NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
590588 |
2n00   |
25510 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n00
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 1226
_Distance_constraint_stats_list.Viol_count 3410
_Distance_constraint_stats_list.Viol_total 20722.547
_Distance_constraint_stats_list.Viol_max 1.457
_Distance_constraint_stats_list.Viol_rms 0.1446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0423
_Distance_constraint_stats_list.Viol_average_violations_only 0.3038
_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 1.391 0.687 16 1 "[ . 1 .+ 2]"
1 2 GLU 19.272 0.845 13 18 "[*** ********+***-* *]"
1 3 SER 7.131 0.809 19 2 "[ . 1 .- +2]"
1 4 GLU 33.145 1.457 13 20 [************+*****-*]
1 5 TYR 67.914 1.328 6 17 "[*****+- ********** 2]"
1 6 ARG 35.084 1.107 2 18 "[*+********-** *** **]"
1 7 GLU 4.775 0.259 4 0 "[ . 1 . 2]"
1 8 MET 33.724 1.328 6 17 "[*****+* ********-* 2]"
1 9 LEU 32.727 0.965 17 9 "[ *** **- * * + 2]"
1 10 LEU 2.162 0.483 6 0 "[ . 1 . 2]"
1 11 LEU 34.390 0.721 4 14 "[ **+* ** 1****.* **-]"
1 12 THR 26.335 1.160 20 18 "[*** ***-*1*********+]"
1 13 GLY 14.148 0.498 3 0 "[ . 1 . 2]"
1 14 LEU 37.086 0.849 6 20 [-****+**************]
1 15 ASP 14.372 0.614 12 7 "[ *- 1 + *.* **]"
1 16 HIS 2.524 0.476 20 0 "[ . 1 . 2]"
1 17 ILE 38.499 0.734 3 18 "[**+***** -******** *]"
1 18 THR 19.502 0.678 12 2 "[ . 1 + . - 2]"
1 19 GLU 8.576 0.629 1 5 "[+ * * 1 .*- 2]"
1 20 GLU 8.625 0.928 17 5 "[ . * *- . + *2]"
1 21 GLU 18.753 0.678 12 6 "[ ** *- 1 + . *]"
1 22 LEU 9.511 0.629 1 5 "[+ * * 1 .*- 2]"
1 23 LYS 13.109 0.928 17 7 "[ . * *** -. + *2]"
1 24 ARG 29.950 1.111 12 18 "[ ********1*+******-*]"
1 25 PHE 32.788 0.660 7 11 "[-* *.*+* 1 * ** * *2]"
1 26 LYS 23.091 0.860 11 9 "[ *. 1+-*** ** *]"
1 27 TYR 25.347 0.977 13 16 "[* ***-******+ * ***2]"
1 28 PHE 34.213 0.977 13 15 "[* *-********+ ** *2]"
1 29 ALA 23.682 0.661 1 11 "[+**** ** * -* . *]"
1 30 LEU 39.592 0.860 11 16 "[* *** * *1+*********]"
1 31 THR 2.988 0.171 1 0 "[ . 1 . 2]"
1 32 GLU 2.243 0.479 18 0 "[ . 1 . 2]"
1 33 PHE 28.336 0.945 6 14 "[ * *.+ *-*********2]"
1 34 GLN 0.441 0.134 9 0 "[ . 1 . 2]"
1 35 ILE 59.033 1.022 12 20 [***********+********]
1 36 ALA 17.453 1.022 12 10 "[* *** * *1 + . * **]"
1 37 ARG 39.692 1.390 8 18 "[*******+**-* ******]"
1 38 SER 37.339 1.390 8 18 "[*******+***- ******]"
1 39 THR 2.795 0.463 17 0 "[ . 1 . 2]"
1 40 LEU 20.965 0.620 12 9 "[* .-* *1*+ . ***2]"
1 41 ASP 5.790 0.466 10 0 "[ . 1 . 2]"
1 42 VAL 25.385 1.081 12 20 [****-******+********]
1 43 ALA 44.534 0.849 6 20 [*****+*********-****]
1 44 ASP 18.385 0.721 4 12 "[ **+* ** 1* * .* **-]"
1 45 ARG 17.460 0.528 8 1 "[ . + 1 . 2]"
1 46 THR 3.458 0.528 8 1 "[ . + 1 . 2]"
1 47 GLU 30.429 1.081 12 20 [****-******+********]
1 48 LEU 23.093 0.817 4 15 "[** +.*** ** **.***-*]"
1 49 ALA 32.579 0.653 10 9 "[* .* *+* *- **2]"
1 50 ASP 3.131 1.284 16 3 "[ . -1 *+ 2]"
1 51 HIS 5.588 0.378 5 0 "[ . 1 . 2]"
1 52 LEU 54.982 0.796 2 20 [*+*******-**********]
1 53 ILE 56.999 1.284 16 19 "[*********-*****+** *]"
1 54 GLN 2.253 0.498 18 0 "[ . 1 . 2]"
1 55 SER 14.375 0.945 6 10 "[ *.+ *1-* **** *2]"
1 56 ALA 4.908 0.724 16 2 "[ . - 1 .+ 2]"
1 57 GLY 3.644 0.294 19 0 "[ . 1 . 2]"
1 58 ALA 18.994 0.683 16 1 "[ . 1 .+ 2]"
1 59 ALA 25.916 0.910 7 16 "[*- *.*+**1*********2]"
1 60 SER 1.678 0.346 4 0 "[ . 1 . 2]"
1 61 ALA 6.377 0.482 16 0 "[ . 1 . 2]"
1 62 VAL 44.255 0.799 16 12 "[ * *.*- ** ***+* *2]"
1 63 THR 8.478 0.563 16 3 "[ . 1 -+ *]"
1 64 LYS 46.556 0.925 3 20 [-*+*****************]
1 65 ALA 15.496 0.782 4 11 "[* +*- * 1*** .* * *]"
1 66 ILE 39.057 0.934 9 19 [*******-+*****.*****]
1 67 ASN 6.937 0.925 3 8 "[* +-* * ** . *]"
1 68 ILE 41.744 0.866 11 8 "[ *-* * *1+* .* 2]"
1 69 PHE 43.069 0.839 4 20 [***+********-*******]
1 70 GLN 7.068 0.522 11 1 "[ . 1+ . 2]"
1 71 LYS 11.121 0.496 5 0 "[ . 1 . 2]"
1 72 LEU 95.208 1.111 12 20 [*******-***+********]
1 73 ASN 4.729 0.242 5 0 "[ . 1 . 2]"
1 74 TYR 22.557 0.492 8 0 "[ . 1 . 2]"
1 75 MET 2.160 0.422 2 0 "[ . 1 . 2]"
1 76 HIS 3.633 0.872 7 4 "[ *. + 1 .*- 2]"
1 77 ILE 54.430 0.734 3 18 "[**+** ** ***-*******]"
1 78 ALA 16.613 0.934 9 15 "[-** .***+** **. ****]"
1 79 ASN 7.929 0.872 7 4 "[ *. + 1 .*- 2]"
1 80 ALA 2.265 0.287 5 0 "[ . 1 . 2]"
1 81 LEU 27.582 1.160 20 17 "[*** **- *1*********+]"
1 82 GLU 21.846 0.526 10 2 "[ . - + . 2]"
1 83 GLU 1.053 0.585 3 1 "[ + . 1 . 2]"
1 84 LYS 25.833 1.255 11 14 "[*****- * 1+ * .*****]"
1 85 LYS 2.135 0.291 11 0 "[ . 1 . 2]"
1 86 LYS 5.805 0.626 18 4 "[ .** 1 . + -]"
1 87 GLU 16.690 0.700 3 6 "[ + . **1 * - *]"
1 88 ALA 28.404 1.255 11 16 "[**-*** ***+ * .*****]"
1 89 GLU 3.615 0.826 10 2 "[ . -+ . 2]"
1 90 ARG 13.523 0.700 3 6 "[ + . **1 - * *]"
1 91 LYS 55.908 1.457 13 20 [************+*-*****]
1 92 LEU 22.550 0.910 7 16 "[** *.*+**1***-*****2]"
1 93 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 THR 3.026 0.475 14 0 "[ . 1 . 2]"
1 95 ASN 2.286 0.475 14 0 "[ . 1 . 2]"
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 HG2 3.990 . 3.990 2.994 2.501 3.751 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET HG3 3.990 . 3.990 3.017 2.439 3.806 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 GLU H 3.290 . 3.290 2.337 2.134 2.614 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 GLU HA 4.540 . 4.540 4.323 4.296 4.407 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 GLU QB 4.900 . 4.900 4.393 4.153 4.592 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 2 GLU H 4.240 . 4.240 2.756 1.976 3.895 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 3 SER H 3.660 . 3.660 2.884 2.476 4.029 0.369 6 0 "[ . 1 . 2]" 1
8 1 1 MET QB 1 3 SER QB 4.020 . 4.020 3.448 2.905 4.707 0.687 16 1 "[ . 1 .+ 2]" 1
9 1 1 MET QG 1 2 GLU H 5.320 . 5.320 3.659 2.179 4.333 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLU H 1 2 GLU QB 3.220 . 3.220 2.453 2.233 2.570 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU H 1 2 GLU QG 3.840 . 3.840 2.736 1.956 4.036 0.196 16 0 "[ . 1 . 2]" 1
12 1 2 GLU H 1 3 SER H 3.510 . 3.510 2.614 2.531 2.763 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HA 1 2 GLU QG 3.570 . 3.570 3.269 2.476 3.495 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU HA 1 5 TYR H 4.180 . 4.180 3.237 3.141 3.365 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU HA 1 5 TYR HB3 3.910 . 3.910 2.715 2.307 3.269 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU HA 1 5 TYR QD 4.130 . 4.130 4.056 3.394 4.711 0.581 10 2 "[ . + . - 2]" 1
17 1 2 GLU HA 1 6 ARG H 4.260 . 4.260 4.343 4.085 4.896 0.636 10 1 "[ . + . 2]" 1
18 1 2 GLU QB 1 3 SER H 4.070 . 4.070 3.359 2.471 3.559 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU QB 1 5 TYR QD 4.880 . 4.880 4.367 3.952 4.747 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLU QB 1 58 ALA MB 4.150 . 4.150 3.458 2.870 4.448 0.298 7 0 "[ . 1 . 2]" 1
21 1 2 GLU QB 1 92 LEU QD . . 3.650 2.868 2.077 3.333 . 0 0 "[ . 1 . 2]" 1
22 1 2 GLU QG 1 3 SER H 4.210 . 4.210 2.646 2.198 3.922 . 0 0 "[ . 1 . 2]" 1
23 1 2 GLU QG 1 53 ILE QG 5.180 . 5.180 5.816 4.672 6.025 0.845 13 18 "[*** *****-**+***** *]" 1
24 1 2 GLU QG 1 58 ALA MB 4.060 . 4.060 3.441 2.287 4.397 0.337 17 0 "[ . 1 . 2]" 1
25 1 2 GLU QG 1 92 LEU QD 5.280 . 5.280 4.206 2.870 4.852 . 0 0 "[ . 1 . 2]" 1
26 1 3 SER H 1 3 SER QB 3.210 . 3.210 2.448 2.257 2.513 . 0 0 "[ . 1 . 2]" 1
27 1 3 SER HA 1 6 ARG H 4.410 . 4.410 3.595 3.184 3.920 . 0 0 "[ . 1 . 2]" 1
28 1 3 SER HA 1 6 ARG QB 3.780 . 3.780 3.890 2.585 4.589 0.809 19 1 "[ . 1 . +2]" 1
29 1 3 SER HA 1 7 GLU H 4.420 . 4.420 3.985 3.220 4.416 . 0 0 "[ . 1 . 2]" 1
30 1 3 SER QB 1 5 TYR H 5.130 . 5.130 4.796 4.537 5.391 0.261 17 0 "[ . 1 . 2]" 1
31 1 4 GLU H 1 4 GLU HB2 3.710 . 3.710 2.582 2.469 2.675 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU H 1 4 GLU QB 3.200 . 3.200 2.312 2.248 2.474 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU H 1 4 GLU HB3 3.710 . 3.710 2.765 2.416 3.611 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 4 GLU QG 4.280 . 4.280 3.547 2.149 4.039 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 5 TYR H 3.560 . 3.560 2.480 2.437 2.587 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU H 1 5 TYR HB3 5.490 . 5.490 4.637 4.503 4.740 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLU H 1 91 LYS QE 5.340 . 5.340 5.677 4.576 6.013 0.673 14 10 "[ *** *1 +****-2]" 1
38 1 4 GLU HA 1 4 GLU QG 3.570 . 3.570 2.579 2.409 2.987 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU HA 1 5 TYR HA 4.790 . 4.790 4.758 4.674 4.834 0.044 19 0 "[ . 1 . 2]" 1
40 1 4 GLU QB 1 5 TYR H 3.860 . 3.860 2.767 2.482 2.829 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU QB 1 5 TYR HB3 5.340 . 5.340 4.811 4.611 4.996 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLU HB2 1 5 TYR H 4.430 . 4.430 3.708 2.825 4.060 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLU HB3 1 5 TYR H 4.430 . 4.430 3.081 2.513 3.922 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU QG 1 91 LYS QE 3.570 . 3.570 4.796 3.552 5.027 1.457 13 19 [**-*********+*.*****] 1
45 1 5 TYR H 1 5 TYR HB3 3.470 . 3.470 2.419 2.322 2.490 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR H 1 5 TYR QD 4.300 . 4.300 4.191 4.147 4.215 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR H 1 6 ARG H 3.720 . 3.720 2.563 2.322 2.766 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR H 1 62 VAL MG2 5.500 . 5.500 5.942 5.676 6.026 0.526 16 6 "[ -.** 1 * .+* 2]" 1
49 1 5 TYR HA 1 5 TYR QD 3.750 . 3.750 2.484 2.316 2.638 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR HA 1 8 MET H 5.340 . 5.340 4.185 3.952 4.416 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR HA 1 8 MET QG 3.700 . 3.700 4.471 2.678 5.028 1.328 6 15 "[*****+* **** *-* * 2]" 1
52 1 5 TYR HA 1 62 VAL MG1 4.840 . 4.840 5.002 4.726 5.053 0.213 12 0 "[ . 1 . 2]" 1
53 1 5 TYR HA 1 91 LYS QE 4.160 . 4.160 4.407 3.513 4.971 0.811 7 4 "[ .*+ *1 - 2]" 1
54 1 5 TYR HB3 1 6 ARG H 3.900 . 3.900 2.782 2.613 3.025 . 0 0 "[ . 1 . 2]" 1
55 1 5 TYR HB3 1 6 ARG QB 5.340 . 5.340 4.286 4.046 5.019 . 0 0 "[ . 1 . 2]" 1
56 1 5 TYR HB3 1 9 LEU QB 5.340 . 5.340 5.311 5.157 5.534 0.194 11 0 "[ . 1 . 2]" 1
57 1 5 TYR HB3 1 62 VAL MG1 4.270 . 4.270 4.539 4.201 4.786 0.516 6 2 "[ .+- 1 . 2]" 1
58 1 5 TYR HB3 1 62 VAL MG2 4.380 . 4.380 4.665 4.357 5.018 0.638 16 3 "[ . * - .+ 2]" 1
59 1 5 TYR HB3 1 92 LEU QD 4.720 . 4.720 4.188 3.591 4.750 0.030 7 0 "[ . 1 . 2]" 1
60 1 5 TYR QD 1 6 ARG QB 5.200 . 5.200 4.046 3.516 5.047 . 0 0 "[ . 1 . 2]" 1
61 1 5 TYR QD 1 58 ALA MB 4.620 . 4.620 4.903 4.271 5.024 0.404 8 0 "[ . 1 . 2]" 1
62 1 5 TYR QD 1 59 ALA HA 4.910 . 4.910 4.037 3.705 4.620 . 0 0 "[ . 1 . 2]" 1
63 1 5 TYR QD 1 62 VAL HB 4.380 . 4.380 4.026 3.753 4.626 0.246 15 0 "[ . 1 . 2]" 1
64 1 5 TYR QD 1 62 VAL MG1 3.480 . 3.480 3.107 2.801 3.384 . 0 0 "[ . 1 . 2]" 1
65 1 5 TYR QD 1 62 VAL MG2 4.220 . 4.220 3.436 3.157 3.752 . 0 0 "[ . 1 . 2]" 1
66 1 5 TYR QD 1 88 ALA HA 4.450 . 4.450 4.619 4.322 4.986 0.536 18 1 "[ . 1 . + 2]" 1
67 1 5 TYR QD 1 88 ALA MB 3.720 . 3.720 3.196 2.688 3.567 . 0 0 "[ . 1 . 2]" 1
68 1 5 TYR QD 1 91 LYS QB 5.340 . 5.340 5.002 4.680 5.389 0.049 16 0 "[ . 1 . 2]" 1
69 1 5 TYR QD 1 92 LEU HG 5.390 . 5.390 5.550 4.769 6.018 0.628 18 3 "[ . 1 -* + 2]" 1
70 1 5 TYR QE 1 59 ALA HA 4.090 . 4.090 3.399 2.943 3.940 . 0 0 "[ . 1 . 2]" 1
71 1 5 TYR QE 1 59 ALA MB 3.910 . 3.910 4.020 3.760 4.517 0.607 18 2 "[ - . 1 . + 2]" 1
72 1 5 TYR QE 1 62 VAL MG1 4.430 . 4.430 2.599 2.385 2.865 . 0 0 "[ . 1 . 2]" 1
73 1 5 TYR QE 1 62 VAL MG2 4.710 . 4.710 3.806 3.383 4.222 . 0 0 "[ . 1 . 2]" 1
74 1 5 TYR QE 1 88 ALA MB 4.160 . 4.160 2.590 2.415 2.834 . 0 0 "[ . 1 . 2]" 1
75 1 6 ARG H 1 6 ARG HB2 3.700 . 3.700 3.417 2.495 3.627 . 0 0 "[ . 1 . 2]" 1
76 1 6 ARG H 1 6 ARG QB 3.230 . 3.230 2.625 2.453 2.745 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG H 1 6 ARG HB3 3.700 . 3.700 2.897 2.642 3.621 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG H 1 6 ARG QD 4.710 . 4.710 3.814 2.776 4.250 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG H 1 6 ARG QG 3.930 . 3.930 1.993 1.847 2.287 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG H 1 62 VAL MG1 5.030 . 5.030 4.527 3.999 4.900 . 0 0 "[ . 1 . 2]" 1
81 1 6 ARG H 1 62 VAL MG2 4.560 . 4.560 4.028 3.794 4.242 . 0 0 "[ . 1 . 2]" 1
82 1 6 ARG HA 1 7 GLU HA 5.360 . 5.360 4.780 4.738 4.837 . 0 0 "[ . 1 . 2]" 1
83 1 6 ARG HA 1 9 LEU H 4.850 . 4.850 3.945 3.697 4.142 . 0 0 "[ . 1 . 2]" 1
84 1 6 ARG HA 1 9 LEU HB2 3.870 . 3.870 4.043 3.737 4.323 0.453 16 0 "[ . 1 . 2]" 1
85 1 6 ARG HA 1 9 LEU QB 3.320 . 3.320 2.949 2.702 3.196 . 0 0 "[ . 1 . 2]" 1
86 1 6 ARG HA 1 9 LEU HB3 3.870 . 3.870 3.032 2.761 3.306 . 0 0 "[ . 1 . 2]" 1
87 1 6 ARG HA 1 9 LEU QD 3.630 . 3.630 3.646 3.342 4.052 0.422 5 0 "[ . 1 . 2]" 1
88 1 6 ARG HA 1 10 LEU H 4.710 . 4.710 4.198 3.929 4.603 . 0 0 "[ . 1 . 2]" 1
89 1 6 ARG QB 1 6 ARG QD 3.200 . 3.200 2.178 2.115 2.420 . 0 0 "[ . 1 . 2]" 1
90 1 6 ARG QB 1 7 GLU H 3.860 . 3.860 3.165 2.139 3.580 . 0 0 "[ . 1 . 2]" 1
91 1 6 ARG QB 1 9 LEU QD 4.270 . 4.270 4.636 4.192 5.018 0.748 6 8 "[ **+ **- * * 2]" 1
92 1 6 ARG QB 1 10 LEU QD 3.500 . 3.500 3.004 2.540 3.447 . 0 0 "[ . 1 . 2]" 1
93 1 6 ARG QB 1 49 ALA MB 3.620 . 3.620 3.118 2.594 3.953 0.333 7 0 "[ . 1 . 2]" 1
94 1 6 ARG QB 1 53 ILE QG 4.710 . 4.710 3.611 2.769 4.131 . 0 0 "[ . 1 . 2]" 1
95 1 6 ARG QB 1 62 VAL MG1 5.210 . 5.210 3.566 2.984 4.367 . 0 0 "[ . 1 . 2]" 1
96 1 6 ARG QB 1 62 VAL MG2 3.600 . 3.600 2.090 1.826 2.771 . 0 0 "[ . 1 . 2]" 1
97 1 6 ARG QD 1 7 GLU H 5.310 . 5.310 4.305 3.901 4.886 . 0 0 "[ . 1 . 2]" 1
98 1 6 ARG QD 1 49 ALA MB 4.350 . 4.350 3.174 2.121 5.003 0.653 10 1 "[ . + . 2]" 1
99 1 6 ARG QD 1 53 ILE QG 4.930 . 4.930 2.661 1.816 3.824 . 0 0 "[ . 1 . 2]" 1
100 1 6 ARG QD 1 62 VAL MG2 4.250 . 4.250 3.316 1.833 3.886 . 0 0 "[ . 1 . 2]" 1
101 1 6 ARG QG 1 7 GLU H 4.690 . 4.690 2.425 1.813 3.910 . 0 0 "[ . 1 . 2]" 1
102 1 6 ARG QG 1 49 ALA HA 5.340 . 5.340 4.829 3.849 5.989 0.649 15 2 "[ .- 1 + 2]" 1
103 1 6 ARG QG 1 53 ILE QG 3.870 . 3.870 4.384 3.623 4.977 1.107 2 11 "[*+*** ** 1 ** .- *]" 1
104 1 6 ARG HG2 1 7 GLU H 5.500 . 5.500 2.983 2.430 4.836 . 0 0 "[ . 1 . 2]" 1
105 1 6 ARG HG3 1 7 GLU H 5.500 . 5.500 2.618 1.842 4.333 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLU H 1 7 GLU HB3 3.240 . 3.240 2.515 2.432 2.610 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLU H 1 62 VAL MG2 4.980 . 4.980 4.964 4.816 5.041 0.061 19 0 "[ . 1 . 2]" 1
108 1 7 GLU HA 1 7 GLU QG 3.410 . 3.410 2.454 2.401 2.520 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLU HB3 1 8 MET H 3.570 . 3.570 2.387 2.336 2.498 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLU HB3 1 9 LEU H 4.780 . 4.780 4.991 4.890 5.039 0.259 4 0 "[ . 1 . 2]" 1
111 1 7 GLU QG 1 8 MET H 3.860 . 3.860 3.416 3.181 3.561 . 0 0 "[ . 1 . 2]" 1
112 1 7 GLU QG 1 11 LEU QB 3.810 . 3.810 3.533 3.261 3.708 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLU QG 1 11 LEU MD2 3.690 . 3.690 2.228 1.783 3.887 0.197 19 0 "[ . 1 . 2]" 1
114 1 7 GLU QG 1 45 ARG QB 4.230 . 4.230 2.623 2.245 3.087 . 0 0 "[ . 1 . 2]" 1
115 1 8 MET H 1 8 MET HB2 3.620 . 3.620 2.723 2.448 3.616 . 0 0 "[ . 1 . 2]" 1
116 1 8 MET H 1 8 MET QB 3.130 . 3.130 2.313 2.228 2.584 . 0 0 "[ . 1 . 2]" 1
117 1 8 MET H 1 8 MET HB3 3.620 . 3.620 2.607 2.405 3.599 . 0 0 "[ . 1 . 2]" 1
118 1 8 MET H 1 8 MET QG 3.910 . 3.910 3.513 1.945 4.061 0.151 5 0 "[ . 1 . 2]" 1
119 1 8 MET H 1 9 LEU H 3.660 . 3.660 2.736 2.599 2.844 . 0 0 "[ . 1 . 2]" 1
120 1 8 MET H 1 11 LEU MD2 4.220 . 4.220 3.826 3.633 4.370 0.150 19 0 "[ . 1 . 2]" 1
121 1 8 MET HA 1 11 LEU QB 3.730 . 3.730 3.908 3.020 4.145 0.415 15 0 "[ . 1 . 2]" 1
122 1 8 MET HA 1 11 LEU HG 4.300 . 4.300 2.603 2.039 4.747 0.447 3 0 "[ . 1 . 2]" 1
123 1 8 MET QB 1 8 MET ME 4.390 . 4.390 3.013 1.957 3.735 . 0 0 "[ . 1 . 2]" 1
124 1 8 MET QB 1 9 LEU H 4.180 . 4.180 2.591 2.332 3.408 . 0 0 "[ . 1 . 2]" 1
125 1 8 MET QB 1 11 LEU MD2 4.040 . 4.040 3.441 2.934 3.761 . 0 0 "[ . 1 . 2]" 1
126 1 8 MET ME 1 9 LEU H 5.280 . 5.280 5.115 3.669 5.843 0.563 17 1 "[ . 1 . + 2]" 1
127 1 8 MET QG 1 9 LEU H 4.130 . 4.130 3.254 1.981 3.791 . 0 0 "[ . 1 . 2]" 1
128 1 8 MET QG 1 9 LEU QB 4.130 . 4.130 4.193 2.972 5.095 0.965 17 2 "[ . 1 - . + 2]" 1
129 1 9 LEU H 1 9 LEU HB2 3.640 . 3.640 2.430 2.353 2.528 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU H 1 9 LEU HB3 3.640 . 3.640 2.584 2.494 2.721 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU H 1 9 LEU MD1 5.080 . 5.080 4.169 3.896 4.247 . 0 0 "[ . 1 . 2]" 1
132 1 9 LEU H 1 9 LEU QD 4.370 . 4.370 3.710 3.615 3.742 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU H 1 9 LEU MD2 5.080 . 5.080 4.170 3.968 4.286 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU H 1 9 LEU HG 4.770 . 4.770 4.462 4.410 4.575 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU H 1 62 VAL MG1 5.010 . 5.010 4.602 4.378 4.712 . 0 0 "[ . 1 . 2]" 1
136 1 9 LEU HA 1 9 LEU MD1 4.300 . 4.300 3.302 1.973 3.558 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU HA 1 9 LEU QD 3.140 . 3.140 2.787 1.930 3.072 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU HA 1 9 LEU MD2 4.300 . 4.300 3.221 1.945 3.842 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU HA 1 9 LEU HG 4.250 . 4.250 2.686 2.429 3.689 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU HA 1 62 VAL MG1 4.850 . 4.850 4.984 4.654 5.074 0.224 11 0 "[ . 1 . 2]" 1
141 1 9 LEU QB 1 9 LEU QD 2.840 . 2.840 1.899 1.856 2.032 . 0 0 "[ . 1 . 2]" 1
142 1 9 LEU QB 1 62 VAL MG1 3.850 . 3.850 2.597 2.434 2.666 . 0 0 "[ . 1 . 2]" 1
143 1 9 LEU QB 1 62 VAL MG2 3.970 . 3.970 3.858 3.236 4.282 0.312 4 0 "[ . 1 . 2]" 1
144 1 9 LEU QD 1 10 LEU H 4.280 . 4.280 3.396 3.071 4.157 . 0 0 "[ . 1 . 2]" 1
145 1 9 LEU QD 1 65 ALA H 4.860 . 4.860 4.791 4.436 5.022 0.162 11 0 "[ . 1 . 2]" 1
146 1 9 LEU QD 1 65 ALA MB 3.130 . 3.130 3.059 2.615 3.506 0.376 4 0 "[ . 1 . 2]" 1
147 1 9 LEU QD 1 66 ILE H 3.920 . 3.920 3.966 3.665 4.220 0.300 11 0 "[ . 1 . 2]" 1
148 1 10 LEU H 1 10 LEU HB2 3.730 . 3.730 2.320 2.116 2.440 . 0 0 "[ . 1 . 2]" 1
149 1 10 LEU H 1 10 LEU QB 3.160 . 3.160 2.291 2.097 2.403 . 0 0 "[ . 1 . 2]" 1
150 1 10 LEU H 1 10 LEU HB3 3.730 . 3.730 3.552 3.427 3.608 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU H 1 10 LEU QD 4.290 . 4.290 3.017 2.414 3.290 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU H 1 11 LEU H 4.020 . 4.020 2.669 2.587 2.859 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU H 1 12 THR H 4.190 . 4.190 3.794 3.700 3.953 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU HA 1 10 LEU QD 4.280 . 4.280 1.982 1.832 2.100 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU QB 1 11 LEU H 3.860 . 3.860 2.316 2.166 2.553 . 0 0 "[ . 1 . 2]" 1
156 1 10 LEU QB 1 12 THR H 5.310 . 5.310 4.319 4.246 4.434 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU HB2 1 11 LEU H 4.530 . 4.530 2.408 2.202 2.699 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU HB3 1 11 LEU H 4.530 . 4.530 3.125 2.763 3.507 . 0 0 "[ . 1 . 2]" 1
159 1 10 LEU QD 1 11 LEU H 4.320 . 4.320 3.886 3.804 4.080 . 0 0 "[ . 1 . 2]" 1
160 1 10 LEU QD 1 49 ALA HA 3.850 . 3.850 2.368 1.793 3.295 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU QD 1 49 ALA MB 3.010 . 3.010 2.603 2.152 3.493 0.483 6 0 "[ . 1 . 2]" 1
162 1 11 LEU H 1 11 LEU QB 3.580 . 3.580 2.334 2.023 2.492 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU H 1 11 LEU HG 4.250 . 4.250 2.719 2.224 4.311 0.061 19 0 "[ . 1 . 2]" 1
164 1 11 LEU H 1 12 THR H 3.840 . 3.840 2.765 2.678 2.821 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU H 1 14 LEU QD 4.010 . 4.010 3.857 3.621 4.223 0.213 3 0 "[ . 1 . 2]" 1
166 1 11 LEU HA 1 14 LEU H 4.490 . 4.490 3.058 2.776 3.284 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU HA 1 14 LEU HB2 3.660 . 3.660 2.350 2.011 2.839 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU HA 1 14 LEU HB3 3.960 . 3.960 4.003 3.593 4.529 0.569 8 1 "[ . + 1 . 2]" 1
169 1 11 LEU HA 1 14 LEU QD 3.200 . 3.200 2.808 2.509 3.201 0.001 19 0 "[ . 1 . 2]" 1
170 1 11 LEU HA 1 15 ASP H 4.570 . 4.570 3.278 2.981 3.527 . 0 0 "[ . 1 . 2]" 1
171 1 11 LEU HA 1 15 ASP QB 4.580 . 4.580 4.113 3.777 4.376 . 0 0 "[ . 1 . 2]" 1
172 1 11 LEU QB 1 12 THR H 4.170 . 4.170 3.609 3.346 3.672 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU QB 1 14 LEU HB2 4.120 . 4.120 3.882 3.609 4.370 0.250 8 0 "[ . 1 . 2]" 1
174 1 11 LEU QB 1 44 ASP HA 3.590 . 3.590 4.109 3.862 4.311 0.721 4 12 "[ **+* ** 1* * .* **-]" 1
175 1 11 LEU QB 1 44 ASP QB 3.930 . 3.930 2.282 1.964 2.590 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU MD2 1 12 THR H 4.440 . 4.440 3.866 2.087 4.292 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU MD2 1 15 ASP HB2 5.500 . 5.500 5.362 4.770 5.685 0.185 12 0 "[ . 1 . 2]" 1
178 1 11 LEU MD2 1 15 ASP QB 4.770 . 4.770 4.892 4.165 5.052 0.282 11 0 "[ . 1 . 2]" 1
179 1 11 LEU MD2 1 15 ASP HB3 5.500 . 5.500 5.710 4.538 6.034 0.534 14 6 "[ *- 1 +.* **]" 1
180 1 11 LEU HG 1 12 THR H 4.010 . 4.010 2.716 2.334 3.715 . 0 0 "[ . 1 . 2]" 1
181 1 11 LEU HG 1 13 GLY H 5.500 . 5.500 4.926 4.590 5.245 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU HG 1 15 ASP QB 5.330 . 5.330 5.177 2.995 5.944 0.614 12 1 "[ . 1 + . 2]" 1
183 1 12 THR H 1 12 THR HB 3.630 . 3.630 2.975 2.511 3.597 . 0 0 "[ . 1 . 2]" 1
184 1 12 THR H 1 12 THR HG1 4.620 . 4.620 3.223 1.874 4.528 . 0 0 "[ . 1 . 2]" 1
185 1 12 THR H 1 13 GLY H 3.580 . 3.580 2.705 2.629 2.778 . 0 0 "[ . 1 . 2]" 1
186 1 12 THR H 1 13 GLY HA3 5.210 . 5.210 4.987 4.826 5.137 . 0 0 "[ . 1 . 2]" 1
187 1 12 THR H 1 14 LEU HB2 5.420 . 5.420 5.300 4.950 5.643 0.223 8 0 "[ . 1 . 2]" 1
188 1 12 THR H 1 14 LEU QD 4.800 . 4.800 4.454 4.284 4.672 . 0 0 "[ . 1 . 2]" 1
189 1 12 THR HA 1 12 THR HG1 3.530 . 3.530 3.629 3.256 4.064 0.534 7 2 "[ . +- 1 . 2]" 1
190 1 12 THR HA 1 15 ASP QB 5.340 . 5.340 4.176 3.603 4.901 . 0 0 "[ . 1 . 2]" 1
191 1 12 THR HB 1 13 GLY H 4.520 . 4.520 3.561 2.792 4.313 . 0 0 "[ . 1 . 2]" 1
192 1 12 THR HB 1 81 LEU QB 4.350 . 4.350 4.761 4.414 5.024 0.674 9 7 "[ **- +1 * . **]" 1
193 1 12 THR HB 1 81 LEU QD 4.790 . 4.790 2.508 1.892 3.429 . 0 0 "[ . 1 . 2]" 1
194 1 12 THR HG1 1 13 GLY H 5.330 . 5.330 4.497 2.913 5.425 0.095 9 0 "[ . 1 . 2]" 1
195 1 12 THR HG1 1 81 LEU QB 3.860 . 3.860 4.587 3.783 5.020 1.160 20 12 "[*** * 1-* ***** +]" 1
196 1 13 GLY H 1 14 LEU H 4.020 . 4.020 2.124 1.886 2.380 . 0 0 "[ . 1 . 2]" 1
197 1 13 GLY H 1 14 LEU HB2 5.500 . 5.500 4.065 3.866 4.422 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLY H 1 14 LEU QD 4.170 . 4.170 3.213 2.927 3.481 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLY H 1 15 ASP H 4.910 . 4.910 3.767 3.486 4.146 . 0 0 "[ . 1 . 2]" 1
200 1 13 GLY HA2 1 14 LEU QD 5.020 . 5.020 4.353 4.094 4.538 . 0 0 "[ . 1 . 2]" 1
201 1 13 GLY HA2 1 77 ILE MD 4.770 . 4.770 4.747 3.764 5.029 0.259 12 0 "[ . 1 . 2]" 1
202 1 13 GLY HA2 1 77 ILE MG 3.960 . 3.960 4.207 4.006 4.458 0.498 3 0 "[ . 1 . 2]" 1
203 1 13 GLY HA3 1 14 LEU QD 4.140 . 4.140 3.306 3.061 3.566 . 0 0 "[ . 1 . 2]" 1
204 1 13 GLY HA3 1 77 ILE MG 4.700 . 4.700 5.034 5.017 5.056 0.356 11 0 "[ . 1 . 2]" 1
205 1 14 LEU H 1 14 LEU HB2 3.980 . 3.980 2.330 2.245 2.429 . 0 0 "[ . 1 . 2]" 1
206 1 14 LEU H 1 14 LEU HB3 3.760 . 3.760 3.564 3.528 3.593 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU H 1 14 LEU QD . . 4.440 1.971 1.790 2.252 . 0 0 "[ . 1 . 2]" 1
208 1 14 LEU H 1 14 LEU HG 4.560 . 4.560 3.957 3.868 4.098 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU H 1 17 ILE MD 5.020 . 5.020 4.392 4.027 4.773 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU H 1 17 ILE MG 4.850 . 4.850 4.775 4.596 5.016 0.166 8 0 "[ . 1 . 2]" 1
211 1 14 LEU HA 1 14 LEU QD 3.770 . 3.770 1.871 1.823 1.985 . 0 0 "[ . 1 . 2]" 1
212 1 14 LEU HA 1 14 LEU HG 4.100 . 4.100 3.696 3.665 3.738 . 0 0 "[ . 1 . 2]" 1
213 1 14 LEU HA 1 17 ILE MD 3.810 . 3.810 2.357 2.097 2.755 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU HA 1 17 ILE HG12 4.210 . 4.210 2.340 1.989 2.952 . 0 0 "[ . 1 . 2]" 1
215 1 14 LEU HA 1 17 ILE MG 4.450 . 4.450 3.833 3.650 4.156 . 0 0 "[ . 1 . 2]" 1
216 1 14 LEU HA 1 25 PHE QD 5.500 . 5.500 5.653 4.250 6.008 0.508 1 1 "[+ . 1 . 2]" 1
217 1 14 LEU HB2 1 15 ASP H 4.400 . 4.400 2.574 2.384 2.824 . 0 0 "[ . 1 . 2]" 1
218 1 14 LEU HB2 1 15 ASP QB 5.340 . 5.340 4.113 3.857 4.604 . 0 0 "[ . 1 . 2]" 1
219 1 14 LEU HB2 1 44 ASP H 4.670 . 4.670 4.666 4.393 4.889 0.219 2 0 "[ . 1 . 2]" 1
220 1 14 LEU HB2 1 44 ASP HA 3.470 . 3.470 3.378 3.120 3.529 0.059 2 0 "[ . 1 . 2]" 1
221 1 14 LEU HB2 1 44 ASP QB 3.340 . 3.340 2.081 1.932 2.222 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU HB3 1 15 ASP H 4.770 . 4.770 3.293 2.942 3.553 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU HB3 1 43 ALA MB 4.670 . 4.670 4.786 4.371 5.029 0.359 3 0 "[ . 1 . 2]" 1
224 1 14 LEU HB3 1 44 ASP H 4.430 . 4.430 4.269 4.110 4.481 0.051 1 0 "[ . 1 . 2]" 1
225 1 14 LEU HB3 1 44 ASP HA 3.610 . 3.610 3.880 3.563 4.139 0.529 19 1 "[ . 1 . +2]" 1
226 1 14 LEU HB3 1 44 ASP QB 3.560 . 3.560 2.277 2.088 2.499 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU QD 1 17 ILE MD 3.660 . 3.660 2.136 1.793 2.865 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU QD 1 25 PHE QD 4.470 . 4.470 2.845 2.145 3.293 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU QD 1 43 ALA MB 3.650 . 3.650 3.702 3.459 3.963 0.313 14 0 "[ . 1 . 2]" 1
230 1 14 LEU QD 1 44 ASP H 4.720 . 4.720 4.342 4.100 4.524 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU QD 1 45 ARG H 5.500 . 5.500 5.486 5.312 5.617 0.117 19 0 "[ . 1 . 2]" 1
232 1 14 LEU HG 1 15 ASP H 5.500 . 5.500 4.978 4.752 5.191 . 0 0 "[ . 1 . 2]" 1
233 1 14 LEU HG 1 43 ALA HA 5.250 . 5.250 6.040 5.946 6.099 0.849 6 20 [*****+-*************] 1
234 1 14 LEU HG 1 43 ALA MB 4.360 . 4.360 3.868 3.729 3.990 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU HG 1 44 ASP HA 4.380 . 4.380 2.387 2.172 2.679 . 0 0 "[ . 1 . 2]" 1
236 1 15 ASP H 1 15 ASP HB2 3.900 . 3.900 2.533 2.402 2.630 . 0 0 "[ . 1 . 2]" 1
237 1 15 ASP H 1 15 ASP QB 3.380 . 3.380 2.316 2.258 2.455 . 0 0 "[ . 1 . 2]" 1
238 1 15 ASP H 1 15 ASP HB3 3.900 . 3.900 2.866 2.479 3.613 . 0 0 "[ . 1 . 2]" 1
239 1 15 ASP H 1 16 HIS H 4.020 . 4.020 2.656 2.526 2.795 . 0 0 "[ . 1 . 2]" 1
240 1 15 ASP H 1 17 ILE H 5.490 . 5.490 4.432 4.096 4.797 . 0 0 "[ . 1 . 2]" 1
241 1 15 ASP H 1 17 ILE MD 5.500 . 5.500 5.255 5.005 5.555 0.055 4 0 "[ . 1 . 2]" 1
242 1 15 ASP H 1 17 ILE HG12 4.970 . 4.970 4.549 4.355 4.786 . 0 0 "[ . 1 . 2]" 1
243 1 15 ASP H 1 17 ILE MG 5.500 . 5.500 5.324 5.081 5.632 0.132 8 0 "[ . 1 . 2]" 1
244 1 15 ASP QB 1 16 HIS H 4.200 . 4.200 3.487 3.162 3.590 . 0 0 "[ . 1 . 2]" 1
245 1 16 HIS H 1 17 ILE H 3.660 . 3.660 2.205 1.818 2.464 . 0 0 "[ . 1 . 2]" 1
246 1 16 HIS H 1 17 ILE HG12 4.640 . 4.640 3.129 2.897 3.667 . 0 0 "[ . 1 . 2]" 1
247 1 16 HIS H 1 17 ILE MG 4.320 . 4.320 3.493 3.296 3.970 . 0 0 "[ . 1 . 2]" 1
248 1 16 HIS QB 1 77 ILE MD 3.750 . 3.750 3.376 2.761 4.162 0.412 20 0 "[ . 1 . 2]" 1
249 1 16 HIS HB2 1 77 ILE MD 4.540 . 4.540 4.243 3.504 5.016 0.476 20 0 "[ . 1 . 2]" 1
250 1 16 HIS HB3 1 77 ILE MD 4.540 . 4.540 3.557 2.889 4.445 . 0 0 "[ . 1 . 2]" 1
251 1 17 ILE H 1 17 ILE MD 3.650 . 3.650 3.857 3.659 3.990 0.340 2 0 "[ . 1 . 2]" 1
252 1 17 ILE H 1 17 ILE HG12 3.590 . 3.590 2.217 1.972 2.393 . 0 0 "[ . 1 . 2]" 1
253 1 17 ILE H 1 17 ILE MG 3.560 . 3.560 2.860 2.458 3.133 . 0 0 "[ . 1 . 2]" 1
254 1 17 ILE HA 1 17 ILE MD 4.410 . 4.410 4.184 4.179 4.189 . 0 0 "[ . 1 . 2]" 1
255 1 17 ILE HA 1 17 ILE MG 3.500 . 3.500 2.314 2.281 2.362 . 0 0 "[ . 1 . 2]" 1
256 1 17 ILE HB 1 17 ILE MD 3.670 . 3.670 2.416 2.364 2.448 . 0 0 "[ . 1 . 2]" 1
257 1 17 ILE HB 1 18 THR H 3.830 . 3.830 2.349 1.980 2.762 . 0 0 "[ . 1 . 2]" 1
258 1 17 ILE HB 1 21 GLU HB3 4.320 . 4.320 3.422 2.903 3.955 . 0 0 "[ . 1 . 2]" 1
259 1 17 ILE MD 1 18 THR H 4.700 . 4.700 4.177 3.728 4.647 . 0 0 "[ . 1 . 2]" 1
260 1 17 ILE MD 1 21 GLU H 5.030 . 5.030 4.709 4.068 5.233 0.203 1 0 "[ . 1 . 2]" 1
261 1 17 ILE MD 1 21 GLU HB2 5.360 . 5.360 3.088 2.215 3.956 . 0 0 "[ . 1 . 2]" 1
262 1 17 ILE MD 1 21 GLU HB3 3.860 . 3.860 3.275 2.154 4.212 0.352 1 0 "[ . 1 . 2]" 1
263 1 17 ILE MD 1 21 GLU QG 5.340 . 5.340 4.538 3.589 5.300 . 0 0 "[ . 1 . 2]" 1
264 1 17 ILE MD 1 22 LEU H 4.250 . 4.250 3.418 3.043 3.765 . 0 0 "[ . 1 . 2]" 1
265 1 17 ILE MD 1 22 LEU HA 3.450 . 3.450 2.248 1.842 3.004 . 0 0 "[ . 1 . 2]" 1
266 1 17 ILE MD 1 22 LEU QB 4.520 . 4.520 3.256 2.622 4.141 . 0 0 "[ . 1 . 2]" 1
267 1 17 ILE MD 1 24 ARG H 5.500 . 5.500 5.352 5.012 5.982 0.482 20 0 "[ . 1 . 2]" 1
268 1 17 ILE MD 1 25 PHE H 4.640 . 4.640 4.448 4.083 4.971 0.331 18 0 "[ . 1 . 2]" 1
269 1 17 ILE MD 1 25 PHE HB2 4.210 . 4.210 3.637 3.255 4.146 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE MD 1 25 PHE QB 3.630 . 3.630 3.262 2.845 3.695 0.065 18 0 "[ . 1 . 2]" 1
271 1 17 ILE MD 1 25 PHE HB3 4.210 . 4.210 3.710 3.139 4.150 . 0 0 "[ . 1 . 2]" 1
272 1 17 ILE MD 1 25 PHE QD 3.840 . 3.840 4.113 3.568 4.500 0.660 7 5 "[ - .*+* 1 * 2]" 1
273 1 17 ILE HG12 1 17 ILE MG 3.490 . 3.490 2.381 2.346 2.414 . 0 0 "[ . 1 . 2]" 1
274 1 17 ILE HG12 1 18 THR H 4.570 . 4.570 4.677 4.340 4.949 0.379 17 0 "[ . 1 . 2]" 1
275 1 17 ILE MG 1 18 THR H 4.230 . 4.230 3.595 3.444 3.679 . 0 0 "[ . 1 . 2]" 1
276 1 17 ILE MG 1 21 GLU HB2 5.180 . 5.180 3.894 3.487 4.308 . 0 0 "[ . 1 . 2]" 1
277 1 17 ILE MG 1 21 GLU HB3 4.030 . 4.030 3.928 3.468 4.410 0.380 12 0 "[ . 1 . 2]" 1
278 1 17 ILE MG 1 21 GLU QG 5.050 . 5.050 4.448 3.660 5.333 0.283 12 0 "[ . 1 . 2]" 1
279 1 17 ILE MG 1 77 ILE QG 5.340 . 5.340 5.932 5.692 6.074 0.734 3 16 "[**+ * ** **-****** *]" 1
280 1 17 ILE MG 1 77 ILE MG 4.410 . 4.410 4.670 3.714 5.009 0.599 5 8 "[** *+ - *.* *]" 1
281 1 18 THR H 1 18 THR HG1 3.700 . 3.700 2.866 1.858 4.267 0.567 18 1 "[ . 1 . + 2]" 1
282 1 18 THR H 1 19 GLU H 4.590 . 4.590 4.578 4.498 4.635 0.045 12 0 "[ . 1 . 2]" 1
283 1 18 THR H 1 19 GLU HA 5.500 . 5.500 5.619 5.472 5.759 0.259 17 0 "[ . 1 . 2]" 1
284 1 18 THR H 1 20 GLU QG 4.320 . 4.320 4.478 4.179 4.749 0.429 12 0 "[ . 1 . 2]" 1
285 1 18 THR H 1 21 GLU H 3.800 . 3.800 4.059 3.774 4.478 0.678 12 1 "[ . 1 + . 2]" 1
286 1 18 THR H 1 21 GLU HB2 4.390 . 4.390 2.931 2.600 3.418 . 0 0 "[ . 1 . 2]" 1
287 1 18 THR H 1 21 GLU HB3 4.650 . 4.650 4.381 3.825 4.956 0.306 12 0 "[ . 1 . 2]" 1
288 1 18 THR H 1 21 GLU QG 4.700 . 4.700 3.467 2.520 4.324 . 0 0 "[ . 1 . 2]" 1
289 1 18 THR H 1 22 LEU H 4.770 . 4.770 4.731 4.347 5.017 0.247 18 0 "[ . 1 . 2]" 1
290 1 18 THR HA 1 18 THR HG1 3.780 . 3.780 3.586 2.508 4.081 0.301 9 0 "[ . 1 . 2]" 1
291 1 18 THR HA 1 19 GLU H 3.430 . 3.430 2.447 2.321 2.592 . 0 0 "[ . 1 . 2]" 1
292 1 18 THR HB 1 19 GLU H 4.210 . 4.210 2.566 1.991 3.619 . 0 0 "[ . 1 . 2]" 1
293 1 18 THR HG1 1 19 GLU H 4.520 . 4.520 4.166 2.072 4.930 0.410 20 0 "[ . 1 . 2]" 1
294 1 18 THR HG1 1 20 GLU QG 4.420 . 4.420 2.779 1.813 4.532 0.112 19 0 "[ . 1 . 2]" 1
295 1 19 GLU H 1 19 GLU QB 3.190 . 3.190 2.446 2.255 2.616 . 0 0 "[ . 1 . 2]" 1
296 1 19 GLU H 1 20 GLU QG 4.010 . 4.010 3.769 3.645 3.976 . 0 0 "[ . 1 . 2]" 1
297 1 19 GLU HA 1 22 LEU H 4.320 . 4.320 3.318 3.132 3.481 . 0 0 "[ . 1 . 2]" 1
298 1 19 GLU HA 1 22 LEU HB2 4.400 . 4.400 2.854 2.433 3.434 . 0 0 "[ . 1 . 2]" 1
299 1 19 GLU HA 1 22 LEU QB 3.810 . 3.810 2.533 2.142 3.342 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLU HA 1 22 LEU HB3 4.400 . 4.400 3.134 2.176 4.589 0.189 19 0 "[ . 1 . 2]" 1
301 1 19 GLU HA 1 22 LEU HG 4.330 . 4.330 3.913 2.303 4.959 0.629 1 5 "[+ * * 1 .*- 2]" 1
302 1 20 GLU HA 1 23 LYS H 4.150 . 4.150 3.891 3.518 4.091 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLU HA 1 23 LYS QE 4.080 . 4.080 3.431 1.846 5.008 0.928 17 5 "[ . * *- . + *2]" 1
304 1 20 GLU HA 1 23 LYS QG 4.910 . 4.910 3.718 2.684 5.045 0.135 5 0 "[ . 1 . 2]" 1
305 1 20 GLU QB 1 21 GLU H 3.720 . 3.720 3.382 3.281 3.548 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLU QB 1 21 GLU HA 5.040 . 5.040 4.284 4.202 4.393 . 0 0 "[ . 1 . 2]" 1
307 1 20 GLU QG 1 21 GLU H 3.500 . 3.500 2.070 1.906 2.351 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLU H 1 21 GLU HB3 4.090 . 4.090 3.592 3.383 3.612 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLU H 1 22 LEU H 3.920 . 3.920 2.448 2.392 2.518 . 0 0 "[ . 1 . 2]" 1
310 1 21 GLU H 1 22 LEU QB 4.580 . 4.580 4.283 4.097 4.578 . 0 0 "[ . 1 . 2]" 1
311 1 21 GLU H 1 23 LYS H 4.590 . 4.590 4.361 4.065 4.571 . 0 0 "[ . 1 . 2]" 1
312 1 21 GLU HA 1 21 GLU QG 3.500 . 3.500 2.696 2.398 3.038 . 0 0 "[ . 1 . 2]" 1
313 1 21 GLU HA 1 24 ARG QB 3.830 . 3.830 2.680 2.289 3.893 0.063 20 0 "[ . 1 . 2]" 1
314 1 21 GLU HA 1 24 ARG QD 4.330 . 4.330 2.542 1.833 3.936 . 0 0 "[ . 1 . 2]" 1
315 1 21 GLU HA 1 24 ARG QG 4.480 . 4.480 3.299 2.093 4.965 0.485 5 0 "[ . 1 . 2]" 1
316 1 21 GLU HA 1 72 LEU QD 5.440 . 5.440 5.790 5.362 6.035 0.595 4 5 "[ +* *- 1 . *]" 1
317 1 21 GLU HB2 1 22 LEU H 4.110 . 4.110 2.931 2.890 3.222 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU HB3 1 22 LEU HA 4.830 . 4.830 4.540 4.027 4.688 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLU HB3 1 24 ARG H 5.140 . 5.140 5.024 4.813 5.267 0.127 14 0 "[ . 1 . 2]" 1
320 1 21 GLU HB3 1 24 ARG QD 4.600 . 4.600 3.992 3.116 4.941 0.341 5 0 "[ . 1 . 2]" 1
321 1 21 GLU HB3 1 25 PHE H 4.810 . 4.810 4.810 4.520 5.012 0.202 1 0 "[ . 1 . 2]" 1
322 1 22 LEU H 1 22 LEU HB2 3.650 . 3.650 2.462 2.193 2.728 . 0 0 "[ . 1 . 2]" 1
323 1 22 LEU H 1 22 LEU HB3 3.650 . 3.650 2.913 2.297 3.593 . 0 0 "[ . 1 . 2]" 1
324 1 22 LEU H 1 22 LEU HG 4.550 . 4.550 3.667 2.204 4.500 . 0 0 "[ . 1 . 2]" 1
325 1 22 LEU H 1 23 LYS H 3.970 . 3.970 2.761 2.519 2.894 . 0 0 "[ . 1 . 2]" 1
326 1 22 LEU HA 1 25 PHE H 4.570 . 4.570 3.741 3.402 3.971 . 0 0 "[ . 1 . 2]" 1
327 1 22 LEU HA 1 25 PHE HB2 4.240 . 4.240 4.081 3.431 4.740 0.500 4 0 "[ . 1 . 2]" 1
328 1 22 LEU HA 1 25 PHE QB 3.520 . 3.520 3.206 2.749 3.605 0.085 16 0 "[ . 1 . 2]" 1
329 1 22 LEU HA 1 25 PHE HB3 4.240 . 4.240 3.367 2.809 3.841 . 0 0 "[ . 1 . 2]" 1
330 1 22 LEU HA 1 26 LYS H 4.850 . 4.850 4.493 3.910 5.020 0.170 2 0 "[ . 1 . 2]" 1
331 1 22 LEU QB 1 23 LYS H 3.860 . 3.860 2.524 2.383 2.822 . 0 0 "[ . 1 . 2]" 1
332 1 22 LEU QB 1 23 LYS HA 4.930 . 4.930 4.031 3.809 4.370 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU QB 1 40 LEU QD 3.520 . 3.520 2.820 1.781 3.844 0.324 16 0 "[ . 1 . 2]" 1
334 1 22 LEU HB2 1 23 LYS H 4.730 . 4.730 3.367 2.429 4.088 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU HB3 1 23 LYS H 4.730 . 4.730 2.909 2.423 3.594 . 0 0 "[ . 1 . 2]" 1
336 1 22 LEU HG 1 23 LYS H 5.330 . 5.330 4.224 3.685 5.003 . 0 0 "[ . 1 . 2]" 1
337 1 23 LYS H 1 23 LYS QB 3.460 . 3.460 2.450 2.237 2.650 . 0 0 "[ . 1 . 2]" 1
338 1 23 LYS H 1 23 LYS QD 4.560 . 4.560 3.884 1.942 4.684 0.124 14 0 "[ . 1 . 2]" 1
339 1 23 LYS H 1 23 LYS HE2 5.500 . 5.500 4.714 3.625 6.012 0.512 14 1 "[ . 1 +. 2]" 1
340 1 23 LYS H 1 23 LYS HE3 5.500 . 5.500 4.933 3.790 6.013 0.513 12 1 "[ . 1 + . 2]" 1
341 1 23 LYS H 1 23 LYS QG 3.570 . 3.570 2.391 1.867 3.977 0.407 14 0 "[ . 1 . 2]" 1
342 1 23 LYS H 1 24 ARG H 3.760 . 3.760 2.571 2.434 2.697 . 0 0 "[ . 1 . 2]" 1
343 1 23 LYS H 1 40 LEU QD 4.850 . 4.850 3.962 2.869 5.049 0.199 17 0 "[ . 1 . 2]" 1
344 1 23 LYS HA 1 23 LYS QD 3.980 . 3.980 4.047 2.791 4.446 0.466 15 0 "[ . 1 . 2]" 1
345 1 23 LYS HA 1 23 LYS QG 3.410 . 3.410 2.660 2.356 3.349 . 0 0 "[ . 1 . 2]" 1
346 1 23 LYS HA 1 25 PHE H 4.950 . 4.950 4.453 4.153 4.788 . 0 0 "[ . 1 . 2]" 1
347 1 23 LYS QB 1 23 LYS QD 3.280 . 3.280 2.210 2.121 2.310 . 0 0 "[ . 1 . 2]" 1
348 1 23 LYS QB 1 24 ARG H 3.350 . 3.350 2.926 2.444 3.541 0.191 6 0 "[ . 1 . 2]" 1
349 1 23 LYS QB 1 24 ARG HA 4.220 . 4.220 4.032 3.846 4.388 0.168 4 0 "[ . 1 . 2]" 1
350 1 23 LYS QB 1 27 TYR QB 5.340 . 5.340 4.152 3.633 4.960 . 0 0 "[ . 1 . 2]" 1
351 1 23 LYS QG 1 24 ARG H 4.670 . 4.670 3.647 2.292 4.585 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG H 1 24 ARG QB 3.510 . 3.510 2.364 2.230 2.544 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG H 1 24 ARG QD 3.660 . 3.660 3.874 2.140 4.611 0.951 13 5 "[ * * 1* + .- 2]" 1
354 1 24 ARG H 1 24 ARG HG2 4.440 . 4.440 3.707 2.090 4.507 0.067 16 0 "[ . 1 . 2]" 1
355 1 24 ARG H 1 24 ARG QG 3.780 . 3.780 2.752 2.066 3.982 0.202 5 0 "[ . 1 . 2]" 1
356 1 24 ARG H 1 24 ARG HG3 4.440 . 4.440 2.964 2.123 4.511 0.071 13 0 "[ . 1 . 2]" 1
357 1 24 ARG H 1 25 PHE H 3.770 . 3.770 2.679 2.553 2.775 . 0 0 "[ . 1 . 2]" 1
358 1 24 ARG HA 1 24 ARG QD 3.900 . 3.900 4.027 2.911 4.511 0.611 20 1 "[ . 1 . +]" 1
359 1 24 ARG HA 1 24 ARG QG 3.510 . 3.510 2.458 2.266 3.346 . 0 0 "[ . 1 . 2]" 1
360 1 24 ARG HA 1 26 LYS H 5.480 . 5.480 4.721 4.272 4.977 . 0 0 "[ . 1 . 2]" 1
361 1 24 ARG HA 1 27 TYR QB 3.600 . 3.600 2.686 2.278 3.017 . 0 0 "[ . 1 . 2]" 1
362 1 24 ARG QB 1 24 ARG QD 3.260 . 3.260 2.204 2.120 2.381 . 0 0 "[ . 1 . 2]" 1
363 1 24 ARG QB 1 25 PHE H 4.020 . 4.020 2.580 2.379 3.490 . 0 0 "[ . 1 . 2]" 1
364 1 24 ARG QB 1 72 LEU QD 4.720 . 4.720 3.300 2.345 4.149 . 0 0 "[ . 1 . 2]" 1
365 1 24 ARG QD 1 25 PHE H 4.340 . 4.340 4.607 4.138 4.898 0.558 14 2 "[ . 1 +. -2]" 1
366 1 24 ARG QG 1 25 PHE H 5.020 . 5.020 3.897 2.237 4.513 . 0 0 "[ . 1 . 2]" 1
367 1 24 ARG QG 1 72 LEU QD 3.890 . 3.890 4.001 2.026 5.001 1.111 12 12 "[ **.****1 + ** **-2]" 1
368 1 25 PHE H 1 25 PHE HB2 3.770 . 3.770 2.588 2.453 2.734 . 0 0 "[ . 1 . 2]" 1
369 1 25 PHE H 1 25 PHE HB3 3.770 . 3.770 2.477 2.370 2.615 . 0 0 "[ . 1 . 2]" 1
370 1 25 PHE H 1 25 PHE QD 4.420 . 4.420 4.181 4.160 4.195 . 0 0 "[ . 1 . 2]" 1
371 1 25 PHE H 1 27 TYR QB 5.300 . 5.300 4.795 4.554 5.050 . 0 0 "[ . 1 . 2]" 1
372 1 25 PHE H 1 72 LEU HG 5.400 . 5.400 5.749 5.168 6.010 0.610 6 6 "[ * -.+ 1 * *. * 2]" 1
373 1 25 PHE HA 1 25 PHE QD 4.270 . 4.270 2.529 2.232 2.815 . 0 0 "[ . 1 . 2]" 1
374 1 25 PHE HA 1 28 PHE H 4.520 . 4.520 3.561 3.311 3.823 . 0 0 "[ . 1 . 2]" 1
375 1 25 PHE HA 1 28 PHE HB2 4.530 . 4.530 3.316 2.797 4.094 . 0 0 "[ . 1 . 2]" 1
376 1 25 PHE HA 1 68 ILE MG 4.020 . 4.020 4.051 3.606 4.361 0.341 20 0 "[ . 1 . 2]" 1
377 1 25 PHE HA 1 72 LEU QD 5.400 . 5.400 3.842 3.419 4.272 . 0 0 "[ . 1 . 2]" 1
378 1 25 PHE HA 1 72 LEU HG 3.740 . 3.740 3.559 3.100 4.089 0.349 17 0 "[ . 1 . 2]" 1
379 1 25 PHE QB 1 26 LYS H 4.080 . 4.080 2.409 2.272 2.714 . 0 0 "[ . 1 . 2]" 1
380 1 25 PHE HB2 1 26 LYS H 4.680 . 4.680 3.821 3.718 3.996 . 0 0 "[ . 1 . 2]" 1
381 1 25 PHE HB3 1 26 LYS H 4.680 . 4.680 2.436 2.292 2.761 . 0 0 "[ . 1 . 2]" 1
382 1 25 PHE QD 1 26 LYS H 4.500 . 4.500 3.374 2.961 3.673 . 0 0 "[ . 1 . 2]" 1
383 1 25 PHE QD 1 26 LYS HA 4.660 . 4.660 3.685 3.135 4.175 . 0 0 "[ . 1 . 2]" 1
384 1 25 PHE QD 1 29 ALA MB 4.160 . 4.160 3.961 3.439 4.287 0.127 10 0 "[ . 1 . 2]" 1
385 1 25 PHE QD 1 68 ILE MG 4.110 . 4.110 3.009 2.515 3.600 . 0 0 "[ . 1 . 2]" 1
386 1 25 PHE QD 1 72 LEU HG 4.050 . 4.050 3.712 3.102 4.468 0.418 17 0 "[ . 1 . 2]" 1
387 1 25 PHE QE 1 29 ALA MB 3.990 . 3.990 3.509 3.060 3.898 . 0 0 "[ . 1 . 2]" 1
388 1 25 PHE QE 1 52 LEU QD 5.000 . 5.000 4.158 3.337 4.935 . 0 0 "[ . 1 . 2]" 1
389 1 25 PHE QE 1 65 ALA HA 4.380 . 4.380 4.183 3.572 4.627 0.247 3 0 "[ . 1 . 2]" 1
390 1 25 PHE QE 1 65 ALA MB 4.290 . 4.290 3.902 3.441 4.171 . 0 0 "[ . 1 . 2]" 1
391 1 25 PHE QE 1 68 ILE MD 4.390 . 4.390 4.120 3.427 4.605 0.215 14 0 "[ . 1 . 2]" 1
392 1 25 PHE QE 1 68 ILE MG 4.410 . 4.410 2.783 2.183 3.503 . 0 0 "[ . 1 . 2]" 1
393 1 26 LYS H 1 26 LYS HB2 3.910 . 3.910 2.321 2.139 2.481 . 0 0 "[ . 1 . 2]" 1
394 1 26 LYS H 1 26 LYS HB3 3.910 . 3.910 3.471 2.740 3.596 . 0 0 "[ . 1 . 2]" 1
395 1 26 LYS H 1 26 LYS QG 4.250 . 4.250 2.877 2.189 4.051 . 0 0 "[ . 1 . 2]" 1
396 1 26 LYS H 1 27 TYR H 3.850 . 3.850 2.667 2.567 2.766 . 0 0 "[ . 1 . 2]" 1
397 1 26 LYS H 1 40 LEU QD 4.860 . 4.860 4.755 4.188 5.026 0.166 11 0 "[ . 1 . 2]" 1
398 1 26 LYS HA 1 26 LYS QD 4.040 . 4.040 3.263 1.969 4.187 0.147 11 0 "[ . 1 . 2]" 1
399 1 26 LYS HA 1 26 LYS QG 3.320 . 3.320 2.424 2.080 2.923 . 0 0 "[ . 1 . 2]" 1
400 1 26 LYS HA 1 26 LYS QZ 4.850 . 4.850 4.297 3.630 5.047 0.197 12 0 "[ . 1 . 2]" 1
401 1 26 LYS HA 1 29 ALA H 4.240 . 4.240 3.819 3.560 4.163 . 0 0 "[ . 1 . 2]" 1
402 1 26 LYS HA 1 29 ALA MB 3.590 . 3.590 3.135 2.575 3.628 0.038 10 0 "[ . 1 . 2]" 1
403 1 26 LYS HA 1 30 LEU HB2 4.410 . 4.410 3.796 3.311 4.409 . 0 0 "[ . 1 . 2]" 1
404 1 26 LYS HA 1 30 LEU QD 4.990 . 4.990 2.406 1.873 3.235 . 0 0 "[ . 1 . 2]" 1
405 1 26 LYS HA 1 30 LEU HG 4.320 . 4.320 4.228 2.770 5.012 0.692 13 6 "[ *. 1* +*. * -]" 1
406 1 26 LYS HA 1 35 ILE MG 5.500 . 5.500 4.516 3.287 6.004 0.504 12 1 "[ . 1 + . 2]" 1
407 1 26 LYS HA 1 40 LEU QD 5.440 . 5.440 5.443 4.683 6.053 0.613 12 1 "[ . 1 + . 2]" 1
408 1 26 LYS HA 1 48 LEU MD2 5.500 . 5.500 4.299 3.832 5.282 . 0 0 "[ . 1 . 2]" 1
409 1 26 LYS QB 1 26 LYS QZ 4.430 . 4.430 3.384 1.769 4.115 . 0 0 "[ . 1 . 2]" 1
410 1 26 LYS QB 1 27 TYR HA 4.430 . 4.430 3.905 3.796 3.967 . 0 0 "[ . 1 . 2]" 1
411 1 26 LYS QB 1 30 LEU QD 3.190 . 3.190 2.887 2.166 3.527 0.337 4 0 "[ . 1 . 2]" 1
412 1 26 LYS HB2 1 27 TYR H 4.020 . 4.020 2.991 2.617 3.724 . 0 0 "[ . 1 . 2]" 1
413 1 26 LYS HB2 1 27 TYR HA 5.080 . 5.080 4.642 4.244 5.536 0.456 4 0 "[ . 1 . 2]" 1
414 1 26 LYS HB2 1 27 TYR QB 5.500 . 5.500 4.369 3.958 5.221 . 0 0 "[ . 1 . 2]" 1
415 1 26 LYS HB3 1 27 TYR H 4.020 . 4.020 3.536 2.598 3.795 . 0 0 "[ . 1 . 2]" 1
416 1 26 LYS HB3 1 27 TYR HA 5.080 . 5.080 4.245 3.971 4.417 . 0 0 "[ . 1 . 2]" 1
417 1 26 LYS HB3 1 27 TYR QB 5.500 . 5.500 4.722 3.838 4.977 . 0 0 "[ . 1 . 2]" 1
418 1 26 LYS QD 1 30 LEU QD 3.910 . 3.910 3.325 1.810 4.770 0.860 11 2 "[ . 1+ - . 2]" 1
419 1 26 LYS QD 1 40 LEU QD 4.650 . 4.650 2.613 1.938 3.882 . 0 0 "[ . 1 . 2]" 1
420 1 26 LYS QE 1 30 LEU QD 4.420 . 4.420 3.809 2.277 4.777 0.357 1 0 "[ . 1 . 2]" 1
421 1 26 LYS QG 1 30 LEU QD 2.750 . 2.750 2.691 1.901 3.540 0.790 15 5 "[ . 1-* + * *]" 1
422 1 26 LYS QG 1 40 LEU QD 4.620 . 4.620 3.032 1.864 3.915 . 0 0 "[ . 1 . 2]" 1
423 1 26 LYS QG 1 48 LEU MD2 4.840 . 4.840 3.288 2.109 5.027 0.187 17 0 "[ . 1 . 2]" 1
424 1 26 LYS QG 1 48 LEU HG 4.710 . 4.710 4.190 2.924 5.021 0.311 15 0 "[ . 1 . 2]" 1
425 1 26 LYS QZ 1 40 LEU HA 4.710 . 4.710 3.563 2.299 4.967 0.257 16 0 "[ . 1 . 2]" 1
426 1 26 LYS QZ 1 40 LEU QD 4.620 . 4.620 2.483 1.768 3.586 . 0 0 "[ . 1 . 2]" 1
427 1 27 TYR H 1 27 TYR QB 3.180 . 3.180 2.257 2.228 2.273 . 0 0 "[ . 1 . 2]" 1
428 1 27 TYR H 1 27 TYR QD 4.510 . 4.510 4.202 4.176 4.212 . 0 0 "[ . 1 . 2]" 1
429 1 27 TYR H 1 40 LEU QD 5.440 . 5.440 5.827 5.107 6.060 0.620 12 8 "[* .-* *1*+ . ** 2]" 1
430 1 27 TYR HA 1 27 TYR QD 4.070 . 4.070 2.828 2.397 3.018 . 0 0 "[ . 1 . 2]" 1
431 1 27 TYR HA 1 30 LEU H 4.380 . 4.380 4.283 4.047 4.490 0.110 9 0 "[ . 1 . 2]" 1
432 1 27 TYR HA 1 30 LEU QD 4.610 . 4.610 4.809 4.430 5.033 0.423 15 0 "[ . 1 . 2]" 1
433 1 27 TYR QB 1 28 PHE H 3.530 . 3.530 2.705 2.371 2.954 . 0 0 "[ . 1 . 2]" 1
434 1 27 TYR QB 1 28 PHE QD 3.920 . 3.920 4.222 2.593 4.897 0.977 13 12 "[* ***- **** + * *2]" 1
435 1 27 TYR QB 1 29 ALA H 5.500 . 5.500 5.066 4.781 5.272 . 0 0 "[ . 1 . 2]" 1
436 1 27 TYR QB 1 31 THR MG 5.470 . 5.470 5.189 4.725 5.521 0.051 12 0 "[ . 1 . 2]" 1
437 1 27 TYR QD 1 28 PHE H 4.520 . 4.520 3.704 3.257 4.051 . 0 0 "[ . 1 . 2]" 1
438 1 28 PHE H 1 28 PHE HB2 3.520 . 3.520 2.322 2.180 2.404 . 0 0 "[ . 1 . 2]" 1
439 1 28 PHE H 1 28 PHE QD 4.030 . 4.030 3.492 2.307 4.124 0.094 19 0 "[ . 1 . 2]" 1
440 1 28 PHE H 1 29 ALA H 3.710 . 3.710 2.652 2.573 2.867 . 0 0 "[ . 1 . 2]" 1
441 1 28 PHE H 1 29 ALA MB 4.460 . 4.460 4.324 4.232 4.554 0.094 10 0 "[ . 1 . 2]" 1
442 1 28 PHE H 1 30 LEU H 4.420 . 4.420 4.133 4.021 4.321 . 0 0 "[ . 1 . 2]" 1
443 1 28 PHE H 1 31 THR MG 5.390 . 5.390 4.807 4.671 5.020 . 0 0 "[ . 1 . 2]" 1
444 1 28 PHE H 1 68 ILE MG 4.580 . 4.580 4.946 4.654 5.050 0.470 12 0 "[ . 1 . 2]" 1
445 1 28 PHE HA 1 28 PHE QD 4.140 . 4.140 2.868 2.427 3.073 . 0 0 "[ . 1 . 2]" 1
446 1 28 PHE HB2 1 29 ALA H 4.100 . 4.100 3.091 2.422 3.532 . 0 0 "[ . 1 . 2]" 1
447 1 28 PHE HB2 1 31 THR MG 5.290 . 5.290 5.307 5.152 5.461 0.171 8 0 "[ . 1 . 2]" 1
448 1 28 PHE HB2 1 68 ILE MG 3.990 . 3.990 3.734 3.071 4.309 0.319 9 0 "[ . 1 . 2]" 1
449 1 28 PHE HB2 1 72 LEU QD 4.900 . 4.900 3.296 2.534 3.692 . 0 0 "[ . 1 . 2]" 1
450 1 28 PHE HB2 1 72 LEU HG 4.080 . 4.080 3.399 3.125 3.650 . 0 0 "[ . 1 . 2]" 1
451 1 28 PHE HB3 1 29 ALA MB 4.070 . 4.070 3.930 3.565 4.589 0.519 12 1 "[ . 1 + . 2]" 1
452 1 28 PHE HB3 1 31 THR MG 5.130 . 5.130 4.953 4.519 5.301 0.171 1 0 "[ . 1 . 2]" 1
453 1 28 PHE HB3 1 68 ILE MD 4.040 . 4.040 4.480 3.835 4.906 0.866 11 8 "[ *-* * *1+* .* 2]" 1
454 1 28 PHE HB3 1 68 ILE MG 3.990 . 3.990 2.904 2.412 3.524 . 0 0 "[ . 1 . 2]" 1
455 1 28 PHE HB3 1 72 LEU HG 5.000 . 5.000 3.655 2.896 4.475 . 0 0 "[ . 1 . 2]" 1
456 1 28 PHE QD 1 31 THR MG 4.960 . 4.960 4.637 4.203 4.862 . 0 0 "[ . 1 . 2]" 1
457 1 28 PHE QD 1 68 ILE MG 4.280 . 4.280 2.945 1.864 4.574 0.294 16 0 "[ . 1 . 2]" 1
458 1 28 PHE QD 1 72 LEU HG 4.950 . 4.950 3.619 3.124 4.273 . 0 0 "[ . 1 . 2]" 1
459 1 29 ALA H 1 29 ALA MB 3.280 . 3.280 2.240 2.231 2.253 . 0 0 "[ . 1 . 2]" 1
460 1 29 ALA H 1 30 LEU H 3.920 . 3.920 2.742 2.651 2.852 . 0 0 "[ . 1 . 2]" 1
461 1 29 ALA H 1 68 ILE MD 4.330 . 4.330 4.344 3.933 4.710 0.380 11 0 "[ . 1 . 2]" 1
462 1 29 ALA H 1 68 ILE MG 4.140 . 4.140 3.461 3.188 3.610 . 0 0 "[ . 1 . 2]" 1
463 1 29 ALA H 1 72 LEU HG 5.500 . 5.500 5.446 4.527 5.848 0.348 6 0 "[ . 1 . 2]" 1
464 1 29 ALA HA 1 64 LYS QZ 4.650 . 4.650 4.547 3.338 5.031 0.381 19 0 "[ . 1 . 2]" 1
465 1 29 ALA HA 1 68 ILE MD 3.450 . 3.450 2.711 2.474 2.979 . 0 0 "[ . 1 . 2]" 1
466 1 29 ALA HA 1 68 ILE QG 4.710 . 4.710 4.690 4.517 4.797 0.087 8 0 "[ . 1 . 2]" 1
467 1 29 ALA MB 1 30 LEU H 3.390 . 3.390 2.328 2.295 2.367 . 0 0 "[ . 1 . 2]" 1
468 1 29 ALA MB 1 30 LEU QD 3.520 . 3.520 2.283 1.778 3.141 . 0 0 "[ . 1 . 2]" 1
469 1 29 ALA MB 1 33 PHE QD 4.740 . 4.740 5.029 4.966 5.062 0.322 3 0 "[ . 1 . 2]" 1
470 1 29 ALA MB 1 52 LEU QB 4.970 . 4.970 4.486 3.951 4.721 . 0 0 "[ . 1 . 2]" 1
471 1 29 ALA MB 1 52 LEU QD 4.220 . 4.220 4.612 4.200 4.881 0.661 1 10 "[+**** -* * * . *]" 1
472 1 29 ALA MB 1 64 LYS QZ 4.070 . 4.070 3.330 2.130 4.570 0.500 17 0 "[ . 1 . 2]" 1
473 1 29 ALA MB 1 68 ILE HB 4.520 . 4.520 3.835 3.561 4.097 . 0 0 "[ . 1 . 2]" 1
474 1 29 ALA MB 1 68 ILE MD 3.580 . 3.580 2.664 2.360 3.187 . 0 0 "[ . 1 . 2]" 1
475 1 29 ALA MB 1 68 ILE QG 5.300 . 5.300 4.370 4.109 4.815 . 0 0 "[ . 1 . 2]" 1
476 1 29 ALA MB 1 68 ILE MG 4.290 . 4.290 2.606 2.259 2.947 . 0 0 "[ . 1 . 2]" 1
477 1 30 LEU H 1 30 LEU HB2 3.490 . 3.490 2.584 2.463 2.687 . 0 0 "[ . 1 . 2]" 1
478 1 30 LEU H 1 30 LEU MD1 4.140 . 4.140 3.119 2.073 3.631 . 0 0 "[ . 1 . 2]" 1
479 1 30 LEU H 1 30 LEU QD 3.550 . 3.550 2.353 1.780 3.163 . 0 0 "[ . 1 . 2]" 1
480 1 30 LEU H 1 30 LEU MD2 4.140 . 4.140 2.792 1.797 4.164 0.024 18 0 "[ . 1 . 2]" 1
481 1 30 LEU H 1 30 LEU HG 4.000 . 4.000 3.316 2.210 4.121 0.121 20 0 "[ . 1 . 2]" 1
482 1 30 LEU H 1 31 THR H 4.020 . 4.020 4.034 4.022 4.052 0.032 1 0 "[ . 1 . 2]" 1
483 1 30 LEU H 1 68 ILE MD 5.270 . 5.270 5.552 5.309 5.840 0.570 11 1 "[ . 1+ . 2]" 1
484 1 30 LEU HA 1 30 LEU MD1 4.120 . 4.120 2.923 2.003 3.969 . 0 0 "[ . 1 . 2]" 1
485 1 30 LEU HA 1 30 LEU QD 3.140 . 3.140 2.262 1.981 2.983 . 0 0 "[ . 1 . 2]" 1
486 1 30 LEU HA 1 30 LEU MD2 4.120 . 4.120 2.941 2.201 3.651 . 0 0 "[ . 1 . 2]" 1
487 1 30 LEU HA 1 30 LEU HG 3.900 . 3.900 3.332 2.443 3.751 . 0 0 "[ . 1 . 2]" 1
488 1 30 LEU HA 1 33 PHE QB 4.530 . 4.530 3.090 2.928 3.343 . 0 0 "[ . 1 . 2]" 1
489 1 30 LEU HA 1 33 PHE QD 4.000 . 4.000 1.853 1.769 2.055 . 0 0 "[ . 1 . 2]" 1
490 1 30 LEU HA 1 35 ILE H 5.100 . 5.100 5.368 4.888 5.840 0.740 5 2 "[ + 1 .- 2]" 1
491 1 30 LEU HB2 1 31 THR H 4.440 . 4.440 4.427 4.377 4.488 0.048 14 0 "[ . 1 . 2]" 1
492 1 30 LEU HB2 1 35 ILE H 4.600 . 4.600 3.223 2.733 3.727 . 0 0 "[ . 1 . 2]" 1
493 1 30 LEU HB2 1 35 ILE MG 4.300 . 4.300 3.916 2.186 5.037 0.737 1 9 "[+ *-* * *1 * . * *2]" 1
494 1 30 LEU HB3 1 31 THR H 4.100 . 4.100 4.003 3.968 4.030 . 0 0 "[ . 1 . 2]" 1
495 1 30 LEU HB3 1 32 GLU H 5.500 . 5.500 4.936 4.765 5.031 . 0 0 "[ . 1 . 2]" 1
496 1 30 LEU HB3 1 33 PHE QD 3.910 . 3.910 2.803 2.361 3.161 . 0 0 "[ . 1 . 2]" 1
497 1 30 LEU HB3 1 35 ILE H 4.080 . 4.080 3.062 2.505 3.688 . 0 0 "[ . 1 . 2]" 1
498 1 30 LEU QD 1 33 PHE QB 4.230 . 4.230 2.323 1.974 2.930 . 0 0 "[ . 1 . 2]" 1
499 1 30 LEU QD 1 33 PHE QE 3.960 . 3.960 3.363 2.942 4.467 0.507 18 1 "[ . 1 . + 2]" 1
500 1 30 LEU QD 1 35 ILE HA 5.180 . 5.180 4.373 3.244 5.230 0.050 19 0 "[ . 1 . 2]" 1
501 1 30 LEU QD 1 35 ILE MD 2.880 . 2.880 2.119 1.748 2.647 . 0 0 "[ . 1 . 2]" 1
502 1 30 LEU QD 1 35 ILE QG 4.550 . 4.550 3.131 2.232 3.926 . 0 0 "[ . 1 . 2]" 1
503 1 30 LEU QD 1 55 SER QB 4.470 . 4.470 3.948 3.230 4.772 0.302 9 0 "[ . 1 . 2]" 1
504 1 30 LEU MD1 1 35 ILE MD 4.170 . 4.170 2.682 1.873 3.542 . 0 0 "[ . 1 . 2]" 1
505 1 30 LEU MD1 1 51 HIS HB3 4.940 . 4.940 4.509 3.697 4.991 0.051 18 0 "[ . 1 . 2]" 1
506 1 30 LEU MD2 1 35 ILE MD 4.170 . 4.170 2.527 1.947 3.810 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU MD2 1 51 HIS HB3 4.940 . 4.940 4.447 3.366 5.023 0.083 20 0 "[ . 1 . 2]" 1
508 1 30 LEU HG 1 33 PHE QD 4.330 . 4.330 3.959 2.711 4.406 0.076 11 0 "[ . 1 . 2]" 1
509 1 31 THR H 1 31 THR HB 3.990 . 3.990 3.670 3.662 3.677 . 0 0 "[ . 1 . 2]" 1
510 1 31 THR H 1 31 THR MG 3.600 . 3.600 2.401 2.291 2.491 . 0 0 "[ . 1 . 2]" 1
511 1 31 THR H 1 32 GLU H 3.590 . 3.590 2.392 2.353 2.425 . 0 0 "[ . 1 . 2]" 1
512 1 31 THR H 1 32 GLU QB 4.860 . 4.860 4.595 4.289 4.912 0.052 18 0 "[ . 1 . 2]" 1
513 1 31 THR H 1 33 PHE H 4.600 . 4.600 3.268 3.175 3.445 . 0 0 "[ . 1 . 2]" 1
514 1 31 THR HA 1 31 THR MG 2.660 . 2.660 2.369 2.336 2.411 . 0 0 "[ . 1 . 2]" 1
515 1 31 THR MG 1 32 GLU H 4.620 . 4.620 3.771 3.728 3.822 . 0 0 "[ . 1 . 2]" 1
516 1 31 THR MG 1 33 PHE H 4.990 . 4.990 5.021 5.000 5.048 0.058 19 0 "[ . 1 . 2]" 1
517 1 31 THR MG 1 33 PHE QD 5.450 . 5.450 5.002 4.747 5.244 . 0 0 "[ . 1 . 2]" 1
518 1 32 GLU H 1 32 GLU QB 3.370 . 3.370 2.515 2.331 2.789 . 0 0 "[ . 1 . 2]" 1
519 1 32 GLU H 1 32 GLU QG 4.320 . 4.320 2.661 1.919 4.066 . 0 0 "[ . 1 . 2]" 1
520 1 32 GLU H 1 33 PHE H 3.840 . 3.840 2.287 2.187 2.522 . 0 0 "[ . 1 . 2]" 1
521 1 32 GLU H 1 33 PHE QD 4.400 . 4.400 3.602 3.191 4.025 . 0 0 "[ . 1 . 2]" 1
522 1 32 GLU HA 1 32 GLU QG 3.630 . 3.630 2.800 2.415 3.341 . 0 0 "[ . 1 . 2]" 1
523 1 32 GLU HA 1 34 GLN H 4.610 . 4.610 3.916 3.817 4.091 . 0 0 "[ . 1 . 2]" 1
524 1 32 GLU QB 1 33 PHE H 4.080 . 4.080 3.362 3.091 3.949 . 0 0 "[ . 1 . 2]" 1
525 1 32 GLU QB 1 33 PHE QD 4.500 . 4.500 4.407 4.062 4.979 0.479 18 0 "[ . 1 . 2]" 1
526 1 33 PHE H 1 33 PHE QB 3.500 . 3.500 2.455 2.370 2.545 . 0 0 "[ . 1 . 2]" 1
527 1 33 PHE H 1 33 PHE QD 3.900 . 3.900 2.719 2.324 3.065 . 0 0 "[ . 1 . 2]" 1
528 1 33 PHE H 1 34 GLN H 4.110 . 4.110 2.352 2.060 2.436 . 0 0 "[ . 1 . 2]" 1
529 1 33 PHE HA 1 35 ILE H 5.360 . 5.360 5.264 4.251 5.447 0.087 13 0 "[ . 1 . 2]" 1
530 1 33 PHE QB 1 35 ILE H 4.670 . 4.670 3.459 2.643 3.620 . 0 0 "[ . 1 . 2]" 1
531 1 33 PHE QB 1 35 ILE HB 4.760 . 4.760 4.077 3.331 4.953 0.193 1 0 "[ . 1 . 2]" 1
532 1 33 PHE QB 1 55 SER QB 5.030 . 5.030 5.404 4.261 5.975 0.945 6 10 "[ *.+ *1-* **** *2]" 1
533 1 33 PHE QD 1 52 LEU HA 5.440 . 5.440 5.694 4.842 6.014 0.574 13 6 "[ * *.* - + . *2]" 1
534 1 33 PHE QD 1 55 SER QB 4.470 . 4.470 4.462 3.662 5.028 0.558 6 1 "[ .+ 1 . 2]" 1
535 1 34 GLN H 1 34 GLN QB 3.660 . 3.660 2.986 2.760 3.268 . 0 0 "[ . 1 . 2]" 1
536 1 34 GLN H 1 34 GLN QG 4.390 . 4.390 3.539 2.490 4.419 0.029 15 0 "[ . 1 . 2]" 1
537 1 34 GLN H 1 35 ILE H 4.050 . 4.050 3.195 2.895 3.290 . 0 0 "[ . 1 . 2]" 1
538 1 34 GLN HA 1 34 GLN QG 3.440 . 3.440 2.681 2.353 2.947 . 0 0 "[ . 1 . 2]" 1
539 1 34 GLN HA 1 35 ILE H 3.510 . 3.510 2.526 2.455 2.952 . 0 0 "[ . 1 . 2]" 1
540 1 34 GLN QB 1 34 GLN QG 2.310 . 2.310 2.036 1.991 2.087 . 0 0 "[ . 1 . 2]" 1
541 1 34 GLN QB 1 35 ILE H 4.450 . 4.450 3.965 3.802 4.058 . 0 0 "[ . 1 . 2]" 1
542 1 34 GLN QG 1 35 ILE H 4.740 . 4.740 4.396 3.988 4.874 0.134 9 0 "[ . 1 . 2]" 1
543 1 35 ILE H 1 35 ILE HB 3.870 . 3.870 2.371 2.210 2.549 . 0 0 "[ . 1 . 2]" 1
544 1 35 ILE H 1 35 ILE MD 4.120 . 4.120 3.930 2.415 4.396 0.276 13 0 "[ . 1 . 2]" 1
545 1 35 ILE H 1 35 ILE QG 4.710 . 4.710 3.364 2.271 4.079 . 0 0 "[ . 1 . 2]" 1
546 1 35 ILE H 1 35 ILE MG 3.850 . 3.850 2.946 2.045 3.757 . 0 0 "[ . 1 . 2]" 1
547 1 35 ILE H 1 36 ALA H 4.710 . 4.710 4.612 4.526 4.661 . 0 0 "[ . 1 . 2]" 1
548 1 35 ILE HA 1 35 ILE MD 4.120 . 4.120 3.399 2.006 3.795 . 0 0 "[ . 1 . 2]" 1
549 1 35 ILE HA 1 35 ILE MG 3.600 . 3.600 2.914 2.501 3.207 . 0 0 "[ . 1 . 2]" 1
550 1 35 ILE HA 1 36 ALA H 3.210 . 3.210 2.230 2.139 2.370 . 0 0 "[ . 1 . 2]" 1
551 1 35 ILE HB 1 35 ILE MD 3.110 . 3.110 2.381 2.281 2.503 . 0 0 "[ . 1 . 2]" 1
552 1 35 ILE MD 1 35 ILE MG 3.390 . 3.390 2.250 1.858 3.253 . 0 0 "[ . 1 . 2]" 1
553 1 35 ILE MD 1 36 ALA H 4.630 . 4.630 4.171 2.650 4.841 0.211 12 0 "[ . 1 . 2]" 1
554 1 35 ILE MD 1 36 ALA MB 5.110 . 5.110 4.992 3.854 5.590 0.480 4 0 "[ . 1 . 2]" 1
555 1 35 ILE MD 1 51 HIS HB2 4.310 . 4.310 3.336 2.973 3.749 . 0 0 "[ . 1 . 2]" 1
556 1 35 ILE MD 1 51 HIS HB3 3.640 . 3.640 2.905 2.645 3.119 . 0 0 "[ . 1 . 2]" 1
557 1 35 ILE MD 1 52 LEU HA 4.330 . 4.330 5.047 4.976 5.092 0.762 1 20 [+**********-********] 1
558 1 35 ILE MD 1 52 LEU QB 4.360 . 4.360 4.693 4.335 4.874 0.514 20 2 "[ . 1 - . +]" 1
559 1 35 ILE QG 1 36 ALA H 4.410 . 4.410 2.871 1.789 3.820 . 0 0 "[ . 1 . 2]" 1
560 1 35 ILE QG 1 36 ALA MB 4.040 . 4.040 4.157 3.336 5.062 1.022 12 9 "[* *** * -1 + . * *2]" 1
561 1 35 ILE MG 1 36 ALA H 3.730 . 3.730 2.989 2.317 3.773 0.043 2 0 "[ . 1 . 2]" 1
562 1 35 ILE MG 1 36 ALA HA 4.140 . 4.140 4.053 3.685 4.401 0.261 2 0 "[ . 1 . 2]" 1
563 1 35 ILE MG 1 36 ALA MB 4.460 . 4.460 3.885 3.153 4.618 0.158 13 0 "[ . 1 . 2]" 1
564 1 35 ILE MG 1 37 ARG H 4.370 . 4.370 4.467 4.001 4.683 0.313 4 0 "[ . 1 . 2]" 1
565 1 35 ILE MG 1 38 SER H 5.500 . 5.500 5.599 5.119 5.999 0.499 13 0 "[ . 1 . 2]" 1
566 1 36 ALA H 1 36 ALA MB 3.060 . 3.060 2.240 2.208 2.347 . 0 0 "[ . 1 . 2]" 1
567 1 36 ALA H 1 37 ARG H 4.650 . 4.650 4.547 4.446 4.622 . 0 0 "[ . 1 . 2]" 1
568 1 36 ALA H 1 38 SER H 5.500 . 5.500 5.551 5.235 6.026 0.526 20 2 "[ . 1 - . +]" 1
569 1 36 ALA HA 1 37 ARG H 3.090 . 3.090 2.160 2.132 2.226 . 0 0 "[ . 1 . 2]" 1
570 1 36 ALA HA 1 37 ARG QB 4.520 . 4.520 4.305 4.054 4.464 . 0 0 "[ . 1 . 2]" 1
571 1 36 ALA HA 1 39 THR H 4.870 . 4.870 4.612 4.408 4.827 . 0 0 "[ . 1 . 2]" 1
572 1 36 ALA MB 1 37 ARG H 3.530 . 3.530 3.029 2.743 3.220 . 0 0 "[ . 1 . 2]" 1
573 1 36 ALA MB 1 37 ARG HA 4.610 . 4.610 4.465 4.413 4.499 . 0 0 "[ . 1 . 2]" 1
574 1 36 ALA MB 1 38 SER H 3.660 . 3.660 2.783 2.571 3.170 . 0 0 "[ . 1 . 2]" 1
575 1 36 ALA MB 1 39 THR H 3.900 . 3.900 2.742 2.467 3.032 . 0 0 "[ . 1 . 2]" 1
576 1 36 ALA MB 1 39 THR HA 5.030 . 5.030 4.425 3.953 4.966 . 0 0 "[ . 1 . 2]" 1
577 1 36 ALA MB 1 39 THR HB 4.680 . 4.680 4.073 2.284 4.807 0.127 11 0 "[ . 1 . 2]" 1
578 1 36 ALA MB 1 39 THR HG1 4.620 . 4.620 3.383 1.827 4.577 . 0 0 "[ . 1 . 2]" 1
579 1 37 ARG H 1 37 ARG QB 3.220 . 3.220 2.456 2.213 2.632 . 0 0 "[ . 1 . 2]" 1
580 1 37 ARG H 1 37 ARG QD 5.140 . 5.140 3.940 1.905 4.777 . 0 0 "[ . 1 . 2]" 1
581 1 37 ARG H 1 37 ARG QG 4.370 . 4.370 2.582 1.819 4.017 . 0 0 "[ . 1 . 2]" 1
582 1 37 ARG H 1 38 SER H 3.750 . 3.750 2.597 2.564 2.706 . 0 0 "[ . 1 . 2]" 1
583 1 37 ARG H 1 40 LEU QD 4.990 . 4.990 4.485 3.846 5.096 0.106 12 0 "[ . 1 . 2]" 1
584 1 37 ARG HA 1 37 ARG QD 3.910 . 3.910 4.083 2.080 4.560 0.650 11 7 "[* -*. *1+ . **2]" 1
585 1 37 ARG HA 1 37 ARG QG 3.510 . 3.510 3.194 2.513 3.447 . 0 0 "[ . 1 . 2]" 1
586 1 37 ARG HA 1 40 LEU H 4.350 . 4.350 3.715 3.208 3.968 . 0 0 "[ . 1 . 2]" 1
587 1 37 ARG HA 1 40 LEU QB 5.050 . 5.050 4.007 2.655 4.551 . 0 0 "[ . 1 . 2]" 1
588 1 37 ARG HA 1 40 LEU QD 3.460 . 3.460 2.352 1.813 3.303 . 0 0 "[ . 1 . 2]" 1
589 1 37 ARG QB 1 38 SER H 3.940 . 3.940 3.358 2.387 3.677 . 0 0 "[ . 1 . 2]" 1
590 1 37 ARG QD 1 37 ARG QG 2.360 . 2.360 2.032 1.985 2.091 . 0 0 "[ . 1 . 2]" 1
591 1 37 ARG QD 1 37 ARG QH1 3.330 . 3.330 1.968 1.818 2.009 . 0 0 "[ . 1 . 2]" 1
592 1 37 ARG QD 1 38 SER HA 3.660 . 3.660 4.807 2.618 5.050 1.390 8 18 "[***-***+**** ******]" 1
593 1 37 ARG QD 1 40 LEU QD 4.300 . 4.300 4.048 1.823 4.885 0.585 19 2 "[ . 1- . +2]" 1
594 1 37 ARG QG 1 38 SER H 4.770 . 4.770 2.712 1.972 3.872 . 0 0 "[ . 1 . 2]" 1
595 1 37 ARG QG 1 39 THR H 5.340 . 5.340 4.662 4.286 5.237 . 0 0 "[ . 1 . 2]" 1
596 1 37 ARG QG 1 40 LEU H 5.340 . 5.340 4.962 4.146 5.802 0.462 14 0 "[ . 1 . 2]" 1
597 1 37 ARG QG 1 40 LEU QD 3.950 . 3.950 3.671 1.854 4.536 0.586 11 1 "[ . 1+ . 2]" 1
598 1 38 SER H 1 38 SER QB 3.290 . 3.290 2.461 2.258 2.582 . 0 0 "[ . 1 . 2]" 1
599 1 38 SER H 1 39 THR H 3.910 . 3.910 2.614 2.510 2.786 . 0 0 "[ . 1 . 2]" 1
600 1 38 SER H 1 39 THR HG1 5.500 . 5.500 5.334 4.459 5.846 0.346 14 0 "[ . 1 . 2]" 1
601 1 38 SER H 1 40 LEU QD 5.440 . 5.440 4.421 3.768 5.300 . 0 0 "[ . 1 . 2]" 1
602 1 38 SER HA 1 41 ASP QB 4.570 . 4.570 4.833 4.170 5.036 0.466 10 0 "[ . 1 . 2]" 1
603 1 39 THR H 1 39 THR HB 3.760 . 3.760 3.414 2.360 3.631 . 0 0 "[ . 1 . 2]" 1
604 1 39 THR H 1 39 THR HG1 3.960 . 3.960 3.184 2.352 3.699 . 0 0 "[ . 1 . 2]" 1
605 1 39 THR H 1 40 LEU H 3.690 . 3.690 2.650 2.453 2.762 . 0 0 "[ . 1 . 2]" 1
606 1 39 THR HA 1 41 ASP H 4.870 . 4.870 3.362 3.263 3.470 . 0 0 "[ . 1 . 2]" 1
607 1 39 THR HA 1 41 ASP QB 4.250 . 4.250 3.797 3.703 3.925 . 0 0 "[ . 1 . 2]" 1
608 1 39 THR HB 1 40 LEU H 4.230 . 4.230 3.906 3.022 4.155 . 0 0 "[ . 1 . 2]" 1
609 1 39 THR HB 1 41 ASP H 5.300 . 5.300 4.871 4.796 4.987 . 0 0 "[ . 1 . 2]" 1
610 1 39 THR HG1 1 40 LEU H 4.540 . 4.540 3.757 2.362 5.003 0.463 17 0 "[ . 1 . 2]" 1
611 1 40 LEU H 1 40 LEU HB2 3.700 . 3.700 2.412 2.142 3.588 . 0 0 "[ . 1 . 2]" 1
612 1 40 LEU H 1 40 LEU HB3 3.700 . 3.700 3.473 2.698 3.603 . 0 0 "[ . 1 . 2]" 1
613 1 40 LEU H 1 40 LEU QD 4.930 . 4.930 2.662 2.084 3.385 . 0 0 "[ . 1 . 2]" 1
614 1 40 LEU H 1 41 ASP H 3.780 . 3.780 2.839 2.758 2.922 . 0 0 "[ . 1 . 2]" 1
615 1 40 LEU H 1 41 ASP QB 4.760 . 4.760 4.602 4.503 4.795 0.035 7 0 "[ . 1 . 2]" 1
616 1 40 LEU HA 1 40 LEU QD 4.040 . 4.040 2.211 1.891 3.418 . 0 0 "[ . 1 . 2]" 1
617 1 40 LEU QB 1 41 ASP H 4.070 . 4.070 3.121 2.876 3.754 . 0 0 "[ . 1 . 2]" 1
618 1 40 LEU HB2 1 41 ASP H 4.760 . 4.760 3.340 2.984 4.074 . 0 0 "[ . 1 . 2]" 1
619 1 40 LEU HB3 1 41 ASP H 4.760 . 4.760 3.854 3.047 4.397 . 0 0 "[ . 1 . 2]" 1
620 1 40 LEU QD 1 41 ASP H 5.370 . 5.370 4.142 2.749 4.385 . 0 0 "[ . 1 . 2]" 1
621 1 40 LEU QD 1 41 ASP HA 5.440 . 5.440 5.079 2.730 5.295 . 0 0 "[ . 1 . 2]" 1
622 1 41 ASP H 1 41 ASP QB 3.510 . 3.510 2.254 2.235 2.303 . 0 0 "[ . 1 . 2]" 1
623 1 41 ASP H 1 42 VAL H 4.040 . 4.040 2.845 2.702 3.017 . 0 0 "[ . 1 . 2]" 1
624 1 41 ASP H 1 42 VAL QG 4.740 . 4.740 3.996 3.881 4.178 . 0 0 "[ . 1 . 2]" 1
625 1 41 ASP HA 1 42 VAL QG 5.250 . 5.250 4.010 3.844 4.239 . 0 0 "[ . 1 . 2]" 1
626 1 41 ASP QB 1 42 VAL H 3.750 . 3.750 2.367 2.034 2.686 . 0 0 "[ . 1 . 2]" 1
627 1 41 ASP QB 1 42 VAL QG 4.320 . 4.320 2.584 2.490 2.686 . 0 0 "[ . 1 . 2]" 1
628 1 42 VAL H 1 42 VAL HB 4.100 . 4.100 3.764 3.667 3.859 . 0 0 "[ . 1 . 2]" 1
629 1 42 VAL H 1 42 VAL QG 3.210 . 3.210 2.046 1.822 2.219 . 0 0 "[ . 1 . 2]" 1
630 1 42 VAL H 1 43 ALA H 3.780 . 3.780 2.104 1.783 2.405 . 0 0 "[ . 1 . 2]" 1
631 1 42 VAL H 1 43 ALA MB 4.420 . 4.420 3.734 3.454 3.972 . 0 0 "[ . 1 . 2]" 1
632 1 42 VAL HA 1 42 VAL QG 3.300 . 3.300 2.236 2.180 2.271 . 0 0 "[ . 1 . 2]" 1
633 1 42 VAL HA 1 44 ASP H 3.910 . 3.910 3.493 3.335 3.659 . 0 0 "[ . 1 . 2]" 1
634 1 42 VAL HB 1 43 ALA H 4.430 . 4.430 4.302 4.233 4.355 . 0 0 "[ . 1 . 2]" 1
635 1 42 VAL HB 1 44 ASP H 4.930 . 4.930 4.923 4.729 5.037 0.107 13 0 "[ . 1 . 2]" 1
636 1 42 VAL HB 1 45 ARG QD 4.490 . 4.490 3.770 3.119 4.942 0.452 8 0 "[ . 1 . 2]" 1
637 1 42 VAL HB 1 47 GLU QB 3.890 . 3.890 4.923 4.880 4.971 1.081 12 20 [***********+-*******] 1
638 1 42 VAL QG 1 43 ALA H 4.200 . 4.200 3.180 2.976 3.238 . 0 0 "[ . 1 . 2]" 1
639 1 42 VAL QG 1 43 ALA HA 4.300 . 4.300 3.569 3.392 3.749 . 0 0 "[ . 1 . 2]" 1
640 1 42 VAL QG 1 43 ALA MB 4.420 . 4.420 4.039 3.800 4.150 . 0 0 "[ . 1 . 2]" 1
641 1 42 VAL QG 1 44 ASP H 4.810 . 4.810 4.464 4.380 4.559 . 0 0 "[ . 1 . 2]" 1
642 1 42 VAL QG 1 45 ARG H 4.830 . 4.830 4.388 4.211 4.539 . 0 0 "[ . 1 . 2]" 1
643 1 42 VAL QG 1 45 ARG QG 3.990 . 3.990 3.386 3.093 3.965 . 0 0 "[ . 1 . 2]" 1
644 1 42 VAL QG 1 47 GLU H 4.600 . 4.600 3.351 2.564 3.772 . 0 0 "[ . 1 . 2]" 1
645 1 42 VAL QG 1 47 GLU QB 4.000 . 4.000 3.215 2.907 3.545 . 0 0 "[ . 1 . 2]" 1
646 1 42 VAL QG 1 47 GLU QG 3.740 . 3.740 3.702 2.270 4.596 0.856 9 3 "[ * - +1 . 2]" 1
647 1 43 ALA H 1 43 ALA MB 3.240 . 3.240 2.225 2.183 2.255 . 0 0 "[ . 1 . 2]" 1
648 1 43 ALA H 1 44 ASP H 4.580 . 4.580 2.853 2.726 3.003 . 0 0 "[ . 1 . 2]" 1
649 1 43 ALA HA 1 44 ASP H 3.550 . 3.550 3.495 3.459 3.545 . 0 0 "[ . 1 . 2]" 1
650 1 43 ALA HA 1 47 GLU QB 4.340 . 4.340 1.680 1.662 1.692 . 0 0 "[ . 1 . 2]" 1
651 1 43 ALA HA 1 47 GLU QG 4.490 . 4.490 3.572 3.435 3.787 . 0 0 "[ . 1 . 2]" 1
652 1 43 ALA HA 1 48 LEU HG 4.230 . 4.230 4.332 3.390 5.047 0.817 4 10 "[ * +. ** * **.-* *]" 1
653 1 43 ALA MB 1 44 ASP H 3.640 . 3.640 2.732 2.554 2.843 . 0 0 "[ . 1 . 2]" 1
654 1 43 ALA MB 1 44 ASP HA 3.720 . 3.720 3.760 3.712 3.797 0.077 5 0 "[ . 1 . 2]" 1
655 1 43 ALA MB 1 45 ARG H 4.560 . 4.560 4.906 4.836 4.970 0.410 11 0 "[ . 1 . 2]" 1
656 1 43 ALA MB 1 47 GLU QB 3.840 . 3.840 2.650 2.265 2.991 . 0 0 "[ . 1 . 2]" 1
657 1 43 ALA MB 1 48 LEU H 4.310 . 4.310 2.791 2.549 2.983 . 0 0 "[ . 1 . 2]" 1
658 1 43 ALA MB 1 48 LEU HA 3.880 . 3.880 3.890 3.549 4.141 0.261 7 0 "[ . 1 . 2]" 1
659 1 43 ALA MB 1 48 LEU MD2 4.010 . 4.010 3.699 2.786 4.416 0.406 7 0 "[ . 1 . 2]" 1
660 1 43 ALA MB 1 48 LEU HG 3.550 . 3.550 2.478 1.755 3.308 . 0 0 "[ . 1 . 2]" 1
661 1 43 ALA MB 1 49 ALA H 4.770 . 4.770 5.014 4.632 5.171 0.401 9 0 "[ . 1 . 2]" 1
662 1 44 ASP H 1 44 ASP QB 3.480 . 3.480 2.531 2.475 2.584 . 0 0 "[ . 1 . 2]" 1
663 1 44 ASP H 1 45 ARG H 3.830 . 3.830 2.942 2.888 2.998 . 0 0 "[ . 1 . 2]" 1
664 1 44 ASP H 1 45 ARG QG 4.430 . 4.430 4.074 3.975 4.256 . 0 0 "[ . 1 . 2]" 1
665 1 44 ASP H 1 47 GLU QB 4.900 . 4.900 4.801 4.662 4.908 0.008 13 0 "[ . 1 . 2]" 1
666 1 44 ASP H 1 48 LEU H 5.160 . 5.160 4.543 4.385 4.641 . 0 0 "[ . 1 . 2]" 1
667 1 44 ASP HA 1 45 ARG HA 5.500 . 5.500 4.599 4.576 4.638 . 0 0 "[ . 1 . 2]" 1
668 1 45 ARG H 1 45 ARG HB2 3.770 . 3.770 3.451 2.743 3.624 . 0 0 "[ . 1 . 2]" 1
669 1 45 ARG H 1 45 ARG QB 3.280 . 3.280 2.758 2.664 2.827 . 0 0 "[ . 1 . 2]" 1
670 1 45 ARG H 1 45 ARG HB3 3.770 . 3.770 3.017 2.789 3.612 . 0 0 "[ . 1 . 2]" 1
671 1 45 ARG H 1 45 ARG QG 3.890 . 3.890 1.812 1.759 1.960 . 0 0 "[ . 1 . 2]" 1
672 1 45 ARG H 1 46 THR H 3.810 . 3.810 2.776 2.737 2.810 . 0 0 "[ . 1 . 2]" 1
673 1 45 ARG H 1 46 THR HA 5.500 . 5.500 5.324 5.299 5.344 . 0 0 "[ . 1 . 2]" 1
674 1 45 ARG H 1 47 GLU H 4.220 . 4.220 4.524 4.466 4.587 0.367 14 0 "[ . 1 . 2]" 1
675 1 45 ARG HA 1 45 ARG QD 4.650 . 4.650 4.310 3.975 4.553 . 0 0 "[ . 1 . 2]" 1
676 1 45 ARG HA 1 45 ARG QG 3.490 . 3.490 3.200 2.600 3.342 . 0 0 "[ . 1 . 2]" 1
677 1 45 ARG HA 1 46 THR HA 5.500 . 5.500 4.615 4.603 4.631 . 0 0 "[ . 1 . 2]" 1
678 1 45 ARG QB 1 45 ARG QD 3.300 . 3.300 2.233 2.110 2.396 . 0 0 "[ . 1 . 2]" 1
679 1 45 ARG QB 1 46 THR H 3.100 . 3.100 2.837 2.049 3.090 . 0 0 "[ . 1 . 2]" 1
680 1 45 ARG HB2 1 46 THR H 3.750 . 3.750 2.952 2.064 3.255 . 0 0 "[ . 1 . 2]" 1
681 1 45 ARG HB3 1 46 THR H 3.750 . 3.750 3.780 3.436 3.874 0.124 16 0 "[ . 1 . 2]" 1
682 1 45 ARG QG 1 46 THR H 3.510 . 3.510 2.090 1.744 3.547 0.037 8 0 "[ . 1 . 2]" 1
683 1 45 ARG HG2 1 46 THR H 4.050 . 4.050 3.002 2.399 4.578 0.528 8 1 "[ . + 1 . 2]" 1
684 1 45 ARG HG3 1 46 THR H 4.050 . 4.050 2.138 1.763 3.694 . 0 0 "[ . 1 . 2]" 1
685 1 46 THR HA 1 46 THR MG 3.600 . 3.600 2.534 2.280 3.185 . 0 0 "[ . 1 . 2]" 1
686 1 47 GLU HA 1 48 LEU HA 4.940 . 4.940 4.726 4.675 4.763 . 0 0 "[ . 1 . 2]" 1
687 1 47 GLU QB 1 48 LEU H 3.820 . 3.820 2.390 2.252 2.468 . 0 0 "[ . 1 . 2]" 1
688 1 48 LEU H 1 48 LEU MD2 4.580 . 4.580 3.942 3.406 4.331 . 0 0 "[ . 1 . 2]" 1
689 1 48 LEU H 1 48 LEU HG 4.860 . 4.860 3.263 2.402 4.083 . 0 0 "[ . 1 . 2]" 1
690 1 48 LEU H 1 49 ALA H 4.030 . 4.030 2.823 2.722 2.916 . 0 0 "[ . 1 . 2]" 1
691 1 48 LEU HA 1 48 LEU MD2 3.460 . 3.460 2.081 1.878 2.528 . 0 0 "[ . 1 . 2]" 1
692 1 48 LEU HA 1 48 LEU HG 4.250 . 4.250 2.669 2.386 3.007 . 0 0 "[ . 1 . 2]" 1
693 1 48 LEU HA 1 51 HIS H 4.310 . 4.310 3.614 3.515 3.744 . 0 0 "[ . 1 . 2]" 1
694 1 48 LEU HA 1 51 HIS HB2 4.440 . 4.440 3.376 2.520 3.743 . 0 0 "[ . 1 . 2]" 1
695 1 48 LEU HA 1 51 HIS HB3 4.750 . 4.750 2.870 2.438 4.088 . 0 0 "[ . 1 . 2]" 1
696 1 48 LEU HA 1 52 LEU H 4.640 . 4.640 3.577 3.119 3.823 . 0 0 "[ . 1 . 2]" 1
697 1 48 LEU QB 1 49 ALA H 3.470 . 3.470 2.566 2.396 2.813 . 0 0 "[ . 1 . 2]" 1
698 1 48 LEU QB 1 51 HIS H 5.090 . 5.090 4.954 4.812 5.116 0.026 20 0 "[ . 1 . 2]" 1
699 1 48 LEU QB 1 52 LEU QD 4.020 . 4.020 2.824 1.933 3.490 . 0 0 "[ . 1 . 2]" 1
700 1 48 LEU MD2 1 49 ALA H 4.120 . 4.120 4.330 3.897 4.681 0.561 18 5 "[* .* 1* . +-2]" 1
701 1 48 LEU MD2 1 51 HIS H 4.640 . 4.640 4.754 4.392 5.018 0.378 5 0 "[ . 1 . 2]" 1
702 1 48 LEU MD2 1 51 HIS HB2 4.600 . 4.600 4.399 3.533 4.909 0.309 17 0 "[ . 1 . 2]" 1
703 1 48 LEU MD2 1 51 HIS HB3 5.260 . 5.260 3.475 2.911 4.388 . 0 0 "[ . 1 . 2]" 1
704 1 48 LEU MD2 1 52 LEU QD 3.260 . 3.260 2.406 1.782 3.499 0.239 3 0 "[ . 1 . 2]" 1
705 1 49 ALA H 1 49 ALA MB 3.180 . 3.180 2.231 2.223 2.239 . 0 0 "[ . 1 . 2]" 1
706 1 49 ALA H 1 50 ASP H 3.710 . 3.710 2.928 2.805 2.999 . 0 0 "[ . 1 . 2]" 1
707 1 49 ALA H 1 51 HIS H 4.270 . 4.270 4.090 3.928 4.262 . 0 0 "[ . 1 . 2]" 1
708 1 49 ALA HA 1 52 LEU HG 3.910 . 3.910 2.942 2.775 3.133 . 0 0 "[ . 1 . 2]" 1
709 1 49 ALA HA 1 53 ILE H 5.120 . 5.120 4.620 3.989 4.971 . 0 0 "[ . 1 . 2]" 1
710 1 49 ALA HA 1 53 ILE QG 3.910 . 3.910 3.914 2.908 4.417 0.507 16 1 "[ . 1 .+ 2]" 1
711 1 49 ALA HA 1 61 ALA MB 5.500 . 5.500 5.787 5.510 5.958 0.458 16 0 "[ . 1 . 2]" 1
712 1 49 ALA MB 1 50 ASP H 3.390 . 3.390 2.276 2.231 2.324 . 0 0 "[ . 1 . 2]" 1
713 1 49 ALA MB 1 51 HIS H 4.350 . 4.350 4.335 4.270 4.425 0.075 17 0 "[ . 1 . 2]" 1
714 1 49 ALA MB 1 52 LEU QD 4.570 . 4.570 3.514 3.244 3.923 . 0 0 "[ . 1 . 2]" 1
715 1 49 ALA MB 1 52 LEU HG 4.020 . 4.020 4.369 4.218 4.622 0.602 15 4 "[ . -1 + **2]" 1
716 1 49 ALA MB 1 53 ILE QG 4.410 . 4.410 4.022 3.423 4.288 . 0 0 "[ . 1 . 2]" 1
717 1 50 ASP H 1 50 ASP HB2 3.840 . 3.840 2.513 2.361 2.620 . 0 0 "[ . 1 . 2]" 1
718 1 50 ASP H 1 50 ASP QB 3.290 . 3.290 2.278 2.249 2.366 . 0 0 "[ . 1 . 2]" 1
719 1 50 ASP H 1 50 ASP HB3 3.840 . 3.840 2.777 2.451 3.586 . 0 0 "[ . 1 . 2]" 1
720 1 50 ASP H 1 51 HIS H 3.680 . 3.680 2.630 2.596 2.672 . 0 0 "[ . 1 . 2]" 1
721 1 50 ASP H 1 51 HIS HB2 4.970 . 4.970 4.811 4.574 4.935 . 0 0 "[ . 1 . 2]" 1
722 1 50 ASP H 1 53 ILE QG 4.880 . 4.880 4.776 4.216 4.950 0.070 12 0 "[ . 1 . 2]" 1
723 1 50 ASP HA 1 53 ILE HB 3.730 . 3.730 3.330 2.928 5.014 1.284 16 1 "[ . 1 .+ 2]" 1
724 1 50 ASP HA 1 53 ILE QG 3.580 . 3.580 3.281 2.261 4.125 0.545 15 2 "[ . -1 + 2]" 1
725 1 50 ASP QB 1 51 HIS H 3.620 . 3.620 2.754 2.627 2.811 . 0 0 "[ . 1 . 2]" 1
726 1 50 ASP QB 1 51 HIS HA 4.250 . 4.250 4.066 3.870 4.176 . 0 0 "[ . 1 . 2]" 1
727 1 50 ASP HB2 1 51 HIS H 4.200 . 4.200 3.719 2.855 4.040 . 0 0 "[ . 1 . 2]" 1
728 1 50 ASP HB3 1 51 HIS H 4.200 . 4.200 3.025 2.669 3.754 . 0 0 "[ . 1 . 2]" 1
729 1 51 HIS H 1 51 HIS HB2 3.620 . 3.620 2.415 2.185 2.557 . 0 0 "[ . 1 . 2]" 1
730 1 51 HIS H 1 51 HIS HB3 3.900 . 3.900 2.753 2.514 3.514 . 0 0 "[ . 1 . 2]" 1
731 1 51 HIS H 1 52 LEU QB 5.500 . 5.500 5.103 4.918 5.275 . 0 0 "[ . 1 . 2]" 1
732 1 51 HIS H 1 53 ILE QG 5.340 . 5.340 4.905 4.010 5.222 . 0 0 "[ . 1 . 2]" 1
733 1 51 HIS HA 1 54 GLN H 4.160 . 4.160 3.804 3.544 4.220 0.060 18 0 "[ . 1 . 2]" 1
734 1 51 HIS HA 1 54 GLN QB 3.890 . 3.890 3.562 2.810 4.198 0.308 18 0 "[ . 1 . 2]" 1
735 1 51 HIS HB2 1 52 LEU H 4.270 . 4.270 3.497 2.535 3.738 . 0 0 "[ . 1 . 2]" 1
736 1 51 HIS HB3 1 52 LEU H 4.250 . 4.250 2.368 2.233 2.959 . 0 0 "[ . 1 . 2]" 1
737 1 51 HIS HB3 1 52 LEU QD 4.690 . 4.690 4.297 3.944 4.811 0.121 15 0 "[ . 1 . 2]" 1
738 1 52 LEU H 1 52 LEU QB 3.410 . 3.410 2.545 2.401 2.646 . 0 0 "[ . 1 . 2]" 1
739 1 52 LEU H 1 52 LEU QD 4.030 . 4.030 2.912 2.838 2.968 . 0 0 "[ . 1 . 2]" 1
740 1 52 LEU H 1 52 LEU HG 4.140 . 4.140 2.143 1.866 2.517 . 0 0 "[ . 1 . 2]" 1
741 1 52 LEU H 1 53 ILE H 3.860 . 3.860 2.794 2.655 2.891 . 0 0 "[ . 1 . 2]" 1
742 1 52 LEU HA 1 52 LEU QD 4.140 . 4.140 3.405 3.385 3.422 . 0 0 "[ . 1 . 2]" 1
743 1 52 LEU HA 1 55 SER H 4.540 . 4.540 3.374 3.110 3.883 . 0 0 "[ . 1 . 2]" 1
744 1 52 LEU HA 1 55 SER QB 3.980 . 3.980 3.059 2.670 3.680 . 0 0 "[ . 1 . 2]" 1
745 1 52 LEU QB 1 53 ILE H . . 4.000 3.530 3.466 3.580 . 0 0 "[ . 1 . 2]" 1
746 1 52 LEU QB 1 53 ILE HA 5.100 . 5.100 4.330 4.205 4.432 . 0 0 "[ . 1 . 2]" 1
747 1 52 LEU QB 1 54 GLN H 5.500 . 5.500 5.092 4.894 5.440 . 0 0 "[ . 1 . 2]" 1
748 1 52 LEU QB 1 61 ALA MB 3.310 . 3.310 2.527 1.828 3.408 0.098 16 0 "[ . 1 . 2]" 1
749 1 52 LEU QD 1 61 ALA MB 4.260 . 4.260 1.841 1.707 2.009 . 0 0 "[ . 1 . 2]" 1
750 1 52 LEU QD 1 64 LYS QZ 4.260 . 4.260 3.340 2.731 3.932 . 0 0 "[ . 1 . 2]" 1
751 1 52 LEU QD 1 65 ALA HA 5.380 . 5.380 4.792 4.403 5.154 . 0 0 "[ . 1 . 2]" 1
752 1 52 LEU QD 1 68 ILE MD 5.500 . 5.500 5.379 4.808 5.677 0.177 1 0 "[ . 1 . 2]" 1
753 1 52 LEU HG 1 53 ILE H 5.060 . 5.060 2.471 2.017 2.702 . 0 0 "[ . 1 . 2]" 1
754 1 52 LEU HG 1 53 ILE HB 4.550 . 4.550 4.730 4.256 5.028 0.478 16 0 "[ . 1 . 2]" 1
755 1 52 LEU HG 1 61 ALA MB 4.200 . 4.200 4.033 3.929 4.209 0.009 9 0 "[ . 1 . 2]" 1
756 1 52 LEU HG 1 62 VAL MG2 5.380 . 5.380 4.840 4.123 5.384 0.004 9 0 "[ . 1 . 2]" 1
757 1 52 LEU HG 1 64 LYS QZ 5.220 . 5.220 5.495 4.905 6.016 0.796 2 6 "[-+ . * * * *2]" 1
758 1 53 ILE H 1 53 ILE HB 3.630 . 3.630 2.542 2.383 3.640 0.010 16 0 "[ . 1 . 2]" 1
759 1 53 ILE H 1 53 ILE HG12 4.200 . 4.200 3.080 2.455 3.596 . 0 0 "[ . 1 . 2]" 1
760 1 53 ILE H 1 53 ILE QG 3.440 . 3.440 2.258 2.003 2.551 . 0 0 "[ . 1 . 2]" 1
761 1 53 ILE H 1 53 ILE HG13 4.200 . 4.200 2.842 2.018 3.960 . 0 0 "[ . 1 . 2]" 1
762 1 53 ILE H 1 54 GLN H 3.820 . 3.820 2.742 2.556 2.866 . 0 0 "[ . 1 . 2]" 1
763 1 53 ILE H 1 54 GLN HA 5.500 . 5.500 5.330 5.127 5.429 . 0 0 "[ . 1 . 2]" 1
764 1 53 ILE H 1 58 ALA HA 5.500 . 5.500 5.248 4.686 5.720 0.220 18 0 "[ . 1 . 2]" 1
765 1 53 ILE H 1 61 ALA MB 4.320 . 4.320 3.979 3.680 4.299 . 0 0 "[ . 1 . 2]" 1
766 1 53 ILE HA 1 53 ILE QG 3.420 . 3.420 2.668 2.351 3.421 0.001 16 0 "[ . 1 . 2]" 1
767 1 53 ILE HA 1 57 GLY H 4.450 . 4.450 2.967 2.431 3.272 . 0 0 "[ . 1 . 2]" 1
768 1 53 ILE HA 1 58 ALA HA 4.300 . 4.300 3.434 3.034 3.768 . 0 0 "[ . 1 . 2]" 1
769 1 53 ILE HA 1 61 ALA MB 3.480 . 3.480 2.645 1.927 3.340 . 0 0 "[ . 1 . 2]" 1
770 1 53 ILE HA 1 62 VAL MG2 5.500 . 5.500 4.719 4.221 5.315 . 0 0 "[ . 1 . 2]" 1
771 1 53 ILE HB 1 54 GLN H 4.320 . 4.320 2.788 2.518 3.986 . 0 0 "[ . 1 . 2]" 1
772 1 53 ILE HB 1 54 GLN HA 5.410 . 5.410 4.386 4.266 4.599 . 0 0 "[ . 1 . 2]" 1
773 1 53 ILE HB 1 58 ALA HA 5.500 . 5.500 4.435 1.878 4.888 . 0 0 "[ . 1 . 2]" 1
774 1 53 ILE QG 1 54 GLN H 5.010 . 5.010 4.083 2.419 4.344 . 0 0 "[ . 1 . 2]" 1
775 1 53 ILE QG 1 57 GLY H 5.340 . 5.340 5.085 4.428 5.634 0.294 19 0 "[ . 1 . 2]" 1
776 1 53 ILE QG 1 57 GLY QA 5.130 . 5.130 4.688 3.758 5.389 0.259 19 0 "[ . 1 . 2]" 1
777 1 53 ILE QG 1 58 ALA H 4.570 . 4.570 4.416 3.398 5.055 0.485 19 0 "[ . 1 . 2]" 1
778 1 53 ILE QG 1 58 ALA HA 3.220 . 3.220 2.325 1.812 3.472 0.252 16 0 "[ . 1 . 2]" 1
779 1 53 ILE QG 1 58 ALA MB 3.170 . 3.170 3.200 2.617 3.563 0.393 17 0 "[ . 1 . 2]" 1
780 1 53 ILE QG 1 62 VAL MG2 3.610 . 3.610 3.630 3.165 4.102 0.492 1 0 "[ . 1 . 2]" 1
781 1 53 ILE HG12 1 58 ALA HA 3.870 . 3.870 2.854 1.821 4.137 0.267 15 0 "[ . 1 . 2]" 1
782 1 53 ILE HG12 1 62 VAL MG2 4.210 . 4.210 4.003 3.357 4.553 0.343 1 0 "[ . 1 . 2]" 1
783 1 53 ILE HG13 1 58 ALA HA 3.870 . 3.870 3.268 2.745 4.553 0.683 16 1 "[ . 1 .+ 2]" 1
784 1 53 ILE HG13 1 62 VAL MG2 4.210 . 4.210 4.195 3.611 5.009 0.799 16 1 "[ . 1 .+ 2]" 1
785 1 54 GLN H 1 54 GLN QB 3.180 . 3.180 2.330 2.222 2.476 . 0 0 "[ . 1 . 2]" 1
786 1 54 GLN H 1 54 GLN HG2 4.730 . 4.730 3.756 2.294 4.612 . 0 0 "[ . 1 . 2]" 1
787 1 54 GLN H 1 54 GLN QG 4.140 . 4.140 3.130 2.121 4.049 . 0 0 "[ . 1 . 2]" 1
788 1 54 GLN H 1 54 GLN HG3 4.730 . 4.730 3.636 2.145 4.502 . 0 0 "[ . 1 . 2]" 1
789 1 54 GLN H 1 55 SER H 3.760 . 3.760 2.623 2.460 2.789 . 0 0 "[ . 1 . 2]" 1
790 1 54 GLN H 1 56 ALA H 5.070 . 5.070 4.812 4.538 4.982 . 0 0 "[ . 1 . 2]" 1
791 1 54 GLN HA 1 54 GLN HG2 3.900 . 3.900 3.071 2.471 3.794 . 0 0 "[ . 1 . 2]" 1
792 1 54 GLN HA 1 54 GLN QG 3.340 . 3.340 2.640 2.380 3.328 . 0 0 "[ . 1 . 2]" 1
793 1 54 GLN HA 1 54 GLN HG3 3.900 . 3.900 3.045 2.537 3.740 . 0 0 "[ . 1 . 2]" 1
794 1 54 GLN HA 1 57 GLY H 5.160 . 5.160 4.893 4.607 5.204 0.044 2 0 "[ . 1 . 2]" 1
795 1 54 GLN QB 1 54 GLN QG 2.310 . 2.310 2.055 1.989 2.086 . 0 0 "[ . 1 . 2]" 1
796 1 54 GLN QB 1 55 SER H 3.590 . 3.590 2.928 2.874 3.605 0.015 18 0 "[ . 1 . 2]" 1
797 1 54 GLN QB 1 55 SER QB 4.540 . 4.540 4.399 4.048 5.038 0.498 18 0 "[ . 1 . 2]" 1
798 1 54 GLN QG 1 55 SER H 5.120 . 5.120 3.986 2.462 4.345 . 0 0 "[ . 1 . 2]" 1
799 1 55 SER H 1 55 SER QB 3.200 . 3.200 2.353 2.253 2.572 . 0 0 "[ . 1 . 2]" 1
800 1 55 SER H 1 56 ALA H 3.730 . 3.730 2.881 2.649 2.990 . 0 0 "[ . 1 . 2]" 1
801 1 55 SER H 1 56 ALA MB 5.450 . 5.450 4.857 4.664 4.950 . 0 0 "[ . 1 . 2]" 1
802 1 55 SER H 1 57 GLY H 4.730 . 4.730 4.015 3.747 4.157 . 0 0 "[ . 1 . 2]" 1
803 1 55 SER H 1 61 ALA MB 5.500 . 5.500 4.324 3.767 4.841 . 0 0 "[ . 1 . 2]" 1
804 1 55 SER QB 1 56 ALA H 3.620 . 3.620 2.344 2.223 3.204 . 0 0 "[ . 1 . 2]" 1
805 1 55 SER QB 1 56 ALA MB 5.250 . 5.250 3.412 3.216 3.820 . 0 0 "[ . 1 . 2]" 1
806 1 55 SER QB 1 61 ALA MB 5.340 . 5.340 3.503 2.929 4.549 . 0 0 "[ . 1 . 2]" 1
807 1 56 ALA H 1 56 ALA MB 3.400 . 3.400 2.496 2.482 2.507 . 0 0 "[ . 1 . 2]" 1
808 1 56 ALA HA 1 60 SER QB 4.910 . 4.910 4.485 4.163 5.020 0.110 18 0 "[ . 1 . 2]" 1
809 1 56 ALA MB 1 57 GLY H 4.220 . 4.220 2.672 2.661 2.689 . 0 0 "[ . 1 . 2]" 1
810 1 56 ALA MB 1 57 GLY QA 5.060 . 5.060 3.696 3.668 3.738 . 0 0 "[ . 1 . 2]" 1
811 1 56 ALA MB 1 60 SER HB2 3.700 . 3.700 3.193 2.610 4.046 0.346 4 0 "[ . 1 . 2]" 1
812 1 56 ALA MB 1 60 SER HB3 3.700 . 3.700 2.865 2.474 3.853 0.153 18 0 "[ . 1 . 2]" 1
813 1 56 ALA MB 1 61 ALA H 3.970 . 3.970 3.331 3.091 3.881 . 0 0 "[ . 1 . 2]" 1
814 1 56 ALA MB 1 61 ALA HA 3.870 . 3.870 3.193 2.772 4.352 0.482 16 0 "[ . 1 . 2]" 1
815 1 56 ALA MB 1 64 LYS QZ 3.920 . 3.920 3.800 2.735 4.644 0.724 16 2 "[ . - 1 .+ 2]" 1
816 1 57 GLY H 1 58 ALA H 4.400 . 4.400 4.401 4.355 4.433 0.033 2 0 "[ . 1 . 2]" 1
817 1 57 GLY H 1 58 ALA HA 5.500 . 5.500 4.875 4.790 4.916 . 0 0 "[ . 1 . 2]" 1
818 1 57 GLY H 1 60 SER QB 4.850 . 4.850 3.664 3.298 4.551 . 0 0 "[ . 1 . 2]" 1
819 1 57 GLY H 1 61 ALA H 4.750 . 4.750 3.476 3.061 3.840 . 0 0 "[ . 1 . 2]" 1
820 1 57 GLY H 1 61 ALA MB 4.460 . 4.460 2.541 2.214 2.948 . 0 0 "[ . 1 . 2]" 1
821 1 57 GLY QA 1 58 ALA MB 5.340 . 5.340 3.803 3.788 3.816 . 0 0 "[ . 1 . 2]" 1
822 1 57 GLY QA 1 61 ALA MB 5.340 . 5.340 3.934 3.726 4.194 . 0 0 "[ . 1 . 2]" 1
823 1 58 ALA H 1 58 ALA MB 3.350 . 3.350 2.243 2.229 2.252 . 0 0 "[ . 1 . 2]" 1
824 1 58 ALA H 1 59 ALA H 4.000 . 4.000 2.947 2.897 3.035 . 0 0 "[ . 1 . 2]" 1
825 1 58 ALA H 1 62 VAL MG2 5.500 . 5.500 5.472 4.971 5.639 0.139 6 0 "[ . 1 . 2]" 1
826 1 58 ALA HA 1 62 VAL MG2 3.820 . 3.820 3.353 2.645 3.620 . 0 0 "[ . 1 . 2]" 1
827 1 58 ALA MB 1 59 ALA H 3.450 . 3.450 1.995 1.966 2.039 . 0 0 "[ . 1 . 2]" 1
828 1 58 ALA MB 1 59 ALA HA 4.560 . 4.560 3.764 3.721 3.787 . 0 0 "[ . 1 . 2]" 1
829 1 58 ALA MB 1 59 ALA MB 3.460 . 3.460 3.363 3.334 3.448 . 0 0 "[ . 1 . 2]" 1
830 1 58 ALA MB 1 60 SER H 4.140 . 4.140 4.096 4.025 4.233 0.093 15 0 "[ . 1 . 2]" 1
831 1 59 ALA H 1 59 ALA MB 3.050 . 3.050 2.237 2.220 2.243 . 0 0 "[ . 1 . 2]" 1
832 1 59 ALA H 1 92 LEU QD 4.700 . 4.700 4.454 4.173 4.891 0.191 7 0 "[ . 1 . 2]" 1
833 1 59 ALA HA 1 62 VAL H 4.470 . 4.470 3.808 3.556 4.209 . 0 0 "[ . 1 . 2]" 1
834 1 59 ALA HA 1 62 VAL HB 4.180 . 4.180 2.884 2.661 3.150 . 0 0 "[ . 1 . 2]" 1
835 1 59 ALA HA 1 62 VAL MG1 4.080 . 4.080 4.169 3.908 4.364 0.284 14 0 "[ . 1 . 2]" 1
836 1 59 ALA HA 1 62 VAL MG2 4.550 . 4.550 3.540 3.265 3.892 . 0 0 "[ . 1 . 2]" 1
837 1 59 ALA HA 1 63 THR H 4.610 . 4.610 4.178 3.958 4.375 . 0 0 "[ . 1 . 2]" 1
838 1 59 ALA MB 1 60 SER H 3.430 . 3.430 2.665 2.499 2.743 . 0 0 "[ . 1 . 2]" 1
839 1 59 ALA MB 1 60 SER HA 4.330 . 4.330 3.821 3.774 3.861 . 0 0 "[ . 1 . 2]" 1
840 1 59 ALA MB 1 60 SER QB 5.060 . 5.060 4.178 3.861 4.471 . 0 0 "[ . 1 . 2]" 1
841 1 59 ALA MB 1 61 ALA H 5.130 . 5.130 4.824 4.635 4.950 . 0 0 "[ . 1 . 2]" 1
842 1 59 ALA MB 1 62 VAL HB 4.240 . 4.240 4.373 4.184 4.678 0.438 16 0 "[ . 1 . 2]" 1
843 1 59 ALA MB 1 92 LEU QB 4.410 . 4.410 4.635 4.219 4.960 0.550 15 3 "[ . * 1 -+ 2]" 1
844 1 59 ALA MB 1 92 LEU HG 4.090 . 4.090 4.635 3.082 5.000 0.910 7 15 "[** *.*+**1*-***** *2]" 1
845 1 60 SER H 1 60 SER HB2 3.630 . 3.630 2.634 2.475 3.591 . 0 0 "[ . 1 . 2]" 1
846 1 60 SER H 1 60 SER QB 3.140 . 3.140 2.385 2.252 2.520 . 0 0 "[ . 1 . 2]" 1
847 1 60 SER H 1 60 SER HB3 3.630 . 3.630 3.058 2.485 3.603 . 0 0 "[ . 1 . 2]" 1
848 1 60 SER H 1 61 ALA H 3.550 . 3.550 2.808 2.712 2.926 . 0 0 "[ . 1 . 2]" 1
849 1 60 SER H 1 62 VAL H 4.760 . 4.760 4.240 4.080 4.507 . 0 0 "[ . 1 . 2]" 1
850 1 60 SER HA 1 63 THR H 4.230 . 4.230 3.914 3.686 4.082 . 0 0 "[ . 1 . 2]" 1
851 1 60 SER HB2 1 61 ALA H 4.090 . 4.090 3.078 2.305 3.897 . 0 0 "[ . 1 . 2]" 1
852 1 60 SER HB3 1 61 ALA H 4.090 . 4.090 3.091 2.322 3.813 . 0 0 "[ . 1 . 2]" 1
853 1 61 ALA H 1 61 ALA MB 3.100 . 3.100 2.244 2.226 2.253 . 0 0 "[ . 1 . 2]" 1
854 1 61 ALA H 1 62 VAL H 3.700 . 3.700 2.689 2.605 2.836 . 0 0 "[ . 1 . 2]" 1
855 1 61 ALA H 1 62 VAL HB 5.080 . 5.080 4.875 4.721 5.072 . 0 0 "[ . 1 . 2]" 1
856 1 61 ALA H 1 62 VAL MG2 4.560 . 4.560 4.146 4.028 4.265 . 0 0 "[ . 1 . 2]" 1
857 1 61 ALA H 1 63 THR H 4.710 . 4.710 4.118 3.965 4.234 . 0 0 "[ . 1 . 2]" 1
858 1 61 ALA HA 1 63 THR H 4.710 . 4.710 4.155 4.059 4.291 . 0 0 "[ . 1 . 2]" 1
859 1 61 ALA HA 1 64 LYS QZ 3.720 . 3.720 2.778 2.036 3.697 . 0 0 "[ . 1 . 2]" 1
860 1 61 ALA MB 1 62 VAL H 3.500 . 3.500 2.527 2.390 2.672 . 0 0 "[ . 1 . 2]" 1
861 1 61 ALA MB 1 64 LYS QZ 3.690 . 3.690 2.566 1.898 3.143 . 0 0 "[ . 1 . 2]" 1
862 1 62 VAL H 1 62 VAL HB 3.540 . 3.540 2.504 2.415 2.580 . 0 0 "[ . 1 . 2]" 1
863 1 62 VAL H 1 62 VAL MG1 3.840 . 3.840 3.767 3.746 3.776 . 0 0 "[ . 1 . 2]" 1
864 1 62 VAL H 1 62 VAL MG2 4.080 . 4.080 2.119 1.978 2.249 . 0 0 "[ . 1 . 2]" 1
865 1 62 VAL H 1 63 THR H 3.750 . 3.750 2.709 2.595 2.759 . 0 0 "[ . 1 . 2]" 1
866 1 62 VAL H 1 65 ALA MB 4.850 . 4.850 4.446 4.196 4.708 . 0 0 "[ . 1 . 2]" 1
867 1 62 VAL HA 1 62 VAL MG1 3.300 . 3.300 2.437 2.388 2.497 . 0 0 "[ . 1 . 2]" 1
868 1 62 VAL HA 1 62 VAL MG2 3.370 . 3.370 2.355 2.300 2.408 . 0 0 "[ . 1 . 2]" 1
869 1 62 VAL HA 1 65 ALA H 4.380 . 4.380 3.699 3.425 3.867 . 0 0 "[ . 1 . 2]" 1
870 1 62 VAL HA 1 65 ALA MB 3.480 . 3.480 2.610 2.229 2.872 . 0 0 "[ . 1 . 2]" 1
871 1 62 VAL HB 1 63 THR H 3.590 . 3.590 2.899 2.849 2.936 . 0 0 "[ . 1 . 2]" 1
872 1 62 VAL MG1 1 63 THR H 4.210 . 4.210 3.550 3.363 3.666 . 0 0 "[ . 1 . 2]" 1
873 1 62 VAL MG1 1 65 ALA H 4.930 . 4.930 4.836 4.598 5.019 0.089 20 0 "[ . 1 . 2]" 1
874 1 62 VAL MG2 1 63 THR H 4.230 . 4.230 3.988 3.906 4.056 . 0 0 "[ . 1 . 2]" 1
875 1 62 VAL MG2 1 64 LYS QZ 5.420 . 5.420 5.542 5.052 6.017 0.597 9 6 "[ * . * +1 -* *2]" 1
876 1 63 THR H 1 63 THR HB 3.760 . 3.760 3.087 2.471 3.628 . 0 0 "[ . 1 . 2]" 1
877 1 63 THR H 1 63 THR HG1 4.280 . 4.280 3.153 1.797 4.575 0.295 6 0 "[ . 1 . 2]" 1
878 1 63 THR H 1 64 LYS H 3.950 . 3.950 2.648 2.481 2.799 . 0 0 "[ . 1 . 2]" 1
879 1 63 THR H 1 64 LYS HG3 4.480 . 4.480 4.373 3.770 4.861 0.381 20 0 "[ . 1 . 2]" 1
880 1 63 THR H 1 65 ALA H 4.940 . 4.940 3.768 3.686 3.950 . 0 0 "[ . 1 . 2]" 1
881 1 63 THR HA 1 63 THR HG1 3.510 . 3.510 3.344 2.270 4.073 0.563 16 3 "[ . 1 -+ *]" 1
882 1 63 THR HA 1 66 ILE HB 4.840 . 4.840 4.112 3.797 4.421 . 0 0 "[ . 1 . 2]" 1
883 1 63 THR HG1 1 64 LYS H 4.600 . 4.600 3.760 1.901 4.846 0.246 11 0 "[ . 1 . 2]" 1
884 1 64 LYS H 1 64 LYS HB3 4.020 . 4.020 2.581 2.467 2.668 . 0 0 "[ . 1 . 2]" 1
885 1 64 LYS H 1 64 LYS QD 4.240 . 4.240 3.959 3.644 4.157 . 0 0 "[ . 1 . 2]" 1
886 1 64 LYS H 1 64 LYS HG3 4.180 . 4.180 2.534 1.944 3.017 . 0 0 "[ . 1 . 2]" 1
887 1 64 LYS H 1 65 ALA H 3.320 . 3.320 2.586 2.507 2.699 . 0 0 "[ . 1 . 2]" 1
888 1 64 LYS HA 1 67 ASN H 4.440 . 4.440 3.281 3.147 3.399 . 0 0 "[ . 1 . 2]" 1
889 1 64 LYS HA 1 67 ASN HB2 4.090 . 4.090 3.488 3.218 3.845 . 0 0 "[ . 1 . 2]" 1
890 1 64 LYS HA 1 67 ASN HB3 4.090 . 4.090 3.960 2.976 5.015 0.925 3 8 "[* +-* * ** . *]" 1
891 1 64 LYS HB2 1 65 ALA H 4.140 . 4.140 3.942 3.809 4.007 . 0 0 "[ . 1 . 2]" 1
892 1 64 LYS HB2 1 67 ASN H 4.970 . 4.970 4.888 4.673 5.015 0.045 17 0 "[ . 1 . 2]" 1
893 1 64 LYS HB2 1 68 ILE MD 4.200 . 4.200 3.529 3.040 4.067 . 0 0 "[ . 1 . 2]" 1
894 1 64 LYS HB3 1 64 LYS HG3 2.850 . 2.850 2.825 2.623 2.987 0.137 20 0 "[ . 1 . 2]" 1
895 1 64 LYS HB3 1 68 ILE MD 5.350 . 5.350 4.941 4.454 5.410 0.060 16 0 "[ . 1 . 2]" 1
896 1 64 LYS QD 1 65 ALA H 4.050 . 4.050 3.531 2.638 4.299 0.249 4 0 "[ . 1 . 2]" 1
897 1 64 LYS QD 1 65 ALA MB 4.030 . 4.030 4.017 3.072 4.812 0.782 4 11 "[* +*- * 1*** .* * *]" 1
898 1 64 LYS QD 1 66 ILE H 5.340 . 5.340 5.395 4.509 6.077 0.737 8 11 "[* *** + 1-** .* * *]" 1
899 1 64 LYS QD 1 68 ILE MD 4.050 . 4.050 2.499 2.016 3.081 . 0 0 "[ . 1 . 2]" 1
900 1 64 LYS HG3 1 64 LYS QZ 3.950 . 3.950 2.657 1.892 3.799 . 0 0 "[ . 1 . 2]" 1
901 1 64 LYS HG3 1 65 ALA H 4.090 . 4.090 2.290 1.980 2.590 . 0 0 "[ . 1 . 2]" 1
902 1 64 LYS HG3 1 65 ALA MB 4.010 . 4.010 3.470 3.120 3.867 . 0 0 "[ . 1 . 2]" 1
903 1 64 LYS QZ 1 65 ALA H 4.760 . 4.760 3.713 3.068 4.669 . 0 0 "[ . 1 . 2]" 1
904 1 64 LYS QZ 1 65 ALA MB 4.000 . 4.000 3.189 2.628 4.478 0.478 15 0 "[ . 1 . 2]" 1
905 1 64 LYS QZ 1 68 ILE MD 3.630 . 3.630 2.806 2.293 3.534 . 0 0 "[ . 1 . 2]" 1
906 1 65 ALA H 1 65 ALA MB 3.260 . 3.260 2.231 2.227 2.237 . 0 0 "[ . 1 . 2]" 1
907 1 65 ALA H 1 66 ILE HG12 5.500 . 5.500 4.308 4.180 4.499 . 0 0 "[ . 1 . 2]" 1
908 1 65 ALA HA 1 68 ILE H 4.490 . 4.490 3.594 3.465 3.715 . 0 0 "[ . 1 . 2]" 1
909 1 65 ALA HA 1 68 ILE MD 3.910 . 3.910 2.800 2.577 3.123 . 0 0 "[ . 1 . 2]" 1
910 1 65 ALA HA 1 68 ILE QG 3.560 . 3.560 3.674 3.402 3.884 0.324 15 0 "[ . 1 . 2]" 1
911 1 65 ALA HA 1 68 ILE MG 4.920 . 4.920 4.498 4.140 4.746 . 0 0 "[ . 1 . 2]" 1
912 1 65 ALA HA 1 69 PHE H 4.670 . 4.670 3.946 3.768 4.088 . 0 0 "[ . 1 . 2]" 1
913 1 65 ALA MB 1 66 ILE H 4.150 . 4.150 2.734 2.646 2.763 . 0 0 "[ . 1 . 2]" 1
914 1 65 ALA MB 1 66 ILE HG12 4.120 . 4.120 3.376 3.226 3.470 . 0 0 "[ . 1 . 2]" 1
915 1 65 ALA MB 1 66 ILE HG13 5.370 . 5.370 4.930 4.784 5.025 . 0 0 "[ . 1 . 2]" 1
916 1 65 ALA MB 1 67 ASN H 5.260 . 5.260 4.681 4.584 4.798 . 0 0 "[ . 1 . 2]" 1
917 1 65 ALA MB 1 68 ILE MD 4.200 . 4.200 4.025 3.819 4.287 0.087 15 0 "[ . 1 . 2]" 1
918 1 66 ILE H 1 66 ILE MD 3.990 . 3.990 3.395 3.239 3.630 . 0 0 "[ . 1 . 2]" 1
919 1 66 ILE H 1 66 ILE HG12 3.190 . 3.190 2.241 2.115 2.424 . 0 0 "[ . 1 . 2]" 1
920 1 66 ILE H 1 66 ILE HG13 3.820 . 3.820 3.635 3.539 3.745 . 0 0 "[ . 1 . 2]" 1
921 1 66 ILE H 1 66 ILE MG 4.030 . 4.030 3.756 3.736 3.769 . 0 0 "[ . 1 . 2]" 1
922 1 66 ILE H 1 67 ASN H 3.860 . 3.860 2.639 2.550 2.721 . 0 0 "[ . 1 . 2]" 1
923 1 66 ILE H 1 68 ILE H 4.570 . 4.570 4.173 3.982 4.288 . 0 0 "[ . 1 . 2]" 1
924 1 66 ILE HA 1 66 ILE MD 4.010 . 4.010 1.999 1.908 2.048 . 0 0 "[ . 1 . 2]" 1
925 1 66 ILE HA 1 66 ILE MG 3.630 . 3.630 2.437 2.392 2.502 . 0 0 "[ . 1 . 2]" 1
926 1 66 ILE HA 1 69 PHE H 4.370 . 4.370 3.748 3.530 3.916 . 0 0 "[ . 1 . 2]" 1
927 1 66 ILE HA 1 69 PHE QB 4.390 . 4.390 2.897 2.553 3.118 . 0 0 "[ . 1 . 2]" 1
928 1 66 ILE HA 1 69 PHE QD 4.390 . 4.390 4.120 3.923 4.431 0.041 18 0 "[ . 1 . 2]" 1
929 1 66 ILE HA 1 78 ALA HA 5.020 . 5.020 5.591 5.289 5.954 0.934 9 14 "[-** .***+* **. ****]" 1
930 1 66 ILE HA 1 78 ALA MB 4.140 . 4.140 3.607 3.280 3.914 . 0 0 "[ . 1 . 2]" 1
931 1 66 ILE HB 1 82 GLU HA 4.540 . 4.540 4.901 4.651 5.027 0.487 18 0 "[ . 1 . 2]" 1
932 1 66 ILE MD 1 69 PHE QB 4.810 . 4.810 3.708 3.237 3.989 . 0 0 "[ . 1 . 2]" 1
933 1 66 ILE MD 1 70 GLN HB3 4.760 . 4.760 4.747 4.426 4.944 0.184 2 0 "[ . 1 . 2]" 1
934 1 66 ILE MD 1 70 GLN QG 5.340 . 5.340 5.490 5.231 5.621 0.281 6 0 "[ . 1 . 2]" 1
935 1 66 ILE MD 1 78 ALA HA 4.120 . 4.120 3.897 3.346 4.259 0.139 18 0 "[ . 1 . 2]" 1
936 1 66 ILE MD 1 78 ALA MB 3.470 . 3.470 3.136 2.560 3.304 . 0 0 "[ . 1 . 2]" 1
937 1 66 ILE MD 1 81 LEU QB 3.840 . 3.840 2.608 1.958 3.002 . 0 0 "[ . 1 . 2]" 1
938 1 66 ILE MD 1 82 GLU H 3.840 . 3.840 3.594 3.187 3.820 . 0 0 "[ . 1 . 2]" 1
939 1 66 ILE MD 1 82 GLU HA 3.480 . 3.480 3.446 2.998 3.540 0.060 15 0 "[ . 1 . 2]" 1
940 1 66 ILE MD 1 82 GLU QG 4.940 . 4.940 4.797 4.477 5.018 0.078 3 0 "[ . 1 . 2]" 1
941 1 66 ILE HG13 1 78 ALA MB 5.500 . 5.500 5.065 4.541 5.358 . 0 0 "[ . 1 . 2]" 1
942 1 66 ILE HG13 1 82 GLU H 4.490 . 4.490 4.723 4.276 5.016 0.526 10 2 "[ . - + . 2]" 1
943 1 66 ILE MG 1 67 ASN H 4.010 . 4.010 3.323 3.195 3.482 . 0 0 "[ . 1 . 2]" 1
944 1 66 ILE MG 1 67 ASN HA 4.400 . 4.400 3.288 3.178 3.444 . 0 0 "[ . 1 . 2]" 1
945 1 66 ILE MG 1 70 GLN HB3 3.770 . 3.770 3.068 2.890 3.284 . 0 0 "[ . 1 . 2]" 1
946 1 66 ILE MG 1 70 GLN QE 4.340 . 4.340 3.321 1.771 4.226 . 0 0 "[ . 1 . 2]" 1
947 1 66 ILE MG 1 70 GLN QG 4.720 . 4.720 3.544 3.392 3.656 . 0 0 "[ . 1 . 2]" 1
948 1 66 ILE MG 1 78 ALA H 5.500 . 5.500 5.417 4.971 5.752 0.252 10 0 "[ . 1 . 2]" 1
949 1 66 ILE MG 1 78 ALA MB 3.250 . 3.250 2.285 1.840 2.667 . 0 0 "[ . 1 . 2]" 1
950 1 66 ILE MG 1 79 ASN HA 4.770 . 4.770 4.299 3.787 4.585 . 0 0 "[ . 1 . 2]" 1
951 1 66 ILE MG 1 82 GLU H 4.530 . 4.530 3.386 3.095 3.630 . 0 0 "[ . 1 . 2]" 1
952 1 66 ILE MG 1 82 GLU HA 3.990 . 3.990 3.148 2.822 3.488 . 0 0 "[ . 1 . 2]" 1
953 1 66 ILE MG 1 82 GLU HB3 3.130 . 3.130 1.854 1.765 2.334 . 0 0 "[ . 1 . 2]" 1
954 1 66 ILE MG 1 82 GLU QG 4.380 . 4.380 3.619 3.509 4.073 . 0 0 "[ . 1 . 2]" 1
955 1 67 ASN H 1 67 ASN HB2 3.560 . 3.560 2.500 2.362 2.599 . 0 0 "[ . 1 . 2]" 1
956 1 67 ASN H 1 67 ASN HB3 3.560 . 3.560 2.964 2.470 3.597 0.037 11 0 "[ . 1 . 2]" 1
957 1 67 ASN H 1 68 ILE H 3.910 . 3.910 2.700 2.611 2.755 . 0 0 "[ . 1 . 2]" 1
958 1 67 ASN H 1 68 ILE MD 5.500 . 5.500 5.161 5.013 5.290 . 0 0 "[ . 1 . 2]" 1
959 1 67 ASN H 1 68 ILE QG . . 4.590 4.138 4.021 4.257 . 0 0 "[ . 1 . 2]" 1
960 1 67 ASN H 1 70 GLN QG 4.360 . 4.360 4.280 4.172 4.392 0.032 10 0 "[ . 1 . 2]" 1
961 1 67 ASN HA 1 70 GLN HB2 5.070 . 5.070 4.919 4.695 5.148 0.078 10 0 "[ . 1 . 2]" 1
962 1 67 ASN HA 1 70 GLN HB3 4.250 . 4.250 4.145 3.907 4.369 0.119 9 0 "[ . 1 . 2]" 1
963 1 67 ASN HA 1 70 GLN QG 3.980 . 3.980 2.259 2.026 2.454 . 0 0 "[ . 1 . 2]" 1
964 1 67 ASN QB 1 68 ILE H 3.780 . 3.780 2.617 2.463 2.752 . 0 0 "[ . 1 . 2]" 1
965 1 67 ASN HB2 1 68 ILE H 4.310 . 4.310 3.417 2.515 4.017 . 0 0 "[ . 1 . 2]" 1
966 1 67 ASN HB3 1 68 ILE H 4.310 . 4.310 3.072 2.581 3.796 . 0 0 "[ . 1 . 2]" 1
967 1 68 ILE H 1 68 ILE MD 4.180 . 4.180 3.498 3.423 3.577 . 0 0 "[ . 1 . 2]" 1
968 1 68 ILE H 1 68 ILE QG . . 3.780 2.102 2.006 2.195 . 0 0 "[ . 1 . 2]" 1
969 1 68 ILE H 1 68 ILE MG 4.120 . 4.120 3.774 3.767 3.784 . 0 0 "[ . 1 . 2]" 1
970 1 68 ILE H 1 69 PHE H 3.920 . 3.920 2.624 2.539 2.760 . 0 0 "[ . 1 . 2]" 1
971 1 68 ILE HA 1 68 ILE MD 4.270 . 4.270 3.869 3.843 3.891 . 0 0 "[ . 1 . 2]" 1
972 1 68 ILE HA 1 71 LYS H 4.470 . 4.470 4.049 3.840 4.258 . 0 0 "[ . 1 . 2]" 1
973 1 68 ILE HA 1 71 LYS HB2 4.540 . 4.540 4.169 3.312 5.013 0.473 11 0 "[ . 1 . 2]" 1
974 1 68 ILE HA 1 71 LYS QB 3.930 . 3.930 3.489 3.269 3.819 . 0 0 "[ . 1 . 2]" 1
975 1 68 ILE HA 1 71 LYS HB3 4.540 . 4.540 4.327 3.463 5.036 0.496 5 0 "[ . 1 . 2]" 1
976 1 68 ILE HB 1 69 PHE H 4.940 . 4.940 2.419 2.325 2.619 . 0 0 "[ . 1 . 2]" 1
977 1 68 ILE QG 1 68 ILE MG . . 3.320 2.289 2.257 2.325 . 0 0 "[ . 1 . 2]" 1
978 1 68 ILE QG 1 69 PHE H 3.970 . 3.970 3.915 3.823 4.018 0.048 8 0 "[ . 1 . 2]" 1
979 1 68 ILE MG 1 69 PHE H 4.140 . 4.140 3.331 3.226 3.477 . 0 0 "[ . 1 . 2]" 1
980 1 68 ILE MG 1 72 LEU HA 5.250 . 5.250 5.334 5.093 5.615 0.365 11 0 "[ . 1 . 2]" 1
981 1 68 ILE MG 1 72 LEU HG 3.310 . 3.310 3.019 2.780 3.203 . 0 0 "[ . 1 . 2]" 1
982 1 69 PHE H 1 69 PHE QB 3.810 . 3.810 2.245 2.233 2.258 . 0 0 "[ . 1 . 2]" 1
983 1 69 PHE H 1 69 PHE QD 4.430 . 4.430 4.172 4.152 4.189 . 0 0 "[ . 1 . 2]" 1
984 1 69 PHE H 1 70 GLN H 4.000 . 4.000 2.744 2.605 2.895 . 0 0 "[ . 1 . 2]" 1
985 1 69 PHE H 1 72 LEU HG 5.190 . 5.190 5.991 5.854 6.029 0.839 4 20 [***+*****-**********] 1
986 1 69 PHE HA 1 69 PHE QD 3.960 . 3.960 2.600 2.428 2.785 . 0 0 "[ . 1 . 2]" 1
987 1 69 PHE HA 1 72 LEU H 4.530 . 4.530 3.785 3.631 3.896 . 0 0 "[ . 1 . 2]" 1
988 1 69 PHE HA 1 72 LEU HB2 3.880 . 3.880 2.883 2.738 3.051 . 0 0 "[ . 1 . 2]" 1
989 1 69 PHE HA 1 72 LEU HG 4.140 . 4.140 4.425 4.278 4.603 0.463 19 0 "[ . 1 . 2]" 1
990 1 69 PHE QB 1 70 GLN H 4.270 . 4.270 2.639 2.416 2.886 . 0 0 "[ . 1 . 2]" 1
991 1 69 PHE QB 1 70 GLN HB2 5.500 . 5.500 5.475 5.385 5.619 0.119 11 0 "[ . 1 . 2]" 1
992 1 69 PHE QB 1 78 ALA MB . . 3.560 3.522 3.407 3.587 0.027 9 0 "[ . 1 . 2]" 1
993 1 69 PHE QD 1 72 LEU HG 5.250 . 5.250 5.933 5.549 6.030 0.780 9 19 "[********+** *******-]" 1
994 1 69 PHE QD 1 77 ILE MG 4.380 . 4.380 4.655 3.753 5.015 0.635 10 8 "[** . +* - . ***]" 1
995 1 69 PHE QD 1 78 ALA MB 3.940 . 3.940 2.347 1.967 2.601 . 0 0 "[ . 1 . 2]" 1
996 1 69 PHE QE 1 77 ILE MD 5.050 . 5.050 4.393 3.884 4.706 . 0 0 "[ . 1 . 2]" 1
997 1 69 PHE QE 1 77 ILE MG 4.390 . 4.390 3.320 2.512 3.897 . 0 0 "[ . 1 . 2]" 1
998 1 69 PHE QE 1 78 ALA MB 3.980 . 3.980 3.367 2.503 3.838 . 0 0 "[ . 1 . 2]" 1
999 1 70 GLN H 1 70 GLN HB2 3.960 . 3.960 3.603 3.588 3.643 . 0 0 "[ . 1 . 2]" 1
1000 1 70 GLN H 1 70 GLN HB3 3.760 . 3.760 2.515 2.415 2.610 . 0 0 "[ . 1 . 2]" 1
1001 1 70 GLN H 1 70 GLN HG2 3.980 . 3.980 2.244 2.089 2.450 . 0 0 "[ . 1 . 2]" 1
1002 1 70 GLN H 1 70 GLN QG 3.430 . 3.430 2.217 2.071 2.411 . 0 0 "[ . 1 . 2]" 1
1003 1 70 GLN H 1 70 GLN HG3 3.980 . 3.980 3.454 3.351 3.580 . 0 0 "[ . 1 . 2]" 1
1004 1 70 GLN H 1 71 LYS H 3.750 . 3.750 2.817 2.587 2.929 . 0 0 "[ . 1 . 2]" 1
1005 1 70 GLN H 1 78 ALA MB 3.520 . 3.520 3.406 3.256 3.620 0.100 19 0 "[ . 1 . 2]" 1
1006 1 70 GLN HA 1 70 GLN QG 3.660 . 3.660 3.357 3.353 3.362 . 0 0 "[ . 1 . 2]" 1
1007 1 70 GLN HA 1 73 ASN H 4.630 . 4.630 3.862 3.783 3.961 . 0 0 "[ . 1 . 2]" 1
1008 1 70 GLN HA 1 74 TYR H 4.670 . 4.670 3.102 2.946 3.283 . 0 0 "[ . 1 . 2]" 1
1009 1 70 GLN HA 1 78 ALA H 4.530 . 4.530 3.970 3.796 4.116 . 0 0 "[ . 1 . 2]" 1
1010 1 70 GLN HA 1 78 ALA MB 3.840 . 3.840 2.503 2.335 2.652 . 0 0 "[ . 1 . 2]" 1
1011 1 70 GLN HB2 1 71 LYS H 4.230 . 4.230 3.501 3.327 3.594 . 0 0 "[ . 1 . 2]" 1
1012 1 70 GLN HB2 1 71 LYS HA 4.810 . 4.810 4.441 4.300 4.550 . 0 0 "[ . 1 . 2]" 1
1013 1 70 GLN HB3 1 71 LYS H 4.220 . 4.220 3.717 3.669 3.753 . 0 0 "[ . 1 . 2]" 1
1014 1 70 GLN HB3 1 78 ALA H 4.980 . 4.980 4.476 4.218 4.605 . 0 0 "[ . 1 . 2]" 1
1015 1 70 GLN HB3 1 78 ALA MB 3.630 . 3.630 1.931 1.843 2.012 . 0 0 "[ . 1 . 2]" 1
1016 1 70 GLN QE 1 78 ALA MB 4.340 . 4.340 3.840 2.333 4.862 0.522 11 1 "[ . 1+ . 2]" 1
1017 1 70 GLN QG 1 71 LYS H 4.490 . 4.490 1.780 1.738 1.837 . 0 0 "[ . 1 . 2]" 1
1018 1 70 GLN QG 1 71 LYS QB 3.780 . 3.780 2.913 2.585 3.334 . 0 0 "[ . 1 . 2]" 1
1019 1 70 GLN QG 1 78 ALA MB 3.630 . 3.630 3.627 3.579 3.673 0.043 18 0 "[ . 1 . 2]" 1
1020 1 70 GLN HG2 1 78 ALA MB 4.410 . 4.410 3.925 3.861 3.994 . 0 0 "[ . 1 . 2]" 1
1021 1 70 GLN HG3 1 78 ALA MB 4.410 . 4.410 4.268 4.221 4.295 . 0 0 "[ . 1 . 2]" 1
1022 1 71 LYS H 1 71 LYS HB2 3.580 . 3.580 2.417 2.320 2.494 . 0 0 "[ . 1 . 2]" 1
1023 1 71 LYS H 1 71 LYS HB3 3.580 . 3.580 3.032 2.522 3.575 . 0 0 "[ . 1 . 2]" 1
1024 1 71 LYS H 1 71 LYS QD 5.200 . 5.200 4.200 3.386 4.715 . 0 0 "[ . 1 . 2]" 1
1025 1 71 LYS H 1 71 LYS QG 4.560 . 4.560 3.206 2.169 4.029 . 0 0 "[ . 1 . 2]" 1
1026 1 71 LYS H 1 72 LEU H 3.900 . 3.900 2.748 2.714 2.773 . 0 0 "[ . 1 . 2]" 1
1027 1 71 LYS H 1 72 LEU HB2 4.350 . 4.350 4.406 4.346 4.446 0.096 3 0 "[ . 1 . 2]" 1
1028 1 71 LYS HA 1 71 LYS QG 3.410 . 3.410 2.476 2.369 2.946 . 0 0 "[ . 1 . 2]" 1
1029 1 71 LYS QB 1 71 LYS QD 3.260 . 3.260 2.297 2.109 2.787 . 0 0 "[ . 1 . 2]" 1
1030 1 71 LYS QB 1 71 LYS QE 3.140 . 3.140 2.497 1.961 3.584 0.444 9 0 "[ . 1 . 2]" 1
1031 1 72 LEU H 1 72 LEU HB2 3.350 . 3.350 2.190 2.159 2.227 . 0 0 "[ . 1 . 2]" 1
1032 1 72 LEU H 1 72 LEU HB3 3.940 . 3.940 3.338 3.302 3.367 . 0 0 "[ . 1 . 2]" 1
1033 1 72 LEU H 1 72 LEU HG 4.100 . 4.100 4.416 4.366 4.478 0.378 2 0 "[ . 1 . 2]" 1
1034 1 72 LEU H 1 73 ASN H 3.200 . 3.200 2.334 2.270 2.399 . 0 0 "[ . 1 . 2]" 1
1035 1 72 LEU H 1 74 TYR H 5.000 . 5.000 4.012 3.921 4.113 . 0 0 "[ . 1 . 2]" 1
1036 1 72 LEU HA 1 72 LEU QD 3.290 . 3.290 1.850 1.832 1.869 . 0 0 "[ . 1 . 2]" 1
1037 1 72 LEU HA 1 72 LEU HG 3.690 . 3.690 3.616 3.611 3.621 . 0 0 "[ . 1 . 2]" 1
1038 1 72 LEU HB2 1 72 LEU QD 3.100 . 3.100 2.323 2.288 2.355 . 0 0 "[ . 1 . 2]" 1
1039 1 72 LEU HB2 1 72 LEU HG 2.930 . 2.930 2.410 2.385 2.433 . 0 0 "[ . 1 . 2]" 1
1040 1 72 LEU HB2 1 73 ASN H 4.190 . 4.190 2.984 2.964 3.021 . 0 0 "[ . 1 . 2]" 1
1041 1 72 LEU HB2 1 74 TYR H 4.610 . 4.610 5.041 5.021 5.078 0.468 4 0 "[ . 1 . 2]" 1
1042 1 72 LEU HB3 1 74 TYR H 4.650 . 4.650 5.095 5.056 5.139 0.489 17 0 "[ . 1 . 2]" 1
1043 1 72 LEU QD 1 73 ASN HA 5.440 . 5.440 4.550 4.471 4.583 . 0 0 "[ . 1 . 2]" 1
1044 1 72 LEU HG 1 73 ASN H 4.870 . 4.870 5.106 5.097 5.112 0.242 5 0 "[ . 1 . 2]" 1
1045 1 73 ASN H 1 73 ASN QB 3.540 . 3.540 2.655 2.539 3.098 . 0 0 "[ . 1 . 2]" 1
1046 1 73 ASN H 1 74 TYR H 3.580 . 3.580 2.235 2.224 2.258 . 0 0 "[ . 1 . 2]" 1
1047 1 73 ASN H 1 75 MET H 4.260 . 4.260 4.175 4.109 4.246 . 0 0 "[ . 1 . 2]" 1
1048 1 74 TYR H 1 74 TYR HB2 4.000 . 4.000 2.726 2.682 2.777 . 0 0 "[ . 1 . 2]" 1
1049 1 74 TYR H 1 74 TYR QB 3.490 . 3.490 2.670 2.627 2.718 . 0 0 "[ . 1 . 2]" 1
1050 1 74 TYR H 1 74 TYR HB3 4.000 . 4.000 3.823 3.754 3.868 . 0 0 "[ . 1 . 2]" 1
1051 1 74 TYR H 1 74 TYR QD 4.360 . 4.360 3.482 3.103 3.874 . 0 0 "[ . 1 . 2]" 1
1052 1 74 TYR H 1 75 MET H 4.600 . 4.600 3.162 3.125 3.200 . 0 0 "[ . 1 . 2]" 1
1053 1 74 TYR QB 1 77 ILE H 4.080 . 4.080 2.335 2.204 2.583 . 0 0 "[ . 1 . 2]" 1
1054 1 74 TYR QB 1 77 ILE HB 4.080 . 4.080 2.218 1.822 3.356 . 0 0 "[ . 1 . 2]" 1
1055 1 74 TYR QB 1 77 ILE MD 3.660 . 3.660 2.823 2.225 4.046 0.386 3 0 "[ . 1 . 2]" 1
1056 1 74 TYR QB 1 77 ILE QG 4.320 . 4.320 2.988 2.197 4.578 0.258 8 0 "[ . 1 . 2]" 1
1057 1 74 TYR QB 1 78 ALA H 4.380 . 4.380 3.169 2.866 3.658 . 0 0 "[ . 1 . 2]" 1
1058 1 74 TYR QB 1 78 ALA MB 5.100 . 5.100 3.825 3.573 4.109 . 0 0 "[ . 1 . 2]" 1
1059 1 74 TYR HB2 1 77 ILE H 4.650 . 4.650 3.834 3.599 3.987 . 0 0 "[ . 1 . 2]" 1
1060 1 74 TYR HB2 1 77 ILE HB 4.670 . 4.670 3.082 2.353 4.505 . 0 0 "[ . 1 . 2]" 1
1061 1 74 TYR HB2 1 77 ILE MD 4.450 . 4.450 3.461 2.733 4.660 0.210 3 0 "[ . 1 . 2]" 1
1062 1 74 TYR HB3 1 77 ILE H 4.650 . 4.650 2.356 2.218 2.619 . 0 0 "[ . 1 . 2]" 1
1063 1 74 TYR HB3 1 77 ILE HB 4.670 . 4.670 2.278 1.844 3.463 . 0 0 "[ . 1 . 2]" 1
1064 1 74 TYR HB3 1 77 ILE MD 4.450 . 4.450 3.008 2.356 4.442 . 0 0 "[ . 1 . 2]" 1
1065 1 74 TYR QD 1 77 ILE MD 4.490 . 4.490 3.228 2.570 4.884 0.394 8 0 "[ . 1 . 2]" 1
1066 1 74 TYR QE 1 77 ILE MD 5.330 . 5.330 3.877 3.171 5.822 0.492 8 0 "[ . 1 . 2]" 1
1067 1 75 MET H 1 75 MET QB 3.450 . 3.450 2.433 2.234 2.577 . 0 0 "[ . 1 . 2]" 1
1068 1 75 MET H 1 75 MET HG2 4.400 . 4.400 2.687 2.003 4.493 0.093 9 0 "[ . 1 . 2]" 1
1069 1 75 MET H 1 75 MET QG 3.550 . 3.550 2.499 1.981 3.972 0.422 2 0 "[ . 1 . 2]" 1
1070 1 75 MET H 1 75 MET HG3 4.400 . 4.400 3.476 2.094 4.438 0.038 2 0 "[ . 1 . 2]" 1
1071 1 75 MET H 1 76 HIS H 4.120 . 4.120 2.789 2.749 2.860 . 0 0 "[ . 1 . 2]" 1
1072 1 75 MET H 1 76 HIS QB 4.990 . 4.990 4.645 4.500 5.023 0.033 12 0 "[ . 1 . 2]" 1
1073 1 75 MET H 1 78 ALA MB 5.280 . 5.280 4.771 4.642 5.042 . 0 0 "[ . 1 . 2]" 1
1074 1 75 MET HA 1 75 MET HG2 4.180 . 4.180 3.629 3.018 4.219 0.039 15 0 "[ . 1 . 2]" 1
1075 1 75 MET HA 1 75 MET HG3 4.180 . 4.180 3.514 2.575 3.781 . 0 0 "[ . 1 . 2]" 1
1076 1 75 MET HA 1 76 HIS HA 4.740 . 4.740 4.705 4.670 4.717 . 0 0 "[ . 1 . 2]" 1
1077 1 75 MET HA 1 78 ALA H 4.400 . 4.400 3.920 3.724 4.053 . 0 0 "[ . 1 . 2]" 1
1078 1 75 MET HA 1 78 ALA MB 3.500 . 3.500 2.895 2.697 3.131 . 0 0 "[ . 1 . 2]" 1
1079 1 76 HIS H 1 76 HIS QB 3.570 . 3.570 2.332 2.240 2.633 . 0 0 "[ . 1 . 2]" 1
1080 1 76 HIS H 1 77 ILE H 4.270 . 4.270 2.543 2.440 2.600 . 0 0 "[ . 1 . 2]" 1
1081 1 76 HIS H 1 79 ASN H 4.840 . 4.840 4.791 4.591 4.968 0.128 15 0 "[ . 1 . 2]" 1
1082 1 76 HIS HA 1 79 ASN HB2 4.260 . 4.260 3.471 3.163 3.756 . 0 0 "[ . 1 . 2]" 1
1083 1 76 HIS HA 1 79 ASN HB3 4.150 . 4.150 3.894 3.267 5.022 0.872 7 4 "[ *. + 1 .*- 2]" 1
1084 1 77 ILE H 1 77 ILE HB 3.540 . 3.540 2.462 2.373 2.626 . 0 0 "[ . 1 . 2]" 1
1085 1 77 ILE H 1 77 ILE MD 4.070 . 4.070 3.856 3.623 4.428 0.358 9 0 "[ . 1 . 2]" 1
1086 1 77 ILE H 1 77 ILE HG12 4.750 . 4.750 3.772 3.433 4.580 . 0 0 "[ . 1 . 2]" 1
1087 1 77 ILE H 1 77 ILE QG 3.940 . 3.940 2.699 2.168 3.995 0.055 3 0 "[ . 1 . 2]" 1
1088 1 77 ILE H 1 77 ILE HG13 4.750 . 4.750 2.829 2.192 4.470 . 0 0 "[ . 1 . 2]" 1
1089 1 77 ILE H 1 77 ILE MG 4.480 . 4.480 3.347 1.958 3.765 . 0 0 "[ . 1 . 2]" 1
1090 1 77 ILE H 1 78 ALA H 3.830 . 3.830 2.696 2.578 2.791 . 0 0 "[ . 1 . 2]" 1
1091 1 77 ILE H 1 78 ALA MB 4.450 . 4.450 4.336 4.251 4.423 . 0 0 "[ . 1 . 2]" 1
1092 1 77 ILE HA 1 77 ILE MD 3.780 . 3.780 3.770 3.649 3.812 0.032 1 0 "[ . 1 . 2]" 1
1093 1 77 ILE HA 1 77 ILE QG 3.700 . 3.700 2.320 2.215 2.377 . 0 0 "[ . 1 . 2]" 1
1094 1 77 ILE HA 1 77 ILE MG 3.510 . 3.510 2.660 2.434 3.204 . 0 0 "[ . 1 . 2]" 1
1095 1 77 ILE HA 1 80 ALA H 4.400 . 4.400 3.721 3.516 3.882 . 0 0 "[ . 1 . 2]" 1
1096 1 77 ILE HA 1 80 ALA MB 3.510 . 3.510 3.611 3.351 3.797 0.287 5 0 "[ . 1 . 2]" 1
1097 1 77 ILE HB 1 77 ILE MD 3.650 . 3.650 2.420 2.320 2.451 . 0 0 "[ . 1 . 2]" 1
1098 1 77 ILE HB 1 78 ALA H 3.670 . 3.670 2.853 2.443 3.974 0.304 8 0 "[ . 1 . 2]" 1
1099 1 77 ILE MD 1 77 ILE MG 3.330 . 3.330 1.974 1.884 2.169 . 0 0 "[ . 1 . 2]" 1
1100 1 77 ILE QG 1 77 ILE MG 3.140 . 3.140 2.326 2.164 2.373 . 0 0 "[ . 1 . 2]" 1
1101 1 77 ILE QG 1 78 ALA H 4.860 . 4.860 4.012 3.539 4.119 . 0 0 "[ . 1 . 2]" 1
1102 1 77 ILE MG 1 78 ALA H 4.410 . 4.410 2.864 1.924 3.328 . 0 0 "[ . 1 . 2]" 1
1103 1 77 ILE MG 1 78 ALA HA 4.160 . 4.160 3.116 2.935 3.307 . 0 0 "[ . 1 . 2]" 1
1104 1 77 ILE MG 1 78 ALA MB 3.830 . 3.830 3.642 2.866 4.081 0.251 1 0 "[ . 1 . 2]" 1
1105 1 78 ALA H 1 78 ALA MB 3.280 . 3.280 2.230 2.221 2.242 . 0 0 "[ . 1 . 2]" 1
1106 1 78 ALA H 1 79 ASN H 3.820 . 3.820 2.741 2.663 2.796 . 0 0 "[ . 1 . 2]" 1
1107 1 78 ALA HA 1 81 LEU H 5.160 . 5.160 3.131 3.072 3.243 . 0 0 "[ . 1 . 2]" 1
1108 1 78 ALA MB 1 79 ASN H 3.660 . 3.660 2.773 2.757 2.796 . 0 0 "[ . 1 . 2]" 1
1109 1 78 ALA MB 1 80 ALA H 4.860 . 4.860 4.548 4.436 4.704 . 0 0 "[ . 1 . 2]" 1
1110 1 79 ASN H 1 79 ASN HB2 3.480 . 3.480 2.469 2.360 2.551 . 0 0 "[ . 1 . 2]" 1
1111 1 79 ASN H 1 79 ASN HB3 3.800 . 3.800 2.797 2.514 3.598 . 0 0 "[ . 1 . 2]" 1
1112 1 79 ASN H 1 80 ALA H 3.720 . 3.720 2.774 2.688 2.855 . 0 0 "[ . 1 . 2]" 1
1113 1 79 ASN H 1 80 ALA MB 4.550 . 4.550 4.464 4.379 4.541 . 0 0 "[ . 1 . 2]" 1
1114 1 79 ASN HA 1 82 GLU H 4.680 . 4.680 3.745 3.634 3.927 . 0 0 "[ . 1 . 2]" 1
1115 1 79 ASN HA 1 82 GLU HB3 3.680 . 3.680 3.876 3.286 4.024 0.344 4 0 "[ . 1 . 2]" 1
1116 1 79 ASN HA 1 82 GLU QG 4.670 . 4.670 2.393 2.053 3.828 . 0 0 "[ . 1 . 2]" 1
1117 1 79 ASN HB3 1 80 ALA H 3.900 . 3.900 2.894 2.504 3.793 . 0 0 "[ . 1 . 2]" 1
1118 1 79 ASN HB3 1 80 ALA HA 4.430 . 4.430 4.311 4.178 4.453 0.023 16 0 "[ . 1 . 2]" 1
1119 1 80 ALA H 1 80 ALA MB 3.180 . 3.180 2.248 2.243 2.253 . 0 0 "[ . 1 . 2]" 1
1120 1 80 ALA H 1 81 LEU H 3.950 . 3.950 2.527 2.495 2.594 . 0 0 "[ . 1 . 2]" 1
1121 1 80 ALA H 1 81 LEU QB 5.240 . 5.240 4.472 4.238 4.718 . 0 0 "[ . 1 . 2]" 1
1122 1 80 ALA MB 1 81 LEU H 3.470 . 3.470 2.679 2.515 2.739 . 0 0 "[ . 1 . 2]" 1
1123 1 81 LEU H 1 81 LEU QB 3.490 . 3.490 2.340 2.115 2.572 . 0 0 "[ . 1 . 2]" 1
1124 1 81 LEU H 1 82 GLU H 3.470 . 3.470 2.648 2.611 2.754 . 0 0 "[ . 1 . 2]" 1
1125 1 81 LEU H 1 82 GLU HB3 4.730 . 4.730 4.965 4.748 5.008 0.278 18 0 "[ . 1 . 2]" 1
1126 1 81 LEU H 1 82 GLU QG 4.890 . 4.890 3.963 3.792 4.739 . 0 0 "[ . 1 . 2]" 1
1127 1 81 LEU H 1 83 GLU H 4.320 . 4.320 4.050 3.923 4.347 0.027 11 0 "[ . 1 . 2]" 1
1128 1 81 LEU QB 1 82 GLU H 3.910 . 3.910 2.558 2.432 2.803 . 0 0 "[ . 1 . 2]" 1
1129 1 82 GLU H 1 82 GLU HB3 2.990 . 2.990 2.474 2.219 2.522 . 0 0 "[ . 1 . 2]" 1
1130 1 82 GLU H 1 82 GLU QG 3.180 . 3.180 2.259 2.147 2.787 . 0 0 "[ . 1 . 2]" 1
1131 1 82 GLU H 1 83 GLU H 3.510 . 3.510 2.728 2.685 2.806 . 0 0 "[ . 1 . 2]" 1
1132 1 82 GLU HA 1 82 GLU QG 3.560 . 3.560 3.337 3.291 3.344 . 0 0 "[ . 1 . 2]" 1
1133 1 82 GLU HA 1 83 GLU H 3.560 . 3.560 3.470 3.460 3.501 . 0 0 "[ . 1 . 2]" 1
1134 1 82 GLU HB3 1 82 GLU QG 2.560 . 2.560 2.320 2.286 2.369 . 0 0 "[ . 1 . 2]" 1
1135 1 82 GLU HB3 1 83 GLU H 4.520 . 4.520 4.068 3.906 4.124 . 0 0 "[ . 1 . 2]" 1
1136 1 82 GLU QG 1 83 GLU H 3.320 . 3.320 2.441 2.289 2.542 . 0 0 "[ . 1 . 2]" 1
1137 1 82 GLU QG 1 83 GLU HA 3.960 . 3.960 3.237 3.037 3.360 . 0 0 "[ . 1 . 2]" 1
1138 1 83 GLU H 1 83 GLU QB 2.770 . 2.770 2.353 2.218 2.550 . 0 0 "[ . 1 . 2]" 1
1139 1 83 GLU HA 1 83 GLU QG 3.660 . 3.660 2.622 2.394 3.337 . 0 0 "[ . 1 . 2]" 1
1140 1 83 GLU QB 1 83 GLU QG 2.290 . 2.290 2.057 1.978 2.087 . 0 0 "[ . 1 . 2]" 1
1141 1 83 GLU QB 1 84 LYS H 3.330 . 3.330 2.760 2.631 3.510 0.180 11 0 "[ . 1 . 2]" 1
1142 1 83 GLU QG 1 84 LYS H 4.060 . 4.060 3.874 2.262 4.645 0.585 3 1 "[ + . 1 . 2]" 1
1143 1 84 LYS H 1 84 LYS QZ 4.970 . 4.970 4.452 3.385 5.060 0.090 4 0 "[ . 1 . 2]" 1
1144 1 84 LYS HA 1 88 ALA MB 5.480 . 5.480 5.211 4.883 5.563 0.083 2 0 "[ . 1 . 2]" 1
1145 1 84 LYS QB 1 88 ALA MB 3.980 . 3.980 4.556 3.938 4.809 0.829 13 13 "[**-*** * 1 + .*****]" 1
1146 1 84 LYS QG 1 88 ALA H 3.910 . 3.910 3.977 3.804 5.011 1.101 11 1 "[ . 1+ . 2]" 1
1147 1 84 LYS QG 1 88 ALA MB 3.530 . 3.530 3.543 3.061 4.785 1.255 11 1 "[ . 1+ . 2]" 1
1148 1 84 LYS QG 1 91 LYS QD 3.880 . 3.880 4.294 4.059 4.578 0.698 1 6 "[+ * .- 1* .* *]" 1
1149 1 85 LYS H 1 88 ALA MB 4.360 . 4.360 4.442 4.112 4.651 0.291 11 0 "[ . 1 . 2]" 1
1150 1 86 LYS H 1 86 LYS QD 4.550 . 4.550 3.855 2.062 4.656 0.106 17 0 "[ . 1 . 2]" 1
1151 1 86 LYS H 1 86 LYS QE 4.840 . 4.840 4.297 3.390 5.052 0.212 19 0 "[ . 1 . 2]" 1
1152 1 86 LYS H 1 86 LYS QG 4.060 . 4.060 2.783 1.942 4.053 . 0 0 "[ . 1 . 2]" 1
1153 1 86 LYS H 1 86 LYS QZ 4.400 . 4.400 4.405 3.286 5.026 0.626 18 4 "[ .** 1 . + -]" 1
1154 1 86 LYS QG 1 87 GLU H 4.820 . 4.820 3.666 2.121 4.574 . 0 0 "[ . 1 . 2]" 1
1155 1 87 GLU H 1 87 GLU QB 3.660 . 3.660 2.268 2.257 2.277 . 0 0 "[ . 1 . 2]" 1
1156 1 87 GLU H 1 88 ALA H 4.100 . 4.100 2.440 2.401 2.574 . 0 0 "[ . 1 . 2]" 1
1157 1 87 GLU HA 1 87 GLU QG 3.310 . 3.310 2.513 2.427 2.862 . 0 0 "[ . 1 . 2]" 1
1158 1 87 GLU HA 1 90 ARG QB 4.230 . 4.230 4.694 4.496 4.808 0.578 3 6 "[ + . **1 - * *]" 1
1159 1 87 GLU HA 1 90 ARG QD 4.400 . 4.400 3.779 3.267 4.484 0.084 3 0 "[ . 1 . 2]" 1
1160 1 87 GLU HA 1 90 ARG QG 4.180 . 4.180 2.999 2.637 3.357 . 0 0 "[ . 1 . 2]" 1
1161 1 87 GLU QB 1 88 ALA H 3.630 . 3.630 2.825 2.778 2.844 . 0 0 "[ . 1 . 2]" 1
1162 1 87 GLU QB 1 88 ALA HA 4.410 . 4.410 4.125 4.020 4.174 . 0 0 "[ . 1 . 2]" 1
1163 1 87 GLU QB 1 88 ALA MB 4.950 . 4.950 4.069 4.010 4.156 . 0 0 "[ . 1 . 2]" 1
1164 1 87 GLU QB 1 91 LYS QG 4.030 . 4.030 4.311 3.912 4.531 0.501 15 1 "[ . 1 + 2]" 1
1165 1 87 GLU QG 1 88 ALA H 4.230 . 4.230 3.890 3.812 4.087 . 0 0 "[ . 1 . 2]" 1
1166 1 87 GLU QG 1 88 ALA HA 4.230 . 4.230 3.858 3.754 4.149 . 0 0 "[ . 1 . 2]" 1
1167 1 87 GLU QG 1 90 ARG QB 5.200 . 5.200 4.735 4.402 4.990 . 0 0 "[ . 1 . 2]" 1
1168 1 87 GLU QG 1 90 ARG QG 3.140 . 3.140 2.949 2.622 3.153 0.013 18 0 "[ . 1 . 2]" 1
1169 1 87 GLU HG2 1 90 ARG QG 3.960 . 3.960 3.498 3.039 4.660 0.700 3 2 "[ + . 1 . -]" 1
1170 1 87 GLU HG3 1 90 ARG QG 3.960 . 3.960 3.253 2.782 3.576 . 0 0 "[ . 1 . 2]" 1
1171 1 88 ALA H 1 88 ALA MB 3.080 . 3.080 2.226 2.209 2.235 . 0 0 "[ . 1 . 2]" 1
1172 1 88 ALA H 1 90 ARG H 4.650 . 4.650 4.771 4.701 4.853 0.203 14 0 "[ . 1 . 2]" 1
1173 1 88 ALA H 1 90 ARG QG 5.220 . 5.220 4.847 4.716 5.027 . 0 0 "[ . 1 . 2]" 1
1174 1 88 ALA H 1 91 LYS QD 4.810 . 4.810 4.010 3.781 4.453 . 0 0 "[ . 1 . 2]" 1
1175 1 88 ALA H 1 91 LYS QG 4.500 . 4.500 4.533 4.201 4.791 0.291 15 0 "[ . 1 . 2]" 1
1176 1 88 ALA HA 1 91 LYS H 4.150 . 4.150 3.218 3.153 3.302 . 0 0 "[ . 1 . 2]" 1
1177 1 88 ALA HA 1 91 LYS QB 3.420 . 3.420 2.263 1.995 2.518 . 0 0 "[ . 1 . 2]" 1
1178 1 88 ALA HA 1 91 LYS QD 3.760 . 3.760 2.004 1.842 2.421 . 0 0 "[ . 1 . 2]" 1
1179 1 88 ALA HA 1 91 LYS QG 3.800 . 3.800 2.698 2.295 3.136 . 0 0 "[ . 1 . 2]" 1
1180 1 88 ALA MB 1 89 GLU H 3.450 . 3.450 2.802 2.776 2.835 . 0 0 "[ . 1 . 2]" 1
1181 1 88 ALA MB 1 89 GLU HA 4.070 . 4.070 3.856 3.816 3.869 . 0 0 "[ . 1 . 2]" 1
1182 1 88 ALA MB 1 89 GLU QB 5.170 . 5.170 4.533 4.074 4.640 . 0 0 "[ . 1 . 2]" 1
1183 1 88 ALA MB 1 89 GLU QG 4.240 . 4.240 3.881 3.574 5.066 0.826 10 2 "[ . -+ . 2]" 1
1184 1 88 ALA MB 1 91 LYS QD 3.940 . 3.940 3.148 2.938 3.571 . 0 0 "[ . 1 . 2]" 1
1185 1 89 GLU H 1 89 GLU QB 3.110 . 3.110 2.450 2.116 2.551 . 0 0 "[ . 1 . 2]" 1
1186 1 89 GLU H 1 89 GLU HG2 4.320 . 4.320 2.937 2.023 4.523 0.203 10 0 "[ . 1 . 2]" 1
1187 1 89 GLU H 1 89 GLU HG3 4.320 . 4.320 2.988 2.031 4.484 0.164 9 0 "[ . 1 . 2]" 1
1188 1 89 GLU H 1 90 ARG H 3.560 . 3.560 2.942 2.887 2.976 . 0 0 "[ . 1 . 2]" 1
1189 1 89 GLU H 1 90 ARG QG 5.490 . 5.490 4.144 4.017 4.322 . 0 0 "[ . 1 . 2]" 1
1190 1 89 GLU H 1 91 LYS H 3.860 . 3.860 3.878 3.787 4.003 0.143 15 0 "[ . 1 . 2]" 1
1191 1 89 GLU HA 1 89 GLU HG2 3.720 . 3.720 2.857 2.387 3.780 0.060 15 0 "[ . 1 . 2]" 1
1192 1 89 GLU HA 1 89 GLU HG3 3.720 . 3.720 3.312 2.436 3.762 0.042 16 0 "[ . 1 . 2]" 1
1193 1 89 GLU QB 1 90 ARG H 3.620 . 3.620 2.376 2.267 3.368 . 0 0 "[ . 1 . 2]" 1
1194 1 89 GLU QB 1 91 LYS H 4.820 . 4.820 4.312 4.210 4.841 0.021 15 0 "[ . 1 . 2]" 1
1195 1 90 ARG H 1 90 ARG QB 3.170 . 3.170 2.561 2.498 2.617 . 0 0 "[ . 1 . 2]" 1
1196 1 90 ARG H 1 90 ARG QG 4.240 . 4.240 2.064 1.929 2.196 . 0 0 "[ . 1 . 2]" 1
1197 1 90 ARG HA 1 90 ARG QG 3.690 . 3.690 3.344 3.340 3.348 . 0 0 "[ . 1 . 2]" 1
1198 1 90 ARG QG 1 91 LYS H 3.900 . 3.900 2.606 2.365 2.797 . 0 0 "[ . 1 . 2]" 1
1199 1 90 ARG QG 1 91 LYS HA 4.490 . 4.490 3.414 3.239 3.528 . 0 0 "[ . 1 . 2]" 1
1200 1 90 ARG QG 1 91 LYS QG 4.050 . 4.050 2.566 2.287 2.786 . 0 0 "[ . 1 . 2]" 1
1201 1 90 ARG QG 1 91 LYS QZ 5.500 . 5.500 4.858 4.323 5.588 0.088 3 0 "[ . 1 . 2]" 1
1202 1 91 LYS H 1 91 LYS QB 3.110 . 3.110 2.389 2.317 2.470 . 0 0 "[ . 1 . 2]" 1
1203 1 91 LYS H 1 91 LYS QG . . 3.860 2.400 2.196 2.582 . 0 0 "[ . 1 . 2]" 1
1204 1 91 LYS HA 1 91 LYS QD 4.750 . 4.750 4.200 4.154 4.241 . 0 0 "[ . 1 . 2]" 1
1205 1 91 LYS HA 1 93 MET H 5.100 . 5.100 3.805 3.462 4.432 . 0 0 "[ . 1 . 2]" 1
1206 1 91 LYS HA 1 94 THR H 4.830 . 4.830 3.994 3.091 4.441 . 0 0 "[ . 1 . 2]" 1
1207 1 91 LYS QB 1 91 LYS QD 2.860 . 2.860 2.297 2.211 2.329 . 0 0 "[ . 1 . 2]" 1
1208 1 91 LYS QB 1 91 LYS QE 4.500 . 4.500 2.046 1.957 2.980 . 0 0 "[ . 1 . 2]" 1
1209 1 91 LYS QB 1 92 LEU QD 4.660 . 4.660 3.157 2.147 4.675 0.015 15 0 "[ . 1 . 2]" 1
1210 1 92 LEU H 1 92 LEU QB 3.510 . 3.510 2.388 2.258 2.506 . 0 0 "[ . 1 . 2]" 1
1211 1 92 LEU H 1 92 LEU QD 4.200 . 4.200 3.056 2.252 3.762 . 0 0 "[ . 1 . 2]" 1
1212 1 92 LEU H 1 93 MET H 3.150 . 3.150 2.372 2.030 2.647 . 0 0 "[ . 1 . 2]" 1
1213 1 92 LEU HA 1 92 LEU QD 3.310 . 3.310 2.128 1.876 2.682 . 0 0 "[ . 1 . 2]" 1
1214 1 92 LEU HA 1 92 LEU HG 3.880 . 3.880 3.012 2.393 3.710 . 0 0 "[ . 1 . 2]" 1
1215 1 92 LEU QD 1 93 MET H 4.800 . 4.800 4.237 3.854 4.403 . 0 0 "[ . 1 . 2]" 1
1216 1 93 MET H 1 93 MET HB2 4.030 . 4.030 2.614 2.341 2.900 . 0 0 "[ . 1 . 2]" 1
1217 1 93 MET H 1 93 MET QB 3.330 . 3.330 2.372 2.269 2.503 . 0 0 "[ . 1 . 2]" 1
1218 1 93 MET H 1 93 MET HB3 4.030 . 4.030 2.992 2.441 3.708 . 0 0 "[ . 1 . 2]" 1
1219 1 93 MET H 1 93 MET QG 4.460 . 4.460 3.487 2.443 4.072 . 0 0 "[ . 1 . 2]" 1
1220 1 93 MET QB 1 94 THR H 3.870 . 3.870 3.038 2.576 3.601 . 0 0 "[ . 1 . 2]" 1
1221 1 93 MET HB2 1 94 THR H 4.520 . 4.520 3.785 3.006 4.359 . 0 0 "[ . 1 . 2]" 1
1222 1 93 MET HB3 1 94 THR H 4.520 . 4.520 3.450 2.615 4.398 . 0 0 "[ . 1 . 2]" 1
1223 1 94 THR H 1 94 THR HG1 4.490 . 4.490 3.468 1.973 4.829 0.339 19 0 "[ . 1 . 2]" 1
1224 1 94 THR HA 1 95 ASN H 3.420 . 3.420 2.252 2.139 2.408 . 0 0 "[ . 1 . 2]" 1
1225 1 94 THR HG1 1 95 ASN H 4.480 . 4.480 3.968 2.366 4.955 0.475 14 0 "[ . 1 . 2]" 1
1226 1 95 ASN H 1 95 ASN QB 3.660 . 3.660 2.691 2.318 3.338 . 0 0 "[ . 1 . 2]" 1
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