NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549926 |
2lxi   |
18678 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lxi
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 1240
_Distance_constraint_stats_list.Viol_count 2705
_Distance_constraint_stats_list.Viol_total 8160.266
_Distance_constraint_stats_list.Viol_max 1.763
_Distance_constraint_stats_list.Viol_rms 0.0907
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0182
_Distance_constraint_stats_list.Viol_average_violations_only 0.1588
_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 SER 1.355 0.489 19 0 "[ . 1 . ]"
1 2 ASN 5.523 0.370 18 0 "[ . 1 . ]"
1 3 ILE 21.074 1.442 9 6 "[ *. *+1 * *. -]"
1 4 VAL 7.844 0.303 9 0 "[ . 1 . ]"
1 5 MET 20.250 1.670 10 10 "[** ** - + .****]"
1 6 LEU 1.993 0.089 18 0 "[ . 1 . ]"
1 7 ARG 2.291 0.632 11 1 "[ . 1+ . ]"
1 8 MET 22.292 0.862 8 18 "[***** *+**-********]"
1 9 LEU 5.861 0.108 17 0 "[ . 1 . ]"
1 10 PRO 5.761 0.457 19 0 "[ . 1 . ]"
1 11 GLN 5.790 0.904 11 6 "[ * *+ * *- ]"
1 12 ALA 0.749 0.078 19 0 "[ . 1 . ]"
1 13 ALA 3.847 0.111 17 0 "[ . 1 . ]"
1 14 THR 18.060 1.763 10 10 "[ * -* ***+ * * *]"
1 15 GLU 9.426 0.899 19 3 "[ . -* . +]"
1 16 ASP 10.998 1.417 14 8 "[ *. *** - +.* *]"
1 17 ASP 3.809 0.095 8 0 "[ . 1 . ]"
1 18 ILE 2.985 0.574 18 1 "[ . 1 . + ]"
1 19 ARG 11.489 1.417 14 4 "[ . * 1 - +.* ]"
1 20 GLY 23.862 1.291 14 19 [*******-*****+*****]
1 21 GLN 44.363 1.291 14 19 [*************+-****]
1 22 LEU 26.037 0.887 2 15 "[*+*** *- 1* *******]"
1 23 GLN 8.529 0.714 17 5 "[ * *. - 1 * . + ]"
1 24 SER 1.338 0.390 15 0 "[ . 1 . ]"
1 25 HIS 3.211 0.233 15 0 "[ . 1 . ]"
1 26 GLY 0.430 0.082 13 0 "[ . 1 . ]"
1 27 VAL 6.668 0.283 8 0 "[ . 1 . ]"
1 28 GLN 0.600 0.086 8 0 "[ . 1 . ]"
1 29 ALA 3.362 0.145 7 0 "[ . 1 . ]"
1 30 ARG 4.071 0.932 6 2 "[ .+ 1 - . ]"
1 31 GLU 6.562 0.750 7 4 "[- . + 1 * .* ]"
1 32 VAL 4.122 0.750 7 3 "[- . + 1 .* ]"
1 33 ARG 4.375 0.394 12 0 "[ . 1 . ]"
1 34 LEU 10.497 1.112 10 4 "[ * . - + .* ]"
1 35 MET 17.000 1.763 10 10 "[ * * ***+ * *- *]"
1 36 ARG 10.254 1.112 10 8 "[ * .* -*+ .* **]"
1 37 ASN 5.864 0.553 8 3 "[ * . + 1- . ]"
1 38 LYS 0.609 0.092 5 0 "[ . 1 . ]"
1 39 SER 0.217 0.083 16 0 "[ . 1 . ]"
1 40 SER 2.529 1.081 13 2 "[ . 1 + . - ]"
1 41 GLY 1.935 0.091 13 0 "[ . 1 . ]"
1 42 GLN 10.373 1.081 13 5 "[ * . * 1- + . * ]"
1 43 SER 5.388 0.904 11 6 "[ * *+ * *- ]"
1 44 ARG 5.661 0.599 7 3 "[ . +*-1 . ]"
1 45 GLY 2.377 0.088 13 0 "[ . 1 . ]"
1 46 PHE 8.860 0.599 7 3 "[ . +*-1 . ]"
1 47 ALA 3.418 0.271 17 0 "[ . 1 . ]"
1 48 PHE 6.612 1.670 10 1 "[ . + . ]"
1 49 VAL 4.128 0.108 19 0 "[ . 1 . ]"
1 50 GLU 18.216 1.442 9 6 "[ *. *+1 * *. -]"
1 51 PHE 26.446 0.867 4 11 "[* +*** * **-.* * ]"
1 52 SER 3.210 0.932 6 3 "[ .+ * - . ]"
1 53 HIS 2.092 0.723 10 1 "[ . + . ]"
1 55 GLN 1.431 0.113 19 0 "[ . 1 . ]"
1 56 ASP 0.761 0.080 12 0 "[ . 1 . ]"
1 57 ALA 13.092 0.790 5 10 "[* +** * **-.* * ]"
1 58 THR 5.935 0.118 9 0 "[ . 1 . ]"
1 59 ARG 7.377 0.494 15 0 "[ . 1 . ]"
1 60 TRP 15.526 0.494 15 0 "[ . 1 . ]"
1 61 MET 2.523 0.111 11 0 "[ . 1 . ]"
1 62 GLU 1.472 1.021 9 1 "[ . +1 . ]"
1 63 ALA 5.929 1.021 9 1 "[ . +1 . ]"
1 64 ASN 2.277 0.086 4 0 "[ . 1 . ]"
1 65 GLN 3.481 0.100 7 0 "[ . 1 . ]"
1 66 HIS 3.674 0.089 18 0 "[ . 1 . ]"
1 67 SER 3.319 0.646 3 1 "[ + . 1 . ]"
1 68 LEU 9.419 0.585 9 3 "[ - .* +1 . ]"
1 69 ASN 21.841 1.116 11 13 "[* ***** **+** .* - ]"
1 70 ILE 5.814 0.540 15 1 "[ . 1 + ]"
1 71 LEU 2.773 0.081 19 0 "[ . 1 . ]"
1 72 GLY 2.881 0.086 7 0 "[ . 1 . ]"
1 73 GLN 5.030 0.457 19 0 "[ . 1 . ]"
1 74 LYS 14.337 1.116 11 12 "[* **** **+** .* - ]"
1 75 VAL 18.868 0.948 9 11 "[* **. +1 *-*** **]"
1 76 SER 35.875 0.948 9 18 "[-**** **+**********]"
1 77 MET 18.674 0.887 13 14 "[-**** * *** +** **]"
1 78 HIS 29.915 1.043 18 19 [************-****+*]
1 79 TYR 21.535 1.043 18 19 [************-****+*]
1 80 SER 10.833 0.981 4 9 "[** +* - 1 .****]"
1 81 ASP 9.755 0.916 11 9 "[ * *. * **+ * * - ]"
1 82 PRO 14.996 0.916 11 9 "[ * *. * **+ * * - ]"
1 83 LYS 17.560 0.475 9 0 "[ . 1 . ]"
1 84 PRO 13.007 0.475 9 0 "[ . 1 . ]"
1 85 LYS 5.167 0.317 10 0 "[ . 1 . ]"
1 86 ILE 3.131 0.100 14 0 "[ . 1 . ]"
1 87 ASN 1.960 0.100 14 0 "[ . 1 . ]"
1 88 GLU 2.620 0.090 10 0 "[ . 1 . ]"
1 89 ASP 2.160 0.138 9 0 "[ . 1 . ]"
1 90 TRP 7.103 0.353 7 0 "[ . 1 . ]"
1 91 LEU 2.520 0.097 12 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 SER HB3 1 2 ASN H . . 3.440 2.881 2.218 3.667 0.227 19 0 "[ . 1 . ]" 1
2 1 1 SER HB3 1 3 ILE H . . 4.160 2.979 2.228 3.991 . 0 0 "[ . 1 . ]" 1
3 1 1 SER HB3 1 3 ILE HB . . 5.360 4.374 2.969 5.765 0.405 19 0 "[ . 1 . ]" 1
4 1 1 SER HB3 1 79 TYR HB3 . . 4.980 2.922 2.280 3.567 . 0 0 "[ . 1 . ]" 1
5 1 1 SER HB3 1 79 TYR QD . . 4.580 3.455 2.260 4.645 0.065 18 0 "[ . 1 . ]" 1
6 1 1 SER HB3 1 80 SER H . . 5.380 4.664 2.203 5.869 0.489 19 0 "[ . 1 . ]" 1
7 1 2 ASN H 1 2 ASN HB3 . . 3.850 3.067 2.365 3.813 . 0 0 "[ . 1 . ]" 1
8 1 2 ASN H 1 2 ASN QD . . 5.450 4.375 4.098 4.790 . 0 0 "[ . 1 . ]" 1
9 1 2 ASN H 1 3 ILE H . . 3.280 2.252 1.553 2.790 . 0 0 "[ . 1 . ]" 1
10 1 2 ASN H 1 3 ILE HA . . 5.500 4.700 4.133 5.365 . 0 0 "[ . 1 . ]" 1
11 1 2 ASN H 1 3 ILE HB . . 5.070 4.349 3.653 5.162 0.092 19 0 "[ . 1 . ]" 1
12 1 2 ASN H 1 51 PHE H . . 5.500 5.408 4.895 5.597 0.097 4 0 "[ . 1 . ]" 1
13 1 2 ASN HA 1 57 ALA HA . . 4.350 4.428 4.418 4.447 0.097 19 0 "[ . 1 . ]" 1
14 1 2 ASN HA 1 57 ALA MB . . 3.330 2.071 1.946 2.294 . 0 0 "[ . 1 . ]" 1
15 1 2 ASN HB3 1 3 ILE H . . 4.890 4.321 3.446 4.732 . 0 0 "[ . 1 . ]" 1
16 1 2 ASN HB3 1 51 PHE H . . 4.410 4.568 4.415 4.780 0.370 18 0 "[ . 1 . ]" 1
17 1 2 ASN HB3 1 57 ALA MB . . 5.260 4.168 3.696 4.806 . 0 0 "[ . 1 . ]" 1
18 1 2 ASN QD 1 3 ILE MD . . 4.580 3.995 2.803 4.393 . 0 0 "[ . 1 . ]" 1
19 1 2 ASN QD 1 3 ILE HG13 . . 5.440 3.490 2.293 4.066 . 0 0 "[ . 1 . ]" 1
20 1 2 ASN QD 1 50 GLU HB3 . . 5.050 3.748 2.344 4.718 . 0 0 "[ . 1 . ]" 1
21 1 2 ASN QD 1 50 GLU HG3 . . 4.940 3.726 2.821 5.154 0.214 4 0 "[ . 1 . ]" 1
22 1 2 ASN QD 1 51 PHE H . . 4.990 2.548 1.850 3.008 . 0 0 "[ . 1 . ]" 1
23 1 2 ASN QD 1 52 SER HA . . 5.040 3.885 3.060 4.695 . 0 0 "[ . 1 . ]" 1
24 1 3 ILE H 1 3 ILE HB . . 3.320 2.721 2.536 3.119 . 0 0 "[ . 1 . ]" 1
25 1 3 ILE H 1 3 ILE MD . . 4.980 4.171 2.219 4.519 . 0 0 "[ . 1 . ]" 1
26 1 3 ILE H 1 3 ILE HG13 . . 4.570 3.071 2.562 3.497 . 0 0 "[ . 1 . ]" 1
27 1 3 ILE H 1 3 ILE MG . . 4.100 3.868 3.725 4.040 . 0 0 "[ . 1 . ]" 1
28 1 3 ILE H 1 4 VAL H . . 4.850 4.279 4.090 4.541 . 0 0 "[ . 1 . ]" 1
29 1 3 ILE H 1 4 VAL QG . . 5.500 3.910 3.360 4.248 . 0 0 "[ . 1 . ]" 1
30 1 3 ILE H 1 79 TYR QD . . 5.330 4.063 3.274 5.033 . 0 0 "[ . 1 . ]" 1
31 1 3 ILE H 1 79 TYR QE . . 5.500 5.218 4.389 5.598 0.098 18 0 "[ . 1 . ]" 1
32 1 3 ILE HA 1 3 ILE MD . . 4.250 3.811 3.729 3.937 . 0 0 "[ . 1 . ]" 1
33 1 3 ILE HA 1 3 ILE HG13 . . 4.000 3.034 2.531 3.417 . 0 0 "[ . 1 . ]" 1
34 1 3 ILE HA 1 3 ILE MG . . 3.330 2.463 2.286 2.705 . 0 0 "[ . 1 . ]" 1
35 1 3 ILE HA 1 4 VAL H . . 2.980 2.193 2.052 2.358 . 0 0 "[ . 1 . ]" 1
36 1 3 ILE HA 1 4 VAL HB . . 4.850 4.716 4.347 4.922 0.072 15 0 "[ . 1 . ]" 1
37 1 3 ILE HA 1 4 VAL QG . . 4.580 3.512 3.019 3.954 . 0 0 "[ . 1 . ]" 1
38 1 3 ILE HA 1 50 GLU H . . 5.500 4.864 4.591 5.221 . 0 0 "[ . 1 . ]" 1
39 1 3 ILE HA 1 50 GLU HA . . 3.110 2.512 2.126 2.835 . 0 0 "[ . 1 . ]" 1
40 1 3 ILE HA 1 50 GLU HG3 . . 5.220 4.162 2.569 5.113 . 0 0 "[ . 1 . ]" 1
41 1 3 ILE HA 1 51 PHE H . . 4.070 3.622 3.232 4.143 0.073 19 0 "[ . 1 . ]" 1
42 1 3 ILE HA 1 51 PHE QD . . 4.820 3.930 2.923 4.791 . 0 0 "[ . 1 . ]" 1
43 1 3 ILE HB 1 3 ILE MD . . 3.190 2.482 2.065 2.639 . 0 0 "[ . 1 . ]" 1
44 1 3 ILE HB 1 4 VAL H . . 4.790 4.123 3.863 4.331 . 0 0 "[ . 1 . ]" 1
45 1 3 ILE HB 1 80 SER H . . 4.580 3.281 2.740 4.075 . 0 0 "[ . 1 . ]" 1
46 1 3 ILE HB 1 81 ASP HA . . 4.990 2.880 2.234 5.080 0.090 1 0 "[ . 1 . ]" 1
47 1 3 ILE MD 1 4 VAL H . . 4.980 5.022 4.906 5.083 0.103 1 0 "[ . 1 . ]" 1
48 1 3 ILE MD 1 50 GLU HG3 . . 4.020 3.113 2.207 4.545 0.525 4 2 "[ +. 1 . -]" 1
49 1 3 ILE MD 1 80 SER H . . 5.500 4.895 4.171 5.489 . 0 0 "[ . 1 . ]" 1
50 1 3 ILE MD 1 80 SER HB3 . . 5.310 4.048 3.556 5.378 0.068 11 0 "[ . 1 . ]" 1
51 1 3 ILE MD 1 81 ASP H . . 5.500 4.536 2.812 5.390 . 0 0 "[ . 1 . ]" 1
52 1 3 ILE MD 1 81 ASP HA . . 4.150 2.817 2.159 3.854 . 0 0 "[ . 1 . ]" 1
53 1 3 ILE MD 1 82 PRO HA . . 3.870 2.860 2.102 3.724 . 0 0 "[ . 1 . ]" 1
54 1 3 ILE MD 1 82 PRO HD3 . . 4.810 2.433 2.059 4.633 . 0 0 "[ . 1 . ]" 1
55 1 3 ILE MD 1 83 LYS H . . 4.960 4.698 3.092 5.031 0.071 14 0 "[ . 1 . ]" 1
56 1 3 ILE HG13 1 4 VAL H . . 5.070 5.038 4.568 5.373 0.303 9 0 "[ . 1 . ]" 1
57 1 3 ILE HG13 1 50 GLU HA . . 3.710 3.930 3.204 4.673 0.963 19 5 "[ . **1 * -. +]" 1
58 1 3 ILE HG13 1 50 GLU HG3 . . 4.100 3.720 2.501 5.542 1.442 9 3 "[ -. +1 . *]" 1
59 1 3 ILE HG13 1 51 PHE H . . 4.570 4.630 4.123 5.375 0.805 12 2 "[ . 1 + -. ]" 1
60 1 3 ILE MG 1 4 VAL H . . 3.520 2.552 2.376 2.835 . 0 0 "[ . 1 . ]" 1
61 1 3 ILE MG 1 4 VAL HA . . 3.930 3.599 3.198 3.939 0.009 8 0 "[ . 1 . ]" 1
62 1 3 ILE MG 1 5 MET HA . . 4.810 3.808 3.319 4.403 . 0 0 "[ . 1 . ]" 1
63 1 3 ILE MG 1 48 PHE HA . . 4.350 3.212 2.641 3.862 . 0 0 "[ . 1 . ]" 1
64 1 3 ILE MG 1 48 PHE QD . . 3.300 2.300 1.947 3.130 . 0 0 "[ . 1 . ]" 1
65 1 3 ILE MG 1 48 PHE QE . . 3.870 3.407 2.271 3.978 0.108 17 0 "[ . 1 . ]" 1
66 1 3 ILE MG 1 49 VAL H . . 4.130 3.235 2.625 4.219 0.089 1 0 "[ . 1 . ]" 1
67 1 3 ILE MG 1 50 GLU HA . . 4.050 3.641 2.804 4.126 0.076 3 0 "[ . 1 . ]" 1
68 1 3 ILE MG 1 50 GLU HG3 . . 4.750 3.799 2.282 4.840 0.090 9 0 "[ . 1 . ]" 1
69 1 3 ILE MG 1 57 ALA MB . . 5.500 5.513 5.228 5.657 0.157 17 0 "[ . 1 . ]" 1
70 1 3 ILE MG 1 80 SER H . . 4.490 3.179 2.593 4.084 . 0 0 "[ . 1 . ]" 1
71 1 3 ILE MG 1 80 SER HB3 . . 3.880 2.561 2.148 3.657 . 0 0 "[ . 1 . ]" 1
72 1 3 ILE MG 1 81 ASP H . . 5.500 4.703 3.482 5.590 0.090 9 0 "[ . 1 . ]" 1
73 1 4 VAL H 1 4 VAL HB . . 3.460 2.827 2.518 3.362 . 0 0 "[ . 1 . ]" 1
74 1 4 VAL H 1 4 VAL QG . . 3.680 2.647 1.864 2.972 . 0 0 "[ . 1 . ]" 1
75 1 4 VAL H 1 5 MET H . . 5.030 4.069 3.617 4.383 . 0 0 "[ . 1 . ]" 1
76 1 4 VAL H 1 48 PHE HA . . 5.500 4.347 4.049 4.930 . 0 0 "[ . 1 . ]" 1
77 1 4 VAL H 1 49 VAL H . . 4.020 2.970 2.501 3.878 . 0 0 "[ . 1 . ]" 1
78 1 4 VAL H 1 49 VAL HB . . 4.430 3.979 3.143 4.529 0.099 15 0 "[ . 1 . ]" 1
79 1 4 VAL H 1 49 VAL QG . . 5.500 3.137 1.997 4.338 . 0 0 "[ . 1 . ]" 1
80 1 4 VAL H 1 50 GLU HA . . 4.090 3.887 3.377 4.163 0.073 6 0 "[ . 1 . ]" 1
81 1 4 VAL H 1 51 PHE QD . . 4.800 4.245 3.590 4.813 0.013 5 0 "[ . 1 . ]" 1
82 1 4 VAL H 1 51 PHE QE . . 4.560 4.117 2.418 4.648 0.088 8 0 "[ . 1 . ]" 1
83 1 4 VAL H 1 57 ALA MB . . 5.360 4.862 4.399 5.367 0.007 5 0 "[ . 1 . ]" 1
84 1 4 VAL HA 1 4 VAL QG . . 3.290 2.079 1.971 2.370 . 0 0 "[ . 1 . ]" 1
85 1 4 VAL HA 1 5 MET H . . 3.090 2.131 2.003 2.268 . 0 0 "[ . 1 . ]" 1
86 1 4 VAL HA 1 77 MET HB3 . . 5.410 5.484 5.437 5.498 0.088 8 0 "[ . 1 . ]" 1
87 1 4 VAL HA 1 77 MET ME . . 5.340 5.266 4.790 5.437 0.097 11 0 "[ . 1 . ]" 1
88 1 4 VAL HA 1 78 HIS H . . 4.580 3.725 3.587 4.010 . 0 0 "[ . 1 . ]" 1
89 1 4 VAL HB 1 5 MET H . . 5.210 4.355 4.042 4.555 . 0 0 "[ . 1 . ]" 1
90 1 4 VAL HB 1 6 LEU QD . . 5.460 3.391 2.530 4.613 . 0 0 "[ . 1 . ]" 1
91 1 4 VAL HB 1 49 VAL H . . 4.470 4.143 3.682 4.578 0.108 19 0 "[ . 1 . ]" 1
92 1 4 VAL HB 1 49 VAL QG . . 4.750 2.897 1.966 4.596 . 0 0 "[ . 1 . ]" 1
93 1 4 VAL HB 1 51 PHE QE . . 3.670 3.168 2.187 3.771 0.101 5 0 "[ . 1 . ]" 1
94 1 4 VAL HB 1 51 PHE HZ . . 5.500 4.260 3.058 5.573 0.073 14 0 "[ . 1 . ]" 1
95 1 4 VAL HB 1 60 TRP HE3 . . 4.210 2.891 2.427 3.791 . 0 0 "[ . 1 . ]" 1
96 1 4 VAL HB 1 60 TRP HZ3 . . 3.440 2.533 2.074 3.539 0.099 19 0 "[ . 1 . ]" 1
97 1 4 VAL QG 1 5 MET H . . 3.610 2.982 2.377 3.489 . 0 0 "[ . 1 . ]" 1
98 1 4 VAL QG 1 6 LEU H . . 5.500 4.389 3.625 5.392 . 0 0 "[ . 1 . ]" 1
99 1 4 VAL QG 1 6 LEU HA . . 4.940 3.961 3.302 4.793 . 0 0 "[ . 1 . ]" 1
100 1 4 VAL QG 1 6 LEU QD . . 3.340 2.111 1.868 2.436 . 0 0 "[ . 1 . ]" 1
101 1 4 VAL QG 1 49 VAL H . . 5.500 4.085 1.841 4.678 . 0 0 "[ . 1 . ]" 1
102 1 4 VAL QG 1 49 VAL HB . . 5.080 3.935 1.900 4.752 . 0 0 "[ . 1 . ]" 1
103 1 4 VAL QG 1 49 VAL QG . . 4.950 2.895 2.288 3.799 . 0 0 "[ . 1 . ]" 1
104 1 4 VAL QG 1 51 PHE QD . . 3.470 3.146 2.561 3.539 0.069 17 0 "[ . 1 . ]" 1
105 1 4 VAL QG 1 51 PHE QE . . 3.330 2.464 1.929 3.029 . 0 0 "[ . 1 . ]" 1
106 1 4 VAL QG 1 51 PHE HZ . . 4.490 3.313 2.804 3.888 . 0 0 "[ . 1 . ]" 1
107 1 4 VAL QG 1 57 ALA HA . . 3.940 2.835 2.273 3.942 0.002 19 0 "[ . 1 . ]" 1
108 1 4 VAL QG 1 57 ALA MB . . 3.540 2.528 2.072 3.581 0.041 19 0 "[ . 1 . ]" 1
109 1 4 VAL QG 1 60 TRP HB3 . . 5.500 3.097 2.664 4.176 . 0 0 "[ . 1 . ]" 1
110 1 4 VAL QG 1 60 TRP HE3 . . 3.470 2.119 1.909 2.745 . 0 0 "[ . 1 . ]" 1
111 1 4 VAL QG 1 60 TRP HZ3 . . 3.470 2.533 1.794 2.904 . 0 0 "[ . 1 . ]" 1
112 1 4 VAL QG 1 61 MET HA . . 5.500 3.946 3.256 4.457 . 0 0 "[ . 1 . ]" 1
113 1 4 VAL QG 1 61 MET HB3 . . 5.500 4.517 4.164 5.140 . 0 0 "[ . 1 . ]" 1
114 1 4 VAL QG 1 77 MET HA . . 4.160 3.230 2.656 3.838 . 0 0 "[ . 1 . ]" 1
115 1 4 VAL QG 1 77 MET ME . . 3.690 2.270 2.010 2.467 . 0 0 "[ . 1 . ]" 1
116 1 4 VAL QG 1 77 MET HG3 . . 5.020 3.268 2.616 3.517 . 0 0 "[ . 1 . ]" 1
117 1 4 VAL QG 1 78 HIS H . . 3.710 2.885 2.369 3.413 . 0 0 "[ . 1 . ]" 1
118 1 4 VAL QG 1 79 TYR H . . 5.500 4.693 3.996 5.029 . 0 0 "[ . 1 . ]" 1
119 1 4 VAL QG 1 79 TYR HA . . 4.450 3.648 2.595 4.107 . 0 0 "[ . 1 . ]" 1
120 1 4 VAL QG 1 79 TYR QD . . 3.550 3.050 2.424 3.578 0.028 3 0 "[ . 1 . ]" 1
121 1 4 VAL QG 1 80 SER H . . 5.500 4.437 4.032 4.860 . 0 0 "[ . 1 . ]" 1
122 1 5 MET H 1 5 MET HG3 . . 4.800 4.308 3.105 4.819 0.019 13 0 "[ . 1 . ]" 1
123 1 5 MET H 1 6 LEU H . . 5.040 4.398 4.187 4.576 . 0 0 "[ . 1 . ]" 1
124 1 5 MET H 1 6 LEU QD . . 5.500 4.073 3.385 5.100 . 0 0 "[ . 1 . ]" 1
125 1 5 MET H 1 78 HIS H . . 3.790 2.842 2.496 3.192 . 0 0 "[ . 1 . ]" 1
126 1 5 MET H 1 78 HIS HB3 . . 4.740 4.863 4.361 5.051 0.311 6 0 "[ . 1 . ]" 1
127 1 5 MET H 1 79 TYR H . . 5.500 5.018 4.857 5.307 . 0 0 "[ . 1 . ]" 1
128 1 5 MET H 1 80 SER H . . 4.640 3.301 2.550 4.455 . 0 0 "[ . 1 . ]" 1
129 1 5 MET H 1 80 SER HB3 . . 4.430 4.251 3.471 5.114 0.684 18 2 "[ . 1 .- + ]" 1
130 1 5 MET HA 1 5 MET ME . . 4.940 4.496 4.043 5.054 0.114 10 0 "[ . 1 . ]" 1
131 1 5 MET HA 1 5 MET HG3 . . 4.130 2.941 2.127 3.755 . 0 0 "[ . 1 . ]" 1
132 1 5 MET HA 1 6 LEU H . . 2.950 2.202 2.137 2.359 . 0 0 "[ . 1 . ]" 1
133 1 5 MET HA 1 47 ALA H . . 5.110 4.230 3.864 4.536 . 0 0 "[ . 1 . ]" 1
134 1 5 MET HA 1 48 PHE HA . . 3.490 2.593 2.149 3.472 . 0 0 "[ . 1 . ]" 1
135 1 5 MET HA 1 48 PHE QD . . 4.570 3.862 2.806 4.647 0.077 16 0 "[ . 1 . ]" 1
136 1 5 MET HA 1 49 VAL H . . 4.330 3.753 3.165 4.405 0.075 11 0 "[ . 1 . ]" 1
137 1 5 MET ME 1 6 LEU H . . 5.120 4.810 3.989 5.209 0.089 18 0 "[ . 1 . ]" 1
138 1 5 MET ME 1 46 PHE HB3 . . 4.640 3.768 2.686 4.807 0.167 10 0 "[ . 1 . ]" 1
139 1 5 MET ME 1 46 PHE QD . . 3.760 3.358 2.781 3.867 0.107 14 0 "[ . 1 . ]" 1
140 1 5 MET ME 1 48 PHE QE . . 4.130 3.429 2.158 4.250 0.120 19 0 "[ . 1 . ]" 1
141 1 5 MET ME 1 78 HIS HB3 . . 5.060 4.752 3.318 5.459 0.399 1 0 "[ . 1 . ]" 1
142 1 5 MET ME 1 78 HIS HD2 . . 5.500 4.096 2.934 5.579 0.079 11 0 "[ . 1 . ]" 1
143 1 5 MET ME 1 80 SER HB3 . . 4.570 4.704 3.318 5.551 0.981 4 7 "[** +* - 1 . * *]" 1
144 1 5 MET HG3 1 46 PHE QD . . 5.320 4.274 2.693 5.217 . 0 0 "[ . 1 . ]" 1
145 1 5 MET HG3 1 48 PHE HA . . 4.750 4.200 3.425 5.080 0.330 10 0 "[ . 1 . ]" 1
146 1 5 MET HG3 1 48 PHE QD . . 5.500 3.506 2.336 4.892 . 0 0 "[ . 1 . ]" 1
147 1 5 MET HG3 1 48 PHE QE . . 3.860 2.987 2.162 4.413 0.553 10 1 "[ . + . ]" 1
148 1 5 MET HG3 1 48 PHE HZ . . 4.230 3.715 3.005 5.900 1.670 10 1 "[ . + . ]" 1
149 1 6 LEU H 1 6 LEU HB3 . . 3.880 3.694 3.565 3.823 . 0 0 "[ . 1 . ]" 1
150 1 6 LEU H 1 6 LEU QD . . 4.490 2.798 2.182 3.440 . 0 0 "[ . 1 . ]" 1
151 1 6 LEU H 1 6 LEU HG . . 4.720 3.559 2.469 4.516 . 0 0 "[ . 1 . ]" 1
152 1 6 LEU H 1 7 ARG H . . 5.370 4.200 3.916 4.564 . 0 0 "[ . 1 . ]" 1
153 1 6 LEU H 1 46 PHE HA . . 4.600 4.447 3.454 4.671 0.071 14 0 "[ . 1 . ]" 1
154 1 6 LEU H 1 46 PHE HB3 . . 5.260 4.806 3.812 5.306 0.046 2 0 "[ . 1 . ]" 1
155 1 6 LEU H 1 46 PHE QD . . 5.500 4.869 3.712 5.567 0.067 2 0 "[ . 1 . ]" 1
156 1 6 LEU H 1 47 ALA H . . 3.650 2.671 2.441 2.955 . 0 0 "[ . 1 . ]" 1
157 1 6 LEU H 1 48 PHE QD . . 5.500 5.000 4.391 5.525 0.025 16 0 "[ . 1 . ]" 1
158 1 6 LEU H 1 49 VAL H . . 5.240 4.719 3.982 5.264 0.024 10 0 "[ . 1 . ]" 1
159 1 6 LEU HA 1 6 LEU QD . . 3.220 2.158 2.072 2.393 . 0 0 "[ . 1 . ]" 1
160 1 6 LEU HA 1 7 ARG H . . 2.990 2.225 2.130 2.283 . 0 0 "[ . 1 . ]" 1
161 1 6 LEU HA 1 75 VAL MG1 . . 4.040 3.104 2.864 3.382 . 0 0 "[ . 1 . ]" 1
162 1 6 LEU HA 1 76 SER H . . 4.930 4.339 3.966 4.655 . 0 0 "[ . 1 . ]" 1
163 1 6 LEU HA 1 77 MET HA . . 3.910 2.548 2.234 2.837 . 0 0 "[ . 1 . ]" 1
164 1 6 LEU HA 1 78 HIS H . . 4.460 3.976 3.692 4.303 . 0 0 "[ . 1 . ]" 1
165 1 6 LEU HA 1 78 HIS HD2 . . 4.100 4.022 3.536 4.183 0.083 6 0 "[ . 1 . ]" 1
166 1 6 LEU HB3 1 7 ARG H . . 4.090 3.747 2.889 4.122 0.032 11 0 "[ . 1 . ]" 1
167 1 6 LEU QD 1 7 ARG H . . 4.410 3.826 3.576 4.123 . 0 0 "[ . 1 . ]" 1
168 1 6 LEU QD 1 9 LEU QD . . 3.970 2.780 2.087 3.376 . 0 0 "[ . 1 . ]" 1
169 1 6 LEU QD 1 47 ALA H . . 5.350 3.779 3.191 4.584 . 0 0 "[ . 1 . ]" 1
170 1 6 LEU QD 1 47 ALA MB . . 3.470 2.495 2.100 3.390 . 0 0 "[ . 1 . ]" 1
171 1 6 LEU QD 1 60 TRP HE3 . . 4.890 3.771 3.367 4.313 . 0 0 "[ . 1 . ]" 1
172 1 6 LEU QD 1 60 TRP HH2 . . 2.890 2.209 1.892 2.545 . 0 0 "[ . 1 . ]" 1
173 1 6 LEU QD 1 60 TRP HZ2 . . 4.740 3.792 3.060 4.229 . 0 0 "[ . 1 . ]" 1
174 1 6 LEU QD 1 60 TRP HZ3 . . 3.600 2.291 1.952 2.746 . 0 0 "[ . 1 . ]" 1
175 1 6 LEU QD 1 77 MET H . . 5.500 4.229 3.588 4.780 . 0 0 "[ . 1 . ]" 1
176 1 6 LEU QD 1 77 MET HA . . 3.670 2.612 2.118 3.188 . 0 0 "[ . 1 . ]" 1
177 1 6 LEU QD 1 77 MET HB3 . . 3.080 2.101 2.004 2.262 . 0 0 "[ . 1 . ]" 1
178 1 6 LEU QD 1 77 MET ME . . 4.120 2.554 2.303 3.044 . 0 0 "[ . 1 . ]" 1
179 1 6 LEU QD 1 77 MET HG3 . . 4.750 4.317 4.046 4.600 . 0 0 "[ . 1 . ]" 1
180 1 6 LEU QD 1 78 HIS H . . 4.370 3.685 3.360 4.226 . 0 0 "[ . 1 . ]" 1
181 1 6 LEU HG 1 49 VAL QG . . 4.020 3.658 2.354 4.072 0.052 15 0 "[ . 1 . ]" 1
182 1 6 LEU HG 1 60 TRP HH2 . . 4.920 3.446 2.731 4.500 . 0 0 "[ . 1 . ]" 1
183 1 7 ARG H 1 7 ARG HD3 . . 5.500 4.854 3.700 5.524 0.024 7 0 "[ . 1 . ]" 1
184 1 7 ARG H 1 8 MET H . . 4.680 4.367 2.649 4.650 . 0 0 "[ . 1 . ]" 1
185 1 7 ARG H 1 75 VAL HA . . 5.500 5.074 4.416 5.563 0.063 6 0 "[ . 1 . ]" 1
186 1 7 ARG H 1 75 VAL MG1 . . 3.820 3.299 2.575 3.821 0.001 6 0 "[ . 1 . ]" 1
187 1 7 ARG H 1 76 SER H . . 3.820 3.236 2.770 3.898 0.078 6 0 "[ . 1 . ]" 1
188 1 7 ARG H 1 76 SER HB3 . . 5.500 4.984 4.488 5.547 0.047 11 0 "[ . 1 . ]" 1
189 1 7 ARG H 1 77 MET H . . 5.500 4.955 4.721 5.388 . 0 0 "[ . 1 . ]" 1
190 1 7 ARG H 1 77 MET HA . . 4.510 3.426 3.200 3.872 . 0 0 "[ . 1 . ]" 1
191 1 7 ARG H 1 78 HIS H . . 5.230 4.707 4.256 5.299 0.069 2 0 "[ . 1 . ]" 1
192 1 7 ARG H 1 78 HIS HD2 . . 4.610 3.081 2.316 3.808 . 0 0 "[ . 1 . ]" 1
193 1 7 ARG HA 1 8 MET H . . 3.210 2.406 2.197 3.155 . 0 0 "[ . 1 . ]" 1
194 1 7 ARG HA 1 9 LEU H . . 4.380 3.714 3.130 4.463 0.083 6 0 "[ . 1 . ]" 1
195 1 7 ARG HA 1 46 PHE HA . . 3.660 3.185 2.423 3.730 0.070 11 0 "[ . 1 . ]" 1
196 1 7 ARG HA 1 46 PHE HB3 . . 4.100 2.193 1.970 2.420 . 0 0 "[ . 1 . ]" 1
197 1 7 ARG HA 1 46 PHE QD . . 4.080 3.845 3.075 4.165 0.085 4 0 "[ . 1 . ]" 1
198 1 7 ARG HA 1 47 ALA H . . 5.500 4.461 3.923 5.015 . 0 0 "[ . 1 . ]" 1
199 1 7 ARG HD3 1 8 MET H . . 5.500 5.110 3.829 6.132 0.632 11 1 "[ . 1+ . ]" 1
200 1 7 ARG HD3 1 78 HIS HD2 . . 5.290 4.200 2.873 5.335 0.045 2 0 "[ . 1 . ]" 1
201 1 8 MET H 1 8 MET HA . . 2.910 2.305 2.188 2.984 0.074 11 0 "[ . 1 . ]" 1
202 1 8 MET H 1 8 MET ME . . 5.440 5.063 4.496 5.286 . 0 0 "[ . 1 . ]" 1
203 1 8 MET H 1 8 MET HG3 . . 4.240 3.337 3.136 3.554 . 0 0 "[ . 1 . ]" 1
204 1 8 MET H 1 9 LEU H . . 3.360 2.708 2.394 3.297 . 0 0 "[ . 1 . ]" 1
205 1 8 MET H 1 46 PHE HA . . 4.710 4.241 3.684 4.753 0.043 17 0 "[ . 1 . ]" 1
206 1 8 MET H 1 46 PHE QD . . 5.500 4.724 3.983 5.597 0.097 6 0 "[ . 1 . ]" 1
207 1 8 MET H 1 75 VAL MG1 . . 5.500 4.445 2.649 5.097 . 0 0 "[ . 1 . ]" 1
208 1 8 MET H 1 76 SER H . . 5.500 4.800 3.030 5.208 . 0 0 "[ . 1 . ]" 1
209 1 8 MET HA 1 8 MET ME . . 4.780 4.530 4.285 4.744 . 0 0 "[ . 1 . ]" 1
210 1 8 MET HA 1 8 MET HG3 . . 3.770 3.457 3.233 3.618 . 0 0 "[ . 1 . ]" 1
211 1 8 MET HA 1 9 LEU H . . 3.160 2.835 2.494 3.111 . 0 0 "[ . 1 . ]" 1
212 1 8 MET HB3 1 8 MET ME . . 5.010 2.811 2.322 3.342 . 0 0 "[ . 1 . ]" 1
213 1 8 MET HB3 1 9 LEU H . . 5.350 4.557 4.413 4.658 . 0 0 "[ . 1 . ]" 1
214 1 8 MET HB3 1 75 VAL HA . . 3.550 3.657 3.170 3.913 0.363 4 0 "[ . 1 . ]" 1
215 1 8 MET HB3 1 75 VAL MG1 . . 4.710 4.879 4.198 5.186 0.476 8 0 "[ . 1 . ]" 1
216 1 8 MET HB3 1 75 VAL MG2 . . 5.160 4.371 3.845 4.799 . 0 0 "[ . 1 . ]" 1
217 1 8 MET HB3 1 76 SER H . . 4.020 4.734 3.812 4.882 0.862 8 17 "[***** *+** *******-]" 1
218 1 8 MET ME 1 75 VAL HA . . 4.320 3.035 2.495 3.738 . 0 0 "[ . 1 . ]" 1
219 1 8 MET ME 1 75 VAL MG1 . . 5.370 4.422 3.994 4.812 . 0 0 "[ . 1 . ]" 1
220 1 8 MET ME 1 76 SER H . . 4.310 3.120 2.322 3.850 . 0 0 "[ . 1 . ]" 1
221 1 8 MET ME 1 76 SER HA . . 5.170 4.076 3.602 4.634 . 0 0 "[ . 1 . ]" 1
222 1 8 MET ME 1 76 SER HB3 . . 4.410 3.332 2.070 4.464 0.054 9 0 "[ . 1 . ]" 1
223 1 8 MET HG3 1 75 VAL HA . . 4.950 3.913 3.352 4.540 . 0 0 "[ . 1 . ]" 1
224 1 8 MET HG3 1 75 VAL MG1 . . 5.500 4.612 4.378 4.739 . 0 0 "[ . 1 . ]" 1
225 1 8 MET HG3 1 76 SER H . . 5.300 3.275 2.908 3.596 . 0 0 "[ . 1 . ]" 1
226 1 9 LEU H 1 9 LEU HB3 . . 3.500 3.269 2.984 3.573 0.073 16 0 "[ . 1 . ]" 1
227 1 9 LEU H 1 9 LEU QD . . 4.020 3.217 2.525 3.471 . 0 0 "[ . 1 . ]" 1
228 1 9 LEU H 1 10 PRO HD3 . . 4.970 5.018 4.906 5.050 0.080 18 0 "[ . 1 . ]" 1
229 1 9 LEU H 1 45 GLY H . . 5.500 5.532 5.310 5.588 0.088 13 0 "[ . 1 . ]" 1
230 1 9 LEU H 1 45 GLY HA2 . . 4.080 3.671 3.385 4.114 0.034 10 0 "[ . 1 . ]" 1
231 1 9 LEU H 1 46 PHE H . . 5.500 4.849 4.550 5.184 . 0 0 "[ . 1 . ]" 1
232 1 9 LEU H 1 46 PHE HA . . 4.470 3.419 2.862 4.000 . 0 0 "[ . 1 . ]" 1
233 1 9 LEU H 1 75 VAL HA . . 5.500 5.235 4.767 5.567 0.067 18 0 "[ . 1 . ]" 1
234 1 9 LEU H 1 75 VAL MG1 . . 4.440 4.033 3.522 4.531 0.091 9 0 "[ . 1 . ]" 1
235 1 9 LEU H 1 75 VAL MG2 . . 4.880 4.386 3.524 4.941 0.061 3 0 "[ . 1 . ]" 1
236 1 9 LEU HA 1 9 LEU QD . . 3.360 2.084 2.018 2.259 . 0 0 "[ . 1 . ]" 1
237 1 9 LEU HA 1 9 LEU HG . . 4.030 2.809 2.436 3.162 . 0 0 "[ . 1 . ]" 1
238 1 9 LEU HA 1 10 PRO HB3 . . 5.020 4.981 4.875 5.095 0.075 6 0 "[ . 1 . ]" 1
239 1 9 LEU HA 1 10 PRO HD3 . . 3.090 2.382 2.280 2.497 . 0 0 "[ . 1 . ]" 1
240 1 9 LEU HA 1 13 ALA MB . . 4.520 4.442 3.664 4.628 0.108 17 0 "[ . 1 . ]" 1
241 1 9 LEU HA 1 70 ILE HB . . 5.210 4.562 3.774 5.185 . 0 0 "[ . 1 . ]" 1
242 1 9 LEU HA 1 73 GLN QE . . 5.500 5.239 4.329 5.423 . 0 0 "[ . 1 . ]" 1
243 1 9 LEU HA 1 75 VAL MG2 . . 3.240 2.717 2.179 3.097 . 0 0 "[ . 1 . ]" 1
244 1 9 LEU HB3 1 9 LEU QD . . 3.230 2.260 2.124 2.420 . 0 0 "[ . 1 . ]" 1
245 1 9 LEU HB3 1 45 GLY H . . 5.310 4.862 4.399 5.388 0.078 18 0 "[ . 1 . ]" 1
246 1 9 LEU HB3 1 45 GLY HA2 . . 3.920 3.421 2.935 3.997 0.077 19 0 "[ . 1 . ]" 1
247 1 9 LEU QD 1 10 PRO HD3 . . 4.160 3.360 2.450 3.918 . 0 0 "[ . 1 . ]" 1
248 1 9 LEU QD 1 45 GLY HA2 . . 5.440 4.140 3.564 4.427 . 0 0 "[ . 1 . ]" 1
249 1 9 LEU QD 1 46 PHE H . . 4.800 3.747 3.089 4.344 . 0 0 "[ . 1 . ]" 1
250 1 9 LEU QD 1 46 PHE HA . . 3.780 2.388 2.143 2.660 . 0 0 "[ . 1 . ]" 1
251 1 9 LEU QD 1 46 PHE HB3 . . 5.320 4.259 3.980 4.559 . 0 0 "[ . 1 . ]" 1
252 1 9 LEU QD 1 46 PHE QD . . 5.500 4.737 4.513 4.946 . 0 0 "[ . 1 . ]" 1
253 1 9 LEU QD 1 47 ALA H . . 4.160 2.657 2.280 3.128 . 0 0 "[ . 1 . ]" 1
254 1 9 LEU QD 1 47 ALA HA . . 5.020 3.778 3.326 4.171 . 0 0 "[ . 1 . ]" 1
255 1 9 LEU QD 1 47 ALA MB . . 3.190 2.187 1.865 2.754 . 0 0 "[ . 1 . ]" 1
256 1 9 LEU QD 1 75 VAL HA . . 5.200 4.270 3.924 4.961 . 0 0 "[ . 1 . ]" 1
257 1 9 LEU QD 1 75 VAL MG1 . . 3.250 2.167 1.877 2.757 . 0 0 "[ . 1 . ]" 1
258 1 9 LEU HG 1 45 GLY HA2 . . 5.500 5.411 4.695 5.577 0.077 15 0 "[ . 1 . ]" 1
259 1 9 LEU HG 1 46 PHE HA . . 4.770 4.273 2.431 4.855 0.085 8 0 "[ . 1 . ]" 1
260 1 10 PRO HA 1 11 GLN H . . 3.010 2.353 2.156 2.547 . 0 0 "[ . 1 . ]" 1
261 1 10 PRO HA 1 11 GLN HA . . 4.660 4.394 4.253 4.518 . 0 0 "[ . 1 . ]" 1
262 1 10 PRO HA 1 12 ALA H . . 4.230 4.059 3.825 4.283 0.053 16 0 "[ . 1 . ]" 1
263 1 10 PRO HA 1 73 GLN QE . . 4.750 3.893 2.293 4.397 . 0 0 "[ . 1 . ]" 1
264 1 10 PRO HB3 1 11 GLN H . . 4.260 3.435 3.286 3.635 . 0 0 "[ . 1 . ]" 1
265 1 10 PRO HB3 1 12 ALA H . . 4.470 3.921 3.549 4.170 . 0 0 "[ . 1 . ]" 1
266 1 10 PRO HB3 1 12 ALA MB . . 4.610 4.332 3.822 4.660 0.050 11 0 "[ . 1 . ]" 1
267 1 10 PRO HB3 1 13 ALA H . . 4.570 4.611 4.528 4.655 0.085 8 0 "[ . 1 . ]" 1
268 1 10 PRO HB3 1 13 ALA MB . . 5.380 4.674 4.474 4.840 . 0 0 "[ . 1 . ]" 1
269 1 10 PRO HB3 1 71 LEU QD . . 4.530 3.845 2.979 4.417 . 0 0 "[ . 1 . ]" 1
270 1 10 PRO HB3 1 73 GLN QE . . 4.980 2.074 1.577 2.329 . 0 0 "[ . 1 . ]" 1
271 1 10 PRO HD3 1 11 GLN H . . 5.500 5.478 5.371 5.565 0.065 19 0 "[ . 1 . ]" 1
272 1 10 PRO HD3 1 13 ALA H . . 5.500 5.256 4.931 5.518 0.018 14 0 "[ . 1 . ]" 1
273 1 10 PRO HD3 1 13 ALA MB . . 4.210 3.977 3.599 4.244 0.034 6 0 "[ . 1 . ]" 1
274 1 10 PRO HD3 1 70 ILE H . . 5.500 4.787 4.370 5.220 . 0 0 "[ . 1 . ]" 1
275 1 10 PRO HD3 1 70 ILE HB . . 4.410 3.889 3.413 4.346 . 0 0 "[ . 1 . ]" 1
276 1 10 PRO HD3 1 70 ILE MD . . 5.010 4.899 4.445 5.117 0.107 9 0 "[ . 1 . ]" 1
277 1 10 PRO HD3 1 70 ILE MG . . 4.670 4.003 3.320 4.761 0.091 19 0 "[ . 1 . ]" 1
278 1 10 PRO HD3 1 73 GLN HB3 . . 4.220 3.291 2.967 4.677 0.457 19 0 "[ . 1 . ]" 1
279 1 10 PRO HD3 1 73 GLN QE . . 5.500 3.121 2.634 3.344 . 0 0 "[ . 1 . ]" 1
280 1 10 PRO HD3 1 73 GLN HG3 . . 4.630 4.479 2.266 4.820 0.190 17 0 "[ . 1 . ]" 1
281 1 10 PRO HD3 1 75 VAL MG2 . . 3.620 3.194 2.648 3.730 0.110 16 0 "[ . 1 . ]" 1
282 1 10 PRO HG3 1 13 ALA H . . 4.750 4.002 3.616 4.433 . 0 0 "[ . 1 . ]" 1
283 1 10 PRO HG3 1 13 ALA MB . . 4.450 3.215 2.712 3.572 . 0 0 "[ . 1 . ]" 1
284 1 10 PRO HG3 1 70 ILE MG . . 4.040 3.224 2.583 3.963 . 0 0 "[ . 1 . ]" 1
285 1 11 GLN H 1 12 ALA H . . 3.620 2.465 2.093 2.829 . 0 0 "[ . 1 . ]" 1
286 1 11 GLN H 1 12 ALA MB . . 5.210 4.090 3.789 4.498 . 0 0 "[ . 1 . ]" 1
287 1 11 GLN H 1 13 ALA H . . 4.960 4.291 3.785 4.461 . 0 0 "[ . 1 . ]" 1
288 1 11 GLN H 1 71 LEU QD . . 5.500 5.068 4.489 5.470 . 0 0 "[ . 1 . ]" 1
289 1 11 GLN H 1 73 GLN QE . . 5.500 4.987 3.972 5.306 . 0 0 "[ . 1 . ]" 1
290 1 11 GLN HA 1 11 GLN HE21 . . 4.500 2.900 2.051 3.828 . 0 0 "[ . 1 . ]" 1
291 1 11 GLN HA 1 11 GLN HE22 . . 4.620 3.522 3.019 3.964 . 0 0 "[ . 1 . ]" 1
292 1 11 GLN HA 1 13 ALA H . . 4.250 4.189 3.618 4.332 0.082 10 0 "[ . 1 . ]" 1
293 1 11 GLN HA 1 13 ALA MB . . 5.500 4.882 4.083 5.285 . 0 0 "[ . 1 . ]" 1
294 1 11 GLN HE21 1 12 ALA HA . . 5.500 5.056 4.266 5.578 0.078 19 0 "[ . 1 . ]" 1
295 1 11 GLN HE21 1 43 SER HB3 . . 5.500 5.591 4.619 6.404 0.904 11 6 "[ * *+ * *- ]" 1
296 1 11 GLN HE22 1 43 SER HB3 . . 5.500 4.534 3.679 5.565 0.065 14 0 "[ . 1 . ]" 1
297 1 12 ALA H 1 12 ALA MB . . 2.990 2.247 2.144 2.543 . 0 0 "[ . 1 . ]" 1
298 1 12 ALA H 1 13 ALA H . . 3.210 2.568 1.981 2.847 . 0 0 "[ . 1 . ]" 1
299 1 12 ALA H 1 13 ALA HA . . 5.490 5.074 4.648 5.320 . 0 0 "[ . 1 . ]" 1
300 1 12 ALA H 1 13 ALA MB . . 4.710 4.265 3.801 4.552 . 0 0 "[ . 1 . ]" 1
301 1 12 ALA H 1 71 LEU QD . . 4.430 3.603 3.153 3.974 . 0 0 "[ . 1 . ]" 1
302 1 12 ALA HA 1 13 ALA MB . . 5.030 5.005 4.801 5.094 0.064 15 0 "[ . 1 . ]" 1
303 1 12 ALA HA 1 71 LEU QD . . 5.310 4.132 3.817 4.722 . 0 0 "[ . 1 . ]" 1
304 1 12 ALA MB 1 13 ALA H . . 3.810 3.001 2.371 3.511 . 0 0 "[ . 1 . ]" 1
305 1 12 ALA MB 1 13 ALA HA . . 4.290 3.886 3.593 4.266 . 0 0 "[ . 1 . ]" 1
306 1 12 ALA MB 1 71 LEU QD . . 3.420 2.092 1.916 2.508 . 0 0 "[ . 1 . ]" 1
307 1 13 ALA H 1 13 ALA MB . . 3.000 2.246 2.052 2.356 . 0 0 "[ . 1 . ]" 1
308 1 13 ALA H 1 71 LEU QD . . 3.870 2.948 2.487 3.258 . 0 0 "[ . 1 . ]" 1
309 1 13 ALA HA 1 14 THR H . . 2.770 2.356 2.184 2.649 . 0 0 "[ . 1 . ]" 1
310 1 13 ALA HA 1 14 THR MG . . 3.950 3.508 2.970 4.026 0.076 12 0 "[ . 1 . ]" 1
311 1 13 ALA HA 1 17 ASP HB3 . . 4.810 4.399 3.612 4.871 0.061 15 0 "[ . 1 . ]" 1
312 1 13 ALA HA 1 70 ILE MG . . 4.140 3.708 3.279 4.216 0.076 15 0 "[ . 1 . ]" 1
313 1 13 ALA HA 1 71 LEU QD . . 3.250 2.391 2.072 3.023 . 0 0 "[ . 1 . ]" 1
314 1 13 ALA MB 1 14 THR H . . 3.540 2.642 2.257 3.227 . 0 0 "[ . 1 . ]" 1
315 1 13 ALA MB 1 15 GLU H . . 5.500 5.522 5.302 5.611 0.111 17 0 "[ . 1 . ]" 1
316 1 13 ALA MB 1 17 ASP HB3 . . 4.440 3.466 2.775 4.531 0.091 4 0 "[ . 1 . ]" 1
317 1 13 ALA MB 1 18 ILE H . . 5.500 4.788 4.314 5.415 . 0 0 "[ . 1 . ]" 1
318 1 13 ALA MB 1 70 ILE MG . . 3.020 2.309 1.995 2.897 . 0 0 "[ . 1 . ]" 1
319 1 14 THR H 1 14 THR MG . . 3.370 2.860 2.539 3.378 0.008 9 0 "[ . 1 . ]" 1
320 1 14 THR H 1 15 GLU H . . 5.500 4.491 4.304 4.615 . 0 0 "[ . 1 . ]" 1
321 1 14 THR H 1 16 ASP H . . 5.000 4.695 4.320 4.977 . 0 0 "[ . 1 . ]" 1
322 1 14 THR H 1 17 ASP H . . 3.730 3.267 2.992 3.657 . 0 0 "[ . 1 . ]" 1
323 1 14 THR H 1 17 ASP HA . . 4.810 4.792 4.397 4.902 0.092 4 0 "[ . 1 . ]" 1
324 1 14 THR H 1 17 ASP HB3 . . 3.880 3.469 2.629 3.941 0.061 17 0 "[ . 1 . ]" 1
325 1 14 THR H 1 18 ILE H . . 4.990 4.541 4.042 4.919 . 0 0 "[ . 1 . ]" 1
326 1 14 THR H 1 34 LEU QD . . 4.330 3.562 3.107 4.388 0.058 8 0 "[ . 1 . ]" 1
327 1 14 THR H 1 70 ILE MG . . 4.980 4.301 3.783 5.007 0.027 10 0 "[ . 1 . ]" 1
328 1 14 THR HA 1 14 THR MG . . 3.310 2.399 2.147 2.606 . 0 0 "[ . 1 . ]" 1
329 1 14 THR HA 1 15 GLU H . . 2.870 2.417 2.341 2.630 . 0 0 "[ . 1 . ]" 1
330 1 14 THR HA 1 15 GLU HA . . 4.250 4.325 4.286 4.335 0.085 5 0 "[ . 1 . ]" 1
331 1 14 THR HA 1 34 LEU QD . . 3.550 2.261 1.967 2.842 . 0 0 "[ . 1 . ]" 1
332 1 14 THR HA 1 35 MET HB3 . . 5.110 5.775 4.593 6.873 1.763 10 9 "[ * * *-*+ * * *]" 1
333 1 14 THR HB 1 15 GLU H . . 3.070 2.518 2.017 2.876 . 0 0 "[ . 1 . ]" 1
334 1 14 THR HB 1 15 GLU HB3 . . 4.820 4.512 4.110 4.871 0.051 1 0 "[ . 1 . ]" 1
335 1 14 THR HB 1 16 ASP H . . 3.360 2.711 2.314 2.986 . 0 0 "[ . 1 . ]" 1
336 1 14 THR HB 1 16 ASP HB3 . . 4.480 4.036 3.077 5.059 0.579 4 1 "[ +. 1 . ]" 1
337 1 14 THR HB 1 17 ASP H . . 4.270 3.740 3.261 4.234 . 0 0 "[ . 1 . ]" 1
338 1 14 THR HB 1 34 LEU QD . . 5.220 3.946 2.724 4.468 . 0 0 "[ . 1 . ]" 1
339 1 14 THR MG 1 15 GLU H . . 3.880 3.731 3.279 3.952 0.072 13 0 "[ . 1 . ]" 1
340 1 14 THR MG 1 16 ASP H . . 4.480 4.223 4.005 4.449 . 0 0 "[ . 1 . ]" 1
341 1 14 THR MG 1 17 ASP H . . 4.650 4.324 3.966 4.732 0.082 17 0 "[ . 1 . ]" 1
342 1 15 GLU H 1 15 GLU HB3 . . 3.330 2.904 2.643 3.280 . 0 0 "[ . 1 . ]" 1
343 1 15 GLU H 1 15 GLU HG3 . . 4.260 3.918 3.346 4.205 . 0 0 "[ . 1 . ]" 1
344 1 15 GLU H 1 16 ASP H . . 3.440 2.696 2.497 2.957 . 0 0 "[ . 1 . ]" 1
345 1 15 GLU H 1 16 ASP HB3 . . 5.190 5.290 4.685 6.089 0.899 19 3 "[ . -* . +]" 1
346 1 15 GLU H 1 17 ASP H . . 4.840 4.270 4.134 4.464 . 0 0 "[ . 1 . ]" 1
347 1 15 GLU H 1 18 ILE H . . 5.500 5.253 4.878 5.552 0.052 2 0 "[ . 1 . ]" 1
348 1 15 GLU H 1 34 LEU H . . 5.500 5.578 5.560 5.589 0.089 13 0 "[ . 1 . ]" 1
349 1 15 GLU H 1 34 LEU HB3 . . 5.500 3.500 3.309 3.906 . 0 0 "[ . 1 . ]" 1
350 1 15 GLU H 1 34 LEU QD . . 4.410 2.563 1.724 3.098 . 0 0 "[ . 1 . ]" 1
351 1 15 GLU HA 1 15 GLU HG3 . . 3.830 2.545 2.206 2.950 . 0 0 "[ . 1 . ]" 1
352 1 15 GLU HA 1 17 ASP H . . 4.690 4.312 3.908 4.699 0.009 10 0 "[ . 1 . ]" 1
353 1 15 GLU HA 1 18 ILE H . . 4.000 3.738 3.263 4.018 0.018 9 0 "[ . 1 . ]" 1
354 1 15 GLU HA 1 18 ILE HB . . 3.740 3.437 3.020 3.811 0.071 5 0 "[ . 1 . ]" 1
355 1 15 GLU HA 1 18 ILE MD . . 3.550 3.119 2.324 3.622 0.072 2 0 "[ . 1 . ]" 1
356 1 15 GLU HA 1 18 ILE HG13 . . 4.600 3.854 2.735 4.628 0.028 13 0 "[ . 1 . ]" 1
357 1 15 GLU HA 1 19 ARG H . . 4.550 4.442 4.194 4.608 0.058 5 0 "[ . 1 . ]" 1
358 1 15 GLU HA 1 32 VAL QG . . 3.660 3.246 2.576 3.684 0.024 5 0 "[ . 1 . ]" 1
359 1 15 GLU HA 1 34 LEU H . . 5.400 4.444 4.092 4.943 . 0 0 "[ . 1 . ]" 1
360 1 15 GLU HA 1 34 LEU HB3 . . 4.750 2.638 2.058 3.386 . 0 0 "[ . 1 . ]" 1
361 1 15 GLU HA 1 34 LEU QD . . 3.430 2.834 1.991 3.290 . 0 0 "[ . 1 . ]" 1
362 1 15 GLU HB3 1 34 LEU QD . . 5.360 4.447 3.715 4.921 . 0 0 "[ . 1 . ]" 1
363 1 15 GLU HG3 1 16 ASP H . . 5.370 5.091 4.921 5.299 . 0 0 "[ . 1 . ]" 1
364 1 15 GLU HG3 1 32 VAL QG . . 4.140 2.459 2.033 3.027 . 0 0 "[ . 1 . ]" 1
365 1 15 GLU HG3 1 33 ARG HA . . 4.590 4.516 4.231 4.683 0.093 8 0 "[ . 1 . ]" 1
366 1 15 GLU HG3 1 34 LEU H . . 4.450 2.675 2.197 3.062 . 0 0 "[ . 1 . ]" 1
367 1 15 GLU HG3 1 34 LEU HB3 . . 4.550 2.491 2.182 2.863 . 0 0 "[ . 1 . ]" 1
368 1 15 GLU HG3 1 34 LEU QD . . 4.150 3.716 3.064 4.062 . 0 0 "[ . 1 . ]" 1
369 1 16 ASP H 1 16 ASP HB3 . . 3.020 2.798 2.358 3.470 0.450 19 0 "[ . 1 . ]" 1
370 1 16 ASP H 1 17 ASP H . . 3.260 2.647 2.460 2.801 . 0 0 "[ . 1 . ]" 1
371 1 16 ASP H 1 18 ILE H . . 4.840 4.247 3.926 4.628 . 0 0 "[ . 1 . ]" 1
372 1 16 ASP HA 1 19 ARG H . . 3.750 3.061 2.832 3.416 . 0 0 "[ . 1 . ]" 1
373 1 16 ASP HA 1 19 ARG HD3 . . 4.280 2.616 1.974 4.116 . 0 0 "[ . 1 . ]" 1
374 1 16 ASP HA 1 19 ARG HG3 . . 4.400 3.626 3.022 4.287 . 0 0 "[ . 1 . ]" 1
375 1 16 ASP HA 1 20 GLY H . . 4.240 3.971 3.705 4.273 0.033 16 0 "[ . 1 . ]" 1
376 1 16 ASP HB3 1 17 ASP H . . 4.060 2.984 2.523 3.468 . 0 0 "[ . 1 . ]" 1
377 1 16 ASP HB3 1 19 ARG HD3 . . 5.500 5.336 4.530 6.917 1.417 14 4 "[ . * 1 - +.* ]" 1
378 1 17 ASP H 1 17 ASP HB3 . . 3.590 3.381 2.720 3.638 0.048 16 0 "[ . 1 . ]" 1
379 1 17 ASP H 1 18 ILE H . . 3.240 2.655 2.519 2.767 . 0 0 "[ . 1 . ]" 1
380 1 17 ASP H 1 18 ILE HA . . 5.330 5.329 5.210 5.405 0.075 14 0 "[ . 1 . ]" 1
381 1 17 ASP H 1 18 ILE HB . . 5.170 4.875 4.467 5.226 0.056 19 0 "[ . 1 . ]" 1
382 1 17 ASP H 1 18 ILE HG13 . . 4.880 4.393 3.855 4.761 . 0 0 "[ . 1 . ]" 1
383 1 17 ASP H 1 19 ARG H . . 4.520 4.005 3.676 4.256 . 0 0 "[ . 1 . ]" 1
384 1 17 ASP HA 1 19 ARG H . . 5.180 4.580 4.431 4.724 . 0 0 "[ . 1 . ]" 1
385 1 17 ASP HA 1 20 GLY H . . 4.020 3.758 3.521 4.075 0.055 4 0 "[ . 1 . ]" 1
386 1 17 ASP HA 1 21 GLN H . . 5.140 4.678 4.272 5.217 0.077 8 0 "[ . 1 . ]" 1
387 1 17 ASP HA 1 70 ILE MG . . 4.840 4.652 3.822 4.934 0.094 4 0 "[ . 1 . ]" 1
388 1 17 ASP HB3 1 18 ILE H . . 3.990 3.189 2.211 3.835 . 0 0 "[ . 1 . ]" 1
389 1 17 ASP HB3 1 18 ILE HG13 . . 5.300 3.729 2.741 4.609 . 0 0 "[ . 1 . ]" 1
390 1 17 ASP HB3 1 19 ARG H . . 5.500 5.363 4.803 5.595 0.095 8 0 "[ . 1 . ]" 1
391 1 17 ASP HB3 1 70 ILE MG . . 3.700 2.715 2.182 3.289 . 0 0 "[ . 1 . ]" 1
392 1 18 ILE H 1 18 ILE HB . . 3.190 2.510 2.240 2.767 . 0 0 "[ . 1 . ]" 1
393 1 18 ILE H 1 18 ILE MD . . 3.940 3.639 3.237 3.911 . 0 0 "[ . 1 . ]" 1
394 1 18 ILE H 1 18 ILE HG13 . . 3.440 2.313 1.906 2.824 . 0 0 "[ . 1 . ]" 1
395 1 18 ILE H 1 18 ILE MG . . 4.620 3.808 3.669 3.908 . 0 0 "[ . 1 . ]" 1
396 1 18 ILE H 1 19 ARG H . . 3.320 2.503 1.855 2.794 . 0 0 "[ . 1 . ]" 1
397 1 18 ILE H 1 19 ARG HA . . 5.500 5.171 4.632 5.365 . 0 0 "[ . 1 . ]" 1
398 1 18 ILE H 1 20 GLY H . . 4.990 4.111 3.669 4.445 . 0 0 "[ . 1 . ]" 1
399 1 18 ILE HA 1 18 ILE MD . . 3.950 3.851 3.744 3.990 0.040 11 0 "[ . 1 . ]" 1
400 1 18 ILE HA 1 18 ILE HG13 . . 3.760 3.041 2.738 3.431 . 0 0 "[ . 1 . ]" 1
401 1 18 ILE HA 1 18 ILE MG . . 3.240 2.446 2.306 2.653 . 0 0 "[ . 1 . ]" 1
402 1 18 ILE HA 1 20 GLY H . . 5.490 4.340 3.995 4.605 . 0 0 "[ . 1 . ]" 1
403 1 18 ILE HA 1 21 GLN H . . 4.120 3.199 2.865 3.770 . 0 0 "[ . 1 . ]" 1
404 1 18 ILE HA 1 21 GLN HB3 . . 4.170 4.025 3.565 4.744 0.574 18 1 "[ . 1 . + ]" 1
405 1 18 ILE HA 1 21 GLN HG3 . . 5.040 3.233 2.528 4.380 . 0 0 "[ . 1 . ]" 1
406 1 18 ILE HA 1 22 LEU H . . 5.270 4.390 3.876 5.333 0.063 18 0 "[ . 1 . ]" 1
407 1 18 ILE HA 1 22 LEU HG . . 5.500 4.480 3.913 5.590 0.090 12 0 "[ . 1 . ]" 1
408 1 18 ILE HB 1 18 ILE MD . . 3.280 2.417 2.187 2.695 . 0 0 "[ . 1 . ]" 1
409 1 18 ILE HB 1 19 ARG H . . 3.490 2.706 2.347 2.957 . 0 0 "[ . 1 . ]" 1
410 1 18 ILE MD 1 18 ILE MG . . 3.170 2.085 2.010 2.193 . 0 0 "[ . 1 . ]" 1
411 1 18 ILE MD 1 19 ARG H . . 5.000 4.639 4.187 4.985 . 0 0 "[ . 1 . ]" 1
412 1 18 ILE MD 1 47 ALA HA . . 5.500 4.613 3.940 5.579 0.079 10 0 "[ . 1 . ]" 1
413 1 18 ILE MD 1 47 ALA MB . . 3.710 2.305 1.901 2.996 . 0 0 "[ . 1 . ]" 1
414 1 18 ILE MD 1 60 TRP HH2 . . 5.500 4.074 3.433 4.765 . 0 0 "[ . 1 . ]" 1
415 1 18 ILE HG13 1 19 ARG H . . 4.810 4.267 3.696 4.555 . 0 0 "[ . 1 . ]" 1
416 1 18 ILE MG 1 19 ARG H . . 3.900 3.529 2.987 3.724 . 0 0 "[ . 1 . ]" 1
417 1 18 ILE MG 1 19 ARG HA . . 4.600 3.584 2.855 3.931 . 0 0 "[ . 1 . ]" 1
418 1 18 ILE MG 1 20 GLY H . . 5.490 5.059 4.855 5.271 . 0 0 "[ . 1 . ]" 1
419 1 18 ILE MG 1 21 GLN H . . 4.610 4.346 3.865 4.641 0.031 11 0 "[ . 1 . ]" 1
420 1 18 ILE MG 1 22 LEU H . . 4.780 4.141 3.422 4.808 0.028 13 0 "[ . 1 . ]" 1
421 1 18 ILE MG 1 22 LEU QD . . 3.710 2.073 1.893 2.432 . 0 0 "[ . 1 . ]" 1
422 1 18 ILE MG 1 49 VAL QG . . 3.000 2.403 1.985 2.960 . 0 0 "[ . 1 . ]" 1
423 1 18 ILE MG 1 60 TRP HH2 . . 3.980 2.395 1.964 3.104 . 0 0 "[ . 1 . ]" 1
424 1 19 ARG H 1 19 ARG HB3 . . 3.770 3.610 3.544 3.708 . 0 0 "[ . 1 . ]" 1
425 1 19 ARG H 1 19 ARG HD3 . . 4.860 3.847 3.035 4.840 . 0 0 "[ . 1 . ]" 1
426 1 19 ARG H 1 19 ARG HG3 . . 3.490 2.526 2.212 2.984 . 0 0 "[ . 1 . ]" 1
427 1 19 ARG H 1 20 GLY H . . 3.640 2.811 2.702 2.967 . 0 0 "[ . 1 . ]" 1
428 1 19 ARG H 1 20 GLY HA2 . . 5.180 5.440 5.304 5.560 0.380 18 0 "[ . 1 . ]" 1
429 1 19 ARG H 1 21 GLN H . . 4.810 4.173 4.026 4.373 . 0 0 "[ . 1 . ]" 1
430 1 19 ARG H 1 22 LEU H . . 5.500 5.062 4.746 5.556 0.056 8 0 "[ . 1 . ]" 1
431 1 19 ARG H 1 22 LEU QD . . 4.940 3.730 3.294 4.163 . 0 0 "[ . 1 . ]" 1
432 1 19 ARG H 1 32 VAL QG . . 5.050 4.013 3.212 4.578 . 0 0 "[ . 1 . ]" 1
433 1 19 ARG HA 1 19 ARG HD3 . . 4.760 4.397 4.186 4.521 . 0 0 "[ . 1 . ]" 1
434 1 19 ARG HA 1 19 ARG HG3 . . 3.920 2.655 2.277 3.006 . 0 0 "[ . 1 . ]" 1
435 1 19 ARG HA 1 21 GLN H . . 5.240 4.291 3.847 4.693 . 0 0 "[ . 1 . ]" 1
436 1 19 ARG HA 1 22 LEU H . . 3.960 3.675 3.241 4.034 0.074 6 0 "[ . 1 . ]" 1
437 1 19 ARG HA 1 22 LEU QD . . 3.200 2.033 1.868 2.164 . 0 0 "[ . 1 . ]" 1
438 1 19 ARG HA 1 22 LEU HG . . 4.200 3.897 2.703 4.285 0.085 8 0 "[ . 1 . ]" 1
439 1 19 ARG HA 1 32 VAL QG . . 4.340 3.935 3.375 4.296 . 0 0 "[ . 1 . ]" 1
440 1 19 ARG HB3 1 19 ARG HD3 . . 3.570 2.960 2.314 3.590 0.020 6 0 "[ . 1 . ]" 1
441 1 19 ARG HB3 1 20 GLY H . . 4.260 3.644 3.354 3.910 . 0 0 "[ . 1 . ]" 1
442 1 19 ARG HB3 1 22 LEU QD . . 5.500 4.098 3.652 4.433 . 0 0 "[ . 1 . ]" 1
443 1 19 ARG HD3 1 22 LEU QD . . 5.500 5.336 4.777 5.512 0.012 11 0 "[ . 1 . ]" 1
444 1 19 ARG HD3 1 32 VAL QG . . 5.010 4.026 3.308 4.827 . 0 0 "[ . 1 . ]" 1
445 1 19 ARG HG3 1 22 LEU QD . . 5.170 3.528 3.095 3.815 . 0 0 "[ . 1 . ]" 1
446 1 19 ARG HG3 1 32 VAL QG . . 4.530 2.609 2.075 3.040 . 0 0 "[ . 1 . ]" 1
447 1 20 GLY H 1 21 GLN H . . 3.510 2.738 2.513 2.901 . 0 0 "[ . 1 . ]" 1
448 1 20 GLY H 1 21 GLN HB3 . . 5.180 6.166 5.955 6.471 1.291 14 19 [*******-*****+*****] 1
449 1 20 GLY H 1 22 LEU H . . 5.400 4.220 3.897 4.498 . 0 0 "[ . 1 . ]" 1
450 1 20 GLY H 1 22 LEU QD . . 5.500 4.500 3.714 5.034 . 0 0 "[ . 1 . ]" 1
451 1 20 GLY HA2 1 22 LEU H . . 4.850 4.148 3.194 4.639 . 0 0 "[ . 1 . ]" 1
452 1 21 GLN H 1 21 GLN HB3 . . 3.240 3.492 3.341 3.604 0.364 14 0 "[ . 1 . ]" 1
453 1 21 GLN H 1 21 GLN HG3 . . 4.010 3.520 3.117 4.050 0.040 15 0 "[ . 1 . ]" 1
454 1 21 GLN H 1 22 LEU H . . 3.290 2.536 2.210 2.733 . 0 0 "[ . 1 . ]" 1
455 1 21 GLN H 1 22 LEU HB3 . . 5.470 6.052 5.572 6.357 0.887 2 13 "[*+*** * 1* -**** *]" 1
456 1 21 GLN H 1 22 LEU QD . . 5.500 3.998 2.530 4.744 . 0 0 "[ . 1 . ]" 1
457 1 21 GLN H 1 22 LEU HG . . 4.880 4.396 3.612 4.983 0.103 12 0 "[ . 1 . ]" 1
458 1 21 GLN H 1 23 GLN H . . 4.930 4.297 3.976 4.578 . 0 0 "[ . 1 . ]" 1
459 1 21 GLN HA 1 21 GLN HE21 . . 4.610 2.502 1.884 3.391 . 0 0 "[ . 1 . ]" 1
460 1 21 GLN HA 1 21 GLN HE22 . . 4.400 4.052 3.417 4.456 0.056 18 0 "[ . 1 . ]" 1
461 1 21 GLN HA 1 23 GLN H . . 4.840 4.694 4.336 4.908 0.068 7 0 "[ . 1 . ]" 1
462 1 21 GLN HA 1 24 SER H . . 4.860 3.665 3.160 4.486 . 0 0 "[ . 1 . ]" 1
463 1 21 GLN HB3 1 22 LEU H . . 3.870 3.601 3.164 4.108 0.238 5 0 "[ . 1 . ]" 1
464 1 21 GLN HB3 1 22 LEU HG . . 5.040 4.225 3.709 5.757 0.717 18 1 "[ . 1 . + ]" 1
465 1 21 GLN HB3 1 60 TRP HZ2 . . 3.640 2.635 2.197 3.591 . 0 0 "[ . 1 . ]" 1
466 1 21 GLN HE21 1 24 SER H . . 5.500 5.507 4.693 5.890 0.390 15 0 "[ . 1 . ]" 1
467 1 21 GLN HE21 1 60 TRP HZ2 . . 5.500 5.164 3.962 5.583 0.083 18 0 "[ . 1 . ]" 1
468 1 21 GLN HE21 1 69 ASN H . . 5.500 5.402 4.991 5.591 0.091 3 0 "[ . 1 . ]" 1
469 1 21 GLN HE21 1 70 ILE MD . . 5.190 5.166 4.017 5.283 0.093 4 0 "[ . 1 . ]" 1
470 1 21 GLN HE21 1 70 ILE HG13 . . 5.310 5.149 4.410 5.387 0.077 14 0 "[ . 1 . ]" 1
471 1 21 GLN HE22 1 68 LEU QD . . 5.500 2.796 2.021 4.574 . 0 0 "[ . 1 . ]" 1
472 1 21 GLN HE22 1 69 ASN H . . 5.500 4.013 3.426 5.585 0.085 15 0 "[ . 1 . ]" 1
473 1 21 GLN HE22 1 70 ILE MD . . 4.740 4.650 4.270 5.280 0.540 15 1 "[ . 1 + ]" 1
474 1 21 GLN HE22 1 70 ILE HG13 . . 4.900 4.681 3.808 5.309 0.409 15 0 "[ . 1 . ]" 1
475 1 21 GLN HG3 1 68 LEU QD . . 4.100 3.622 3.131 3.920 . 0 0 "[ . 1 . ]" 1
476 1 21 GLN HG3 1 70 ILE MD . . 3.770 3.388 2.780 3.878 0.108 18 0 "[ . 1 . ]" 1
477 1 21 GLN HG3 1 70 ILE HG13 . . 4.850 3.077 2.408 3.940 . 0 0 "[ . 1 . ]" 1
478 1 22 LEU H 1 22 LEU HB3 . . 3.280 3.604 3.525 3.673 0.393 13 0 "[ . 1 . ]" 1
479 1 22 LEU H 1 22 LEU QD . . 3.800 2.803 1.729 3.367 . 0 0 "[ . 1 . ]" 1
480 1 22 LEU H 1 22 LEU HG . . 3.380 2.587 2.047 3.461 0.081 8 0 "[ . 1 . ]" 1
481 1 22 LEU H 1 23 GLN H . . 3.410 2.567 2.141 2.901 . 0 0 "[ . 1 . ]" 1
482 1 22 LEU H 1 60 TRP HE1 . . 5.500 4.622 3.978 5.242 . 0 0 "[ . 1 . ]" 1
483 1 22 LEU HA 1 22 LEU QD . . 3.270 2.319 2.053 3.105 . 0 0 "[ . 1 . ]" 1
484 1 22 LEU HA 1 22 LEU HG . . 3.730 2.909 2.554 3.734 0.004 8 0 "[ . 1 . ]" 1
485 1 22 LEU HA 1 27 VAL HB . . 4.170 3.564 2.511 4.253 0.083 10 0 "[ . 1 . ]" 1
486 1 22 LEU HA 1 27 VAL QG . . 3.890 2.920 2.078 3.746 . 0 0 "[ . 1 . ]" 1
487 1 22 LEU HA 1 60 TRP HD1 . . 5.180 3.867 3.365 4.659 . 0 0 "[ . 1 . ]" 1
488 1 22 LEU HA 1 60 TRP HE1 . . 4.220 2.937 2.393 3.689 . 0 0 "[ . 1 . ]" 1
489 1 22 LEU HA 1 60 TRP HZ2 . . 4.260 4.114 3.602 4.336 0.076 19 0 "[ . 1 . ]" 1
490 1 22 LEU HB3 1 22 LEU QD . . 3.190 2.156 2.077 2.490 . 0 0 "[ . 1 . ]" 1
491 1 22 LEU HB3 1 23 GLN H . . 3.380 3.577 3.288 4.094 0.714 17 3 "[ * . - 1 . + ]" 1
492 1 22 LEU HB3 1 23 GLN HA . . 5.280 4.460 4.003 5.156 . 0 0 "[ . 1 . ]" 1
493 1 22 LEU HB3 1 27 VAL QG . . 4.800 2.867 2.104 3.720 . 0 0 "[ . 1 . ]" 1
494 1 22 LEU HB3 1 29 ALA HA . . 5.380 4.808 4.483 5.405 0.025 17 0 "[ . 1 . ]" 1
495 1 22 LEU QD 1 23 GLN H . . 4.880 3.744 2.712 4.204 . 0 0 "[ . 1 . ]" 1
496 1 22 LEU QD 1 27 VAL H . . 5.500 4.639 4.321 5.109 . 0 0 "[ . 1 . ]" 1
497 1 22 LEU QD 1 27 VAL HB . . 4.250 2.829 2.061 3.798 . 0 0 "[ . 1 . ]" 1
498 1 22 LEU QD 1 27 VAL QG . . 3.660 2.663 1.930 3.607 . 0 0 "[ . 1 . ]" 1
499 1 22 LEU QD 1 29 ALA H . . 4.170 3.152 2.304 3.947 . 0 0 "[ . 1 . ]" 1
500 1 22 LEU QD 1 29 ALA HA . . 4.480 3.107 2.608 4.180 . 0 0 "[ . 1 . ]" 1
501 1 22 LEU QD 1 29 ALA MB . . 4.130 1.865 1.703 2.193 . 0 0 "[ . 1 . ]" 1
502 1 22 LEU QD 1 49 VAL QG . . 3.810 2.042 1.735 2.757 . 0 0 "[ . 1 . ]" 1
503 1 22 LEU QD 1 51 PHE QE . . 3.500 2.500 2.013 3.544 0.044 8 0 "[ . 1 . ]" 1
504 1 22 LEU QD 1 51 PHE HZ . . 3.490 2.379 1.954 3.389 . 0 0 "[ . 1 . ]" 1
505 1 22 LEU QD 1 60 TRP HB3 . . 5.490 4.336 3.795 5.583 0.093 12 0 "[ . 1 . ]" 1
506 1 22 LEU QD 1 60 TRP HD1 . . 4.920 3.849 3.285 4.348 . 0 0 "[ . 1 . ]" 1
507 1 22 LEU QD 1 60 TRP HE1 . . 4.710 3.274 2.385 3.883 . 0 0 "[ . 1 . ]" 1
508 1 22 LEU QD 1 60 TRP HE3 . . 5.150 3.520 2.942 4.874 . 0 0 "[ . 1 . ]" 1
509 1 22 LEU QD 1 60 TRP HH2 . . 4.170 3.108 2.842 3.457 . 0 0 "[ . 1 . ]" 1
510 1 22 LEU QD 1 60 TRP HZ2 . . 3.730 2.949 1.792 3.534 . 0 0 "[ . 1 . ]" 1
511 1 22 LEU QD 1 68 LEU QD . . 5.500 3.965 3.364 4.426 . 0 0 "[ . 1 . ]" 1
512 1 22 LEU HG 1 23 GLN H . . 4.520 4.435 4.250 4.614 0.094 12 0 "[ . 1 . ]" 1
513 1 22 LEU HG 1 49 VAL QG . . 5.500 3.687 3.014 3.975 . 0 0 "[ . 1 . ]" 1
514 1 22 LEU HG 1 60 TRP HH2 . . 5.490 4.064 3.466 5.118 . 0 0 "[ . 1 . ]" 1
515 1 22 LEU HG 1 60 TRP HZ2 . . 3.720 3.186 2.776 3.837 0.117 8 0 "[ . 1 . ]" 1
516 1 23 GLN H 1 23 GLN HG3 . . 5.180 3.278 2.385 4.433 . 0 0 "[ . 1 . ]" 1
517 1 23 GLN H 1 24 SER H . . 3.690 2.842 2.636 3.094 . 0 0 "[ . 1 . ]" 1
518 1 23 GLN H 1 27 VAL QG . . 5.500 4.774 3.981 5.371 . 0 0 "[ . 1 . ]" 1
519 1 23 GLN HA 1 23 GLN HE21 . . 5.500 4.312 1.979 5.410 . 0 0 "[ . 1 . ]" 1
520 1 23 GLN HA 1 23 GLN HG3 . . 3.140 3.100 1.997 3.789 0.649 13 3 "[ -. * 1 + . ]" 1
521 1 23 GLN HA 1 25 HIS H . . 4.940 3.957 3.412 4.430 . 0 0 "[ . 1 . ]" 1
522 1 23 GLN HA 1 26 GLY H . . 3.890 3.006 2.433 3.895 0.005 5 0 "[ . 1 . ]" 1
523 1 23 GLN HA 1 27 VAL H . . 4.390 3.202 2.606 4.466 0.076 9 0 "[ . 1 . ]" 1
524 1 23 GLN HA 1 27 VAL QG . . 4.380 4.328 3.590 4.514 0.134 15 0 "[ . 1 . ]" 1
525 1 24 SER H 1 25 HIS H . . 3.830 2.852 2.647 3.219 . 0 0 "[ . 1 . ]" 1
526 1 24 SER HA 1 26 GLY H . . 4.700 4.135 3.633 4.693 . 0 0 "[ . 1 . ]" 1
527 1 25 HIS H 1 25 HIS HB3 . . 3.940 3.433 1.977 3.767 . 0 0 "[ . 1 . ]" 1
528 1 25 HIS H 1 25 HIS HD2 . . 3.480 2.928 2.150 3.544 0.064 18 0 "[ . 1 . ]" 1
529 1 25 HIS H 1 26 GLY H . . 3.500 2.314 1.997 2.716 . 0 0 "[ . 1 . ]" 1
530 1 25 HIS H 1 27 VAL HB . . 5.500 5.317 4.562 5.601 0.101 10 0 "[ . 1 . ]" 1
531 1 25 HIS H 1 27 VAL QG . . 5.320 3.466 2.746 4.037 . 0 0 "[ . 1 . ]" 1
532 1 25 HIS HA 1 27 VAL H . . 5.010 4.840 4.320 5.092 0.082 10 0 "[ . 1 . ]" 1
533 1 25 HIS HB3 1 26 GLY H . . 4.590 4.125 2.972 4.413 . 0 0 "[ . 1 . ]" 1
534 1 25 HIS HB3 1 27 VAL QG . . 3.930 2.877 2.308 3.475 . 0 0 "[ . 1 . ]" 1
535 1 25 HIS HB3 1 60 TRP HD1 . . 4.000 3.368 2.656 3.776 . 0 0 "[ . 1 . ]" 1
536 1 25 HIS HB3 1 60 TRP HE1 . . 5.140 4.953 3.749 5.219 0.079 3 0 "[ . 1 . ]" 1
537 1 25 HIS HB3 1 63 ALA MB . . 5.270 3.857 2.810 5.503 0.233 15 0 "[ . 1 . ]" 1
538 1 25 HIS HD2 1 27 VAL QG . . 4.000 3.572 1.972 4.124 0.124 1 0 "[ . 1 . ]" 1
539 1 26 GLY H 1 27 VAL H . . 3.560 2.289 1.861 2.590 . 0 0 "[ . 1 . ]" 1
540 1 26 GLY H 1 27 VAL HB . . 5.300 5.049 4.230 5.382 0.082 13 0 "[ . 1 . ]" 1
541 1 26 GLY H 1 27 VAL QG . . 4.900 3.378 2.839 3.692 . 0 0 "[ . 1 . ]" 1
542 1 26 GLY HA3 1 27 VAL QG . . 5.190 3.924 3.399 4.531 . 0 0 "[ . 1 . ]" 1
543 1 27 VAL H 1 27 VAL HB . . 3.600 3.016 2.430 3.642 0.042 7 0 "[ . 1 . ]" 1
544 1 27 VAL H 1 27 VAL QG . . 3.510 2.113 1.792 2.587 . 0 0 "[ . 1 . ]" 1
545 1 27 VAL H 1 28 GLN H . . 4.730 4.486 4.140 4.660 . 0 0 "[ . 1 . ]" 1
546 1 27 VAL HA 1 27 VAL QG . . 3.340 2.136 2.058 2.208 . 0 0 "[ . 1 . ]" 1
547 1 27 VAL HA 1 28 GLN H . . 2.840 2.289 2.035 2.539 . 0 0 "[ . 1 . ]" 1
548 1 27 VAL HB 1 51 PHE QE . . 3.970 3.445 2.218 4.079 0.109 15 0 "[ . 1 . ]" 1
549 1 27 VAL HB 1 56 ASP HB3 . . 5.120 4.758 3.916 5.195 0.075 14 0 "[ . 1 . ]" 1
550 1 27 VAL QG 1 28 GLN H . . 3.910 2.454 1.750 3.571 . 0 0 "[ . 1 . ]" 1
551 1 27 VAL QG 1 28 GLN QE . . 5.500 3.680 2.278 5.140 . 0 0 "[ . 1 . ]" 1
552 1 27 VAL QG 1 29 ALA H . . 5.360 3.536 1.874 5.273 . 0 0 "[ . 1 . ]" 1
553 1 27 VAL QG 1 29 ALA HA . . 4.930 4.141 3.040 5.075 0.145 7 0 "[ . 1 . ]" 1
554 1 27 VAL QG 1 51 PHE QD . . 3.910 2.812 2.096 3.616 . 0 0 "[ . 1 . ]" 1
555 1 27 VAL QG 1 51 PHE QE . . 3.280 2.196 1.892 2.673 . 0 0 "[ . 1 . ]" 1
556 1 27 VAL QG 1 51 PHE HZ . . 4.100 3.217 2.378 3.880 . 0 0 "[ . 1 . ]" 1
557 1 27 VAL QG 1 55 GLN HE21 . . 5.500 4.800 4.218 5.289 . 0 0 "[ . 1 . ]" 1
558 1 27 VAL QG 1 55 GLN HE22 . . 5.500 4.939 3.877 5.613 0.113 19 0 "[ . 1 . ]" 1
559 1 27 VAL QG 1 56 ASP H . . 5.460 4.850 4.546 5.404 . 0 0 "[ . 1 . ]" 1
560 1 27 VAL QG 1 56 ASP HA . . 4.390 3.379 2.783 3.946 . 0 0 "[ . 1 . ]" 1
561 1 27 VAL QG 1 56 ASP HB3 . . 4.340 2.233 1.988 2.991 . 0 0 "[ . 1 . ]" 1
562 1 27 VAL QG 1 57 ALA H . . 5.500 4.806 4.282 5.365 . 0 0 "[ . 1 . ]" 1
563 1 27 VAL QG 1 59 ARG H . . 5.500 4.750 4.212 5.296 . 0 0 "[ . 1 . ]" 1
564 1 27 VAL QG 1 59 ARG HA . . 5.500 5.222 4.448 5.612 0.112 15 0 "[ . 1 . ]" 1
565 1 27 VAL QG 1 60 TRP H . . 4.730 3.537 2.761 4.262 . 0 0 "[ . 1 . ]" 1
566 1 27 VAL QG 1 60 TRP HA . . 4.690 3.385 2.568 3.993 . 0 0 "[ . 1 . ]" 1
567 1 27 VAL QG 1 60 TRP HB3 . . 4.050 3.839 3.333 4.333 0.283 8 0 "[ . 1 . ]" 1
568 1 27 VAL QG 1 60 TRP HD1 . . 3.400 2.973 2.449 3.535 0.135 7 0 "[ . 1 . ]" 1
569 1 27 VAL QG 1 60 TRP HE1 . . 4.930 4.101 3.434 4.848 . 0 0 "[ . 1 . ]" 1
570 1 28 GLN H 1 28 GLN QE . . 5.500 3.121 1.931 4.446 . 0 0 "[ . 1 . ]" 1
571 1 28 GLN H 1 51 PHE QE . . 5.340 4.959 3.639 5.426 0.086 8 0 "[ . 1 . ]" 1
572 1 28 GLN QE 1 52 SER HB3 . . 5.500 4.105 2.647 5.303 . 0 0 "[ . 1 . ]" 1
573 1 28 GLN QE 1 53 HIS HD2 . . 3.440 3.013 2.178 3.430 . 0 0 "[ . 1 . ]" 1
574 1 29 ALA H 1 29 ALA HA . . 2.680 2.417 2.119 2.790 0.110 12 0 "[ . 1 . ]" 1
575 1 29 ALA H 1 29 ALA MB . . 3.250 2.661 2.144 3.173 . 0 0 "[ . 1 . ]" 1
576 1 29 ALA H 1 30 ARG H . . 5.300 3.886 3.307 4.481 . 0 0 "[ . 1 . ]" 1
577 1 29 ALA H 1 49 VAL QG . . 5.500 4.466 3.816 5.188 . 0 0 "[ . 1 . ]" 1
578 1 29 ALA H 1 51 PHE QD . . 5.500 4.698 3.416 5.588 0.088 18 0 "[ . 1 . ]" 1
579 1 29 ALA H 1 51 PHE QE . . 5.500 4.541 3.570 5.446 . 0 0 "[ . 1 . ]" 1
580 1 29 ALA MB 1 30 ARG H . . 3.790 3.276 2.317 3.612 . 0 0 "[ . 1 . ]" 1
581 1 29 ALA MB 1 30 ARG HA . . 5.010 4.364 3.862 4.602 . 0 0 "[ . 1 . ]" 1
582 1 29 ALA MB 1 31 GLU H . . 3.690 3.473 2.770 3.786 0.096 3 0 "[ . 1 . ]" 1
583 1 29 ALA MB 1 31 GLU HA . . 5.100 4.564 3.791 5.052 . 0 0 "[ . 1 . ]" 1
584 1 29 ALA MB 1 32 VAL H . . 5.500 4.968 4.428 5.549 0.049 3 0 "[ . 1 . ]" 1
585 1 29 ALA MB 1 32 VAL HA . . 5.500 4.468 3.992 5.130 . 0 0 "[ . 1 . ]" 1
586 1 29 ALA MB 1 32 VAL HB . . 4.850 3.898 2.422 4.940 0.090 15 0 "[ . 1 . ]" 1
587 1 29 ALA MB 1 32 VAL QG . . 3.260 2.223 1.924 2.908 . 0 0 "[ . 1 . ]" 1
588 1 29 ALA MB 1 49 VAL HA . . 5.290 4.218 3.698 4.725 . 0 0 "[ . 1 . ]" 1
589 1 29 ALA MB 1 49 VAL HB . . 5.280 4.517 3.842 5.079 . 0 0 "[ . 1 . ]" 1
590 1 29 ALA MB 1 49 VAL QG . . 3.120 2.139 1.871 2.502 . 0 0 "[ . 1 . ]" 1
591 1 29 ALA MB 1 50 GLU H . . 4.710 4.099 3.535 4.768 0.058 18 0 "[ . 1 . ]" 1
592 1 29 ALA MB 1 51 PHE HA . . 5.200 4.801 3.920 5.259 0.059 7 0 "[ . 1 . ]" 1
593 1 29 ALA MB 1 51 PHE QE . . 4.470 3.765 2.875 4.589 0.119 4 0 "[ . 1 . ]" 1
594 1 29 ALA MB 1 51 PHE HZ . . 5.180 4.809 3.925 5.299 0.119 7 0 "[ . 1 . ]" 1
595 1 30 ARG H 1 30 ARG HB3 . . 3.350 2.667 2.392 3.199 . 0 0 "[ . 1 . ]" 1
596 1 30 ARG H 1 30 ARG HD3 . . 5.160 4.771 4.214 5.174 0.014 12 0 "[ . 1 . ]" 1
597 1 30 ARG H 1 31 GLU H . . 2.990 2.463 1.906 2.831 . 0 0 "[ . 1 . ]" 1
598 1 30 ARG H 1 31 GLU HA . . 5.300 5.021 4.528 5.364 0.064 10 0 "[ . 1 . ]" 1
599 1 30 ARG H 1 49 VAL QG . . 5.500 3.935 3.165 4.946 . 0 0 "[ . 1 . ]" 1
600 1 30 ARG H 1 51 PHE HA . . 3.440 2.724 2.334 3.220 . 0 0 "[ . 1 . ]" 1
601 1 30 ARG H 1 51 PHE QD . . 5.070 3.938 3.267 4.585 . 0 0 "[ . 1 . ]" 1
602 1 30 ARG H 1 52 SER H . . 4.580 3.887 3.216 4.625 0.045 12 0 "[ . 1 . ]" 1
603 1 30 ARG HB3 1 30 ARG HD3 . . 3.200 2.637 2.217 3.839 0.639 12 1 "[ . 1 + . ]" 1
604 1 30 ARG HB3 1 31 GLU H . . 3.430 2.859 2.410 3.126 . 0 0 "[ . 1 . ]" 1
605 1 30 ARG HB3 1 51 PHE HA . . 4.520 3.503 2.956 4.141 . 0 0 "[ . 1 . ]" 1
606 1 30 ARG HB3 1 52 SER H . . 4.960 3.694 2.271 4.957 . 0 0 "[ . 1 . ]" 1
607 1 30 ARG HB3 1 52 SER HA . . 5.180 4.133 3.687 4.830 . 0 0 "[ . 1 . ]" 1
608 1 30 ARG HD3 1 31 GLU H . . 5.370 4.286 3.227 6.076 0.706 12 1 "[ . 1 + . ]" 1
609 1 30 ARG HG3 1 52 SER HB3 . . 5.340 4.554 2.692 6.272 0.932 6 2 "[ .+ 1 - . ]" 1
610 1 31 GLU H 1 31 GLU HG3 . . 4.620 4.618 4.157 4.787 0.167 16 0 "[ . 1 . ]" 1
611 1 31 GLU H 1 32 VAL H . . 4.520 4.355 4.234 4.470 . 0 0 "[ . 1 . ]" 1
612 1 31 GLU H 1 32 VAL HA . . 5.130 4.748 4.529 4.970 . 0 0 "[ . 1 . ]" 1
613 1 31 GLU H 1 32 VAL QG . . 4.920 3.732 3.204 4.135 . 0 0 "[ . 1 . ]" 1
614 1 31 GLU H 1 49 VAL HA . . 4.970 4.779 4.427 5.052 0.082 4 0 "[ . 1 . ]" 1
615 1 31 GLU H 1 49 VAL QG . . 5.500 3.807 3.380 4.801 . 0 0 "[ . 1 . ]" 1
616 1 31 GLU H 1 50 GLU H . . 3.870 3.004 2.585 3.374 . 0 0 "[ . 1 . ]" 1
617 1 31 GLU H 1 51 PHE HA . . 4.930 4.177 3.661 4.648 . 0 0 "[ . 1 . ]" 1
618 1 31 GLU HA 1 31 GLU HB3 . . 2.990 2.960 2.676 3.046 0.056 15 0 "[ . 1 . ]" 1
619 1 31 GLU HA 1 31 GLU HG3 . . 3.520 2.499 2.114 3.591 0.071 1 0 "[ . 1 . ]" 1
620 1 31 GLU HA 1 32 VAL H . . 2.690 2.390 2.232 2.556 . 0 0 "[ . 1 . ]" 1
621 1 31 GLU HA 1 32 VAL QG . . 4.730 3.303 2.958 3.716 . 0 0 "[ . 1 . ]" 1
622 1 31 GLU HB3 1 32 VAL H . . 3.510 3.453 3.022 4.141 0.631 1 1 "[+ . 1 . ]" 1
623 1 31 GLU HG3 1 32 VAL H . . 3.870 2.557 2.077 3.314 . 0 0 "[ . 1 . ]" 1
624 1 31 GLU HG3 1 32 VAL HA . . 4.940 4.775 3.795 5.690 0.750 7 2 "[ . + 1 .- ]" 1
625 1 32 VAL H 1 32 VAL QG . . 3.610 2.764 2.377 3.049 . 0 0 "[ . 1 . ]" 1
626 1 32 VAL H 1 33 ARG H . . 4.840 4.144 3.565 4.501 . 0 0 "[ . 1 . ]" 1
627 1 32 VAL H 1 33 ARG HA . . 5.170 4.778 4.365 5.067 . 0 0 "[ . 1 . ]" 1
628 1 32 VAL H 1 50 GLU H . . 5.500 4.677 4.476 4.991 . 0 0 "[ . 1 . ]" 1
629 1 32 VAL HA 1 32 VAL QG . . 3.150 2.318 2.113 2.506 . 0 0 "[ . 1 . ]" 1
630 1 32 VAL HA 1 33 ARG H . . 2.910 2.234 2.051 2.362 . 0 0 "[ . 1 . ]" 1
631 1 32 VAL HA 1 49 VAL H . . 5.050 4.840 4.487 5.123 0.073 5 0 "[ . 1 . ]" 1
632 1 32 VAL HB 1 49 VAL QG . . 4.950 3.346 1.989 4.655 . 0 0 "[ . 1 . ]" 1
633 1 32 VAL QG 1 33 ARG H . . 3.760 2.613 1.920 3.472 . 0 0 "[ . 1 . ]" 1
634 1 32 VAL QG 1 33 ARG HA . . 4.440 3.748 3.317 4.368 . 0 0 "[ . 1 . ]" 1
635 1 32 VAL QG 1 34 LEU H . . 4.500 2.973 2.492 3.425 . 0 0 "[ . 1 . ]" 1
636 1 32 VAL QG 1 49 VAL HA . . 4.240 2.869 2.412 3.415 . 0 0 "[ . 1 . ]" 1
637 1 32 VAL QG 1 49 VAL QG . . 3.450 2.145 1.911 2.855 . 0 0 "[ . 1 . ]" 1
638 1 32 VAL QG 1 50 GLU H . . 4.270 3.792 3.236 4.137 . 0 0 "[ . 1 . ]" 1
639 1 33 ARG H 1 47 ALA HA . . 5.500 4.913 4.347 5.530 0.030 2 0 "[ . 1 . ]" 1
640 1 33 ARG H 1 47 ALA MB . . 5.500 3.739 2.785 4.735 . 0 0 "[ . 1 . ]" 1
641 1 33 ARG H 1 48 PHE HB3 . . 5.500 4.595 3.969 5.011 . 0 0 "[ . 1 . ]" 1
642 1 33 ARG H 1 49 VAL QG . . 5.500 4.094 3.196 4.792 . 0 0 "[ . 1 . ]" 1
643 1 33 ARG HA 1 34 LEU H . . 2.910 2.374 2.218 2.468 . 0 0 "[ . 1 . ]" 1
644 1 33 ARG HA 1 34 LEU HB3 . . 4.860 4.932 4.328 5.254 0.394 12 0 "[ . 1 . ]" 1
645 1 33 ARG HA 1 42 GLN HB3 . . 3.740 3.774 3.350 3.828 0.088 18 0 "[ . 1 . ]" 1
646 1 33 ARG HA 1 42 GLN HE21 . . 4.130 3.226 2.483 4.210 0.080 7 0 "[ . 1 . ]" 1
647 1 33 ARG HA 1 42 GLN HE22 . . 4.220 3.341 2.269 4.301 0.081 1 0 "[ . 1 . ]" 1
648 1 34 LEU H 1 34 LEU HB3 . . 3.520 2.612 2.128 2.907 . 0 0 "[ . 1 . ]" 1
649 1 34 LEU H 1 34 LEU HG . . 4.770 4.542 2.976 4.857 0.087 1 0 "[ . 1 . ]" 1
650 1 34 LEU HA 1 34 LEU HG . . 4.020 3.437 2.355 4.113 0.093 8 0 "[ . 1 . ]" 1
651 1 34 LEU HA 1 35 MET H . . 3.100 2.665 2.208 3.068 . 0 0 "[ . 1 . ]" 1
652 1 34 LEU HA 1 47 ALA H . . 5.500 5.439 4.379 5.590 0.090 4 0 "[ . 1 . ]" 1
653 1 34 LEU HA 1 47 ALA HA . . 3.300 3.142 2.371 3.381 0.081 8 0 "[ . 1 . ]" 1
654 1 34 LEU HA 1 47 ALA MB . . 3.380 2.586 1.953 3.446 0.066 17 0 "[ . 1 . ]" 1
655 1 34 LEU HA 1 48 PHE H . . 4.500 4.127 3.520 4.553 0.053 10 0 "[ . 1 . ]" 1
656 1 34 LEU HB3 1 35 MET H . . 4.830 3.201 2.180 4.545 . 0 0 "[ . 1 . ]" 1
657 1 34 LEU QD 1 35 MET H . . 5.500 1.793 1.500 3.306 . 0 0 "[ . 1 . ]" 1
658 1 34 LEU QD 1 35 MET HA . . 4.840 3.239 2.255 3.702 . 0 0 "[ . 1 . ]" 1
659 1 34 LEU QD 1 35 MET HB3 . . 4.150 3.495 2.106 4.290 0.140 3 0 "[ . 1 . ]" 1
660 1 34 LEU QD 1 36 ARG H . . 5.500 3.808 1.962 4.800 . 0 0 "[ . 1 . ]" 1
661 1 34 LEU QD 1 36 ARG HD3 . . 4.880 4.388 2.444 5.992 1.112 10 4 "[ * . - + .* ]" 1
662 1 35 MET H 1 35 MET HB3 . . 3.500 3.415 2.007 4.067 0.567 16 1 "[ . 1 .+ ]" 1
663 1 35 MET H 1 35 MET ME . . 5.180 4.431 3.053 5.216 0.036 3 0 "[ . 1 . ]" 1
664 1 35 MET H 1 35 MET HG3 . . 3.850 2.914 1.965 4.160 0.310 14 0 "[ . 1 . ]" 1
665 1 35 MET HA 1 35 MET HG3 . . 4.130 3.123 2.326 3.837 . 0 0 "[ . 1 . ]" 1
666 1 35 MET HA 1 43 SER HB3 . . 5.210 3.201 1.829 4.953 . 0 0 "[ . 1 . ]" 1
667 1 35 MET HB3 1 35 MET ME . . 3.280 2.647 1.996 3.390 0.110 4 0 "[ . 1 . ]" 1
668 1 35 MET HG3 1 36 ARG H . . 5.380 4.244 1.755 5.166 . 0 0 "[ . 1 . ]" 1
669 1 36 ARG H 1 36 ARG HD3 . . 4.570 4.429 1.809 5.616 1.046 9 5 "[ .* -+1 . **]" 1
670 1 36 ARG H 1 36 ARG HG3 . . 4.480 3.731 2.177 4.560 0.080 15 0 "[ . 1 . ]" 1
671 1 36 ARG H 1 37 ASN H . . 5.010 3.405 2.053 4.448 . 0 0 "[ . 1 . ]" 1
672 1 36 ARG HB3 1 36 ARG HD3 . . 3.850 3.468 2.588 3.810 . 0 0 "[ . 1 . ]" 1
673 1 36 ARG HB3 1 37 ASN H . . 4.340 3.565 2.858 4.397 0.057 18 0 "[ . 1 . ]" 1
674 1 36 ARG HB3 1 37 ASN HA . . 5.310 4.605 4.056 5.402 0.092 3 0 "[ . 1 . ]" 1
675 1 36 ARG HG3 1 37 ASN H . . 5.090 4.519 1.790 5.193 0.103 8 0 "[ . 1 . ]" 1
676 1 37 ASN H 1 37 ASN HB3 . . 3.280 3.079 2.512 3.418 0.138 17 0 "[ . 1 . ]" 1
677 1 37 ASN H 1 37 ASN QD . . 5.480 4.811 4.226 5.245 . 0 0 "[ . 1 . ]" 1
678 1 37 ASN H 1 38 LYS H . . 4.200 3.120 1.711 4.292 0.092 5 0 "[ . 1 . ]" 1
679 1 37 ASN H 1 41 GLY H . . 5.500 5.015 3.674 5.580 0.080 18 0 "[ . 1 . ]" 1
680 1 37 ASN H 1 42 GLN H . . 4.860 4.599 3.388 4.937 0.077 7 0 "[ . 1 . ]" 1
681 1 37 ASN HA 1 38 LYS H . . 3.430 2.876 2.029 3.508 0.078 9 0 "[ . 1 . ]" 1
682 1 37 ASN HA 1 39 SER H . . 4.470 3.818 3.367 4.343 . 0 0 "[ . 1 . ]" 1
683 1 37 ASN HB3 1 38 LYS H . . 4.860 3.446 2.260 4.473 . 0 0 "[ . 1 . ]" 1
684 1 37 ASN HB3 1 38 LYS HA . . 5.370 4.512 3.810 5.268 . 0 0 "[ . 1 . ]" 1
685 1 37 ASN HB3 1 39 SER H . . 4.910 3.690 2.310 4.823 . 0 0 "[ . 1 . ]" 1
686 1 37 ASN HB3 1 40 SER H . . 4.590 3.198 2.350 3.882 . 0 0 "[ . 1 . ]" 1
687 1 37 ASN HB3 1 41 GLY H . . 4.400 2.982 2.173 3.855 . 0 0 "[ . 1 . ]" 1
688 1 37 ASN HB3 1 42 GLN H . . 3.730 3.014 2.385 3.574 . 0 0 "[ . 1 . ]" 1
689 1 37 ASN HB3 1 42 GLN HB3 . . 4.700 4.724 3.994 5.225 0.525 3 2 "[ + . 1- . ]" 1
690 1 37 ASN QD 1 39 SER H . . 5.500 3.848 1.963 4.961 . 0 0 "[ . 1 . ]" 1
691 1 37 ASN QD 1 40 SER H . . 3.910 3.120 1.768 3.718 . 0 0 "[ . 1 . ]" 1
692 1 37 ASN QD 1 41 GLY H . . 4.710 4.192 3.129 4.632 . 0 0 "[ . 1 . ]" 1
693 1 37 ASN QD 1 42 GLN H . . 4.790 4.418 3.977 4.734 . 0 0 "[ . 1 . ]" 1
694 1 37 ASN QD 1 42 GLN HE22 . . 5.460 3.766 2.225 6.013 0.553 8 1 "[ . + 1 . ]" 1
695 1 38 LYS H 1 39 SER H . . 4.120 3.111 1.910 3.803 . 0 0 "[ . 1 . ]" 1
696 1 38 LYS H 1 40 SER H . . 5.500 4.588 3.546 5.317 . 0 0 "[ . 1 . ]" 1
697 1 39 SER H 1 40 SER H . . 3.510 2.683 2.148 3.145 . 0 0 "[ . 1 . ]" 1
698 1 39 SER HA 1 41 GLY H . . 5.150 4.902 4.244 5.233 0.083 16 0 "[ . 1 . ]" 1
699 1 40 SER H 1 41 GLY H . . 3.160 2.365 1.753 3.024 . 0 0 "[ . 1 . ]" 1
700 1 40 SER H 1 41 GLY HA2 . . 5.380 4.570 3.838 5.139 . 0 0 "[ . 1 . ]" 1
701 1 40 SER HA 1 42 GLN H . . 5.340 4.993 4.517 5.401 0.061 16 0 "[ . 1 . ]" 1
702 1 40 SER HB3 1 42 GLN H . . 4.170 3.564 2.427 5.251 1.081 13 2 "[ . 1 + . - ]" 1
703 1 40 SER HB3 1 42 GLN HE21 . . 5.500 4.416 2.002 5.581 0.081 6 0 "[ . 1 . ]" 1
704 1 41 GLY H 1 42 GLN H . . 3.420 2.161 1.885 2.651 . 0 0 "[ . 1 . ]" 1
705 1 41 GLY H 1 42 GLN HB3 . . 5.500 5.514 5.079 5.591 0.091 13 0 "[ . 1 . ]" 1
706 1 41 GLY HA3 1 42 GLN HA . . 4.760 4.651 4.267 4.835 0.075 19 0 "[ . 1 . ]" 1
707 1 42 GLN H 1 42 GLN HB3 . . 3.550 3.503 3.019 3.655 0.105 7 0 "[ . 1 . ]" 1
708 1 42 GLN H 1 42 GLN HE21 . . 5.170 4.620 3.491 5.250 0.080 17 0 "[ . 1 . ]" 1
709 1 42 GLN H 1 43 SER H . . 5.070 3.684 2.651 4.586 . 0 0 "[ . 1 . ]" 1
710 1 42 GLN HA 1 42 GLN HE21 . . 5.310 4.849 4.337 5.378 0.068 4 0 "[ . 1 . ]" 1
711 1 42 GLN HA 1 43 SER H . . 3.050 2.759 2.101 3.135 0.085 3 0 "[ . 1 . ]" 1
712 1 42 GLN HB3 1 43 SER H . . 4.690 3.755 2.097 4.594 . 0 0 "[ . 1 . ]" 1
713 1 43 SER HA 1 44 ARG H . . 3.000 2.351 2.119 3.084 0.084 17 0 "[ . 1 . ]" 1
714 1 43 SER HA 1 45 GLY H . . 4.440 3.586 3.054 4.460 0.020 10 0 "[ . 1 . ]" 1
715 1 43 SER HB3 1 44 ARG H . . 4.650 4.183 1.849 4.559 . 0 0 "[ . 1 . ]" 1
716 1 44 ARG H 1 44 ARG HB3 . . 4.180 3.753 3.463 4.116 . 0 0 "[ . 1 . ]" 1
717 1 44 ARG H 1 44 ARG HD3 . . 5.380 4.999 4.236 5.575 0.195 13 0 "[ . 1 . ]" 1
718 1 44 ARG H 1 46 PHE H . . 5.400 3.022 2.175 4.234 . 0 0 "[ . 1 . ]" 1
719 1 44 ARG HA 1 44 ARG HD3 . . 4.820 3.489 2.132 4.569 . 0 0 "[ . 1 . ]" 1
720 1 44 ARG HA 1 44 ARG HG3 . . 3.520 2.899 2.059 3.823 0.303 12 0 "[ . 1 . ]" 1
721 1 44 ARG HB3 1 45 GLY H . . 5.000 4.054 2.721 4.493 . 0 0 "[ . 1 . ]" 1
722 1 44 ARG HB3 1 46 PHE QD . . 4.350 3.710 3.255 4.512 0.162 17 0 "[ . 1 . ]" 1
723 1 44 ARG HB3 1 46 PHE QE . . 3.230 2.985 2.332 3.513 0.283 14 0 "[ . 1 . ]" 1
724 1 44 ARG HD3 1 46 PHE QE . . 5.330 3.954 2.272 5.384 0.054 6 0 "[ . 1 . ]" 1
725 1 44 ARG HG3 1 46 PHE QE . . 4.420 4.229 2.642 5.019 0.599 7 3 "[ . +*-1 . ]" 1
726 1 45 GLY H 1 46 PHE H . . 3.870 2.200 1.779 2.537 . 0 0 "[ . 1 . ]" 1
727 1 45 GLY H 1 46 PHE QD . . 5.500 4.728 2.787 5.449 . 0 0 "[ . 1 . ]" 1
728 1 45 GLY HA2 1 46 PHE HA . . 5.340 4.292 4.164 4.399 . 0 0 "[ . 1 . ]" 1
729 1 46 PHE H 1 46 PHE QD . . 5.160 3.316 2.679 3.598 . 0 0 "[ . 1 . ]" 1
730 1 46 PHE H 1 47 ALA H . . 4.900 4.275 4.208 4.404 . 0 0 "[ . 1 . ]" 1
731 1 46 PHE H 1 47 ALA MB . . 5.500 4.839 4.236 5.290 . 0 0 "[ . 1 . ]" 1
732 1 46 PHE HA 1 46 PHE QD . . 3.870 3.786 3.738 3.818 . 0 0 "[ . 1 . ]" 1
733 1 46 PHE HA 1 47 ALA H . . 3.010 2.425 2.103 2.648 . 0 0 "[ . 1 . ]" 1
734 1 46 PHE HA 1 47 ALA MB . . 4.290 3.910 3.394 4.169 . 0 0 "[ . 1 . ]" 1
735 1 46 PHE HB3 1 47 ALA H . . 3.570 3.647 3.460 3.841 0.271 17 0 "[ . 1 . ]" 1
736 1 46 PHE QD 1 47 ALA H . . 4.130 3.551 3.007 4.089 . 0 0 "[ . 1 . ]" 1
737 1 46 PHE QD 1 47 ALA HA . . 5.010 3.574 2.807 4.544 . 0 0 "[ . 1 . ]" 1
738 1 46 PHE QD 1 47 ALA MB . . 5.500 4.586 4.149 4.977 . 0 0 "[ . 1 . ]" 1
739 1 47 ALA H 1 48 PHE H . . 4.990 4.367 4.261 4.535 . 0 0 "[ . 1 . ]" 1
740 1 47 ALA HA 1 48 PHE H . . 3.020 2.433 2.154 2.565 . 0 0 "[ . 1 . ]" 1
741 1 47 ALA HA 1 48 PHE QD . . 4.930 3.754 2.762 4.875 . 0 0 "[ . 1 . ]" 1
742 1 47 ALA MB 1 48 PHE H . . 3.330 2.402 2.192 2.663 . 0 0 "[ . 1 . ]" 1
743 1 47 ALA MB 1 48 PHE HB3 . . 5.500 5.345 5.012 5.645 0.145 14 0 "[ . 1 . ]" 1
744 1 48 PHE H 1 48 PHE HB3 . . 3.600 3.687 3.395 3.921 0.321 2 0 "[ . 1 . ]" 1
745 1 48 PHE H 1 48 PHE QD . . 3.730 3.297 2.624 3.809 0.079 17 0 "[ . 1 . ]" 1
746 1 48 PHE H 1 49 VAL H . . 4.850 4.039 2.944 4.551 . 0 0 "[ . 1 . ]" 1
747 1 48 PHE H 1 49 VAL QG . . 5.200 4.384 3.327 5.010 . 0 0 "[ . 1 . ]" 1
748 1 48 PHE HA 1 48 PHE QD . . 3.880 2.977 2.410 3.234 . 0 0 "[ . 1 . ]" 1
749 1 48 PHE HA 1 49 VAL H . . 2.970 2.301 2.156 2.608 . 0 0 "[ . 1 . ]" 1
750 1 48 PHE HA 1 49 VAL HB . . 4.970 4.726 4.325 5.027 0.057 1 0 "[ . 1 . ]" 1
751 1 48 PHE HA 1 49 VAL QG . . 4.170 3.844 3.197 4.128 . 0 0 "[ . 1 . ]" 1
752 1 48 PHE HB3 1 49 VAL H . . 4.500 3.607 2.740 4.324 . 0 0 "[ . 1 . ]" 1
753 1 48 PHE QD 1 49 VAL H . . 4.890 4.500 3.618 4.942 0.052 2 0 "[ . 1 . ]" 1
754 1 49 VAL H 1 49 VAL HB . . 3.500 2.702 2.319 3.196 . 0 0 "[ . 1 . ]" 1
755 1 49 VAL H 1 49 VAL QG . . 3.620 2.431 1.999 2.969 . 0 0 "[ . 1 . ]" 1
756 1 49 VAL H 1 50 GLU H . . 5.130 4.461 4.100 4.832 . 0 0 "[ . 1 . ]" 1
757 1 49 VAL H 1 60 TRP HZ3 . . 5.010 4.743 4.200 5.085 0.075 4 0 "[ . 1 . ]" 1
758 1 49 VAL HA 1 49 VAL QG . . 3.200 2.213 2.128 2.402 . 0 0 "[ . 1 . ]" 1
759 1 49 VAL HA 1 50 GLU H . . 2.890 2.301 2.197 2.442 . 0 0 "[ . 1 . ]" 1
760 1 49 VAL HB 1 50 GLU H . . 5.340 4.307 4.115 4.587 . 0 0 "[ . 1 . ]" 1
761 1 49 VAL HB 1 51 PHE QD . . 5.180 4.953 4.239 5.275 0.095 15 0 "[ . 1 . ]" 1
762 1 49 VAL HB 1 51 PHE QE . . 3.960 3.720 2.823 4.038 0.078 11 0 "[ . 1 . ]" 1
763 1 49 VAL HB 1 60 TRP HH2 . . 4.410 4.291 3.721 4.484 0.074 3 0 "[ . 1 . ]" 1
764 1 49 VAL HB 1 60 TRP HZ3 . . 3.780 3.319 2.530 3.874 0.094 8 0 "[ . 1 . ]" 1
765 1 49 VAL QG 1 50 GLU H . . 3.680 2.684 2.285 3.137 . 0 0 "[ . 1 . ]" 1
766 1 49 VAL QG 1 51 PHE H . . 5.500 4.365 3.882 5.242 . 0 0 "[ . 1 . ]" 1
767 1 49 VAL QG 1 51 PHE QD . . 4.040 2.962 2.232 4.078 0.038 4 0 "[ . 1 . ]" 1
768 1 49 VAL QG 1 51 PHE QE . . 3.420 2.326 1.827 3.193 . 0 0 "[ . 1 . ]" 1
769 1 49 VAL QG 1 51 PHE HZ . . 3.890 3.045 2.451 3.810 . 0 0 "[ . 1 . ]" 1
770 1 49 VAL QG 1 60 TRP HE3 . . 5.230 3.556 3.064 4.239 . 0 0 "[ . 1 . ]" 1
771 1 49 VAL QG 1 60 TRP HH2 . . 4.370 2.882 2.195 3.448 . 0 0 "[ . 1 . ]" 1
772 1 49 VAL QG 1 60 TRP HZ3 . . 3.280 2.370 1.944 3.052 . 0 0 "[ . 1 . ]" 1
773 1 50 GLU H 1 50 GLU HB3 . . 3.230 3.132 2.559 3.803 0.573 4 2 "[ +. 1 . -]" 1
774 1 50 GLU H 1 50 GLU HG3 . . 4.360 4.129 2.794 4.487 0.127 11 0 "[ . 1 . ]" 1
775 1 50 GLU H 1 51 PHE H . . 5.200 4.376 4.243 4.545 . 0 0 "[ . 1 . ]" 1
776 1 50 GLU HA 1 50 GLU HG3 . . 4.070 2.867 2.477 3.797 . 0 0 "[ . 1 . ]" 1
777 1 50 GLU HA 1 51 PHE H . . 3.040 2.219 2.089 2.352 . 0 0 "[ . 1 . ]" 1
778 1 50 GLU HB3 1 51 PHE H . . 3.870 3.583 2.462 3.953 0.083 18 0 "[ . 1 . ]" 1
779 1 50 GLU HG3 1 51 PHE H . . 4.430 4.280 3.431 5.297 0.867 4 1 "[ +. 1 . ]" 1
780 1 51 PHE H 1 51 PHE HB3 . . 3.470 3.604 3.470 3.818 0.348 19 0 "[ . 1 . ]" 1
781 1 51 PHE H 1 51 PHE QD . . 3.100 2.924 2.392 3.183 0.083 5 0 "[ . 1 . ]" 1
782 1 51 PHE H 1 51 PHE QE . . 5.190 5.002 4.485 5.263 0.073 2 0 "[ . 1 . ]" 1
783 1 51 PHE H 1 52 SER H . . 5.020 4.478 3.958 4.665 . 0 0 "[ . 1 . ]" 1
784 1 51 PHE H 1 53 HIS H . . 5.200 5.057 4.799 5.274 0.074 15 0 "[ . 1 . ]" 1
785 1 51 PHE H 1 57 ALA MB . . 4.820 4.443 3.947 4.888 0.068 5 0 "[ . 1 . ]" 1
786 1 51 PHE HA 1 51 PHE QD . . 3.340 2.731 2.131 3.286 . 0 0 "[ . 1 . ]" 1
787 1 51 PHE HA 1 52 SER H . . 3.380 2.358 2.226 2.719 . 0 0 "[ . 1 . ]" 1
788 1 51 PHE HA 1 53 HIS H . . 4.980 3.967 3.449 4.456 . 0 0 "[ . 1 . ]" 1
789 1 51 PHE HB3 1 52 SER H . . 4.450 2.819 1.968 3.908 . 0 0 "[ . 1 . ]" 1
790 1 51 PHE HB3 1 53 HIS H . . 4.420 2.504 2.199 3.362 . 0 0 "[ . 1 . ]" 1
791 1 51 PHE HB3 1 57 ALA H . . 4.770 4.157 3.255 4.483 . 0 0 "[ . 1 . ]" 1
792 1 51 PHE HB3 1 57 ALA MB . . 3.680 3.988 3.360 4.470 0.790 5 10 "[* +** * **-.* * ]" 1
793 1 51 PHE QD 1 52 SER H . . 4.850 4.059 3.254 4.579 . 0 0 "[ . 1 . ]" 1
794 1 51 PHE QD 1 53 HIS H . . 4.970 4.216 3.660 4.936 . 0 0 "[ . 1 . ]" 1
795 1 51 PHE QD 1 56 ASP H . . 5.500 4.517 3.738 5.321 . 0 0 "[ . 1 . ]" 1
796 1 51 PHE QD 1 56 ASP HB3 . . 3.820 2.552 2.131 3.502 . 0 0 "[ . 1 . ]" 1
797 1 51 PHE QD 1 57 ALA H . . 5.500 3.491 2.706 4.358 . 0 0 "[ . 1 . ]" 1
798 1 51 PHE QD 1 57 ALA HA . . 4.000 2.820 2.442 3.335 . 0 0 "[ . 1 . ]" 1
799 1 51 PHE QD 1 57 ALA MB . . 3.040 2.755 2.204 3.134 0.094 15 0 "[ . 1 . ]" 1
800 1 51 PHE QE 1 57 ALA HA . . 3.600 2.726 2.130 3.399 . 0 0 "[ . 1 . ]" 1
801 1 51 PHE QE 1 57 ALA MB . . 5.260 3.724 3.138 4.117 . 0 0 "[ . 1 . ]" 1
802 1 51 PHE QE 1 60 TRP H . . 5.050 4.179 3.238 5.014 . 0 0 "[ . 1 . ]" 1
803 1 51 PHE QE 1 60 TRP HA . . 5.500 5.249 4.684 5.598 0.098 12 0 "[ . 1 . ]" 1
804 1 51 PHE QE 1 60 TRP HB3 . . 4.740 3.492 2.805 3.999 . 0 0 "[ . 1 . ]" 1
805 1 51 PHE HZ 1 57 ALA HA . . 5.100 4.045 3.307 4.474 . 0 0 "[ . 1 . ]" 1
806 1 51 PHE HZ 1 60 TRP H . . 5.500 5.073 4.678 5.573 0.073 3 0 "[ . 1 . ]" 1
807 1 51 PHE HZ 1 60 TRP HB3 . . 4.690 3.366 2.972 3.909 . 0 0 "[ . 1 . ]" 1
808 1 51 PHE HZ 1 60 TRP HE3 . . 3.520 2.577 2.174 3.256 . 0 0 "[ . 1 . ]" 1
809 1 52 SER H 1 52 SER HB3 . . 3.730 3.183 2.469 3.606 . 0 0 "[ . 1 . ]" 1
810 1 52 SER H 1 53 HIS H . . 3.590 2.510 2.029 2.934 . 0 0 "[ . 1 . ]" 1
811 1 52 SER HB3 1 53 HIS H . . 3.980 3.564 2.778 4.246 0.266 10 0 "[ . 1 . ]" 1
812 1 52 SER HB3 1 53 HIS HD2 . . 3.760 3.281 2.424 4.483 0.723 10 1 "[ . + . ]" 1
813 1 53 HIS H 1 53 HIS HB3 . . 3.930 3.789 3.553 3.951 0.021 6 0 "[ . 1 . ]" 1
814 1 53 HIS H 1 53 HIS HD2 . . 4.720 3.212 2.353 3.973 . 0 0 "[ . 1 . ]" 1
815 1 53 HIS H 1 57 ALA H . . 5.500 5.112 4.761 5.577 0.077 19 0 "[ . 1 . ]" 1
816 1 53 HIS HA 1 53 HIS HD2 . . 4.840 4.291 2.928 4.800 . 0 0 "[ . 1 . ]" 1
817 1 53 HIS HA 1 55 GLN H . . 5.080 3.979 3.557 4.427 . 0 0 "[ . 1 . ]" 1
818 1 53 HIS HA 1 56 ASP H . . 5.420 4.545 4.149 5.118 . 0 0 "[ . 1 . ]" 1
819 1 53 HIS HB3 1 55 GLN H . . 4.180 3.011 2.425 3.481 . 0 0 "[ . 1 . ]" 1
820 1 53 HIS HB3 1 55 GLN HE22 . . 5.500 4.724 2.398 5.575 0.075 16 0 "[ . 1 . ]" 1
821 1 53 HIS HB3 1 56 ASP H . . 3.920 3.287 2.871 3.754 . 0 0 "[ . 1 . ]" 1
822 1 55 GLN H 1 55 GLN HE21 . . 5.270 4.780 4.222 5.331 0.061 4 0 "[ . 1 . ]" 1
823 1 55 GLN H 1 56 ASP H . . 3.660 2.702 2.227 2.962 . 0 0 "[ . 1 . ]" 1
824 1 55 GLN H 1 57 ALA H . . 5.260 4.225 3.768 4.546 . 0 0 "[ . 1 . ]" 1
825 1 55 GLN H 1 58 THR H . . 5.500 5.360 5.123 5.579 0.079 13 0 "[ . 1 . ]" 1
826 1 55 GLN HA 1 55 GLN HE21 . . 5.500 4.604 3.712 5.387 . 0 0 "[ . 1 . ]" 1
827 1 55 GLN HA 1 57 ALA H . . 4.440 4.006 3.336 4.164 . 0 0 "[ . 1 . ]" 1
828 1 55 GLN HE21 1 59 ARG H . . 5.420 4.657 3.372 5.497 0.077 15 0 "[ . 1 . ]" 1
829 1 55 GLN HE22 1 56 ASP H . . 5.120 4.160 3.185 5.189 0.069 1 0 "[ . 1 . ]" 1
830 1 56 ASP H 1 56 ASP HB3 . . 3.730 3.520 3.283 3.644 . 0 0 "[ . 1 . ]" 1
831 1 56 ASP H 1 57 ALA H . . 3.180 2.539 2.411 2.747 . 0 0 "[ . 1 . ]" 1
832 1 56 ASP H 1 57 ALA MB . . 4.770 4.207 4.046 4.365 . 0 0 "[ . 1 . ]" 1
833 1 56 ASP H 1 58 THR H . . 4.510 4.423 4.181 4.575 0.065 9 0 "[ . 1 . ]" 1
834 1 56 ASP H 1 59 ARG H . . 5.390 4.663 4.480 5.003 . 0 0 "[ . 1 . ]" 1
835 1 56 ASP HA 1 58 THR H . . 5.500 4.525 4.094 4.836 . 0 0 "[ . 1 . ]" 1
836 1 56 ASP HA 1 59 ARG H . . 3.740 3.107 2.704 3.656 . 0 0 "[ . 1 . ]" 1
837 1 56 ASP HA 1 59 ARG HB3 . . 3.410 2.471 2.142 3.013 . 0 0 "[ . 1 . ]" 1
838 1 56 ASP HA 1 59 ARG HG3 . . 5.500 4.990 4.366 5.580 0.080 12 0 "[ . 1 . ]" 1
839 1 56 ASP HB3 1 57 ALA H . . 4.010 3.715 3.252 4.075 0.065 19 0 "[ . 1 . ]" 1
840 1 57 ALA H 1 57 ALA MB . . 3.030 2.226 2.066 2.328 . 0 0 "[ . 1 . ]" 1
841 1 57 ALA H 1 58 THR H . . 3.220 2.614 2.490 2.805 . 0 0 "[ . 1 . ]" 1
842 1 57 ALA H 1 58 THR MG . . 5.500 5.601 5.582 5.618 0.118 9 0 "[ . 1 . ]" 1
843 1 57 ALA H 1 59 ARG H . . 4.640 3.799 3.591 3.947 . 0 0 "[ . 1 . ]" 1
844 1 57 ALA HA 1 59 ARG H . . 4.580 4.443 4.203 4.637 0.057 3 0 "[ . 1 . ]" 1
845 1 57 ALA HA 1 60 TRP H . . 4.570 3.741 3.337 4.107 . 0 0 "[ . 1 . ]" 1
846 1 57 ALA MB 1 58 THR H . . 3.410 2.431 2.272 2.608 . 0 0 "[ . 1 . ]" 1
847 1 57 ALA MB 1 58 THR HA . . 5.500 3.915 3.753 4.007 . 0 0 "[ . 1 . ]" 1
848 1 57 ALA MB 1 58 THR HB . . 5.130 4.921 4.540 5.214 0.084 13 0 "[ . 1 . ]" 1
849 1 57 ALA MB 1 79 TYR QD . . 3.970 3.370 2.847 4.032 0.062 15 0 "[ . 1 . ]" 1
850 1 57 ALA MB 1 79 TYR QE . . 3.150 2.406 2.043 3.270 0.120 3 0 "[ . 1 . ]" 1
851 1 58 THR H 1 58 THR HB . . 3.290 2.917 2.491 3.343 0.053 18 0 "[ . 1 . ]" 1
852 1 58 THR H 1 58 THR MG . . 3.500 3.477 3.259 3.603 0.103 17 0 "[ . 1 . ]" 1
853 1 58 THR H 1 59 ARG H . . 3.400 2.705 2.506 2.900 . 0 0 "[ . 1 . ]" 1
854 1 58 THR H 1 60 TRP H . . 5.260 4.335 3.970 4.661 . 0 0 "[ . 1 . ]" 1
855 1 58 THR H 1 79 TYR QE . . 3.990 3.862 3.510 4.074 0.084 16 0 "[ . 1 . ]" 1
856 1 58 THR HA 1 58 THR MG . . 3.230 2.214 2.068 2.397 . 0 0 "[ . 1 . ]" 1
857 1 58 THR HA 1 61 MET HB3 . . 4.360 4.029 3.743 4.326 . 0 0 "[ . 1 . ]" 1
858 1 58 THR HA 1 61 MET ME . . 4.550 4.101 3.406 4.596 0.046 12 0 "[ . 1 . ]" 1
859 1 58 THR HA 1 62 GLU H . . 4.470 3.546 3.098 3.968 . 0 0 "[ . 1 . ]" 1
860 1 58 THR HA 1 79 TYR QE . . 3.640 3.308 2.365 3.724 0.084 14 0 "[ . 1 . ]" 1
861 1 58 THR HB 1 59 ARG H . . 3.820 2.746 2.388 3.168 . 0 0 "[ . 1 . ]" 1
862 1 58 THR MG 1 59 ARG H . . 4.200 3.992 3.742 4.275 0.075 5 0 "[ . 1 . ]" 1
863 1 58 THR MG 1 59 ARG HA . . 4.900 4.385 3.719 4.977 0.077 5 0 "[ . 1 . ]" 1
864 1 58 THR MG 1 62 GLU H . . 5.010 3.630 3.359 3.779 . 0 0 "[ . 1 . ]" 1
865 1 58 THR MG 1 62 GLU HB3 . . 5.250 4.577 3.450 4.780 . 0 0 "[ . 1 . ]" 1
866 1 58 THR MG 1 63 ALA H . . 5.500 5.571 5.354 5.605 0.105 15 0 "[ . 1 . ]" 1
867 1 58 THR MG 1 79 TYR QE . . 4.180 3.620 2.777 4.163 . 0 0 "[ . 1 . ]" 1
868 1 59 ARG H 1 59 ARG HB3 . . 3.390 2.665 2.387 3.044 . 0 0 "[ . 1 . ]" 1
869 1 59 ARG H 1 59 ARG HG3 . . 4.620 4.336 4.027 4.515 . 0 0 "[ . 1 . ]" 1
870 1 59 ARG H 1 60 TRP H . . 3.460 2.748 2.592 2.926 . 0 0 "[ . 1 . ]" 1
871 1 59 ARG H 1 60 TRP HB3 . . 4.910 5.207 4.958 5.404 0.494 15 0 "[ . 1 . ]" 1
872 1 59 ARG HA 1 59 ARG HG3 . . 3.740 2.398 2.182 2.710 . 0 0 "[ . 1 . ]" 1
873 1 59 ARG HA 1 63 ALA H . . 4.430 4.077 3.724 4.366 . 0 0 "[ . 1 . ]" 1
874 1 59 ARG HB3 1 60 TRP H . . 3.960 2.757 2.217 3.308 . 0 0 "[ . 1 . ]" 1
875 1 59 ARG HG3 1 60 TRP H . . 4.970 4.772 4.261 5.091 0.121 19 0 "[ . 1 . ]" 1
876 1 60 TRP H 1 60 TRP HB3 . . 3.080 2.719 2.443 2.832 . 0 0 "[ . 1 . ]" 1
877 1 60 TRP H 1 60 TRP HD1 . . 4.930 4.643 4.413 4.934 0.004 2 0 "[ . 1 . ]" 1
878 1 60 TRP H 1 60 TRP HE3 . . 5.500 5.156 4.861 5.338 . 0 0 "[ . 1 . ]" 1
879 1 60 TRP H 1 61 MET H . . 3.460 2.686 2.311 2.899 . 0 0 "[ . 1 . ]" 1
880 1 60 TRP H 1 62 GLU H . . 5.030 4.562 4.111 4.777 . 0 0 "[ . 1 . ]" 1
881 1 60 TRP HA 1 60 TRP HD1 . . 2.870 2.209 2.075 2.420 . 0 0 "[ . 1 . ]" 1
882 1 60 TRP HA 1 60 TRP HE1 . . 4.980 4.603 4.493 4.758 . 0 0 "[ . 1 . ]" 1
883 1 60 TRP HA 1 63 ALA MB . . 3.930 2.987 2.669 3.390 . 0 0 "[ . 1 . ]" 1
884 1 60 TRP HA 1 64 ASN H . . 5.180 4.715 4.070 5.248 0.068 17 0 "[ . 1 . ]" 1
885 1 60 TRP HA 1 64 ASN HD21 . . 4.980 3.190 2.791 4.193 . 0 0 "[ . 1 . ]" 1
886 1 60 TRP HA 1 64 ASN HD22 . . 4.950 3.969 3.531 5.031 0.081 5 0 "[ . 1 . ]" 1
887 1 60 TRP HB3 1 60 TRP HD1 . . 3.710 3.871 3.821 3.901 0.191 1 0 "[ . 1 . ]" 1
888 1 60 TRP HB3 1 60 TRP HE3 . . 3.770 2.562 2.440 2.705 . 0 0 "[ . 1 . ]" 1
889 1 60 TRP HB3 1 61 MET H . . 3.880 2.556 2.304 2.773 . 0 0 "[ . 1 . ]" 1
890 1 60 TRP HD1 1 63 ALA MB . . 4.270 3.968 3.488 4.347 0.077 8 0 "[ . 1 . ]" 1
891 1 60 TRP HE1 1 64 ASN HD21 . . 5.010 4.044 3.581 5.039 0.029 18 0 "[ . 1 . ]" 1
892 1 60 TRP HE1 1 64 ASN HD22 . . 5.200 3.210 2.437 4.446 . 0 0 "[ . 1 . ]" 1
893 1 60 TRP HE1 1 68 LEU QD . . 4.770 3.044 2.388 3.666 . 0 0 "[ . 1 . ]" 1
894 1 60 TRP HE1 1 77 MET ME . . 5.460 4.309 3.671 5.061 . 0 0 "[ . 1 . ]" 1
895 1 60 TRP HE3 1 77 MET ME . . 4.020 2.967 2.593 3.364 . 0 0 "[ . 1 . ]" 1
896 1 60 TRP HH2 1 68 LEU QD . . 3.970 2.978 2.460 3.409 . 0 0 "[ . 1 . ]" 1
897 1 60 TRP HZ2 1 68 LEU QD . . 3.380 2.571 2.252 3.222 . 0 0 "[ . 1 . ]" 1
898 1 60 TRP HZ3 1 77 MET ME . . 3.880 3.559 2.792 3.948 0.068 13 0 "[ . 1 . ]" 1
899 1 61 MET H 1 61 MET HB3 . . 3.740 3.534 3.460 3.636 . 0 0 "[ . 1 . ]" 1
900 1 61 MET H 1 61 MET ME . . 4.490 4.580 4.507 4.601 0.111 11 0 "[ . 1 . ]" 1
901 1 61 MET H 1 62 GLU H . . 3.580 2.983 2.822 3.106 . 0 0 "[ . 1 . ]" 1
902 1 61 MET H 1 77 MET ME . . 4.830 3.489 3.129 3.893 . 0 0 "[ . 1 . ]" 1
903 1 61 MET HA 1 61 MET ME . . 4.880 3.826 3.443 4.240 . 0 0 "[ . 1 . ]" 1
904 1 61 MET HA 1 62 GLU HA . . 5.020 4.734 4.592 4.870 . 0 0 "[ . 1 . ]" 1
905 1 61 MET HA 1 63 ALA H . . 5.500 4.482 4.145 4.801 . 0 0 "[ . 1 . ]" 1
906 1 61 MET HA 1 64 ASN H . . 4.810 3.886 3.541 4.301 . 0 0 "[ . 1 . ]" 1
907 1 61 MET HA 1 64 ASN HD21 . . 5.500 4.182 3.503 4.691 . 0 0 "[ . 1 . ]" 1
908 1 61 MET HA 1 65 GLN H . . 5.120 4.982 4.614 5.188 0.068 17 0 "[ . 1 . ]" 1
909 1 61 MET HA 1 66 HIS H . . 4.070 3.663 3.296 3.958 . 0 0 "[ . 1 . ]" 1
910 1 61 MET HA 1 66 HIS HA . . 3.990 3.369 2.960 3.883 . 0 0 "[ . 1 . ]" 1
911 1 61 MET HA 1 66 HIS HD2 . . 5.070 3.287 2.967 3.777 . 0 0 "[ . 1 . ]" 1
912 1 61 MET HA 1 68 LEU QD . . 5.500 4.788 4.322 5.090 . 0 0 "[ . 1 . ]" 1
913 1 61 MET HA 1 77 MET ME . . 3.310 2.125 1.996 2.319 . 0 0 "[ . 1 . ]" 1
914 1 61 MET HB3 1 61 MET ME . . 4.390 2.165 2.047 2.397 . 0 0 "[ . 1 . ]" 1
915 1 61 MET HB3 1 62 GLU H . . 3.770 3.276 2.947 3.626 . 0 0 "[ . 1 . ]" 1
916 1 61 MET HB3 1 66 HIS HD2 . . 4.820 2.380 2.120 2.659 . 0 0 "[ . 1 . ]" 1
917 1 61 MET HB3 1 77 MET ME . . 5.500 3.998 3.499 4.487 . 0 0 "[ . 1 . ]" 1
918 1 61 MET ME 1 62 GLU H . . 5.500 4.774 4.428 5.028 . 0 0 "[ . 1 . ]" 1
919 1 61 MET ME 1 66 HIS H . . 5.500 4.991 4.568 5.571 0.071 15 0 "[ . 1 . ]" 1
920 1 61 MET ME 1 66 HIS HA . . 5.360 3.866 3.229 4.595 . 0 0 "[ . 1 . ]" 1
921 1 61 MET ME 1 66 HIS HB3 . . 5.500 3.751 3.066 4.562 . 0 0 "[ . 1 . ]" 1
922 1 61 MET ME 1 66 HIS HD2 . . 3.930 3.194 2.657 3.949 0.019 7 0 "[ . 1 . ]" 1
923 1 61 MET ME 1 78 HIS HA . . 3.490 3.006 2.268 3.565 0.075 6 0 "[ . 1 . ]" 1
924 1 61 MET ME 1 79 TYR H . . 3.670 3.060 2.511 3.711 0.041 16 0 "[ . 1 . ]" 1
925 1 61 MET ME 1 79 TYR HA . . 4.780 4.204 3.493 4.835 0.055 6 0 "[ . 1 . ]" 1
926 1 61 MET ME 1 79 TYR HB3 . . 5.500 4.816 4.380 5.371 . 0 0 "[ . 1 . ]" 1
927 1 61 MET ME 1 79 TYR QD . . 3.500 3.103 2.405 3.580 0.080 12 0 "[ . 1 . ]" 1
928 1 61 MET ME 1 79 TYR QE . . 3.290 2.903 2.604 3.381 0.091 11 0 "[ . 1 . ]" 1
929 1 62 GLU H 1 63 ALA H . . 3.480 2.610 2.433 2.778 . 0 0 "[ . 1 . ]" 1
930 1 62 GLU H 1 63 ALA MB . . 4.450 4.339 4.131 4.443 . 0 0 "[ . 1 . ]" 1
931 1 62 GLU H 1 64 ASN H . . 5.050 4.126 3.967 4.384 . 0 0 "[ . 1 . ]" 1
932 1 62 GLU H 1 66 HIS HD2 . . 5.500 4.048 3.744 4.502 . 0 0 "[ . 1 . ]" 1
933 1 62 GLU HA 1 62 GLU HB3 . . 2.900 2.491 2.398 2.615 . 0 0 "[ . 1 . ]" 1
934 1 62 GLU HA 1 64 ASN H . . 4.690 3.920 3.437 4.557 . 0 0 "[ . 1 . ]" 1
935 1 62 GLU HA 1 65 GLN H . . 3.890 3.253 2.821 3.692 . 0 0 "[ . 1 . ]" 1
936 1 62 GLU HA 1 66 HIS H . . 4.740 3.764 3.415 4.180 . 0 0 "[ . 1 . ]" 1
937 1 62 GLU HA 1 66 HIS HD2 . . 4.160 3.147 2.592 3.631 . 0 0 "[ . 1 . ]" 1
938 1 62 GLU HB3 1 63 ALA H . . 4.010 3.773 3.325 3.937 . 0 0 "[ . 1 . ]" 1
939 1 62 GLU HB3 1 63 ALA HA . . 4.610 4.562 4.098 5.631 1.021 9 1 "[ . +1 . ]" 1
940 1 63 ALA H 1 63 ALA MB . . 2.980 2.291 2.157 2.362 . 0 0 "[ . 1 . ]" 1
941 1 63 ALA H 1 64 ASN H . . 3.690 2.583 2.371 2.738 . 0 0 "[ . 1 . ]" 1
942 1 63 ALA H 1 64 ASN HD21 . . 5.500 4.314 3.875 5.134 . 0 0 "[ . 1 . ]" 1
943 1 63 ALA H 1 65 GLN H . . 5.350 3.900 3.739 4.038 . 0 0 "[ . 1 . ]" 1
944 1 63 ALA H 1 66 HIS H . . 5.030 5.107 5.090 5.119 0.089 18 0 "[ . 1 . ]" 1
945 1 63 ALA HA 1 64 ASN HA . . 4.520 4.566 4.453 4.604 0.084 8 0 "[ . 1 . ]" 1
946 1 63 ALA HA 1 65 GLN H . . 4.650 3.870 3.628 4.127 . 0 0 "[ . 1 . ]" 1
947 1 63 ALA HA 1 65 GLN QE . . 5.500 5.262 3.994 5.408 . 0 0 "[ . 1 . ]" 1
948 1 63 ALA MB 1 64 ASN H . . 3.630 2.996 2.361 3.320 . 0 0 "[ . 1 . ]" 1
949 1 63 ALA MB 1 64 ASN HA . . 4.660 4.156 3.804 4.411 . 0 0 "[ . 1 . ]" 1
950 1 63 ALA MB 1 64 ASN HD21 . . 3.970 3.171 2.796 3.858 . 0 0 "[ . 1 . ]" 1
951 1 63 ALA MB 1 64 ASN HD22 . . 4.460 3.590 3.012 4.098 . 0 0 "[ . 1 . ]" 1
952 1 63 ALA MB 1 65 GLN H . . 5.070 4.455 4.169 4.657 . 0 0 "[ . 1 . ]" 1
953 1 64 ASN H 1 64 ASN HB3 . . 3.880 3.677 3.603 3.822 . 0 0 "[ . 1 . ]" 1
954 1 64 ASN H 1 64 ASN HD21 . . 4.490 3.061 2.652 3.818 . 0 0 "[ . 1 . ]" 1
955 1 64 ASN H 1 64 ASN HD22 . . 5.050 4.360 3.896 4.928 . 0 0 "[ . 1 . ]" 1
956 1 64 ASN H 1 65 GLN H . . 3.210 2.245 1.978 2.619 . 0 0 "[ . 1 . ]" 1
957 1 64 ASN H 1 65 GLN HA . . 4.710 4.390 3.943 4.769 0.059 15 0 "[ . 1 . ]" 1
958 1 64 ASN H 1 66 HIS H . . 4.680 3.366 3.174 3.762 . 0 0 "[ . 1 . ]" 1
959 1 64 ASN H 1 67 SER H . . 5.380 4.996 4.827 5.190 . 0 0 "[ . 1 . ]" 1
960 1 64 ASN H 1 77 MET ME . . 5.500 4.309 4.073 4.609 . 0 0 "[ . 1 . ]" 1
961 1 64 ASN HA 1 65 GLN QE . . 5.500 3.700 2.823 4.875 . 0 0 "[ . 1 . ]" 1
962 1 64 ASN HA 1 66 HIS H . . 5.270 4.539 4.391 4.747 . 0 0 "[ . 1 . ]" 1
963 1 64 ASN HA 1 67 SER H . . 4.380 4.350 4.090 4.465 0.085 10 0 "[ . 1 . ]" 1
964 1 64 ASN HA 1 77 MET ME . . 5.440 5.294 4.960 5.526 0.086 4 0 "[ . 1 . ]" 1
965 1 64 ASN HB3 1 65 GLN H . . 4.760 4.308 4.048 4.460 . 0 0 "[ . 1 . ]" 1
966 1 64 ASN HB3 1 66 HIS H . . 5.500 3.989 3.545 4.395 . 0 0 "[ . 1 . ]" 1
967 1 64 ASN HB3 1 67 SER H . . 3.750 2.990 2.495 3.592 . 0 0 "[ . 1 . ]" 1
968 1 64 ASN HB3 1 68 LEU H . . 5.500 4.583 4.122 5.251 . 0 0 "[ . 1 . ]" 1
969 1 64 ASN HB3 1 68 LEU QD . . 4.020 2.625 2.191 3.264 . 0 0 "[ . 1 . ]" 1
970 1 64 ASN HB3 1 77 MET ME . . 4.840 3.682 3.280 3.928 . 0 0 "[ . 1 . ]" 1
971 1 64 ASN HD21 1 65 GLN H . . 5.500 5.135 4.921 5.559 0.059 5 0 "[ . 1 . ]" 1
972 1 64 ASN HD21 1 68 LEU QD . . 5.410 3.094 2.360 3.586 . 0 0 "[ . 1 . ]" 1
973 1 64 ASN HD21 1 77 MET ME . . 4.070 2.911 2.246 3.442 . 0 0 "[ . 1 . ]" 1
974 1 64 ASN HD22 1 68 LEU QD . . 4.760 2.878 2.370 3.376 . 0 0 "[ . 1 . ]" 1
975 1 64 ASN HD22 1 77 MET ME . . 5.070 3.976 3.180 4.643 . 0 0 "[ . 1 . ]" 1
976 1 65 GLN H 1 65 GLN HA . . 2.850 2.243 2.208 2.278 . 0 0 "[ . 1 . ]" 1
977 1 65 GLN H 1 65 GLN HG3 . . 3.890 2.742 2.495 2.950 . 0 0 "[ . 1 . ]" 1
978 1 65 GLN H 1 66 HIS H . . 3.550 2.544 2.360 2.852 . 0 0 "[ . 1 . ]" 1
979 1 65 GLN H 1 66 HIS HA . . 5.020 4.725 4.534 5.042 0.022 7 0 "[ . 1 . ]" 1
980 1 65 GLN H 1 66 HIS HD2 . . 4.090 4.150 4.026 4.175 0.085 1 0 "[ . 1 . ]" 1
981 1 65 GLN H 1 77 MET ME . . 5.500 5.568 5.513 5.600 0.100 7 0 "[ . 1 . ]" 1
982 1 65 GLN HA 1 65 GLN QE . . 5.490 4.762 4.314 5.159 . 0 0 "[ . 1 . ]" 1
983 1 65 GLN HA 1 65 GLN HG3 . . 3.620 2.951 2.493 3.297 . 0 0 "[ . 1 . ]" 1
984 1 65 GLN HA 1 66 HIS HD2 . . 4.070 3.940 3.144 4.155 0.085 14 0 "[ . 1 . ]" 1
985 1 65 GLN HA 1 67 SER H . . 5.110 4.528 4.364 4.715 . 0 0 "[ . 1 . ]" 1
986 1 66 HIS H 1 66 HIS HD2 . . 3.020 2.411 2.215 2.600 . 0 0 "[ . 1 . ]" 1
987 1 66 HIS H 1 67 SER H . . 3.550 2.930 2.798 3.070 . 0 0 "[ . 1 . ]" 1
988 1 66 HIS H 1 67 SER HA . . 5.500 5.390 5.224 5.560 0.060 3 0 "[ . 1 . ]" 1
989 1 66 HIS H 1 77 MET ME . . 5.400 4.460 4.277 4.668 . 0 0 "[ . 1 . ]" 1
990 1 66 HIS H 1 77 MET HG3 . . 4.970 4.418 4.012 4.725 . 0 0 "[ . 1 . ]" 1
991 1 66 HIS HA 1 66 HIS HD2 . . 3.230 2.579 2.253 2.868 . 0 0 "[ . 1 . ]" 1
992 1 66 HIS HA 1 67 SER HA . . 4.810 4.430 4.237 4.654 . 0 0 "[ . 1 . ]" 1
993 1 66 HIS HA 1 77 MET H . . 4.880 3.947 3.612 4.525 . 0 0 "[ . 1 . ]" 1
994 1 66 HIS HA 1 77 MET HB3 . . 4.790 4.729 4.616 4.862 0.072 6 0 "[ . 1 . ]" 1
995 1 66 HIS HA 1 77 MET ME . . 5.060 3.777 3.555 3.977 . 0 0 "[ . 1 . ]" 1
996 1 66 HIS HA 1 77 MET HG3 . . 3.740 2.574 2.189 2.895 . 0 0 "[ . 1 . ]" 1
997 1 66 HIS HB3 1 67 SER H . . 5.300 4.588 4.501 4.660 . 0 0 "[ . 1 . ]" 1
998 1 66 HIS HB3 1 77 MET H . . 5.090 3.583 3.048 4.411 . 0 0 "[ . 1 . ]" 1
999 1 66 HIS HB3 1 77 MET HG3 . . 4.790 3.711 3.094 4.177 . 0 0 "[ . 1 . ]" 1
1000 1 66 HIS HD2 1 67 SER H . . 5.500 5.033 4.824 5.207 . 0 0 "[ . 1 . ]" 1
1001 1 67 SER H 1 67 SER HB3 . . 3.860 3.675 3.316 3.887 0.027 17 0 "[ . 1 . ]" 1
1002 1 67 SER H 1 68 LEU H . . 4.150 4.143 3.880 4.238 0.088 3 0 "[ . 1 . ]" 1
1003 1 67 SER H 1 77 MET ME . . 5.480 4.878 4.654 5.147 . 0 0 "[ . 1 . ]" 1
1004 1 67 SER HA 1 68 LEU H . . 2.960 2.118 1.993 2.280 . 0 0 "[ . 1 . ]" 1
1005 1 67 SER HA 1 68 LEU HG . . 5.460 4.400 3.863 5.555 0.095 16 0 "[ . 1 . ]" 1
1006 1 67 SER HA 1 75 VAL H . . 5.390 4.480 4.146 5.224 . 0 0 "[ . 1 . ]" 1
1007 1 67 SER HA 1 75 VAL HB . . 5.400 4.720 4.104 5.128 . 0 0 "[ . 1 . ]" 1
1008 1 67 SER HA 1 75 VAL MG1 . . 5.500 4.767 3.954 5.415 . 0 0 "[ . 1 . ]" 1
1009 1 67 SER HA 1 76 SER HA . . 3.440 2.627 2.094 2.990 . 0 0 "[ . 1 . ]" 1
1010 1 67 SER HA 1 77 MET H . . 3.940 3.589 2.894 4.011 0.071 7 0 "[ . 1 . ]" 1
1011 1 67 SER HB3 1 68 LEU H . . 3.990 3.789 3.324 4.097 0.107 18 0 "[ . 1 . ]" 1
1012 1 67 SER HB3 1 74 LYS HG3 . . 5.500 4.005 2.307 5.577 0.077 4 0 "[ . 1 . ]" 1
1013 1 67 SER HB3 1 75 VAL H . . 5.500 4.885 3.748 6.146 0.646 3 1 "[ + . 1 . ]" 1
1014 1 68 LEU H 1 68 LEU HG . . 4.120 3.192 2.324 4.184 0.064 16 0 "[ . 1 . ]" 1
1015 1 68 LEU H 1 70 ILE MD . . 4.770 4.470 4.199 4.857 0.087 16 0 "[ . 1 . ]" 1
1016 1 68 LEU H 1 75 VAL H . . 3.780 3.275 2.875 3.817 0.037 10 0 "[ . 1 . ]" 1
1017 1 68 LEU H 1 75 VAL HB . . 3.740 2.966 2.471 3.251 . 0 0 "[ . 1 . ]" 1
1018 1 68 LEU H 1 75 VAL MG1 . . 4.620 3.743 3.234 4.371 . 0 0 "[ . 1 . ]" 1
1019 1 68 LEU H 1 75 VAL MG2 . . 4.630 4.431 4.038 4.713 0.083 13 0 "[ . 1 . ]" 1
1020 1 68 LEU H 1 76 SER HA . . 4.510 3.623 3.154 3.891 . 0 0 "[ . 1 . ]" 1
1021 1 68 LEU H 1 77 MET H . . 5.140 4.636 3.911 5.204 0.064 1 0 "[ . 1 . ]" 1
1022 1 68 LEU HA 1 68 LEU QD . . 3.170 2.279 2.100 2.870 . 0 0 "[ . 1 . ]" 1
1023 1 68 LEU HA 1 69 ASN H . . 2.840 2.521 2.366 2.627 . 0 0 "[ . 1 . ]" 1
1024 1 68 LEU HA 1 69 ASN HB3 . . 4.160 4.548 4.221 4.745 0.585 9 3 "[ - .* +1 . ]" 1
1025 1 68 LEU QD 1 69 ASN H . . 3.890 3.074 2.037 3.508 . 0 0 "[ . 1 . ]" 1
1026 1 68 LEU QD 1 75 VAL HB . . 4.300 3.581 3.049 3.873 . 0 0 "[ . 1 . ]" 1
1027 1 68 LEU QD 1 77 MET ME . . 3.740 2.213 1.958 2.690 . 0 0 "[ . 1 . ]" 1
1028 1 68 LEU HG 1 77 MET ME . . 5.010 2.979 2.211 4.519 . 0 0 "[ . 1 . ]" 1
1029 1 69 ASN H 1 69 ASN HB3 . . 3.270 2.898 2.644 3.367 0.097 14 0 "[ . 1 . ]" 1
1030 1 69 ASN H 1 69 ASN HD21 . . 5.260 4.987 4.618 5.336 0.076 13 0 "[ . 1 . ]" 1
1031 1 69 ASN H 1 70 ILE MD . . 5.040 2.922 2.434 3.700 . 0 0 "[ . 1 . ]" 1
1032 1 69 ASN H 1 70 ILE HG13 . . 5.350 3.549 2.973 3.835 . 0 0 "[ . 1 . ]" 1
1033 1 69 ASN H 1 75 VAL HB . . 5.280 4.340 3.893 4.647 . 0 0 "[ . 1 . ]" 1
1034 1 69 ASN H 1 75 VAL MG2 . . 5.500 4.326 3.928 5.026 . 0 0 "[ . 1 . ]" 1
1035 1 69 ASN HA 1 69 ASN HD22 . . 5.500 3.700 3.442 4.179 . 0 0 "[ . 1 . ]" 1
1036 1 69 ASN HA 1 70 ILE H . . 2.730 2.219 2.103 2.343 . 0 0 "[ . 1 . ]" 1
1037 1 69 ASN HA 1 70 ILE HA . . 4.690 4.473 4.410 4.530 . 0 0 "[ . 1 . ]" 1
1038 1 69 ASN HA 1 70 ILE HB . . 4.690 4.548 4.231 4.760 0.070 7 0 "[ . 1 . ]" 1
1039 1 69 ASN HA 1 70 ILE HG13 . . 5.500 4.624 4.121 4.949 . 0 0 "[ . 1 . ]" 1
1040 1 69 ASN HA 1 72 GLY H . . 5.440 4.718 4.292 5.017 . 0 0 "[ . 1 . ]" 1
1041 1 69 ASN HA 1 73 GLN H . . 4.410 4.474 4.433 4.489 0.079 1 0 "[ . 1 . ]" 1
1042 1 69 ASN HA 1 74 LYS H . . 5.120 5.001 4.658 5.193 0.073 7 0 "[ . 1 . ]" 1
1043 1 69 ASN HA 1 74 LYS HA . . 3.330 3.041 2.661 3.355 0.025 11 0 "[ . 1 . ]" 1
1044 1 69 ASN HA 1 75 VAL H . . 3.880 3.294 2.876 3.705 . 0 0 "[ . 1 . ]" 1
1045 1 69 ASN HA 1 75 VAL MG2 . . 4.530 3.013 2.614 3.536 . 0 0 "[ . 1 . ]" 1
1046 1 69 ASN HB3 1 70 ILE H . . 4.660 4.431 4.286 4.539 . 0 0 "[ . 1 . ]" 1
1047 1 69 ASN HB3 1 70 ILE MD . . 5.500 4.945 4.597 5.625 0.125 2 0 "[ . 1 . ]" 1
1048 1 69 ASN HB3 1 74 LYS HA . . 4.780 5.362 4.833 5.896 1.116 11 12 "[* **** **+** .* - ]" 1
1049 1 69 ASN HD21 1 70 ILE H . . 5.500 4.100 2.997 5.213 . 0 0 "[ . 1 . ]" 1
1050 1 69 ASN HD21 1 72 GLY H . . 5.500 4.769 3.015 5.452 . 0 0 "[ . 1 . ]" 1
1051 1 69 ASN HD21 1 72 GLY HA3 . . 5.500 5.260 4.320 5.586 0.086 7 0 "[ . 1 . ]" 1
1052 1 69 ASN HD21 1 74 LYS HA . . 5.170 2.865 2.043 4.062 . 0 0 "[ . 1 . ]" 1
1053 1 69 ASN HD22 1 72 GLY H . . 5.500 4.074 3.658 4.573 . 0 0 "[ . 1 . ]" 1
1054 1 69 ASN HD22 1 72 GLY HA2 . . 5.500 2.598 2.113 3.215 . 0 0 "[ . 1 . ]" 1
1055 1 69 ASN HD22 1 72 GLY HA3 . . 5.190 3.896 3.637 4.838 . 0 0 "[ . 1 . ]" 1
1056 1 69 ASN HD22 1 74 LYS HA . . 5.500 4.105 3.501 4.783 . 0 0 "[ . 1 . ]" 1
1057 1 70 ILE H 1 70 ILE HB . . 3.420 2.499 2.323 2.726 . 0 0 "[ . 1 . ]" 1
1058 1 70 ILE H 1 70 ILE MD . . 4.860 2.718 2.440 3.296 . 0 0 "[ . 1 . ]" 1
1059 1 70 ILE H 1 70 ILE HG13 . . 4.530 3.493 3.231 3.696 . 0 0 "[ . 1 . ]" 1
1060 1 70 ILE H 1 70 ILE MG . . 4.420 3.791 3.658 3.932 . 0 0 "[ . 1 . ]" 1
1061 1 70 ILE H 1 71 LEU H . . 4.680 4.297 4.162 4.481 . 0 0 "[ . 1 . ]" 1
1062 1 70 ILE H 1 72 GLY H . . 5.120 3.852 3.189 4.321 . 0 0 "[ . 1 . ]" 1
1063 1 70 ILE H 1 73 GLN H . . 3.530 3.385 3.126 3.597 0.067 7 0 "[ . 1 . ]" 1
1064 1 70 ILE H 1 74 LYS HA . . 4.480 4.495 4.353 4.565 0.085 10 0 "[ . 1 . ]" 1
1065 1 70 ILE H 1 75 VAL H . . 5.310 4.409 3.941 4.860 . 0 0 "[ . 1 . ]" 1
1066 1 70 ILE H 1 75 VAL HB . . 4.670 4.190 3.603 4.726 0.056 3 0 "[ . 1 . ]" 1
1067 1 70 ILE H 1 75 VAL MG2 . . 3.880 2.439 2.163 2.923 . 0 0 "[ . 1 . ]" 1
1068 1 70 ILE HA 1 70 ILE MD . . 3.740 3.556 3.416 3.751 0.011 11 0 "[ . 1 . ]" 1
1069 1 70 ILE HA 1 70 ILE HG13 . . 3.570 2.351 2.158 2.473 . 0 0 "[ . 1 . ]" 1
1070 1 70 ILE HA 1 70 ILE MG . . 3.300 2.489 2.309 2.650 . 0 0 "[ . 1 . ]" 1
1071 1 70 ILE HA 1 71 LEU H . . 2.760 2.131 2.045 2.217 . 0 0 "[ . 1 . ]" 1
1072 1 70 ILE HA 1 71 LEU HA . . 4.330 4.299 4.200 4.381 0.051 16 0 "[ . 1 . ]" 1
1073 1 70 ILE HA 1 71 LEU QD . . 4.390 3.741 3.269 4.286 . 0 0 "[ . 1 . ]" 1
1074 1 70 ILE HA 1 72 GLY H . . 4.200 3.499 3.190 3.862 . 0 0 "[ . 1 . ]" 1
1075 1 70 ILE HA 1 73 GLN H . . 5.120 4.738 4.566 5.042 . 0 0 "[ . 1 . ]" 1
1076 1 70 ILE HB 1 70 ILE MD . . 3.530 2.239 2.146 2.296 . 0 0 "[ . 1 . ]" 1
1077 1 70 ILE HB 1 71 LEU H . . 4.590 4.295 4.161 4.459 . 0 0 "[ . 1 . ]" 1
1078 1 70 ILE HB 1 75 VAL MG2 . . 3.200 2.540 2.156 2.951 . 0 0 "[ . 1 . ]" 1
1079 1 70 ILE MD 1 75 VAL HB . . 4.490 2.755 2.279 3.297 . 0 0 "[ . 1 . ]" 1
1080 1 70 ILE HG13 1 71 LEU H . . 4.810 4.389 4.189 4.555 . 0 0 "[ . 1 . ]" 1
1081 1 70 ILE MG 1 71 LEU H . . 3.550 2.840 2.398 3.275 . 0 0 "[ . 1 . ]" 1
1082 1 70 ILE MG 1 73 GLN H . . 5.300 4.747 4.554 5.126 . 0 0 "[ . 1 . ]" 1
1083 1 71 LEU H 1 71 LEU HA . . 2.850 2.230 2.154 2.261 . 0 0 "[ . 1 . ]" 1
1084 1 71 LEU H 1 71 LEU QD . . 3.450 2.432 2.164 2.799 . 0 0 "[ . 1 . ]" 1
1085 1 71 LEU H 1 71 LEU HG . . 3.680 3.415 2.886 3.750 0.070 17 0 "[ . 1 . ]" 1
1086 1 71 LEU H 1 72 GLY H . . 3.450 2.746 2.635 2.944 . 0 0 "[ . 1 . ]" 1
1087 1 71 LEU H 1 72 GLY HA2 . . 4.930 4.979 4.920 5.000 0.070 16 0 "[ . 1 . ]" 1
1088 1 71 LEU H 1 72 GLY HA3 . . 5.280 5.342 5.302 5.361 0.081 19 0 "[ . 1 . ]" 1
1089 1 71 LEU H 1 73 GLN H . . 4.860 4.437 4.310 4.721 . 0 0 "[ . 1 . ]" 1
1090 1 71 LEU HA 1 71 LEU QD . . 2.900 2.522 2.095 2.889 . 0 0 "[ . 1 . ]" 1
1091 1 71 LEU HA 1 71 LEU HG . . 3.730 2.799 2.299 3.547 . 0 0 "[ . 1 . ]" 1
1092 1 71 LEU HA 1 72 GLY H . . 3.330 2.963 2.633 3.391 0.061 2 0 "[ . 1 . ]" 1
1093 1 71 LEU HA 1 73 GLN H . . 4.940 4.523 4.319 4.893 . 0 0 "[ . 1 . ]" 1
1094 1 71 LEU HB3 1 71 LEU QD . . 3.270 2.198 2.097 2.290 . 0 0 "[ . 1 . ]" 1
1095 1 71 LEU HB3 1 73 GLN H . . 5.440 4.495 4.028 5.003 . 0 0 "[ . 1 . ]" 1
1096 1 71 LEU QD 1 72 GLY H . . 4.420 4.294 4.139 4.345 . 0 0 "[ . 1 . ]" 1
1097 1 71 LEU QD 1 73 GLN QE . . 4.740 3.366 2.724 4.067 . 0 0 "[ . 1 . ]" 1
1098 1 71 LEU HG 1 72 GLY H . . 5.500 5.119 4.377 5.431 . 0 0 "[ . 1 . ]" 1
1099 1 72 GLY H 1 73 GLN H . . 3.320 2.769 1.971 3.081 . 0 0 "[ . 1 . ]" 1
1100 1 72 GLY HA3 1 73 GLN HA . . 5.010 4.515 4.398 4.650 . 0 0 "[ . 1 . ]" 1
1101 1 73 GLN H 1 73 GLN HB3 . . 3.420 3.368 2.431 3.502 0.082 5 0 "[ . 1 . ]" 1
1102 1 73 GLN H 1 74 LYS H . . 4.790 4.512 4.413 4.583 . 0 0 "[ . 1 . ]" 1
1103 1 73 GLN H 1 75 VAL MG2 . . 5.080 4.261 3.984 4.552 . 0 0 "[ . 1 . ]" 1
1104 1 73 GLN HA 1 74 LYS H . . 2.650 2.193 2.096 2.330 . 0 0 "[ . 1 . ]" 1
1105 1 73 GLN HB3 1 74 LYS H . . 3.630 3.141 2.720 3.784 0.154 19 0 "[ . 1 . ]" 1
1106 1 73 GLN HB3 1 75 VAL MG2 . . 5.090 3.201 2.675 5.162 0.072 19 0 "[ . 1 . ]" 1
1107 1 74 LYS H 1 74 LYS HB3 . . 2.850 2.447 2.289 2.706 . 0 0 "[ . 1 . ]" 1
1108 1 74 LYS H 1 74 LYS HG3 . . 4.450 4.475 4.215 4.685 0.235 9 0 "[ . 1 . ]" 1
1109 1 74 LYS H 1 75 VAL H . . 4.460 4.451 4.088 4.532 0.072 14 0 "[ . 1 . ]" 1
1110 1 74 LYS H 1 75 VAL MG2 . . 5.500 4.297 4.031 4.562 . 0 0 "[ . 1 . ]" 1
1111 1 74 LYS HA 1 74 LYS HG3 . . 3.930 2.635 2.268 3.467 . 0 0 "[ . 1 . ]" 1
1112 1 74 LYS HA 1 75 VAL H . . 2.740 2.182 2.115 2.254 . 0 0 "[ . 1 . ]" 1
1113 1 74 LYS HA 1 75 VAL HB . . 4.680 4.471 4.223 4.637 . 0 0 "[ . 1 . ]" 1
1114 1 74 LYS HA 1 75 VAL MG2 . . 4.040 3.547 3.212 3.823 . 0 0 "[ . 1 . ]" 1
1115 1 74 LYS HG3 1 75 VAL H . . 4.660 3.137 2.524 4.877 0.217 4 0 "[ . 1 . ]" 1
1116 1 75 VAL H 1 75 VAL HB . . 3.380 2.535 2.311 2.737 . 0 0 "[ . 1 . ]" 1
1117 1 75 VAL H 1 75 VAL MG2 . . 3.570 2.671 2.019 3.042 . 0 0 "[ . 1 . ]" 1
1118 1 75 VAL H 1 76 SER H . . 4.780 4.458 4.358 4.617 . 0 0 "[ . 1 . ]" 1
1119 1 75 VAL HA 1 75 VAL MG1 . . 3.120 2.484 2.337 2.665 . 0 0 "[ . 1 . ]" 1
1120 1 75 VAL HA 1 75 VAL MG2 . . 3.230 2.427 2.250 2.560 . 0 0 "[ . 1 . ]" 1
1121 1 75 VAL HA 1 76 SER H . . 2.820 2.311 2.225 2.450 . 0 0 "[ . 1 . ]" 1
1122 1 75 VAL HA 1 76 SER HB3 . . 4.980 5.268 4.378 5.928 0.948 9 11 "[* **. +1 *-*** **]" 1
1123 1 75 VAL HB 1 76 SER H . . 4.010 3.978 3.765 4.090 0.080 17 0 "[ . 1 . ]" 1
1124 1 75 VAL MG1 1 76 SER H . . 3.600 2.433 2.227 2.729 . 0 0 "[ . 1 . ]" 1
1125 1 76 SER H 1 76 SER HB3 . . 3.660 3.510 2.840 3.802 0.142 16 0 "[ . 1 . ]" 1
1126 1 76 SER H 1 77 MET H . . 5.020 4.432 4.187 4.601 . 0 0 "[ . 1 . ]" 1
1127 1 76 SER HA 1 77 MET H . . 2.970 2.282 2.154 2.425 . 0 0 "[ . 1 . ]" 1
1128 1 76 SER HA 1 77 MET HG3 . . 4.950 5.586 5.254 5.837 0.887 13 14 "[-**** * *** +** **]" 1
1129 1 76 SER HB3 1 77 MET H . . 4.450 3.484 2.648 4.325 . 0 0 "[ . 1 . ]" 1
1130 1 77 MET H 1 77 MET HG3 . . 4.170 3.594 3.396 3.870 . 0 0 "[ . 1 . ]" 1
1131 1 77 MET H 1 78 HIS H . . 5.070 4.485 4.311 4.613 . 0 0 "[ . 1 . ]" 1
1132 1 77 MET HA 1 77 MET ME . . 4.410 4.338 4.202 4.485 0.075 2 0 "[ . 1 . ]" 1
1133 1 77 MET HA 1 77 MET HG3 . . 3.990 4.077 3.991 4.150 0.160 14 0 "[ . 1 . ]" 1
1134 1 77 MET HA 1 78 HIS H . . 3.040 2.196 2.097 2.264 . 0 0 "[ . 1 . ]" 1
1135 1 77 MET HA 1 78 HIS HD2 . . 3.750 3.204 2.825 3.642 . 0 0 "[ . 1 . ]" 1
1136 1 77 MET HB3 1 77 MET ME . . 4.140 2.369 2.189 2.625 . 0 0 "[ . 1 . ]" 1
1137 1 77 MET HG3 1 78 HIS H . . 4.750 4.528 4.226 4.703 . 0 0 "[ . 1 . ]" 1
1138 1 78 HIS H 1 78 HIS HB3 . . 3.730 3.795 3.718 3.859 0.129 12 0 "[ . 1 . ]" 1
1139 1 78 HIS H 1 78 HIS HD2 . . 3.520 3.163 2.770 3.581 0.061 6 0 "[ . 1 . ]" 1
1140 1 78 HIS H 1 79 TYR H . . 4.450 4.355 4.216 4.450 . 0 0 "[ . 1 . ]" 1
1141 1 78 HIS HA 1 79 TYR H . . 3.020 2.313 2.224 2.488 . 0 0 "[ . 1 . ]" 1
1142 1 78 HIS HA 1 79 TYR HB3 . . 4.920 5.757 5.638 5.963 1.043 18 19 [************-****+*] 1
1143 1 78 HIS HA 1 79 TYR QD . . 5.040 4.689 4.195 5.072 0.032 14 0 "[ . 1 . ]" 1
1144 1 78 HIS HB3 1 78 HIS HD2 . . 3.590 3.854 3.753 3.950 0.360 6 0 "[ . 1 . ]" 1
1145 1 78 HIS HB3 1 79 TYR H . . 4.460 3.092 2.732 3.598 . 0 0 "[ . 1 . ]" 1
1146 1 79 TYR H 1 79 TYR HB3 . . 3.320 3.522 3.396 3.644 0.324 19 0 "[ . 1 . ]" 1
1147 1 79 TYR H 1 79 TYR QD . . 3.410 3.245 2.697 3.483 0.073 2 0 "[ . 1 . ]" 1
1148 1 79 TYR H 1 80 SER H . . 5.160 4.233 3.746 4.634 . 0 0 "[ . 1 . ]" 1
1149 1 79 TYR HA 1 79 TYR QD . . 2.960 2.231 2.037 2.552 . 0 0 "[ . 1 . ]" 1
1150 1 79 TYR HA 1 80 SER H . . 3.080 2.280 2.123 2.453 . 0 0 "[ . 1 . ]" 1
1151 1 79 TYR HB3 1 80 SER H . . 4.520 3.774 2.609 4.271 . 0 0 "[ . 1 . ]" 1
1152 1 80 SER H 1 80 SER HB3 . . 3.260 3.003 2.619 3.420 0.160 8 0 "[ . 1 . ]" 1
1153 1 80 SER H 1 81 ASP H . . 4.370 3.493 2.638 4.337 . 0 0 "[ . 1 . ]" 1
1154 1 80 SER HA 1 80 SER HB3 . . 2.960 2.944 2.275 3.061 0.101 14 0 "[ . 1 . ]" 1
1155 1 80 SER HA 1 81 ASP H . . 3.110 2.604 2.386 3.207 0.097 1 0 "[ . 1 . ]" 1
1156 1 80 SER HB3 1 81 ASP H . . 4.720 4.227 2.571 4.613 . 0 0 "[ . 1 . ]" 1
1157 1 81 ASP H 1 81 ASP HB3 . . 3.270 2.690 2.143 3.716 0.446 1 0 "[ . 1 . ]" 1
1158 1 81 ASP HA 1 82 PRO HD3 . . 3.130 2.362 2.180 2.533 . 0 0 "[ . 1 . ]" 1
1159 1 81 ASP HB3 1 82 PRO HD3 . . 3.780 4.179 3.479 4.696 0.916 11 9 "[ * *. * **+ * * - ]" 1
1160 1 81 ASP HB3 1 83 LYS H . . 5.130 4.547 2.988 5.216 0.086 19 0 "[ . 1 . ]" 1
1161 1 82 PRO HB3 1 83 LYS H . . 3.800 4.160 3.853 4.238 0.438 18 0 "[ . 1 . ]" 1
1162 1 82 PRO HD3 1 83 LYS H . . 4.200 3.884 3.772 4.175 . 0 0 "[ . 1 . ]" 1
1163 1 83 LYS H 1 84 PRO HD3 . . 4.940 4.678 4.364 4.931 . 0 0 "[ . 1 . ]" 1
1164 1 83 LYS HA 1 84 PRO HA . . 4.390 4.440 4.182 4.468 0.078 15 0 "[ . 1 . ]" 1
1165 1 83 LYS HA 1 84 PRO HD3 . . 3.100 2.521 2.351 2.700 . 0 0 "[ . 1 . ]" 1
1166 1 83 LYS HA 1 85 LYS H . . 5.470 5.424 5.258 5.587 0.117 17 0 "[ . 1 . ]" 1
1167 1 83 LYS HB3 1 83 LYS HE3 . . 4.630 3.346 2.374 4.762 0.132 6 0 "[ . 1 . ]" 1
1168 1 83 LYS HB3 1 84 PRO HD3 . . 4.180 4.622 4.545 4.655 0.475 9 0 "[ . 1 . ]" 1
1169 1 84 PRO HA 1 85 LYS H . . 2.730 2.213 2.095 2.540 . 0 0 "[ . 1 . ]" 1
1170 1 84 PRO HA 1 86 ILE H . . 5.500 3.724 3.170 5.560 0.060 17 0 "[ . 1 . ]" 1
1171 1 84 PRO HB3 1 86 ILE MD . . 5.110 2.900 2.547 3.607 . 0 0 "[ . 1 . ]" 1
1172 1 84 PRO HD3 1 85 LYS H . . 5.150 5.298 4.639 5.467 0.317 10 0 "[ . 1 . ]" 1
1173 1 84 PRO HD3 1 86 ILE MD . . 5.500 4.985 4.233 5.562 0.062 5 0 "[ . 1 . ]" 1
1174 1 85 LYS H 1 86 ILE H . . 3.730 2.775 2.340 3.467 . 0 0 "[ . 1 . ]" 1
1175 1 85 LYS H 1 86 ILE MG . . 5.500 5.444 5.229 5.589 0.089 12 0 "[ . 1 . ]" 1
1176 1 85 LYS HA 1 86 ILE H . . 2.870 2.782 2.066 2.955 0.085 13 0 "[ . 1 . ]" 1
1177 1 85 LYS HA 1 86 ILE MD . . 5.310 4.093 3.519 5.234 . 0 0 "[ . 1 . ]" 1
1178 1 85 LYS HB3 1 86 ILE H . . 4.470 4.246 3.750 4.529 0.059 16 0 "[ . 1 . ]" 1
1179 1 86 ILE H 1 86 ILE HB . . 3.100 2.754 2.548 2.937 . 0 0 "[ . 1 . ]" 1
1180 1 86 ILE H 1 86 ILE MD . . 4.960 1.955 1.657 4.095 . 0 0 "[ . 1 . ]" 1
1181 1 86 ILE H 1 86 ILE HG13 . . 3.770 2.859 2.568 3.599 . 0 0 "[ . 1 . ]" 1
1182 1 86 ILE H 1 86 ILE MG . . 3.890 3.823 3.766 3.862 . 0 0 "[ . 1 . ]" 1
1183 1 86 ILE HA 1 86 ILE MD . . 4.190 3.616 2.662 3.836 . 0 0 "[ . 1 . ]" 1
1184 1 86 ILE HA 1 86 ILE HG13 . . 3.910 2.823 2.549 3.974 0.064 5 0 "[ . 1 . ]" 1
1185 1 86 ILE HA 1 86 ILE MG . . 3.390 2.280 2.198 2.436 . 0 0 "[ . 1 . ]" 1
1186 1 86 ILE HA 1 87 ASN H . . 3.030 2.362 2.115 2.601 . 0 0 "[ . 1 . ]" 1
1187 1 86 ILE HA 1 87 ASN HA . . 4.600 4.469 4.334 4.555 . 0 0 "[ . 1 . ]" 1
1188 1 86 ILE HB 1 86 ILE MD . . 3.590 2.367 2.238 3.322 . 0 0 "[ . 1 . ]" 1
1189 1 86 ILE HB 1 87 ASN H . . 3.910 3.500 3.082 3.965 0.055 11 0 "[ . 1 . ]" 1
1190 1 86 ILE HB 1 87 ASN HD21 . . 5.500 5.389 4.305 5.582 0.082 1 0 "[ . 1 . ]" 1
1191 1 86 ILE HB 1 89 ASP HA . . 4.520 3.904 2.474 4.574 0.054 15 0 "[ . 1 . ]" 1
1192 1 86 ILE HG13 1 86 ILE MG . . 3.440 2.675 2.286 3.240 . 0 0 "[ . 1 . ]" 1
1193 1 86 ILE MG 1 87 ASN H . . 4.000 2.062 1.748 2.536 . 0 0 "[ . 1 . ]" 1
1194 1 86 ILE MG 1 87 ASN HA . . 5.460 4.221 4.078 4.375 . 0 0 "[ . 1 . ]" 1
1195 1 86 ILE MG 1 87 ASN HB3 . . 5.300 4.372 3.484 5.030 . 0 0 "[ . 1 . ]" 1
1196 1 86 ILE MG 1 87 ASN HD21 . . 5.450 3.565 1.971 4.818 . 0 0 "[ . 1 . ]" 1
1197 1 86 ILE MG 1 87 ASN HD22 . . 5.500 4.474 2.903 5.600 0.100 14 0 "[ . 1 . ]" 1
1198 1 86 ILE MG 1 88 GLU H . . 5.090 3.701 1.764 5.132 0.042 5 0 "[ . 1 . ]" 1
1199 1 86 ILE MG 1 89 ASP H . . 5.500 4.895 3.942 5.571 0.071 9 0 "[ . 1 . ]" 1
1200 1 87 ASN H 1 87 ASN HB3 . . 3.630 2.980 2.166 3.669 0.039 14 0 "[ . 1 . ]" 1
1201 1 87 ASN H 1 87 ASN HD21 . . 5.000 2.605 2.118 3.522 . 0 0 "[ . 1 . ]" 1
1202 1 87 ASN H 1 87 ASN HD22 . . 5.500 3.915 3.208 4.463 . 0 0 "[ . 1 . ]" 1
1203 1 87 ASN HA 1 87 ASN HD22 . . 5.500 4.510 3.552 5.266 . 0 0 "[ . 1 . ]" 1
1204 1 87 ASN HA 1 88 GLU H . . 3.100 2.729 2.078 3.190 0.090 10 0 "[ . 1 . ]" 1
1205 1 88 GLU H 1 90 TRP H . . 5.500 5.219 4.673 5.558 0.058 15 0 "[ . 1 . ]" 1
1206 1 88 GLU HA 1 89 ASP H . . 3.080 2.253 1.945 2.428 . 0 0 "[ . 1 . ]" 1
1207 1 88 GLU HA 1 90 TRP H . . 4.600 3.422 2.984 4.097 . 0 0 "[ . 1 . ]" 1
1208 1 88 GLU HA 1 90 TRP HD1 . . 4.440 3.997 3.262 4.513 0.073 18 0 "[ . 1 . ]" 1
1209 1 88 GLU HA 1 90 TRP HE1 . . 5.500 3.852 2.940 4.712 . 0 0 "[ . 1 . ]" 1
1210 1 88 GLU HA 1 91 LEU H . . 5.220 4.371 3.895 5.192 . 0 0 "[ . 1 . ]" 1
1211 1 88 GLU HA 1 91 LEU QD . . 4.650 3.577 2.471 4.411 . 0 0 "[ . 1 . ]" 1
1212 1 88 GLU HB3 1 89 ASP H . . 4.180 3.734 2.444 4.263 0.083 8 0 "[ . 1 . ]" 1
1213 1 88 GLU HB3 1 90 TRP H . . 5.060 3.478 2.048 4.652 . 0 0 "[ . 1 . ]" 1
1214 1 88 GLU HB3 1 91 LEU HA . . 4.720 4.748 4.470 4.809 0.089 12 0 "[ . 1 . ]" 1
1215 1 89 ASP H 1 89 ASP HB3 . . 3.460 2.801 2.244 3.521 0.061 3 0 "[ . 1 . ]" 1
1216 1 89 ASP H 1 90 TRP H . . 3.430 2.486 1.812 2.895 . 0 0 "[ . 1 . ]" 1
1217 1 89 ASP H 1 90 TRP HD1 . . 5.500 2.955 2.007 3.829 . 0 0 "[ . 1 . ]" 1
1218 1 89 ASP H 1 91 LEU H . . 5.110 4.094 3.481 4.480 . 0 0 "[ . 1 . ]" 1
1219 1 89 ASP HA 1 89 ASP HB3 . . 2.920 2.959 2.735 3.058 0.138 9 0 "[ . 1 . ]" 1
1220 1 89 ASP HA 1 91 LEU H . . 5.000 3.935 3.442 4.210 . 0 0 "[ . 1 . ]" 1
1221 1 89 ASP HB3 1 90 TRP H . . 4.400 3.550 3.145 3.947 . 0 0 "[ . 1 . ]" 1
1222 1 90 TRP H 1 90 TRP HB3 . . 3.690 3.146 2.842 3.356 . 0 0 "[ . 1 . ]" 1
1223 1 90 TRP H 1 90 TRP HD1 . . 3.430 2.555 2.255 3.054 . 0 0 "[ . 1 . ]" 1
1224 1 90 TRP H 1 90 TRP HE1 . . 5.500 4.168 3.820 4.472 . 0 0 "[ . 1 . ]" 1
1225 1 90 TRP H 1 91 LEU H . . 3.520 2.151 1.778 2.556 . 0 0 "[ . 1 . ]" 1
1226 1 90 TRP H 1 91 LEU QD . . 5.500 3.355 2.800 3.751 . 0 0 "[ . 1 . ]" 1
1227 1 90 TRP HA 1 90 TRP HD1 . . 4.560 4.288 4.190 4.390 . 0 0 "[ . 1 . ]" 1
1228 1 90 TRP HA 1 91 LEU H . . 3.060 3.129 3.100 3.157 0.097 12 0 "[ . 1 . ]" 1
1229 1 90 TRP HA 1 91 LEU QD . . 5.500 4.495 4.351 4.907 . 0 0 "[ . 1 . ]" 1
1230 1 90 TRP HB3 1 90 TRP HE3 . . 3.840 4.123 4.045 4.193 0.353 7 0 "[ . 1 . ]" 1
1231 1 90 TRP HB3 1 91 LEU QD . . 5.310 4.743 4.454 5.203 . 0 0 "[ . 1 . ]" 1
1232 1 90 TRP HD1 1 91 LEU H . . 5.500 4.620 4.141 4.998 . 0 0 "[ . 1 . ]" 1
1233 1 90 TRP HD1 1 91 LEU QD . . 4.430 4.316 3.724 4.477 0.047 12 0 "[ . 1 . ]" 1
1234 1 90 TRP HE1 1 91 LEU QD . . 5.500 3.891 3.124 4.257 . 0 0 "[ . 1 . ]" 1
1235 1 90 TRP HE3 1 91 LEU QD . . 4.790 2.985 2.652 3.673 . 0 0 "[ . 1 . ]" 1
1236 1 90 TRP HH2 1 91 LEU QD . . 4.560 3.447 3.085 4.040 . 0 0 "[ . 1 . ]" 1
1237 1 90 TRP HZ2 1 91 LEU QD . . 5.010 3.555 2.958 4.203 . 0 0 "[ . 1 . ]" 1
1238 1 90 TRP HZ3 1 91 LEU QD . . 4.880 3.224 2.872 3.629 . 0 0 "[ . 1 . ]" 1
1239 1 91 LEU H 1 91 LEU QD . . 4.760 2.966 2.464 3.401 . 0 0 "[ . 1 . ]" 1
1240 1 91 LEU HA 1 91 LEU QD . . 3.320 2.206 1.911 2.997 . 0 0 "[ . 1 . ]" 1
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