NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
393293 |
1qfr   |
4774 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qfr
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 735
_Distance_constraint_stats_list.Viol_count 2881
_Distance_constraint_stats_list.Viol_total 18619.627
_Distance_constraint_stats_list.Viol_max 4.356
_Distance_constraint_stats_list.Viol_rms 0.2747
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0990
_Distance_constraint_stats_list.Viol_average_violations_only 0.4039
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 54.449 2.202 9 15 "[ *******+-******]"
1 2 GLU 19.220 1.456 13 12 "[ ****-****+ **]"
1 3 LYS 2.074 0.543 5 1 "[ + 1 . ]"
1 4 LYS 11.933 0.899 9 15 "[-*******+*** ***]"
1 5 GLU 6.573 0.373 11 0 "[ . 1 . ]"
1 6 PHE 42.697 1.723 6 15 "[****-+ *********]"
1 7 HIS 29.901 1.485 4 16 [**-+************]
1 8 ILE 27.095 0.886 12 14 "[ ****** *-*+****]"
1 9 VAL 33.981 1.485 4 16 [***+**********-*]
1 10 ALA 20.159 0.920 15 4 "[ * . 1 - +*]"
1 11 GLU 8.315 0.920 15 2 "[ . 1 - + ]"
1 12 THR 6.534 0.647 7 3 "[ *. + 1 - ]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 14 ILE 1.764 0.127 14 0 "[ . 1 . ]"
1 15 HIS 76.994 2.141 8 16 [*******+*-******]
1 16 ALA 23.635 1.700 12 16 [***-*******+****]
1 17 ARG 37.572 2.141 8 16 [*******+**-*****]
1 18 PRO 12.059 0.544 12 8 "[*** .* *- + * ]"
1 19 ALA 20.893 0.575 9 8 "[ -*.** +1* *.*]"
1 20 THR 30.071 2.227 11 10 "[* * ** -+ ****]"
1 21 LEU 17.099 0.479 5 0 "[ . 1 . ]"
1 22 LEU 14.296 1.070 15 16 [********-*****+*]
1 23 VAL 11.510 0.398 13 0 "[ . 1 . ]"
1 24 GLN 19.476 2.227 11 10 "[* * ** -+ ****]"
1 25 THR 24.510 1.070 15 16 [********-*****+*]
1 26 ALA 17.675 1.064 16 16 [**************-+]
1 27 SER 13.477 0.641 10 14 "[ ****-***+****.*]"
1 28 LYS 0.342 0.311 15 0 "[ . 1 . ]"
1 29 PHE 47.103 1.867 15 16 [**************+-]
1 30 ASN 30.473 1.867 15 16 [*******-******+*]
1 31 SER 24.811 1.129 9 16 [********+*******]
1 32 ASP 3.890 0.317 12 0 "[ . 1 . ]"
1 33 ILE 19.972 0.641 10 14 "[ ****-***+****.*]"
1 34 ASN 9.500 0.365 5 0 "[ . 1 . ]"
1 35 LEU 76.112 2.158 12 16 [***********+*-**]
1 36 GLU 83.054 1.670 12 16 [******-****+****]
1 37 TYR 34.615 4.356 12 4 "[ - . **1 + . ]"
1 38 LYS 7.474 2.030 12 2 "[ . -1 + . ]"
1 39 GLY 0.695 0.695 9 1 "[ . +1 . ]"
1 40 LYS 27.656 1.860 9 14 "[******-*+1* ****]"
1 41 SER 25.575 1.155 1 16 [+*******-*******]
1 42 VAL 11.588 0.296 1 0 "[ . 1 . ]"
1 43 ASN 11.433 0.532 9 1 "[ . +1 . ]"
1 44 LEU 30.558 0.890 9 16 [********+*******]
1 45 LYS 28.343 0.890 9 16 [********+*******]
1 46 SER 22.082 1.012 2 9 "[-+ *** **1 *.*]"
1 47 ILE 23.138 1.143 16 16 [*********-*****+]
1 48 MET 18.899 1.012 2 10 "[-+ *** *** *.*]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 50 VAL 29.534 1.143 16 16 [-**************+]
1 51 MET 8.047 1.121 16 6 "[*- *.* 1* .+]"
1 52 SER 25.771 1.890 9 16 [******-*+*******]
1 53 LEU 40.840 1.890 9 15 "[*** **-*+*******]"
1 54 GLY 32.446 1.235 8 16 [-******+********]
1 55 VAL 31.998 1.235 8 16 [-******+********]
1 56 GLY 7.212 0.498 8 0 "[ . 1 . ]"
1 57 GLN 9.512 0.584 13 6 "[ * * - 1* + * ]"
1 58 GLY 10.511 0.782 10 10 "[ -** * + *****]"
1 59 SER 28.737 4.356 12 14 "[ ****** *-*+****]"
1 60 ASP 23.627 2.592 12 5 "[ * - +* * ]"
1 61 VAL 12.849 0.747 9 1 "[ . +1 . ]"
1 62 THR 47.707 1.601 12 16 [***********+-***]
1 63 ILE 32.027 1.296 9 16 [-*******+*******]
1 64 THR 54.905 2.158 12 16 [********-**+****]
1 65 VAL 2.093 0.181 4 0 "[ . 1 . ]"
1 66 ASP 25.498 1.609 13 15 "[ ******-****+***]"
1 67 GLY 23.544 1.280 16 14 "[******* ** *-**+]"
1 68 ALA 0.863 0.093 4 0 "[ . 1 . ]"
1 69 ASP 43.857 1.333 11 16 [**********+****-]
1 70 GLU 59.733 2.202 9 16 [********+***-***]
1 71 ALA 27.273 1.333 11 15 "[***** ****+****-]"
1 72 GLU 33.182 1.402 7 16 [******+-********]
1 73 GLY 7.909 0.646 7 8 "[ *. +- 1*** **]"
1 74 MET 22.517 1.723 6 11 "[****-+ *1****. ]"
1 75 ALA 13.575 0.630 8 8 "[* - .**+*1 *.*]"
1 76 ALA 8.997 0.501 7 1 "[ . + 1 . ]"
1 77 ILE 46.804 1.064 16 16 [******-********+]
1 78 VAL 74.305 1.269 9 16 [*-******+*******]
1 79 GLU 9.368 0.501 2 1 "[ + . 1 . ]"
1 80 THR 20.187 0.725 4 11 "[-**+** 1** ***]"
1 81 LEU 39.297 0.835 12 12 "[**-** * ***+ ** ]"
1 82 GLN 22.934 0.879 9 16 [********+**-****]
1 83 LYS 5.850 0.444 13 0 "[ . 1 . ]"
1 84 GLU 9.048 0.602 10 15 [*********+***-.*]
1 85 GLY 11.973 0.879 9 16 [********+**-****]
1 86 LEU 24.990 2.083 10 16 [*********+***-**]
1 87 ALA 8.338 0.503 5 1 "[ + 1 . ]"
1 88 GLU 18.756 1.351 4 5 "[ +- 1 ** * ]"
1 89 GLN 11.914 1.351 4 8 "[ *+* **1 *- * ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QB . . 2.530 2.452 2.304 2.578 0.048 12 0 "[ . 1 . ]" 1
2 1 1 MET HA 1 2 GLU H . . 2.150 2.978 2.203 3.606 1.456 13 11 "[ *.*******+ *-]" 1
3 1 1 MET HA 1 2 GLU QG . . 4.210 4.120 3.835 4.395 0.185 9 0 "[ . 1 . ]" 1
4 1 1 MET HA 1 66 ASP HA . . 1.850 2.785 2.084 3.459 1.609 13 14 "[ ****** ***-+***]" 1
5 1 1 MET HA 1 67 GLY H . . 3.150 3.809 2.649 4.430 1.280 16 10 "[ *****- *1 **.+]" 1
6 1 1 MET HA 1 70 GLU QB . . 3.900 4.696 3.042 6.102 2.202 9 12 "[ ****** +- ****]" 1
7 1 1 MET QB 1 66 ASP HA . . 4.280 4.108 3.470 4.662 0.382 3 0 "[ . 1 . ]" 1
8 1 2 GLU H 1 2 GLU HA . . 2.900 2.889 2.862 2.917 0.017 9 0 "[ . 1 . ]" 1
9 1 2 GLU H 1 2 GLU QB . . 3.370 2.766 2.218 3.026 . 0 0 "[ . 1 . ]" 1
10 1 2 GLU H 1 2 GLU QG . . 3.500 2.958 2.243 3.392 . 0 0 "[ . 1 . ]" 1
11 1 2 GLU H 1 65 VAL O . . 2.300 1.808 1.529 1.917 . 0 0 "[ . 1 . ]" 1
12 1 2 GLU H 1 66 ASP HA . . 2.870 3.015 2.460 3.375 0.505 8 1 "[ . + 1 . ]" 1
13 1 2 GLU HA 1 2 GLU HB2 . . 3.050 3.036 2.981 3.052 0.002 1 0 "[ . 1 . ]" 1
14 1 2 GLU HA 1 2 GLU HB3 . . 2.680 2.479 2.351 2.747 0.067 5 0 "[ . 1 . ]" 1
15 1 2 GLU HA 1 2 GLU QG . . 2.990 2.393 2.039 2.635 . 0 0 "[ . 1 . ]" 1
16 1 2 GLU QB 1 3 LYS H . . 3.380 2.846 1.813 3.923 0.543 5 1 "[ + 1 . ]" 1
17 1 2 GLU O 1 65 VAL H . . 2.300 1.767 1.643 1.834 . 0 0 "[ . 1 . ]" 1
18 1 3 LYS H 1 3 LYS HA . . 2.940 2.929 2.895 2.939 . 0 0 "[ . 1 . ]" 1
19 1 3 LYS H 1 3 LYS QB . . 3.400 2.422 2.120 2.670 . 0 0 "[ . 1 . ]" 1
20 1 3 LYS HA 1 3 LYS HG2 . . 3.660 3.593 3.564 3.681 0.021 16 0 "[ . 1 . ]" 1
21 1 3 LYS HA 1 3 LYS QG . . 3.560 3.098 3.013 3.139 . 0 0 "[ . 1 . ]" 1
22 1 3 LYS HA 1 3 LYS HG3 . . 3.670 3.388 3.199 3.478 . 0 0 "[ . 1 . ]" 1
23 1 3 LYS HA 1 4 LYS HA . . 4.410 4.427 4.368 4.472 0.062 4 0 "[ . 1 . ]" 1
24 1 3 LYS HA 1 64 THR MG . . 2.430 2.089 1.954 2.197 . 0 0 "[ . 1 . ]" 1
25 1 3 LYS QB 1 3 LYS QE . . 4.380 2.100 2.010 2.200 . 0 0 "[ . 1 . ]" 1
26 1 3 LYS QB 1 4 LYS H . . 3.980 3.171 2.963 3.444 . 0 0 "[ . 1 . ]" 1
27 1 3 LYS QB 1 64 THR HG1 . . 4.410 2.008 1.903 2.171 . 0 0 "[ . 1 . ]" 1
28 1 4 LYS H 1 4 LYS HA . . 2.940 2.920 2.903 2.939 . 0 0 "[ . 1 . ]" 1
29 1 4 LYS H 1 6 PHE QE . . 5.560 4.107 3.555 5.204 . 0 0 "[ . 1 . ]" 1
30 1 4 LYS H 1 62 THR MG . . 3.640 3.591 3.452 3.829 0.189 6 0 "[ . 1 . ]" 1
31 1 4 LYS H 1 63 ILE H . . 2.900 3.582 3.345 3.799 0.899 9 15 "[-*******+*** ***]" 1
32 1 4 LYS H 1 63 ILE O . . 2.300 1.498 1.370 1.676 . 0 0 "[ . 1 . ]" 1
33 1 4 LYS HA 1 4 LYS HB2 . . 2.670 2.541 2.507 2.584 . 0 0 "[ . 1 . ]" 1
34 1 4 LYS HA 1 4 LYS HB3 . . 3.030 3.027 3.018 3.032 0.002 10 0 "[ . 1 . ]" 1
35 1 4 LYS HA 1 4 LYS QD . . 3.230 1.953 1.896 2.026 . 0 0 "[ . 1 . ]" 1
36 1 4 LYS HA 1 4 LYS QE . . 3.940 3.791 3.678 3.904 . 0 0 "[ . 1 . ]" 1
37 1 4 LYS HA 1 4 LYS QG . . 3.140 2.704 2.645 2.779 . 0 0 "[ . 1 . ]" 1
38 1 4 LYS HA 1 5 GLU H . . 2.260 2.180 2.177 2.184 . 0 0 "[ . 1 . ]" 1
39 1 4 LYS QB 1 6 PHE QE . . 6.230 2.113 1.812 2.847 . 0 0 "[ . 1 . ]" 1
40 1 4 LYS QB 1 6 PHE HZ . . 3.830 2.573 2.370 2.864 . 0 0 "[ . 1 . ]" 1
41 1 4 LYS QE 1 6 PHE QE . . 6.540 2.972 2.305 3.391 . 0 0 "[ . 1 . ]" 1
42 1 4 LYS QG 1 5 GLU H . . 3.830 3.224 3.131 3.303 . 0 0 "[ . 1 . ]" 1
43 1 4 LYS O 1 63 ILE H . . 2.300 1.567 1.461 1.738 . 0 0 "[ . 1 . ]" 1
44 1 5 GLU H 1 5 GLU HA . . 2.710 2.861 2.850 2.878 0.168 12 0 "[ . 1 . ]" 1
45 1 5 GLU H 1 5 GLU QB . . 3.420 2.513 2.467 2.539 . 0 0 "[ . 1 . ]" 1
46 1 5 GLU H 1 5 GLU QG . . 3.870 2.626 2.437 2.740 . 0 0 "[ . 1 . ]" 1
47 1 5 GLU H 1 6 PHE QD . . 5.840 4.702 4.328 4.969 . 0 0 "[ . 1 . ]" 1
48 1 5 GLU HA 1 5 GLU HB2 . . 2.940 3.048 3.046 3.051 0.111 12 0 "[ . 1 . ]" 1
49 1 5 GLU HA 1 5 GLU QB . . 2.730 2.352 2.341 2.375 . 0 0 "[ . 1 . ]" 1
50 1 5 GLU HA 1 5 GLU HB3 . . 2.870 2.447 2.432 2.477 . 0 0 "[ . 1 . ]" 1
51 1 5 GLU HA 1 5 GLU QG . . 2.410 2.411 2.368 2.452 0.042 1 0 "[ . 1 . ]" 1
52 1 5 GLU HA 1 6 PHE QD . . 4.630 3.435 2.674 4.419 . 0 0 "[ . 1 . ]" 1
53 1 5 GLU HA 1 6 PHE QE . . 5.470 4.485 3.910 5.287 . 0 0 "[ . 1 . ]" 1
54 1 5 GLU HA 1 62 THR HA . . 1.730 1.646 1.582 1.693 . 0 0 "[ . 1 . ]" 1
55 1 5 GLU QB 1 6 PHE H . . 3.210 2.676 2.499 2.898 . 0 0 "[ . 1 . ]" 1
56 1 5 GLU HB3 1 6 PHE H . . 2.610 2.743 2.554 2.983 0.373 11 0 "[ . 1 . ]" 1
57 1 6 PHE H 1 6 PHE HA . . 2.800 2.876 2.841 2.905 0.105 15 0 "[ . 1 . ]" 1
58 1 6 PHE H 1 6 PHE HB2 . . 2.770 2.816 2.696 2.915 0.145 8 0 "[ . 1 . ]" 1
59 1 6 PHE H 1 6 PHE QB . . 3.400 2.750 2.642 2.839 . 0 0 "[ . 1 . ]" 1
60 1 6 PHE H 1 6 PHE HB3 . . 3.900 3.857 3.792 3.911 0.011 8 0 "[ . 1 . ]" 1
61 1 6 PHE H 1 6 PHE QD . . 4.690 3.315 2.743 3.798 . 0 0 "[ . 1 . ]" 1
62 1 6 PHE H 1 6 PHE QE . . 6.220 5.180 4.869 5.404 . 0 0 "[ . 1 . ]" 1
63 1 6 PHE H 1 61 VAL O . . 2.300 1.640 1.569 1.775 . 0 0 "[ . 1 . ]" 1
64 1 6 PHE H 1 62 THR HA . . 2.560 2.058 1.879 2.203 . 0 0 "[ . 1 . ]" 1
65 1 6 PHE HA 1 6 PHE HB2 . . 3.070 3.079 3.078 3.080 0.010 15 0 "[ . 1 . ]" 1
66 1 6 PHE HA 1 6 PHE QB . . 2.690 2.425 2.408 2.444 . 0 0 "[ . 1 . ]" 1
67 1 6 PHE HA 1 6 PHE HB3 . . 2.670 2.538 2.515 2.564 . 0 0 "[ . 1 . ]" 1
68 1 6 PHE HA 1 6 PHE QD . . 4.070 2.740 2.069 3.181 . 0 0 "[ . 1 . ]" 1
69 1 6 PHE HA 1 6 PHE QE . . 4.850 4.677 4.413 4.850 0.000 12 0 "[ . 1 . ]" 1
70 1 6 PHE QB 1 7 HIS H . . 3.470 2.099 2.029 2.179 . 0 0 "[ . 1 . ]" 1
71 1 6 PHE QB 1 8 ILE MD . . 5.460 3.772 3.724 3.847 . 0 0 "[ . 1 . ]" 1
72 1 6 PHE QB 1 61 VAL QG . . 7.950 2.733 2.095 2.905 . 0 0 "[ . 1 . ]" 1
73 1 6 PHE QB 1 81 LEU MD1 . . 5.650 1.847 1.755 1.988 . 0 0 "[ . 1 . ]" 1
74 1 6 PHE QB 1 81 LEU QD . . 6.310 1.845 1.753 1.986 . 0 0 "[ . 1 . ]" 1
75 1 6 PHE QB 1 81 LEU MD2 . . 5.650 4.263 4.161 4.423 . 0 0 "[ . 1 . ]" 1
76 1 6 PHE QD 1 7 HIS H . . 4.900 3.813 3.724 3.892 . 0 0 "[ . 1 . ]" 1
77 1 6 PHE QD 1 62 THR HA . . 4.560 3.457 2.637 4.594 0.034 11 0 "[ . 1 . ]" 1
78 1 6 PHE QD 1 63 ILE H . . 5.100 2.710 2.108 3.823 . 0 0 "[ . 1 . ]" 1
79 1 6 PHE QD 1 63 ILE HB . . 3.990 2.188 1.939 2.453 . 0 0 "[ . 1 . ]" 1
80 1 6 PHE QD 1 63 ILE MG . . 5.170 3.172 2.841 3.415 . 0 0 "[ . 1 . ]" 1
81 1 6 PHE QD 1 78 VAL MG1 . . 6.170 3.771 3.475 4.090 . 0 0 "[ . 1 . ]" 1
82 1 6 PHE QD 1 78 VAL QG . . 6.660 3.570 3.343 3.769 . 0 0 "[ . 1 . ]" 1
83 1 6 PHE QD 1 81 LEU QB . . 6.070 3.221 2.468 3.659 . 0 0 "[ . 1 . ]" 1
84 1 6 PHE QD 1 81 LEU QD . . 6.040 2.538 1.885 2.985 . 0 0 "[ . 1 . ]" 1
85 1 6 PHE QD 1 87 ALA MB . . 3.990 3.188 2.642 3.570 . 0 0 "[ . 1 . ]" 1
86 1 6 PHE QE 1 63 ILE HB . . 4.110 2.610 2.116 3.256 . 0 0 "[ . 1 . ]" 1
87 1 6 PHE QE 1 63 ILE QG . . 5.890 3.926 3.427 4.227 . 0 0 "[ . 1 . ]" 1
88 1 6 PHE QE 1 63 ILE MG . . 5.530 1.753 1.706 1.909 . 0 0 "[ . 1 . ]" 1
89 1 6 PHE QE 1 74 MET ME . . 4.920 5.630 4.179 6.643 1.723 6 11 "[****-+ *1****. ]" 1
90 1 6 PHE QE 1 77 ILE HB . . 5.250 5.115 4.261 5.526 0.276 12 0 "[ . 1 . ]" 1
91 1 6 PHE QE 1 77 ILE MG . . 5.170 2.725 1.833 3.139 . 0 0 "[ . 1 . ]" 1
92 1 6 PHE QE 1 78 VAL H . . 5.520 4.221 3.448 4.560 . 0 0 "[ . 1 . ]" 1
93 1 6 PHE QE 1 78 VAL HA . . 4.560 2.735 2.119 3.222 . 0 0 "[ . 1 . ]" 1
94 1 6 PHE QE 1 78 VAL MG1 . . 5.620 2.017 1.733 2.613 . 0 0 "[ . 1 . ]" 1
95 1 6 PHE QE 1 78 VAL QG . . 5.790 1.903 1.719 2.257 . 0 0 "[ . 1 . ]" 1
96 1 6 PHE QE 1 78 VAL MG2 . . 5.620 2.713 2.234 2.970 . 0 0 "[ . 1 . ]" 1
97 1 6 PHE QE 1 81 LEU QD . . 8.260 3.724 3.399 3.938 . 0 0 "[ . 1 . ]" 1
98 1 6 PHE HZ 1 74 MET QB . . 4.560 4.078 3.610 4.507 . 0 0 "[ . 1 . ]" 1
99 1 6 PHE HZ 1 78 VAL H . . 3.360 4.045 3.726 4.629 1.269 9 13 "[* **** *+1*-****]" 1
100 1 6 PHE HZ 1 78 VAL HA . . 2.270 2.904 2.650 3.189 0.919 8 12 "[*** ** +** -***]" 1
101 1 6 PHE HZ 1 78 VAL MG1 . . 2.040 2.130 1.790 2.705 0.665 10 1 "[ . + . ]" 1
102 1 6 PHE HZ 1 78 VAL QG . . 3.450 1.680 1.604 1.835 . 0 0 "[ . 1 . ]" 1
103 1 6 PHE O 1 61 VAL H . . 2.300 1.815 1.648 1.918 . 0 0 "[ . 1 . ]" 1
104 1 7 HIS HA 1 7 HIS QB . . 2.760 2.180 2.170 2.188 . 0 0 "[ . 1 . ]" 1
105 1 7 HIS HA 1 7 HIS HB3 . . 2.990 2.937 2.920 2.948 . 0 0 "[ . 1 . ]" 1
106 1 7 HIS HA 1 7 HIS HD2 . . 5.000 4.097 4.052 4.159 . 0 0 "[ . 1 . ]" 1
107 1 7 HIS HA 1 60 ASP HA . . 1.900 1.539 1.468 1.684 . 0 0 "[ . 1 . ]" 1
108 1 7 HIS HA 1 60 ASP QB . . 3.020 2.737 2.592 2.883 . 0 0 "[ . 1 . ]" 1
109 1 7 HIS QB 1 7 HIS HD2 . . 3.450 3.071 3.043 3.092 . 0 0 "[ . 1 . ]" 1
110 1 7 HIS QB 1 8 ILE H . . 5.140 3.573 3.465 3.635 . 0 0 "[ . 1 . ]" 1
111 1 7 HIS QB 1 60 ASP HA . . 2.840 2.421 2.226 2.604 . 0 0 "[ . 1 . ]" 1
112 1 7 HIS HD2 1 9 VAL MG1 . . 2.930 1.622 1.576 1.697 . 0 0 "[ . 1 . ]" 1
113 1 7 HIS HD2 1 9 VAL QG . . 3.540 1.620 1.573 1.694 . 0 0 "[ . 1 . ]" 1
114 1 7 HIS HE1 1 9 VAL HA . . 3.600 4.954 4.351 5.085 1.485 4 16 [***+**********-*] 1
115 1 7 HIS HE1 1 9 VAL QG . . 6.770 4.114 4.060 4.155 . 0 0 "[ . 1 . ]" 1
116 1 7 HIS HE1 1 58 GLY QA . . 2.480 2.995 2.605 3.262 0.782 10 10 "[ -** * + *****]" 1
117 1 8 ILE H 1 8 ILE HA . . 2.930 2.809 2.791 2.846 . 0 0 "[ . 1 . ]" 1
118 1 8 ILE H 1 8 ILE HB . . 3.240 2.416 2.372 2.457 . 0 0 "[ . 1 . ]" 1
119 1 8 ILE H 1 8 ILE QG . . 4.310 2.309 2.234 2.407 . 0 0 "[ . 1 . ]" 1
120 1 8 ILE H 1 59 SER H . . 3.960 4.608 4.368 4.846 0.886 12 14 "[ ****** *-*+****]" 1
121 1 8 ILE HA 1 8 ILE HB . . 3.020 3.020 3.019 3.021 0.001 7 0 "[ . 1 . ]" 1
122 1 8 ILE HA 1 8 ILE MD . . 2.820 1.834 1.788 1.884 . 0 0 "[ . 1 . ]" 1
123 1 8 ILE HA 1 8 ILE QG . . 3.560 3.094 3.079 3.113 . 0 0 "[ . 1 . ]" 1
124 1 8 ILE HA 1 10 ALA H . . 2.950 3.385 3.223 3.564 0.614 16 2 "[ - . 1 .+]" 1
125 1 8 ILE HB 1 59 SER H . . 2.520 2.766 2.612 2.970 0.450 12 0 "[ . 1 . ]" 1
126 1 8 ILE HB 1 61 VAL QG . . 6.020 4.061 3.760 4.218 . 0 0 "[ . 1 . ]" 1
127 1 8 ILE MD 1 81 LEU QD . . 7.530 2.863 2.741 3.066 . 0 0 "[ . 1 . ]" 1
128 1 8 ILE MD 1 86 LEU QB . . 4.990 3.033 2.819 3.632 . 0 0 "[ . 1 . ]" 1
129 1 8 ILE QG 1 61 VAL H . . 3.910 4.230 4.111 4.406 0.496 12 0 "[ . 1 . ]" 1
130 1 8 ILE QG 1 86 LEU QD . . 6.260 3.362 3.060 3.674 . 0 0 "[ . 1 . ]" 1
131 1 8 ILE MG 1 10 ALA H . . 3.390 2.106 1.960 2.229 . 0 0 "[ . 1 . ]" 1
132 1 8 ILE MG 1 11 GLU H . . 3.710 2.251 1.942 4.427 0.717 15 1 "[ . 1 + ]" 1
133 1 8 ILE MG 1 12 THR H . . 4.250 3.368 3.225 4.026 . 0 0 "[ . 1 . ]" 1
134 1 8 ILE MG 1 13 GLY H . . 4.450 3.500 3.341 3.661 . 0 0 "[ . 1 . ]" 1
135 1 8 ILE MG 1 14 ILE HA . . 5.280 4.612 4.494 4.838 . 0 0 "[ . 1 . ]" 1
136 1 9 VAL H 1 9 VAL HA . . 2.600 2.937 2.910 2.940 0.340 1 0 "[ . 1 . ]" 1
137 1 9 VAL H 1 9 VAL HB . . 3.540 3.691 3.567 3.738 0.198 3 0 "[ . 1 . ]" 1
138 1 9 VAL H 1 10 ALA H . . 2.470 2.040 1.883 2.509 0.039 15 0 "[ . 1 . ]" 1
139 1 9 VAL H 1 87 ALA HA . . 2.470 2.431 2.124 2.702 0.232 4 0 "[ . 1 . ]" 1
140 1 9 VAL HA 1 9 VAL HB . . 2.600 2.512 2.500 2.530 . 0 0 "[ . 1 . ]" 1
141 1 9 VAL HA 1 10 ALA H . . 3.010 3.235 3.086 3.292 0.282 7 0 "[ . 1 . ]" 1
142 1 9 VAL HA 1 58 GLY QA . . 4.170 2.802 2.604 2.897 . 0 0 "[ . 1 . ]" 1
143 1 9 VAL QG 1 86 LEU HA . . 5.640 3.466 3.135 3.697 . 0 0 "[ . 1 . ]" 1
144 1 9 VAL QG 1 87 ALA H . . 6.540 2.494 1.943 3.264 . 0 0 "[ . 1 . ]" 1
145 1 9 VAL QG 1 87 ALA HA . . 3.290 2.148 2.042 2.335 . 0 0 "[ . 1 . ]" 1
146 1 9 VAL QG 1 88 GLU QG . . 7.480 2.009 1.619 2.595 . 0 0 "[ . 1 . ]" 1
147 1 9 VAL MG1 1 88 GLU H . . 3.920 2.557 2.312 2.898 . 0 0 "[ . 1 . ]" 1
148 1 9 VAL MG2 1 88 GLU H . . 3.920 3.186 3.025 3.337 . 0 0 "[ . 1 . ]" 1
149 1 10 ALA H 1 10 ALA HA . . 2.840 2.902 2.877 2.939 0.099 15 0 "[ . 1 . ]" 1
150 1 10 ALA H 1 10 ALA MB . . 3.220 2.160 2.011 2.500 . 0 0 "[ . 1 . ]" 1
151 1 10 ALA H 1 86 LEU HA . . 2.720 2.682 2.221 3.166 0.446 16 0 "[ . 1 . ]" 1
152 1 10 ALA HA 1 10 ALA MB . . 2.590 2.139 2.116 2.151 . 0 0 "[ . 1 . ]" 1
153 1 10 ALA HA 1 11 GLU QG . . 2.960 3.435 3.330 3.880 0.920 15 2 "[ . 1 - + ]" 1
154 1 10 ALA MB 1 12 THR H . . 4.130 2.468 2.324 2.561 . 0 0 "[ . 1 . ]" 1
155 1 11 GLU H 1 11 GLU HA . . 2.820 2.222 2.184 2.763 . 0 0 "[ . 1 . ]" 1
156 1 11 GLU H 1 11 GLU QB . . 3.440 2.843 2.401 2.901 . 0 0 "[ . 1 . ]" 1
157 1 11 GLU HA 1 56 GLY QA . . 4.530 3.462 3.205 3.667 . 0 0 "[ . 1 . ]" 1
158 1 12 THR H 1 12 THR HA . . 2.920 2.847 2.639 2.889 . 0 0 "[ . 1 . ]" 1
159 1 12 THR HA 1 12 THR HB . . 2.330 2.738 2.596 2.977 0.647 7 3 "[ *. + 1 - ]" 1
160 1 13 GLY QA 1 14 ILE H . . 3.110 2.916 2.653 2.988 . 0 0 "[ . 1 . ]" 1
161 1 13 GLY QA 1 55 VAL QG . . 8.490 4.903 4.810 5.023 . 0 0 "[ . 1 . ]" 1
162 1 14 ILE H 1 14 ILE HA . . 2.920 2.253 2.215 2.410 . 0 0 "[ . 1 . ]" 1
163 1 14 ILE H 1 14 ILE MD . . 4.540 1.615 1.569 1.662 . 0 0 "[ . 1 . ]" 1
164 1 14 ILE HA 1 14 ILE HB . . 2.890 3.000 2.979 3.017 0.127 14 0 "[ . 1 . ]" 1
165 1 14 ILE HA 1 14 ILE MG . . 3.510 2.566 2.509 2.641 . 0 0 "[ . 1 . ]" 1
166 1 15 HIS H 1 15 HIS HA . . 2.920 2.912 2.905 2.918 . 0 0 "[ . 1 . ]" 1
167 1 15 HIS H 1 18 PRO QG . . 4.740 1.529 1.350 1.785 . 0 0 "[ . 1 . ]" 1
168 1 15 HIS H 1 19 ALA H . . 3.730 2.867 2.784 2.965 . 0 0 "[ . 1 . ]" 1
169 1 15 HIS HA 1 15 HIS HB2 . . 2.830 2.635 2.621 2.647 . 0 0 "[ . 1 . ]" 1
170 1 15 HIS HA 1 15 HIS QB . . 2.650 2.148 2.146 2.150 . 0 0 "[ . 1 . ]" 1
171 1 15 HIS QB 1 16 ALA H . . 2.800 2.147 2.071 2.269 . 0 0 "[ . 1 . ]" 1
172 1 15 HIS QB 1 16 ALA MB . . 4.430 3.358 3.242 3.446 . 0 0 "[ . 1 . ]" 1
173 1 15 HIS HB2 1 15 HIS HD2 . . 4.000 3.916 3.900 3.933 . 0 0 "[ . 1 . ]" 1
174 1 15 HIS HB2 1 16 ALA H . . 2.800 2.172 2.091 2.303 . 0 0 "[ . 1 . ]" 1
175 1 15 HIS HD2 1 18 PRO QD . . 3.330 3.811 3.670 3.874 0.544 12 8 "[*** .* *- + * ]" 1
176 1 15 HIS HD2 1 19 ALA MB . . 5.000 5.506 5.423 5.575 0.575 9 8 "[ -*.** +1* *.*]" 1
177 1 15 HIS HE1 1 16 ALA MB . . 4.740 6.217 6.014 6.440 1.700 12 16 [***-*******+****] 1
178 1 15 HIS HE1 1 17 ARG HA . . 3.100 5.139 5.008 5.241 2.141 8 16 [*******+*****-**] 1
179 1 15 HIS HE1 1 17 ARG QB . . 2.420 2.229 2.109 2.317 . 0 0 "[ . 1 . ]" 1
180 1 15 HIS HE1 1 17 ARG HE . . 3.270 3.579 3.470 3.901 0.631 14 2 "[ . 1- +. ]" 1
181 1 15 HIS HE1 1 18 PRO QD . . 2.900 2.100 2.045 2.139 . 0 0 "[ . 1 . ]" 1
182 1 16 ALA H 1 16 ALA HA . . 2.910 2.677 2.673 2.685 . 0 0 "[ . 1 . ]" 1
183 1 16 ALA H 1 16 ALA MB . . 3.550 2.059 1.961 2.182 . 0 0 "[ . 1 . ]" 1
184 1 16 ALA H 1 19 ALA MB . . 4.760 3.341 3.306 3.394 . 0 0 "[ . 1 . ]" 1
185 1 16 ALA MB 1 17 ARG H . . 3.500 2.795 2.707 2.876 . 0 0 "[ . 1 . ]" 1
186 1 17 ARG H 1 17 ARG HA . . 2.820 2.775 2.759 2.792 . 0 0 "[ . 1 . ]" 1
187 1 17 ARG H 1 17 ARG QD . . 4.340 2.258 2.119 2.911 . 0 0 "[ . 1 . ]" 1
188 1 17 ARG H 1 18 PRO QD . . 4.230 2.285 2.190 2.383 . 0 0 "[ . 1 . ]" 1
189 1 18 PRO HA 1 21 LEU QB . . 2.810 2.031 1.907 2.158 . 0 0 "[ . 1 . ]" 1
190 1 18 PRO HA 1 21 LEU HB3 . . 2.230 2.486 1.962 2.709 0.479 5 0 "[ . 1 . ]" 1
191 1 18 PRO HA 1 21 LEU QD . . 5.820 2.699 2.525 2.864 . 0 0 "[ . 1 . ]" 1
192 1 18 PRO QB 1 19 ALA H . . 4.790 3.332 3.289 3.376 . 0 0 "[ . 1 . ]" 1
193 1 18 PRO QB 1 22 LEU QD . . 7.480 3.272 3.076 3.425 . 0 0 "[ . 1 . ]" 1
194 1 18 PRO QD 1 19 ALA H . . 4.620 2.247 2.238 2.258 . 0 0 "[ . 1 . ]" 1
195 1 18 PRO QD 1 21 LEU QB . . 5.830 4.555 4.469 4.685 . 0 0 "[ . 1 . ]" 1
196 1 19 ALA H 1 19 ALA HA . . 2.700 2.781 2.767 2.803 0.103 12 0 "[ . 1 . ]" 1
197 1 19 ALA HA 1 22 LEU QD . . 6.000 2.219 2.045 2.563 . 0 0 "[ . 1 . ]" 1
198 1 19 ALA MB 1 22 LEU QD . . 6.740 3.472 3.369 3.565 . 0 0 "[ . 1 . ]" 1
199 1 19 ALA O 1 23 VAL H . . 1.900 2.275 2.244 2.298 0.398 13 0 "[ . 1 . ]" 1
200 1 19 ALA O 1 23 VAL N . . 2.900 3.244 3.168 3.294 0.394 13 0 "[ . 1 . ]" 1
201 1 20 THR H 1 20 THR HA . . 2.480 2.856 2.850 2.863 0.383 12 0 "[ . 1 . ]" 1
202 1 20 THR H 1 20 THR HB . . 3.340 2.844 2.790 2.876 . 0 0 "[ . 1 . ]" 1
203 1 20 THR H 1 20 THR MG . . 4.140 3.533 3.502 3.575 . 0 0 "[ . 1 . ]" 1
204 1 20 THR HA 1 20 THR HB . . 3.040 3.004 2.996 3.017 . 0 0 "[ . 1 . ]" 1
205 1 20 THR HA 1 20 THR MG . . 3.640 2.164 2.062 2.236 . 0 0 "[ . 1 . ]" 1
206 1 20 THR HA 1 23 VAL QG . . 6.400 1.492 1.383 1.570 . 0 0 "[ . 1 . ]" 1
207 1 20 THR HB 1 21 LEU H . . 2.620 2.906 2.800 3.030 0.410 8 0 "[ . 1 . ]" 1
208 1 20 THR HB 1 24 GLN QE . . 3.930 4.858 3.027 6.157 2.227 11 10 "[* * ** -+ ****]" 1
209 1 20 THR MG 1 24 GLN QB . . 5.170 2.329 2.062 2.463 . 0 0 "[ . 1 . ]" 1
210 1 20 THR O 1 24 GLN H . . 1.900 1.177 1.098 1.274 . 0 0 "[ . 1 . ]" 1
211 1 20 THR O 1 24 GLN N . . 2.900 2.128 2.082 2.181 . 0 0 "[ . 1 . ]" 1
212 1 21 LEU H 1 21 LEU HA . . 2.740 2.677 2.674 2.690 . 0 0 "[ . 1 . ]" 1
213 1 21 LEU H 1 22 LEU H . . 3.130 3.062 3.007 3.116 . 0 0 "[ . 1 . ]" 1
214 1 21 LEU H 1 24 GLN QB . . 4.810 4.391 4.266 4.517 . 0 0 "[ . 1 . ]" 1
215 1 21 LEU QD 1 84 GLU QG . . 7.450 1.648 1.583 1.690 . 0 0 "[ . 1 . ]" 1
216 1 21 LEU O 1 25 THR H . . 1.900 2.242 2.225 2.271 0.371 6 0 "[ . 1 . ]" 1
217 1 21 LEU O 1 25 THR N . . 2.900 3.067 3.022 3.114 0.214 7 0 "[ . 1 . ]" 1
218 1 22 LEU H 1 22 LEU HA . . 2.900 2.837 2.823 2.850 . 0 0 "[ . 1 . ]" 1
219 1 22 LEU H 1 22 LEU QB . . 3.870 2.691 2.627 2.731 . 0 0 "[ . 1 . ]" 1
220 1 22 LEU H 1 22 LEU QD . . 4.940 2.468 2.231 2.650 . 0 0 "[ . 1 . ]" 1
221 1 22 LEU HA 1 22 LEU MD2 . . 4.280 3.762 3.636 3.953 . 0 0 "[ . 1 . ]" 1
222 1 22 LEU HA 1 25 THR HB . . 1.910 2.804 2.669 2.980 1.070 15 16 [********-*****+*] 1
223 1 22 LEU QB 1 23 VAL H . . 4.280 3.145 2.955 3.275 . 0 0 "[ . 1 . ]" 1
224 1 22 LEU HG 1 23 VAL H . . 2.570 1.908 1.809 1.946 . 0 0 "[ . 1 . ]" 1
225 1 22 LEU O 1 26 ALA H . . 1.900 1.528 1.358 1.656 . 0 0 "[ . 1 . ]" 1
226 1 22 LEU O 1 26 ALA N . . 2.900 2.377 2.279 2.445 . 0 0 "[ . 1 . ]" 1
227 1 23 VAL H 1 23 VAL MG1 . . 3.740 1.766 1.581 1.967 . 0 0 "[ . 1 . ]" 1
228 1 23 VAL H 1 23 VAL QG . . 4.020 1.758 1.573 1.960 . 0 0 "[ . 1 . ]" 1
229 1 23 VAL H 1 23 VAL MG2 . . 4.260 3.215 2.779 3.705 . 0 0 "[ . 1 . ]" 1
230 1 23 VAL HA 1 23 VAL HB . . 2.390 2.307 2.244 2.390 . 0 0 "[ . 1 . ]" 1
231 1 23 VAL QG 1 34 ASN HA . . 6.440 5.757 5.475 5.975 . 0 0 "[ . 1 . ]" 1
232 1 23 VAL QG 1 44 LEU HG . . 5.450 4.728 4.533 5.231 . 0 0 "[ . 1 . ]" 1
233 1 24 GLN H 1 24 GLN QG . . 3.500 2.443 2.297 2.612 . 0 0 "[ . 1 . ]" 1
234 1 24 GLN QB 1 25 THR H . . 3.600 3.514 3.498 3.531 . 0 0 "[ . 1 . ]" 1
235 1 24 GLN QG 1 25 THR HB . . 4.190 2.723 2.645 2.794 . 0 0 "[ . 1 . ]" 1
236 1 25 THR H 1 25 THR HA . . 2.770 2.898 2.895 2.904 0.134 15 0 "[ . 1 . ]" 1
237 1 25 THR H 1 25 THR HB . . 2.190 2.045 2.037 2.055 . 0 0 "[ . 1 . ]" 1
238 1 25 THR H 1 25 THR MG . . 4.180 3.368 3.294 3.422 . 0 0 "[ . 1 . ]" 1
239 1 25 THR H 1 26 ALA H . . 2.390 2.313 2.297 2.333 . 0 0 "[ . 1 . ]" 1
240 1 25 THR HA 1 25 THR MG . . 3.470 2.798 2.755 2.845 . 0 0 "[ . 1 . ]" 1
241 1 25 THR HA 1 28 LYS QE . . 4.420 3.334 2.800 3.973 . 0 0 "[ . 1 . ]" 1
242 1 25 THR HB 1 77 ILE MD . . 3.420 2.912 2.721 3.105 . 0 0 "[ . 1 . ]" 1
243 1 25 THR MG 1 26 ALA H . . 3.700 3.109 2.880 3.299 . 0 0 "[ . 1 . ]" 1
244 1 25 THR MG 1 29 PHE QE . . 5.040 2.672 2.425 2.830 . 0 0 "[ . 1 . ]" 1
245 1 26 ALA H 1 26 ALA HA . . 2.820 2.884 2.847 2.896 0.076 8 0 "[ . 1 . ]" 1
246 1 26 ALA H 1 26 ALA MB . . 3.200 2.134 2.097 2.179 . 0 0 "[ . 1 . ]" 1
247 1 26 ALA H 1 27 SER H . . 2.250 2.306 2.244 2.477 0.227 15 0 "[ . 1 . ]" 1
248 1 26 ALA H 1 77 ILE MD . . 3.800 3.195 3.038 3.289 . 0 0 "[ . 1 . ]" 1
249 1 26 ALA HA 1 29 PHE QD . . 3.990 2.621 2.459 2.808 . 0 0 "[ . 1 . ]" 1
250 1 26 ALA HA 1 77 ILE MD . . 2.850 3.834 3.731 3.914 1.064 16 16 [**************-+] 1
251 1 26 ALA MB 1 29 PHE QE . . 4.500 3.415 3.357 3.483 . 0 0 "[ . 1 . ]" 1
252 1 27 SER H 1 27 SER HA . . 2.670 2.883 2.877 2.894 0.224 10 0 "[ . 1 . ]" 1
253 1 27 SER HA 1 28 LYS H . . 2.840 2.814 2.728 3.151 0.311 15 0 "[ . 1 . ]" 1
254 1 27 SER HA 1 33 ILE MG . . 2.850 3.402 3.285 3.491 0.641 10 14 "[ ****-***+****.*]" 1
255 1 28 LYS H 1 28 LYS HA . . 2.930 2.893 2.861 2.930 . 0 0 "[ . 1 . ]" 1
256 1 28 LYS H 1 28 LYS QB . . 3.550 3.198 2.237 3.320 . 0 0 "[ . 1 . ]" 1
257 1 28 LYS QB 1 28 LYS QE . . 4.510 2.343 1.947 3.020 . 0 0 "[ . 1 . ]" 1
258 1 28 LYS QB 1 29 PHE QE . . 6.330 4.650 4.227 4.749 . 0 0 "[ . 1 . ]" 1
259 1 28 LYS QD 1 29 PHE HZ . . 4.620 2.684 2.517 3.181 . 0 0 "[ . 1 . ]" 1
260 1 29 PHE H 1 29 PHE HA . . 2.910 2.937 2.932 2.938 0.028 9 0 "[ . 1 . ]" 1
261 1 29 PHE H 1 29 PHE QB . . 3.350 2.416 2.388 2.466 . 0 0 "[ . 1 . ]" 1
262 1 29 PHE H 1 30 ASN H . . 2.670 4.454 4.397 4.537 1.867 15 16 [*******-******+*] 1
263 1 29 PHE HA 1 29 PHE QD . . 4.020 2.067 1.994 2.256 . 0 0 "[ . 1 . ]" 1
264 1 29 PHE HA 1 29 PHE QE . . 5.060 4.427 4.385 4.575 . 0 0 "[ . 1 . ]" 1
265 1 29 PHE QB 1 30 ASN H . . 4.260 3.086 2.502 3.286 . 0 0 "[ . 1 . ]" 1
266 1 29 PHE QB 1 31 SER H . . 4.490 2.252 2.210 2.328 . 0 0 "[ . 1 . ]" 1
267 1 29 PHE QB 1 33 ILE MG . . 5.210 2.167 2.020 2.380 . 0 0 "[ . 1 . ]" 1
268 1 29 PHE QB 1 69 ASP HA . . 3.660 4.501 4.357 4.671 1.011 4 16 [***+****-*******] 1
269 1 29 PHE QD 1 69 ASP HA . . 5.070 5.362 5.128 5.585 0.515 6 2 "[ .+ 1 .-]" 1
270 1 29 PHE QD 1 69 ASP QB . . 6.030 3.464 3.272 3.640 . 0 0 "[ . 1 . ]" 1
271 1 29 PHE QD 1 72 GLU QB . . 6.350 4.459 3.981 5.107 . 0 0 "[ . 1 . ]" 1
272 1 29 PHE QD 1 72 GLU QG . . 6.660 4.498 3.015 5.592 . 0 0 "[ . 1 . ]" 1
273 1 29 PHE QD 1 73 GLY H . . 5.670 4.316 4.245 4.394 . 0 0 "[ . 1 . ]" 1
274 1 29 PHE QD 1 77 ILE MD . . 6.130 5.548 5.358 5.755 . 0 0 "[ . 1 . ]" 1
275 1 29 PHE QE 1 73 GLY QA . . 6.490 2.785 2.662 2.904 . 0 0 "[ . 1 . ]" 1
276 1 29 PHE QE 1 76 ALA H . . 5.600 4.000 3.821 4.130 . 0 0 "[ . 1 . ]" 1
277 1 29 PHE QE 1 76 ALA MB . . 3.830 2.621 2.287 2.740 . 0 0 "[ . 1 . ]" 1
278 1 29 PHE QE 1 77 ILE MD . . 6.170 3.994 3.811 4.162 . 0 0 "[ . 1 . ]" 1
279 1 30 ASN H 1 30 ASN HA . . 2.820 2.770 2.692 2.881 0.061 15 0 "[ . 1 . ]" 1
280 1 30 ASN H 1 31 SER H . . 2.550 2.654 2.342 2.767 0.217 16 0 "[ . 1 . ]" 1
281 1 30 ASN H 1 31 SER QB . . 5.460 4.441 3.896 5.033 . 0 0 "[ . 1 . ]" 1
282 1 30 ASN H 1 69 ASP QB . . 5.210 2.787 2.492 3.011 . 0 0 "[ . 1 . ]" 1
283 1 30 ASN QB 1 31 SER H . . 3.580 3.306 3.126 3.434 . 0 0 "[ . 1 . ]" 1
284 1 31 SER H 1 31 SER HA . . 2.860 2.899 2.884 2.913 0.053 9 0 "[ . 1 . ]" 1
285 1 31 SER H 1 31 SER HB2 . . 3.550 2.586 2.158 3.691 0.141 9 0 "[ . 1 . ]" 1
286 1 31 SER H 1 31 SER QB . . 3.370 2.369 2.133 2.886 . 0 0 "[ . 1 . ]" 1
287 1 31 SER H 1 31 SER HB3 . . 3.520 3.322 2.947 3.549 0.029 14 0 "[ . 1 . ]" 1
288 1 31 SER H 1 31 SER HG . . 2.490 3.398 3.170 3.619 1.129 9 16 [********+****-**] 1
289 1 31 SER H 1 69 ASP H . . 3.390 3.384 3.055 3.587 0.197 1 0 "[ . 1 . ]" 1
290 1 31 SER HA 1 31 SER HG . . 3.470 2.830 2.182 4.102 0.632 6 4 "[ .+ *-1 .*]" 1
291 1 31 SER QB 1 66 ASP H . . 4.790 2.909 2.469 3.930 . 0 0 "[ . 1 . ]" 1
292 1 31 SER QB 1 67 GLY H . . 5.350 3.796 3.198 4.126 . 0 0 "[ . 1 . ]" 1
293 1 31 SER QB 1 67 GLY QA . . 4.010 2.740 1.614 3.298 . 0 0 "[ . 1 . ]" 1
294 1 31 SER QB 1 69 ASP H . . 5.160 2.767 1.813 3.267 . 0 0 "[ . 1 . ]" 1
295 1 31 SER HB2 1 31 SER HG . . 2.840 2.396 2.168 2.683 . 0 0 "[ . 1 . ]" 1
296 1 31 SER HB3 1 31 SER HG . . 2.840 2.785 2.559 2.899 0.059 11 0 "[ . 1 . ]" 1
297 1 31 SER HG 1 65 VAL QG . . 6.460 3.639 2.082 4.567 . 0 0 "[ . 1 . ]" 1
298 1 31 SER HG 1 67 GLY QA . . 3.730 2.768 2.078 3.664 . 0 0 "[ . 1 . ]" 1
299 1 31 SER HG 1 69 ASP H . . 2.540 2.228 1.765 3.588 1.048 9 4 "[ .* -+1 .*]" 1
300 1 31 SER HG 1 69 ASP QB . . 4.730 2.628 2.362 2.798 . 0 0 "[ . 1 . ]" 1
301 1 31 SER HG 1 70 GLU H . . 4.070 2.046 1.856 2.490 . 0 0 "[ . 1 . ]" 1
302 1 32 ASP H 1 32 ASP HA . . 2.880 2.877 2.858 2.889 0.009 7 0 "[ . 1 . ]" 1
303 1 32 ASP H 1 66 ASP H . . 3.650 2.375 2.108 3.099 . 0 0 "[ . 1 . ]" 1
304 1 32 ASP H 1 66 ASP O . . 2.540 1.200 1.106 1.422 . 0 0 "[ . 1 . ]" 1
305 1 32 ASP HA 1 33 ILE H . . 2.140 2.381 2.303 2.457 0.317 12 0 "[ . 1 . ]" 1
306 1 32 ASP QB 1 33 ILE H . . 4.450 3.660 3.057 3.895 . 0 0 "[ . 1 . ]" 1
307 1 32 ASP QB 1 66 ASP H . . 4.730 2.492 2.188 2.803 . 0 0 "[ . 1 . ]" 1
308 1 32 ASP O 1 66 ASP H . . 2.300 1.884 1.703 1.953 . 0 0 "[ . 1 . ]" 1
309 1 33 ILE H 1 33 ILE HA . . 2.770 2.893 2.760 2.939 0.169 3 0 "[ . 1 . ]" 1
310 1 33 ILE H 1 33 ILE HB . . 3.730 3.005 2.625 3.518 . 0 0 "[ . 1 . ]" 1
311 1 33 ILE H 1 33 ILE QG . . 4.800 4.194 4.056 4.373 . 0 0 "[ . 1 . ]" 1
312 1 33 ILE H 1 44 LEU QD . . 6.800 4.266 4.166 4.346 . 0 0 "[ . 1 . ]" 1
313 1 33 ILE HA 1 33 ILE HB . . 2.270 2.494 2.453 2.546 0.276 12 0 "[ . 1 . ]" 1
314 1 33 ILE HA 1 33 ILE QG . . 3.810 2.188 2.129 2.248 . 0 0 "[ . 1 . ]" 1
315 1 33 ILE HA 1 33 ILE MG . . 3.710 3.198 3.185 3.205 . 0 0 "[ . 1 . ]" 1
316 1 33 ILE HA 1 34 ASN H . . 2.080 2.188 2.176 2.196 0.116 7 0 "[ . 1 . ]" 1
317 1 33 ILE MD 1 34 ASN HA . . 3.730 3.134 3.056 3.212 . 0 0 "[ . 1 . ]" 1
318 1 34 ASN H 1 34 ASN HA . . 2.850 2.903 2.898 2.914 0.064 9 0 "[ . 1 . ]" 1
319 1 34 ASN H 1 34 ASN QB . . 3.490 2.719 2.657 2.791 . 0 0 "[ . 1 . ]" 1
320 1 34 ASN H 1 64 THR O . . 2.300 2.037 1.996 2.081 . 0 0 "[ . 1 . ]" 1
321 1 34 ASN HA 1 34 ASN HB2 . . 2.700 3.063 3.056 3.065 0.365 5 0 "[ . 1 . ]" 1
322 1 34 ASN HA 1 34 ASN QB . . 2.770 2.386 2.345 2.409 . 0 0 "[ . 1 . ]" 1
323 1 34 ASN HA 1 34 ASN HB3 . . 2.420 2.489 2.436 2.520 0.100 1 0 "[ . 1 . ]" 1
324 1 34 ASN HA 1 35 LEU QB . . 4.800 3.947 3.927 3.967 . 0 0 "[ . 1 . ]" 1
325 1 34 ASN HA 1 43 ASN QB . . 5.360 4.085 3.950 4.207 . 0 0 "[ . 1 . ]" 1
326 1 34 ASN HA 1 44 LEU QB . . 4.610 4.109 4.069 4.172 . 0 0 "[ . 1 . ]" 1
327 1 34 ASN HA 1 44 LEU QD . . 6.290 1.825 1.793 1.858 . 0 0 "[ . 1 . ]" 1
328 1 34 ASN QB 1 35 LEU HA . . 4.380 4.018 3.993 4.030 . 0 0 "[ . 1 . ]" 1
329 1 34 ASN QB 1 42 VAL H . . 3.760 2.999 2.916 3.107 . 0 0 "[ . 1 . ]" 1
330 1 34 ASN O 1 64 THR H . . 2.300 1.830 1.722 1.942 . 0 0 "[ . 1 . ]" 1
331 1 35 LEU H 1 35 LEU HA . . 2.940 2.939 2.938 2.940 . 0 0 "[ . 1 . ]" 1
332 1 35 LEU H 1 35 LEU QB . . 3.080 2.549 2.520 2.628 . 0 0 "[ . 1 . ]" 1
333 1 35 LEU H 1 35 LEU HG . . 3.270 2.975 2.850 3.031 . 0 0 "[ . 1 . ]" 1
334 1 35 LEU H 1 42 VAL O . . 2.300 1.963 1.904 2.019 . 0 0 "[ . 1 . ]" 1
335 1 35 LEU HA 1 35 LEU HB2 . . 2.250 2.212 2.206 2.230 . 0 0 "[ . 1 . ]" 1
336 1 35 LEU HA 1 35 LEU HB3 . . 2.750 2.721 2.672 2.738 . 0 0 "[ . 1 . ]" 1
337 1 35 LEU HA 1 36 GLU H . . 2.310 2.275 2.244 2.316 0.006 16 0 "[ . 1 . ]" 1
338 1 35 LEU HA 1 63 ILE HA . . 2.000 2.054 1.925 2.187 0.187 11 0 "[ . 1 . ]" 1
339 1 35 LEU HA 1 63 ILE MD . . 3.660 2.625 2.452 2.852 . 0 0 "[ . 1 . ]" 1
340 1 35 LEU HA 1 64 THR HG1 . . 3.490 5.367 5.127 5.648 2.158 12 16 [*********-*+****] 1
341 1 35 LEU QD 1 36 GLU H . . 6.280 2.204 2.076 2.286 . 0 0 "[ . 1 . ]" 1
342 1 35 LEU QD 1 36 GLU HA . . 6.250 2.512 2.399 2.671 . 0 0 "[ . 1 . ]" 1
343 1 35 LEU QD 1 37 TYR QB . . 7.490 2.190 2.104 2.408 . 0 0 "[ . 1 . ]" 1
344 1 35 LEU MD1 1 37 TYR HB2 . . 7.380 2.281 2.185 2.476 . 0 0 "[ . 1 . ]" 1
345 1 35 LEU MD1 1 37 TYR HB3 . . 7.380 2.957 2.745 3.576 . 0 0 "[ . 1 . ]" 1
346 1 35 LEU MD2 1 37 TYR HB2 . . 7.380 3.873 3.782 4.010 . 0 0 "[ . 1 . ]" 1
347 1 35 LEU MD2 1 37 TYR HB3 . . 7.380 4.578 4.467 4.838 . 0 0 "[ . 1 . ]" 1
348 1 35 LEU HG 1 36 GLU H . . 2.810 4.302 4.201 4.480 1.670 12 16 [***********+*-**] 1
349 1 35 LEU HG 1 36 GLU HA . . 2.940 4.264 4.181 4.518 1.578 12 16 [***********+*-**] 1
350 1 35 LEU O 1 42 VAL H . . 2.300 1.725 1.510 2.001 . 0 0 "[ . 1 . ]" 1
351 1 36 GLU H 1 36 GLU HA . . 2.700 2.915 2.910 2.918 0.218 5 0 "[ . 1 . ]" 1
352 1 36 GLU H 1 36 GLU QB . . 3.390 2.508 2.464 2.548 . 0 0 "[ . 1 . ]" 1
353 1 36 GLU H 1 61 VAL HB . . 3.540 3.208 3.088 3.496 . 0 0 "[ . 1 . ]" 1
354 1 36 GLU H 1 62 THR H . . 2.870 2.221 2.088 2.297 . 0 0 "[ . 1 . ]" 1
355 1 36 GLU H 1 62 THR HB . . 3.280 3.653 3.517 3.775 0.495 5 0 "[ . 1 . ]" 1
356 1 36 GLU H 1 62 THR O . . 2.300 1.266 1.175 1.411 . 0 0 "[ . 1 . ]" 1
357 1 36 GLU H 1 63 ILE MD . . 4.930 3.747 3.533 3.982 . 0 0 "[ . 1 . ]" 1
358 1 36 GLU HA 1 36 GLU QB . . 2.270 2.352 2.310 2.393 0.123 9 0 "[ . 1 . ]" 1
359 1 36 GLU HA 1 37 TYR H . . 1.960 2.206 2.202 2.247 0.287 12 0 "[ . 1 . ]" 1
360 1 36 GLU HA 1 40 LYS H . . 3.430 3.992 3.245 4.304 0.874 3 14 "[**+***-**1* ****]" 1
361 1 36 GLU HA 1 41 SER QB . . 2.380 3.264 2.551 3.535 1.155 1 15 "[+******* *****-*]" 1
362 1 36 GLU HA 1 53 LEU QD . . 6.030 3.602 3.222 4.178 . 0 0 "[ . 1 . ]" 1
363 1 36 GLU QB 1 62 THR H . . 4.900 2.771 2.582 2.932 . 0 0 "[ . 1 . ]" 1
364 1 36 GLU O 1 62 THR H . . 2.300 1.280 1.181 1.714 . 0 0 "[ . 1 . ]" 1
365 1 37 TYR H 1 37 TYR HA . . 2.910 2.942 2.934 2.944 0.034 4 0 "[ . 1 . ]" 1
366 1 37 TYR H 1 37 TYR HB2 . . 2.720 2.945 2.161 3.114 0.394 9 0 "[ . 1 . ]" 1
367 1 37 TYR H 1 37 TYR QB . . 3.380 2.216 2.107 2.322 . 0 0 "[ . 1 . ]" 1
368 1 37 TYR H 1 37 TYR HB3 . . 2.720 2.363 2.142 3.454 0.734 12 1 "[ . 1 + . ]" 1
369 1 37 TYR H 1 37 TYR QD . . 5.260 4.048 2.888 4.194 . 0 0 "[ . 1 . ]" 1
370 1 37 TYR H 1 40 LYS H . . 2.490 2.855 2.551 3.067 0.577 8 2 "[ - . + 1 . ]" 1
371 1 37 TYR H 1 40 LYS O . . 2.300 1.931 1.877 1.979 . 0 0 "[ . 1 . ]" 1
372 1 37 TYR HA 1 37 TYR HB2 . . 2.580 2.517 2.403 3.069 0.489 12 0 "[ . 1 . ]" 1
373 1 37 TYR HA 1 37 TYR QB . . 2.760 2.389 2.318 2.515 . 0 0 "[ . 1 . ]" 1
374 1 37 TYR HA 1 37 TYR HB3 . . 3.080 3.049 2.671 3.080 . 0 0 "[ . 1 . ]" 1
375 1 37 TYR HA 1 37 TYR QD . . 3.900 2.231 2.147 3.037 . 0 0 "[ . 1 . ]" 1
376 1 37 TYR HA 1 37 TYR QE . . 4.550 4.611 4.398 5.037 0.487 9 0 "[ . 1 . ]" 1
377 1 37 TYR HA 1 38 LYS H . . 2.090 2.220 2.187 2.535 0.445 9 0 "[ . 1 . ]" 1
378 1 37 TYR HA 1 61 VAL HA . . 2.080 1.993 1.872 2.221 0.141 12 0 "[ . 1 . ]" 1
379 1 37 TYR HA 1 61 VAL QG . . 5.370 1.996 1.824 2.276 . 0 0 "[ . 1 . ]" 1
380 1 37 TYR QB 1 38 LYS H . . 3.970 3.816 2.995 3.984 0.014 2 0 "[ . 1 . ]" 1
381 1 37 TYR QB 1 53 LEU QB . . 6.520 2.877 1.888 3.696 . 0 0 "[ . 1 . ]" 1
382 1 37 TYR QB 1 53 LEU QD . . 7.830 1.668 1.478 1.894 . 0 0 "[ . 1 . ]" 1
383 1 37 TYR QB 1 55 VAL QG . . 5.540 2.457 2.301 2.567 . 0 0 "[ . 1 . ]" 1
384 1 37 TYR HB2 1 55 VAL MG1 . . 5.390 2.876 2.410 4.199 . 0 0 "[ . 1 . ]" 1
385 1 37 TYR HB2 1 55 VAL MG2 . . 5.390 2.969 2.772 3.799 . 0 0 "[ . 1 . ]" 1
386 1 37 TYR HB3 1 55 VAL MG2 . . 5.390 3.926 2.749 4.197 . 0 0 "[ . 1 . ]" 1
387 1 37 TYR QD 1 38 LYS H . . 4.760 2.270 1.853 4.255 . 0 0 "[ . 1 . ]" 1
388 1 37 TYR QD 1 38 LYS QB . . 6.680 3.821 2.846 5.364 . 0 0 "[ . 1 . ]" 1
389 1 37 TYR QD 1 50 VAL QG . . 8.790 4.720 3.434 5.873 . 0 0 "[ . 1 . ]" 1
390 1 37 TYR QD 1 53 LEU HA . . 4.900 3.296 2.000 5.308 0.408 12 0 "[ . 1 . ]" 1
391 1 37 TYR QD 1 53 LEU MD1 . . 5.140 2.881 1.768 3.743 . 0 0 "[ . 1 . ]" 1
392 1 37 TYR QD 1 53 LEU QD . . 5.290 2.024 1.733 2.913 . 0 0 "[ . 1 . ]" 1
393 1 37 TYR QD 1 53 LEU MD2 . . 5.140 2.306 1.751 3.723 . 0 0 "[ . 1 . ]" 1
394 1 37 TYR QD 1 55 VAL HA . . 5.000 4.196 3.691 4.512 . 0 0 "[ . 1 . ]" 1
395 1 37 TYR QD 1 55 VAL MG1 . . 5.710 2.563 1.759 3.246 . 0 0 "[ . 1 . ]" 1
396 1 37 TYR QD 1 55 VAL QG . . 6.010 2.403 1.756 2.529 . 0 0 "[ . 1 . ]" 1
397 1 37 TYR QD 1 55 VAL MG2 . . 5.710 3.192 2.102 3.607 . 0 0 "[ . 1 . ]" 1
398 1 37 TYR QD 1 60 ASP H . . 5.470 4.140 3.600 6.700 1.230 12 1 "[ . 1 + . ]" 1
399 1 37 TYR QD 1 61 VAL HA . . 4.410 3.105 2.927 3.799 . 0 0 "[ . 1 . ]" 1
400 1 37 TYR QE 1 38 LYS H . . 5.680 4.075 3.464 6.083 0.403 12 0 "[ . 1 . ]" 1
401 1 37 TYR QE 1 38 LYS QB . . 5.270 4.189 2.887 7.300 2.030 12 1 "[ . 1 + . ]" 1
402 1 37 TYR QE 1 55 VAL HA . . 4.230 3.313 2.670 5.338 1.108 12 1 "[ . 1 + . ]" 1
403 1 37 TYR QE 1 55 VAL MG1 . . 5.440 2.632 2.300 4.413 . 0 0 "[ . 1 . ]" 1
404 1 37 TYR QE 1 55 VAL MG2 . . 5.440 4.018 2.108 4.759 . 0 0 "[ . 1 . ]" 1
405 1 37 TYR QE 1 59 SER HA . . 4.360 4.410 3.673 8.716 4.356 12 1 "[ . 1 + . ]" 1
406 1 37 TYR QE 1 59 SER QB . . 3.980 2.978 2.100 5.897 1.917 12 1 "[ . 1 + . ]" 1
407 1 37 TYR QE 1 60 ASP H . . 5.000 3.429 2.805 7.592 2.592 12 1 "[ . 1 + . ]" 1
408 1 37 TYR QE 1 61 VAL HA . . 5.150 5.169 4.525 5.897 0.747 9 1 "[ . +1 . ]" 1
409 1 37 TYR QE 1 61 VAL QG . . 8.120 3.505 2.154 3.818 . 0 0 "[ . 1 . ]" 1
410 1 37 TYR O 1 40 LYS H . . 2.300 2.027 1.920 2.081 . 0 0 "[ . 1 . ]" 1
411 1 38 LYS H 1 38 LYS HA . . 2.730 2.247 2.207 2.772 0.042 9 0 "[ . 1 . ]" 1
412 1 38 LYS H 1 38 LYS QB . . 3.900 3.299 2.379 3.448 . 0 0 "[ . 1 . ]" 1
413 1 38 LYS H 1 38 LYS QG . . 4.660 2.747 2.204 3.732 . 0 0 "[ . 1 . ]" 1
414 1 38 LYS H 1 39 GLY H . . 2.950 2.699 2.555 3.645 0.695 9 1 "[ . +1 . ]" 1
415 1 38 LYS H 1 40 LYS QB . . 5.880 5.497 5.030 7.740 1.860 9 1 "[ . +1 . ]" 1
416 1 38 LYS H 1 61 VAL HA . . 3.410 3.166 3.042 3.754 0.344 9 0 "[ . 1 . ]" 1
417 1 38 LYS H 1 61 VAL QG . . 6.400 3.368 2.904 3.623 . 0 0 "[ . 1 . ]" 1
418 1 38 LYS HA 1 38 LYS QG . . 3.690 2.493 2.244 3.311 . 0 0 "[ . 1 . ]" 1
419 1 39 GLY H 1 40 LYS H . . 2.490 2.103 1.917 2.311 . 0 0 "[ . 1 . ]" 1
420 1 40 LYS H 1 40 LYS HA . . 2.910 2.896 2.719 2.930 0.020 5 0 "[ . 1 . ]" 1
421 1 40 LYS H 1 40 LYS QB . . 3.340 2.326 2.098 3.460 0.120 9 0 "[ . 1 . ]" 1
422 1 40 LYS H 1 40 LYS QG . . 3.560 3.799 2.740 4.092 0.532 7 2 "[ . + 1 - . ]" 1
423 1 40 LYS HA 1 40 LYS QG . . 3.250 2.424 1.980 3.389 0.139 9 0 "[ . 1 . ]" 1
424 1 40 LYS HA 1 41 SER H . . 1.950 2.233 2.178 2.698 0.748 9 1 "[ . +1 . ]" 1
425 1 40 LYS QE 1 52 SER HG . . 4.000 3.815 2.243 4.324 0.324 16 0 "[ . 1 . ]" 1
426 1 40 LYS QZ 1 53 LEU H . . 4.310 2.668 2.152 3.440 . 0 0 "[ . 1 . ]" 1
427 1 41 SER H 1 41 SER HA . . 2.920 2.905 2.891 2.913 . 0 0 "[ . 1 . ]" 1
428 1 41 SER H 1 41 SER QB . . 3.330 2.482 2.324 2.846 . 0 0 "[ . 1 . ]" 1
429 1 41 SER HA 1 41 SER HB2 . . 2.300 2.421 2.297 2.647 0.347 1 0 "[ . 1 . ]" 1
430 1 41 SER HA 1 41 SER HB3 . . 2.750 2.763 2.591 3.042 0.292 8 0 "[ . 1 . ]" 1
431 1 41 SER HA 1 42 VAL H . . 2.030 2.219 2.215 2.230 0.200 2 0 "[ . 1 . ]" 1
432 1 41 SER HA 1 42 VAL QG . . 6.220 3.238 3.168 3.332 . 0 0 "[ . 1 . ]" 1
433 1 41 SER QB 1 42 VAL H . . 3.870 3.662 3.362 3.979 0.109 2 0 "[ . 1 . ]" 1
434 1 41 SER QB 1 64 THR HG1 . . 4.820 4.294 3.847 5.033 0.213 2 0 "[ . 1 . ]" 1
435 1 42 VAL H 1 42 VAL HA . . 2.740 2.902 2.897 2.907 0.167 5 0 "[ . 1 . ]" 1
436 1 42 VAL H 1 42 VAL HB . . 3.640 3.922 3.904 3.936 0.296 1 0 "[ . 1 . ]" 1
437 1 42 VAL HA 1 42 VAL HB . . 2.450 2.309 2.251 2.376 . 0 0 "[ . 1 . ]" 1
438 1 42 VAL HA 1 43 ASN H . . 2.230 2.309 2.274 2.377 0.147 8 0 "[ . 1 . ]" 1
439 1 42 VAL HB 1 46 SER QB . . 4.220 2.943 2.347 3.189 . 0 0 "[ . 1 . ]" 1
440 1 42 VAL QG 1 43 ASN H . . 6.130 3.187 2.805 3.385 . 0 0 "[ . 1 . ]" 1
441 1 42 VAL QG 1 44 LEU HA . . 5.510 3.259 3.122 3.367 . 0 0 "[ . 1 . ]" 1
442 1 42 VAL QG 1 50 VAL HA . . 5.810 3.281 3.123 3.421 . 0 0 "[ . 1 . ]" 1
443 1 43 ASN H 1 43 ASN HA . . 2.900 2.644 2.626 2.672 . 0 0 "[ . 1 . ]" 1
444 1 43 ASN H 1 43 ASN QB . . 3.200 2.801 2.720 2.834 . 0 0 "[ . 1 . ]" 1
445 1 43 ASN HA 1 44 LEU H . . 2.190 2.375 2.350 2.464 0.274 9 0 "[ . 1 . ]" 1
446 1 43 ASN HA 1 45 LYS H . . 3.170 3.621 3.564 3.702 0.532 9 1 "[ . +1 . ]" 1
447 1 44 LEU H 1 44 LEU HA . . 2.620 2.532 2.427 2.573 . 0 0 "[ . 1 . ]" 1
448 1 44 LEU H 1 44 LEU QD . . 4.530 1.970 1.872 2.181 . 0 0 "[ . 1 . ]" 1
449 1 44 LEU H 1 45 LYS H . . 2.840 3.196 3.120 3.378 0.538 9 1 "[ . +1 . ]" 1
450 1 44 LEU HA 1 45 LYS H . . 2.720 3.593 3.581 3.610 0.890 9 16 [********+*-*****] 1
451 1 44 LEU HA 1 46 SER H . . 2.780 3.275 3.249 3.395 0.615 2 2 "[ + . -1 . ]" 1
452 1 44 LEU QD 1 45 LYS QB . . 6.430 3.241 3.136 3.530 . 0 0 "[ . 1 . ]" 1
453 1 45 LYS H 1 45 LYS HA . . 2.900 2.826 2.798 2.889 . 0 0 "[ . 1 . ]" 1
454 1 45 LYS H 1 45 LYS QB . . 3.300 2.216 2.073 2.592 . 0 0 "[ . 1 . ]" 1
455 1 45 LYS H 1 46 SER H . . 2.630 2.722 2.682 2.821 0.191 2 0 "[ . 1 . ]" 1
456 1 45 LYS HA 1 45 LYS QG . . 3.840 2.569 1.989 3.366 . 0 0 "[ . 1 . ]" 1
457 1 45 LYS QB 1 46 SER QB . . 6.690 4.593 4.344 5.069 . 0 0 "[ . 1 . ]" 1
458 1 46 SER H 1 46 SER HB2 . . 2.720 2.547 2.295 3.109 0.389 2 0 "[ . 1 . ]" 1
459 1 46 SER H 1 46 SER QB . . 3.310 2.260 2.164 2.299 . 0 0 "[ . 1 . ]" 1
460 1 46 SER H 1 46 SER HB3 . . 3.390 2.590 2.208 2.884 . 0 0 "[ . 1 . ]" 1
461 1 46 SER HA 1 47 ILE H . . 3.190 2.436 2.231 2.578 . 0 0 "[ . 1 . ]" 1
462 1 46 SER QB 1 47 ILE H . . 5.410 4.083 3.971 4.115 . 0 0 "[ . 1 . ]" 1
463 1 46 SER QB 1 48 MET H . . 4.410 4.781 4.485 5.422 1.012 2 3 "[-+ .* 1 . ]" 1
464 1 46 SER QB 1 50 VAL H . . 4.260 3.118 2.664 4.040 . 0 0 "[ . 1 . ]" 1
465 1 46 SER HG 1 48 MET QB . . 3.990 4.015 2.378 4.951 0.961 16 7 "[ *** *-1 *.+]" 1
466 1 47 ILE H 1 47 ILE HA . . 2.920 2.677 2.674 2.684 . 0 0 "[ . 1 . ]" 1
467 1 47 ILE H 1 47 ILE HB . . 3.570 2.020 1.997 2.214 . 0 0 "[ . 1 . ]" 1
468 1 47 ILE H 1 47 ILE QG . . 4.390 3.795 3.267 3.904 . 0 0 "[ . 1 . ]" 1
469 1 47 ILE H 1 47 ILE MG . . 4.320 3.157 2.988 3.640 . 0 0 "[ . 1 . ]" 1
470 1 47 ILE HA 1 47 ILE HB . . 3.020 2.768 2.700 2.968 . 0 0 "[ . 1 . ]" 1
471 1 47 ILE HA 1 50 VAL H . . 2.670 3.704 3.535 3.813 1.143 16 16 [*****-*********+] 1
472 1 47 ILE QG 1 48 MET H . . 3.840 4.252 3.998 4.389 0.549 10 1 "[ . + . ]" 1
473 1 48 MET ME 1 48 MET QG . . 3.560 2.386 2.345 2.445 . 0 0 "[ . 1 . ]" 1
474 1 49 GLY QA 1 53 LEU QD . . 7.400 4.429 3.835 4.716 . 0 0 "[ . 1 . ]" 1
475 1 50 VAL H 1 50 VAL HA . . 2.700 2.808 2.765 2.938 0.238 6 0 "[ . 1 . ]" 1
476 1 50 VAL H 1 50 VAL HB . . 3.530 2.012 1.958 2.272 . 0 0 "[ . 1 . ]" 1
477 1 50 VAL H 1 50 VAL QG . . 4.230 2.826 2.594 3.001 . 0 0 "[ . 1 . ]" 1
478 1 50 VAL HA 1 50 VAL HB . . 3.010 2.897 2.834 2.981 . 0 0 "[ . 1 . ]" 1
479 1 50 VAL HA 1 53 LEU H . . 3.400 3.080 2.715 3.204 . 0 0 "[ . 1 . ]" 1
480 1 50 VAL HA 1 53 LEU QB . . 4.370 2.317 1.792 2.826 . 0 0 "[ . 1 . ]" 1
481 1 50 VAL HA 1 54 GLY H . . 2.290 2.994 2.452 3.232 0.942 5 15 "[-***+** ********]" 1
482 1 50 VAL QG 1 51 MET H . . 4.280 2.282 1.848 2.952 . 0 0 "[ . 1 . ]" 1
483 1 51 MET H 1 51 MET HA . . 2.630 2.648 2.621 2.683 0.053 6 0 "[ . 1 . ]" 1
484 1 51 MET H 1 51 MET QB . . 3.500 2.234 2.158 2.371 . 0 0 "[ . 1 . ]" 1
485 1 51 MET H 1 51 MET QG . . 4.040 3.206 2.270 4.029 . 0 0 "[ . 1 . ]" 1
486 1 51 MET H 1 52 SER H . . 4.270 3.097 2.958 3.249 . 0 0 "[ . 1 . ]" 1
487 1 51 MET HA 1 51 MET ME . . 3.590 1.877 1.815 1.977 . 0 0 "[ . 1 . ]" 1
488 1 51 MET HA 1 51 MET QG . . 2.950 2.690 2.204 3.082 0.132 13 0 "[ . 1 . ]" 1
489 1 51 MET QB 1 52 SER H . . 3.480 2.382 2.229 2.604 . 0 0 "[ . 1 . ]" 1
490 1 51 MET QB 1 52 SER HG . . 4.990 5.134 4.279 6.111 1.121 16 6 "[*- *.* 1* .+]" 1
491 1 51 MET QB 1 53 LEU H . . 4.170 4.276 4.078 4.426 0.256 15 0 "[ . 1 . ]" 1
492 1 52 SER H 1 52 SER HA . . 2.700 2.781 2.730 2.872 0.172 2 0 "[ . 1 . ]" 1
493 1 52 SER H 1 52 SER QB . . 3.220 2.281 2.050 2.680 . 0 0 "[ . 1 . ]" 1
494 1 52 SER H 1 53 LEU H . . 2.830 2.581 2.259 2.723 . 0 0 "[ . 1 . ]" 1
495 1 52 SER HA 1 52 SER HB2 . . 2.620 2.382 2.264 2.560 . 0 0 "[ . 1 . ]" 1
496 1 52 SER HA 1 52 SER HB3 . . 2.600 2.611 2.387 2.969 0.369 11 0 "[ . 1 . ]" 1
497 1 52 SER HG 1 53 LEU HG . . 3.050 4.092 3.187 4.940 1.890 9 15 "[*** **-*+*******]" 1
498 1 53 LEU H 1 53 LEU HA . . 2.900 2.906 2.854 2.915 0.015 7 0 "[ . 1 . ]" 1
499 1 53 LEU H 1 53 LEU HG . . 3.200 3.889 2.739 4.567 1.367 5 13 "[*** +*******- .*]" 1
500 1 53 LEU HA 1 53 LEU MD1 . . 4.470 3.567 1.971 3.797 . 0 0 "[ . 1 . ]" 1
501 1 53 LEU HA 1 53 LEU QD . . 3.750 2.235 1.863 3.109 . 0 0 "[ . 1 . ]" 1
502 1 53 LEU HA 1 53 LEU MD2 . . 3.820 2.501 1.868 4.140 0.320 15 0 "[ . 1 . ]" 1
503 1 53 LEU HA 1 53 LEU HG . . 2.730 2.765 2.387 3.774 1.044 14 2 "[ . 1 +- ]" 1
504 1 53 LEU HA 1 54 GLY H . . 3.140 3.572 3.460 3.639 0.499 14 0 "[ . 1 . ]" 1
505 1 53 LEU QD 1 55 VAL QG . . 9.360 2.919 1.777 3.960 . 0 0 "[ . 1 . ]" 1
506 1 54 GLY H 1 55 VAL H . . 3.190 4.082 3.817 4.425 1.235 8 16 [*-*****+********] 1
507 1 54 GLY QA 1 55 VAL H . . 3.110 2.198 2.169 2.282 . 0 0 "[ . 1 . ]" 1
508 1 55 VAL H 1 55 VAL HA . . 2.790 2.933 2.913 2.940 0.150 3 0 "[ . 1 . ]" 1
509 1 55 VAL H 1 55 VAL HB . . 2.960 3.405 3.313 3.508 0.548 12 5 "[- .* **1 + . ]" 1
510 1 55 VAL HA 1 55 VAL HB . . 3.000 2.757 2.727 2.775 . 0 0 "[ . 1 . ]" 1
511 1 55 VAL HA 1 55 VAL MG1 . . 2.970 1.949 1.930 2.085 . 0 0 "[ . 1 . ]" 1
512 1 55 VAL HA 1 55 VAL MG2 . . 3.430 3.081 3.065 3.109 . 0 0 "[ . 1 . ]" 1
513 1 55 VAL HA 1 56 GLY H . . 2.290 2.741 2.711 2.788 0.498 8 0 "[ . 1 . ]" 1
514 1 55 VAL QG 1 56 GLY QA . . 7.670 3.876 3.857 3.894 . 0 0 "[ . 1 . ]" 1
515 1 55 VAL QG 1 59 SER H . . 6.640 4.024 3.961 4.087 . 0 0 "[ . 1 . ]" 1
516 1 55 VAL QG 1 59 SER QB . . 6.600 1.574 1.549 1.623 . 0 0 "[ . 1 . ]" 1
517 1 55 VAL QG 1 60 ASP H . . 7.420 2.969 2.470 3.575 . 0 0 "[ . 1 . ]" 1
518 1 55 VAL QG 1 61 VAL HA . . 6.670 3.859 3.723 4.084 . 0 0 "[ . 1 . ]" 1
519 1 55 VAL MG1 1 59 SER QB . . 6.320 1.577 1.551 1.627 . 0 0 "[ . 1 . ]" 1
520 1 55 VAL MG2 1 59 SER QB . . 6.320 3.373 3.319 3.457 . 0 0 "[ . 1 . ]" 1
521 1 56 GLY QA 1 57 GLN H . . 3.260 2.299 2.234 2.389 . 0 0 "[ . 1 . ]" 1
522 1 57 GLN H 1 57 GLN HA . . 2.570 2.640 2.604 2.682 0.112 9 0 "[ . 1 . ]" 1
523 1 57 GLN H 1 57 GLN QB . . 3.250 2.192 2.116 2.382 . 0 0 "[ . 1 . ]" 1
524 1 57 GLN H 1 57 GLN QG . . 4.020 2.773 2.330 2.921 . 0 0 "[ . 1 . ]" 1
525 1 57 GLN HA 1 57 GLN HB2 . . 2.640 2.597 2.365 2.950 0.310 7 0 "[ . 1 . ]" 1
526 1 57 GLN HA 1 57 GLN HB3 . . 2.240 2.652 2.451 2.824 0.584 13 6 "[ * * - 1* + * ]" 1
527 1 57 GLN HA 1 57 GLN QG . . 3.610 2.887 2.171 3.331 . 0 0 "[ . 1 . ]" 1
528 1 57 GLN HA 1 58 GLY QA . . 5.250 3.931 3.923 3.953 . 0 0 "[ . 1 . ]" 1
529 1 57 GLN QG 1 58 GLY QA . . 5.910 4.478 4.120 4.948 . 0 0 "[ . 1 . ]" 1
530 1 58 GLY H 1 58 GLY QA . . 2.450 2.152 2.151 2.155 . 0 0 "[ . 1 . ]" 1
531 1 58 GLY H 1 59 SER H . . 2.790 2.932 2.898 2.973 0.183 10 0 "[ . 1 . ]" 1
532 1 59 SER H 1 59 SER HA . . 2.900 2.701 2.647 2.736 . 0 0 "[ . 1 . ]" 1
533 1 59 SER H 1 59 SER QB . . 2.820 2.634 2.504 2.718 . 0 0 "[ . 1 . ]" 1
534 1 59 SER HA 1 59 SER QB . . 2.710 2.345 2.309 2.430 . 0 0 "[ . 1 . ]" 1
535 1 59 SER HA 1 60 ASP H . . 2.090 2.448 2.253 2.613 0.523 13 4 "[ * - + * ]" 1
536 1 59 SER HA 1 60 ASP QB . . 4.580 4.208 4.118 4.328 . 0 0 "[ . 1 . ]" 1
537 1 59 SER QB 1 60 ASP H . . 3.530 2.631 2.255 3.123 . 0 0 "[ . 1 . ]" 1
538 1 59 SER QB 1 60 ASP HA . . 5.150 4.129 3.961 4.331 . 0 0 "[ . 1 . ]" 1
539 1 59 SER QB 1 61 VAL QG . . 7.700 3.185 3.098 3.313 . 0 0 "[ . 1 . ]" 1
540 1 60 ASP H 1 60 ASP HA . . 2.780 2.904 2.887 2.916 0.136 14 0 "[ . 1 . ]" 1
541 1 60 ASP H 1 60 ASP HB2 . . 3.650 3.737 3.628 3.834 0.184 13 0 "[ . 1 . ]" 1
542 1 60 ASP H 1 60 ASP QB . . 3.240 2.817 2.590 3.032 . 0 0 "[ . 1 . ]" 1
543 1 60 ASP H 1 60 ASP HB3 . . 2.620 2.916 2.652 3.180 0.560 15 1 "[ . 1 + ]" 1
544 1 60 ASP HA 1 60 ASP HB2 . . 2.460 2.435 2.404 2.464 0.004 14 0 "[ . 1 . ]" 1
545 1 60 ASP HA 1 60 ASP HB3 . . 2.740 2.514 2.481 2.550 . 0 0 "[ . 1 . ]" 1
546 1 60 ASP HA 1 61 VAL H . . 2.010 2.378 2.354 2.474 0.464 12 0 "[ . 1 . ]" 1
547 1 61 VAL HA 1 61 VAL HB . . 2.490 2.463 2.427 2.479 . 0 0 "[ . 1 . ]" 1
548 1 61 VAL HB 1 62 THR H . . 2.290 2.213 2.103 2.287 . 0 0 "[ . 1 . ]" 1
549 1 62 THR H 1 62 THR HA . . 2.890 2.934 2.899 2.943 0.053 13 0 "[ . 1 . ]" 1
550 1 62 THR H 1 62 THR HB . . 2.940 2.539 2.458 2.728 . 0 0 "[ . 1 . ]" 1
551 1 62 THR H 1 62 THR MG . . 4.720 3.616 3.579 3.675 . 0 0 "[ . 1 . ]" 1
552 1 62 THR HA 1 62 THR HB . . 3.070 3.007 3.002 3.015 . 0 0 "[ . 1 . ]" 1
553 1 62 THR HA 1 62 THR MG . . 2.910 2.658 2.631 2.679 . 0 0 "[ . 1 . ]" 1
554 1 62 THR HB 1 63 ILE H . . 3.270 4.455 4.298 4.566 1.296 9 16 [********+***-***] 1
555 1 62 THR HB 1 64 THR HG1 . . 4.180 5.518 5.330 5.781 1.601 12 16 [********-**+****] 1
556 1 62 THR MG 1 63 ILE H . . 3.360 2.555 2.220 2.858 . 0 0 "[ . 1 . ]" 1
557 1 63 ILE H 1 63 ILE HA . . 2.860 2.931 2.916 2.939 0.079 13 0 "[ . 1 . ]" 1
558 1 63 ILE H 1 63 ILE HB . . 3.070 2.365 2.280 2.487 . 0 0 "[ . 1 . ]" 1
559 1 63 ILE H 1 63 ILE MD . . 5.120 3.669 3.544 3.797 . 0 0 "[ . 1 . ]" 1
560 1 63 ILE H 1 63 ILE QG . . 4.730 4.050 4.003 4.105 . 0 0 "[ . 1 . ]" 1
561 1 63 ILE HA 1 63 ILE HB . . 2.870 2.774 2.728 2.803 . 0 0 "[ . 1 . ]" 1
562 1 63 ILE HA 1 63 ILE MD . . 3.850 2.825 2.661 2.970 . 0 0 "[ . 1 . ]" 1
563 1 63 ILE HA 1 63 ILE QG . . 2.640 2.008 1.966 2.075 . 0 0 "[ . 1 . ]" 1
564 1 63 ILE MD 1 81 LEU QD . . 6.580 2.115 1.993 2.207 . 0 0 "[ . 1 . ]" 1
565 1 64 THR H 1 64 THR HA . . 2.920 2.928 2.921 2.941 0.021 9 0 "[ . 1 . ]" 1
566 1 64 THR H 1 64 THR HB . . 3.090 2.980 2.900 3.030 . 0 0 "[ . 1 . ]" 1
567 1 64 THR H 1 64 THR MG . . 4.190 3.940 3.910 3.961 . 0 0 "[ . 1 . ]" 1
568 1 64 THR HA 1 64 THR HB . . 2.970 3.029 3.017 3.040 0.070 5 0 "[ . 1 . ]" 1
569 1 64 THR HA 1 64 THR HG1 . . 2.850 2.669 2.615 2.744 . 0 0 "[ . 1 . ]" 1
570 1 64 THR HA 1 64 THR MG . . 2.670 2.088 2.051 2.118 . 0 0 "[ . 1 . ]" 1
571 1 64 THR HA 1 65 VAL H . . 2.140 2.269 2.219 2.321 0.181 4 0 "[ . 1 . ]" 1
572 1 64 THR HB 1 64 THR HG1 . . 2.930 2.925 2.910 2.935 0.005 10 0 "[ . 1 . ]" 1
573 1 64 THR MG 1 65 VAL H . . 3.620 2.419 2.252 2.566 . 0 0 "[ . 1 . ]" 1
574 1 65 VAL H 1 65 VAL HA . . 2.920 2.911 2.900 2.932 0.012 9 0 "[ . 1 . ]" 1
575 1 65 VAL H 1 65 VAL HB . . 3.420 3.058 2.878 3.178 . 0 0 "[ . 1 . ]" 1
576 1 65 VAL H 1 65 VAL QG . . 4.170 2.499 2.375 2.756 . 0 0 "[ . 1 . ]" 1
577 1 65 VAL HA 1 66 ASP H . . 2.220 2.189 2.183 2.202 . 0 0 "[ . 1 . ]" 1
578 1 65 VAL QG 1 66 ASP H . . 4.700 2.751 2.509 3.052 . 0 0 "[ . 1 . ]" 1
579 1 65 VAL QG 1 73 GLY H . . 6.890 3.338 3.228 3.488 . 0 0 "[ . 1 . ]" 1
580 1 65 VAL QG 1 74 MET QG . . 7.090 1.641 1.554 1.720 . 0 0 "[ . 1 . ]" 1
581 1 65 VAL MG1 1 70 GLU HA . . 2.800 2.143 1.747 2.495 . 0 0 "[ . 1 . ]" 1
582 1 65 VAL MG2 1 70 GLU HA . . 2.800 1.675 1.590 1.846 . 0 0 "[ . 1 . ]" 1
583 1 66 ASP H 1 66 ASP HA . . 2.800 2.902 2.885 2.917 0.117 9 0 "[ . 1 . ]" 1
584 1 66 ASP H 1 66 ASP QB . . 3.560 3.037 2.570 3.140 . 0 0 "[ . 1 . ]" 1
585 1 66 ASP HA 1 66 ASP QB . . 2.120 2.206 2.192 2.235 0.115 6 0 "[ . 1 . ]" 1
586 1 66 ASP HA 1 67 GLY H . . 2.120 2.266 2.253 2.321 0.201 5 0 "[ . 1 . ]" 1
587 1 66 ASP HA 1 70 GLU QB . . 4.460 3.440 2.735 4.618 0.158 9 0 "[ . 1 . ]" 1
588 1 66 ASP QB 1 67 GLY H . . 3.300 3.318 3.158 3.499 0.199 5 0 "[ . 1 . ]" 1
589 1 67 GLY H 1 70 GLU H . . 3.470 4.049 3.768 4.260 0.790 10 12 "[***** * *+ *-** ]" 1
590 1 67 GLY H 1 70 GLU QB . . 4.820 3.062 2.114 4.073 . 0 0 "[ . 1 . ]" 1
591 1 67 GLY H 1 70 GLU QG . . 4.710 2.824 1.971 3.479 . 0 0 "[ . 1 . ]" 1
592 1 68 ALA H 1 68 ALA HA . . 2.830 2.883 2.815 2.923 0.093 4 0 "[ . 1 . ]" 1
593 1 68 ALA H 1 68 ALA MB . . 2.470 2.115 1.971 2.269 . 0 0 "[ . 1 . ]" 1
594 1 68 ALA H 1 69 ASP H . . 3.440 2.523 2.281 2.854 . 0 0 "[ . 1 . ]" 1
595 1 69 ASP H 1 69 ASP HA . . 2.880 2.689 2.605 2.759 . 0 0 "[ . 1 . ]" 1
596 1 69 ASP H 1 69 ASP HB2 . . 2.870 2.082 2.002 2.190 . 0 0 "[ . 1 . ]" 1
597 1 69 ASP H 1 69 ASP QB . . 3.470 2.063 1.983 2.168 . 0 0 "[ . 1 . ]" 1
598 1 69 ASP H 1 69 ASP HB3 . . 3.610 3.354 3.207 3.475 . 0 0 "[ . 1 . ]" 1
599 1 69 ASP HA 1 69 ASP QB . . 2.510 2.565 2.542 2.574 0.064 11 0 "[ . 1 . ]" 1
600 1 69 ASP HA 1 71 ALA H . . 3.490 4.394 3.979 4.823 1.333 11 15 "[***** ****+****-]" 1
601 1 69 ASP HA 1 72 GLU H . . 3.250 3.621 3.270 3.948 0.698 7 5 "[ . + 1*** - ]" 1
602 1 69 ASP HA 1 72 GLU QG . . 4.310 2.485 1.888 3.299 . 0 0 "[ . 1 . ]" 1
603 1 70 GLU H 1 70 GLU HA . . 2.820 2.393 2.273 2.482 . 0 0 "[ . 1 . ]" 1
604 1 70 GLU H 1 70 GLU QB . . 2.500 2.766 2.434 3.211 0.711 10 5 "[ *. * + * - ]" 1
605 1 70 GLU H 1 70 GLU QG . . 4.380 2.231 1.704 2.680 . 0 0 "[ . 1 . ]" 1
606 1 70 GLU H 1 71 ALA H . . 2.940 3.740 3.428 4.068 1.128 10 14 "[**-** ***+***** ]" 1
607 1 70 GLU H 1 72 GLU H . . 4.070 5.278 5.079 5.472 1.402 7 16 [-*****+*********] 1
608 1 70 GLU HA 1 74 MET QG . . 3.710 3.509 3.230 3.819 0.109 1 0 "[ . 1 . ]" 1
609 1 71 ALA H 1 71 ALA HA . . 2.940 2.767 2.725 2.806 . 0 0 "[ . 1 . ]" 1
610 1 71 ALA H 1 71 ALA MB . . 2.990 2.055 1.949 2.164 . 0 0 "[ . 1 . ]" 1
611 1 71 ALA HA 1 71 ALA MB . . 2.250 2.130 2.109 2.151 . 0 0 "[ . 1 . ]" 1
612 1 71 ALA MB 1 72 GLU H . . 3.280 2.143 1.968 2.291 . 0 0 "[ . 1 . ]" 1
613 1 72 GLU H 1 72 GLU HA . . 2.880 2.690 2.638 2.731 . 0 0 "[ . 1 . ]" 1
614 1 72 GLU H 1 72 GLU QB . . 3.200 2.574 2.016 2.913 . 0 0 "[ . 1 . ]" 1
615 1 72 GLU H 1 72 GLU HG2 . . 4.480 2.770 1.688 4.484 0.004 15 0 "[ . 1 . ]" 1
616 1 72 GLU H 1 72 GLU QG . . 4.550 2.386 1.588 3.767 . 0 0 "[ . 1 . ]" 1
617 1 72 GLU H 1 72 GLU HG3 . . 4.480 2.690 1.800 4.049 . 0 0 "[ . 1 . ]" 1
618 1 72 GLU H 1 73 GLY H . . 2.450 2.944 2.827 3.096 0.646 7 8 "[ *. +- 1*** **]" 1
619 1 72 GLU QG 1 73 GLY H . . 3.230 2.514 2.267 2.960 . 0 0 "[ . 1 . ]" 1
620 1 73 GLY QA 1 74 MET QG . . 5.500 3.827 3.589 3.961 . 0 0 "[ . 1 . ]" 1
621 1 74 MET H 1 74 MET HA . . 2.640 2.727 2.704 2.741 0.101 3 0 "[ . 1 . ]" 1
622 1 74 MET H 1 74 MET QG . . 4.540 1.969 1.606 2.104 . 0 0 "[ . 1 . ]" 1
623 1 74 MET H 1 75 ALA H . . 2.620 2.783 2.736 2.879 0.259 16 0 "[ . 1 . ]" 1
624 1 74 MET HA 1 77 ILE HB . . 1.890 2.214 2.106 2.320 0.430 16 0 "[ . 1 . ]" 1
625 1 74 MET QB 1 75 ALA H . . 5.390 3.467 3.297 3.529 . 0 0 "[ . 1 . ]" 1
626 1 74 MET QB 1 78 VAL QG . . 7.630 2.284 2.082 2.498 . 0 0 "[ . 1 . ]" 1
627 1 74 MET O 1 78 VAL H . . 1.900 1.476 1.404 1.527 . 0 0 "[ . 1 . ]" 1
628 1 74 MET O 1 78 VAL N . . 2.900 2.461 2.385 2.526 . 0 0 "[ . 1 . ]" 1
629 1 75 ALA H 1 75 ALA HA . . 2.750 2.707 2.677 2.719 . 0 0 "[ . 1 . ]" 1
630 1 75 ALA H 1 75 ALA MB . . 3.020 2.085 1.957 2.148 . 0 0 "[ . 1 . ]" 1
631 1 75 ALA H 1 76 ALA H . . 3.090 3.028 2.940 3.172 0.082 7 0 "[ . 1 . ]" 1
632 1 75 ALA H 1 77 ILE H . . 3.980 4.484 4.378 4.610 0.630 8 8 "[* - .**+*1 *.*]" 1
633 1 75 ALA H 1 78 VAL QG . . 4.950 3.598 3.458 3.719 . 0 0 "[ . 1 . ]" 1
634 1 75 ALA HA 1 76 ALA H . . 3.640 3.638 3.630 3.642 0.002 15 0 "[ . 1 . ]" 1
635 1 75 ALA MB 1 76 ALA H . . 2.250 2.422 2.283 2.512 0.262 14 0 "[ . 1 . ]" 1
636 1 75 ALA O 1 79 GLU H . . 1.900 1.781 1.656 1.892 . 0 0 "[ . 1 . ]" 1
637 1 75 ALA O 1 79 GLU N . . 2.900 2.773 2.647 2.889 . 0 0 "[ . 1 . ]" 1
638 1 76 ALA H 1 76 ALA HA . . 2.760 2.780 2.729 2.814 0.054 3 0 "[ . 1 . ]" 1
639 1 76 ALA H 1 76 ALA MB . . 3.010 1.939 1.932 1.957 . 0 0 "[ . 1 . ]" 1
640 1 76 ALA H 1 77 ILE H . . 2.500 2.858 2.769 3.001 0.501 7 1 "[ . + 1 . ]" 1
641 1 76 ALA HA 1 79 GLU QB . . 2.780 2.641 2.606 2.688 . 0 0 "[ . 1 . ]" 1
642 1 76 ALA MB 1 77 ILE H . . 3.360 2.432 2.374 2.501 . 0 0 "[ . 1 . ]" 1
643 1 76 ALA O 1 80 THR H . . 1.900 1.414 1.342 1.540 . 0 0 "[ . 1 . ]" 1
644 1 76 ALA O 1 80 THR N . . 2.900 2.393 2.340 2.461 . 0 0 "[ . 1 . ]" 1
645 1 77 ILE H 1 77 ILE HA . . 2.850 2.713 2.703 2.723 . 0 0 "[ . 1 . ]" 1
646 1 77 ILE H 1 77 ILE HB . . 2.280 2.047 2.026 2.071 . 0 0 "[ . 1 . ]" 1
647 1 77 ILE H 1 77 ILE QG . . 3.530 2.903 2.802 2.985 . 0 0 "[ . 1 . ]" 1
648 1 77 ILE H 1 77 ILE MG . . 4.310 3.467 3.422 3.512 . 0 0 "[ . 1 . ]" 1
649 1 77 ILE H 1 78 VAL H . . 2.570 3.023 2.985 3.063 0.493 8 0 "[ . 1 . ]" 1
650 1 77 ILE H 1 78 VAL QG . . 6.570 4.057 3.992 4.110 . 0 0 "[ . 1 . ]" 1
651 1 77 ILE HA 1 77 ILE HB . . 3.010 2.906 2.889 2.927 . 0 0 "[ . 1 . ]" 1
652 1 77 ILE HA 1 77 ILE MD . . 3.010 1.831 1.792 1.908 . 0 0 "[ . 1 . ]" 1
653 1 77 ILE HA 1 77 ILE QG . . 3.290 2.641 2.608 2.674 . 0 0 "[ . 1 . ]" 1
654 1 77 ILE HA 1 78 VAL QG . . 5.910 4.613 4.590 4.639 . 0 0 "[ . 1 . ]" 1
655 1 77 ILE HA 1 80 THR HB . . 2.380 2.591 2.361 2.703 0.323 8 0 "[ . 1 . ]" 1
656 1 77 ILE HB 1 77 ILE MD . . 3.700 3.193 3.186 3.205 . 0 0 "[ . 1 . ]" 1
657 1 77 ILE MG 1 78 VAL H . . 3.630 2.134 2.053 2.344 . 0 0 "[ . 1 . ]" 1
658 1 77 ILE O 1 81 LEU H . . 1.900 1.428 1.385 1.486 . 0 0 "[ . 1 . ]" 1
659 1 77 ILE O 1 81 LEU N . . 2.900 2.410 2.378 2.447 . 0 0 "[ . 1 . ]" 1
660 1 78 VAL H 1 78 VAL HA . . 2.800 2.734 2.706 2.751 . 0 0 "[ . 1 . ]" 1
661 1 78 VAL H 1 78 VAL MG1 . . 3.620 3.672 3.659 3.689 0.069 9 0 "[ . 1 . ]" 1
662 1 78 VAL H 1 78 VAL QG . . 3.880 1.810 1.784 1.845 . 0 0 "[ . 1 . ]" 1
663 1 78 VAL H 1 78 VAL MG2 . . 3.620 1.814 1.788 1.850 . 0 0 "[ . 1 . ]" 1
664 1 78 VAL H 1 79 GLU H . . 2.570 3.007 2.963 3.071 0.501 2 1 "[ + . 1 . ]" 1
665 1 78 VAL H 1 81 LEU QD . . 7.140 4.333 4.020 4.457 . 0 0 "[ . 1 . ]" 1
666 1 78 VAL HA 1 78 VAL HB . . 2.250 3.018 3.013 3.023 0.773 12 16 [*******-***+****] 1
667 1 78 VAL HA 1 78 VAL MG1 . . 3.240 2.245 2.167 2.372 . 0 0 "[ . 1 . ]" 1
668 1 78 VAL HA 1 78 VAL MG2 . . 3.730 2.480 2.465 2.496 . 0 0 "[ . 1 . ]" 1
669 1 78 VAL HA 1 81 LEU H . . 3.080 3.542 3.470 3.625 0.545 11 4 "[ - . *+ *. ]" 1
670 1 78 VAL HA 1 81 LEU QB . . 3.170 2.535 2.482 2.586 . 0 0 "[ . 1 . ]" 1
671 1 78 VAL HA 1 81 LEU QD . . 5.810 3.616 3.498 3.688 . 0 0 "[ . 1 . ]" 1
672 1 78 VAL HA 1 81 LEU HG . . 2.500 2.984 2.663 3.335 0.835 12 7 "[ *. * **+ -* ]" 1
673 1 78 VAL QG 1 79 GLU H . . 4.840 3.117 3.083 3.137 . 0 0 "[ . 1 . ]" 1
674 1 78 VAL QG 1 79 GLU HA . . 6.080 3.715 3.577 3.803 . 0 0 "[ . 1 . ]" 1
675 1 78 VAL QG 1 79 GLU QB . . 7.320 4.262 4.243 4.282 . 0 0 "[ . 1 . ]" 1
676 1 78 VAL QG 1 81 LEU QD . . 9.580 3.957 3.826 4.059 . 0 0 "[ . 1 . ]" 1
677 1 78 VAL O 1 82 GLN H . . 1.900 2.197 2.146 2.235 0.335 6 0 "[ . 1 . ]" 1
678 1 78 VAL O 1 82 GLN N . . 2.900 3.127 3.074 3.159 0.259 14 0 "[ . 1 . ]" 1
679 1 79 GLU H 1 79 GLU HA . . 2.780 2.727 2.720 2.735 . 0 0 "[ . 1 . ]" 1
680 1 79 GLU H 1 79 GLU QB . . 2.790 2.053 2.043 2.068 . 0 0 "[ . 1 . ]" 1
681 1 79 GLU H 1 80 THR H . . 2.680 2.828 2.778 2.866 0.186 8 0 "[ . 1 . ]" 1
682 1 79 GLU QB 1 80 THR H . . 3.190 2.703 2.623 2.859 . 0 0 "[ . 1 . ]" 1
683 1 80 THR H 1 80 THR HA . . 2.870 2.811 2.789 2.845 . 0 0 "[ . 1 . ]" 1
684 1 80 THR H 1 80 THR HB . . 2.110 1.951 1.944 1.970 . 0 0 "[ . 1 . ]" 1
685 1 80 THR H 1 80 THR MG . . 3.760 3.271 3.190 3.331 . 0 0 "[ . 1 . ]" 1
686 1 80 THR H 1 81 LEU H . . 2.250 2.744 2.698 2.800 0.550 11 6 "[-** * 1+ *. ]" 1
687 1 80 THR HA 1 83 LYS H . . 3.060 2.756 2.662 2.837 . 0 0 "[ . 1 . ]" 1
688 1 80 THR HB 1 80 THR HG1 . . 2.210 2.616 2.217 2.935 0.725 4 8 "[* *+.- 1 * ***]" 1
689 1 80 THR MG 1 81 LEU H . . 3.370 2.314 2.019 2.508 . 0 0 "[ . 1 . ]" 1
690 1 81 LEU H 1 81 LEU HA . . 2.810 2.701 2.664 2.727 . 0 0 "[ . 1 . ]" 1
691 1 81 LEU H 1 81 LEU QB . . 3.170 2.254 2.203 2.307 . 0 0 "[ . 1 . ]" 1
692 1 81 LEU H 1 81 LEU HG . . 2.640 3.209 3.028 3.398 0.758 12 10 "[ *-*. * ***+ ** ]" 1
693 1 81 LEU HA 1 81 LEU MD1 . . 4.630 2.904 2.631 3.101 . 0 0 "[ . 1 . ]" 1
694 1 81 LEU HA 1 81 LEU QD . . 3.830 1.822 1.645 1.876 . 0 0 "[ . 1 . ]" 1
695 1 81 LEU HA 1 81 LEU MD2 . . 3.690 1.843 1.656 1.909 . 0 0 "[ . 1 . ]" 1
696 1 81 LEU HA 1 81 LEU HG . . 3.160 3.607 3.565 3.652 0.492 10 0 "[ . 1 . ]" 1
697 1 81 LEU HA 1 86 LEU QD . . 6.320 3.860 2.764 4.155 . 0 0 "[ . 1 . ]" 1
698 1 81 LEU QB 1 82 GLN H . . 4.310 2.661 2.566 2.741 . 0 0 "[ . 1 . ]" 1
699 1 81 LEU QD 1 86 LEU H . . 6.900 4.417 4.173 4.783 . 0 0 "[ . 1 . ]" 1
700 1 81 LEU QD 1 87 ALA H . . 6.900 3.692 3.292 4.103 . 0 0 "[ . 1 . ]" 1
701 1 81 LEU QD 1 87 ALA MB . . 5.860 1.555 1.525 1.576 . 0 0 "[ . 1 . ]" 1
702 1 82 GLN H 1 82 GLN HA . . 2.860 2.891 2.885 2.894 0.034 2 0 "[ . 1 . ]" 1
703 1 82 GLN H 1 82 GLN QG . . 2.810 1.874 1.499 2.039 . 0 0 "[ . 1 . ]" 1
704 1 82 GLN H 1 83 LYS H . . 2.600 2.193 2.161 2.237 . 0 0 "[ . 1 . ]" 1
705 1 82 GLN HA 1 82 GLN QG . . 4.000 2.967 2.689 3.306 . 0 0 "[ . 1 . ]" 1
706 1 82 GLN HA 1 85 GLY H . . 2.630 3.344 3.170 3.509 0.879 9 16 [********+**-****] 1
707 1 82 GLN QB 1 83 LYS H . . 3.370 3.501 3.209 3.814 0.444 13 0 "[ . 1 . ]" 1
708 1 82 GLN QG 1 83 LYS H . . 3.910 3.339 2.394 3.941 0.031 3 0 "[ . 1 . ]" 1
709 1 83 LYS H 1 83 LYS HA . . 2.670 2.872 2.844 2.886 0.216 13 0 "[ . 1 . ]" 1
710 1 83 LYS H 1 84 GLU H . . 2.710 2.380 2.322 2.460 . 0 0 "[ . 1 . ]" 1
711 1 83 LYS HA 1 83 LYS QG . . 3.850 2.983 2.952 3.038 . 0 0 "[ . 1 . ]" 1
712 1 83 LYS QB 1 84 GLU H . . 4.260 3.201 3.107 3.353 . 0 0 "[ . 1 . ]" 1
713 1 83 LYS QG 1 84 GLU QG . . 5.480 1.903 1.862 1.946 . 0 0 "[ . 1 . ]" 1
714 1 84 GLU H 1 84 GLU HA . . 2.890 2.891 2.878 2.909 0.019 10 0 "[ . 1 . ]" 1
715 1 84 GLU H 1 84 GLU QG . . 3.410 1.880 1.664 1.959 . 0 0 "[ . 1 . ]" 1
716 1 84 GLU HA 1 84 GLU HB2 . . 3.050 2.995 2.822 3.033 . 0 0 "[ . 1 . ]" 1
717 1 84 GLU HA 1 84 GLU HB3 . . 2.650 2.347 2.255 2.382 . 0 0 "[ . 1 . ]" 1
718 1 84 GLU HA 1 84 GLU QG . . 2.510 3.072 2.969 3.112 0.602 10 15 [*********+***-.*] 1
719 1 85 GLY H 1 86 LEU H . . 2.760 2.793 2.746 2.879 0.119 9 0 "[ . 1 . ]" 1
720 1 85 GLY QA 1 86 LEU H . . 3.260 2.952 2.873 2.987 . 0 0 "[ . 1 . ]" 1
721 1 86 LEU H 1 86 LEU HA . . 2.930 2.862 2.754 2.911 . 0 0 "[ . 1 . ]" 1
722 1 86 LEU H 1 86 LEU QB . . 3.200 2.081 1.993 2.264 . 0 0 "[ . 1 . ]" 1
723 1 86 LEU H 1 86 LEU QD . . 4.740 3.566 3.420 3.686 . 0 0 "[ . 1 . ]" 1
724 1 86 LEU H 1 86 LEU HG . . 2.390 3.750 3.180 4.473 2.083 10 16 [*********+***-**] 1
725 1 86 LEU H 1 87 ALA H . . 2.380 2.460 2.170 2.845 0.465 14 0 "[ . 1 . ]" 1
726 1 87 ALA H 1 87 ALA HA . . 2.920 2.877 2.783 2.941 0.021 15 0 "[ . 1 . ]" 1
727 1 87 ALA H 1 87 ALA MB . . 3.420 2.630 2.266 2.857 . 0 0 "[ . 1 . ]" 1
728 1 87 ALA HA 1 88 GLU H . . 2.120 2.477 2.390 2.623 0.503 5 1 "[ + 1 . ]" 1
729 1 87 ALA MB 1 88 GLU H . . 3.340 2.548 2.233 2.695 . 0 0 "[ . 1 . ]" 1
730 1 88 GLU H 1 88 GLU HA . . 2.560 2.863 2.761 2.909 0.349 2 0 "[ . 1 . ]" 1
731 1 88 GLU H 1 88 GLU QB . . 3.380 2.703 2.278 2.962 . 0 0 "[ . 1 . ]" 1
732 1 88 GLU H 1 88 GLU QG . . 3.500 2.032 1.800 2.752 . 0 0 "[ . 1 . ]" 1
733 1 88 GLU HA 1 89 GLN H . . 2.280 2.792 2.632 3.631 1.351 4 4 "[ +. 1 *- * ]" 1
734 1 89 GLN H 1 89 GLN QB . . 3.240 2.381 2.168 2.817 . 0 0 "[ . 1 . ]" 1
735 1 89 GLN H 1 89 GLN QG . . 3.330 2.975 1.957 3.928 0.598 13 6 "[ * * -*1 *+ . ]" 1
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