[ . 1]" 1
278 1 29 THR H 1 56 TYR H 4.880 . 4.880 2.984 2.733 3.248 . 0 0 "[ . 1]" 1
279 1 29 THR H 1 57 VAL HB 5.210 . 5.210 4.156 3.808 4.610 . 0 0 "[ . 1]" 1
280 1 29 THR H 1 57 VAL MG1 5.690 . 5.690 5.067 4.812 5.530 . 0 0 "[ . 1]" 1
281 1 29 THR H 1 57 VAL MG2 5.390 . 5.390 5.238 4.968 5.540 0.150 8 0 "[ . 1]" 1
282 1 29 THR HA 1 56 TYR H 6.000 . 6.000 5.298 4.941 5.664 . 0 0 "[ . 1]" 1
283 1 29 THR HB 1 30 THR H 5.160 . 5.160 4.170 3.805 4.354 . 0 0 "[ . 1]" 1
284 1 29 THR HB 1 31 TYR QE 5.540 . 5.540 2.743 2.398 3.922 . 0 0 "[ . 1]" 1
285 1 29 THR HB 1 56 TYR H 6.000 . 6.000 4.890 4.378 5.352 . 0 0 "[ . 1]" 1
286 1 29 THR HB 1 56 TYR QB 5.810 . 5.810 4.012 2.984 4.470 . 0 0 "[ . 1]" 1
287 1 29 THR MG 1 30 THR H 3.970 . 3.970 2.831 2.154 3.164 . 0 0 "[ . 1]" 1
288 1 29 THR MG 1 30 THR HA 5.870 . 5.870 4.118 3.700 4.388 . 0 0 "[ . 1]" 1
289 1 29 THR MG 1 30 THR HB 6.000 . 6.000 4.959 4.661 5.429 . 0 0 "[ . 1]" 1
290 1 29 THR MG 1 31 TYR QD 4.790 . 4.790 2.376 2.282 2.730 . 0 0 "[ . 1]" 1
291 1 29 THR MG 1 31 TYR QE 4.340 . 4.340 3.449 2.451 4.356 0.016 7 0 "[ . 1]" 1
292 1 30 THR H 1 30 THR MG 4.470 . 4.470 2.595 1.774 3.760 0.026 3 0 "[ . 1]" 1
293 1 30 THR H 1 31 TYR H 5.450 . 5.450 4.409 4.334 4.486 . 0 0 "[ . 1]" 1
294 1 30 THR H 1 31 TYR QD 6.000 . 6.000 4.580 4.274 5.016 . 0 0 "[ . 1]" 1
295 1 30 THR H 1 55 PHE HA 5.600 . 5.600 4.905 4.560 5.324 . 0 0 "[ . 1]" 1
296 1 30 THR H 1 55 PHE QD 6.000 . 6.000 4.832 4.458 5.424 . 0 0 "[ . 1]" 1
297 1 30 THR H 1 56 TYR H 5.530 . 5.530 5.277 4.670 5.596 0.066 1 0 "[ . 1]" 1
298 1 30 THR HA 1 31 TYR QD 5.880 . 5.880 4.008 3.259 4.181 . 0 0 "[ . 1]" 1
299 1 30 THR HA 1 55 PHE HA 4.890 . 4.890 2.922 2.652 3.379 . 0 0 "[ . 1]" 1
300 1 30 THR HA 1 55 PHE QD 5.540 . 5.540 4.230 3.818 4.652 . 0 0 "[ . 1]" 1
301 1 30 THR HA 1 56 TYR H 4.990 . 4.990 3.892 3.295 4.310 . 0 0 "[ . 1]" 1
302 1 30 THR HB 1 31 TYR H 5.080 . 5.080 4.179 4.036 4.394 . 0 0 "[ . 1]" 1
303 1 30 THR MG 1 31 TYR H 4.220 . 4.220 3.681 2.719 4.320 0.100 1 0 "[ . 1]" 1
304 1 30 THR MG 1 31 TYR QD 5.550 . 5.550 4.952 4.466 5.215 . 0 0 "[ . 1]" 1
305 1 30 THR MG 1 54 ILE H 5.200 . 5.200 3.965 2.435 5.195 . 0 0 "[ . 1]" 1
306 1 30 THR MG 1 55 PHE H 6.000 . 6.000 5.708 4.817 6.373 0.373 4 0 "[ . 1]" 1
307 1 30 THR MG 1 55 PHE HA 5.610 . 5.610 4.264 3.869 4.770 . 0 0 "[ . 1]" 1
308 1 30 THR MG 1 55 PHE QD 5.100 . 5.100 3.727 3.433 4.200 . 0 0 "[ . 1]" 1
309 1 30 THR MG 1 56 TYR H 5.680 . 5.680 5.420 4.880 5.863 0.183 1 0 "[ . 1]" 1
310 1 31 TYR H 1 31 TYR QD 4.820 . 4.820 2.871 2.426 3.152 . 0 0 "[ . 1]" 1
311 1 31 TYR H 1 31 TYR QE 6.000 . 6.000 3.977 3.695 4.151 . 0 0 "[ . 1]" 1
312 1 31 TYR H 1 32 THR H 5.770 . 5.770 4.395 4.271 4.417 . 0 0 "[ . 1]" 1
313 1 31 TYR H 1 54 ILE H 4.820 . 4.820 3.384 2.772 3.925 . 0 0 "[ . 1]" 1
314 1 31 TYR H 1 54 ILE HB 5.170 . 5.170 3.269 2.790 3.555 . 0 0 "[ . 1]" 1
315 1 31 TYR H 1 54 ILE MG 4.630 . 4.630 4.213 3.603 4.549 . 0 0 "[ . 1]" 1
316 1 31 TYR H 1 55 PHE HA 4.950 . 4.950 4.361 4.076 4.855 . 0 0 "[ . 1]" 1
317 1 31 TYR HA 1 32 THR MG 5.480 . 5.480 3.456 2.973 5.419 . 0 0 "[ . 1]" 1
318 1 31 TYR QB 1 32 THR H 5.420 . 5.420 2.440 2.214 3.077 . 0 0 "[ . 1]" 1
319 1 31 TYR QB 1 33 ALA H 5.660 . 5.660 4.699 4.513 4.960 . 0 0 "[ . 1]" 1
320 1 31 TYR QD 1 42 ILE HA 5.530 . 5.530 5.693 5.543 6.018 0.488 7 0 "[ . 1]" 1
321 1 31 TYR QD 1 42 ILE MD 4.950 . 4.950 3.930 3.556 4.611 . 0 0 "[ . 1]" 1
322 1 31 TYR QD 1 42 ILE MG 4.270 . 4.270 2.424 2.286 2.876 . 0 0 "[ . 1]" 1
323 1 31 TYR QD 1 54 ILE H 5.790 . 5.790 5.013 4.141 5.946 0.156 7 0 "[ . 1]" 1
324 1 31 TYR QD 1 54 ILE HB 4.800 . 4.800 3.477 2.618 4.479 . 0 0 "[ . 1]" 1
325 1 31 TYR QD 1 54 ILE MG 4.400 . 4.400 4.155 3.672 4.383 . 0 0 "[ . 1]" 1
326 1 31 TYR QE 1 32 THR H 6.000 . 6.000 5.955 5.610 6.160 0.160 7 0 "[ . 1]" 1
327 1 31 TYR QE 1 42 ILE HB 6.000 . 6.000 4.170 2.389 4.765 . 0 0 "[ . 1]" 1
328 1 31 TYR QE 1 42 ILE MD 4.340 . 4.340 2.481 2.146 2.896 . 0 0 "[ . 1]" 1
329 1 31 TYR QE 1 54 ILE HB 5.440 . 5.440 3.762 2.946 4.888 . 0 0 "[ . 1]" 1
330 1 31 TYR QE 1 54 ILE MG 4.200 . 4.200 3.312 2.543 3.911 . 0 0 "[ . 1]" 1
331 1 31 TYR QE 1 55 PHE H 6.000 . 6.000 6.051 5.602 6.229 0.229 8 0 "[ . 1]" 1
332 1 31 TYR QE 1 56 TYR H 5.380 . 5.380 4.440 3.925 4.977 . 0 0 "[ . 1]" 1
333 1 31 TYR QE 1 56 TYR HB2 4.620 . 4.620 3.408 2.463 3.796 . 0 0 "[ . 1]" 1
334 1 31 TYR QE 1 56 TYR HB3 4.620 . 4.620 3.023 2.385 3.732 . 0 0 "[ . 1]" 1
335 1 32 THR H 1 32 THR MG 4.600 . 4.600 2.613 2.108 4.017 . 0 0 "[ . 1]" 1
336 1 32 THR H 1 33 ALA H 4.100 . 4.100 3.836 3.763 4.104 0.004 7 0 "[ . 1]" 1
337 1 32 THR H 1 53 SER QB 6.000 . 6.000 6.130 5.903 6.245 0.245 8 0 "[ . 1]" 1
338 1 32 THR HA 1 54 ILE H 5.110 . 5.110 4.942 4.464 5.234 0.124 9 0 "[ . 1]" 1
339 1 32 THR HB 1 54 ILE H 6.000 . 6.000 3.509 3.014 4.378 . 0 0 "[ . 1]" 1
340 1 32 THR MG 1 53 SER HA 5.100 . 5.100 2.846 2.375 3.322 . 0 0 "[ . 1]" 1
341 1 33 ALA H 1 34 ALA H 4.790 . 4.790 4.003 3.881 4.078 . 0 0 "[ . 1]" 1
342 1 33 ALA H 1 34 ALA HA 5.510 . 5.510 4.483 4.429 4.522 . 0 0 "[ . 1]" 1
343 1 33 ALA H 1 35 GLN QG 6.000 . 6.000 5.342 4.733 5.630 . 0 0 "[ . 1]" 1
344 1 33 ALA H 1 42 ILE MG 5.340 . 5.340 2.618 2.189 2.947 . 0 0 "[ . 1]" 1
345 1 33 ALA H 1 46 PHE QB 5.810 . 5.810 3.233 2.875 3.587 . 0 0 "[ . 1]" 1
346 1 33 ALA H 1 46 PHE QD 5.270 . 5.270 4.373 3.674 4.870 . 0 0 "[ . 1]" 1
347 1 33 ALA HA 1 34 ALA MB 5.140 . 5.140 4.004 3.985 4.021 . 0 0 "[ . 1]" 1
348 1 33 ALA HA 1 35 GLN H 5.890 . 5.890 5.826 5.641 5.960 0.070 4 0 "[ . 1]" 1
349 1 33 ALA HA 1 35 GLN QE 5.700 . 5.700 4.777 4.484 5.300 . 0 0 "[ . 1]" 1
350 1 33 ALA HA 1 46 PHE H 5.490 . 5.490 5.586 5.504 5.748 0.258 5 0 "[ . 1]" 1
351 1 33 ALA MB 1 34 ALA H 3.540 . 3.540 3.051 2.962 3.190 . 0 0 "[ . 1]" 1
352 1 33 ALA MB 1 35 GLN QB 5.810 . 5.810 3.995 3.582 4.362 . 0 0 "[ . 1]" 1
353 1 33 ALA MB 1 35 GLN QE 4.860 . 4.860 2.423 2.014 3.482 . 0 0 "[ . 1]" 1
354 1 33 ALA MB 1 35 GLN QG 4.610 . 4.610 3.002 2.545 3.700 . 0 0 "[ . 1]" 1
355 1 33 ALA MB 1 43 ASN QB 6.000 . 6.000 6.084 5.892 6.364 0.364 4 0 "[ . 1]" 1
356 1 34 ALA H 1 34 ALA MB 3.330 . 3.330 2.246 2.222 2.298 . 0 0 "[ . 1]" 1
357 1 34 ALA H 1 35 GLN H 5.090 . 5.090 4.431 4.378 4.475 . 0 0 "[ . 1]" 1
358 1 34 ALA H 1 35 GLN HA 5.720 . 5.720 5.502 5.386 5.608 . 0 0 "[ . 1]" 1
359 1 34 ALA H 1 35 GLN QB 5.810 . 5.810 5.248 4.766 5.638 . 0 0 "[ . 1]" 1
360 1 34 ALA H 1 35 GLN QG 5.290 . 5.290 4.261 3.797 4.897 . 0 0 "[ . 1]" 1
361 1 34 ALA H 1 46 PHE H 4.950 . 4.950 5.323 5.217 5.386 0.436 10 0 "[ . 1]" 1
362 1 34 ALA H 1 46 PHE HB2 4.810 . 4.810 3.602 3.427 3.804 . 0 0 "[ . 1]" 1
363 1 34 ALA H 1 46 PHE HB3 4.810 . 4.810 3.081 2.920 3.334 . 0 0 "[ . 1]" 1
364 1 34 ALA H 1 46 PHE QD 5.730 . 5.730 2.744 2.204 3.244 . 0 0 "[ . 1]" 1
365 1 34 ALA HA 1 35 GLN QB 5.780 . 5.780 4.414 4.363 4.524 . 0 0 "[ . 1]" 1
366 1 34 ALA HA 1 42 ILE MG 5.900 . 5.900 4.513 4.000 4.919 . 0 0 "[ . 1]" 1
367 1 34 ALA HA 1 43 ASN HA 5.270 . 5.270 2.297 2.249 2.338 . 0 0 "[ . 1]" 1
368 1 34 ALA HA 1 43 ASN HD21 5.730 . 5.730 4.172 4.030 4.326 . 0 0 "[ . 1]" 1
369 1 34 ALA HA 1 43 ASN HD22 5.730 . 5.730 4.032 3.814 4.203 . 0 0 "[ . 1]" 1
370 1 34 ALA HA 1 46 PHE H 6.000 . 6.000 5.243 5.129 5.352 . 0 0 "[ . 1]" 1
371 1 34 ALA HA 1 46 PHE QD 5.520 . 5.520 4.580 4.211 4.961 . 0 0 "[ . 1]" 1
372 1 34 ALA MB 1 35 GLN H 4.210 . 4.210 3.215 3.058 3.331 . 0 0 "[ . 1]" 1
373 1 34 ALA MB 1 35 GLN HA 5.760 . 5.760 4.026 3.949 4.075 . 0 0 "[ . 1]" 1
374 1 34 ALA MB 1 35 GLN QG 5.830 . 5.830 4.283 3.999 4.649 . 0 0 "[ . 1]" 1
375 1 34 ALA MB 1 36 GLU H 6.000 . 6.000 5.709 5.530 5.971 . 0 0 "[ . 1]" 1
376 1 34 ALA MB 1 43 ASN H 4.920 . 4.920 4.853 4.598 5.050 0.130 7 0 "[ . 1]" 1
377 1 34 ALA MB 1 43 ASN HA 4.510 . 4.510 2.663 2.339 2.873 . 0 0 "[ . 1]" 1
378 1 34 ALA MB 1 43 ASN QB 5.490 . 5.490 2.319 2.165 2.493 . 0 0 "[ . 1]" 1
379 1 34 ALA MB 1 43 ASN QD 4.950 . 4.950 4.019 3.403 4.351 . 0 0 "[ . 1]" 1
380 1 34 ALA MB 1 46 PHE H 4.590 . 4.590 4.035 3.825 4.376 . 0 0 "[ . 1]" 1
381 1 34 ALA MB 1 46 PHE HA 6.000 . 6.000 5.004 4.904 5.199 . 0 0 "[ . 1]" 1
382 1 34 ALA MB 1 46 PHE HB2 4.840 . 4.840 3.741 3.393 3.988 . 0 0 "[ . 1]" 1
383 1 34 ALA MB 1 46 PHE QB 4.180 . 4.180 2.359 2.241 2.579 . 0 0 "[ . 1]" 1
384 1 34 ALA MB 1 46 PHE HB3 4.840 . 4.840 2.385 2.274 2.612 . 0 0 "[ . 1]" 1
385 1 34 ALA MB 1 46 PHE QD 4.890 . 4.890 2.366 2.234 2.551 . 0 0 "[ . 1]" 1
386 1 35 GLN H 1 35 GLN QG 4.630 . 4.630 2.917 2.297 3.299 . 0 0 "[ . 1]" 1
387 1 35 GLN H 1 36 GLU H 5.300 . 5.300 4.370 4.338 4.411 . 0 0 "[ . 1]" 1
388 1 35 GLN H 1 38 GLN H 4.910 . 4.910 4.593 4.272 4.889 . 0 0 "[ . 1]" 1
389 1 35 GLN H 1 42 ILE MG 6.000 . 6.000 5.446 4.599 6.086 0.086 9 0 "[ . 1]" 1
390 1 35 GLN H 1 43 ASN HA 5.650 . 5.650 4.035 3.969 4.178 . 0 0 "[ . 1]" 1
391 1 35 GLN H 1 43 ASN QB 5.070 . 5.070 3.304 2.956 3.863 . 0 0 "[ . 1]" 1
392 1 35 GLN H 1 43 ASN QD 4.640 . 4.640 2.717 2.568 2.953 . 0 0 "[ . 1]" 1
393 1 35 GLN HA 1 35 GLN QE 4.970 . 4.970 4.445 3.079 4.945 . 0 0 "[ . 1]" 1
394 1 35 GLN HA 1 43 ASN QD 5.810 . 5.810 4.629 4.147 4.979 . 0 0 "[ . 1]" 1
395 1 36 GLU H 1 36 GLU QB 3.730 . 3.730 2.350 2.253 2.566 . 0 0 "[ . 1]" 1
396 1 36 GLU H 1 36 GLU QG 4.360 . 4.360 3.022 1.844 4.071 . 0 0 "[ . 1]" 1
397 1 36 GLU H 1 37 GLY H 5.980 . 5.980 4.586 4.543 4.603 . 0 0 "[ . 1]" 1
398 1 36 GLU H 1 38 GLN H 5.780 . 5.780 4.538 4.361 4.921 . 0 0 "[ . 1]" 1
399 1 36 GLU HA 1 37 GLY QA 5.760 . 5.760 3.974 3.936 3.995 . 0 0 "[ . 1]" 1
400 1 36 GLU HA 1 38 GLN H 4.450 . 4.450 3.346 3.185 3.489 . 0 0 "[ . 1]" 1
401 1 36 GLU HA 1 43 ASN HD21 6.000 . 6.000 4.479 4.115 4.752 . 0 0 "[ . 1]" 1
402 1 36 GLU HA 1 43 ASN HD22 6.000 . 6.000 4.250 3.464 4.768 . 0 0 "[ . 1]" 1
403 1 36 GLU QB 1 37 GLY H 5.030 . 5.030 3.213 2.858 3.718 . 0 0 "[ . 1]" 1
404 1 36 GLU QG 1 37 GLY H 5.410 . 5.410 3.373 2.301 4.468 . 0 0 "[ . 1]" 1
405 1 36 GLU QG 1 37 GLY QA 5.090 . 5.090 4.225 3.067 5.392 0.302 2 0 "[ . 1]" 1
406 1 37 GLY H 1 38 GLN H 4.500 . 4.500 2.688 2.577 2.850 . 0 0 "[ . 1]" 1
407 1 37 GLY H 1 43 ASN HD21 6.000 . 6.000 5.213 4.555 5.970 . 0 0 "[ . 1]" 1
408 1 37 GLY H 1 43 ASN HD22 6.000 . 6.000 4.713 4.529 4.858 . 0 0 "[ . 1]" 1
409 1 38 GLN H 1 43 ASN QD 5.710 . 5.710 3.271 2.854 4.081 . 0 0 "[ . 1]" 1
410 1 38 GLN QB 1 42 ILE H 5.810 . 5.810 5.403 4.560 5.877 0.067 6 0 "[ . 1]" 1
411 1 38 GLN QB 1 42 ILE HB 4.720 . 4.720 4.142 3.131 4.658 . 0 0 "[ . 1]" 1
412 1 38 GLN QB 1 43 ASN QD 5.090 . 5.090 2.612 2.018 3.869 . 0 0 "[ . 1]" 1
413 1 39 PRO HA 1 40 GLU QB 4.880 . 4.880 4.372 4.348 4.408 . 0 0 "[ . 1]" 1
414 1 39 PRO HA 1 41 PHE H 5.220 . 5.220 3.586 3.461 3.680 . 0 0 "[ . 1]" 1
415 1 39 PRO HA 1 41 PHE QD 6.000 . 6.000 4.297 3.569 6.280 0.280 2 0 "[ . 1]" 1
416 1 39 PRO HA 1 42 ILE H 5.670 . 5.670 4.682 4.437 5.065 . 0 0 "[ . 1]" 1
417 1 39 PRO HA 1 81 THR MG 5.690 . 5.690 5.508 5.133 5.892 0.202 8 0 "[ . 1]" 1
418 1 40 GLU H 1 41 PHE H 4.950 . 4.950 2.605 2.514 2.832 . 0 0 "[ . 1]" 1
419 1 40 GLU H 1 41 PHE HA 6.000 . 6.000 5.185 5.110 5.379 . 0 0 "[ . 1]" 1
420 1 40 GLU H 1 42 ILE H 5.870 . 5.870 4.298 4.129 4.630 . 0 0 "[ . 1]" 1
421 1 40 GLU H 1 43 ASN QB 5.600 . 5.600 5.117 4.879 5.568 . 0 0 "[ . 1]" 1
422 1 40 GLU H 1 81 THR MG 5.320 . 5.320 3.974 3.801 4.435 . 0 0 "[ . 1]" 1
423 1 40 GLU HA 1 43 ASN H 5.080 . 5.080 3.039 2.852 3.366 . 0 0 "[ . 1]" 1
424 1 40 GLU HA 1 43 ASN QB 4.800 . 4.800 2.514 2.313 3.025 . 0 0 "[ . 1]" 1
425 1 40 GLU HA 1 43 ASN QD 5.120 . 5.120 2.594 2.154 3.024 . 0 0 "[ . 1]" 1
426 1 40 GLU QB 1 41 PHE H 4.400 . 4.400 2.893 2.649 2.970 . 0 0 "[ . 1]" 1
427 1 40 GLU QB 1 42 ILE H 6.000 . 6.000 4.565 4.191 5.026 . 0 0 "[ . 1]" 1
428 1 40 GLU QB 1 43 ASN QD 5.360 . 5.360 4.164 3.869 4.528 . 0 0 "[ . 1]" 1
429 1 40 GLU QB 1 81 THR H 5.150 . 5.150 5.335 4.797 5.594 0.444 2 0 "[ . 1]" 1
430 1 40 GLU QG 1 41 PHE H 4.800 . 4.800 4.270 4.109 4.623 . 0 0 "[ . 1]" 1
431 1 41 PHE H 1 41 PHE QD 4.910 . 4.910 2.722 1.973 4.184 . 0 0 "[ . 1]" 1
432 1 41 PHE H 1 42 ILE H 4.720 . 4.720 2.700 2.603 2.879 . 0 0 "[ . 1]" 1
433 1 41 PHE H 1 42 ILE QG 5.290 . 5.290 4.430 3.768 5.608 0.318 3 0 "[ . 1]" 1
434 1 41 PHE H 1 44 ARG QG 5.680 . 5.680 4.776 4.430 5.218 . 0 0 "[ . 1]" 1
435 1 41 PHE H 1 81 THR MG 4.930 . 4.930 3.100 2.406 3.451 . 0 0 "[ . 1]" 1
436 1 41 PHE HA 1 43 ASN H 5.050 . 5.050 4.661 4.527 4.808 . 0 0 "[ . 1]" 1
437 1 41 PHE HA 1 44 ARG QG 5.340 . 5.340 3.532 2.828 4.414 . 0 0 "[ . 1]" 1
438 1 41 PHE QD 1 44 ARG QG 5.810 . 5.810 5.026 4.384 5.953 0.143 2 0 "[ . 1]" 1
439 1 42 ILE H 1 42 ILE QG 4.550 . 4.550 2.702 1.897 3.849 . 0 0 "[ . 1]" 1
440 1 42 ILE H 1 42 ILE MG 4.740 . 4.740 3.773 3.643 3.851 . 0 0 "[ . 1]" 1
441 1 42 ILE H 1 43 ASN H 4.220 . 4.220 2.215 1.910 2.758 . 0 0 "[ . 1]" 1
442 1 42 ILE H 1 43 ASN QB 5.180 . 5.180 4.321 3.992 4.870 . 0 0 "[ . 1]" 1
443 1 42 ILE H 1 44 ARG H 5.150 . 5.150 3.834 3.539 4.202 . 0 0 "[ . 1]" 1
444 1 42 ILE H 1 81 THR MG 4.980 . 4.980 4.839 4.654 5.018 0.038 3 0 "[ . 1]" 1
445 1 42 ILE HA 1 45 LEU H 5.750 . 5.750 3.511 3.309 3.803 . 0 0 "[ . 1]" 1
446 1 42 ILE HA 1 45 LEU QD 4.710 . 4.710 2.407 2.153 2.705 . 0 0 "[ . 1]" 1
447 1 42 ILE HA 1 45 LEU HG 5.090 . 5.090 4.886 3.979 5.273 0.183 6 0 "[ . 1]" 1
448 1 42 ILE HA 1 46 PHE H 5.280 . 5.280 4.729 4.533 5.030 . 0 0 "[ . 1]" 1
449 1 42 ILE HA 1 54 ILE MG 5.380 . 5.380 4.100 3.755 4.460 . 0 0 "[ . 1]" 1
450 1 42 ILE HB 1 43 ASN H 4.060 . 4.060 2.692 2.416 2.883 . 0 0 "[ . 1]" 1
451 1 42 ILE HB 1 43 ASN HD21 6.000 . 6.000 5.783 5.484 5.955 . 0 0 "[ . 1]" 1
452 1 42 ILE HB 1 43 ASN HD22 6.000 . 6.000 5.092 4.883 5.311 . 0 0 "[ . 1]" 1
453 1 42 ILE MD 1 45 LEU HG 6.000 . 6.000 5.632 5.172 6.114 0.114 7 0 "[ . 1]" 1
454 1 42 ILE MD 1 54 ILE MG 4.580 . 4.580 2.424 2.118 3.328 . 0 0 "[ . 1]" 1
455 1 42 ILE MD 1 56 TYR H 6.000 . 6.000 6.206 6.003 6.325 0.325 7 0 "[ . 1]" 1
456 1 42 ILE MD 1 56 TYR QD 5.740 . 5.740 4.530 3.375 5.329 . 0 0 "[ . 1]" 1
457 1 42 ILE QG 1 43 ASN H 4.300 . 4.300 4.077 3.796 4.577 0.277 7 0 "[ . 1]" 1
458 1 42 ILE QG 1 43 ASN HA 5.570 . 5.570 5.686 5.625 5.754 0.184 7 0 "[ . 1]" 1
459 1 42 ILE QG 1 44 ARG H 6.000 . 6.000 5.778 5.619 6.130 0.130 2 0 "[ . 1]" 1
460 1 42 ILE MG 1 44 ARG H 6.000 . 6.000 4.993 4.752 5.142 . 0 0 "[ . 1]" 1
461 1 42 ILE MG 1 45 LEU H 5.430 . 5.430 4.505 4.358 4.873 . 0 0 "[ . 1]" 1
462 1 42 ILE MG 1 45 LEU HG 5.870 . 5.870 5.797 5.446 6.124 0.254 2 0 "[ . 1]" 1
463 1 42 ILE MG 1 46 PHE QD 5.710 . 5.710 5.293 4.975 5.655 . 0 0 "[ . 1]" 1
464 1 42 ILE MG 1 51 VAL QG 4.830 . 4.830 4.436 3.860 5.003 0.173 8 0 "[ . 1]" 1
465 1 42 ILE MG 1 54 ILE H 5.470 . 5.470 5.392 5.144 5.628 0.158 3 0 "[ . 1]" 1
466 1 42 ILE MG 1 54 ILE QG 5.040 . 5.040 3.374 2.470 3.964 . 0 0 "[ . 1]" 1
467 1 42 ILE MG 1 54 ILE MG 4.370 . 4.370 3.366 3.032 4.021 . 0 0 "[ . 1]" 1
468 1 43 ASN H 1 43 ASN QB 3.900 . 3.900 2.528 2.489 2.580 . 0 0 "[ . 1]" 1
469 1 43 ASN H 1 43 ASN HD21 4.530 . 4.530 3.950 3.725 4.145 . 0 0 "[ . 1]" 1
470 1 43 ASN H 1 43 ASN QD 3.970 . 3.970 3.564 3.412 3.697 . 0 0 "[ . 1]" 1
471 1 43 ASN H 1 43 ASN HD22 4.530 . 4.530 4.059 3.960 4.154 . 0 0 "[ . 1]" 1
472 1 43 ASN H 1 44 ARG H 4.400 . 4.400 2.700 2.633 2.757 . 0 0 "[ . 1]" 1
473 1 43 ASN H 1 81 THR MG 5.530 . 5.530 5.497 5.307 5.640 0.110 1 0 "[ . 1]" 1
474 1 43 ASN HA 1 44 ARG QB 6.000 . 6.000 5.417 5.355 5.707 . 0 0 "[ . 1]" 1
475 1 43 ASN HA 1 46 PHE H 4.580 . 4.580 3.398 3.325 3.507 . 0 0 "[ . 1]" 1
476 1 43 ASN HA 1 46 PHE QB 5.710 . 5.710 2.994 2.647 3.190 . 0 0 "[ . 1]" 1
477 1 43 ASN HA 1 46 PHE QD 5.380 . 5.380 4.774 4.226 5.040 . 0 0 "[ . 1]" 1
478 1 43 ASN QB 1 44 ARG H 4.320 . 4.320 2.600 2.549 2.666 . 0 0 "[ . 1]" 1
479 1 44 ARG H 1 44 ARG QB 3.650 . 3.650 2.424 2.313 2.943 . 0 0 "[ . 1]" 1
480 1 44 ARG H 1 44 ARG QG 4.730 . 4.730 2.135 1.630 2.323 0.170 4 0 "[ . 1]" 1
481 1 44 ARG H 1 45 LEU H 4.460 . 4.460 2.684 2.620 2.790 . 0 0 "[ . 1]" 1
482 1 44 ARG H 1 46 PHE H 5.330 . 5.330 4.261 4.111 4.332 . 0 0 "[ . 1]" 1
483 1 44 ARG H 1 47 GLU H 5.490 . 5.490 5.281 4.949 5.629 0.139 8 0 "[ . 1]" 1
484 1 44 ARG H 1 78 ILE MG 4.710 . 4.710 4.929 4.813 5.122 0.412 4 0 "[ . 1]" 1
485 1 44 ARG H 1 81 THR MG 4.910 . 4.910 4.876 4.157 5.067 0.157 3 0 "[ . 1]" 1
486 1 44 ARG HA 1 44 ARG QD 4.920 . 4.920 2.628 2.225 4.251 . 0 0 "[ . 1]" 1
487 1 44 ARG HA 1 47 GLU H 5.570 . 5.570 3.742 3.447 4.084 . 0 0 "[ . 1]" 1
488 1 44 ARG HA 1 47 GLU QB 5.080 . 5.080 2.915 2.512 3.740 . 0 0 "[ . 1]" 1
489 1 44 ARG HA 1 47 GLU QG 4.960 . 4.960 3.735 2.123 4.750 . 0 0 "[ . 1]" 1
490 1 44 ARG HA 1 78 ILE MG 5.050 . 5.050 5.094 4.793 5.217 0.167 2 0 "[ . 1]" 1
491 1 44 ARG QB 1 45 LEU H 4.400 . 4.400 2.663 2.361 2.787 . 0 0 "[ . 1]" 1
492 1 44 ARG QB 1 81 THR HA 6.000 . 6.000 6.237 6.019 6.362 0.362 5 0 "[ . 1]" 1
493 1 44 ARG QB 1 81 THR HB 6.000 . 6.000 5.216 4.572 6.060 0.060 8 0 "[ . 1]" 1
494 1 44 ARG QB 1 81 THR MG 4.890 . 4.890 4.331 3.282 4.781 . 0 0 "[ . 1]" 1
495 1 44 ARG QD 1 45 LEU H 4.990 . 4.990 4.944 4.657 5.032 0.042 7 0 "[ . 1]" 1
496 1 44 ARG QD 1 81 THR MG 4.800 . 4.800 4.112 2.300 5.123 0.323 6 0 "[ . 1]" 1
497 1 44 ARG QG 1 81 THR HA 5.810 . 5.810 4.729 4.498 5.498 . 0 0 "[ . 1]" 1
498 1 44 ARG QG 1 81 THR HB 5.810 . 5.810 4.223 3.557 5.717 . 0 0 "[ . 1]" 1
499 1 44 ARG QG 1 81 THR MG 5.260 . 5.260 3.188 2.038 3.868 . 0 0 "[ . 1]" 1
500 1 45 LEU H 1 45 LEU QD 3.820 . 3.820 2.095 1.761 3.182 0.039 2 0 "[ . 1]" 1
501 1 45 LEU H 1 45 LEU HG 4.710 . 4.710 3.547 2.639 3.823 . 0 0 "[ . 1]" 1
502 1 45 LEU H 1 46 PHE H 4.420 . 4.420 2.723 2.631 2.831 . 0 0 "[ . 1]" 1
503 1 45 LEU H 1 46 PHE HA 5.280 . 5.280 5.314 5.235 5.418 0.138 10 0 "[ . 1]" 1
504 1 45 LEU H 1 46 PHE HB2 5.580 . 5.580 5.054 4.950 5.211 . 0 0 "[ . 1]" 1
505 1 45 LEU H 1 46 PHE QB 4.920 . 4.920 4.463 4.371 4.573 . 0 0 "[ . 1]" 1
506 1 45 LEU H 1 46 PHE HB3 5.580 . 5.580 4.969 4.847 5.064 . 0 0 "[ . 1]" 1
507 1 45 LEU H 1 51 VAL QG 5.430 . 5.430 4.715 4.432 5.089 . 0 0 "[ . 1]" 1
508 1 45 LEU HA 1 45 LEU QD 4.020 . 4.020 2.405 2.234 2.577 . 0 0 "[ . 1]" 1
509 1 45 LEU HA 1 47 GLU H 4.630 . 4.630 3.619 3.331 4.095 . 0 0 "[ . 1]" 1
510 1 45 LEU HA 1 47 GLU QB 5.660 . 5.660 4.442 4.221 4.862 . 0 0 "[ . 1]" 1
511 1 45 LEU QB 1 46 PHE H 4.620 . 4.620 2.712 2.675 2.768 . 0 0 "[ . 1]" 1
512 1 45 LEU QB 1 51 VAL QG 4.980 . 4.980 2.218 2.031 2.752 . 0 0 "[ . 1]" 1
513 1 45 LEU QD 1 46 PHE H 4.400 . 4.400 3.858 3.705 4.211 . 0 0 "[ . 1]" 1
514 1 45 LEU QD 1 46 PHE QB 5.430 . 5.430 4.818 4.713 4.993 . 0 0 "[ . 1]" 1
515 1 45 LEU HG 1 74 LEU HG 3.710 . 3.710 3.899 3.676 4.069 0.359 3 0 "[ . 1]" 1
516 1 46 PHE H 1 47 GLU H 4.360 . 4.360 2.696 2.600 2.800 . 0 0 "[ . 1]" 1
517 1 46 PHE H 1 48 ILE H 4.560 . 4.560 4.490 4.094 4.756 0.196 10 0 "[ . 1]" 1
518 1 46 PHE H 1 51 VAL MG1 5.120 . 5.120 4.208 3.461 4.602 . 0 0 "[ . 1]" 1
519 1 46 PHE H 1 51 VAL QG 4.220 . 4.220 3.776 3.383 4.052 . 0 0 "[ . 1]" 1
520 1 46 PHE H 1 51 VAL MG2 5.120 . 5.120 4.453 4.071 5.031 . 0 0 "[ . 1]" 1
521 1 46 PHE HA 1 51 VAL H 4.820 . 4.820 5.142 4.907 5.292 0.472 5 0 "[ . 1]" 1
522 1 46 PHE HA 1 51 VAL MG1 5.450 . 5.450 3.166 2.222 3.927 . 0 0 "[ . 1]" 1
523 1 46 PHE HA 1 51 VAL QG 4.580 . 4.580 2.536 2.213 3.475 . 0 0 "[ . 1]" 1
524 1 46 PHE HA 1 51 VAL MG2 5.450 . 5.450 3.424 2.237 4.480 . 0 0 "[ . 1]" 1
525 1 46 PHE QB 1 48 ILE H 5.280 . 5.280 4.874 4.510 5.314 0.034 10 0 "[ . 1]" 1
526 1 46 PHE QB 1 51 VAL QG 5.610 . 5.610 3.664 3.389 4.289 . 0 0 "[ . 1]" 1
527 1 46 PHE QD 1 47 GLU H 5.650 . 5.650 4.419 3.844 4.700 . 0 0 "[ . 1]" 1
528 1 46 PHE QD 1 51 VAL HB 5.810 . 5.810 5.006 3.754 5.899 0.089 2 0 "[ . 1]" 1
529 1 46 PHE QD 1 51 VAL QG 5.050 . 5.050 3.198 2.601 4.255 . 0 0 "[ . 1]" 1
530 1 47 GLU H 1 47 GLU HB2 4.050 . 4.050 2.527 2.306 2.721 . 0 0 "[ . 1]" 1
531 1 47 GLU H 1 47 GLU QB 3.540 . 3.540 2.358 2.196 2.458 . 0 0 "[ . 1]" 1
532 1 47 GLU H 1 47 GLU HB3 4.050 . 4.050 3.039 2.605 3.669 . 0 0 "[ . 1]" 1
533 1 47 GLU H 1 47 GLU QG 4.230 . 4.230 3.330 2.020 4.163 . 0 0 "[ . 1]" 1
534 1 47 GLU H 1 51 VAL QG 5.680 . 5.680 4.320 3.857 4.996 . 0 0 "[ . 1]" 1
535 1 47 GLU QG 1 48 ILE H 5.150 . 5.150 4.142 3.950 4.484 . 0 0 "[ . 1]" 1
536 1 48 ILE H 1 48 ILE HB 3.900 . 3.900 3.479 2.544 3.796 . 0 0 "[ . 1]" 1
537 1 48 ILE H 1 48 ILE MD 4.210 . 4.210 3.786 3.603 4.244 0.034 6 0 "[ . 1]" 1
538 1 48 ILE H 1 48 ILE QG 4.270 . 4.270 2.636 1.954 4.190 . 0 0 "[ . 1]" 1
539 1 48 ILE H 1 48 ILE MG 4.190 . 4.190 2.601 2.047 2.722 . 0 0 "[ . 1]" 1
540 1 48 ILE H 1 49 GLU H 4.810 . 4.810 4.447 4.416 4.481 . 0 0 "[ . 1]" 1
541 1 48 ILE H 1 51 VAL QG 5.230 . 5.230 3.818 3.530 4.200 . 0 0 "[ . 1]" 1
542 1 48 ILE MD 1 49 GLU H 4.010 . 4.010 3.152 1.770 3.608 0.030 6 0 "[ . 1]" 1
543 1 48 ILE MD 1 49 GLU HA 5.540 . 5.540 3.894 3.699 4.074 . 0 0 "[ . 1]" 1
544 1 48 ILE MD 1 50 GLY H 5.520 . 5.520 4.183 3.897 4.470 . 0 0 "[ . 1]" 1
545 1 48 ILE MD 1 51 VAL H 3.840 . 3.840 3.365 3.024 4.348 0.508 1 1 "[+ . 1]" 1
546 1 48 ILE QG 1 49 GLU H 5.060 . 5.060 3.909 2.138 4.312 . 0 0 "[ . 1]" 1
547 1 48 ILE QG 1 50 GLY QA 5.500 . 5.500 5.153 4.784 5.621 0.121 1 0 "[ . 1]" 1
548 1 48 ILE QG 1 69 ALA MB 4.660 . 4.660 4.681 4.477 4.977 0.317 6 0 "[ . 1]" 1
549 1 48 ILE QG 1 74 LEU H 4.980 . 4.980 4.850 4.063 5.281 0.301 9 0 "[ . 1]" 1
550 1 48 ILE MG 1 74 LEU HA 4.820 . 4.820 4.226 3.825 4.842 0.022 1 0 "[ . 1]" 1
551 1 49 GLU H 1 49 GLU QB 3.680 . 3.680 2.429 2.201 2.609 . 0 0 "[ . 1]" 1
552 1 49 GLU H 1 49 GLU QG 4.270 . 4.270 2.364 2.028 3.929 . 0 0 "[ . 1]" 1
553 1 49 GLU H 1 50 GLY H 4.990 . 4.990 4.599 4.526 4.629 . 0 0 "[ . 1]" 1
554 1 49 GLU HA 1 50 GLY QA 5.510 . 5.510 3.976 3.945 4.011 . 0 0 "[ . 1]" 1
555 1 49 GLU HA 1 51 VAL H 4.420 . 4.420 3.774 3.566 4.102 . 0 0 "[ . 1]" 1
556 1 49 GLU QB 1 50 GLY H 4.420 . 4.420 3.037 2.738 3.748 . 0 0 "[ . 1]" 1
557 1 49 GLU QG 1 50 GLY H 4.620 . 4.620 3.783 3.295 3.941 . 0 0 "[ . 1]" 1
558 1 49 GLU QG 1 50 GLY HA2 5.910 . 5.910 4.025 3.455 4.430 . 0 0 "[ . 1]" 1
559 1 49 GLU QG 1 50 GLY QA 5.210 . 5.210 3.558 3.217 3.788 . 0 0 "[ . 1]" 1
560 1 49 GLU QG 1 50 GLY HA3 5.910 . 5.910 3.977 3.835 4.114 . 0 0 "[ . 1]" 1
561 1 49 GLU QG 1 68 ASN H 6.000 . 6.000 6.146 6.045 6.268 0.268 9 0 "[ . 1]" 1
562 1 49 GLU QG 1 69 ALA H 5.920 . 5.920 5.968 5.811 6.042 0.122 1 0 "[ . 1]" 1
563 1 49 GLU QG 1 69 ALA MB 5.220 . 5.220 4.564 3.875 4.967 . 0 0 "[ . 1]" 1
564 1 49 GLU QG 1 70 ASN H 5.790 . 5.790 6.115 5.965 6.292 0.502 6 1 "[ .+ 1]" 1
565 1 50 GLY H 1 51 VAL H 4.050 . 4.050 2.655 2.534 2.867 . 0 0 "[ . 1]" 1
566 1 50 GLY H 1 51 VAL HB 5.980 . 5.980 5.112 4.466 5.788 . 0 0 "[ . 1]" 1
567 1 50 GLY H 1 51 VAL QG 5.730 . 5.730 3.479 3.128 4.138 . 0 0 "[ . 1]" 1
568 1 50 GLY H 1 65 LYS HA 6.000 . 6.000 5.712 5.452 5.915 . 0 0 "[ . 1]" 1
569 1 50 GLY H 1 66 GLU H 5.720 . 5.720 4.843 4.577 5.061 . 0 0 "[ . 1]" 1
570 1 50 GLY H 1 69 ALA MB 5.310 . 5.310 4.836 4.594 5.035 . 0 0 "[ . 1]" 1
571 1 50 GLY QA 1 51 VAL QG 5.730 . 5.730 3.733 3.440 4.001 . 0 0 "[ . 1]" 1
572 1 50 GLY QA 1 66 GLU QG 4.950 . 4.950 3.673 2.748 4.237 . 0 0 "[ . 1]" 1
573 1 50 GLY QA 1 68 ASN H 4.620 . 4.620 4.563 4.480 4.729 0.109 2 0 "[ . 1]" 1
574 1 50 GLY QA 1 69 ALA H 5.150 . 5.150 4.206 3.795 4.549 . 0 0 "[ . 1]" 1
575 1 50 GLY HA2 1 66 GLU H 6.000 . 6.000 2.776 2.373 3.091 . 0 0 "[ . 1]" 1
576 1 50 GLY HA2 1 66 GLU QG 5.780 . 5.780 3.799 2.795 4.433 . 0 0 "[ . 1]" 1
577 1 50 GLY HA2 1 69 ALA MB 4.800 . 4.800 3.368 3.045 3.767 . 0 0 "[ . 1]" 1
578 1 50 GLY HA3 1 66 GLU H 6.000 . 6.000 3.086 2.549 3.533 . 0 0 "[ . 1]" 1
579 1 50 GLY HA3 1 66 GLU QG 5.780 . 5.780 4.929 4.053 5.423 . 0 0 "[ . 1]" 1
580 1 50 GLY HA3 1 69 ALA MB 4.800 . 4.800 2.289 2.197 2.420 . 0 0 "[ . 1]" 1
581 1 51 VAL H 1 51 VAL HB 3.760 . 3.760 2.833 2.451 3.575 . 0 0 "[ . 1]" 1
582 1 51 VAL H 1 51 VAL MG1 4.260 . 4.260 2.598 1.952 3.745 . 0 0 "[ . 1]" 1
583 1 51 VAL H 1 51 VAL QG 3.630 . 3.630 1.905 1.734 2.122 0.066 5 0 "[ . 1]" 1
584 1 51 VAL H 1 51 VAL MG2 4.260 . 4.260 2.620 1.800 3.755 0.000 8 0 "[ . 1]" 1
585 1 51 VAL H 1 52 LYS H 5.650 . 5.650 4.497 4.425 4.591 . 0 0 "[ . 1]" 1
586 1 51 VAL HA 1 53 SER H 4.770 . 4.770 3.849 3.661 3.996 . 0 0 "[ . 1]" 1
587 1 51 VAL HA 1 63 ILE MG 5.600 . 5.600 3.950 3.370 4.272 . 0 0 "[ . 1]" 1
588 1 51 VAL HA 1 65 LYS H 4.550 . 4.550 4.756 4.670 4.851 0.301 6 0 "[ . 1]" 1
589 1 51 VAL HA 1 65 LYS HA 5.070 . 5.070 2.373 2.326 2.464 . 0 0 "[ . 1]" 1
590 1 51 VAL HA 1 66 GLU H 5.870 . 5.870 3.900 3.760 4.015 . 0 0 "[ . 1]" 1
591 1 51 VAL HB 1 52 LYS H 5.430 . 5.430 4.075 3.405 4.431 . 0 0 "[ . 1]" 1
592 1 51 VAL HB 1 65 LYS HA 6.000 . 6.000 4.878 4.416 5.369 . 0 0 "[ . 1]" 1
593 1 51 VAL QG 1 52 LYS H 4.210 . 4.210 3.049 2.477 3.650 . 0 0 "[ . 1]" 1
594 1 51 VAL QG 1 53 SER H 4.550 . 4.550 3.313 2.598 4.370 . 0 0 "[ . 1]" 1
595 1 51 VAL QG 1 53 SER HA 5.660 . 5.660 3.892 3.361 5.107 . 0 0 "[ . 1]" 1
596 1 51 VAL QG 1 54 ILE HA 5.460 . 5.460 4.693 4.057 5.803 0.343 5 0 "[ . 1]" 1
597 1 51 VAL QG 1 54 ILE QG 4.140 . 4.140 2.829 2.303 3.756 . 0 0 "[ . 1]" 1
598 1 51 VAL QG 1 63 ILE MG 3.850 . 3.850 2.694 2.460 3.026 . 0 0 "[ . 1]" 1
599 1 51 VAL QG 1 64 ASP H 5.100 . 5.100 4.148 3.609 4.934 . 0 0 "[ . 1]" 1
600 1 51 VAL MG1 1 52 LYS H 5.130 . 5.130 3.684 2.669 4.145 . 0 0 "[ . 1]" 1
601 1 51 VAL MG2 1 52 LYS H 5.130 . 5.130 3.620 2.506 4.298 . 0 0 "[ . 1]" 1
602 1 52 LYS H 1 53 SER H 4.070 . 4.070 2.227 1.883 2.467 . 0 0 "[ . 1]" 1
603 1 52 LYS H 1 63 ILE MG 5.600 . 5.600 4.723 3.983 5.092 . 0 0 "[ . 1]" 1
604 1 52 LYS H 1 64 ASP HB2 5.810 . 5.810 4.821 3.411 5.815 0.005 3 0 "[ . 1]" 1
605 1 52 LYS H 1 64 ASP HB3 5.810 . 5.810 4.017 3.508 4.738 . 0 0 "[ . 1]" 1
606 1 52 LYS H 1 65 LYS HA 4.930 . 4.930 2.768 2.191 3.411 . 0 0 "[ . 1]" 1
607 1 52 LYS H 1 65 LYS QB 6.000 . 6.000 4.492 3.499 5.258 . 0 0 "[ . 1]" 1
608 1 52 LYS H 1 66 GLU H 5.550 . 5.550 4.255 3.866 4.950 . 0 0 "[ . 1]" 1
609 1 52 LYS QB 1 53 SER H 4.140 . 4.140 2.517 2.304 2.778 . 0 0 "[ . 1]" 1
610 1 52 LYS QB 1 64 ASP H 5.450 . 5.450 5.019 4.494 5.468 0.018 1 0 "[ . 1]" 1
611 1 52 LYS QB 1 64 ASP QB 5.180 . 5.180 2.998 2.523 3.365 . 0 0 "[ . 1]" 1
612 1 52 LYS QE 1 64 ASP QB 5.630 . 5.630 5.140 3.609 5.736 0.106 7 0 "[ . 1]" 1
613 1 53 SER H 1 54 ILE H 5.350 . 5.350 4.334 4.304 4.348 . 0 0 "[ . 1]" 1
614 1 53 SER H 1 63 ILE MG 4.960 . 4.960 4.697 3.961 5.163 0.203 10 0 "[ . 1]" 1
615 1 53 SER H 1 64 ASP H 4.690 . 4.690 3.756 3.369 4.026 . 0 0 "[ . 1]" 1
616 1 53 SER H 1 64 ASP HA 5.390 . 5.390 5.336 5.073 5.482 0.092 10 0 "[ . 1]" 1
617 1 53 SER H 1 64 ASP HB2 4.680 . 4.680 3.952 2.902 4.820 0.140 3 0 "[ . 1]" 1
618 1 53 SER H 1 64 ASP QB 4.080 . 4.080 2.925 2.547 3.305 . 0 0 "[ . 1]" 1
619 1 53 SER H 1 64 ASP HB3 4.680 . 4.680 3.452 2.568 4.518 . 0 0 "[ . 1]" 1
620 1 53 SER QB 1 54 ILE H 4.350 . 4.350 2.474 2.290 2.648 . 0 0 "[ . 1]" 1
621 1 53 SER QB 1 54 ILE HA 6.000 . 6.000 4.328 4.047 4.555 . 0 0 "[ . 1]" 1
622 1 53 SER QB 1 64 ASP H 5.460 . 5.460 5.216 4.719 5.525 0.065 7 0 "[ . 1]" 1
623 1 53 SER QB 1 64 ASP HB2 5.910 . 5.910 4.852 3.795 5.708 . 0 0 "[ . 1]" 1
624 1 53 SER QB 1 64 ASP QB 5.070 . 5.070 4.136 3.548 4.579 . 0 0 "[ . 1]" 1
625 1 53 SER QB 1 64 ASP HB3 5.910 . 5.910 4.796 3.686 5.949 0.039 5 0 "[ . 1]" 1
626 1 54 ILE H 1 54 ILE MG 4.570 . 4.570 3.904 3.863 3.937 . 0 0 "[ . 1]" 1
627 1 54 ILE H 1 64 ASP H 5.620 . 5.620 5.428 5.074 5.670 0.050 10 0 "[ . 1]" 1
628 1 54 ILE HA 1 55 PHE HA 5.400 . 5.400 4.441 4.424 4.473 . 0 0 "[ . 1]" 1
629 1 54 ILE HA 1 55 PHE QB 5.960 . 5.960 4.282 3.975 4.398 . 0 0 "[ . 1]" 1
630 1 54 ILE HA 1 62 SER H 5.550 . 5.550 5.233 4.828 5.501 . 0 0 "[ . 1]" 1
631 1 54 ILE HA 1 64 ASP H 4.980 . 4.980 3.444 3.045 3.847 . 0 0 "[ . 1]" 1
632 1 54 ILE HB 1 55 PHE H 5.310 . 5.310 4.001 3.712 4.231 . 0 0 "[ . 1]" 1
633 1 54 ILE MG 1 55 PHE H 4.330 . 4.330 2.398 2.066 2.766 . 0 0 "[ . 1]" 1
634 1 54 ILE MG 1 55 PHE HA 5.960 . 5.960 3.769 3.514 3.961 . 0 0 "[ . 1]" 1
635 1 54 ILE MG 1 55 PHE QB 6.000 . 6.000 4.126 3.964 4.335 . 0 0 "[ . 1]" 1
636 1 54 ILE MG 1 62 SER H 5.110 . 5.110 4.163 3.661 4.719 . 0 0 "[ . 1]" 1
637 1 55 PHE H 1 55 PHE QD 5.440 . 5.440 2.801 2.051 4.287 . 0 0 "[ . 1]" 1
638 1 55 PHE H 1 56 TYR H 5.660 . 5.660 4.377 4.168 4.477 . 0 0 "[ . 1]" 1
639 1 55 PHE H 1 62 SER H 5.040 . 5.040 3.436 3.019 3.661 . 0 0 "[ . 1]" 1
640 1 55 PHE H 1 62 SER QB 5.200 . 5.200 4.209 3.243 5.163 . 0 0 "[ . 1]" 1
641 1 55 PHE H 1 63 ILE H 5.940 . 5.940 5.338 5.119 5.529 . 0 0 "[ . 1]" 1
642 1 55 PHE H 1 63 ILE HA 5.330 . 5.330 3.727 3.488 3.882 . 0 0 "[ . 1]" 1
643 1 55 PHE QB 1 62 SER H 4.980 . 4.980 2.779 2.593 3.008 . 0 0 "[ . 1]" 1
644 1 55 PHE QB 1 62 SER QB 4.830 . 4.830 2.839 2.216 4.142 . 0 0 "[ . 1]" 1
645 1 55 PHE QD 1 56 TYR H 5.180 . 5.180 3.993 3.180 4.262 . 0 0 "[ . 1]" 1
646 1 55 PHE QD 1 62 SER QB 5.160 . 5.160 3.508 2.749 4.359 . 0 0 "[ . 1]" 1
647 1 56 TYR H 1 57 VAL HA 5.880 . 5.880 5.210 5.119 5.253 . 0 0 "[ . 1]" 1
648 1 56 TYR H 1 57 VAL MG1 5.910 . 5.910 4.195 4.018 4.361 . 0 0 "[ . 1]" 1
649 1 56 TYR H 1 61 ILE MG 5.020 . 5.020 4.716 4.103 4.867 . 0 0 "[ . 1]" 1
650 1 56 TYR H 1 62 SER H 6.000 . 6.000 5.406 5.103 5.689 . 0 0 "[ . 1]" 1
651 1 56 TYR HA 1 56 TYR QD 4.520 . 4.520 2.595 2.275 2.991 . 0 0 "[ . 1]" 1
652 1 56 TYR HA 1 56 TYR QE 5.440 . 5.440 4.551 4.418 4.643 . 0 0 "[ . 1]" 1
653 1 56 TYR HA 1 57 VAL MG1 5.970 . 5.970 3.703 3.612 3.783 . 0 0 "[ . 1]" 1
654 1 56 TYR HA 1 61 ILE HA 5.460 . 5.460 3.360 2.938 3.863 . 0 0 "[ . 1]" 1
655 1 56 TYR HA 1 61 ILE HB 6.000 . 6.000 3.739 3.468 5.053 . 0 0 "[ . 1]" 1
656 1 56 TYR HA 1 61 ILE MG 4.400 . 4.400 2.262 2.160 2.303 . 0 0 "[ . 1]" 1
657 1 56 TYR HA 1 62 SER H 6.000 . 6.000 4.365 4.108 4.724 . 0 0 "[ . 1]" 1
658 1 56 TYR QB 1 61 ILE MG 4.330 . 4.330 3.271 3.013 3.472 . 0 0 "[ . 1]" 1
659 1 56 TYR HB2 1 57 VAL H 5.320 . 5.320 4.307 4.234 4.395 . 0 0 "[ . 1]" 1
660 1 56 TYR HB2 1 61 ILE MG 5.070 . 5.070 3.359 3.072 3.586 . 0 0 "[ . 1]" 1
661 1 56 TYR HB3 1 57 VAL H 5.320 . 5.320 4.396 4.258 4.476 . 0 0 "[ . 1]" 1
662 1 56 TYR HB3 1 61 ILE MG 5.070 . 5.070 4.507 4.353 4.634 . 0 0 "[ . 1]" 1
663 1 56 TYR QD 1 57 VAL H 4.620 . 4.620 3.365 2.785 3.716 . 0 0 "[ . 1]" 1
664 1 56 TYR QD 1 61 ILE H 5.920 . 5.920 6.030 5.986 6.105 0.185 4 0 "[ . 1]" 1
665 1 56 TYR QD 1 61 ILE HA 5.200 . 5.200 4.687 4.498 4.992 . 0 0 "[ . 1]" 1
666 1 56 TYR QD 1 61 ILE MG 4.100 . 4.100 2.181 2.081 2.626 . 0 0 "[ . 1]" 1
667 1 56 TYR QE 1 57 VAL H 5.240 . 5.240 4.500 4.259 4.693 . 0 0 "[ . 1]" 1
668 1 56 TYR QE 1 57 VAL HA 5.790 . 5.790 4.306 3.883 4.713 . 0 0 "[ . 1]" 1
669 1 56 TYR QE 1 60 PHE H 5.640 . 5.640 5.713 5.621 5.897 0.257 6 0 "[ . 1]" 1
670 1 56 TYR QE 1 61 ILE MG 4.680 . 4.680 3.493 3.164 4.236 . 0 0 "[ . 1]" 1
671 1 57 VAL H 1 57 VAL MG1 4.620 . 4.620 2.469 2.437 2.509 . 0 0 "[ . 1]" 1
672 1 57 VAL H 1 57 VAL MG2 4.560 . 4.560 4.004 3.988 4.014 . 0 0 "[ . 1]" 1
673 1 57 VAL H 1 60 PHE H 4.980 . 4.980 4.306 3.903 4.615 . 0 0 "[ . 1]" 1
674 1 57 VAL H 1 61 ILE H 5.410 . 5.410 5.543 5.494 5.613 0.203 3 0 "[ . 1]" 1
675 1 57 VAL H 1 62 SER H 5.860 . 5.860 5.041 4.774 5.199 . 0 0 "[ . 1]" 1
676 1 57 VAL MG1 1 58 LEU H 5.480 . 5.480 3.699 3.606 3.800 . 0 0 "[ . 1]" 1
677 1 57 VAL MG1 1 58 LEU HA 5.590 . 5.590 4.758 4.705 4.841 . 0 0 "[ . 1]" 1
678 1 57 VAL MG1 1 58 LEU QB 4.770 . 4.770 2.747 2.651 2.887 . 0 0 "[ . 1]" 1
679 1 57 VAL MG1 1 58 LEU QD 5.030 . 5.030 3.710 2.667 3.966 . 0 0 "[ . 1]" 1
680 1 57 VAL MG1 1 59 ASP H 6.000 . 6.000 5.189 4.714 5.472 . 0 0 "[ . 1]" 1
681 1 57 VAL MG1 1 60 PHE H 4.980 . 4.980 4.285 3.975 4.532 . 0 0 "[ . 1]" 1
682 1 57 VAL MG1 1 60 PHE QD 4.680 . 4.680 3.931 3.640 4.222 . 0 0 "[ . 1]" 1
683 1 57 VAL MG1 1 62 SER H 5.770 . 5.770 4.569 4.339 4.828 . 0 0 "[ . 1]" 1
684 1 57 VAL MG2 1 58 LEU H 4.230 . 4.230 2.192 2.043 2.334 . 0 0 "[ . 1]" 1
685 1 57 VAL MG2 1 58 LEU HA 5.170 . 5.170 3.559 3.484 3.635 . 0 0 "[ . 1]" 1
686 1 57 VAL MG2 1 58 LEU QB 4.210 . 4.210 2.413 2.314 2.822 . 0 0 "[ . 1]" 1
687 1 58 LEU H 1 58 LEU MD1 4.650 . 4.650 4.147 3.537 4.638 . 0 0 "[ . 1]" 1
688 1 58 LEU H 1 58 LEU QD 3.990 . 3.990 3.344 2.654 3.938 . 0 0 "[ . 1]" 1
689 1 58 LEU H 1 58 LEU MD2 4.650 . 4.650 3.782 2.698 4.913 0.263 8 0 "[ . 1]" 1
690 1 58 LEU H 1 58 LEU HG 5.160 . 5.160 4.316 2.760 5.033 . 0 0 "[ . 1]" 1
691 1 58 LEU H 1 60 PHE H 6.000 . 6.000 4.893 4.819 4.937 . 0 0 "[ . 1]" 1
692 1 58 LEU HA 1 58 LEU MD1 4.640 . 4.640 2.823 2.142 3.801 . 0 0 "[ . 1]" 1
693 1 58 LEU HA 1 58 LEU QD 3.780 . 3.780 2.137 1.955 2.314 . 0 0 "[ . 1]" 1
694 1 58 LEU HA 1 58 LEU MD2 4.640 . 4.640 2.566 2.185 3.810 . 0 0 "[ . 1]" 1
695 1 58 LEU HA 1 60 PHE H 5.300 . 5.300 4.377 4.186 4.638 . 0 0 "[ . 1]" 1
696 1 58 LEU HA 1 60 PHE QD 5.990 . 5.990 5.354 5.207 5.524 . 0 0 "[ . 1]" 1
697 1 58 LEU QB 1 60 PHE QD 4.940 . 4.940 2.589 2.358 2.962 . 0 0 "[ . 1]" 1
698 1 58 LEU HB2 1 59 ASP H 4.510 . 4.510 3.324 3.155 3.454 . 0 0 "[ . 1]" 1
699 1 58 LEU HB3 1 59 ASP H 4.510 . 4.510 1.828 1.742 1.950 0.058 4 0 "[ . 1]" 1
700 1 58 LEU QD 1 59 ASP H 3.880 . 3.880 2.026 1.695 2.831 0.105 5 0 "[ . 1]" 1
701 1 58 LEU QD 1 60 PHE QD 4.770 . 4.770 2.972 2.297 3.772 . 0 0 "[ . 1]" 1
702 1 58 LEU MD1 1 59 ASP H 4.430 . 4.430 2.824 1.774 4.134 0.026 7 0 "[ . 1]" 1
703 1 58 LEU MD2 1 59 ASP H 4.430 . 4.430 2.862 1.701 3.999 0.099 5 0 "[ . 1]" 1
704 1 58 LEU HG 1 59 ASP H 3.960 . 3.960 3.270 1.859 4.217 0.257 4 0 "[ . 1]" 1
705 1 58 LEU HG 1 60 PHE H 5.480 . 5.480 5.001 4.270 5.402 . 0 0 "[ . 1]" 1
706 1 58 LEU HG 1 60 PHE QD 5.530 . 5.530 4.430 3.679 5.742 0.212 4 0 "[ . 1]" 1
707 1 59 ASP H 1 60 PHE H 4.290 . 4.290 2.562 2.442 2.643 . 0 0 "[ . 1]" 1
708 1 59 ASP H 1 60 PHE QD 5.040 . 5.040 3.034 2.542 3.286 . 0 0 "[ . 1]" 1
709 1 60 PHE H 1 60 PHE QD 4.630 . 4.630 2.953 2.711 3.076 . 0 0 "[ . 1]" 1
710 1 60 PHE H 1 61 ILE MG 5.100 . 5.100 4.172 3.927 5.749 0.649 7 1 "[ . + 1]" 1
711 1 60 PHE HA 1 61 ILE HA 5.310 . 5.310 4.481 4.456 4.501 . 0 0 "[ . 1]" 1
712 1 60 PHE HA 1 61 ILE MG 5.910 . 5.910 3.568 3.314 5.302 . 0 0 "[ . 1]" 1
713 1 60 PHE HB2 1 61 ILE H 4.950 . 4.950 2.663 2.552 2.780 . 0 0 "[ . 1]" 1
714 1 60 PHE HB2 1 62 SER H 5.780 . 5.780 5.997 5.662 6.146 0.366 3 0 "[ . 1]" 1
715 1 60 PHE HB3 1 61 ILE H 5.110 . 5.110 3.938 3.844 4.013 . 0 0 "[ . 1]" 1
716 1 60 PHE QD 1 61 ILE H 5.310 . 5.310 3.214 2.974 3.606 . 0 0 "[ . 1]" 1
717 1 60 PHE QD 1 61 ILE HA 5.490 . 5.490 3.291 3.168 3.519 . 0 0 "[ . 1]" 1
718 1 60 PHE QD 1 62 SER H 5.490 . 5.490 4.274 3.725 4.680 . 0 0 "[ . 1]" 1
719 1 60 PHE QD 1 62 SER QB 5.330 . 5.330 4.127 3.501 4.887 . 0 0 "[ . 1]" 1
720 1 61 ILE H 1 61 ILE QG 4.730 . 4.730 2.228 2.085 3.030 . 0 0 "[ . 1]" 1
721 1 61 ILE H 1 61 ILE MG 4.560 . 4.560 2.973 2.814 3.912 . 0 0 "[ . 1]" 1
722 1 61 ILE H 1 62 SER H 5.500 . 5.500 4.414 4.341 4.457 . 0 0 "[ . 1]" 1
723 1 61 ILE H 1 63 ILE MD 5.590 . 5.590 5.468 4.539 5.993 0.403 9 0 "[ . 1]" 1
724 1 61 ILE HA 1 62 SER QB 5.980 . 5.980 4.182 3.955 4.413 . 0 0 "[ . 1]" 1
725 1 61 ILE HB 1 62 SER H 4.710 . 4.710 2.840 2.431 3.944 . 0 0 "[ . 1]" 1
726 1 61 ILE HB 1 62 SER HA 5.910 . 5.910 4.624 4.482 4.741 . 0 0 "[ . 1]" 1
727 1 61 ILE HB 1 63 ILE HA 5.970 . 5.970 5.595 5.380 6.026 0.056 7 0 "[ . 1]" 1
728 1 61 ILE MD 1 62 SER H 5.230 . 5.230 4.520 4.181 5.032 . 0 0 "[ . 1]" 1
729 1 61 ILE MD 1 62 SER HA 6.000 . 6.000 5.253 4.950 5.745 . 0 0 "[ . 1]" 1
730 1 61 ILE QG 1 62 SER H 5.810 . 5.810 3.823 3.557 4.437 . 0 0 "[ . 1]" 1
731 1 61 ILE MG 1 62 SER H 4.320 . 4.320 3.687 2.521 3.866 . 0 0 "[ . 1]" 1
732 1 62 SER H 1 63 ILE H 5.720 . 5.720 4.294 4.200 4.376 . 0 0 "[ . 1]" 1
733 1 62 SER H 1 63 ILE HA 5.970 . 5.970 4.850 4.709 5.012 . 0 0 "[ . 1]" 1
734 1 62 SER HA 1 64 ASP H 6.000 . 6.000 5.844 5.668 6.022 0.022 4 0 "[ . 1]" 1
735 1 62 SER QB 1 63 ILE H 4.970 . 4.970 3.480 3.078 3.815 . 0 0 "[ . 1]" 1
736 1 62 SER QB 1 63 ILE HA 5.430 . 5.430 4.582 4.338 4.788 . 0 0 "[ . 1]" 1
737 1 62 SER QB 1 63 ILE MD 6.000 . 6.000 5.263 4.018 6.033 0.033 8 0 "[ . 1]" 1
738 1 63 ILE H 1 63 ILE MD 4.720 . 4.720 3.099 1.857 3.746 . 0 0 "[ . 1]" 1
739 1 63 ILE H 1 63 ILE MG 4.440 . 4.440 3.838 3.809 3.870 . 0 0 "[ . 1]" 1
740 1 63 ILE HB 1 64 ASP H 5.380 . 5.380 4.196 4.044 4.357 . 0 0 "[ . 1]" 1
741 1 63 ILE MG 1 64 ASP H 4.330 . 4.330 2.807 2.578 3.129 . 0 0 "[ . 1]" 1
742 1 63 ILE MG 1 65 LYS HA 4.920 . 4.920 4.456 3.995 4.829 . 0 0 "[ . 1]" 1
743 1 64 ASP H 1 65 LYS H 5.270 . 5.270 4.337 4.185 4.460 . 0 0 "[ . 1]" 1
744 1 64 ASP HB2 1 65 LYS H 5.190 . 5.190 4.407 4.198 4.533 . 0 0 "[ . 1]" 1
745 1 64 ASP HB3 1 65 LYS H 5.190 . 5.190 3.966 3.203 4.370 . 0 0 "[ . 1]" 1
746 1 65 LYS H 1 66 GLU H 4.870 . 4.870 4.450 4.355 4.524 . 0 0 "[ . 1]" 1
747 1 65 LYS H 1 71 TRP HZ2 5.730 . 5.730 5.491 4.772 6.067 0.337 3 0 "[ . 1]" 1
748 1 65 LYS HA 1 69 ALA MB 5.670 . 5.670 3.873 3.702 4.208 . 0 0 "[ . 1]" 1
749 1 65 LYS QB 1 66 GLU H 4.580 . 4.580 2.745 2.564 2.913 . 0 0 "[ . 1]" 1
750 1 65 LYS QB 1 69 ALA H 5.210 . 5.210 4.246 4.067 4.696 . 0 0 "[ . 1]" 1
751 1 65 LYS QB 1 69 ALA MB 5.040 . 5.040 2.043 1.915 2.355 . 0 0 "[ . 1]" 1
752 1 65 LYS QG 1 66 GLU H 4.750 . 4.750 4.073 3.615 4.282 . 0 0 "[ . 1]" 1
753 1 66 GLU H 1 69 ALA MB 4.510 . 4.510 3.117 2.842 3.361 . 0 0 "[ . 1]" 1
754 1 67 ASP H 1 68 ASN H 4.840 . 4.840 2.562 2.523 2.694 . 0 0 "[ . 1]" 1
755 1 67 ASP H 1 69 ALA H 5.410 . 5.410 4.196 4.051 4.343 . 0 0 "[ . 1]" 1
756 1 67 ASP H 1 69 ALA MB 5.580 . 5.580 4.920 4.846 5.044 . 0 0 "[ . 1]" 1
757 1 67 ASP QB 1 68 ASN H 4.120 . 4.120 3.304 2.997 3.747 . 0 0 "[ . 1]" 1
758 1 67 ASP QB 1 69 ALA H 5.220 . 5.220 4.539 4.427 4.696 . 0 0 "[ . 1]" 1
759 1 68 ASN H 1 69 ALA H 4.130 . 4.130 2.574 2.450 2.697 . 0 0 "[ . 1]" 1
760 1 68 ASN H 1 69 ALA MB 5.110 . 5.110 3.990 3.861 4.153 . 0 0 "[ . 1]" 1
761 1 68 ASN QB 1 69 ALA MB 5.460 . 5.460 4.329 4.122 4.789 . 0 0 "[ . 1]" 1
762 1 69 ALA H 1 70 ASN H 4.680 . 4.680 4.560 4.488 4.632 . 0 0 "[ . 1]" 1
763 1 69 ALA HA 1 70 ASN HD21 5.560 . 5.560 4.555 3.677 6.056 0.496 6 0 "[ . 1]" 1
764 1 69 ALA MB 1 70 ASN H 4.050 . 4.050 2.698 2.418 2.909 . 0 0 "[ . 1]" 1
765 1 70 ASN H 1 70 ASN HD21 5.310 . 5.310 2.596 1.657 4.307 0.143 10 0 "[ . 1]" 1
766 1 70 ASN H 1 70 ASN HD22 5.310 . 5.310 3.704 2.749 5.671 0.361 6 0 "[ . 1]" 1
767 1 70 ASN H 1 71 TRP H 5.690 . 5.690 4.179 4.086 4.233 . 0 0 "[ . 1]" 1
768 1 70 ASN H 1 71 TRP HA 5.210 . 5.210 4.711 4.620 4.817 . 0 0 "[ . 1]" 1
769 1 70 ASN HA 1 72 ASN H 5.830 . 5.830 3.630 3.498 3.717 . 0 0 "[ . 1]" 1
770 1 70 ASN HA 1 73 GLU H 5.510 . 5.510 4.824 4.678 5.002 . 0 0 "[ . 1]" 1
771 1 70 ASN QB 1 73 GLU H 5.120 . 5.120 3.408 3.131 3.790 . 0 0 "[ . 1]" 1
772 1 70 ASN QB 1 73 GLU QB 5.740 . 5.740 4.096 3.182 4.766 . 0 0 "[ . 1]" 1
773 1 70 ASN HB2 1 73 GLU QG 5.730 . 5.730 3.896 3.232 4.426 . 0 0 "[ . 1]" 1
774 1 70 ASN HB3 1 73 GLU QG 5.730 . 5.730 4.066 2.566 5.388 . 0 0 "[ . 1]" 1
775 1 70 ASN HD21 1 71 TRP HA 5.270 . 5.270 4.251 4.031 4.338 . 0 0 "[ . 1]" 1
776 1 70 ASN HD21 1 72 ASN H 6.000 . 6.000 3.490 2.248 4.423 . 0 0 "[ . 1]" 1
777 1 70 ASN HD21 1 73 GLU QG 5.210 . 5.210 3.592 2.210 5.204 . 0 0 "[ . 1]" 1
778 1 71 TRP H 1 71 TRP HD1 6.000 . 6.000 2.620 1.792 3.860 0.008 9 0 "[ . 1]" 1
779 1 71 TRP H 1 72 ASN H 6.000 . 6.000 2.644 2.581 2.710 . 0 0 "[ . 1]" 1
780 1 71 TRP H 1 73 GLU H 5.710 . 5.710 4.356 4.186 4.477 . 0 0 "[ . 1]" 1
781 1 71 TRP HA 1 72 ASN HD21 6.000 . 6.000 4.817 3.988 5.262 . 0 0 "[ . 1]" 1
782 1 71 TRP HA 1 72 ASN QD 5.210 . 5.210 4.608 3.888 4.958 . 0 0 "[ . 1]" 1
783 1 71 TRP HA 1 72 ASN HD22 6.000 . 6.000 5.907 5.386 6.061 0.061 10 0 "[ . 1]" 1
784 1 71 TRP QB 1 72 ASN H 5.480 . 5.480 2.971 2.844 3.099 . 0 0 "[ . 1]" 1
785 1 71 TRP QB 1 73 GLU H 5.320 . 5.320 4.554 4.362 4.758 . 0 0 "[ . 1]" 1
786 1 71 TRP QB 1 75 LEU H 5.260 . 5.260 4.025 3.768 4.200 . 0 0 "[ . 1]" 1
787 1 71 TRP QB 1 75 LEU HA 5.030 . 5.030 5.124 4.771 5.249 0.219 8 0 "[ . 1]" 1
788 1 71 TRP QB 1 78 ILE MG 6.000 . 6.000 5.995 5.727 6.259 0.259 6 0 "[ . 1]" 1
789 1 72 ASN H 1 72 ASN QD 5.120 . 5.120 2.209 1.777 2.506 0.023 9 0 "[ . 1]" 1
790 1 72 ASN H 1 73 GLU H 4.720 . 4.720 2.691 2.661 2.718 . 0 0 "[ . 1]" 1
791 1 72 ASN H 1 74 LEU H 5.900 . 5.900 4.175 4.111 4.232 . 0 0 "[ . 1]" 1
792 1 72 ASN H 1 75 LEU H 5.930 . 5.930 4.888 4.711 5.025 . 0 0 "[ . 1]" 1
793 1 72 ASN HA 1 72 ASN QD 4.420 . 4.420 2.564 1.908 3.735 . 0 0 "[ . 1]" 1
794 1 72 ASN HA 1 72 ASN HD22 5.040 . 5.040 3.958 3.519 4.782 . 0 0 "[ . 1]" 1
795 1 72 ASN QB 1 73 GLU H 4.340 . 4.340 3.003 2.621 3.647 . 0 0 "[ . 1]" 1
796 1 72 ASN QB 1 73 GLU QG 6.000 . 6.000 3.233 2.938 4.127 . 0 0 "[ . 1]" 1
797 1 72 ASN QB 1 74 LEU H 5.220 . 5.220 4.914 4.715 5.283 0.063 4 0 "[ . 1]" 1
798 1 72 ASN QD 1 73 GLU QG 5.810 . 5.810 4.568 1.913 5.542 . 0 0 "[ . 1]" 1
799 1 73 GLU H 1 73 GLU QG 4.470 . 4.470 2.537 2.273 2.921 . 0 0 "[ . 1]" 1
800 1 73 GLU H 1 74 LEU H 4.010 . 4.010 2.321 2.182 2.516 . 0 0 "[ . 1]" 1
801 1 73 GLU H 1 74 LEU HB2 5.510 . 5.510 4.331 4.169 4.501 . 0 0 "[ . 1]" 1
802 1 73 GLU H 1 75 LEU H 4.860 . 4.860 3.912 3.706 4.016 . 0 0 "[ . 1]" 1
803 1 73 GLU QG 1 74 LEU H 5.230 . 5.230 4.164 4.052 4.364 . 0 0 "[ . 1]" 1
804 1 74 LEU H 1 75 LEU H 4.550 . 4.550 2.572 2.496 2.619 . 0 0 "[ . 1]" 1
805 1 74 LEU H 1 75 LEU HA 5.120 . 5.120 5.137 5.057 5.205 0.085 4 0 "[ . 1]" 1
806 1 74 LEU H 1 77 GLN H 5.480 . 5.480 4.990 4.810 5.080 . 0 0 "[ . 1]" 1
807 1 74 LEU H 1 78 ILE MG 5.470 . 5.470 5.208 4.948 5.417 . 0 0 "[ . 1]" 1
808 1 74 LEU HA 1 75 LEU QB 5.500 . 5.500 5.173 5.119 5.236 . 0 0 "[ . 1]" 1
809 1 74 LEU HB2 1 75 LEU H 5.630 . 5.630 2.768 2.669 2.971 . 0 0 "[ . 1]" 1
810 1 74 LEU HB2 1 75 LEU HA 4.620 . 4.620 4.408 4.310 4.481 . 0 0 "[ . 1]" 1
811 1 74 LEU HB2 1 75 LEU QB 5.040 . 5.040 4.713 4.598 4.919 . 0 0 "[ . 1]" 1
812 1 74 LEU HB2 1 77 GLN H 5.230 . 5.230 5.399 5.311 5.477 0.247 3 0 "[ . 1]" 1
813 1 74 LEU HB3 1 75 LEU HA 5.610 . 5.610 4.237 4.159 4.366 . 0 0 "[ . 1]" 1
814 1 74 LEU HB3 1 75 LEU QB 5.610 . 5.610 5.308 5.198 5.471 . 0 0 "[ . 1]" 1
815 1 75 LEU H 1 75 LEU QB 3.570 . 3.570 2.179 2.145 2.208 . 0 0 "[ . 1]" 1
816 1 75 LEU H 1 76 PRO HD2 4.910 . 4.910 2.445 2.389 2.485 . 0 0 "[ . 1]" 1
817 1 75 LEU H 1 76 PRO HD3 4.890 . 4.890 3.633 3.575 3.695 . 0 0 "[ . 1]" 1
818 1 75 LEU H 1 76 PRO QG 5.440 . 5.440 4.283 4.205 4.330 . 0 0 "[ . 1]" 1
819 1 75 LEU H 1 77 GLN H 5.440 . 5.440 4.075 3.999 4.120 . 0 0 "[ . 1]" 1
820 1 75 LEU H 1 78 ILE H 5.680 . 5.680 4.787 4.699 4.865 . 0 0 "[ . 1]" 1
821 1 75 LEU H 1 78 ILE MG 4.890 . 4.890 4.681 4.540 4.867 . 0 0 "[ . 1]" 1
822 1 75 LEU H 1 79 GLU H 5.990 . 5.990 5.727 5.563 5.866 . 0 0 "[ . 1]" 1
823 1 75 LEU QB 1 76 PRO HD2 4.500 . 4.500 2.400 2.373 2.467 . 0 0 "[ . 1]" 1
824 1 75 LEU QB 1 76 PRO HD3 4.240 . 4.240 2.098 2.053 2.130 . 0 0 "[ . 1]" 1
825 1 75 LEU HB2 1 76 PRO HD2 5.110 . 5.110 2.481 2.454 2.561 . 0 0 "[ . 1]" 1
826 1 75 LEU HB3 1 76 PRO HD2 5.110 . 5.110 3.192 3.146 3.258 . 0 0 "[ . 1]" 1
827 1 76 PRO HA 1 79 GLU H 4.940 . 4.940 3.983 3.894 4.138 . 0 0 "[ . 1]" 1
828 1 76 PRO HA 1 79 GLU QB 4.130 . 4.130 2.700 2.537 2.851 . 0 0 "[ . 1]" 1
829 1 76 PRO HD2 1 78 ILE MG 5.630 . 5.630 5.582 5.416 5.785 0.155 1 0 "[ . 1]" 1
830 1 76 PRO HD3 1 77 GLN H 4.710 . 4.710 4.001 3.934 4.055 . 0 0 "[ . 1]" 1
831 1 76 PRO QG 1 77 GLN H 4.950 . 4.950 2.545 2.429 2.619 . 0 0 "[ . 1]" 1
832 1 77 GLN H 1 77 GLN QB 3.810 . 3.810 2.339 2.255 2.457 . 0 0 "[ . 1]" 1
833 1 77 GLN H 1 77 GLN QG 4.330 . 4.330 2.960 2.153 4.067 . 0 0 "[ . 1]" 1
834 1 77 GLN H 1 78 ILE H 4.310 . 4.310 2.608 2.581 2.640 . 0 0 "[ . 1]" 1
835 1 77 GLN H 1 78 ILE HA 6.000 . 6.000 5.239 5.211 5.266 . 0 0 "[ . 1]" 1
836 1 77 GLN H 1 78 ILE MG 4.420 . 4.420 4.106 3.985 4.215 . 0 0 "[ . 1]" 1
837 1 77 GLN H 1 79 GLU H 5.120 . 5.120 3.884 3.822 3.937 . 0 0 "[ . 1]" 1
838 1 77 GLN H 1 80 ASN QB 5.760 . 5.760 5.441 5.013 5.865 0.105 10 0 "[ . 1]" 1
839 1 77 GLN HA 1 79 GLU H 4.850 . 4.850 4.707 4.538 4.810 . 0 0 "[ . 1]" 1
840 1 77 GLN HA 1 80 ASN H 4.580 . 4.580 3.962 3.870 4.071 . 0 0 "[ . 1]" 1
841 1 77 GLN HA 1 80 ASN QB 4.990 . 4.990 3.486 3.201 3.790 . 0 0 "[ . 1]" 1
842 1 77 GLN QB 1 78 ILE H 4.120 . 4.120 2.261 2.174 2.362 . 0 0 "[ . 1]" 1
843 1 77 GLN QG 1 78 ILE H 5.390 . 5.390 3.803 3.491 4.025 . 0 0 "[ . 1]" 1
844 1 78 ILE H 1 78 ILE MG 4.100 . 4.100 2.123 2.046 2.181 . 0 0 "[ . 1]" 1
845 1 78 ILE H 1 79 GLU H 4.600 . 4.600 2.614 2.551 2.682 . 0 0 "[ . 1]" 1
846 1 78 ILE H 1 79 GLU HA 5.620 . 5.620 5.215 5.162 5.270 . 0 0 "[ . 1]" 1
847 1 78 ILE H 1 80 ASN H 5.160 . 5.160 4.086 4.044 4.196 . 0 0 "[ . 1]" 1
848 1 78 ILE H 1 80 ASN QB 5.870 . 5.870 5.042 4.891 5.255 . 0 0 "[ . 1]" 1
849 1 78 ILE HA 1 79 GLU HA 6.000 . 6.000 4.870 4.827 4.891 . 0 0 "[ . 1]" 1
850 1 78 ILE HA 1 80 ASN H 5.320 . 5.320 3.899 3.718 4.050 . 0 0 "[ . 1]" 1
851 1 78 ILE HA 1 81 THR H 5.080 . 5.080 3.243 3.146 3.428 . 0 0 "[ . 1]" 1
852 1 78 ILE HA 1 81 THR HB 5.660 . 5.660 3.713 3.127 5.307 . 0 0 "[ . 1]" 1
853 1 78 ILE HA 1 81 THR MG 5.100 . 5.100 4.016 2.136 4.943 . 0 0 "[ . 1]" 1
854 1 78 ILE HB 1 79 GLU H 5.270 . 5.270 3.727 3.640 3.786 . 0 0 "[ . 1]" 1
855 1 78 ILE MG 1 79 GLU H 4.230 . 4.230 3.818 3.721 3.914 . 0 0 "[ . 1]" 1
856 1 79 GLU H 1 79 GLU QB 3.780 . 3.780 2.260 2.216 2.384 . 0 0 "[ . 1]" 1
857 1 79 GLU H 1 79 GLU QG 4.230 . 4.230 3.794 2.270 4.026 . 0 0 "[ . 1]" 1
858 1 79 GLU H 1 80 ASN H 4.290 . 4.290 2.782 2.746 2.829 . 0 0 "[ . 1]" 1
859 1 79 GLU H 1 81 THR H 5.330 . 5.330 4.317 4.095 4.579 . 0 0 "[ . 1]" 1
860 1 79 GLU H 1 82 PHE H 5.800 . 5.800 5.163 4.973 5.583 . 0 0 "[ . 1]" 1
861 1 79 GLU HA 1 82 PHE QB 5.810 . 5.810 3.044 2.570 4.067 . 0 0 "[ . 1]" 1
862 1 79 GLU HA 1 82 PHE QD 5.070 . 5.070 3.063 2.379 4.573 . 0 0 "[ . 1]" 1
863 1 79 GLU QB 1 80 ASN H 3.980 . 3.980 2.766 2.665 2.849 . 0 0 "[ . 1]" 1
864 1 79 GLU QB 1 82 PHE H 5.420 . 5.420 5.188 4.977 5.452 0.032 10 0 "[ . 1]" 1
865 1 79 GLU QG 1 80 ASN H 4.790 . 4.790 4.043 3.748 4.439 . 0 0 "[ . 1]" 1
866 1 80 ASN H 1 80 ASN QB 3.660 . 3.660 2.328 2.248 2.398 . 0 0 "[ . 1]" 1
867 1 80 ASN H 1 81 THR H 4.590 . 4.590 2.644 2.555 2.764 . 0 0 "[ . 1]" 1
868 1 80 ASN H 1 82 PHE H 5.360 . 5.360 4.375 4.271 4.600 . 0 0 "[ . 1]" 1
869 1 80 ASN H 1 83 ALA H 4.950 . 4.950 4.681 4.543 4.876 . 0 0 "[ . 1]" 1
870 1 80 ASN HA 1 82 PHE H 5.330 . 5.330 4.593 4.433 4.852 . 0 0 "[ . 1]" 1
871 1 80 ASN HA 1 83 ALA H 4.540 . 4.540 3.473 3.259 3.752 . 0 0 "[ . 1]" 1
872 1 80 ASN HA 1 83 ALA MB 4.150 . 4.150 2.394 2.260 2.568 . 0 0 "[ . 1]" 1
873 1 80 ASN QB 1 81 THR H 4.310 . 4.310 2.668 2.463 2.921 . 0 0 "[ . 1]" 1
874 1 81 THR H 1 81 THR MG 4.210 . 4.210 3.384 2.015 3.740 . 0 0 "[ . 1]" 1
875 1 81 THR H 1 82 PHE H 4.340 . 4.340 2.741 2.632 2.817 . 0 0 "[ . 1]" 1
876 1 81 THR H 1 82 PHE QD 5.400 . 5.400 4.971 4.003 5.832 0.432 6 0 "[ . 1]" 1
877 1 81 THR H 1 83 ALA MB 5.280 . 5.280 4.602 4.506 4.753 . 0 0 "[ . 1]" 1
878 1 81 THR HA 1 82 PHE HA 5.510 . 5.510 4.766 4.713 4.792 . 0 0 "[ . 1]" 1
879 1 81 THR HA 1 83 ALA H 4.930 . 4.930 4.551 4.318 4.695 . 0 0 "[ . 1]" 1
880 1 81 THR HA 1 84 LYS H 5.020 . 5.020 3.813 3.625 4.030 . 0 0 "[ . 1]" 1
881 1 81 THR HA 1 84 LYS QB 5.650 . 5.650 3.325 2.736 3.988 . 0 0 "[ . 1]" 1
882 1 81 THR HB 1 82 PHE H 5.140 . 5.140 2.626 2.350 3.623 . 0 0 "[ . 1]" 1
883 1 81 THR HB 1 82 PHE QD 5.880 . 5.880 4.797 3.155 5.984 0.104 10 0 "[ . 1]" 1
884 1 81 THR MG 1 82 PHE H 4.690 . 4.690 3.480 3.230 3.767 . 0 0 "[ . 1]" 1
885 1 81 THR MG 1 82 PHE QD 5.300 . 5.300 4.990 4.198 5.541 0.241 10 0 "[ . 1]" 1
886 1 82 PHE H 1 82 PHE QD 4.320 . 4.320 3.135 2.242 3.933 . 0 0 "[ . 1]" 1
887 1 82 PHE H 1 83 ALA H 4.020 . 4.020 2.598 2.432 2.730 . 0 0 "[ . 1]" 1
888 1 82 PHE H 1 83 ALA HA 6.000 . 6.000 5.207 5.063 5.326 . 0 0 "[ . 1]" 1
889 1 82 PHE H 1 83 ALA MB 4.990 . 4.990 4.261 4.113 4.397 . 0 0 "[ . 1]" 1
890 1 82 PHE H 1 84 LYS H 5.240 . 5.240 4.221 4.095 4.522 . 0 0 "[ . 1]" 1
891 1 82 PHE HA 1 85 SER H 4.190 . 4.190 3.480 3.156 3.753 . 0 0 "[ . 1]" 1
892 1 82 PHE QB 1 83 ALA H 3.910 . 3.910 2.725 2.501 3.339 . 0 0 "[ . 1]" 1
893 1 82 PHE QB 1 83 ALA MB 5.150 . 5.150 4.080 3.878 4.648 . 0 0 "[ . 1]" 1
894 1 82 PHE HB2 1 83 ALA H 4.490 . 4.490 3.441 2.549 4.192 . 0 0 "[ . 1]" 1
895 1 82 PHE HB3 1 83 ALA H 4.490 . 4.490 3.212 2.637 3.825 . 0 0 "[ . 1]" 1
896 1 82 PHE QD 1 83 ALA H 5.100 . 5.100 3.328 2.363 4.571 . 0 0 "[ . 1]" 1
897 1 82 PHE QD 1 83 ALA HA 5.790 . 5.790 4.345 2.824 5.840 0.050 7 0 "[ . 1]" 1
898 1 82 PHE QD 1 84 LYS H 5.880 . 5.880 5.410 4.776 6.075 0.195 9 0 "[ . 1]" 1
899 1 83 ALA H 1 83 ALA MB 3.500 . 3.500 2.238 2.199 2.252 . 0 0 "[ . 1]" 1
900 1 83 ALA H 1 84 LYS H 4.290 . 4.290 2.774 2.705 2.962 . 0 0 "[ . 1]" 1
901 1 83 ALA MB 1 84 LYS H 3.760 . 3.760 2.501 2.365 2.661 . 0 0 "[ . 1]" 1
902 1 83 ALA MB 1 85 SER H 4.960 . 4.960 4.446 4.060 4.893 . 0 0 "[ . 1]" 1
903 1 84 LYS H 1 84 LYS QB 3.780 . 3.780 2.276 2.191 2.416 . 0 0 "[ . 1]" 1
904 1 84 LYS H 1 84 LYS QE 5.120 . 5.120 4.342 4.038 4.928 . 0 0 "[ . 1]" 1
905 1 84 LYS QB 1 85 SER H 4.600 . 4.600 2.734 2.038 3.439 . 0 0 "[ . 1]" 1
906 1 84 LYS QE 1 85 SER H 5.620 . 5.620 5.220 3.516 6.048 0.428 6 0 "[ . 1]" 1
907 1 85 SER H 1 86 ASN H 5.050 . 5.050 2.829 2.643 3.164 . 0 0 "[ . 1]" 1
908 1 85 SER QB 1 86 ASN H 5.390 . 5.390 3.119 2.437 4.080 . 0 0 "[ . 1]" 1
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