NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
654865 |
6tpb   |
34464 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6tpb
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 1486
_Distance_constraint_stats_list.Viol_count 3776
_Distance_constraint_stats_list.Viol_total 26269.750
_Distance_constraint_stats_list.Viol_max 2.134
_Distance_constraint_stats_list.Viol_rms 0.1764
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0442
_Distance_constraint_stats_list.Viol_average_violations_only 0.3479
_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 HIS 18.990 1.398 11 12 "[*** - ***+ *.* **]"
1 2 ALA 25.516 0.766 16 11 "[ * *.** -* ***.+* 2]"
1 3 HIS 0.319 0.104 6 0 "[ . 1 . 2]"
1 4 LEU 21.933 0.967 6 7 "[ * *+ *1 - **2]"
1 5 LYS 22.197 1.561 14 7 "[** . * 1 +- **]"
1 6 SER 9.287 0.586 6 2 "[ .+ 1 - 2]"
1 7 ALA 98.712 1.826 6 20 [*-***+**************]
1 8 THR 102.819 1.715 14 20 [***********-*+******]
1 9 PRO 239.396 1.621 5 20 [****+***********-***]
1 10 ALA 76.611 1.715 14 20 [*************+*****-]
1 11 ALA 39.961 0.761 17 13 "[** .** *** *-*+**2]"
1 12 ASP 1.755 0.498 17 0 "[ . 1 . 2]"
1 13 SER 15.518 0.490 8 0 "[ . 1 . 2]"
1 14 THR 36.962 1.461 16 20 [***************+****]
1 15 VAL 24.884 1.195 20 8 "[ ** * *1 - *.* +]"
1 16 ALA 46.733 1.031 13 20 [************+****-**]
1 17 ALA 30.824 1.111 2 12 "[ +**- * ** ** .* **2]"
1 18 PRO 4.201 0.280 20 0 "[ . 1 . 2]"
1 19 ALA 3.504 0.245 12 0 "[ . 1 . 2]"
1 20 ASP 0.328 0.059 5 0 "[ . 1 . 2]"
1 21 LEU 110.886 1.503 4 20 [-**+****************]
1 22 ARG 51.532 1.131 20 20 [****************-**+]
1 23 LEU 51.095 1.826 6 16 "[* ***+* ** **** -***]"
1 24 THR 20.831 0.978 17 6 "[* .* ** - + 2]"
1 25 PHE 17.982 1.219 20 7 "[** * -1 . **+]"
1 26 SER 15.690 1.561 14 6 "[*- . * 1 +. **]"
1 27 GLU 8.723 0.766 16 4 "[ * . -1 * .+ 2]"
1 28 GLY 0.065 0.040 4 0 "[ . 1 . 2]"
1 29 VAL 28.762 0.673 4 8 "[ +.*- * ***. * 2]"
1 30 GLU 30.086 1.058 17 10 "[-* ** * * * +* *]"
1 31 ALA 11.670 0.460 15 0 "[ . 1 . 2]"
1 32 THR 2.976 0.828 2 2 "[ + . * . 2]"
1 33 PHE 11.938 1.058 17 5 "[ - . * * * + 2]"
1 34 THR 46.710 1.352 15 18 "[ *-***********+*** *]"
1 35 LYS 9.493 1.134 15 3 "[ . -1 + * 2]"
1 36 VAL 11.799 0.676 14 10 "[ -* ** *1 * +** *]"
1 37 SER 3.814 0.800 2 3 "[ + . *1 -. 2]"
1 38 LEU 25.448 1.005 8 8 "[* - +*1 * *.** 2]"
1 39 SER 7.488 0.374 13 0 "[ . 1 . 2]"
1 40 LYS 110.343 1.782 16 20 [*-*************+****]
1 41 ASP 40.005 1.675 4 20 [***+****************]
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 93.646 1.675 4 20 [***+****************]
1 44 GLU 11.921 0.539 20 1 "[ . 1 . +]"
1 45 VAL 90.427 2.121 20 20 [***-***************+]
1 46 ALA 42.529 2.134 6 18 "[* ***+ *-***********]"
1 47 ILE 59.957 1.577 5 13 "[ **-+* **1* *** * *]"
1 48 LYS 20.463 1.251 11 11 "[ * ** **-+ *** * 2]"
1 49 GLY 5.915 0.494 1 0 "[ . 1 . 2]"
1 50 LEU 14.904 0.329 1 0 "[ . 1 . 2]"
1 51 GLU 4.865 0.329 19 0 "[ . 1 . 2]"
1 52 THR 9.425 0.746 1 2 "[+ . - 1 . 2]"
1 53 PRO 5.551 0.528 15 1 "[ . 1 + 2]"
1 54 ASP 0.427 0.179 15 0 "[ . 1 . 2]"
1 55 ALA 0.040 0.027 10 0 "[ . 1 . 2]"
1 56 ASP 0.814 0.306 14 0 "[ . 1 . 2]"
1 57 LYS 3.707 0.746 1 2 "[+ . - 1 . 2]"
1 58 LYS 1.320 0.306 14 0 "[ . 1 . 2]"
1 59 THR 14.874 0.978 17 6 "[* . ** ** + 2]"
1 60 LEU 4.102 0.395 4 0 "[ . 1 . 2]"
1 61 VAL 2.179 0.261 5 0 "[ . 1 . 2]"
1 62 VAL 19.239 0.993 11 20 [**********+*****-***]
1 63 THR 15.113 1.251 11 11 "[ * -* ***+ *** * 2]"
1 64 PRO 25.799 1.081 20 11 "[ **-* * ** .* **+]"
1 65 ALA 23.068 0.760 15 4 "[ * . * -+ 2]"
1 66 ALA 87.077 2.134 6 20 [*****+**-***********]
1 67 PRO 22.435 1.111 2 8 "[ +**- * *1 * . * 2]"
1 68 LEU 103.484 1.782 16 20 [************-**+****]
1 69 ALA 7.187 0.744 6 4 "[ - *.+ 1 .* 2]"
1 70 ALA 5.672 0.280 12 0 "[ . 1 . 2]"
1 71 GLY 1.719 0.157 12 0 "[ . 1 . 2]"
1 72 ASN 13.941 1.201 16 8 "[** -.* 1 * *+ * 2]"
1 73 TYR 2.376 0.406 4 0 "[ . 1 . 2]"
1 74 LYS 28.407 1.264 7 17 "[* **.*+****** -*****]"
1 75 VAL 0.378 0.201 18 0 "[ . 1 . 2]"
1 76 VAL 15.344 1.264 7 11 "[- * .*+*** ** . ** 2]"
1 77 TRP 46.958 1.094 9 17 "[*-**** *+1******* **]"
1 78 ASN 7.036 0.907 15 2 "[ . 1 + - 2]"
1 79 ALA 3.811 0.405 14 0 "[ . 1 . 2]"
1 80 VAL 62.450 1.352 15 18 "[* -***********+*** *]"
1 81 SER 2.372 0.266 4 0 "[ . 1 . 2]"
1 82 VAL 5.960 0.485 12 0 "[ . 1 . 2]"
1 83 ASP 8.435 0.495 9 0 "[ . 1 . 2]"
1 84 THR 8.738 0.495 9 0 "[ . 1 . 2]"
1 85 HIS 20.388 1.398 11 12 "[*** - ***+ *.* **]"
1 86 LYS 10.641 0.705 2 6 "[ + *. * *1 - *. 2]"
1 87 SER 14.010 0.705 2 6 "[ + *. * *1 - *. 2]"
1 88 ASN 1.766 0.343 5 0 "[ . 1 . 2]"
1 89 GLY 5.094 0.337 1 0 "[ . 1 . 2]"
1 90 GLU 14.981 1.103 8 9 "[ *. + 1* -*****]"
1 91 TYR 58.377 1.502 20 20 [**************-****+]
1 92 SER 1.543 0.444 18 0 "[ . 1 . 2]"
1 93 PHE 23.231 0.743 10 11 "[** .** +** -* **2]"
1 94 LYS 17.182 0.501 12 1 "[ . 1 + . 2]"
1 95 VAL 46.605 1.128 16 20 [-**************+****]
1 96 GLY 35.910 1.342 16 20 [***************+*-**]
1 97 GLN 14.240 1.461 16 2 "[ . 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 HIS HA 1 1 HIS HD2 . . 5.160 3.428 2.388 4.618 . 0 0 "[ . 1 . 2]" 1
2 1 1 HIS HA 1 2 ALA HA . . 4.800 4.357 4.249 4.748 . 0 0 "[ . 1 . 2]" 1
3 1 1 HIS HA 1 85 HIS QB . . 3.430 3.687 2.721 4.746 1.316 2 8 "[*+ * * - *.* *]" 1
4 1 1 HIS QB 1 2 ALA HA . . 5.340 4.477 4.316 4.729 . 0 0 "[ . 1 . 2]" 1
5 1 1 HIS HD2 1 85 HIS HA . . 4.400 4.984 4.288 5.798 1.398 11 10 "[ ** - ***+ *. **]" 1
6 1 1 HIS HD2 1 85 HIS QB . . 3.890 2.754 1.965 3.701 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 3 HIS H . . 2.770 2.181 2.126 2.278 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA HA 1 3 HIS HA . . 4.600 4.452 4.392 4.529 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA HA 1 3 HIS QB . . 4.880 4.496 4.393 4.581 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA HA 1 3 HIS HD2 . . 4.830 4.585 3.715 4.920 0.090 14 0 "[ . 1 . 2]" 1
11 1 2 ALA HA 1 25 PHE QD . . 4.950 4.509 4.039 4.928 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA HA 1 26 SER H . . 4.680 3.992 3.405 4.911 0.231 2 0 "[ . 1 . 2]" 1
13 1 2 ALA HA 1 27 GLU H . . 4.340 3.086 2.319 4.103 . 0 0 "[ . 1 . 2]" 1
14 1 2 ALA HA 1 27 GLU HA . . 5.490 4.988 4.593 5.976 0.486 16 0 "[ . 1 . 2]" 1
15 1 2 ALA HA 1 27 GLU QB . . 3.840 2.363 2.112 3.163 . 0 0 "[ . 1 . 2]" 1
16 1 2 ALA HA 1 27 GLU QG . . 3.840 3.968 3.195 4.606 0.766 16 3 "[ . -1 * .+ 2]" 1
17 1 2 ALA HA 1 29 VAL QG . . 4.500 4.325 3.868 4.837 0.337 16 0 "[ . 1 . 2]" 1
18 1 2 ALA MB 1 3 HIS H . . 3.640 3.305 2.863 3.442 . 0 0 "[ . 1 . 2]" 1
19 1 2 ALA MB 1 3 HIS HA . . 5.250 4.130 4.042 4.253 . 0 0 "[ . 1 . 2]" 1
20 1 2 ALA MB 1 4 LEU HA . . 5.500 5.604 5.299 5.805 0.305 10 0 "[ . 1 . 2]" 1
21 1 2 ALA MB 1 25 PHE QB . . 3.510 2.604 2.042 3.046 . 0 0 "[ . 1 . 2]" 1
22 1 2 ALA MB 1 25 PHE QD . . 3.690 3.264 2.716 3.591 . 0 0 "[ . 1 . 2]" 1
23 1 2 ALA MB 1 26 SER H . . 4.650 4.377 3.605 5.201 0.551 2 1 "[ + . 1 . 2]" 1
24 1 2 ALA MB 1 27 GLU H . . 3.750 3.466 2.794 4.266 0.516 2 1 "[ + . 1 . 2]" 1
25 1 2 ALA MB 1 27 GLU HA . . 5.080 4.903 4.477 5.567 0.487 2 0 "[ . 1 . 2]" 1
26 1 2 ALA MB 1 27 GLU QB . . 3.680 2.479 2.081 3.140 . 0 0 "[ . 1 . 2]" 1
27 1 2 ALA MB 1 27 GLU QG . . 3.740 3.263 2.675 3.705 . 0 0 "[ . 1 . 2]" 1
28 1 2 ALA MB 1 29 VAL HA . . 3.950 4.304 3.805 4.623 0.673 4 6 "[ +.* * -*. * 2]" 1
29 1 2 ALA MB 1 29 VAL MG1 . . 4.120 2.339 2.036 2.599 . 0 0 "[ . 1 . 2]" 1
30 1 2 ALA MB 1 29 VAL MG2 . . 4.120 4.411 4.024 4.716 0.596 14 3 "[ . - * +. 2]" 1
31 1 2 ALA MB 1 79 ALA MB . . 3.280 3.159 2.649 3.685 0.405 14 0 "[ . 1 . 2]" 1
32 1 2 ALA MB 1 81 SER HA . . 4.210 3.418 2.795 3.821 . 0 0 "[ . 1 . 2]" 1
33 1 2 ALA MB 1 81 SER QB . . 3.880 2.653 2.105 3.659 . 0 0 "[ . 1 . 2]" 1
34 1 3 HIS H 1 3 HIS QB . . 3.470 2.643 2.493 2.723 . 0 0 "[ . 1 . 2]" 1
35 1 3 HIS H 1 3 HIS HD2 . . 4.690 3.680 3.225 3.912 . 0 0 "[ . 1 . 2]" 1
36 1 3 HIS H 1 25 PHE QB . . 4.550 3.349 2.967 3.810 . 0 0 "[ . 1 . 2]" 1
37 1 3 HIS H 1 25 PHE QD . . 4.660 3.732 3.414 4.008 . 0 0 "[ . 1 . 2]" 1
38 1 3 HIS H 1 26 SER QB . . 4.240 3.386 2.427 4.099 . 0 0 "[ . 1 . 2]" 1
39 1 3 HIS H 1 27 GLU QB . . 4.960 3.938 3.539 4.482 . 0 0 "[ . 1 . 2]" 1
40 1 3 HIS HA 1 3 HIS HD2 . . 4.940 4.229 2.312 4.630 . 0 0 "[ . 1 . 2]" 1
41 1 3 HIS HA 1 4 LEU H . . 2.930 2.304 2.201 2.402 . 0 0 "[ . 1 . 2]" 1
42 1 3 HIS HA 1 4 LEU HA . . 4.610 4.361 4.247 4.428 . 0 0 "[ . 1 . 2]" 1
43 1 3 HIS HA 1 4 LEU QB . . 4.530 4.072 3.915 4.634 0.104 6 0 "[ . 1 . 2]" 1
44 1 3 HIS HA 1 77 TRP HH2 . . 3.950 3.364 2.775 3.997 0.047 8 0 "[ . 1 . 2]" 1
45 1 3 HIS HA 1 77 TRP HZ2 . . 5.500 4.929 4.053 5.578 0.078 18 0 "[ . 1 . 2]" 1
46 1 3 HIS QB 1 4 LEU H . . 3.670 2.749 2.555 2.877 . 0 0 "[ . 1 . 2]" 1
47 1 3 HIS QB 1 4 LEU HA . . 5.500 4.580 4.470 4.684 . 0 0 "[ . 1 . 2]" 1
48 1 3 HIS QB 1 26 SER H . . 4.950 4.132 3.875 4.614 . 0 0 "[ . 1 . 2]" 1
49 1 4 LEU H 1 25 PHE QD . . 4.610 3.438 3.245 4.012 . 0 0 "[ . 1 . 2]" 1
50 1 4 LEU H 1 77 TRP HH2 . . 4.050 3.695 3.333 4.377 0.327 8 0 "[ . 1 . 2]" 1
51 1 4 LEU H 1 77 TRP HZ2 . . 4.280 4.011 3.537 4.451 0.171 8 0 "[ . 1 . 2]" 1
52 1 4 LEU HA 1 5 LYS H . . 2.940 2.245 2.188 2.301 . 0 0 "[ . 1 . 2]" 1
53 1 4 LEU HA 1 5 LYS HA . . 4.650 4.478 4.429 4.525 . 0 0 "[ . 1 . 2]" 1
54 1 4 LEU HA 1 5 LYS QG . . 5.500 4.180 3.889 5.812 0.312 2 0 "[ . 1 . 2]" 1
55 1 4 LEU HA 1 6 SER H . . 4.180 3.877 3.756 4.050 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU HA 1 23 LEU QB . . 4.800 4.668 4.476 4.906 0.106 6 0 "[ . 1 . 2]" 1
57 1 4 LEU HA 1 25 PHE HA . . 3.340 2.606 2.294 2.819 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU HA 1 25 PHE QB . . 4.810 4.007 3.830 4.261 . 0 0 "[ . 1 . 2]" 1
59 1 4 LEU HA 1 25 PHE QD . . 3.830 2.782 2.566 3.498 . 0 0 "[ . 1 . 2]" 1
60 1 4 LEU HA 1 26 SER H . . 4.950 4.175 3.878 4.541 . 0 0 "[ . 1 . 2]" 1
61 1 4 LEU QB 1 77 TRP HE1 . . 4.570 4.553 4.167 5.537 0.967 6 1 "[ .+ 1 . 2]" 1
62 1 4 LEU QB 1 77 TRP HH2 . . 4.870 3.990 3.492 4.979 0.109 6 0 "[ . 1 . 2]" 1
63 1 4 LEU QB 1 77 TRP HZ2 . . 3.880 3.226 2.953 4.204 0.324 6 0 "[ . 1 . 2]" 1
64 1 4 LEU QD 1 5 LYS H . . 3.550 2.757 2.454 3.406 . 0 0 "[ . 1 . 2]" 1
65 1 4 LEU QD 1 6 SER HA . . 4.950 4.027 3.168 5.077 0.127 6 0 "[ . 1 . 2]" 1
66 1 4 LEU QD 1 7 ALA HA . . 4.180 3.470 3.168 4.021 . 0 0 "[ . 1 . 2]" 1
67 1 4 LEU QD 1 7 ALA MB . . 3.360 2.053 1.913 2.651 . 0 0 "[ . 1 . 2]" 1
68 1 4 LEU QD 1 23 LEU QB . . 3.690 2.407 2.093 3.305 . 0 0 "[ . 1 . 2]" 1
69 1 4 LEU QD 1 23 LEU QD . . 3.140 2.393 1.957 2.789 . 0 0 "[ . 1 . 2]" 1
70 1 4 LEU QD 1 23 LEU HG . . 4.250 3.189 2.690 4.170 . 0 0 "[ . 1 . 2]" 1
71 1 4 LEU QD 1 24 THR H . . 3.370 2.658 2.227 3.776 0.406 18 0 "[ . 1 . 2]" 1
72 1 4 LEU QD 1 25 PHE H . . 5.140 4.824 4.448 5.926 0.786 18 4 "[ * -1 . +*2]" 1
73 1 4 LEU QD 1 25 PHE HA . . 3.960 3.818 3.268 4.819 0.859 19 4 "[ * -1 . *+2]" 1
74 1 4 LEU QD 1 26 SER H . . 5.440 5.460 4.941 6.190 0.750 19 1 "[ . 1 . +2]" 1
75 1 4 LEU QD 1 77 TRP HD1 . . 4.720 4.751 4.225 5.255 0.535 2 1 "[ + . 1 . 2]" 1
76 1 4 LEU QD 1 91 TYR HB3 . . 4.960 4.274 3.671 4.673 . 0 0 "[ . 1 . 2]" 1
77 1 4 LEU QD 1 91 TYR QD . . 3.570 3.523 3.219 3.865 0.295 2 0 "[ . 1 . 2]" 1
78 1 4 LEU QD 1 91 TYR QE . . 3.430 3.510 3.170 3.935 0.505 15 1 "[ . 1 + 2]" 1
79 1 5 LYS H 1 5 LYS QB . . 3.710 2.535 2.397 2.666 . 0 0 "[ . 1 . 2]" 1
80 1 5 LYS H 1 24 THR HB . . 4.660 3.889 3.625 4.113 . 0 0 "[ . 1 . 2]" 1
81 1 5 LYS H 1 24 THR MG . . 4.430 4.128 3.813 4.354 . 0 0 "[ . 1 . 2]" 1
82 1 5 LYS H 1 25 PHE HA . . 3.390 2.818 2.488 3.110 . 0 0 "[ . 1 . 2]" 1
83 1 5 LYS H 1 25 PHE QB . . 4.810 4.845 4.545 5.124 0.314 6 0 "[ . 1 . 2]" 1
84 1 5 LYS H 1 25 PHE QD . . 4.750 4.572 4.307 5.161 0.411 6 0 "[ . 1 . 2]" 1
85 1 5 LYS HA 1 5 LYS QD . . 4.370 3.894 2.025 4.268 . 0 0 "[ . 1 . 2]" 1
86 1 5 LYS HA 1 5 LYS QG . . 3.180 2.511 2.337 2.995 . 0 0 "[ . 1 . 2]" 1
87 1 5 LYS HA 1 6 SER QB . . 4.750 4.672 4.544 5.287 0.537 15 1 "[ . 1 + 2]" 1
88 1 5 LYS QB 1 5 LYS QD . . 3.130 2.291 2.076 2.820 . 0 0 "[ . 1 . 2]" 1
89 1 5 LYS QB 1 6 SER QB . . 4.100 3.301 3.062 3.639 . 0 0 "[ . 1 . 2]" 1
90 1 5 LYS QB 1 24 THR HB . . 4.350 3.666 3.188 4.490 0.140 1 0 "[ . 1 . 2]" 1
91 1 5 LYS QB 1 26 SER H . . 4.610 4.468 2.987 4.884 0.274 15 0 "[ . 1 . 2]" 1
92 1 5 LYS QD 1 26 SER HA . . 3.600 2.954 2.084 5.161 1.561 14 1 "[ . 1 +. 2]" 1
93 1 5 LYS QD 1 26 SER QB . . 4.250 2.549 1.960 3.657 . 0 0 "[ . 1 . 2]" 1
94 1 5 LYS QG 1 6 SER H . . 4.600 4.205 3.905 4.367 . 0 0 "[ . 1 . 2]" 1
95 1 5 LYS QG 1 25 PHE H . . 5.500 5.585 4.930 6.719 1.219 20 3 "[-* . 1 . +]" 1
96 1 5 LYS QG 1 25 PHE HA . . 4.040 3.543 2.926 5.245 1.205 2 2 "[ + . 1 . -]" 1
97 1 5 LYS QG 1 26 SER H . . 3.730 3.166 2.725 4.971 1.241 20 2 "[ - . 1 . +]" 1
98 1 5 LYS QG 1 26 SER HA . . 3.310 3.556 2.535 4.682 1.372 2 5 "[*+ . - 1 . **]" 1
99 1 6 SER H 1 24 THR HB . . 3.410 2.853 2.572 3.102 . 0 0 "[ . 1 . 2]" 1
100 1 6 SER H 1 24 THR MG . . 4.060 4.009 3.650 4.236 0.176 11 0 "[ . 1 . 2]" 1
101 1 6 SER H 1 25 PHE HA . . 4.620 4.554 4.168 4.846 0.226 15 0 "[ . 1 . 2]" 1
102 1 6 SER HA 1 7 ALA H . . 2.720 2.385 2.310 2.477 . 0 0 "[ . 1 . 2]" 1
103 1 6 SER HA 1 7 ALA HA . . 4.870 4.527 4.453 4.576 . 0 0 "[ . 1 . 2]" 1
104 1 6 SER HA 1 7 ALA MB . . 4.000 3.794 3.709 3.858 . 0 0 "[ . 1 . 2]" 1
105 1 6 SER HA 1 24 THR H . . 4.980 5.200 4.961 5.566 0.586 6 1 "[ .+ 1 . 2]" 1
106 1 6 SER HA 1 24 THR HB . . 4.810 4.683 4.263 5.200 0.390 11 0 "[ . 1 . 2]" 1
107 1 6 SER QB 1 7 ALA H . . 3.380 3.270 2.435 3.508 0.128 2 0 "[ . 1 . 2]" 1
108 1 6 SER QB 1 7 ALA MB . . 5.340 4.642 4.322 4.727 . 0 0 "[ . 1 . 2]" 1
109 1 6 SER QB 1 24 THR MG . . 4.120 3.407 2.799 4.436 0.316 7 0 "[ . 1 . 2]" 1
110 1 7 ALA H 1 7 ALA MB . . 3.180 2.750 2.672 2.803 . 0 0 "[ . 1 . 2]" 1
111 1 7 ALA H 1 8 THR H . . 4.460 4.412 4.357 4.465 0.005 11 0 "[ . 1 . 2]" 1
112 1 7 ALA H 1 10 ALA HA . . 5.410 5.632 5.076 6.168 0.758 20 4 "[ . *1 *-. +]" 1
113 1 7 ALA H 1 10 ALA MB . . 4.870 4.299 3.529 5.149 0.279 20 0 "[ . 1 . 2]" 1
114 1 7 ALA H 1 23 LEU QD . . 5.030 6.229 5.073 6.856 1.826 6 16 "[* ***+* ** **** *-**]" 1
115 1 7 ALA H 1 24 THR H . . 4.880 5.065 4.837 5.397 0.517 15 1 "[ . 1 + 2]" 1
116 1 7 ALA HA 1 8 THR H . . 2.890 2.263 2.216 2.322 . 0 0 "[ . 1 . 2]" 1
117 1 7 ALA HA 1 8 THR HA . . 4.610 4.441 4.399 4.483 . 0 0 "[ . 1 . 2]" 1
118 1 7 ALA HA 1 8 THR HB . . 4.760 4.573 4.489 4.671 . 0 0 "[ . 1 . 2]" 1
119 1 7 ALA HA 1 8 THR MG . . 5.500 5.401 5.329 5.450 . 0 0 "[ . 1 . 2]" 1
120 1 7 ALA HA 1 22 ARG HA . . 5.500 5.973 5.679 6.223 0.723 6 10 "[*- .+* 1*** ** *]" 1
121 1 7 ALA HA 1 23 LEU HA . . 3.230 2.704 2.467 2.978 . 0 0 "[ . 1 . 2]" 1
122 1 7 ALA HA 1 23 LEU QB . . 5.500 4.621 4.278 4.890 . 0 0 "[ . 1 . 2]" 1
123 1 7 ALA HA 1 23 LEU QD . . 4.540 4.209 3.088 4.780 0.240 6 0 "[ . 1 . 2]" 1
124 1 7 ALA HA 1 23 LEU HG . . 5.080 4.563 3.899 5.415 0.335 16 0 "[ . 1 . 2]" 1
125 1 7 ALA HA 1 24 THR H . . 3.690 3.321 3.078 3.620 . 0 0 "[ . 1 . 2]" 1
126 1 7 ALA MB 1 8 THR H . . 3.170 2.329 2.248 2.416 . 0 0 "[ . 1 . 2]" 1
127 1 7 ALA MB 1 8 THR HA . . 4.450 4.234 4.187 4.284 . 0 0 "[ . 1 . 2]" 1
128 1 7 ALA MB 1 9 PRO QD . . 5.500 5.178 5.100 5.292 . 0 0 "[ . 1 . 2]" 1
129 1 7 ALA MB 1 9 PRO QG . . 4.240 5.726 5.549 5.861 1.621 5 20 [****+***********-***] 1
130 1 7 ALA MB 1 10 ALA H . . 4.410 4.145 3.867 4.534 0.124 18 0 "[ . 1 . 2]" 1
131 1 7 ALA MB 1 10 ALA HA . . 3.530 2.971 2.669 3.306 . 0 0 "[ . 1 . 2]" 1
132 1 7 ALA MB 1 10 ALA MB . . 4.300 3.103 2.485 3.607 . 0 0 "[ . 1 . 2]" 1
133 1 7 ALA MB 1 22 ARG H . . 4.920 5.155 4.688 5.720 0.800 20 2 "[ .- 1 . +]" 1
134 1 7 ALA MB 1 23 LEU HA . . 3.410 3.211 3.074 3.511 0.101 1 0 "[ . 1 . 2]" 1
135 1 7 ALA MB 1 23 LEU HG . . 3.920 3.510 3.019 4.412 0.492 16 0 "[ . 1 . 2]" 1
136 1 7 ALA MB 1 24 THR H . . 4.270 3.794 3.499 3.995 . 0 0 "[ . 1 . 2]" 1
137 1 7 ALA MB 1 77 TRP HE1 . . 5.500 6.223 5.762 6.594 1.094 9 17 "[****** *+1*-***** **]" 1
138 1 7 ALA MB 1 91 TYR QE . . 4.180 4.172 3.726 4.581 0.401 14 0 "[ . 1 . 2]" 1
139 1 8 THR H 1 8 THR HB . . 3.430 2.382 2.299 2.455 . 0 0 "[ . 1 . 2]" 1
140 1 8 THR H 1 8 THR MG . . 3.750 3.720 3.664 3.753 0.003 18 0 "[ . 1 . 2]" 1
141 1 8 THR H 1 9 PRO HA . . 5.500 5.900 5.696 6.018 0.518 19 2 "[ . 1 - . +2]" 1
142 1 8 THR H 1 22 ARG QB . . 4.040 4.096 3.481 4.575 0.535 20 1 "[ . 1 . +]" 1
143 1 8 THR H 1 23 LEU HA . . 4.250 3.591 3.422 3.917 . 0 0 "[ . 1 . 2]" 1
144 1 8 THR H 1 23 LEU QD . . 4.290 3.776 3.018 4.153 . 0 0 "[ . 1 . 2]" 1
145 1 8 THR HA 1 8 THR MG . . 3.160 2.436 2.372 2.502 . 0 0 "[ . 1 . 2]" 1
146 1 8 THR HA 1 10 ALA H . . 4.180 4.775 4.345 5.386 1.206 20 8 "[ *** *1 **. - +]" 1
147 1 8 THR HA 1 10 ALA MB . . 4.810 5.303 4.738 6.061 1.251 20 8 "[ *** *1 **. - +]" 1
148 1 8 THR HB 1 9 PRO HA . . 4.920 5.743 5.668 5.824 0.904 3 20 [**+****************-] 1
149 1 8 THR HB 1 22 ARG H . . 4.090 1.987 1.649 2.835 . 0 0 "[ . 1 . 2]" 1
150 1 8 THR HB 1 22 ARG QB . . 4.020 3.858 3.449 4.417 0.397 20 0 "[ . 1 . 2]" 1
151 1 8 THR MG 1 9 PRO HA . . 3.330 4.561 4.516 4.608 1.278 6 20 [*****+********-*****] 1
152 1 8 THR MG 1 9 PRO QB . . 4.260 3.857 3.667 3.963 . 0 0 "[ . 1 . 2]" 1
153 1 8 THR MG 1 9 PRO QD . . 4.540 1.888 1.829 1.933 . 0 0 "[ . 1 . 2]" 1
154 1 8 THR MG 1 10 ALA H . . 4.090 5.539 5.302 5.805 1.715 14 20 [*************+**-***] 1
155 1 8 THR MG 1 18 PRO QB . . 4.680 2.822 2.462 3.109 . 0 0 "[ . 1 . 2]" 1
156 1 8 THR MG 1 22 ARG H . . 4.280 2.444 2.240 2.810 . 0 0 "[ . 1 . 2]" 1
157 1 8 THR MG 1 22 ARG QB . . 5.120 3.627 3.309 3.953 . 0 0 "[ . 1 . 2]" 1
158 1 8 THR MG 1 22 ARG QD . . 5.340 4.348 2.957 4.804 . 0 0 "[ . 1 . 2]" 1
159 1 9 PRO HA 1 10 ALA H . . 2.810 2.079 1.853 2.251 . 0 0 "[ . 1 . 2]" 1
160 1 9 PRO HA 1 10 ALA HA . . 4.820 4.416 4.238 4.526 . 0 0 "[ . 1 . 2]" 1
161 1 9 PRO HA 1 10 ALA MB . . 4.290 3.859 3.653 4.021 . 0 0 "[ . 1 . 2]" 1
162 1 9 PRO HA 1 13 SER QB . . 4.420 3.374 2.716 3.827 . 0 0 "[ . 1 . 2]" 1
163 1 9 PRO HA 1 15 VAL HB . . 4.900 5.344 4.868 6.095 1.195 20 6 "[ -* * *1 *. +]" 1
164 1 9 PRO HA 1 15 VAL QG . . 3.620 2.857 2.481 3.536 . 0 0 "[ . 1 . 2]" 1
165 1 9 PRO QB 1 15 VAL QG . . 3.320 2.101 1.942 2.513 . 0 0 "[ . 1 . 2]" 1
166 1 9 PRO QB 1 91 TYR QE . . 3.370 4.012 3.357 4.872 1.502 20 10 "[* *** **1* -*. +]" 1
167 1 9 PRO QB 1 93 PHE QB . . 4.750 3.245 3.004 3.564 . 0 0 "[ . 1 . 2]" 1
168 1 9 PRO QB 1 93 PHE QD . . 4.730 3.332 2.895 4.111 . 0 0 "[ . 1 . 2]" 1
169 1 9 PRO QD 1 10 ALA H . . 5.110 3.716 3.546 4.024 . 0 0 "[ . 1 . 2]" 1
170 1 9 PRO QD 1 18 PRO QB . . 4.920 3.764 3.329 4.198 . 0 0 "[ . 1 . 2]" 1
171 1 9 PRO QD 1 18 PRO QG . . 4.600 4.276 3.647 4.880 0.280 20 0 "[ . 1 . 2]" 1
172 1 9 PRO QD 1 21 LEU HA . . 3.790 4.892 4.614 5.279 1.489 20 20 [******-************+] 1
173 1 9 PRO QD 1 21 LEU QB . . 4.280 5.513 5.231 5.778 1.498 4 20 [*-*+****************] 1
174 1 9 PRO QD 1 21 LEU QD . . 3.760 5.042 4.757 5.263 1.503 4 20 [**-+****************] 1
175 1 9 PRO QD 1 21 LEU HG . . 4.800 5.060 4.758 5.306 0.506 4 3 "[- +. 1 . *]" 1
176 1 9 PRO QD 1 22 ARG H . . 4.170 5.064 4.843 5.301 1.131 20 20 [******-************+] 1
177 1 9 PRO QD 1 22 ARG QB . . 5.340 5.996 5.819 6.200 0.860 18 19 "[ ***************-+**]" 1
178 1 9 PRO QD 1 91 TYR QE . . 5.500 6.372 5.901 6.885 1.385 3 19 "[**+*************- **]" 1
179 1 9 PRO QG 1 10 ALA H . . 4.960 4.845 4.794 4.921 . 0 0 "[ . 1 . 2]" 1
180 1 9 PRO QG 1 18 PRO QB . . 5.310 2.891 2.559 3.330 . 0 0 "[ . 1 . 2]" 1
181 1 9 PRO QG 1 18 PRO QG . . 4.590 2.598 2.241 3.456 . 0 0 "[ . 1 . 2]" 1
182 1 9 PRO QG 1 21 LEU QB . . 3.980 4.560 3.972 5.315 1.335 20 10 "[* -** **1 *** +]" 1
183 1 9 PRO QG 1 21 LEU QD . . 4.180 3.795 3.392 4.274 0.094 20 0 "[ . 1 . 2]" 1
184 1 9 PRO QG 1 21 LEU HG . . 4.510 3.386 2.874 4.266 . 0 0 "[ . 1 . 2]" 1
185 1 9 PRO QG 1 93 PHE QD . . 5.350 4.797 4.416 5.263 . 0 0 "[ . 1 . 2]" 1
186 1 9 PRO QG 1 93 PHE QE . . 5.130 4.662 4.058 5.517 0.387 20 0 "[ . 1 . 2]" 1
187 1 10 ALA H 1 10 ALA MB . . 2.760 2.157 2.106 2.221 . 0 0 "[ . 1 . 2]" 1
188 1 10 ALA H 1 11 ALA H . . 4.750 4.592 4.540 4.626 . 0 0 "[ . 1 . 2]" 1
189 1 10 ALA H 1 13 SER QB . . 4.060 3.431 3.191 3.960 . 0 0 "[ . 1 . 2]" 1
190 1 10 ALA H 1 15 VAL QG . . 4.130 4.204 3.818 4.661 0.531 20 1 "[ . 1 . +]" 1
191 1 10 ALA HA 1 11 ALA H . . 2.750 2.417 2.343 2.504 . 0 0 "[ . 1 . 2]" 1
192 1 10 ALA HA 1 23 LEU QD . . 5.440 6.129 4.691 6.855 1.415 6 16 "[* -**+* ** **** ****]" 1
193 1 10 ALA MB 1 11 ALA H . . 3.370 2.341 2.255 2.488 . 0 0 "[ . 1 . 2]" 1
194 1 10 ALA MB 1 13 SER H . . 4.840 4.261 4.039 4.586 . 0 0 "[ . 1 . 2]" 1
195 1 10 ALA MB 1 13 SER HA . . 5.070 5.043 4.704 5.440 0.370 8 0 "[ . 1 . 2]" 1
196 1 11 ALA H 1 11 ALA MB . . 2.640 2.199 2.147 2.265 . 0 0 "[ . 1 . 2]" 1
197 1 11 ALA H 1 91 TYR QD . . 4.420 4.237 3.962 4.550 0.130 14 0 "[ . 1 . 2]" 1
198 1 11 ALA H 1 91 TYR QE . . 5.190 5.432 5.036 5.810 0.620 14 3 "[ . 1 +.* - 2]" 1
199 1 11 ALA HA 1 12 ASP H . . 2.870 2.132 2.087 2.185 . 0 0 "[ . 1 . 2]" 1
200 1 11 ALA HA 1 13 SER H . . 4.210 3.433 3.310 3.543 . 0 0 "[ . 1 . 2]" 1
201 1 11 ALA HA 1 13 SER QB . . 4.770 5.005 4.726 5.260 0.490 8 0 "[ . 1 . 2]" 1
202 1 11 ALA HA 1 91 TYR HA . . 5.500 5.138 4.868 5.430 . 0 0 "[ . 1 . 2]" 1
203 1 11 ALA HA 1 91 TYR HB2 . . 4.150 3.323 3.157 3.712 . 0 0 "[ . 1 . 2]" 1
204 1 11 ALA HA 1 91 TYR HB3 . . 5.500 4.999 4.814 5.413 . 0 0 "[ . 1 . 2]" 1
205 1 11 ALA HA 1 91 TYR QD . . 3.140 3.271 3.021 3.702 0.562 17 1 "[ . 1 . + 2]" 1
206 1 11 ALA HA 1 91 TYR QE . . 4.810 5.127 4.671 5.571 0.761 17 5 "[ . 1- .*+**2]" 1
207 1 11 ALA HA 1 92 SER H . . 4.730 3.368 3.122 3.684 . 0 0 "[ . 1 . 2]" 1
208 1 11 ALA HA 1 93 PHE HA . . 4.210 3.921 3.652 4.164 . 0 0 "[ . 1 . 2]" 1
209 1 11 ALA HA 1 93 PHE QB . . 4.030 3.243 3.129 3.388 . 0 0 "[ . 1 . 2]" 1
210 1 11 ALA HA 1 93 PHE QD . . 4.700 4.798 4.504 4.993 0.293 13 0 "[ . 1 . 2]" 1
211 1 11 ALA MB 1 12 ASP H . . 3.330 2.791 2.678 2.926 . 0 0 "[ . 1 . 2]" 1
212 1 11 ALA MB 1 12 ASP HA . . 4.350 4.373 4.289 4.455 0.105 7 0 "[ . 1 . 2]" 1
213 1 11 ALA MB 1 12 ASP QB . . 4.100 3.486 3.168 3.877 . 0 0 "[ . 1 . 2]" 1
214 1 11 ALA MB 1 13 SER H . . 5.280 4.385 4.332 4.488 . 0 0 "[ . 1 . 2]" 1
215 1 11 ALA MB 1 91 TYR HA . . 3.850 3.745 3.488 3.981 0.131 9 0 "[ . 1 . 2]" 1
216 1 11 ALA MB 1 91 TYR HB2 . . 3.470 2.365 2.159 2.633 . 0 0 "[ . 1 . 2]" 1
217 1 11 ALA MB 1 91 TYR HB3 . . 3.780 3.380 3.149 3.785 0.005 17 0 "[ . 1 . 2]" 1
218 1 11 ALA MB 1 91 TYR QD . . 3.380 3.680 3.387 3.952 0.572 16 3 "[ . 1 .+*- 2]" 1
219 1 11 ALA MB 1 91 TYR QE . . 5.500 5.352 5.003 5.693 0.193 16 0 "[ . 1 . 2]" 1
220 1 11 ALA MB 1 92 SER H . . 3.720 2.998 2.688 3.304 . 0 0 "[ . 1 . 2]" 1
221 1 11 ALA MB 1 93 PHE HA . . 4.530 5.051 4.839 5.273 0.743 10 11 "[** .** +** -* **2]" 1
222 1 11 ALA MB 1 93 PHE QB . . 5.180 4.598 4.502 4.757 . 0 0 "[ . 1 . 2]" 1
223 1 12 ASP H 1 12 ASP HA . . 2.920 2.253 2.217 2.282 . 0 0 "[ . 1 . 2]" 1
224 1 12 ASP H 1 91 TYR QD . . 5.000 4.917 4.604 5.498 0.498 17 0 "[ . 1 . 2]" 1
225 1 12 ASP H 1 93 PHE HA . . 3.720 2.942 2.716 3.141 . 0 0 "[ . 1 . 2]" 1
226 1 12 ASP H 1 93 PHE QB . . 4.280 3.633 3.383 3.932 . 0 0 "[ . 1 . 2]" 1
227 1 12 ASP HA 1 93 PHE HA . . 3.730 3.362 3.112 3.846 0.116 17 0 "[ . 1 . 2]" 1
228 1 12 ASP HA 1 93 PHE QB . . 5.500 4.620 4.390 5.024 . 0 0 "[ . 1 . 2]" 1
229 1 12 ASP QB 1 13 SER H . . 4.230 3.684 3.620 3.773 . 0 0 "[ . 1 . 2]" 1
230 1 13 SER H 1 15 VAL QG . . 5.160 4.713 4.422 4.945 . 0 0 "[ . 1 . 2]" 1
231 1 13 SER H 1 93 PHE HA . . 3.930 3.312 3.159 3.593 . 0 0 "[ . 1 . 2]" 1
232 1 13 SER H 1 93 PHE QB . . 3.890 3.111 2.944 3.268 . 0 0 "[ . 1 . 2]" 1
233 1 13 SER H 1 93 PHE QD . . 4.930 5.220 5.076 5.361 0.431 17 0 "[ . 1 . 2]" 1
234 1 13 SER HA 1 14 THR H . . 2.990 2.353 2.284 2.426 . 0 0 "[ . 1 . 2]" 1
235 1 13 SER HA 1 14 THR HB . . 5.500 4.870 4.746 5.808 0.308 16 0 "[ . 1 . 2]" 1
236 1 13 SER HA 1 14 THR MG . . 5.350 5.451 3.744 5.639 0.289 15 0 "[ . 1 . 2]" 1
237 1 13 SER HA 1 15 VAL QG . . 5.050 4.194 4.011 4.455 . 0 0 "[ . 1 . 2]" 1
238 1 13 SER QB 1 14 THR H . . 3.160 2.665 2.452 2.778 . 0 0 "[ . 1 . 2]" 1
239 1 14 THR H 1 14 THR HB . . 3.550 2.782 2.663 3.743 0.193 16 0 "[ . 1 . 2]" 1
240 1 14 THR H 1 14 THR MG . . 4.050 3.858 2.829 3.950 . 0 0 "[ . 1 . 2]" 1
241 1 14 THR H 1 15 VAL QG . . 3.980 3.295 3.091 3.423 . 0 0 "[ . 1 . 2]" 1
242 1 14 THR HA 1 14 THR MG . . 3.040 2.334 2.267 2.399 . 0 0 "[ . 1 . 2]" 1
243 1 14 THR HA 1 15 VAL H . . 2.770 2.229 2.151 2.276 . 0 0 "[ . 1 . 2]" 1
244 1 14 THR HA 1 15 VAL HA . . 4.590 4.477 4.426 4.517 . 0 0 "[ . 1 . 2]" 1
245 1 14 THR HA 1 15 VAL QG . . 4.020 3.304 3.140 3.407 . 0 0 "[ . 1 . 2]" 1
246 1 14 THR HA 1 94 LYS H . . 3.900 3.198 2.994 3.414 . 0 0 "[ . 1 . 2]" 1
247 1 14 THR HA 1 94 LYS QB . . 3.240 2.933 2.525 3.677 0.437 12 0 "[ . 1 . 2]" 1
248 1 14 THR HB 1 15 VAL H . . 4.370 4.321 3.397 4.414 0.044 12 0 "[ . 1 . 2]" 1
249 1 14 THR HB 1 94 LYS QB . . 5.500 4.755 4.303 5.136 . 0 0 "[ . 1 . 2]" 1
250 1 14 THR HB 1 96 GLY H . . 4.820 5.645 4.068 6.006 1.186 15 19 "[*******-******+ ****]" 1
251 1 14 THR MG 1 15 VAL H . . 3.210 3.132 2.974 4.024 0.814 16 1 "[ . 1 .+ 2]" 1
252 1 14 THR MG 1 15 VAL HA . . 4.740 4.009 3.787 5.578 0.838 16 1 "[ . 1 .+ 2]" 1
253 1 14 THR MG 1 94 LYS H . . 4.910 4.488 3.956 4.848 . 0 0 "[ . 1 . 2]" 1
254 1 14 THR MG 1 94 LYS HA . . 5.260 4.950 4.628 5.298 0.038 5 0 "[ . 1 . 2]" 1
255 1 14 THR MG 1 94 LYS QB . . 3.270 2.917 2.389 3.315 0.045 5 0 "[ . 1 . 2]" 1
256 1 14 THR MG 1 94 LYS QD . . 3.650 3.060 2.449 3.682 0.032 12 0 "[ . 1 . 2]" 1
257 1 14 THR MG 1 94 LYS QE . . 4.430 3.998 3.528 4.517 0.087 12 0 "[ . 1 . 2]" 1
258 1 14 THR MG 1 94 LYS HG3 . . 4.960 4.600 4.184 5.036 0.076 19 0 "[ . 1 . 2]" 1
259 1 14 THR MG 1 95 VAL H . . 4.600 4.806 4.450 5.583 0.983 16 1 "[ . 1 .+ 2]" 1
260 1 14 THR MG 1 95 VAL HA . . 4.120 4.022 3.671 5.248 1.128 16 1 "[ . 1 .+ 2]" 1
261 1 14 THR MG 1 95 VAL QG . . 5.370 4.512 4.286 5.499 0.129 16 0 "[ . 1 . 2]" 1
262 1 14 THR MG 1 96 GLY H . . 3.540 3.262 2.897 4.882 1.342 16 1 "[ . 1 .+ 2]" 1
263 1 14 THR MG 1 96 GLY QA . . 3.380 2.562 2.146 4.001 0.621 16 1 "[ . 1 .+ 2]" 1
264 1 14 THR MG 1 97 GLN H . . 4.860 4.816 3.824 6.060 1.200 16 1 "[ . 1 .+ 2]" 1
265 1 14 THR MG 1 97 GLN HA . . 5.500 5.181 4.450 6.961 1.461 16 1 "[ . 1 .+ 2]" 1
266 1 15 VAL H 1 15 VAL HB . . 4.170 3.817 3.746 3.882 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL H 1 15 VAL QG . . 2.930 2.127 1.967 2.227 . 0 0 "[ . 1 . 2]" 1
268 1 15 VAL H 1 16 ALA MB . . 5.470 5.690 5.613 5.758 0.288 6 0 "[ . 1 . 2]" 1
269 1 15 VAL H 1 94 LYS QB . . 4.700 4.470 4.152 5.201 0.501 12 1 "[ . 1 + . 2]" 1
270 1 15 VAL H 1 95 VAL HA . . 3.420 2.854 2.687 3.109 . 0 0 "[ . 1 . 2]" 1
271 1 15 VAL HA 1 15 VAL HB . . 2.840 2.498 2.467 2.534 . 0 0 "[ . 1 . 2]" 1
272 1 15 VAL HA 1 15 VAL QG . . 2.770 2.304 2.251 2.359 . 0 0 "[ . 1 . 2]" 1
273 1 15 VAL HA 1 16 ALA H . . 2.830 2.408 2.321 2.493 . 0 0 "[ . 1 . 2]" 1
274 1 15 VAL HA 1 16 ALA HA . . 4.510 4.466 4.403 4.537 0.027 1 0 "[ . 1 . 2]" 1
275 1 15 VAL HA 1 16 ALA MB . . 3.930 4.157 4.064 4.220 0.290 12 0 "[ . 1 . 2]" 1
276 1 15 VAL HA 1 96 GLY QA . . 5.500 5.458 5.028 5.891 0.391 13 0 "[ . 1 . 2]" 1
277 1 15 VAL HB 1 16 ALA H . . 3.220 2.445 2.362 2.534 . 0 0 "[ . 1 . 2]" 1
278 1 15 VAL HB 1 16 ALA HA . . 5.060 4.723 4.605 4.838 . 0 0 "[ . 1 . 2]" 1
279 1 15 VAL HB 1 16 ALA MB . . 4.910 3.920 3.795 3.996 . 0 0 "[ . 1 . 2]" 1
280 1 15 VAL QG 1 16 ALA H . . 3.930 3.214 3.163 3.265 . 0 0 "[ . 1 . 2]" 1
281 1 15 VAL QG 1 16 ALA MB . . 4.940 4.037 3.946 4.095 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL QG 1 18 PRO QB . . 4.310 3.917 3.622 4.288 . 0 0 "[ . 1 . 2]" 1
283 1 15 VAL QG 1 18 PRO QG . . 4.000 3.822 3.466 4.268 0.268 18 0 "[ . 1 . 2]" 1
284 1 15 VAL QG 1 93 PHE QB . . 4.240 3.525 3.257 3.948 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL QG 1 93 PHE QD . . 3.720 2.864 2.425 3.660 . 0 0 "[ . 1 . 2]" 1
286 1 15 VAL QG 1 93 PHE QE . . 4.110 3.437 2.923 4.169 0.059 12 0 "[ . 1 . 2]" 1
287 1 15 VAL QG 1 94 LYS H . . 4.940 4.055 3.633 4.732 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL QG 1 95 VAL HA . . 3.570 2.998 2.511 3.585 0.015 12 0 "[ . 1 . 2]" 1
289 1 15 VAL QG 1 96 GLY H . . 4.740 3.760 3.544 3.975 . 0 0 "[ . 1 . 2]" 1
290 1 16 ALA H 1 16 ALA MB . . 2.780 2.217 2.181 2.265 . 0 0 "[ . 1 . 2]" 1
291 1 16 ALA H 1 97 GLN HA . . 4.700 3.873 2.646 4.751 0.051 19 0 "[ . 1 . 2]" 1
292 1 16 ALA HA 1 17 ALA H . . 2.870 2.471 2.333 2.587 . 0 0 "[ . 1 . 2]" 1
293 1 16 ALA HA 1 17 ALA MB . . 4.350 4.249 4.124 4.334 . 0 0 "[ . 1 . 2]" 1
294 1 16 ALA HA 1 95 VAL QG . . 3.620 3.052 2.801 3.353 . 0 0 "[ . 1 . 2]" 1
295 1 16 ALA HA 1 96 GLY H . . 3.920 3.410 3.149 3.757 . 0 0 "[ . 1 . 2]" 1
296 1 16 ALA HA 1 97 GLN HA . . 4.690 2.648 2.062 3.468 . 0 0 "[ . 1 . 2]" 1
297 1 16 ALA MB 1 17 ALA H . . 3.390 2.722 2.600 2.825 . 0 0 "[ . 1 . 2]" 1
298 1 16 ALA MB 1 95 VAL HA . . 5.500 5.724 5.559 5.855 0.355 4 0 "[ . 1 . 2]" 1
299 1 16 ALA MB 1 95 VAL QG . . 3.280 4.066 3.906 4.299 1.019 9 20 [-*******+***********] 1
300 1 16 ALA MB 1 96 GLY H . . 4.060 4.803 4.608 5.091 1.031 13 20 [************+****-**] 1
301 1 16 ALA MB 1 97 GLN H . . 4.520 4.427 3.491 4.929 0.409 15 0 "[ . 1 . 2]" 1
302 1 16 ALA MB 1 97 GLN HA . . 3.580 2.701 2.077 3.158 . 0 0 "[ . 1 . 2]" 1
303 1 16 ALA MB 1 97 GLN QB . . 3.940 3.255 2.347 4.270 0.330 13 0 "[ . 1 . 2]" 1
304 1 17 ALA H 1 17 ALA MB . . 2.650 2.265 2.220 2.304 . 0 0 "[ . 1 . 2]" 1
305 1 17 ALA H 1 95 VAL QG . . 3.250 2.722 2.538 3.019 . 0 0 "[ . 1 . 2]" 1
306 1 17 ALA HA 1 68 LEU QB . . 3.620 3.559 3.150 3.823 0.203 9 0 "[ . 1 . 2]" 1
307 1 17 ALA MB 1 18 PRO HA . . 4.630 4.460 4.400 4.492 . 0 0 "[ . 1 . 2]" 1
308 1 17 ALA MB 1 18 PRO QG . . 5.260 4.208 4.010 4.371 . 0 0 "[ . 1 . 2]" 1
309 1 17 ALA MB 1 64 PRO QB . . 5.190 5.662 4.987 6.076 0.886 12 9 "[ * *- * +* .* **2]" 1
310 1 17 ALA MB 1 64 PRO QG . . 4.290 4.697 4.051 5.058 0.768 2 7 "[ + *. - ** .* *2]" 1
311 1 17 ALA MB 1 67 PRO HA . . 3.970 4.303 3.619 5.081 1.111 2 8 "[ +**- * *1 * . * 2]" 1
312 1 17 ALA MB 1 67 PRO HB2 . . 5.380 4.408 3.524 5.455 0.075 9 0 "[ . 1 . 2]" 1
313 1 17 ALA MB 1 67 PRO HB3 . . 5.380 5.007 4.098 5.989 0.609 9 3 "[ - . +1 . * 2]" 1
314 1 17 ALA MB 1 68 LEU H . . 3.240 2.773 2.286 3.439 0.199 2 0 "[ . 1 . 2]" 1
315 1 17 ALA MB 1 68 LEU QB . . 3.440 2.116 1.940 2.401 . 0 0 "[ . 1 . 2]" 1
316 1 17 ALA MB 1 68 LEU QD . . 3.360 2.787 2.021 3.246 . 0 0 "[ . 1 . 2]" 1
317 1 17 ALA MB 1 68 LEU HG . . 4.190 3.348 2.765 3.759 . 0 0 "[ . 1 . 2]" 1
318 1 17 ALA MB 1 69 ALA HA . . 4.990 4.629 3.834 5.301 0.311 9 0 "[ . 1 . 2]" 1
319 1 17 ALA MB 1 95 VAL QG . . 3.950 2.219 2.046 2.487 . 0 0 "[ . 1 . 2]" 1
320 1 18 PRO HA 1 19 ALA H . . 3.040 2.421 2.354 2.509 . 0 0 "[ . 1 . 2]" 1
321 1 18 PRO HA 1 19 ALA MB . . 4.060 4.228 4.151 4.305 0.245 12 0 "[ . 1 . 2]" 1
322 1 18 PRO HA 1 20 ASP H . . 4.730 4.147 3.934 4.275 . 0 0 "[ . 1 . 2]" 1
323 1 18 PRO QB 1 19 ALA H . . 4.110 2.871 2.723 2.992 . 0 0 "[ . 1 . 2]" 1
324 1 18 PRO QB 1 20 ASP H . . 3.220 2.620 2.415 2.839 . 0 0 "[ . 1 . 2]" 1
325 1 18 PRO QB 1 21 LEU HA . . 5.500 3.696 3.482 3.932 . 0 0 "[ . 1 . 2]" 1
326 1 18 PRO QB 1 21 LEU QD . . 4.880 3.351 3.084 3.820 . 0 0 "[ . 1 . 2]" 1
327 1 18 PRO QB 1 68 LEU QD . . 5.440 4.769 4.329 5.561 0.121 6 0 "[ . 1 . 2]" 1
328 1 18 PRO QG 1 20 ASP H . . 4.200 3.881 3.585 4.135 . 0 0 "[ . 1 . 2]" 1
329 1 18 PRO QG 1 68 LEU QD . . 4.350 3.290 2.763 4.129 . 0 0 "[ . 1 . 2]" 1
330 1 19 ALA H 1 19 ALA MB . . 3.100 2.281 2.216 2.320 . 0 0 "[ . 1 . 2]" 1
331 1 19 ALA HA 1 20 ASP HA . . 4.740 4.662 4.618 4.703 . 0 0 "[ . 1 . 2]" 1
332 1 19 ALA HA 1 20 ASP QB . . 4.850 4.826 4.752 4.891 0.041 5 0 "[ . 1 . 2]" 1
333 1 19 ALA MB 1 20 ASP H . . 3.100 2.620 2.540 2.748 . 0 0 "[ . 1 . 2]" 1
334 1 19 ALA MB 1 20 ASP QB . . 4.580 3.543 3.434 3.643 . 0 0 "[ . 1 . 2]" 1
335 1 20 ASP H 1 20 ASP HB2 . . 4.210 3.965 3.923 4.016 . 0 0 "[ . 1 . 2]" 1
336 1 20 ASP H 1 20 ASP HB3 . . 4.210 3.372 3.317 3.433 . 0 0 "[ . 1 . 2]" 1
337 1 20 ASP H 1 21 LEU QD . . 5.010 4.086 3.879 4.367 . 0 0 "[ . 1 . 2]" 1
338 1 20 ASP HA 1 21 LEU H . . 3.090 2.478 2.421 2.554 . 0 0 "[ . 1 . 2]" 1
339 1 20 ASP HA 1 21 LEU QB . . 5.500 4.590 4.518 4.675 . 0 0 "[ . 1 . 2]" 1
340 1 20 ASP HA 1 61 VAL QG . . 4.490 4.339 4.142 4.525 0.035 10 0 "[ . 1 . 2]" 1
341 1 20 ASP HA 1 63 THR HA . . 3.590 2.782 2.607 2.983 . 0 0 "[ . 1 . 2]" 1
342 1 20 ASP HA 1 64 PRO QB . . 5.500 5.298 5.073 5.559 0.059 5 0 "[ . 1 . 2]" 1
343 1 20 ASP HA 1 64 PRO QG . . 4.480 4.089 3.878 4.297 . 0 0 "[ . 1 . 2]" 1
344 1 20 ASP QB 1 21 LEU H . . 3.140 2.625 2.495 2.743 . 0 0 "[ . 1 . 2]" 1
345 1 20 ASP QB 1 21 LEU QD . . 5.280 4.070 3.990 4.179 . 0 0 "[ . 1 . 2]" 1
346 1 20 ASP QB 1 61 VAL QG . . 3.130 2.373 2.229 2.505 . 0 0 "[ . 1 . 2]" 1
347 1 20 ASP QB 1 62 VAL H . . 4.290 3.604 3.385 3.806 . 0 0 "[ . 1 . 2]" 1
348 1 20 ASP QB 1 62 VAL QG . . 5.340 4.688 4.575 4.857 . 0 0 "[ . 1 . 2]" 1
349 1 20 ASP HB2 1 63 THR HA . . 3.830 3.326 2.942 3.666 . 0 0 "[ . 1 . 2]" 1
350 1 20 ASP HB3 1 63 THR HA . . 3.830 3.572 3.382 3.880 0.050 8 0 "[ . 1 . 2]" 1
351 1 21 LEU H 1 21 LEU QB . . 3.220 2.583 2.528 2.628 . 0 0 "[ . 1 . 2]" 1
352 1 21 LEU H 1 61 VAL QG . . 4.070 3.641 3.279 3.963 . 0 0 "[ . 1 . 2]" 1
353 1 21 LEU H 1 62 VAL HB . . 3.630 3.223 3.028 3.391 . 0 0 "[ . 1 . 2]" 1
354 1 21 LEU H 1 62 VAL QG . . 4.380 3.802 3.699 3.895 . 0 0 "[ . 1 . 2]" 1
355 1 21 LEU H 1 63 THR HA . . 4.570 3.653 3.501 3.828 . 0 0 "[ . 1 . 2]" 1
356 1 21 LEU H 1 64 PRO QG . . 5.500 5.494 5.233 5.726 0.226 16 0 "[ . 1 . 2]" 1
357 1 21 LEU HA 1 21 LEU HG . . 3.850 2.721 2.686 2.765 . 0 0 "[ . 1 . 2]" 1
358 1 21 LEU HA 1 22 ARG H . . 2.950 2.236 2.154 2.293 . 0 0 "[ . 1 . 2]" 1
359 1 21 LEU HA 1 22 ARG HA . . 4.570 4.465 4.432 4.503 . 0 0 "[ . 1 . 2]" 1
360 1 21 LEU QB 1 22 ARG H . . 3.700 3.079 2.975 3.128 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU QB 1 23 LEU QD . . 3.490 2.959 2.398 3.826 0.336 8 0 "[ . 1 . 2]" 1
362 1 21 LEU QB 1 62 VAL H . . 3.790 3.474 3.087 3.701 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU QB 1 62 VAL HA . . 5.030 5.107 4.924 5.190 0.160 5 0 "[ . 1 . 2]" 1
364 1 21 LEU QB 1 62 VAL HB . . 3.270 2.378 2.280 2.492 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU QB 1 62 VAL QG . . 3.400 3.160 3.060 3.280 . 0 0 "[ . 1 . 2]" 1
366 1 21 LEU QD 1 22 ARG H . . 4.790 4.396 4.343 4.449 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU QD 1 38 LEU QB . . 4.470 4.148 3.631 4.915 0.445 20 0 "[ . 1 . 2]" 1
368 1 21 LEU QD 1 38 LEU QD . . 4.160 2.641 2.220 3.175 . 0 0 "[ . 1 . 2]" 1
369 1 21 LEU QD 1 63 THR HA . . 4.110 3.921 3.743 4.111 0.001 9 0 "[ . 1 . 2]" 1
370 1 21 LEU QD 1 64 PRO QG . . 5.130 3.337 3.068 3.640 . 0 0 "[ . 1 . 2]" 1
371 1 21 LEU QD 1 68 LEU QD . . 3.660 2.776 2.202 3.341 . 0 0 "[ . 1 . 2]" 1
372 1 21 LEU QD 1 93 PHE QD . . 5.400 4.160 3.765 4.492 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU HG 1 62 VAL HB . . 4.460 5.304 5.083 5.453 0.993 11 20 [**********+*****-***] 1
374 1 21 LEU HG 1 68 LEU QD . . 5.440 4.589 3.851 5.115 . 0 0 "[ . 1 . 2]" 1
375 1 22 ARG H 1 22 ARG HB2 . . 3.860 2.604 2.420 2.947 . 0 0 "[ . 1 . 2]" 1
376 1 22 ARG H 1 22 ARG HB3 . . 3.860 3.704 2.561 3.808 . 0 0 "[ . 1 . 2]" 1
377 1 22 ARG HA 1 23 LEU H . . 2.840 2.179 2.068 2.239 . 0 0 "[ . 1 . 2]" 1
378 1 22 ARG HA 1 23 LEU HA . . 4.640 4.441 4.344 4.490 . 0 0 "[ . 1 . 2]" 1
379 1 22 ARG HA 1 23 LEU QB . . 4.940 4.384 4.270 4.512 . 0 0 "[ . 1 . 2]" 1
380 1 22 ARG HA 1 23 LEU QD . . 4.450 3.322 2.887 4.419 . 0 0 "[ . 1 . 2]" 1
381 1 22 ARG HA 1 59 THR MG . . 3.840 3.827 3.422 4.272 0.432 12 0 "[ . 1 . 2]" 1
382 1 22 ARG HA 1 60 LEU H . . 4.870 4.429 3.935 4.752 . 0 0 "[ . 1 . 2]" 1
383 1 22 ARG HA 1 61 VAL H . . 5.210 4.946 4.843 5.005 . 0 0 "[ . 1 . 2]" 1
384 1 22 ARG HA 1 61 VAL HA . . 3.500 2.506 2.362 2.655 . 0 0 "[ . 1 . 2]" 1
385 1 22 ARG HA 1 62 VAL H . . 4.050 3.510 3.282 3.873 . 0 0 "[ . 1 . 2]" 1
386 1 22 ARG QB 1 22 ARG QD . . 2.990 2.199 2.021 2.394 . 0 0 "[ . 1 . 2]" 1
387 1 22 ARG QB 1 59 THR MG . . 3.390 2.550 2.219 3.907 0.517 17 1 "[ . 1 . + 2]" 1
388 1 22 ARG QB 1 61 VAL HA . . 4.600 3.973 3.700 4.438 . 0 0 "[ . 1 . 2]" 1
389 1 22 ARG QB 1 61 VAL QG . . 3.690 3.176 2.695 3.744 0.054 6 0 "[ . 1 . 2]" 1
390 1 22 ARG HB2 1 23 LEU H . . 4.650 4.131 3.962 4.438 . 0 0 "[ . 1 . 2]" 1
391 1 22 ARG HB3 1 23 LEU H . . 4.650 3.213 2.920 4.278 . 0 0 "[ . 1 . 2]" 1
392 1 22 ARG QD 1 59 THR MG . . 3.910 3.023 2.162 4.480 0.570 14 1 "[ . 1 +. 2]" 1
393 1 22 ARG QD 1 61 VAL QG . . 3.620 2.809 2.177 3.572 . 0 0 "[ . 1 . 2]" 1
394 1 23 LEU H 1 23 LEU QB . . 3.380 2.559 2.463 2.662 . 0 0 "[ . 1 . 2]" 1
395 1 23 LEU H 1 23 LEU HG . . 4.810 3.934 3.026 4.261 . 0 0 "[ . 1 . 2]" 1
396 1 23 LEU H 1 24 THR H . . 4.390 4.476 4.408 4.559 0.169 13 0 "[ . 1 . 2]" 1
397 1 23 LEU H 1 59 THR HA . . 4.950 4.445 4.195 4.725 . 0 0 "[ . 1 . 2]" 1
398 1 23 LEU H 1 59 THR MG . . 3.620 3.498 3.067 3.978 0.358 17 0 "[ . 1 . 2]" 1
399 1 23 LEU H 1 60 LEU QB . . 4.850 3.283 3.042 3.428 . 0 0 "[ . 1 . 2]" 1
400 1 23 LEU H 1 61 VAL HA . . 4.380 3.754 3.456 4.055 . 0 0 "[ . 1 . 2]" 1
401 1 23 LEU H 1 61 VAL QG . . 4.810 4.181 3.677 4.650 . 0 0 "[ . 1 . 2]" 1
402 1 23 LEU H 1 62 VAL H . . 5.130 4.944 4.680 5.128 . 0 0 "[ . 1 . 2]" 1
403 1 23 LEU HA 1 23 LEU HG . . 3.320 2.813 2.670 3.161 . 0 0 "[ . 1 . 2]" 1
404 1 23 LEU HA 1 24 THR H . . 2.930 2.294 2.258 2.336 . 0 0 "[ . 1 . 2]" 1
405 1 23 LEU HA 1 24 THR HB . . 4.670 4.735 4.650 4.840 0.170 19 0 "[ . 1 . 2]" 1
406 1 23 LEU HA 1 59 THR MG . . 5.040 4.837 4.274 5.590 0.550 17 1 "[ . 1 . + 2]" 1
407 1 23 LEU QB 1 24 THR H . . 4.580 3.070 3.008 3.187 . 0 0 "[ . 1 . 2]" 1
408 1 23 LEU QB 1 60 LEU H . . 4.380 3.488 3.355 3.657 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU QB 1 60 LEU QB . . 4.190 2.561 2.427 2.732 . 0 0 "[ . 1 . 2]" 1
410 1 23 LEU QD 1 24 THR H . . 4.270 4.215 3.596 4.399 0.129 14 0 "[ . 1 . 2]" 1
411 1 23 LEU QD 1 36 VAL QG . . 3.640 3.039 2.631 3.334 . 0 0 "[ . 1 . 2]" 1
412 1 23 LEU QD 1 60 LEU QB . . 5.040 3.262 3.104 3.590 . 0 0 "[ . 1 . 2]" 1
413 1 23 LEU QD 1 62 VAL QG . . 4.110 2.658 2.231 3.307 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU QD 1 75 VAL QG . . 3.570 2.928 2.692 3.163 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU QD 1 77 TRP QB . . 4.120 3.170 2.762 3.518 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU QD 1 77 TRP HD1 . . 3.780 3.364 2.973 3.760 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU QD 1 91 TYR QD . . 4.860 4.101 3.478 4.449 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU HG 1 24 THR H . . 5.370 4.662 4.473 5.253 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU HG 1 91 TYR QE . . 4.850 3.653 3.016 4.814 . 0 0 "[ . 1 . 2]" 1
420 1 24 THR H 1 24 THR HB . . 3.140 2.668 2.593 2.717 . 0 0 "[ . 1 . 2]" 1
421 1 24 THR H 1 24 THR MG . . 4.360 3.893 3.847 3.919 . 0 0 "[ . 1 . 2]" 1
422 1 24 THR H 1 59 THR MG . . 4.700 4.853 4.213 5.678 0.978 17 4 "[* . *- . + 2]" 1
423 1 24 THR HA 1 24 THR MG . . 3.290 2.340 2.264 2.399 . 0 0 "[ . 1 . 2]" 1
424 1 24 THR HA 1 25 PHE H . . 2.970 2.178 2.146 2.201 . 0 0 "[ . 1 . 2]" 1
425 1 24 THR HA 1 25 PHE HA . . 4.450 4.446 4.419 4.465 0.015 12 0 "[ . 1 . 2]" 1
426 1 24 THR HA 1 25 PHE QD . . 4.300 3.638 3.425 3.780 . 0 0 "[ . 1 . 2]" 1
427 1 24 THR HA 1 25 PHE QE . . 5.050 4.823 4.667 4.965 . 0 0 "[ . 1 . 2]" 1
428 1 24 THR HA 1 59 THR H . . 5.140 4.877 4.660 5.094 . 0 0 "[ . 1 . 2]" 1
429 1 24 THR HA 1 59 THR HA . . 3.220 2.496 2.302 2.733 . 0 0 "[ . 1 . 2]" 1
430 1 24 THR HA 1 59 THR MG . . 4.030 3.603 3.198 4.181 0.151 17 0 "[ . 1 . 2]" 1
431 1 24 THR HA 1 60 LEU H . . 4.200 3.612 3.481 3.845 . 0 0 "[ . 1 . 2]" 1
432 1 24 THR HB 1 25 PHE H . . 4.370 4.228 4.170 4.269 . 0 0 "[ . 1 . 2]" 1
433 1 24 THR MG 1 25 PHE H . . 3.360 2.785 2.741 2.833 . 0 0 "[ . 1 . 2]" 1
434 1 24 THR MG 1 25 PHE HA . . 4.070 3.975 3.834 4.088 0.018 4 0 "[ . 1 . 2]" 1
435 1 24 THR MG 1 25 PHE QB . . 4.960 4.525 4.464 4.599 . 0 0 "[ . 1 . 2]" 1
436 1 24 THR MG 1 26 SER H . . 5.500 5.041 4.789 5.178 . 0 0 "[ . 1 . 2]" 1
437 1 24 THR MG 1 58 LYS QB . . 3.600 2.891 2.549 3.196 . 0 0 "[ . 1 . 2]" 1
438 1 24 THR MG 1 59 THR HA . . 4.140 3.500 3.288 3.811 . 0 0 "[ . 1 . 2]" 1
439 1 25 PHE H 1 25 PHE QB . . 3.290 2.555 2.509 2.595 . 0 0 "[ . 1 . 2]" 1
440 1 25 PHE H 1 25 PHE QD . . 3.550 2.692 2.544 2.808 . 0 0 "[ . 1 . 2]" 1
441 1 25 PHE H 1 26 SER H . . 5.010 4.568 4.530 4.600 . 0 0 "[ . 1 . 2]" 1
442 1 25 PHE H 1 29 VAL MG1 . . 5.140 4.855 4.512 5.150 0.010 17 0 "[ . 1 . 2]" 1
443 1 25 PHE H 1 29 VAL MG2 . . 5.140 4.869 4.662 5.211 0.071 13 0 "[ . 1 . 2]" 1
444 1 25 PHE H 1 58 LYS HA . . 4.080 3.596 3.402 3.822 . 0 0 "[ . 1 . 2]" 1
445 1 25 PHE H 1 58 LYS QB . . 4.460 3.121 2.741 3.669 . 0 0 "[ . 1 . 2]" 1
446 1 25 PHE H 1 59 THR HA . . 4.080 3.676 3.463 3.901 . 0 0 "[ . 1 . 2]" 1
447 1 25 PHE H 1 59 THR MG . . 5.340 5.222 4.914 5.623 0.283 17 0 "[ . 1 . 2]" 1
448 1 25 PHE HA 1 25 PHE QD . . 3.820 2.938 2.851 3.023 . 0 0 "[ . 1 . 2]" 1
449 1 25 PHE HA 1 26 SER H . . 3.040 2.328 2.255 2.405 . 0 0 "[ . 1 . 2]" 1
450 1 25 PHE HA 1 26 SER HA . . 4.540 4.362 4.303 4.439 . 0 0 "[ . 1 . 2]" 1
451 1 25 PHE HA 1 27 GLU H . . 4.340 4.125 3.964 4.485 0.145 19 0 "[ . 1 . 2]" 1
452 1 25 PHE QB 1 26 SER H . . 3.440 2.601 2.397 2.769 . 0 0 "[ . 1 . 2]" 1
453 1 25 PHE QB 1 26 SER HA . . 5.140 4.510 4.405 4.600 . 0 0 "[ . 1 . 2]" 1
454 1 25 PHE QB 1 27 GLU H . . 3.260 2.602 2.398 3.090 . 0 0 "[ . 1 . 2]" 1
455 1 25 PHE QB 1 29 VAL MG1 . . 4.440 2.764 2.503 2.977 . 0 0 "[ . 1 . 2]" 1
456 1 25 PHE QB 1 29 VAL MG2 . . 4.440 3.736 3.433 3.978 . 0 0 "[ . 1 . 2]" 1
457 1 25 PHE QB 1 58 LYS HA . . 4.550 3.479 3.245 3.811 . 0 0 "[ . 1 . 2]" 1
458 1 25 PHE QD 1 26 SER H . . 4.160 3.887 3.690 4.124 . 0 0 "[ . 1 . 2]" 1
459 1 25 PHE QD 1 27 GLU H . . 4.690 4.682 4.524 5.045 0.355 19 0 "[ . 1 . 2]" 1
460 1 25 PHE QD 1 29 VAL MG1 . . 4.000 3.114 2.861 3.475 . 0 0 "[ . 1 . 2]" 1
461 1 25 PHE QD 1 29 VAL MG2 . . 4.000 2.966 2.626 3.384 . 0 0 "[ . 1 . 2]" 1
462 1 25 PHE QD 1 58 LYS HA . . 4.780 4.048 3.774 4.424 . 0 0 "[ . 1 . 2]" 1
463 1 25 PHE QD 1 60 LEU H . . 4.930 3.919 3.668 4.184 . 0 0 "[ . 1 . 2]" 1
464 1 25 PHE QD 1 60 LEU QB . . 4.900 3.284 3.073 3.631 . 0 0 "[ . 1 . 2]" 1
465 1 25 PHE QD 1 79 ALA MB . . 4.750 4.215 3.913 4.555 . 0 0 "[ . 1 . 2]" 1
466 1 25 PHE QE 1 77 TRP HE3 . . 4.290 4.090 3.482 4.579 0.289 8 0 "[ . 1 . 2]" 1
467 1 25 PHE QE 1 77 TRP HH2 . . 4.600 3.183 2.874 3.641 . 0 0 "[ . 1 . 2]" 1
468 1 26 SER H 1 27 GLU H . . 3.510 2.646 2.539 2.749 . 0 0 "[ . 1 . 2]" 1
469 1 26 SER HA 1 27 GLU HA . . 4.840 4.645 4.538 4.785 . 0 0 "[ . 1 . 2]" 1
470 1 27 GLU H 1 27 GLU QB . . 3.700 2.455 2.163 2.636 . 0 0 "[ . 1 . 2]" 1
471 1 27 GLU H 1 27 GLU QG . . 4.210 4.079 3.741 4.208 . 0 0 "[ . 1 . 2]" 1
472 1 27 GLU H 1 28 GLY H . . 4.820 4.440 4.344 4.649 . 0 0 "[ . 1 . 2]" 1
473 1 27 GLU H 1 58 LYS HA . . 5.500 5.102 4.602 5.777 0.277 19 0 "[ . 1 . 2]" 1
474 1 27 GLU HA 1 28 GLY H . . 3.140 2.355 2.279 2.431 . 0 0 "[ . 1 . 2]" 1
475 1 27 GLU HA 1 28 GLY QA . . 4.670 3.944 3.881 4.009 . 0 0 "[ . 1 . 2]" 1
476 1 27 GLU HA 1 58 LYS QG . . 4.560 3.842 3.292 4.651 0.091 19 0 "[ . 1 . 2]" 1
477 1 27 GLU QB 1 28 GLY H . . 3.720 3.676 3.602 3.760 0.040 4 0 "[ . 1 . 2]" 1
478 1 27 GLU QG 1 28 GLY H . . 3.740 2.599 2.393 3.002 . 0 0 "[ . 1 . 2]" 1
479 1 27 GLU QG 1 29 VAL HA . . 4.870 4.734 4.375 5.387 0.517 12 1 "[ . 1 + . 2]" 1
480 1 27 GLU QG 1 81 SER HA . . 4.450 3.757 3.386 4.499 0.049 12 0 "[ . 1 . 2]" 1
481 1 27 GLU QG 1 81 SER QB . . 3.930 2.412 2.001 3.391 . 0 0 "[ . 1 . 2]" 1
482 1 27 GLU QG 1 82 VAL H . . 4.060 3.268 3.004 3.470 . 0 0 "[ . 1 . 2]" 1
483 1 27 GLU QG 1 82 VAL QG . . 4.550 3.005 2.663 3.402 . 0 0 "[ . 1 . 2]" 1
484 1 27 GLU QG 1 83 ASP HB2 . . 5.500 4.205 3.466 4.869 . 0 0 "[ . 1 . 2]" 1
485 1 27 GLU QG 1 83 ASP HB3 . . 5.500 4.399 3.488 5.101 . 0 0 "[ . 1 . 2]" 1
486 1 28 GLY H 1 58 LYS QG . . 4.610 3.438 3.053 4.227 . 0 0 "[ . 1 . 2]" 1
487 1 28 GLY H 1 82 VAL QG . . 4.390 3.303 2.911 3.613 . 0 0 "[ . 1 . 2]" 1
488 1 28 GLY QA 1 29 VAL H . . 3.180 2.257 2.203 2.322 . 0 0 "[ . 1 . 2]" 1
489 1 28 GLY QA 1 29 VAL MG1 . . 4.660 3.359 3.275 3.453 . 0 0 "[ . 1 . 2]" 1
490 1 28 GLY QA 1 29 VAL MG2 . . 4.660 3.559 3.469 3.635 . 0 0 "[ . 1 . 2]" 1
491 1 28 GLY QA 1 57 LYS HB2 . . 4.600 2.812 2.191 3.369 . 0 0 "[ . 1 . 2]" 1
492 1 28 GLY QA 1 57 LYS HB3 . . 4.600 3.577 2.652 4.224 . 0 0 "[ . 1 . 2]" 1
493 1 28 GLY QA 1 58 LYS H . . 4.650 3.840 3.350 4.289 . 0 0 "[ . 1 . 2]" 1
494 1 28 GLY QA 1 58 LYS HA . . 3.390 2.316 2.093 2.586 . 0 0 "[ . 1 . 2]" 1
495 1 28 GLY QA 1 58 LYS QG . . 4.590 2.695 2.211 3.193 . 0 0 "[ . 1 . 2]" 1
496 1 28 GLY QA 1 82 VAL H . . 4.780 4.183 3.871 4.581 . 0 0 "[ . 1 . 2]" 1
497 1 28 GLY QA 1 82 VAL MG1 . . 3.970 3.006 2.694 3.257 . 0 0 "[ . 1 . 2]" 1
498 1 28 GLY QA 1 82 VAL MG2 . . 3.970 3.438 2.936 3.914 . 0 0 "[ . 1 . 2]" 1
499 1 29 VAL H 1 29 VAL MG1 . . 3.870 2.909 2.865 2.963 . 0 0 "[ . 1 . 2]" 1
500 1 29 VAL H 1 29 VAL MG2 . . 3.870 2.160 2.077 2.252 . 0 0 "[ . 1 . 2]" 1
501 1 29 VAL H 1 52 THR MG . . 4.590 4.032 3.475 4.447 . 0 0 "[ . 1 . 2]" 1
502 1 29 VAL H 1 57 LYS HB2 . . 3.830 3.352 2.879 3.991 0.161 12 0 "[ . 1 . 2]" 1
503 1 29 VAL H 1 57 LYS HB3 . . 3.830 2.866 2.170 3.251 . 0 0 "[ . 1 . 2]" 1
504 1 29 VAL H 1 58 LYS HA . . 3.920 3.550 3.230 3.913 . 0 0 "[ . 1 . 2]" 1
505 1 29 VAL H 1 81 SER HA . . 4.820 4.839 4.616 5.086 0.266 4 0 "[ . 1 . 2]" 1
506 1 29 VAL H 1 82 VAL QG . . 4.780 3.625 3.345 3.918 . 0 0 "[ . 1 . 2]" 1
507 1 29 VAL HA 1 30 GLU H . . 3.250 2.346 2.229 2.440 . 0 0 "[ . 1 . 2]" 1
508 1 29 VAL HA 1 80 VAL QG . . 4.760 4.748 4.018 4.929 0.169 13 0 "[ . 1 . 2]" 1
509 1 29 VAL HA 1 81 SER HA . . 2.870 2.190 1.910 2.426 . 0 0 "[ . 1 . 2]" 1
510 1 29 VAL HA 1 81 SER QB . . 4.500 4.015 3.631 4.466 . 0 0 "[ . 1 . 2]" 1
511 1 29 VAL HA 1 82 VAL H . . 3.780 3.211 2.956 3.415 . 0 0 "[ . 1 . 2]" 1
512 1 29 VAL HA 1 82 VAL HA . . 5.500 4.629 4.401 4.881 . 0 0 "[ . 1 . 2]" 1
513 1 29 VAL HA 1 82 VAL QG . . 4.340 3.092 2.926 3.234 . 0 0 "[ . 1 . 2]" 1
514 1 29 VAL HB 1 30 GLU H . . 2.940 2.615 2.454 2.742 . 0 0 "[ . 1 . 2]" 1
515 1 29 VAL HB 1 31 ALA H . . 5.500 5.428 4.863 5.764 0.264 10 0 "[ . 1 . 2]" 1
516 1 29 VAL HB 1 31 ALA HA . . 4.980 5.049 4.488 5.303 0.323 10 0 "[ . 1 . 2]" 1
517 1 29 VAL HB 1 34 THR HB . . 5.500 5.249 4.724 5.612 0.112 8 0 "[ . 1 . 2]" 1
518 1 29 VAL HB 1 34 THR MG . . 4.300 4.126 3.727 4.398 0.098 15 0 "[ . 1 . 2]" 1
519 1 29 VAL HB 1 60 LEU QD . . 4.310 4.374 4.105 4.705 0.395 4 0 "[ . 1 . 2]" 1
520 1 29 VAL HB 1 60 LEU HG . . 5.270 5.094 4.737 5.478 0.208 13 0 "[ . 1 . 2]" 1
521 1 29 VAL HB 1 80 VAL H . . 3.720 3.160 2.915 3.439 . 0 0 "[ . 1 . 2]" 1
522 1 29 VAL HB 1 81 SER HA . . 4.390 3.932 3.667 4.082 . 0 0 "[ . 1 . 2]" 1
523 1 29 VAL QG 1 30 GLU HA . . 5.440 4.038 3.828 4.171 . 0 0 "[ . 1 . 2]" 1
524 1 29 VAL QG 1 31 ALA HA . . 4.790 3.848 3.353 4.215 . 0 0 "[ . 1 . 2]" 1
525 1 29 VAL QG 1 31 ALA MB . . 4.960 4.012 3.283 4.458 . 0 0 "[ . 1 . 2]" 1
526 1 29 VAL QG 1 34 THR MG . . 4.420 3.303 2.805 3.609 . 0 0 "[ . 1 . 2]" 1
527 1 29 VAL QG 1 52 THR MG . . 3.170 2.812 2.287 3.288 0.118 18 0 "[ . 1 . 2]" 1
528 1 29 VAL QG 1 57 LYS QB . . 4.510 3.481 3.236 3.702 . 0 0 "[ . 1 . 2]" 1
529 1 29 VAL QG 1 58 LYS QG . . 5.440 4.665 4.073 5.132 . 0 0 "[ . 1 . 2]" 1
530 1 29 VAL QG 1 60 LEU H . . 4.890 4.409 4.045 4.881 . 0 0 "[ . 1 . 2]" 1
531 1 29 VAL QG 1 60 LEU QD . . 3.980 2.535 2.232 2.816 . 0 0 "[ . 1 . 2]" 1
532 1 29 VAL QG 1 79 ALA MB . . 3.500 2.214 2.065 2.445 . 0 0 "[ . 1 . 2]" 1
533 1 29 VAL QG 1 80 VAL HA . . 4.470 4.491 4.271 4.783 0.313 4 0 "[ . 1 . 2]" 1
534 1 29 VAL QG 1 80 VAL QG . . 4.400 4.439 3.973 4.641 0.241 11 0 "[ . 1 . 2]" 1
535 1 29 VAL QG 1 81 SER QB . . 4.010 3.581 3.194 4.072 0.062 12 0 "[ . 1 . 2]" 1
536 1 29 VAL QG 1 82 VAL H . . 4.630 4.254 4.091 4.450 . 0 0 "[ . 1 . 2]" 1
537 1 29 VAL MG1 1 30 GLU H . . 4.050 3.771 3.637 3.859 . 0 0 "[ . 1 . 2]" 1
538 1 29 VAL MG1 1 58 LYS HA . . 4.830 4.237 3.841 4.655 . 0 0 "[ . 1 . 2]" 1
539 1 29 VAL MG1 1 60 LEU QB . . 5.500 4.236 3.871 4.628 . 0 0 "[ . 1 . 2]" 1
540 1 29 VAL MG1 1 80 VAL H . . 5.090 3.785 3.524 4.043 . 0 0 "[ . 1 . 2]" 1
541 1 29 VAL MG1 1 81 SER HA . . 4.930 2.695 2.406 2.882 . 0 0 "[ . 1 . 2]" 1
542 1 29 VAL MG2 1 30 GLU H . . 4.050 3.615 3.550 3.682 . 0 0 "[ . 1 . 2]" 1
543 1 29 VAL MG2 1 58 LYS HA . . 4.830 3.795 3.227 4.258 . 0 0 "[ . 1 . 2]" 1
544 1 29 VAL MG2 1 60 LEU QB . . 5.500 2.502 2.253 2.755 . 0 0 "[ . 1 . 2]" 1
545 1 29 VAL MG2 1 80 VAL H . . 5.090 4.525 4.316 4.786 . 0 0 "[ . 1 . 2]" 1
546 1 29 VAL MG2 1 81 SER HA . . 4.930 4.823 4.604 4.994 0.064 4 0 "[ . 1 . 2]" 1
547 1 30 GLU H 1 30 GLU QB . . 3.760 2.490 2.334 2.970 . 0 0 "[ . 1 . 2]" 1
548 1 30 GLU H 1 30 GLU HG2 . . 4.090 2.729 2.182 3.784 . 0 0 "[ . 1 . 2]" 1
549 1 30 GLU H 1 30 GLU HG3 . . 4.090 3.593 2.659 3.983 . 0 0 "[ . 1 . 2]" 1
550 1 30 GLU H 1 31 ALA MB . . 5.500 5.569 5.339 5.686 0.186 1 0 "[ . 1 . 2]" 1
551 1 30 GLU H 1 34 THR MG . . 5.500 5.487 5.350 5.658 0.158 15 0 "[ . 1 . 2]" 1
552 1 30 GLU H 1 80 VAL QG . . 3.830 3.813 2.518 4.080 0.250 10 0 "[ . 1 . 2]" 1
553 1 30 GLU H 1 81 SER HA . . 3.820 3.651 3.439 3.965 0.145 12 0 "[ . 1 . 2]" 1
554 1 30 GLU HA 1 30 GLU HG2 . . 4.200 3.022 2.416 3.830 . 0 0 "[ . 1 . 2]" 1
555 1 30 GLU HA 1 30 GLU HG3 . . 4.200 3.762 3.145 3.885 . 0 0 "[ . 1 . 2]" 1
556 1 30 GLU HA 1 31 ALA H . . 3.200 2.218 2.124 2.312 . 0 0 "[ . 1 . 2]" 1
557 1 30 GLU HA 1 31 ALA HA . . 4.510 4.420 4.258 4.554 0.044 19 0 "[ . 1 . 2]" 1
558 1 30 GLU HA 1 31 ALA MB . . 4.880 4.052 3.931 4.162 . 0 0 "[ . 1 . 2]" 1
559 1 30 GLU HA 1 82 VAL QG . . 4.490 3.678 3.321 3.973 . 0 0 "[ . 1 . 2]" 1
560 1 30 GLU QB 1 31 ALA MB . . 5.310 4.566 4.385 4.837 . 0 0 "[ . 1 . 2]" 1
561 1 30 GLU QB 1 32 THR HB . . 4.620 3.384 2.587 5.448 0.828 2 1 "[ + . 1 . 2]" 1
562 1 30 GLU QB 1 33 PHE H . . 3.640 2.999 2.598 4.217 0.577 12 1 "[ . 1 + . 2]" 1
563 1 30 GLU QB 1 33 PHE QD . . 4.260 2.408 1.934 4.063 . 0 0 "[ . 1 . 2]" 1
564 1 30 GLU QB 1 34 THR H . . 4.670 4.335 3.851 5.482 0.812 6 3 "[ - .+ 1 * . 2]" 1
565 1 30 GLU QB 1 80 VAL QG . . 3.960 3.415 2.211 4.565 0.605 12 2 "[ .- 1 + . 2]" 1
566 1 30 GLU QB 1 82 VAL HA . . 4.590 4.323 2.696 5.033 0.443 4 0 "[ . 1 . 2]" 1
567 1 30 GLU QB 1 82 VAL QG . . 4.100 3.953 2.409 4.459 0.359 11 0 "[ . 1 . 2]" 1
568 1 30 GLU QG 1 33 PHE QB . . 4.520 4.074 2.511 5.578 1.058 17 2 "[ . 1 - + 2]" 1
569 1 30 GLU QG 1 33 PHE QD . . 4.160 2.938 2.104 4.789 0.629 17 1 "[ . 1 . + 2]" 1
570 1 30 GLU QG 1 33 PHE QE . . 5.340 3.876 2.897 5.690 0.350 17 0 "[ . 1 . 2]" 1
571 1 30 GLU QG 1 80 VAL HA . . 5.260 5.586 4.689 6.263 1.003 17 7 "[- * * * +* *]" 1
572 1 30 GLU QG 1 80 VAL QG . . 4.220 3.183 2.613 3.736 . 0 0 "[ . 1 . 2]" 1
573 1 30 GLU QG 1 82 VAL H . . 4.680 4.104 3.621 5.164 0.484 12 0 "[ . 1 . 2]" 1
574 1 30 GLU QG 1 82 VAL HA . . 3.310 2.606 2.174 3.795 0.485 12 0 "[ . 1 . 2]" 1
575 1 30 GLU QG 1 82 VAL QG . . 3.690 2.799 2.250 3.908 0.218 12 0 "[ . 1 . 2]" 1
576 1 30 GLU HG2 1 33 PHE H . . 5.500 5.453 4.056 6.193 0.693 17 2 "[ . 1 - + 2]" 1
577 1 30 GLU HG3 1 33 PHE H . . 5.500 4.778 2.526 6.036 0.536 17 1 "[ . 1 . + 2]" 1
578 1 31 ALA H 1 31 ALA MB . . 3.440 2.224 2.161 2.251 . 0 0 "[ . 1 . 2]" 1
579 1 31 ALA H 1 52 THR MG . . 4.750 3.350 3.082 3.703 . 0 0 "[ . 1 . 2]" 1
580 1 31 ALA HA 1 33 PHE H . . 4.510 4.148 3.987 4.352 . 0 0 "[ . 1 . 2]" 1
581 1 31 ALA HA 1 34 THR H . . 3.690 3.323 3.105 3.696 0.006 1 0 "[ . 1 . 2]" 1
582 1 31 ALA HA 1 34 THR HB . . 3.080 2.684 2.404 3.088 0.008 14 0 "[ . 1 . 2]" 1
583 1 31 ALA HA 1 34 THR MG . . 3.910 3.874 3.572 4.282 0.372 14 0 "[ . 1 . 2]" 1
584 1 31 ALA HA 1 50 LEU HG . . 4.490 3.826 3.537 4.295 . 0 0 "[ . 1 . 2]" 1
585 1 31 ALA HA 1 60 LEU QD . . 3.330 2.703 2.417 3.021 . 0 0 "[ . 1 . 2]" 1
586 1 31 ALA MB 1 32 THR H . . 4.460 2.802 2.644 2.931 . 0 0 "[ . 1 . 2]" 1
587 1 31 ALA MB 1 32 THR HA . . 4.280 3.867 3.783 4.011 . 0 0 "[ . 1 . 2]" 1
588 1 31 ALA MB 1 33 PHE H . . 4.830 4.640 4.513 4.761 . 0 0 "[ . 1 . 2]" 1
589 1 31 ALA MB 1 34 THR H . . 4.500 4.487 4.282 4.790 0.290 1 0 "[ . 1 . 2]" 1
590 1 31 ALA MB 1 34 THR HB . . 4.630 4.036 3.694 4.528 . 0 0 "[ . 1 . 2]" 1
591 1 31 ALA MB 1 34 THR MG . . 5.360 4.693 4.305 5.180 . 0 0 "[ . 1 . 2]" 1
592 1 31 ALA MB 1 50 LEU HG . . 3.430 2.903 2.329 3.608 0.178 13 0 "[ . 1 . 2]" 1
593 1 31 ALA MB 1 51 GLU H . . 4.550 4.202 3.831 4.777 0.227 1 0 "[ . 1 . 2]" 1
594 1 31 ALA MB 1 51 GLU HA . . 3.240 2.602 2.228 2.956 . 0 0 "[ . 1 . 2]" 1
595 1 31 ALA MB 1 51 GLU HB3 . . 4.810 4.578 4.198 5.001 0.191 1 0 "[ . 1 . 2]" 1
596 1 31 ALA MB 1 52 THR H . . 3.920 3.248 2.728 3.670 . 0 0 "[ . 1 . 2]" 1
597 1 31 ALA MB 1 52 THR HA . . 4.800 4.538 4.113 4.966 0.166 15 0 "[ . 1 . 2]" 1
598 1 31 ALA MB 1 52 THR HB . . 4.600 4.563 4.121 5.060 0.460 15 0 "[ . 1 . 2]" 1
599 1 31 ALA MB 1 52 THR MG . . 3.260 2.126 1.941 2.433 . 0 0 "[ . 1 . 2]" 1
600 1 31 ALA MB 1 60 LEU QD . . 3.600 2.694 2.254 3.337 . 0 0 "[ . 1 . 2]" 1
601 1 32 THR HA 1 32 THR MG . . 3.050 2.382 2.322 2.441 . 0 0 "[ . 1 . 2]" 1
602 1 32 THR HA 1 34 THR H . . 5.040 4.330 4.145 4.515 . 0 0 "[ . 1 . 2]" 1
603 1 32 THR HB 1 33 PHE H . . 3.470 2.888 2.659 3.980 0.510 2 1 "[ + . 1 . 2]" 1
604 1 32 THR HB 1 33 PHE QD . . 4.660 3.240 2.568 4.487 . 0 0 "[ . 1 . 2]" 1
605 1 32 THR MG 1 33 PHE H . . 4.750 3.773 3.684 4.033 . 0 0 "[ . 1 . 2]" 1
606 1 32 THR MG 1 33 PHE HA . . 4.960 4.028 3.737 5.549 0.589 2 2 "[ + . - . 2]" 1
607 1 33 PHE H 1 33 PHE QB . . 3.310 2.554 2.515 2.600 . 0 0 "[ . 1 . 2]" 1
608 1 33 PHE H 1 33 PHE QD . . 4.170 2.836 2.433 3.267 . 0 0 "[ . 1 . 2]" 1
609 1 33 PHE H 1 34 THR MG . . 5.500 5.522 5.454 5.611 0.111 14 0 "[ . 1 . 2]" 1
610 1 33 PHE H 1 80 VAL HB . . 5.170 4.500 4.107 5.659 0.489 15 0 "[ . 1 . 2]" 1
611 1 33 PHE HA 1 33 PHE QD . . 3.400 2.735 2.364 3.050 . 0 0 "[ . 1 . 2]" 1
612 1 33 PHE QB 1 34 THR H . . 4.040 3.397 3.324 3.452 . 0 0 "[ . 1 . 2]" 1
613 1 33 PHE QB 1 80 VAL H . . 5.500 4.122 3.721 4.370 . 0 0 "[ . 1 . 2]" 1
614 1 33 PHE QB 1 80 VAL HB . . 3.570 2.431 2.043 3.278 . 0 0 "[ . 1 . 2]" 1
615 1 34 THR H 1 34 THR HB . . 2.850 2.506 2.444 2.596 . 0 0 "[ . 1 . 2]" 1
616 1 34 THR H 1 34 THR MG . . 3.920 3.806 3.771 3.848 . 0 0 "[ . 1 . 2]" 1
617 1 34 THR H 1 80 VAL HB . . 4.510 4.824 4.344 5.862 1.352 15 4 "[ . *1 + *- 2]" 1
618 1 34 THR H 1 80 VAL QG . . 4.170 4.351 3.465 4.974 0.804 9 2 "[ . +1 . - 2]" 1
619 1 34 THR HA 1 34 THR MG . . 3.150 2.442 2.379 2.513 . 0 0 "[ . 1 . 2]" 1
620 1 34 THR HA 1 35 LYS H . . 2.880 2.259 2.181 2.325 . 0 0 "[ . 1 . 2]" 1
621 1 34 THR HA 1 78 ASN HA . . 5.500 5.563 5.313 5.730 0.230 14 0 "[ . 1 . 2]" 1
622 1 34 THR HA 1 80 VAL H . . 4.620 3.430 3.132 3.764 . 0 0 "[ . 1 . 2]" 1
623 1 34 THR HA 1 80 VAL QG . . 3.530 3.469 3.019 3.972 0.442 9 0 "[ . 1 . 2]" 1
624 1 34 THR HB 1 50 LEU HG . . 3.950 3.838 3.441 4.079 0.129 18 0 "[ . 1 . 2]" 1
625 1 34 THR HB 1 60 LEU QD . . 4.320 2.953 2.663 3.295 . 0 0 "[ . 1 . 2]" 1
626 1 34 THR HB 1 60 LEU HG . . 4.900 4.244 3.857 4.616 . 0 0 "[ . 1 . 2]" 1
627 1 34 THR MG 1 35 LYS H . . 3.050 2.633 2.537 2.711 . 0 0 "[ . 1 . 2]" 1
628 1 34 THR MG 1 36 VAL H . . 4.700 4.328 4.165 4.542 . 0 0 "[ . 1 . 2]" 1
629 1 34 THR MG 1 36 VAL HB . . 5.340 4.604 4.377 4.929 . 0 0 "[ . 1 . 2]" 1
630 1 34 THR MG 1 36 VAL QG . . 3.150 2.296 2.076 2.562 . 0 0 "[ . 1 . 2]" 1
631 1 34 THR MG 1 60 LEU QD . . 3.360 2.452 2.245 2.688 . 0 0 "[ . 1 . 2]" 1
632 1 34 THR MG 1 60 LEU HG . . 2.870 2.364 2.111 2.683 . 0 0 "[ . 1 . 2]" 1
633 1 34 THR MG 1 77 TRP HA . . 4.710 4.720 4.456 5.033 0.323 1 0 "[ . 1 . 2]" 1
634 1 34 THR MG 1 77 TRP QB . . 4.750 3.537 3.213 3.853 . 0 0 "[ . 1 . 2]" 1
635 1 34 THR MG 1 78 ASN H . . 3.970 3.609 3.315 3.848 . 0 0 "[ . 1 . 2]" 1
636 1 34 THR MG 1 80 VAL H . . 4.050 3.831 3.594 4.078 0.028 9 0 "[ . 1 . 2]" 1
637 1 34 THR MG 1 80 VAL HB . . 4.960 5.698 5.361 6.070 1.110 9 17 "[ ******+********* -]" 1
638 1 34 THR MG 1 80 VAL QG . . 4.180 4.619 4.322 4.956 0.776 9 8 "[ - * *+** * * 2]" 1
639 1 35 LYS H 1 35 LYS HB2 . . 3.680 2.982 2.530 3.263 . 0 0 "[ . 1 . 2]" 1
640 1 35 LYS H 1 35 LYS HB3 . . 3.680 3.082 2.611 3.849 0.169 20 0 "[ . 1 . 2]" 1
641 1 35 LYS H 1 35 LYS HG2 . . 5.140 4.484 3.180 4.991 . 0 0 "[ . 1 . 2]" 1
642 1 35 LYS H 1 35 LYS HG3 . . 5.140 4.444 2.874 5.072 . 0 0 "[ . 1 . 2]" 1
643 1 35 LYS H 1 36 VAL H . . 4.420 4.412 4.318 4.512 0.092 15 0 "[ . 1 . 2]" 1
644 1 35 LYS H 1 36 VAL HA . . 5.380 4.849 4.625 5.007 . 0 0 "[ . 1 . 2]" 1
645 1 35 LYS H 1 36 VAL QG . . 4.330 3.800 3.664 3.995 . 0 0 "[ . 1 . 2]" 1
646 1 35 LYS H 1 77 TRP HA . . 4.750 4.789 4.622 4.916 0.166 13 0 "[ . 1 . 2]" 1
647 1 35 LYS H 1 77 TRP HE3 . . 5.500 5.497 5.319 5.646 0.146 6 0 "[ . 1 . 2]" 1
648 1 35 LYS H 1 78 ASN HA . . 4.850 4.715 4.566 4.850 . 0 0 "[ . 1 . 2]" 1
649 1 35 LYS H 1 80 VAL QG . . 4.530 4.797 4.337 5.664 1.134 15 3 "[ . -1 + * 2]" 1
650 1 35 LYS HA 1 35 LYS QD . . 4.270 3.549 2.161 4.249 . 0 0 "[ . 1 . 2]" 1
651 1 35 LYS HA 1 36 VAL H . . 2.730 2.245 2.187 2.300 . 0 0 "[ . 1 . 2]" 1
652 1 35 LYS QB 1 36 VAL H . . 4.270 3.554 2.872 3.864 . 0 0 "[ . 1 . 2]" 1
653 1 35 LYS QB 1 36 VAL QG . . 5.280 4.408 4.213 4.520 . 0 0 "[ . 1 . 2]" 1
654 1 35 LYS QB 1 78 ASN QB . . 3.200 2.459 2.062 3.025 . 0 0 "[ . 1 . 2]" 1
655 1 35 LYS HB2 1 78 ASN H . . 5.170 4.699 3.356 5.396 0.226 11 0 "[ . 1 . 2]" 1
656 1 35 LYS HB3 1 78 ASN H . . 5.170 4.043 3.372 5.043 . 0 0 "[ . 1 . 2]" 1
657 1 35 LYS QG 1 36 VAL H . . 4.370 3.248 2.612 4.620 0.250 9 0 "[ . 1 . 2]" 1
658 1 35 LYS QG 1 78 ASN QB . . 5.180 4.156 3.389 4.825 . 0 0 "[ . 1 . 2]" 1
659 1 36 VAL H 1 36 VAL HB . . 3.480 2.710 2.621 2.788 . 0 0 "[ . 1 . 2]" 1
660 1 36 VAL H 1 36 VAL QG . . 3.490 2.845 2.666 2.932 . 0 0 "[ . 1 . 2]" 1
661 1 36 VAL HA 1 36 VAL MG1 . . 3.180 2.396 2.351 2.458 . 0 0 "[ . 1 . 2]" 1
662 1 36 VAL HA 1 36 VAL MG2 . . 3.180 2.430 2.384 2.484 . 0 0 "[ . 1 . 2]" 1
663 1 36 VAL HA 1 37 SER H . . 2.790 2.190 2.120 2.251 . 0 0 "[ . 1 . 2]" 1
664 1 36 VAL HA 1 75 VAL QG . . 4.740 4.264 4.010 4.570 . 0 0 "[ . 1 . 2]" 1
665 1 36 VAL HA 1 77 TRP HA . . 3.250 2.465 2.356 2.622 . 0 0 "[ . 1 . 2]" 1
666 1 36 VAL HA 1 77 TRP QB . . 4.200 3.147 2.967 3.383 . 0 0 "[ . 1 . 2]" 1
667 1 36 VAL HB 1 37 SER H . . 4.200 4.155 4.064 4.211 0.011 15 0 "[ . 1 . 2]" 1
668 1 36 VAL HB 1 62 VAL QG . . 3.370 2.781 2.198 3.094 . 0 0 "[ . 1 . 2]" 1
669 1 36 VAL HB 1 77 TRP HA . . 4.820 5.315 5.108 5.496 0.676 14 10 "[ -* ** *1 * +** *]" 1
670 1 36 VAL QG 1 37 SER H . . 3.000 2.510 2.386 2.593 . 0 0 "[ . 1 . 2]" 1
671 1 36 VAL QG 1 38 LEU H . . 4.780 4.294 4.174 4.437 . 0 0 "[ . 1 . 2]" 1
672 1 36 VAL QG 1 38 LEU HA . . 5.440 4.373 4.201 4.488 . 0 0 "[ . 1 . 2]" 1
673 1 36 VAL QG 1 77 TRP H . . 4.610 4.633 4.399 4.825 0.215 14 0 "[ . 1 . 2]" 1
674 1 36 VAL QG 1 77 TRP HE3 . . 5.440 4.582 4.313 4.914 . 0 0 "[ . 1 . 2]" 1
675 1 36 VAL QG 1 78 ASN H . . 3.730 3.489 3.134 3.706 . 0 0 "[ . 1 . 2]" 1
676 1 36 VAL MG1 1 77 TRP HA . . 4.140 3.623 3.385 3.856 . 0 0 "[ . 1 . 2]" 1
677 1 36 VAL MG1 1 77 TRP QB . . 3.990 2.753 2.510 3.055 . 0 0 "[ . 1 . 2]" 1
678 1 36 VAL MG2 1 77 TRP HA . . 4.140 3.229 2.916 3.458 . 0 0 "[ . 1 . 2]" 1
679 1 36 VAL MG2 1 77 TRP QB . . 3.990 2.324 2.088 2.620 . 0 0 "[ . 1 . 2]" 1
680 1 37 SER H 1 37 SER QB . . 3.110 2.580 2.492 2.658 . 0 0 "[ . 1 . 2]" 1
681 1 37 SER H 1 62 VAL QG . . 5.300 5.076 4.908 5.316 0.016 15 0 "[ . 1 . 2]" 1
682 1 37 SER H 1 75 VAL HA . . 5.040 4.638 4.468 4.772 . 0 0 "[ . 1 . 2]" 1
683 1 37 SER H 1 75 VAL QG . . 4.350 3.691 3.254 3.998 . 0 0 "[ . 1 . 2]" 1
684 1 37 SER H 1 76 VAL HB . . 4.030 3.561 3.252 3.847 . 0 0 "[ . 1 . 2]" 1
685 1 37 SER H 1 77 TRP HA . . 3.860 3.477 3.138 3.661 . 0 0 "[ . 1 . 2]" 1
686 1 37 SER H 1 77 TRP QB . . 5.030 4.098 3.762 4.279 . 0 0 "[ . 1 . 2]" 1
687 1 37 SER HA 1 38 LEU H . . 2.750 2.218 2.147 2.264 . 0 0 "[ . 1 . 2]" 1
688 1 37 SER HA 1 38 LEU HA . . 4.650 4.471 4.367 4.524 . 0 0 "[ . 1 . 2]" 1
689 1 37 SER HA 1 38 LEU QB . . 4.710 3.894 3.805 4.009 . 0 0 "[ . 1 . 2]" 1
690 1 37 SER HA 1 47 ILE MD . . 3.730 3.497 2.281 4.530 0.800 2 3 "[ + . *1 -. 2]" 1
691 1 37 SER QB 1 38 LEU QB . . 5.180 4.695 4.570 5.091 . 0 0 "[ . 1 . 2]" 1
692 1 37 SER QB 1 76 VAL H . . 4.500 3.407 3.001 3.651 . 0 0 "[ . 1 . 2]" 1
693 1 37 SER QB 1 76 VAL HB . . 3.780 2.423 2.035 2.787 . 0 0 "[ . 1 . 2]" 1
694 1 37 SER QB 1 76 VAL QG . . 4.490 3.224 2.917 3.455 . 0 0 "[ . 1 . 2]" 1
695 1 37 SER HB2 1 38 LEU H . . 4.340 4.010 3.942 4.130 . 0 0 "[ . 1 . 2]" 1
696 1 37 SER HB3 1 38 LEU H . . 4.340 3.090 2.826 4.070 . 0 0 "[ . 1 . 2]" 1
697 1 38 LEU H 1 38 LEU HB2 . . 3.460 3.124 3.065 3.206 . 0 0 "[ . 1 . 2]" 1
698 1 38 LEU H 1 38 LEU HB3 . . 3.460 2.598 2.538 2.687 . 0 0 "[ . 1 . 2]" 1
699 1 38 LEU H 1 38 LEU MD1 . . 4.800 4.487 4.443 4.525 . 0 0 "[ . 1 . 2]" 1
700 1 38 LEU H 1 38 LEU MD2 . . 4.800 4.459 4.387 4.554 . 0 0 "[ . 1 . 2]" 1
701 1 38 LEU H 1 38 LEU HG . . 4.780 4.478 4.427 4.534 . 0 0 "[ . 1 . 2]" 1
702 1 38 LEU H 1 44 GLU QG . . 5.500 4.148 3.095 4.659 . 0 0 "[ . 1 . 2]" 1
703 1 38 LEU H 1 45 VAL HB . . 4.560 4.511 4.102 4.989 0.429 9 0 "[ . 1 . 2]" 1
704 1 38 LEU H 1 47 ILE MD . . 3.640 3.145 2.318 3.931 0.291 9 0 "[ . 1 . 2]" 1
705 1 38 LEU H 1 47 ILE QG . . 4.880 3.613 3.164 4.035 . 0 0 "[ . 1 . 2]" 1
706 1 38 LEU HA 1 38 LEU MD1 . . 4.300 2.284 2.202 2.377 . 0 0 "[ . 1 . 2]" 1
707 1 38 LEU HA 1 38 LEU MD2 . . 4.300 3.956 3.918 3.986 . 0 0 "[ . 1 . 2]" 1
708 1 38 LEU HA 1 38 LEU HG . . 3.860 3.245 3.190 3.299 . 0 0 "[ . 1 . 2]" 1
709 1 38 LEU HA 1 39 SER H . . 2.750 2.253 2.198 2.340 . 0 0 "[ . 1 . 2]" 1
710 1 38 LEU HA 1 39 SER HA . . 4.630 4.439 4.400 4.497 . 0 0 "[ . 1 . 2]" 1
711 1 38 LEU HA 1 39 SER QB . . 4.630 4.362 4.031 4.491 . 0 0 "[ . 1 . 2]" 1
712 1 38 LEU HA 1 45 VAL HB . . 5.500 5.017 4.777 5.402 . 0 0 "[ . 1 . 2]" 1
713 1 38 LEU HA 1 74 LYS H . . 5.250 4.505 4.294 4.642 . 0 0 "[ . 1 . 2]" 1
714 1 38 LEU HA 1 75 VAL HA . . 3.520 2.610 2.465 2.750 . 0 0 "[ . 1 . 2]" 1
715 1 38 LEU HA 1 75 VAL MG1 . . 4.560 3.856 3.569 4.161 . 0 0 "[ . 1 . 2]" 1
716 1 38 LEU HA 1 75 VAL MG2 . . 4.560 3.362 2.935 3.737 . 0 0 "[ . 1 . 2]" 1
717 1 38 LEU HA 1 76 VAL H . . 3.930 3.649 3.492 3.804 . 0 0 "[ . 1 . 2]" 1
718 1 38 LEU QB 1 38 LEU QD . . 2.770 1.948 1.908 1.984 . 0 0 "[ . 1 . 2]" 1
719 1 38 LEU QB 1 45 VAL HB . . 4.530 2.744 2.523 3.194 . 0 0 "[ . 1 . 2]" 1
720 1 38 LEU QB 1 45 VAL QG . . 4.420 3.437 3.251 3.760 . 0 0 "[ . 1 . 2]" 1
721 1 38 LEU QB 1 47 ILE QG . . 4.530 3.129 2.613 3.532 . 0 0 "[ . 1 . 2]" 1
722 1 38 LEU HB2 1 39 SER H . . 4.860 4.295 4.239 4.359 . 0 0 "[ . 1 . 2]" 1
723 1 38 LEU HB2 1 47 ILE MD . . 3.800 2.445 2.120 3.193 . 0 0 "[ . 1 . 2]" 1
724 1 38 LEU HB3 1 39 SER H . . 4.860 4.154 4.062 4.193 . 0 0 "[ . 1 . 2]" 1
725 1 38 LEU HB3 1 47 ILE MD . . 3.800 2.434 2.020 2.874 . 0 0 "[ . 1 . 2]" 1
726 1 38 LEU QD 1 39 SER HA . . 4.980 4.307 4.159 4.435 . 0 0 "[ . 1 . 2]" 1
727 1 38 LEU QD 1 39 SER QB . . 5.220 4.664 4.417 4.843 . 0 0 "[ . 1 . 2]" 1
728 1 38 LEU QD 1 40 LYS HA . . 4.930 4.942 4.756 5.190 0.260 16 0 "[ . 1 . 2]" 1
729 1 38 LEU QD 1 40 LYS QD . . 5.440 5.639 4.565 6.445 1.005 8 7 "[* * +-1 * *. * 2]" 1
730 1 38 LEU QD 1 45 VAL H . . 5.440 4.324 4.110 4.518 . 0 0 "[ . 1 . 2]" 1
731 1 38 LEU QD 1 45 VAL HB . . 4.600 2.655 2.394 2.952 . 0 0 "[ . 1 . 2]" 1
732 1 38 LEU QD 1 45 VAL QG . . 2.830 2.559 2.341 2.936 0.106 9 0 "[ . 1 . 2]" 1
733 1 38 LEU QD 1 68 LEU QD . . 3.290 2.083 1.823 2.345 . 0 0 "[ . 1 . 2]" 1
734 1 38 LEU QD 1 68 LEU HG . . 4.550 4.085 3.668 4.609 0.059 9 0 "[ . 1 . 2]" 1
735 1 38 LEU QD 1 73 TYR HA . . 4.610 4.160 3.994 4.350 . 0 0 "[ . 1 . 2]" 1
736 1 38 LEU QD 1 73 TYR QB . . 3.350 2.345 2.178 2.603 . 0 0 "[ . 1 . 2]" 1
737 1 38 LEU QD 1 74 LYS H . . 3.820 3.328 3.046 3.487 . 0 0 "[ . 1 . 2]" 1
738 1 38 LEU QD 1 75 VAL HA . . 3.630 3.085 2.931 3.259 . 0 0 "[ . 1 . 2]" 1
739 1 38 LEU QD 1 75 VAL QG . . 2.740 1.943 1.836 2.068 . 0 0 "[ . 1 . 2]" 1
740 1 38 LEU QD 1 76 VAL H . . 4.560 4.636 4.406 4.828 0.268 18 0 "[ . 1 . 2]" 1
741 1 38 LEU QD 1 93 PHE QD . . 4.880 4.469 4.095 4.737 . 0 0 "[ . 1 . 2]" 1
742 1 38 LEU MD1 1 39 SER H . . 4.260 2.559 2.429 2.697 . 0 0 "[ . 1 . 2]" 1
743 1 38 LEU MD1 1 73 TYR QD . . 3.790 2.772 2.354 3.026 . 0 0 "[ . 1 . 2]" 1
744 1 38 LEU MD2 1 39 SER H . . 4.260 4.539 4.402 4.634 0.374 13 0 "[ . 1 . 2]" 1
745 1 38 LEU MD2 1 73 TYR QD . . 3.790 3.498 3.052 3.742 . 0 0 "[ . 1 . 2]" 1
746 1 38 LEU HG 1 39 SER H . . 3.730 3.107 2.931 3.212 . 0 0 "[ . 1 . 2]" 1
747 1 38 LEU HG 1 39 SER QB . . 5.340 5.100 4.893 5.246 . 0 0 "[ . 1 . 2]" 1
748 1 38 LEU HG 1 40 LYS HA . . 5.150 5.441 5.213 5.923 0.773 16 2 "[ - 1 .+ 2]" 1
749 1 38 LEU HG 1 40 LYS QB . . 4.740 4.536 4.149 4.920 0.180 13 0 "[ . 1 . 2]" 1
750 1 38 LEU HG 1 45 VAL H . . 4.950 4.213 3.950 4.451 . 0 0 "[ . 1 . 2]" 1
751 1 38 LEU HG 1 45 VAL HB . . 3.840 2.754 2.556 3.075 . 0 0 "[ . 1 . 2]" 1
752 1 38 LEU HG 1 45 VAL QG . . 3.220 2.983 2.524 3.441 0.221 9 0 "[ . 1 . 2]" 1
753 1 38 LEU HG 1 73 TYR QB . . 5.110 3.865 3.475 4.206 . 0 0 "[ . 1 . 2]" 1
754 1 38 LEU HG 1 73 TYR QD . . 3.930 2.916 2.669 3.150 . 0 0 "[ . 1 . 2]" 1
755 1 38 LEU HG 1 75 VAL QG . . 5.250 4.294 4.109 4.495 . 0 0 "[ . 1 . 2]" 1
756 1 39 SER H 1 39 SER HB2 . . 3.990 3.372 2.705 3.963 . 0 0 "[ . 1 . 2]" 1
757 1 39 SER H 1 39 SER HB3 . . 3.990 3.505 2.836 3.893 . 0 0 "[ . 1 . 2]" 1
758 1 39 SER H 1 45 VAL H . . 4.720 4.723 4.599 4.791 0.071 17 0 "[ . 1 . 2]" 1
759 1 39 SER H 1 73 TYR QB . . 4.630 3.906 3.619 4.218 . 0 0 "[ . 1 . 2]" 1
760 1 39 SER H 1 73 TYR QD . . 4.510 4.044 3.794 4.418 . 0 0 "[ . 1 . 2]" 1
761 1 39 SER H 1 75 VAL QG . . 4.610 4.106 3.862 4.351 . 0 0 "[ . 1 . 2]" 1
762 1 39 SER H 1 76 VAL H . . 5.310 5.126 4.864 5.369 0.059 13 0 "[ . 1 . 2]" 1
763 1 39 SER H 1 76 VAL QG . . 5.440 4.979 4.628 5.212 . 0 0 "[ . 1 . 2]" 1
764 1 39 SER HA 1 40 LYS H . . 2.720 2.212 2.097 2.310 . 0 0 "[ . 1 . 2]" 1
765 1 39 SER HA 1 40 LYS QB . . 5.340 4.069 3.742 4.402 . 0 0 "[ . 1 . 2]" 1
766 1 39 SER HA 1 43 THR H . . 4.260 4.235 4.116 4.461 0.201 2 0 "[ . 1 . 2]" 1
767 1 39 SER HA 1 44 GLU HA . . 3.060 2.296 2.125 2.555 . 0 0 "[ . 1 . 2]" 1
768 1 39 SER HA 1 44 GLU QG . . 5.340 4.060 3.811 4.263 . 0 0 "[ . 1 . 2]" 1
769 1 39 SER HA 1 45 VAL H . . 3.260 2.786 2.528 2.911 . 0 0 "[ . 1 . 2]" 1
770 1 39 SER HA 1 45 VAL HB . . 5.500 3.806 3.566 4.173 . 0 0 "[ . 1 . 2]" 1
771 1 39 SER HA 1 45 VAL QG . . 3.240 2.510 2.279 2.884 . 0 0 "[ . 1 . 2]" 1
772 1 39 SER HA 1 74 LYS H . . 4.880 4.803 4.661 4.954 0.074 11 0 "[ . 1 . 2]" 1
773 1 39 SER QB 1 42 GLY H . . 4.690 3.247 2.940 3.794 . 0 0 "[ . 1 . 2]" 1
774 1 39 SER QB 1 42 GLY HA2 . . 4.210 3.208 2.799 3.958 . 0 0 "[ . 1 . 2]" 1
775 1 39 SER QB 1 43 THR H . . 3.840 3.001 2.720 4.201 0.361 10 0 "[ . 1 . 2]" 1
776 1 39 SER QB 1 44 GLU HA . . 3.910 2.937 2.233 3.449 . 0 0 "[ . 1 . 2]" 1
777 1 39 SER QB 1 45 VAL H . . 4.690 4.277 3.723 4.778 0.088 1 0 "[ . 1 . 2]" 1
778 1 39 SER QB 1 45 VAL QG . . 4.330 4.087 3.866 4.483 0.153 1 0 "[ . 1 . 2]" 1
779 1 39 SER HB2 1 40 LYS H . . 4.550 3.316 2.529 4.027 . 0 0 "[ . 1 . 2]" 1
780 1 39 SER HB3 1 40 LYS H . . 4.550 3.414 2.744 4.028 . 0 0 "[ . 1 . 2]" 1
781 1 40 LYS H 1 40 LYS QB . . 3.480 2.683 2.349 3.148 . 0 0 "[ . 1 . 2]" 1
782 1 40 LYS H 1 41 ASP QB . . 5.340 4.966 4.738 5.241 . 0 0 "[ . 1 . 2]" 1
783 1 40 LYS H 1 43 THR HB . . 4.650 3.616 3.419 3.838 . 0 0 "[ . 1 . 2]" 1
784 1 40 LYS H 1 43 THR MG . . 4.050 4.439 4.293 4.539 0.489 2 0 "[ . 1 . 2]" 1
785 1 40 LYS H 1 44 GLU HA . . 4.350 3.781 3.537 4.019 . 0 0 "[ . 1 . 2]" 1
786 1 40 LYS H 1 45 VAL QG . . 3.080 2.608 2.418 3.078 . 0 0 "[ . 1 . 2]" 1
787 1 40 LYS H 1 68 LEU QD . . 5.170 6.036 5.643 6.470 1.300 2 19 "[*+******** *-*******]" 1
788 1 40 LYS H 1 73 TYR QE . . 5.100 5.008 4.532 5.506 0.406 4 0 "[ . 1 . 2]" 1
789 1 40 LYS HA 1 41 ASP H . . 3.110 2.191 2.115 2.262 . 0 0 "[ . 1 . 2]" 1
790 1 40 LYS HA 1 43 THR MG . . 5.500 6.614 6.450 6.809 1.309 5 20 [****+*************-*] 1
791 1 40 LYS HA 1 68 LEU QD . . 4.360 5.446 4.893 6.142 1.782 16 20 [**********-****+****] 1
792 1 40 LYS HA 1 73 TYR HA . . 3.460 2.653 2.298 3.306 . 0 0 "[ . 1 . 2]" 1
793 1 40 LYS HA 1 73 TYR QD . . 5.230 3.274 2.931 3.969 . 0 0 "[ . 1 . 2]" 1
794 1 40 LYS HA 1 74 LYS H . . 4.550 3.947 3.431 4.418 . 0 0 "[ . 1 . 2]" 1
795 1 40 LYS QB 1 40 LYS QD . . 3.470 2.215 2.031 2.409 . 0 0 "[ . 1 . 2]" 1
796 1 40 LYS QB 1 41 ASP QB . . 4.300 3.970 3.687 4.188 . 0 0 "[ . 1 . 2]" 1
797 1 40 LYS QB 1 43 THR HB . . 4.940 4.105 3.132 5.148 0.208 4 0 "[ . 1 . 2]" 1
798 1 40 LYS QB 1 68 LEU HA . . 5.440 5.728 5.301 6.313 0.873 16 5 "[ - *** 1 .+ 2]" 1
799 1 40 LYS QB 1 68 LEU QD . . 3.320 4.008 3.599 4.342 1.022 2 17 "[ +***-**** ******* *]" 1
800 1 40 LYS QB 1 69 ALA H . . 5.250 5.479 4.926 5.994 0.744 6 4 "[ - *.+ 1 .* 2]" 1
801 1 40 LYS QB 1 73 TYR QE . . 4.040 2.261 1.983 2.634 . 0 0 "[ . 1 . 2]" 1
802 1 40 LYS HB2 1 43 THR H . . 5.400 5.115 4.939 5.317 . 0 0 "[ . 1 . 2]" 1
803 1 40 LYS HB3 1 43 THR H . . 5.400 4.553 3.786 5.360 . 0 0 "[ . 1 . 2]" 1
804 1 41 ASP H 1 43 THR MG . . 5.500 7.009 6.843 7.175 1.675 4 20 [***+***************-] 1
805 1 41 ASP H 1 74 LYS H . . 4.850 4.808 4.468 5.332 0.482 16 0 "[ . 1 . 2]" 1
806 1 41 ASP HA 1 42 GLY H . . 3.500 2.931 2.858 3.042 . 0 0 "[ . 1 . 2]" 1
807 1 41 ASP HA 1 72 ASN H . . 4.870 5.228 4.393 6.071 1.201 16 8 "[** -.* 1 * *+ * 2]" 1
808 1 41 ASP HA 1 72 ASN QB . . 5.500 4.182 3.413 5.339 . 0 0 "[ . 1 . 2]" 1
809 1 41 ASP QB 1 43 THR H . . 4.430 3.809 3.604 4.058 . 0 0 "[ . 1 . 2]" 1
810 1 42 GLY HA2 1 43 THR HA . . 4.820 4.513 4.439 4.560 . 0 0 "[ . 1 . 2]" 1
811 1 42 GLY HA3 1 43 THR HA . . 4.830 4.583 4.514 4.655 . 0 0 "[ . 1 . 2]" 1
812 1 43 THR H 1 43 THR HB . . 2.920 2.685 2.579 2.761 . 0 0 "[ . 1 . 2]" 1
813 1 43 THR H 1 43 THR MG . . 4.070 3.876 3.832 3.913 . 0 0 "[ . 1 . 2]" 1
814 1 43 THR H 1 45 VAL QG . . 4.650 4.669 4.433 4.891 0.241 16 0 "[ . 1 . 2]" 1
815 1 43 THR HA 1 43 THR MG . . 3.220 2.372 2.288 2.442 . 0 0 "[ . 1 . 2]" 1
816 1 43 THR HA 1 44 GLU H . . 2.950 2.245 2.155 2.344 . 0 0 "[ . 1 . 2]" 1
817 1 43 THR HA 1 44 GLU HA . . 4.650 4.432 4.378 4.493 . 0 0 "[ . 1 . 2]" 1
818 1 43 THR HA 1 44 GLU QB . . 4.190 4.432 4.056 4.668 0.478 13 0 "[ . 1 . 2]" 1
819 1 43 THR HA 1 44 GLU QG . . 5.340 4.423 3.760 5.879 0.539 20 1 "[ . 1 . +]" 1
820 1 43 THR HB 1 44 GLU H . . 4.580 4.243 4.198 4.299 . 0 0 "[ . 1 . 2]" 1
821 1 43 THR HB 1 45 VAL QG . . 5.180 4.254 3.910 4.795 . 0 0 "[ . 1 . 2]" 1
822 1 43 THR MG 1 44 GLU H . . 3.680 2.791 2.722 2.863 . 0 0 "[ . 1 . 2]" 1
823 1 43 THR MG 1 44 GLU HA . . 4.480 4.352 4.243 4.424 . 0 0 "[ . 1 . 2]" 1
824 1 43 THR MG 1 44 GLU HB2 . . 5.010 4.244 3.928 4.766 . 0 0 "[ . 1 . 2]" 1
825 1 43 THR MG 1 44 GLU HB3 . . 5.010 4.843 3.961 5.257 0.247 13 0 "[ . 1 . 2]" 1
826 1 43 THR MG 1 45 VAL HA . . 4.230 4.701 4.423 4.937 0.707 12 11 "[ *-. * ***+*** * 2]" 1
827 1 43 THR MG 1 45 VAL QG . . 3.410 4.027 3.731 4.595 1.185 13 14 "[****.** ***+-. ***2]" 1
828 1 44 GLU H 1 44 GLU HB2 . . 3.770 2.491 2.376 2.571 . 0 0 "[ . 1 . 2]" 1
829 1 44 GLU H 1 44 GLU HB3 . . 3.770 3.347 2.515 3.637 . 0 0 "[ . 1 . 2]" 1
830 1 44 GLU H 1 44 GLU QG . . 3.910 2.735 2.168 4.018 0.108 20 0 "[ . 1 . 2]" 1
831 1 44 GLU HA 1 45 VAL H . . 2.690 2.163 2.075 2.248 . 0 0 "[ . 1 . 2]" 1
832 1 44 GLU HA 1 45 VAL QG . . 3.750 3.444 3.310 3.600 . 0 0 "[ . 1 . 2]" 1
833 1 44 GLU QB 1 45 VAL H . . 4.220 2.984 2.718 3.664 . 0 0 "[ . 1 . 2]" 1
834 1 44 GLU QG 1 45 VAL QG . . 4.850 4.794 4.090 5.092 0.242 15 0 "[ . 1 . 2]" 1
835 1 45 VAL H 1 45 VAL HB . . 3.880 2.568 2.473 2.650 . 0 0 "[ . 1 . 2]" 1
836 1 45 VAL H 1 45 VAL MG1 . . 3.980 3.854 3.803 3.891 . 0 0 "[ . 1 . 2]" 1
837 1 45 VAL H 1 45 VAL MG2 . . 3.980 2.713 2.358 2.886 . 0 0 "[ . 1 . 2]" 1
838 1 45 VAL H 1 46 ALA H . . 4.680 4.449 4.375 4.582 . 0 0 "[ . 1 . 2]" 1
839 1 45 VAL HA 1 45 VAL MG1 . . 3.300 2.470 2.413 2.542 . 0 0 "[ . 1 . 2]" 1
840 1 45 VAL HA 1 45 VAL MG2 . . 3.300 2.450 2.406 2.506 . 0 0 "[ . 1 . 2]" 1
841 1 45 VAL HA 1 46 ALA H . . 2.620 2.234 2.159 2.288 . 0 0 "[ . 1 . 2]" 1
842 1 45 VAL HA 1 46 ALA MB . . 4.120 4.004 3.931 4.118 . 0 0 "[ . 1 . 2]" 1
843 1 45 VAL HB 1 46 ALA H . . 3.870 4.166 4.092 4.250 0.380 15 0 "[ . 1 . 2]" 1
844 1 45 VAL HB 1 46 ALA HA . . 5.500 5.288 5.122 5.403 . 0 0 "[ . 1 . 2]" 1
845 1 45 VAL HB 1 46 ALA MB . . 5.500 5.392 5.331 5.499 . 0 0 "[ . 1 . 2]" 1
846 1 45 VAL HB 1 47 ILE MD . . 4.060 4.189 3.248 5.334 1.274 5 6 "[ *-+ 1* * *]" 1
847 1 45 VAL HB 1 65 ALA H . . 5.500 5.838 5.493 6.260 0.760 15 2 "[ - . 1 + 2]" 1
848 1 45 VAL HB 1 66 ALA MB . . 4.870 5.945 4.910 6.991 2.121 20 17 "[** *** * **-*******+]" 1
849 1 45 VAL QG 1 46 ALA HA . . 4.510 4.127 4.022 4.199 . 0 0 "[ . 1 . 2]" 1
850 1 45 VAL QG 1 46 ALA MB . . 4.450 3.524 3.437 3.663 . 0 0 "[ . 1 . 2]" 1
851 1 45 VAL QG 1 47 ILE H . . 5.080 4.999 4.834 5.145 0.065 5 0 "[ . 1 . 2]" 1
852 1 45 VAL QG 1 47 ILE MD . . 3.440 3.825 2.985 5.017 1.577 5 7 "[ **+ 1* * - *]" 1
853 1 45 VAL QG 1 64 PRO QB . . 4.410 3.422 2.933 3.916 . 0 0 "[ . 1 . 2]" 1
854 1 45 VAL QG 1 65 ALA H . . 4.180 3.498 3.183 3.900 . 0 0 "[ . 1 . 2]" 1
855 1 45 VAL QG 1 66 ALA H . . 4.430 3.728 3.316 4.175 . 0 0 "[ . 1 . 2]" 1
856 1 45 VAL QG 1 66 ALA HA . . 5.180 5.374 4.747 6.169 0.989 20 4 "[ .* 1 .-* +]" 1
857 1 45 VAL QG 1 68 LEU H . . 5.440 5.775 5.438 6.102 0.662 8 5 "[ ** + 1 . * -]" 1
858 1 45 VAL QG 1 68 LEU QD . . 2.870 2.526 2.144 2.937 0.067 5 0 "[ . 1 . 2]" 1
859 1 45 VAL QG 1 73 TYR QE . . 3.720 2.605 2.240 3.040 . 0 0 "[ . 1 . 2]" 1
860 1 45 VAL MG1 1 46 ALA H . . 4.320 2.623 2.508 2.750 . 0 0 "[ . 1 . 2]" 1
861 1 45 VAL MG2 1 46 ALA H . . 4.320 4.068 3.994 4.118 . 0 0 "[ . 1 . 2]" 1
862 1 46 ALA H 1 46 ALA MB . . 2.680 2.188 2.142 2.264 . 0 0 "[ . 1 . 2]" 1
863 1 46 ALA H 1 47 ILE H . . 4.840 4.649 4.606 4.683 . 0 0 "[ . 1 . 2]" 1
864 1 46 ALA H 1 47 ILE MD . . 4.790 5.403 4.858 6.249 1.459 5 7 "[ **+ 1* * - *]" 1
865 1 46 ALA H 1 65 ALA MB . . 4.560 3.872 3.513 4.404 . 0 0 "[ . 1 . 2]" 1
866 1 46 ALA HA 1 47 ILE H . . 2.590 2.229 2.146 2.302 . 0 0 "[ . 1 . 2]" 1
867 1 46 ALA HA 1 47 ILE MD . . 4.380 4.441 4.211 4.785 0.405 11 0 "[ . 1 . 2]" 1
868 1 46 ALA HA 1 47 ILE QG . . 4.500 3.451 3.360 3.558 . 0 0 "[ . 1 . 2]" 1
869 1 46 ALA HA 1 65 ALA MB . . 4.350 4.023 3.862 4.120 . 0 0 "[ . 1 . 2]" 1
870 1 46 ALA HA 1 66 ALA MB . . 5.310 6.414 5.304 7.444 2.134 6 16 "[* **+ *-******** **]" 1
871 1 46 ALA MB 1 47 ILE H . . 3.200 2.742 2.657 2.856 . 0 0 "[ . 1 . 2]" 1
872 1 46 ALA MB 1 65 ALA H . . 4.280 3.757 3.533 4.063 . 0 0 "[ . 1 . 2]" 1
873 1 47 ILE H 1 47 ILE HB . . 3.140 2.615 2.523 2.695 . 0 0 "[ . 1 . 2]" 1
874 1 47 ILE H 1 47 ILE MD . . 3.690 3.832 3.652 4.047 0.357 15 0 "[ . 1 . 2]" 1
875 1 47 ILE H 1 47 ILE QG . . 3.460 2.802 2.651 2.925 . 0 0 "[ . 1 . 2]" 1
876 1 47 ILE H 1 47 ILE MG . . 3.990 3.865 3.804 3.894 . 0 0 "[ . 1 . 2]" 1
877 1 47 ILE H 1 65 ALA H . . 4.460 4.616 4.329 4.869 0.409 9 0 "[ . 1 . 2]" 1
878 1 47 ILE H 1 65 ALA MB . . 3.780 3.608 3.299 3.876 0.096 6 0 "[ . 1 . 2]" 1
879 1 47 ILE HA 1 47 ILE QG . . 3.480 2.814 2.413 3.048 . 0 0 "[ . 1 . 2]" 1
880 1 47 ILE HA 1 47 ILE MG . . 3.390 2.450 2.408 2.498 . 0 0 "[ . 1 . 2]" 1
881 1 47 ILE HA 1 48 LYS H . . 2.900 2.251 2.191 2.296 . 0 0 "[ . 1 . 2]" 1
882 1 47 ILE HA 1 49 GLY H . . 4.620 4.013 3.784 4.125 . 0 0 "[ . 1 . 2]" 1
883 1 47 ILE HA 1 62 VAL QG . . 4.860 4.264 4.105 4.524 . 0 0 "[ . 1 . 2]" 1
884 1 47 ILE HA 1 64 PRO HA . . 2.940 2.502 2.377 2.745 . 0 0 "[ . 1 . 2]" 1
885 1 47 ILE HA 1 64 PRO QB . . 4.860 4.278 4.131 4.477 . 0 0 "[ . 1 . 2]" 1
886 1 47 ILE HA 1 65 ALA H . . 3.100 2.753 2.480 3.002 . 0 0 "[ . 1 . 2]" 1
887 1 47 ILE HA 1 65 ALA HA . . 4.470 4.582 4.280 4.843 0.373 9 0 "[ . 1 . 2]" 1
888 1 47 ILE HA 1 65 ALA MB . . 3.440 3.261 2.972 3.598 0.158 6 0 "[ . 1 . 2]" 1
889 1 47 ILE HA 1 66 ALA H . . 4.990 5.198 4.847 5.564 0.574 6 3 "[ .+ - 1 .* 2]" 1
890 1 47 ILE HB 1 48 LYS H . . 4.240 4.265 4.182 4.337 0.097 10 0 "[ . 1 . 2]" 1
891 1 47 ILE HB 1 49 GLY H . . 4.770 4.224 3.913 4.446 . 0 0 "[ . 1 . 2]" 1
892 1 47 ILE HB 1 64 PRO HA . . 5.390 5.309 5.007 5.586 0.196 16 0 "[ . 1 . 2]" 1
893 1 47 ILE MD 1 64 PRO HA . . 4.580 3.281 2.205 5.168 0.588 20 1 "[ . 1 . +]" 1
894 1 47 ILE MD 1 64 PRO QB . . 4.820 4.024 3.028 5.901 1.081 20 4 "[ *-. 1 . * +]" 1
895 1 47 ILE QG 1 62 VAL QG . . 3.880 3.309 3.075 3.434 . 0 0 "[ . 1 . 2]" 1
896 1 47 ILE HG12 1 47 ILE MG . . 3.430 2.926 2.330 3.256 . 0 0 "[ . 1 . 2]" 1
897 1 47 ILE HG13 1 47 ILE MG . . 3.430 2.632 2.262 3.255 . 0 0 "[ . 1 . 2]" 1
898 1 47 ILE MG 1 48 LYS H . . 3.220 2.754 2.647 2.866 . 0 0 "[ . 1 . 2]" 1
899 1 47 ILE MG 1 48 LYS HA . . 4.440 4.312 4.217 4.395 . 0 0 "[ . 1 . 2]" 1
900 1 47 ILE MG 1 49 GLY H . . 3.190 2.051 1.744 2.272 . 0 0 "[ . 1 . 2]" 1
901 1 47 ILE MG 1 49 GLY HA2 . . 4.020 3.123 2.825 3.447 . 0 0 "[ . 1 . 2]" 1
902 1 47 ILE MG 1 49 GLY HA3 . . 4.380 4.073 3.893 4.227 . 0 0 "[ . 1 . 2]" 1
903 1 47 ILE MG 1 50 LEU H . . 5.030 4.564 4.295 4.777 . 0 0 "[ . 1 . 2]" 1
904 1 47 ILE MG 1 50 LEU QB . . 4.070 3.477 3.207 3.784 . 0 0 "[ . 1 . 2]" 1
905 1 47 ILE MG 1 62 VAL HA . . 4.360 3.718 3.384 3.891 . 0 0 "[ . 1 . 2]" 1
906 1 47 ILE MG 1 64 PRO HA . . 3.600 3.356 2.969 3.623 0.023 16 0 "[ . 1 . 2]" 1
907 1 47 ILE MG 1 65 ALA H . . 4.330 4.591 4.293 4.839 0.509 14 1 "[ . 1 +. 2]" 1
908 1 48 LYS H 1 48 LYS HB2 . . 3.960 2.447 2.246 2.562 . 0 0 "[ . 1 . 2]" 1
909 1 48 LYS H 1 48 LYS HB3 . . 3.110 2.564 2.483 2.623 . 0 0 "[ . 1 . 2]" 1
910 1 48 LYS H 1 64 PRO HA . . 4.570 3.212 3.076 3.388 . 0 0 "[ . 1 . 2]" 1
911 1 48 LYS H 1 64 PRO QB . . 5.500 4.882 4.772 5.106 . 0 0 "[ . 1 . 2]" 1
912 1 48 LYS H 1 65 ALA HA . . 4.050 3.651 3.244 3.986 . 0 0 "[ . 1 . 2]" 1
913 1 48 LYS H 1 65 ALA MB . . 3.630 3.190 2.650 3.723 0.093 6 0 "[ . 1 . 2]" 1
914 1 48 LYS HA 1 48 LYS QG . . 3.590 2.714 2.389 2.986 . 0 0 "[ . 1 . 2]" 1
915 1 48 LYS HA 1 65 ALA HA . . 4.780 4.106 3.685 4.595 . 0 0 "[ . 1 . 2]" 1
916 1 48 LYS HA 1 65 ALA MB . . 4.180 3.204 2.628 3.844 . 0 0 "[ . 1 . 2]" 1
917 1 48 LYS HB2 1 49 GLY H . . 4.350 3.887 3.752 3.973 . 0 0 "[ . 1 . 2]" 1
918 1 48 LYS HB2 1 63 THR HB . . 3.910 3.759 3.065 4.376 0.466 11 0 "[ . 1 . 2]" 1
919 1 48 LYS HB2 1 65 ALA H . . 5.500 4.457 3.916 4.710 . 0 0 "[ . 1 . 2]" 1
920 1 48 LYS HB2 1 65 ALA HA . . 3.560 2.769 2.052 3.311 . 0 0 "[ . 1 . 2]" 1
921 1 48 LYS HB2 1 65 ALA MB . . 3.500 3.380 2.669 3.888 0.388 16 0 "[ . 1 . 2]" 1
922 1 48 LYS HB3 1 49 GLY H . . 3.240 2.690 2.545 2.898 . 0 0 "[ . 1 . 2]" 1
923 1 48 LYS HB3 1 63 THR HB . . 3.630 2.397 2.011 2.836 . 0 0 "[ . 1 . 2]" 1
924 1 48 LYS QE 1 48 LYS QG . . 3.330 2.349 2.190 2.797 . 0 0 "[ . 1 . 2]" 1
925 1 48 LYS QE 1 63 THR HB . . 4.960 4.442 3.220 5.129 0.169 5 0 "[ . 1 . 2]" 1
926 1 48 LYS QE 1 65 ALA H . . 5.500 5.303 4.458 6.020 0.520 10 1 "[ . + . 2]" 1
927 1 48 LYS QE 1 65 ALA HA . . 4.050 2.939 2.058 4.072 0.022 10 0 "[ . 1 . 2]" 1
928 1 48 LYS QE 1 65 ALA MB . . 4.520 3.843 2.916 4.906 0.386 10 0 "[ . 1 . 2]" 1
929 1 48 LYS QG 1 49 GLY H . . 3.760 3.885 3.742 4.124 0.364 16 0 "[ . 1 . 2]" 1
930 1 48 LYS QG 1 49 GLY HA3 . . 4.280 3.918 3.706 4.308 0.028 16 0 "[ . 1 . 2]" 1
931 1 48 LYS QG 1 63 THR HB . . 3.230 3.837 3.119 4.481 1.251 11 11 "[ * -* ***+ *** * 2]" 1
932 1 49 GLY H 1 63 THR HB . . 3.610 3.431 2.917 4.104 0.494 1 0 "[ . 1 . 2]" 1
933 1 49 GLY HA2 1 50 LEU H . . 2.780 2.679 2.568 2.857 0.077 1 0 "[ . 1 . 2]" 1
934 1 49 GLY HA2 1 50 LEU QB . . 4.600 4.222 4.053 4.361 . 0 0 "[ . 1 . 2]" 1
935 1 49 GLY HA2 1 50 LEU HG . . 5.500 5.616 5.460 5.829 0.329 1 0 "[ . 1 . 2]" 1
936 1 49 GLY HA3 1 50 LEU H . . 3.490 2.520 2.413 2.623 . 0 0 "[ . 1 . 2]" 1
937 1 50 LEU H 1 50 LEU QB . . 2.970 3.224 3.169 3.273 0.303 13 0 "[ . 1 . 2]" 1
938 1 50 LEU H 1 50 LEU HG . . 3.780 3.559 3.384 3.674 . 0 0 "[ . 1 . 2]" 1
939 1 50 LEU H 1 51 GLU QG . . 5.360 5.060 4.888 5.280 . 0 0 "[ . 1 . 2]" 1
940 1 50 LEU H 1 62 VAL HA . . 5.440 5.317 5.144 5.598 0.158 3 0 "[ . 1 . 2]" 1
941 1 50 LEU HA 1 50 LEU HG . . 3.700 3.802 3.758 3.853 0.153 14 0 "[ . 1 . 2]" 1
942 1 50 LEU HA 1 51 GLU H . . 2.820 2.318 2.222 2.377 . 0 0 "[ . 1 . 2]" 1
943 1 50 LEU HA 1 51 GLU HA . . 4.630 4.532 4.488 4.579 . 0 0 "[ . 1 . 2]" 1
944 1 50 LEU HA 1 51 GLU QG . . 4.870 3.544 3.411 3.738 . 0 0 "[ . 1 . 2]" 1
945 1 50 LEU HA 1 60 LEU QD . . 4.520 3.786 3.556 4.159 . 0 0 "[ . 1 . 2]" 1
946 1 50 LEU HA 1 61 VAL H . . 5.020 4.720 4.517 5.024 0.004 1 0 "[ . 1 . 2]" 1
947 1 50 LEU HA 1 62 VAL HA . . 3.500 2.773 2.486 3.204 . 0 0 "[ . 1 . 2]" 1
948 1 50 LEU HA 1 62 VAL QG . . 4.370 3.579 3.296 3.964 . 0 0 "[ . 1 . 2]" 1
949 1 50 LEU HA 1 63 THR H . . 3.890 3.620 3.354 3.972 0.082 5 0 "[ . 1 . 2]" 1
950 1 50 LEU QB 1 51 GLU H . . 3.520 2.717 2.524 2.872 . 0 0 "[ . 1 . 2]" 1
951 1 50 LEU QB 1 62 VAL HA . . 4.400 2.998 2.803 3.265 . 0 0 "[ . 1 . 2]" 1
952 1 50 LEU QB 1 62 VAL QG . . 3.890 2.516 2.205 2.871 . 0 0 "[ . 1 . 2]" 1
953 1 50 LEU HG 1 51 GLU H . . 4.010 3.887 3.657 4.038 0.028 5 0 "[ . 1 . 2]" 1
954 1 50 LEU HG 1 51 GLU HB3 . . 5.150 5.343 5.191 5.479 0.329 19 0 "[ . 1 . 2]" 1
955 1 50 LEU HG 1 60 LEU QD . . 3.920 3.065 2.859 3.226 . 0 0 "[ . 1 . 2]" 1
956 1 51 GLU H 1 51 GLU HB2 . . 4.090 3.968 3.928 4.010 . 0 0 "[ . 1 . 2]" 1
957 1 51 GLU H 1 51 GLU HB3 . . 3.790 3.330 3.286 3.392 . 0 0 "[ . 1 . 2]" 1
958 1 51 GLU H 1 60 LEU QD . . 3.820 2.979 2.791 3.297 . 0 0 "[ . 1 . 2]" 1
959 1 51 GLU H 1 61 VAL HB . . 4.960 3.094 2.613 3.523 . 0 0 "[ . 1 . 2]" 1
960 1 51 GLU H 1 62 VAL QG . . 4.630 4.333 4.043 4.668 0.038 9 0 "[ . 1 . 2]" 1
961 1 51 GLU HA 1 52 THR H . . 2.930 2.431 2.378 2.526 . 0 0 "[ . 1 . 2]" 1
962 1 51 GLU HA 1 52 THR HA . . 4.610 4.531 4.475 4.596 . 0 0 "[ . 1 . 2]" 1
963 1 51 GLU HA 1 52 THR MG . . 4.370 3.694 3.540 3.842 . 0 0 "[ . 1 . 2]" 1
964 1 51 GLU HA 1 60 LEU QD . . 4.180 3.766 3.554 4.178 . 0 0 "[ . 1 . 2]" 1
965 1 51 GLU HB2 1 52 THR H . . 4.060 2.454 2.337 2.658 . 0 0 "[ . 1 . 2]" 1
966 1 51 GLU HB2 1 52 THR HA . . 4.830 4.565 4.437 4.749 . 0 0 "[ . 1 . 2]" 1
967 1 51 GLU HB2 1 53 PRO QD . . 4.750 4.035 3.770 4.638 . 0 0 "[ . 1 . 2]" 1
968 1 51 GLU HB3 1 52 THR H . . 3.860 3.831 3.741 3.972 0.112 20 0 "[ . 1 . 2]" 1
969 1 51 GLU QG 1 52 THR H . . 4.100 3.471 3.375 3.587 . 0 0 "[ . 1 . 2]" 1
970 1 51 GLU QG 1 53 PRO QD . . 4.180 2.251 1.953 2.887 . 0 0 "[ . 1 . 2]" 1
971 1 52 THR H 1 52 THR MG . . 4.040 2.975 2.816 3.033 . 0 0 "[ . 1 . 2]" 1
972 1 52 THR H 1 53 PRO HD2 . . 5.000 4.771 4.676 4.967 . 0 0 "[ . 1 . 2]" 1
973 1 52 THR H 1 53 PRO HD3 . . 5.000 4.111 3.964 4.496 . 0 0 "[ . 1 . 2]" 1
974 1 52 THR H 1 60 LEU QD . . 5.230 4.297 4.057 4.676 . 0 0 "[ . 1 . 2]" 1
975 1 52 THR HA 1 52 THR MG . . 3.260 2.393 2.290 2.478 . 0 0 "[ . 1 . 2]" 1
976 1 52 THR HA 1 53 PRO HD2 . . 3.280 2.350 2.296 2.439 . 0 0 "[ . 1 . 2]" 1
977 1 52 THR HA 1 53 PRO HD3 . . 3.280 2.783 2.621 2.938 . 0 0 "[ . 1 . 2]" 1
978 1 52 THR HA 1 53 PRO HG2 . . 4.860 4.524 4.466 4.574 . 0 0 "[ . 1 . 2]" 1
979 1 52 THR HA 1 53 PRO HG3 . . 4.970 4.793 4.696 4.877 . 0 0 "[ . 1 . 2]" 1
980 1 52 THR HA 1 54 ASP H . . 4.510 3.617 3.392 3.806 . 0 0 "[ . 1 . 2]" 1
981 1 52 THR HA 1 57 LYS HA . . 5.500 4.910 4.463 5.464 . 0 0 "[ . 1 . 2]" 1
982 1 52 THR HA 1 60 LEU HA . . 3.920 3.105 2.740 3.343 . 0 0 "[ . 1 . 2]" 1
983 1 52 THR HA 1 60 LEU QD . . 4.490 3.754 3.576 3.950 . 0 0 "[ . 1 . 2]" 1
984 1 52 THR HA 1 61 VAL H . . 4.060 3.380 3.202 3.528 . 0 0 "[ . 1 . 2]" 1
985 1 52 THR HA 1 61 VAL QG . . 4.090 3.269 3.087 3.481 . 0 0 "[ . 1 . 2]" 1
986 1 52 THR HB 1 54 ASP H . . 4.170 3.640 3.260 3.850 . 0 0 "[ . 1 . 2]" 1
987 1 52 THR HB 1 57 LYS HA . . 3.320 2.625 2.216 3.289 . 0 0 "[ . 1 . 2]" 1
988 1 52 THR HB 1 57 LYS HB2 . . 5.500 5.202 4.444 6.246 0.746 1 1 "[+ . 1 . 2]" 1
989 1 52 THR HB 1 57 LYS HB3 . . 5.500 4.011 3.006 5.168 . 0 0 "[ . 1 . 2]" 1
990 1 52 THR HB 1 59 THR HB . . 5.270 4.918 4.156 5.424 0.154 7 0 "[ . 1 . 2]" 1
991 1 52 THR MG 1 53 PRO HD2 . . 4.540 4.224 3.995 4.374 . 0 0 "[ . 1 . 2]" 1
992 1 52 THR MG 1 53 PRO HD3 . . 4.540 4.690 4.577 4.817 0.277 1 0 "[ . 1 . 2]" 1
993 1 52 THR MG 1 57 LYS HA . . 3.190 3.111 2.679 3.763 0.573 7 1 "[ . + 1 . 2]" 1
994 1 52 THR MG 1 57 LYS QB . . 4.560 2.956 2.382 3.656 . 0 0 "[ . 1 . 2]" 1
995 1 52 THR MG 1 57 LYS QG . . 4.710 3.560 2.283 4.600 . 0 0 "[ . 1 . 2]" 1
996 1 52 THR MG 1 60 LEU H . . 4.700 4.357 3.921 4.633 . 0 0 "[ . 1 . 2]" 1
997 1 52 THR MG 1 60 LEU QD . . 3.010 2.234 2.028 2.456 . 0 0 "[ . 1 . 2]" 1
998 1 52 THR MG 1 60 LEU HG . . 4.630 4.354 4.089 4.676 0.046 1 0 "[ . 1 . 2]" 1
999 1 52 THR MG 1 61 VAL H . . 4.000 3.608 3.353 3.791 . 0 0 "[ . 1 . 2]" 1
1000 1 52 THR MG 1 61 VAL QG . . 4.500 4.282 4.131 4.474 . 0 0 "[ . 1 . 2]" 1
1001 1 53 PRO QB 1 61 VAL QG . . 4.310 3.831 3.483 4.213 . 0 0 "[ . 1 . 2]" 1
1002 1 53 PRO QD 1 59 THR MG . . 4.190 3.495 2.761 4.036 . 0 0 "[ . 1 . 2]" 1
1003 1 53 PRO QD 1 61 VAL QG . . 2.940 2.077 1.960 2.258 . 0 0 "[ . 1 . 2]" 1
1004 1 53 PRO HD2 1 54 ASP H . . 4.340 2.631 2.473 2.794 . 0 0 "[ . 1 . 2]" 1
1005 1 53 PRO HD2 1 61 VAL H . . 4.590 4.152 3.735 4.344 . 0 0 "[ . 1 . 2]" 1
1006 1 53 PRO HD3 1 54 ASP H . . 4.340 3.865 3.738 3.984 . 0 0 "[ . 1 . 2]" 1
1007 1 53 PRO HD3 1 61 VAL H . . 4.590 4.019 3.665 4.314 . 0 0 "[ . 1 . 2]" 1
1008 1 53 PRO QG 1 54 ASP H . . 3.500 2.532 2.353 2.620 . 0 0 "[ . 1 . 2]" 1
1009 1 53 PRO QG 1 59 THR HB . . 4.600 4.425 3.277 5.128 0.528 15 1 "[ . 1 + 2]" 1
1010 1 53 PRO QG 1 61 VAL QG . . 3.290 2.554 2.329 2.992 . 0 0 "[ . 1 . 2]" 1
1011 1 54 ASP H 1 59 THR HB . . 4.260 3.892 3.280 4.439 0.179 15 0 "[ . 1 . 2]" 1
1012 1 55 ALA HA 1 56 ASP HA . . 4.920 4.689 4.588 4.933 0.013 10 0 "[ . 1 . 2]" 1
1013 1 55 ALA MB 1 56 ASP H . . 3.690 2.675 2.562 2.830 . 0 0 "[ . 1 . 2]" 1
1014 1 55 ALA MB 1 56 ASP HA . . 4.380 4.010 3.858 4.151 . 0 0 "[ . 1 . 2]" 1
1015 1 55 ALA MB 1 56 ASP QB . . 4.440 4.043 3.672 4.467 0.027 10 0 "[ . 1 . 2]" 1
1016 1 56 ASP H 1 56 ASP HB2 . . 3.850 2.749 2.278 3.731 . 0 0 "[ . 1 . 2]" 1
1017 1 56 ASP H 1 56 ASP HB3 . . 3.850 3.271 2.578 3.714 . 0 0 "[ . 1 . 2]" 1
1018 1 56 ASP QB 1 58 LYS H . . 3.930 2.887 2.196 3.891 . 0 0 "[ . 1 . 2]" 1
1019 1 56 ASP QB 1 58 LYS HA . . 5.340 4.967 4.507 5.646 0.306 14 0 "[ . 1 . 2]" 1
1020 1 56 ASP QB 1 58 LYS QG . . 3.690 2.623 2.059 3.769 0.079 18 0 "[ . 1 . 2]" 1
1021 1 57 LYS HA 1 57 LYS QG . . 3.500 2.572 2.363 3.077 . 0 0 "[ . 1 . 2]" 1
1022 1 57 LYS QB 1 82 VAL QG . . 3.980 3.065 2.304 3.595 . 0 0 "[ . 1 . 2]" 1
1023 1 58 LYS H 1 58 LYS QB . . 3.230 2.471 2.391 2.547 . 0 0 "[ . 1 . 2]" 1
1024 1 58 LYS H 1 58 LYS QG . . 3.390 2.504 2.295 2.735 . 0 0 "[ . 1 . 2]" 1
1025 1 58 LYS HA 1 58 LYS QG . . 3.680 2.389 2.309 2.480 . 0 0 "[ . 1 . 2]" 1
1026 1 58 LYS HA 1 59 THR HA . . 4.820 4.550 4.460 4.642 . 0 0 "[ . 1 . 2]" 1
1027 1 58 LYS QB 1 59 THR H . . 4.500 3.040 2.903 3.288 . 0 0 "[ . 1 . 2]" 1
1028 1 59 THR H 1 59 THR HB . . 3.530 2.643 2.499 2.730 . 0 0 "[ . 1 . 2]" 1
1029 1 59 THR H 1 59 THR MG . . 4.600 3.890 3.800 3.942 . 0 0 "[ . 1 . 2]" 1
1030 1 59 THR HA 1 59 THR MG . . 3.240 2.365 2.266 2.450 . 0 0 "[ . 1 . 2]" 1
1031 1 59 THR HA 1 60 LEU H . . 3.020 2.154 2.057 2.271 . 0 0 "[ . 1 . 2]" 1
1032 1 59 THR HA 1 60 LEU QB . . 4.610 3.959 3.838 4.061 . 0 0 "[ . 1 . 2]" 1
1033 1 59 THR HB 1 60 LEU H . . 4.920 4.175 4.086 4.256 . 0 0 "[ . 1 . 2]" 1
1034 1 59 THR HB 1 61 VAL QG . . 4.610 4.115 3.680 4.479 . 0 0 "[ . 1 . 2]" 1
1035 1 59 THR MG 1 60 LEU H . . 3.500 2.748 2.605 2.948 . 0 0 "[ . 1 . 2]" 1
1036 1 59 THR MG 1 61 VAL QG . . 2.810 2.630 2.230 3.071 0.261 5 0 "[ . 1 . 2]" 1
1037 1 60 LEU H 1 60 LEU QB . . 3.610 2.383 2.279 2.540 . 0 0 "[ . 1 . 2]" 1
1038 1 60 LEU H 1 60 LEU QD . . 4.450 3.767 3.707 3.825 . 0 0 "[ . 1 . 2]" 1
1039 1 60 LEU H 1 61 VAL H . . 4.520 4.447 4.291 4.543 0.023 19 0 "[ . 1 . 2]" 1
1040 1 60 LEU HA 1 60 LEU QD . . 3.190 2.209 2.143 2.260 . 0 0 "[ . 1 . 2]" 1
1041 1 60 LEU HA 1 61 VAL H . . 3.500 2.242 2.164 2.304 . 0 0 "[ . 1 . 2]" 1
1042 1 60 LEU HA 1 61 VAL HA . . 4.410 4.470 4.416 4.513 0.103 7 0 "[ . 1 . 2]" 1
1043 1 60 LEU HA 1 61 VAL HB . . 5.080 4.611 4.547 4.694 . 0 0 "[ . 1 . 2]" 1
1044 1 60 LEU QB 1 61 VAL H . . 4.380 3.816 3.760 3.866 . 0 0 "[ . 1 . 2]" 1
1045 1 60 LEU QD 1 61 VAL H . . 3.490 2.339 2.220 2.471 . 0 0 "[ . 1 . 2]" 1
1046 1 60 LEU QD 1 61 VAL HB . . 5.340 4.040 3.867 4.241 . 0 0 "[ . 1 . 2]" 1
1047 1 61 VAL H 1 61 VAL HB . . 3.190 2.559 2.458 2.663 . 0 0 "[ . 1 . 2]" 1
1048 1 61 VAL H 1 61 VAL QG . . 3.200 2.563 2.377 2.748 . 0 0 "[ . 1 . 2]" 1
1049 1 61 VAL HA 1 62 VAL H . . 2.870 2.184 2.119 2.292 . 0 0 "[ . 1 . 2]" 1
1050 1 61 VAL HB 1 62 VAL H . . 4.440 4.213 4.156 4.256 . 0 0 "[ . 1 . 2]" 1
1051 1 61 VAL QG 1 62 VAL H . . 3.190 2.660 2.563 2.782 . 0 0 "[ . 1 . 2]" 1
1052 1 61 VAL QG 1 62 VAL HB . . 4.920 4.589 4.508 4.654 . 0 0 "[ . 1 . 2]" 1
1053 1 62 VAL H 1 62 VAL HB . . 3.240 2.620 2.565 2.689 . 0 0 "[ . 1 . 2]" 1
1054 1 62 VAL H 1 62 VAL QG . . 3.190 2.677 2.590 2.771 . 0 0 "[ . 1 . 2]" 1
1055 1 62 VAL HA 1 63 THR H . . 3.000 2.247 2.200 2.275 . 0 0 "[ . 1 . 2]" 1
1056 1 62 VAL HA 1 63 THR HA . . 4.450 4.445 4.397 4.477 0.027 16 0 "[ . 1 . 2]" 1
1057 1 62 VAL HA 1 63 THR HB . . 4.920 4.748 4.684 4.801 . 0 0 "[ . 1 . 2]" 1
1058 1 62 VAL QG 1 63 THR H . . 3.190 2.653 2.547 2.766 . 0 0 "[ . 1 . 2]" 1
1059 1 62 VAL QG 1 63 THR HA . . 4.520 3.702 3.638 3.815 . 0 0 "[ . 1 . 2]" 1
1060 1 63 THR H 1 63 THR HB . . 3.100 2.704 2.669 2.757 . 0 0 "[ . 1 . 2]" 1
1061 1 63 THR HA 1 64 PRO HA . . 4.570 4.485 4.447 4.530 . 0 0 "[ . 1 . 2]" 1
1062 1 63 THR HA 1 64 PRO QG . . 4.460 4.002 3.964 4.053 . 0 0 "[ . 1 . 2]" 1
1063 1 64 PRO HA 1 65 ALA HA . . 4.980 4.431 4.378 4.513 . 0 0 "[ . 1 . 2]" 1
1064 1 64 PRO HA 1 65 ALA MB . . 4.060 4.050 3.941 4.111 0.051 6 0 "[ . 1 . 2]" 1
1065 1 64 PRO HA 1 68 LEU QD . . 5.440 4.603 4.198 4.901 . 0 0 "[ . 1 . 2]" 1
1066 1 64 PRO QB 1 65 ALA H . . 3.750 2.916 2.831 3.005 . 0 0 "[ . 1 . 2]" 1
1067 1 64 PRO QB 1 65 ALA HA . . 4.610 4.609 4.397 4.748 0.138 6 0 "[ . 1 . 2]" 1
1068 1 64 PRO QB 1 65 ALA MB . . 5.190 4.381 4.173 4.549 . 0 0 "[ . 1 . 2]" 1
1069 1 64 PRO QB 1 66 ALA H . . 3.780 2.533 2.430 2.681 . 0 0 "[ . 1 . 2]" 1
1070 1 64 PRO QB 1 68 LEU H . . 5.270 4.990 4.491 5.203 . 0 0 "[ . 1 . 2]" 1
1071 1 64 PRO QB 1 68 LEU MD1 . . 4.130 3.533 3.172 3.963 . 0 0 "[ . 1 . 2]" 1
1072 1 64 PRO QB 1 68 LEU MD2 . . 4.130 2.831 2.492 3.127 . 0 0 "[ . 1 . 2]" 1
1073 1 64 PRO QB 1 68 LEU HG . . 4.510 3.519 3.277 3.861 . 0 0 "[ . 1 . 2]" 1
1074 1 64 PRO QG 1 68 LEU H . . 5.500 4.488 4.152 4.947 . 0 0 "[ . 1 . 2]" 1
1075 1 64 PRO QG 1 68 LEU MD1 . . 5.180 3.401 2.814 3.932 . 0 0 "[ . 1 . 2]" 1
1076 1 64 PRO QG 1 68 LEU MD2 . . 5.180 3.597 3.142 4.096 . 0 0 "[ . 1 . 2]" 1
1077 1 64 PRO QG 1 68 LEU HG . . 4.590 3.199 2.638 3.638 . 0 0 "[ . 1 . 2]" 1
1078 1 65 ALA H 1 65 ALA MB . . 2.750 2.314 2.215 2.464 . 0 0 "[ . 1 . 2]" 1
1079 1 65 ALA HA 1 66 ALA HA . . 4.660 4.550 4.425 4.652 . 0 0 "[ . 1 . 2]" 1
1080 1 65 ALA HA 1 66 ALA MB . . 4.670 4.647 4.529 4.722 0.052 18 0 "[ . 1 . 2]" 1
1081 1 65 ALA MB 1 66 ALA H . . 3.690 3.102 2.779 3.484 . 0 0 "[ . 1 . 2]" 1
1082 1 66 ALA H 1 66 ALA MB . . 2.910 2.703 2.622 2.788 . 0 0 "[ . 1 . 2]" 1
1083 1 66 ALA H 1 67 PRO HA . . 4.890 4.695 4.497 4.844 . 0 0 "[ . 1 . 2]" 1
1084 1 66 ALA H 1 67 PRO HD2 . . 4.900 5.007 4.921 5.062 0.162 7 0 "[ . 1 . 2]" 1
1085 1 66 ALA H 1 67 PRO HD3 . . 4.900 5.066 4.989 5.165 0.265 20 0 "[ . 1 . 2]" 1
1086 1 66 ALA H 1 68 LEU QD . . 4.670 4.377 4.126 4.820 0.150 18 0 "[ . 1 . 2]" 1
1087 1 66 ALA HA 1 67 PRO HA . . 4.520 4.365 4.332 4.404 . 0 0 "[ . 1 . 2]" 1
1088 1 66 ALA HA 1 67 PRO HD2 . . 3.120 2.612 2.496 2.719 . 0 0 "[ . 1 . 2]" 1
1089 1 66 ALA HA 1 67 PRO HD3 . . 3.120 2.618 2.506 2.754 . 0 0 "[ . 1 . 2]" 1
1090 1 66 ALA HA 1 67 PRO QG . . 4.460 4.226 4.152 4.324 . 0 0 "[ . 1 . 2]" 1
1091 1 66 ALA MB 1 67 PRO HD2 . . 3.740 2.295 2.181 2.439 . 0 0 "[ . 1 . 2]" 1
1092 1 66 ALA MB 1 67 PRO HD3 . . 3.740 3.520 3.434 3.616 . 0 0 "[ . 1 . 2]" 1
1093 1 66 ALA MB 1 68 LEU QD . . 3.630 4.124 3.716 4.374 0.744 18 10 "[ * -** 1 ** .* +**]" 1
1094 1 66 ALA MB 1 68 LEU HG . . 4.790 5.704 5.345 6.096 1.306 19 20 [********-*********+*] 1
1095 1 67 PRO HA 1 68 LEU H . . 2.640 2.319 2.242 2.378 . 0 0 "[ . 1 . 2]" 1
1096 1 67 PRO HA 1 68 LEU QB . . 4.880 4.551 4.484 4.632 . 0 0 "[ . 1 . 2]" 1
1097 1 67 PRO HA 1 68 LEU MD1 . . 4.950 5.111 5.002 5.216 0.266 19 0 "[ . 1 . 2]" 1
1098 1 67 PRO HA 1 68 LEU MD2 . . 4.950 4.288 4.099 4.597 . 0 0 "[ . 1 . 2]" 1
1099 1 67 PRO QB 1 68 LEU H . . 3.990 2.946 2.856 3.050 . 0 0 "[ . 1 . 2]" 1
1100 1 67 PRO QD 1 68 LEU H . . 4.960 5.016 4.978 5.059 0.099 3 0 "[ . 1 . 2]" 1
1101 1 67 PRO QD 1 68 LEU QD . . 5.280 5.374 5.235 5.611 0.331 18 0 "[ . 1 . 2]" 1
1102 1 68 LEU H 1 68 LEU QB . . 3.040 2.499 2.447 2.575 . 0 0 "[ . 1 . 2]" 1
1103 1 68 LEU H 1 68 LEU MD1 . . 3.730 3.794 3.734 3.877 0.147 9 0 "[ . 1 . 2]" 1
1104 1 68 LEU H 1 68 LEU MD2 . . 3.730 3.530 3.363 3.660 . 0 0 "[ . 1 . 2]" 1
1105 1 68 LEU H 1 68 LEU HG . . 2.910 2.551 2.377 2.651 . 0 0 "[ . 1 . 2]" 1
1106 1 68 LEU H 1 69 ALA H . . 4.750 4.546 4.318 4.637 . 0 0 "[ . 1 . 2]" 1
1107 1 68 LEU H 1 95 VAL QG . . 5.440 4.439 3.993 5.057 . 0 0 "[ . 1 . 2]" 1
1108 1 68 LEU HA 1 68 LEU MD1 . . 4.010 3.919 3.854 3.949 . 0 0 "[ . 1 . 2]" 1
1109 1 68 LEU HA 1 68 LEU MD2 . . 4.010 2.235 2.150 2.306 . 0 0 "[ . 1 . 2]" 1
1110 1 68 LEU HA 1 68 LEU HG . . 3.670 3.240 3.109 3.320 . 0 0 "[ . 1 . 2]" 1
1111 1 68 LEU HA 1 69 ALA H . . 2.570 2.184 2.100 2.304 . 0 0 "[ . 1 . 2]" 1
1112 1 68 LEU HA 1 69 ALA HA . . 4.520 4.428 4.362 4.483 . 0 0 "[ . 1 . 2]" 1
1113 1 68 LEU HA 1 69 ALA MB . . 4.030 3.958 3.840 4.069 0.039 3 0 "[ . 1 . 2]" 1
1114 1 68 LEU QB 1 69 ALA H . . 3.800 3.012 2.453 3.555 . 0 0 "[ . 1 . 2]" 1
1115 1 68 LEU QB 1 73 TYR QE . . 4.710 3.221 3.002 3.755 . 0 0 "[ . 1 . 2]" 1
1116 1 68 LEU QB 1 95 VAL MG1 . . 4.130 2.924 2.577 3.369 . 0 0 "[ . 1 . 2]" 1
1117 1 68 LEU QB 1 95 VAL QG . . 4.130 2.234 2.011 2.545 . 0 0 "[ . 1 . 2]" 1
1118 1 68 LEU QB 1 95 VAL MG2 . . 4.130 2.322 2.083 2.690 . 0 0 "[ . 1 . 2]" 1
1119 1 68 LEU QD 1 73 TYR QB . . 4.860 3.725 3.302 4.226 . 0 0 "[ . 1 . 2]" 1
1120 1 68 LEU QD 1 73 TYR QE . . 3.330 2.323 2.152 2.647 . 0 0 "[ . 1 . 2]" 1
1121 1 68 LEU QD 1 93 PHE QE . . 3.610 3.048 2.701 3.675 0.065 2 0 "[ . 1 . 2]" 1
1122 1 68 LEU QD 1 95 VAL QG . . 3.820 2.490 2.266 2.900 . 0 0 "[ . 1 . 2]" 1
1123 1 68 LEU MD1 1 69 ALA H . . 5.470 4.959 4.413 5.419 . 0 0 "[ . 1 . 2]" 1
1124 1 68 LEU MD2 1 69 ALA H . . 5.470 3.741 3.530 4.033 . 0 0 "[ . 1 . 2]" 1
1125 1 68 LEU HG 1 69 ALA H . . 5.500 5.174 4.976 5.349 . 0 0 "[ . 1 . 2]" 1
1126 1 69 ALA H 1 69 ALA MB . . 2.720 2.332 2.221 2.553 . 0 0 "[ . 1 . 2]" 1
1127 1 69 ALA H 1 73 TYR QE . . 4.680 3.862 3.313 4.139 . 0 0 "[ . 1 . 2]" 1
1128 1 69 ALA HA 1 70 ALA H . . 3.040 2.517 2.424 2.594 . 0 0 "[ . 1 . 2]" 1
1129 1 69 ALA HA 1 70 ALA HA . . 4.370 4.400 4.313 4.474 0.104 7 0 "[ . 1 . 2]" 1
1130 1 69 ALA HA 1 95 VAL QG . . 4.320 3.848 3.402 4.151 . 0 0 "[ . 1 . 2]" 1
1131 1 69 ALA MB 1 70 ALA H . . 3.050 2.487 2.335 2.624 . 0 0 "[ . 1 . 2]" 1
1132 1 69 ALA MB 1 70 ALA HA . . 4.530 4.396 4.359 4.443 . 0 0 "[ . 1 . 2]" 1
1133 1 69 ALA MB 1 95 VAL QG . . 4.790 4.365 4.170 4.524 . 0 0 "[ . 1 . 2]" 1
1134 1 70 ALA H 1 70 ALA MB . . 2.830 2.222 2.186 2.250 . 0 0 "[ . 1 . 2]" 1
1135 1 70 ALA H 1 71 GLY H . . 4.650 4.696 4.637 4.738 0.088 13 0 "[ . 1 . 2]" 1
1136 1 70 ALA H 1 95 VAL QG . . 4.170 3.845 3.513 3.992 . 0 0 "[ . 1 . 2]" 1
1137 1 70 ALA HA 1 71 GLY H . . 2.760 2.277 2.186 2.334 . 0 0 "[ . 1 . 2]" 1
1138 1 70 ALA HA 1 71 GLY QA . . 4.460 3.997 3.944 4.034 . 0 0 "[ . 1 . 2]" 1
1139 1 70 ALA HA 1 73 TYR QE . . 4.260 3.863 3.692 4.126 . 0 0 "[ . 1 . 2]" 1
1140 1 70 ALA HA 1 95 VAL H . . 4.040 4.053 3.804 4.262 0.222 13 0 "[ . 1 . 2]" 1
1141 1 70 ALA HA 1 95 VAL HA . . 4.590 4.564 4.367 4.773 0.183 12 0 "[ . 1 . 2]" 1
1142 1 70 ALA HA 1 95 VAL HB . . 2.980 2.304 2.041 2.486 . 0 0 "[ . 1 . 2]" 1
1143 1 70 ALA HA 1 95 VAL MG1 . . 3.890 2.479 2.307 2.973 . 0 0 "[ . 1 . 2]" 1
1144 1 70 ALA HA 1 95 VAL MG2 . . 3.890 3.981 3.787 4.140 0.250 15 0 "[ . 1 . 2]" 1
1145 1 70 ALA MB 1 71 GLY H . . 3.150 2.915 2.871 2.978 . 0 0 "[ . 1 . 2]" 1
1146 1 70 ALA MB 1 95 VAL HB . . 5.380 3.997 3.773 4.163 . 0 0 "[ . 1 . 2]" 1
1147 1 70 ALA MB 1 95 VAL QG . . 3.500 3.323 3.078 3.577 0.077 12 0 "[ . 1 . 2]" 1
1148 1 70 ALA MB 1 96 GLY QA . . 3.530 2.996 2.592 3.810 0.280 12 0 "[ . 1 . 2]" 1
1149 1 71 GLY H 1 73 TYR QE . . 3.740 3.459 3.290 3.897 0.157 12 0 "[ . 1 . 2]" 1
1150 1 71 GLY H 1 94 LYS HA . . 4.420 4.382 4.297 4.571 0.151 17 0 "[ . 1 . 2]" 1
1151 1 71 GLY H 1 94 LYS QB . . 5.180 5.090 4.940 5.280 0.100 17 0 "[ . 1 . 2]" 1
1152 1 71 GLY H 1 95 VAL HA . . 4.970 4.637 4.499 4.930 . 0 0 "[ . 1 . 2]" 1
1153 1 71 GLY H 1 95 VAL HB . . 3.140 2.727 2.630 2.845 . 0 0 "[ . 1 . 2]" 1
1154 1 71 GLY H 1 95 VAL MG1 . . 4.430 3.889 3.714 4.278 . 0 0 "[ . 1 . 2]" 1
1155 1 71 GLY H 1 95 VAL MG2 . . 4.430 4.082 3.904 4.252 . 0 0 "[ . 1 . 2]" 1
1156 1 71 GLY QA 1 73 TYR QE . . 4.530 3.538 3.230 3.850 . 0 0 "[ . 1 . 2]" 1
1157 1 71 GLY QA 1 94 LYS HG3 . . 4.250 3.484 3.287 3.746 . 0 0 "[ . 1 . 2]" 1
1158 1 71 GLY HA2 1 72 ASN H . . 3.000 2.618 2.554 2.696 . 0 0 "[ . 1 . 2]" 1
1159 1 71 GLY HA3 1 72 ASN H . . 3.000 2.554 2.479 2.638 . 0 0 "[ . 1 . 2]" 1
1160 1 72 ASN H 1 73 TYR QE . . 4.870 4.845 4.623 5.096 0.226 19 0 "[ . 1 . 2]" 1
1161 1 72 ASN HA 1 73 TYR H . . 2.840 2.165 2.118 2.235 . 0 0 "[ . 1 . 2]" 1
1162 1 72 ASN HA 1 73 TYR HA . . 4.580 4.435 4.396 4.482 . 0 0 "[ . 1 . 2]" 1
1163 1 72 ASN HA 1 73 TYR QB . . 4.580 4.315 4.141 4.396 . 0 0 "[ . 1 . 2]" 1
1164 1 72 ASN HA 1 73 TYR QD . . 4.140 3.321 3.088 3.566 . 0 0 "[ . 1 . 2]" 1
1165 1 72 ASN HA 1 93 PHE H . . 4.850 4.617 4.355 4.849 . 0 0 "[ . 1 . 2]" 1
1166 1 72 ASN HA 1 93 PHE HA . . 5.500 5.590 5.398 5.762 0.262 17 0 "[ . 1 . 2]" 1
1167 1 72 ASN HA 1 94 LYS HA . . 3.210 2.450 2.233 2.758 . 0 0 "[ . 1 . 2]" 1
1168 1 72 ASN HA 1 94 LYS QB . . 4.440 3.446 3.179 3.699 . 0 0 "[ . 1 . 2]" 1
1169 1 72 ASN HA 1 94 LYS HG2 . . 4.370 4.500 4.278 4.703 0.333 9 0 "[ . 1 . 2]" 1
1170 1 72 ASN HA 1 94 LYS HG3 . . 4.130 3.025 2.814 3.287 . 0 0 "[ . 1 . 2]" 1
1171 1 72 ASN QB 1 94 LYS QE . . 5.340 4.158 3.493 4.741 . 0 0 "[ . 1 . 2]" 1
1172 1 73 TYR H 1 73 TYR QB . . 3.230 2.580 2.499 2.660 . 0 0 "[ . 1 . 2]" 1
1173 1 73 TYR H 1 73 TYR QD . . 3.290 2.829 2.669 2.954 . 0 0 "[ . 1 . 2]" 1
1174 1 73 TYR H 1 74 LYS H . . 4.650 4.484 4.425 4.512 . 0 0 "[ . 1 . 2]" 1
1175 1 73 TYR HA 1 73 TYR QD . . 3.720 3.087 2.982 3.149 . 0 0 "[ . 1 . 2]" 1
1176 1 73 TYR HA 1 74 LYS H . . 2.770 2.244 2.169 2.288 . 0 0 "[ . 1 . 2]" 1
1177 1 73 TYR HA 1 74 LYS HA . . 4.780 4.469 4.423 4.525 . 0 0 "[ . 1 . 2]" 1
1178 1 73 TYR HA 1 74 LYS QB . . 4.690 3.925 3.702 4.000 . 0 0 "[ . 1 . 2]" 1
1179 1 73 TYR QB 1 74 LYS H . . 3.620 2.631 2.552 2.714 . 0 0 "[ . 1 . 2]" 1
1180 1 73 TYR QB 1 74 LYS QB . . 5.420 4.492 4.416 4.563 . 0 0 "[ . 1 . 2]" 1
1181 1 73 TYR QB 1 75 VAL QG . . 4.260 3.500 3.331 3.699 . 0 0 "[ . 1 . 2]" 1
1182 1 73 TYR QB 1 93 PHE H . . 4.160 3.489 3.275 3.673 . 0 0 "[ . 1 . 2]" 1
1183 1 73 TYR QD 1 74 LYS H . . 4.290 3.792 3.646 3.954 . 0 0 "[ . 1 . 2]" 1
1184 1 73 TYR QD 1 94 LYS HA . . 3.910 3.222 2.934 3.420 . 0 0 "[ . 1 . 2]" 1
1185 1 73 TYR QE 1 95 VAL HB . . 3.480 2.522 2.303 3.145 . 0 0 "[ . 1 . 2]" 1
1186 1 73 TYR QE 1 95 VAL MG1 . . 4.920 3.807 3.605 4.091 . 0 0 "[ . 1 . 2]" 1
1187 1 73 TYR QE 1 95 VAL MG2 . . 4.920 2.530 2.348 2.783 . 0 0 "[ . 1 . 2]" 1
1188 1 74 LYS H 1 74 LYS QB . . 3.320 2.490 2.358 2.683 . 0 0 "[ . 1 . 2]" 1
1189 1 74 LYS H 1 75 VAL H . . 4.610 4.391 4.322 4.547 . 0 0 "[ . 1 . 2]" 1
1190 1 74 LYS H 1 75 VAL QG . . 4.530 4.176 4.028 4.337 . 0 0 "[ . 1 . 2]" 1
1191 1 74 LYS HA 1 74 LYS QG . . 3.620 2.881 2.387 2.994 . 0 0 "[ . 1 . 2]" 1
1192 1 74 LYS HA 1 75 VAL H . . 2.870 2.214 2.145 2.291 . 0 0 "[ . 1 . 2]" 1
1193 1 74 LYS HA 1 75 VAL HB . . 4.690 4.639 4.470 4.780 0.090 13 0 "[ . 1 . 2]" 1
1194 1 74 LYS HA 1 75 VAL QG . . 4.140 3.625 3.421 3.730 . 0 0 "[ . 1 . 2]" 1
1195 1 74 LYS HA 1 92 SER HA . . 3.180 2.359 2.076 2.562 . 0 0 "[ . 1 . 2]" 1
1196 1 74 LYS HA 1 92 SER QB . . 4.680 3.057 2.726 3.761 . 0 0 "[ . 1 . 2]" 1
1197 1 74 LYS QB 1 74 LYS QE . . 3.300 2.610 2.059 3.656 0.356 12 0 "[ . 1 . 2]" 1
1198 1 74 LYS QB 1 75 VAL H . . 4.280 3.737 3.665 3.811 . 0 0 "[ . 1 . 2]" 1
1199 1 74 LYS QB 1 76 VAL QG . . 4.550 3.789 3.557 4.369 . 0 0 "[ . 1 . 2]" 1
1200 1 74 LYS QB 1 92 SER HA . . 4.490 4.201 3.569 4.485 . 0 0 "[ . 1 . 2]" 1
1201 1 74 LYS QB 1 92 SER HB2 . . 5.500 4.225 3.172 5.569 0.069 14 0 "[ . 1 . 2]" 1
1202 1 74 LYS QB 1 92 SER HB3 . . 5.500 3.820 3.044 4.558 . 0 0 "[ . 1 . 2]" 1
1203 1 74 LYS QB 1 93 PHE H . . 5.500 5.142 4.440 5.450 . 0 0 "[ . 1 . 2]" 1
1204 1 74 LYS QD 1 75 VAL H . . 3.660 2.842 2.663 3.086 . 0 0 "[ . 1 . 2]" 1
1205 1 74 LYS QD 1 76 VAL HA . . 4.810 4.958 3.956 6.074 1.264 7 5 "[ - . + *1 ** . 2]" 1
1206 1 74 LYS QD 1 91 TYR H . . 4.390 3.422 3.129 4.137 . 0 0 "[ . 1 . 2]" 1
1207 1 74 LYS QD 1 92 SER HA . . 4.430 3.355 2.898 4.874 0.444 18 0 "[ . 1 . 2]" 1
1208 1 74 LYS QE 1 76 VAL QG . . 3.840 3.788 2.101 4.635 0.795 10 4 "[- .* * + . 2]" 1
1209 1 74 LYS QE 1 90 GLU QB . . 4.110 3.834 2.095 4.645 0.535 8 1 "[ . + 1 . 2]" 1
1210 1 74 LYS QE 1 90 GLU QG . . 3.940 4.129 2.510 5.043 1.103 8 9 "[ *. + 1* -*****]" 1
1211 1 74 LYS QG 1 75 VAL H . . 3.570 2.842 2.638 3.092 . 0 0 "[ . 1 . 2]" 1
1212 1 74 LYS QG 1 76 VAL QG . . 3.090 2.472 2.120 4.059 0.969 17 2 "[ . 1 . +- 2]" 1
1213 1 74 LYS QG 1 91 TYR H . . 4.950 4.102 3.685 4.483 . 0 0 "[ . 1 . 2]" 1
1214 1 75 VAL H 1 75 VAL HB . . 3.170 2.625 2.551 2.684 . 0 0 "[ . 1 . 2]" 1
1215 1 75 VAL H 1 75 VAL MG1 . . 4.010 3.879 3.837 3.915 . 0 0 "[ . 1 . 2]" 1
1216 1 75 VAL H 1 75 VAL MG2 . . 4.010 2.776 2.697 2.821 . 0 0 "[ . 1 . 2]" 1
1217 1 75 VAL H 1 76 VAL HA . . 5.160 4.896 4.788 5.092 . 0 0 "[ . 1 . 2]" 1
1218 1 75 VAL H 1 76 VAL QG . . 4.150 3.990 3.880 4.351 0.201 18 0 "[ . 1 . 2]" 1
1219 1 75 VAL H 1 90 GLU QB . . 4.790 4.268 4.122 4.526 . 0 0 "[ . 1 . 2]" 1
1220 1 75 VAL H 1 92 SER HA . . 3.790 3.230 3.005 3.355 . 0 0 "[ . 1 . 2]" 1
1221 1 75 VAL HA 1 75 VAL MG1 . . 3.270 2.415 2.356 2.514 . 0 0 "[ . 1 . 2]" 1
1222 1 75 VAL HA 1 75 VAL MG2 . . 3.270 2.444 2.389 2.509 . 0 0 "[ . 1 . 2]" 1
1223 1 75 VAL HA 1 76 VAL H . . 2.900 2.167 2.130 2.212 . 0 0 "[ . 1 . 2]" 1
1224 1 75 VAL HA 1 76 VAL HB . . 5.500 4.619 4.526 4.690 . 0 0 "[ . 1 . 2]" 1
1225 1 75 VAL HB 1 76 VAL H . . 4.760 4.227 4.128 4.311 . 0 0 "[ . 1 . 2]" 1
1226 1 75 VAL HB 1 77 TRP HD1 . . 5.000 3.960 3.746 4.135 . 0 0 "[ . 1 . 2]" 1
1227 1 75 VAL HB 1 90 GLU HA . . 5.500 4.425 4.315 4.575 . 0 0 "[ . 1 . 2]" 1
1228 1 75 VAL HB 1 91 TYR H . . 3.550 3.180 3.084 3.311 . 0 0 "[ . 1 . 2]" 1
1229 1 75 VAL HB 1 91 TYR QD . . 3.800 3.485 3.377 3.613 . 0 0 "[ . 1 . 2]" 1
1230 1 75 VAL HB 1 91 TYR QE . . 4.770 3.249 3.163 3.360 . 0 0 "[ . 1 . 2]" 1
1231 1 75 VAL HB 1 92 SER HA . . 5.500 4.827 4.639 5.009 . 0 0 "[ . 1 . 2]" 1
1232 1 75 VAL QG 1 77 TRP HA . . 4.630 4.344 4.159 4.484 . 0 0 "[ . 1 . 2]" 1
1233 1 75 VAL QG 1 77 TRP QB . . 3.850 2.957 2.808 3.110 . 0 0 "[ . 1 . 2]" 1
1234 1 75 VAL QG 1 77 TRP HD1 . . 3.170 2.444 2.214 2.659 . 0 0 "[ . 1 . 2]" 1
1235 1 75 VAL QG 1 77 TRP HE1 . . 4.650 4.372 4.089 4.555 . 0 0 "[ . 1 . 2]" 1
1236 1 75 VAL QG 1 90 GLU HA . . 4.310 4.023 3.892 4.262 . 0 0 "[ . 1 . 2]" 1
1237 1 75 VAL QG 1 92 SER HA . . 4.820 3.990 3.802 4.159 . 0 0 "[ . 1 . 2]" 1
1238 1 75 VAL QG 1 93 PHE H . . 4.920 4.724 4.492 4.852 . 0 0 "[ . 1 . 2]" 1
1239 1 75 VAL QG 1 93 PHE QD . . 3.610 2.981 2.627 3.397 . 0 0 "[ . 1 . 2]" 1
1240 1 75 VAL QG 1 93 PHE QE . . 2.980 2.070 2.018 2.153 . 0 0 "[ . 1 . 2]" 1
1241 1 75 VAL MG1 1 76 VAL H . . 4.250 2.707 2.537 2.847 . 0 0 "[ . 1 . 2]" 1
1242 1 75 VAL MG1 1 91 TYR H . . 4.930 4.104 3.989 4.291 . 0 0 "[ . 1 . 2]" 1
1243 1 75 VAL MG1 1 91 TYR QD . . 4.370 3.886 3.722 4.039 . 0 0 "[ . 1 . 2]" 1
1244 1 75 VAL MG1 1 91 TYR QE . . 3.680 2.795 2.646 2.930 . 0 0 "[ . 1 . 2]" 1
1245 1 75 VAL MG2 1 76 VAL H . . 4.250 4.071 3.935 4.151 . 0 0 "[ . 1 . 2]" 1
1246 1 75 VAL MG2 1 91 TYR H . . 4.930 4.507 4.411 4.588 . 0 0 "[ . 1 . 2]" 1
1247 1 75 VAL MG2 1 91 TYR QD . . 4.370 3.847 3.690 3.982 . 0 0 "[ . 1 . 2]" 1
1248 1 75 VAL MG2 1 91 TYR QE . . 3.680 2.856 2.718 3.094 . 0 0 "[ . 1 . 2]" 1
1249 1 76 VAL H 1 76 VAL HB . . 3.160 2.657 2.584 2.716 . 0 0 "[ . 1 . 2]" 1
1250 1 76 VAL H 1 76 VAL QG . . 3.070 2.765 2.718 2.801 . 0 0 "[ . 1 . 2]" 1
1251 1 76 VAL H 1 77 TRP HA . . 5.220 4.746 4.658 4.831 . 0 0 "[ . 1 . 2]" 1
1252 1 76 VAL H 1 90 GLU HA . . 5.310 4.914 4.817 4.971 . 0 0 "[ . 1 . 2]" 1
1253 1 76 VAL HA 1 77 TRP H . . 2.890 2.291 2.255 2.332 . 0 0 "[ . 1 . 2]" 1
1254 1 76 VAL HA 1 77 TRP HD1 . . 4.450 3.689 3.561 3.811 . 0 0 "[ . 1 . 2]" 1
1255 1 76 VAL HA 1 89 GLY H . . 5.350 4.791 4.656 5.034 . 0 0 "[ . 1 . 2]" 1
1256 1 76 VAL HA 1 90 GLU HA . . 3.140 2.511 2.366 2.646 . 0 0 "[ . 1 . 2]" 1
1257 1 76 VAL HA 1 90 GLU QB . . 3.600 2.677 2.475 2.838 . 0 0 "[ . 1 . 2]" 1
1258 1 76 VAL HA 1 91 TYR H . . 4.510 3.967 3.812 4.134 . 0 0 "[ . 1 . 2]" 1
1259 1 76 VAL QG 1 77 TRP H . . 3.130 2.641 2.569 2.709 . 0 0 "[ . 1 . 2]" 1
1260 1 76 VAL QG 1 78 ASN QB . . 5.280 4.918 4.172 5.314 0.034 16 0 "[ . 1 . 2]" 1
1261 1 76 VAL QG 1 88 ASN QB . . 4.630 4.089 3.786 4.381 . 0 0 "[ . 1 . 2]" 1
1262 1 76 VAL QG 1 89 GLY H . . 4.320 3.983 3.772 4.249 . 0 0 "[ . 1 . 2]" 1
1263 1 76 VAL QG 1 90 GLU QG . . 4.460 3.756 3.302 4.028 . 0 0 "[ . 1 . 2]" 1
1264 1 76 VAL QG 1 91 TYR H . . 5.010 4.089 3.929 4.250 . 0 0 "[ . 1 . 2]" 1
1265 1 77 TRP H 1 77 TRP HD1 . . 3.520 3.171 3.079 3.310 . 0 0 "[ . 1 . 2]" 1
1266 1 77 TRP H 1 77 TRP HE1 . . 4.730 4.549 4.427 4.679 . 0 0 "[ . 1 . 2]" 1
1267 1 77 TRP H 1 78 ASN H . . 4.570 4.407 4.374 4.456 . 0 0 "[ . 1 . 2]" 1
1268 1 77 TRP H 1 90 GLU HA . . 3.720 3.415 3.261 3.569 . 0 0 "[ . 1 . 2]" 1
1269 1 77 TRP H 1 90 GLU QB . . 4.300 3.830 3.549 4.039 . 0 0 "[ . 1 . 2]" 1
1270 1 77 TRP HA 1 77 TRP HD1 . . 4.690 4.406 4.335 4.460 . 0 0 "[ . 1 . 2]" 1
1271 1 77 TRP HA 1 77 TRP HE3 . . 4.570 4.410 4.346 4.477 . 0 0 "[ . 1 . 2]" 1
1272 1 77 TRP HA 1 78 ASN H . . 2.800 2.173 2.120 2.215 . 0 0 "[ . 1 . 2]" 1
1273 1 77 TRP HA 1 78 ASN QB . . 4.560 4.206 3.889 4.376 . 0 0 "[ . 1 . 2]" 1
1274 1 77 TRP QB 1 77 TRP HD1 . . 3.510 2.639 2.567 2.712 . 0 0 "[ . 1 . 2]" 1
1275 1 77 TRP QB 1 77 TRP HE3 . . 3.550 2.630 2.559 2.701 . 0 0 "[ . 1 . 2]" 1
1276 1 77 TRP QB 1 78 ASN H . . 3.680 2.706 2.551 2.834 . 0 0 "[ . 1 . 2]" 1
1277 1 77 TRP QB 1 78 ASN HA . . 4.830 4.357 4.189 4.448 . 0 0 "[ . 1 . 2]" 1
1278 1 77 TRP HD1 1 90 GLU HA . . 3.760 3.286 3.092 3.487 . 0 0 "[ . 1 . 2]" 1
1279 1 77 TRP HD1 1 91 TYR H . . 5.070 4.365 4.183 4.568 . 0 0 "[ . 1 . 2]" 1
1280 1 77 TRP HD1 1 91 TYR QE . . 3.570 2.963 2.685 3.209 . 0 0 "[ . 1 . 2]" 1
1281 1 77 TRP HE1 1 89 GLY HA2 . . 5.500 4.984 4.685 5.250 . 0 0 "[ . 1 . 2]" 1
1282 1 77 TRP HE1 1 89 GLY HA3 . . 4.400 3.553 3.256 3.859 . 0 0 "[ . 1 . 2]" 1
1283 1 77 TRP HE1 1 90 GLU HA . . 4.450 3.576 3.435 3.733 . 0 0 "[ . 1 . 2]" 1
1284 1 77 TRP HE1 1 91 TYR QD . . 3.390 2.404 1.968 2.627 . 0 0 "[ . 1 . 2]" 1
1285 1 77 TRP HE1 1 91 TYR QE . . 4.190 3.358 2.941 3.633 . 0 0 "[ . 1 . 2]" 1
1286 1 77 TRP HE3 1 78 ASN H . . 4.420 3.670 3.476 3.852 . 0 0 "[ . 1 . 2]" 1
1287 1 77 TRP HE3 1 78 ASN HA . . 4.070 3.361 3.145 3.619 . 0 0 "[ . 1 . 2]" 1
1288 1 77 TRP HE3 1 79 ALA H . . 3.360 3.103 2.924 3.315 . 0 0 "[ . 1 . 2]" 1
1289 1 77 TRP HE3 1 79 ALA MB . . 3.510 2.422 2.213 2.570 . 0 0 "[ . 1 . 2]" 1
1290 1 77 TRP HE3 1 88 ASN HA . . 4.360 3.530 3.366 3.668 . 0 0 "[ . 1 . 2]" 1
1291 1 77 TRP HE3 1 89 GLY H . . 4.450 4.318 4.103 4.501 0.051 10 0 "[ . 1 . 2]" 1
1292 1 77 TRP HH2 1 79 ALA MB . . 4.400 4.379 4.189 4.594 0.194 5 0 "[ . 1 . 2]" 1
1293 1 77 TRP HH2 1 87 SER HB2 . . 5.500 4.823 3.971 5.747 0.247 5 0 "[ . 1 . 2]" 1
1294 1 77 TRP HH2 1 87 SER HB3 . . 5.500 4.150 3.591 4.643 . 0 0 "[ . 1 . 2]" 1
1295 1 77 TRP HH2 1 88 ASN H . . 5.500 4.701 4.368 5.293 . 0 0 "[ . 1 . 2]" 1
1296 1 77 TRP HH2 1 88 ASN HA . . 5.500 4.565 4.248 4.988 . 0 0 "[ . 1 . 2]" 1
1297 1 77 TRP HH2 1 89 GLY HA3 . . 4.340 4.029 3.781 4.342 0.002 1 0 "[ . 1 . 2]" 1
1298 1 77 TRP HZ2 1 89 GLY HA2 . . 4.540 4.587 4.331 4.804 0.264 1 0 "[ . 1 . 2]" 1
1299 1 77 TRP HZ2 1 89 GLY HA3 . . 3.760 2.855 2.622 3.055 . 0 0 "[ . 1 . 2]" 1
1300 1 77 TRP HZ2 1 90 GLU H . . 4.460 4.638 4.347 4.925 0.465 13 0 "[ . 1 . 2]" 1
1301 1 77 TRP HZ3 1 78 ASN HA . . 4.560 4.512 4.236 4.797 0.237 9 0 "[ . 1 . 2]" 1
1302 1 77 TRP HZ3 1 79 ALA H . . 3.720 3.357 3.175 3.617 . 0 0 "[ . 1 . 2]" 1
1303 1 77 TRP HZ3 1 79 ALA MB . . 3.290 2.315 2.126 2.511 . 0 0 "[ . 1 . 2]" 1
1304 1 77 TRP HZ3 1 87 SER QB . . 4.330 3.064 2.891 3.521 . 0 0 "[ . 1 . 2]" 1
1305 1 77 TRP HZ3 1 88 ASN H . . 4.670 4.586 4.356 5.013 0.343 5 0 "[ . 1 . 2]" 1
1306 1 77 TRP HZ3 1 88 ASN HA . . 4.220 3.602 3.341 3.865 . 0 0 "[ . 1 . 2]" 1
1307 1 77 TRP HZ3 1 89 GLY H . . 4.780 4.951 4.751 5.117 0.337 1 0 "[ . 1 . 2]" 1
1308 1 78 ASN H 1 78 ASN QB . . 3.230 2.560 2.478 2.725 . 0 0 "[ . 1 . 2]" 1
1309 1 78 ASN HA 1 79 ALA H . . 2.830 2.266 2.178 2.321 . 0 0 "[ . 1 . 2]" 1
1310 1 78 ASN HA 1 79 ALA HA . . 4.540 4.489 4.427 4.528 . 0 0 "[ . 1 . 2]" 1
1311 1 78 ASN HA 1 79 ALA MB . . 4.090 4.046 3.948 4.096 0.006 20 0 "[ . 1 . 2]" 1
1312 1 78 ASN HA 1 87 SER H . . 4.550 4.562 4.312 4.885 0.335 9 0 "[ . 1 . 2]" 1
1313 1 78 ASN HA 1 88 ASN HA . . 3.210 2.446 2.250 2.669 . 0 0 "[ . 1 . 2]" 1
1314 1 78 ASN HA 1 88 ASN QB . . 4.560 2.927 2.609 3.266 . 0 0 "[ . 1 . 2]" 1
1315 1 78 ASN HA 1 89 GLY H . . 4.230 3.994 3.761 4.236 0.006 15 0 "[ . 1 . 2]" 1
1316 1 78 ASN QB 1 79 ALA H . . 4.630 3.486 3.306 3.863 . 0 0 "[ . 1 . 2]" 1
1317 1 78 ASN QB 1 80 VAL QG . . 4.390 4.221 3.762 5.297 0.907 15 2 "[ . 1 + - 2]" 1
1318 1 78 ASN QB 1 87 SER H . . 5.500 4.961 4.485 5.752 0.252 1 0 "[ . 1 . 2]" 1
1319 1 78 ASN QB 1 88 ASN QB . . 5.180 3.713 2.786 4.170 . 0 0 "[ . 1 . 2]" 1
1320 1 79 ALA H 1 79 ALA MB . . 3.030 2.498 2.450 2.604 . 0 0 "[ . 1 . 2]" 1
1321 1 79 ALA H 1 80 VAL QG . . 4.950 4.330 4.000 5.215 0.265 17 0 "[ . 1 . 2]" 1
1322 1 79 ALA H 1 88 ASN HA . . 3.870 3.258 2.968 3.371 . 0 0 "[ . 1 . 2]" 1
1323 1 79 ALA H 1 88 ASN QB . . 5.340 4.176 3.758 4.571 . 0 0 "[ . 1 . 2]" 1
1324 1 79 ALA HA 1 80 VAL H . . 3.190 2.273 2.206 2.346 . 0 0 "[ . 1 . 2]" 1
1325 1 79 ALA HA 1 80 VAL QG . . 4.070 3.528 3.321 3.839 . 0 0 "[ . 1 . 2]" 1
1326 1 79 ALA MB 1 87 SER H . . 3.850 3.877 3.648 4.099 0.249 2 0 "[ . 1 . 2]" 1
1327 1 80 VAL H 1 80 VAL HB . . 3.830 2.716 2.562 3.183 . 0 0 "[ . 1 . 2]" 1
1328 1 80 VAL H 1 81 SER H . . 4.650 4.309 4.243 4.396 . 0 0 "[ . 1 . 2]" 1
1329 1 80 VAL H 1 87 SER H . . 5.370 5.075 4.916 5.295 . 0 0 "[ . 1 . 2]" 1
1330 1 80 VAL HA 1 81 SER HA . . 4.550 4.317 4.259 4.372 . 0 0 "[ . 1 . 2]" 1
1331 1 80 VAL HA 1 84 THR HA . . 5.500 5.119 4.705 5.716 0.216 4 0 "[ . 1 . 2]" 1
1332 1 80 VAL HA 1 86 LYS HA . . 3.410 2.425 2.118 2.614 . 0 0 "[ . 1 . 2]" 1
1333 1 80 VAL HA 1 86 LYS QG . . 4.490 3.647 2.831 4.400 . 0 0 "[ . 1 . 2]" 1
1334 1 80 VAL QG 1 81 SER H . . 3.390 2.697 2.493 2.861 . 0 0 "[ . 1 . 2]" 1
1335 1 80 VAL QG 1 81 SER HA . . 4.610 4.108 3.845 4.203 . 0 0 "[ . 1 . 2]" 1
1336 1 80 VAL QG 1 84 THR H . . 5.180 3.543 3.354 4.274 . 0 0 "[ . 1 . 2]" 1
1337 1 80 VAL QG 1 84 THR HA . . 3.750 2.405 2.081 3.355 . 0 0 "[ . 1 . 2]" 1
1338 1 80 VAL QG 1 86 LYS QD . . 4.450 3.307 2.447 4.087 . 0 0 "[ . 1 . 2]" 1
1339 1 80 VAL QG 1 86 LYS QG . . 3.660 2.277 1.940 3.153 . 0 0 "[ . 1 . 2]" 1
1340 1 80 VAL QG 1 87 SER H . . 4.900 3.757 3.129 4.476 . 0 0 "[ . 1 . 2]" 1
1341 1 81 SER H 1 81 SER QB . . 3.300 2.495 2.177 2.580 . 0 0 "[ . 1 . 2]" 1
1342 1 81 SER H 1 84 THR H . . 5.390 4.502 4.276 4.730 . 0 0 "[ . 1 . 2]" 1
1343 1 81 SER H 1 84 THR HA . . 5.410 4.293 3.911 4.624 . 0 0 "[ . 1 . 2]" 1
1344 1 81 SER H 1 85 HIS H . . 3.940 3.666 3.161 4.045 0.105 4 0 "[ . 1 . 2]" 1
1345 1 81 SER H 1 86 LYS HA . . 4.740 3.589 3.219 3.935 . 0 0 "[ . 1 . 2]" 1
1346 1 81 SER HA 1 82 VAL H . . 3.140 2.449 2.365 2.544 . 0 0 "[ . 1 . 2]" 1
1347 1 81 SER HA 1 82 VAL HA . . 4.340 4.367 4.331 4.442 0.102 4 0 "[ . 1 . 2]" 1
1348 1 81 SER HA 1 82 VAL MG1 . . 4.400 3.807 3.724 3.920 . 0 0 "[ . 1 . 2]" 1
1349 1 81 SER HA 1 82 VAL MG2 . . 4.400 4.160 4.004 4.284 . 0 0 "[ . 1 . 2]" 1
1350 1 81 SER QB 1 82 VAL H . . 3.680 2.553 2.365 3.437 . 0 0 "[ . 1 . 2]" 1
1351 1 81 SER QB 1 84 THR H . . 5.070 4.170 3.335 4.500 . 0 0 "[ . 1 . 2]" 1
1352 1 81 SER QB 1 85 HIS H . . 4.500 3.582 2.267 4.046 . 0 0 "[ . 1 . 2]" 1
1353 1 81 SER QB 1 85 HIS QB . . 4.310 3.203 2.196 3.812 . 0 0 "[ . 1 . 2]" 1
1354 1 82 VAL H 1 82 VAL HB . . 4.160 3.709 3.660 3.750 . 0 0 "[ . 1 . 2]" 1
1355 1 82 VAL H 1 82 VAL MG1 . . 3.240 2.285 2.213 2.351 . 0 0 "[ . 1 . 2]" 1
1356 1 82 VAL H 1 82 VAL MG2 . . 3.240 2.035 1.933 2.101 . 0 0 "[ . 1 . 2]" 1
1357 1 82 VAL HA 1 82 VAL HB . . 2.860 2.483 2.426 2.522 . 0 0 "[ . 1 . 2]" 1
1358 1 82 VAL HA 1 82 VAL MG1 . . 3.600 2.447 2.406 2.483 . 0 0 "[ . 1 . 2]" 1
1359 1 82 VAL HA 1 82 VAL MG2 . . 3.600 3.227 3.189 3.263 . 0 0 "[ . 1 . 2]" 1
1360 1 82 VAL HA 1 84 THR H . . 4.210 3.190 3.094 3.283 . 0 0 "[ . 1 . 2]" 1
1361 1 82 VAL HB 1 83 ASP H . . 4.180 4.230 4.189 4.276 0.096 1 0 "[ . 1 . 2]" 1
1362 1 82 VAL QG 1 83 ASP H . . 3.520 2.702 2.634 2.773 . 0 0 "[ . 1 . 2]" 1
1363 1 82 VAL QG 1 83 ASP HA . . 4.300 3.579 3.463 3.708 . 0 0 "[ . 1 . 2]" 1
1364 1 82 VAL QG 1 83 ASP QB . . 4.000 3.104 2.872 3.251 . 0 0 "[ . 1 . 2]" 1
1365 1 83 ASP H 1 83 ASP QB . . 3.470 2.314 2.274 2.374 . 0 0 "[ . 1 . 2]" 1
1366 1 83 ASP H 1 85 HIS H . . 4.490 3.743 3.465 3.892 . 0 0 "[ . 1 . 2]" 1
1367 1 83 ASP HA 1 84 THR HA . . 5.160 4.980 4.892 5.087 . 0 0 "[ . 1 . 2]" 1
1368 1 83 ASP HA 1 84 THR HB . . 5.500 5.583 4.460 5.995 0.495 9 0 "[ . 1 . 2]" 1
1369 1 83 ASP HA 1 84 THR MG . . 3.710 3.611 3.348 3.991 0.281 10 0 "[ . 1 . 2]" 1
1370 1 83 ASP QB 1 84 THR H . . 4.440 3.669 3.569 3.750 . 0 0 "[ . 1 . 2]" 1
1371 1 84 THR H 1 84 THR HA . . 2.750 2.206 2.175 2.237 . 0 0 "[ . 1 . 2]" 1
1372 1 84 THR H 1 84 THR HB . . 4.000 3.818 3.031 4.112 0.112 15 0 "[ . 1 . 2]" 1
1373 1 84 THR H 1 84 THR MG . . 3.610 2.924 2.575 3.620 0.010 10 0 "[ . 1 . 2]" 1
1374 1 84 THR H 1 85 HIS H . . 3.530 3.156 2.889 3.258 . 0 0 "[ . 1 . 2]" 1
1375 1 84 THR HA 1 84 THR HB . . 2.960 2.473 2.424 2.525 . 0 0 "[ . 1 . 2]" 1
1376 1 84 THR HA 1 84 THR MG . . 3.350 2.611 2.297 3.261 . 0 0 "[ . 1 . 2]" 1
1377 1 85 HIS H 1 85 HIS HB2 . . 3.990 2.493 2.356 2.662 . 0 0 "[ . 1 . 2]" 1
1378 1 85 HIS H 1 85 HIS HB3 . . 3.990 3.035 2.494 3.667 . 0 0 "[ . 1 . 2]" 1
1379 1 85 HIS HA 1 85 HIS HE1 . . 5.050 5.053 4.817 5.379 0.329 17 0 "[ . 1 . 2]" 1
1380 1 85 HIS HA 1 86 LYS H . . 3.440 2.288 2.189 2.396 . 0 0 "[ . 1 . 2]" 1
1381 1 85 HIS QB 1 85 HIS HE1 . . 4.690 4.483 4.407 4.553 . 0 0 "[ . 1 . 2]" 1
1382 1 86 LYS H 1 86 LYS QG . . 5.020 3.580 2.322 4.174 . 0 0 "[ . 1 . 2]" 1
1383 1 86 LYS HA 1 86 LYS QD . . 4.130 3.907 2.958 4.336 0.206 18 0 "[ . 1 . 2]" 1
1384 1 86 LYS HA 1 86 LYS HG2 . . 3.850 2.973 2.416 3.761 . 0 0 "[ . 1 . 2]" 1
1385 1 86 LYS HA 1 86 LYS HG3 . . 3.850 2.820 2.473 3.331 . 0 0 "[ . 1 . 2]" 1
1386 1 86 LYS HA 1 87 SER H . . 2.680 2.257 2.165 2.317 . 0 0 "[ . 1 . 2]" 1
1387 1 86 LYS QB 1 86 LYS QD . . 3.170 2.328 2.084 2.898 . 0 0 "[ . 1 . 2]" 1
1388 1 86 LYS QB 1 87 SER H . . 3.590 3.252 2.595 3.782 0.192 5 0 "[ . 1 . 2]" 1
1389 1 86 LYS QD 1 87 SER H . . 4.840 4.634 3.383 5.022 0.182 15 0 "[ . 1 . 2]" 1
1390 1 86 LYS QG 1 87 SER QB . . 5.180 5.069 4.494 5.885 0.705 2 3 "[ + -. 1 *. 2]" 1
1391 1 86 LYS HG2 1 87 SER H . . 4.550 3.497 2.331 4.971 0.421 20 0 "[ . 1 . 2]" 1
1392 1 86 LYS HG3 1 87 SER H . . 4.550 3.892 2.768 5.129 0.579 9 3 "[ . * +1 - . 2]" 1
1393 1 87 SER H 1 88 ASN H . . 4.500 4.433 4.383 4.489 . 0 0 "[ . 1 . 2]" 1
1394 1 87 SER H 1 88 ASN QB . . 5.340 4.736 4.474 5.238 . 0 0 "[ . 1 . 2]" 1
1395 1 87 SER HA 1 88 ASN H . . 3.170 2.405 2.343 2.538 . 0 0 "[ . 1 . 2]" 1
1396 1 87 SER HB2 1 88 ASN H . . 4.000 3.920 3.663 4.147 0.147 20 0 "[ . 1 . 2]" 1
1397 1 87 SER HB3 1 88 ASN H . . 4.000 3.256 2.485 4.014 0.014 7 0 "[ . 1 . 2]" 1
1398 1 88 ASN H 1 88 ASN HB2 . . 4.200 3.957 3.877 4.033 . 0 0 "[ . 1 . 2]" 1
1399 1 88 ASN H 1 88 ASN HB3 . . 4.200 3.311 3.180 3.418 . 0 0 "[ . 1 . 2]" 1
1400 1 88 ASN H 1 89 GLY H . . 4.700 4.492 4.414 4.542 . 0 0 "[ . 1 . 2]" 1
1401 1 88 ASN HA 1 89 GLY H . . 3.060 2.434 2.361 2.488 . 0 0 "[ . 1 . 2]" 1
1402 1 88 ASN HA 1 89 GLY HA3 . . 4.590 4.350 4.280 4.420 . 0 0 "[ . 1 . 2]" 1
1403 1 88 ASN QB 1 89 GLY H . . 3.220 2.407 2.303 2.496 . 0 0 "[ . 1 . 2]" 1
1404 1 89 GLY HA2 1 90 GLU H . . 3.100 2.573 2.506 2.642 . 0 0 "[ . 1 . 2]" 1
1405 1 89 GLY HA2 1 90 GLU HA . . 4.920 4.587 4.553 4.623 . 0 0 "[ . 1 . 2]" 1
1406 1 89 GLY HA2 1 90 GLU QB . . 4.510 4.114 4.018 4.216 . 0 0 "[ . 1 . 2]" 1
1407 1 89 GLY HA3 1 90 GLU H . . 3.060 2.654 2.580 2.728 . 0 0 "[ . 1 . 2]" 1
1408 1 89 GLY HA3 1 90 GLU HA . . 4.880 4.390 4.348 4.430 . 0 0 "[ . 1 . 2]" 1
1409 1 90 GLU H 1 90 GLU QB . . 3.590 3.196 3.161 3.255 . 0 0 "[ . 1 . 2]" 1
1410 1 90 GLU H 1 90 GLU QG . . 3.560 2.679 2.448 3.225 . 0 0 "[ . 1 . 2]" 1
1411 1 90 GLU H 1 91 TYR QD . . 4.930 4.513 4.337 4.662 . 0 0 "[ . 1 . 2]" 1
1412 1 90 GLU HA 1 91 TYR H . . 2.780 2.362 2.274 2.426 . 0 0 "[ . 1 . 2]" 1
1413 1 90 GLU HA 1 91 TYR HA . . 4.660 4.534 4.479 4.573 . 0 0 "[ . 1 . 2]" 1
1414 1 90 GLU HA 1 91 TYR HB3 . . 5.360 4.558 4.470 4.651 . 0 0 "[ . 1 . 2]" 1
1415 1 90 GLU HA 1 91 TYR QD . . 4.430 3.567 3.376 3.795 . 0 0 "[ . 1 . 2]" 1
1416 1 90 GLU QB 1 91 TYR H . . 3.290 2.758 2.652 2.830 . 0 0 "[ . 1 . 2]" 1
1417 1 90 GLU HG2 1 91 TYR HA . . 5.280 4.936 3.736 5.328 0.048 13 0 "[ . 1 . 2]" 1
1418 1 90 GLU HG3 1 91 TYR HA . . 5.280 3.845 3.463 5.316 0.036 18 0 "[ . 1 . 2]" 1
1419 1 91 TYR H 1 91 TYR HB3 . . 4.120 3.473 3.439 3.513 . 0 0 "[ . 1 . 2]" 1
1420 1 91 TYR H 1 91 TYR QD . . 3.790 3.191 3.061 3.358 . 0 0 "[ . 1 . 2]" 1
1421 1 91 TYR HA 1 91 TYR HB2 . . 3.010 2.463 2.437 2.488 . 0 0 "[ . 1 . 2]" 1
1422 1 91 TYR HA 1 91 TYR HB3 . . 2.940 2.470 2.438 2.501 . 0 0 "[ . 1 . 2]" 1
1423 1 91 TYR HA 1 91 TYR QD . . 3.920 3.805 3.776 3.828 . 0 0 "[ . 1 . 2]" 1
1424 1 91 TYR HA 1 92 SER H . . 2.920 2.463 2.390 2.514 . 0 0 "[ . 1 . 2]" 1
1425 1 91 TYR HA 1 92 SER HA . . 4.720 4.501 4.446 4.553 . 0 0 "[ . 1 . 2]" 1
1426 1 91 TYR HA 1 92 SER QB . . 4.510 4.224 4.125 4.382 . 0 0 "[ . 1 . 2]" 1
1427 1 91 TYR HB2 1 92 SER H . . 3.100 2.540 2.478 2.613 . 0 0 "[ . 1 . 2]" 1
1428 1 91 TYR HB3 1 92 SER H . . 4.090 3.881 3.839 3.933 . 0 0 "[ . 1 . 2]" 1
1429 1 91 TYR QD 1 92 SER H . . 4.130 3.350 3.237 3.506 . 0 0 "[ . 1 . 2]" 1
1430 1 91 TYR QD 1 92 SER HA . . 4.640 3.719 3.506 3.856 . 0 0 "[ . 1 . 2]" 1
1431 1 91 TYR QE 1 93 PHE QE . . 4.200 3.520 2.866 4.091 . 0 0 "[ . 1 . 2]" 1
1432 1 92 SER H 1 92 SER HB2 . . 3.790 3.727 2.630 3.912 0.122 19 0 "[ . 1 . 2]" 1
1433 1 92 SER H 1 92 SER HB3 . . 3.790 3.215 3.084 3.825 0.035 2 0 "[ . 1 . 2]" 1
1434 1 92 SER HA 1 93 PHE H . . 2.830 2.333 2.288 2.373 . 0 0 "[ . 1 . 2]" 1
1435 1 92 SER HA 1 93 PHE QD . . 4.550 3.405 3.205 3.561 . 0 0 "[ . 1 . 2]" 1
1436 1 92 SER QB 1 93 PHE H . . 3.240 2.612 2.495 2.700 . 0 0 "[ . 1 . 2]" 1
1437 1 92 SER QB 1 93 PHE HA . . 4.530 4.249 3.951 4.341 . 0 0 "[ . 1 . 2]" 1
1438 1 93 PHE H 1 93 PHE QD . . 3.770 3.169 3.080 3.290 . 0 0 "[ . 1 . 2]" 1
1439 1 93 PHE H 1 93 PHE QE . . 4.570 4.640 4.550 4.788 0.218 5 0 "[ . 1 . 2]" 1
1440 1 93 PHE H 1 94 LYS H . . 4.620 4.432 4.397 4.468 . 0 0 "[ . 1 . 2]" 1
1441 1 93 PHE H 1 94 LYS HA . . 5.040 4.555 4.469 4.637 . 0 0 "[ . 1 . 2]" 1
1442 1 93 PHE HA 1 93 PHE QD . . 3.870 3.778 3.765 3.790 . 0 0 "[ . 1 . 2]" 1
1443 1 93 PHE HA 1 94 LYS H . . 3.050 2.519 2.466 2.576 . 0 0 "[ . 1 . 2]" 1
1444 1 93 PHE HA 1 94 LYS HA . . 4.630 4.451 4.393 4.505 . 0 0 "[ . 1 . 2]" 1
1445 1 93 PHE HA 1 94 LYS QB . . 4.120 3.923 3.798 4.041 . 0 0 "[ . 1 . 2]" 1
1446 1 93 PHE QB 1 94 LYS H . . 3.140 2.468 2.365 2.548 . 0 0 "[ . 1 . 2]" 1
1447 1 93 PHE QD 1 94 LYS H . . 3.660 2.966 2.878 3.103 . 0 0 "[ . 1 . 2]" 1
1448 1 93 PHE QD 1 94 LYS HA . . 4.780 3.755 3.599 3.861 . 0 0 "[ . 1 . 2]" 1
1449 1 93 PHE QD 1 95 VAL QG . . 4.300 3.126 2.935 3.217 . 0 0 "[ . 1 . 2]" 1
1450 1 93 PHE QE 1 94 LYS H . . 5.500 5.192 5.064 5.355 . 0 0 "[ . 1 . 2]" 1
1451 1 93 PHE QE 1 95 VAL HA . . 4.690 4.103 3.871 4.466 . 0 0 "[ . 1 . 2]" 1
1452 1 94 LYS H 1 94 LYS QB . . 3.020 2.492 2.413 2.564 . 0 0 "[ . 1 . 2]" 1
1453 1 94 LYS H 1 94 LYS QD . . 4.670 4.612 4.501 4.766 0.096 16 0 "[ . 1 . 2]" 1
1454 1 94 LYS H 1 94 LYS HG2 . . 4.550 4.555 4.471 4.635 0.085 13 0 "[ . 1 . 2]" 1
1455 1 94 LYS H 1 94 LYS HG3 . . 4.750 4.778 4.705 4.873 0.123 4 0 "[ . 1 . 2]" 1
1456 1 94 LYS H 1 95 VAL H . . 4.790 4.434 4.378 4.491 . 0 0 "[ . 1 . 2]" 1
1457 1 94 LYS HA 1 94 LYS QD . . 4.650 4.019 3.934 4.114 . 0 0 "[ . 1 . 2]" 1
1458 1 94 LYS HA 1 94 LYS HG2 . . 3.720 3.124 3.022 3.231 . 0 0 "[ . 1 . 2]" 1
1459 1 94 LYS HA 1 94 LYS HG3 . . 3.700 2.630 2.525 2.699 . 0 0 "[ . 1 . 2]" 1
1460 1 94 LYS HA 1 95 VAL H . . 2.770 2.186 2.125 2.254 . 0 0 "[ . 1 . 2]" 1
1461 1 94 LYS HA 1 95 VAL HB . . 4.930 4.703 4.606 4.799 . 0 0 "[ . 1 . 2]" 1
1462 1 94 LYS HA 1 95 VAL QG . . 4.260 3.687 3.533 3.793 . 0 0 "[ . 1 . 2]" 1
1463 1 94 LYS QB 1 94 LYS QD . . 3.280 2.086 2.002 2.173 . 0 0 "[ . 1 . 2]" 1
1464 1 94 LYS QB 1 94 LYS QE . . 3.830 3.571 3.528 3.679 . 0 0 "[ . 1 . 2]" 1
1465 1 94 LYS QB 1 95 VAL H . . 3.460 3.744 3.689 3.824 0.364 9 0 "[ . 1 . 2]" 1
1466 1 94 LYS QD 1 95 VAL QG . . 5.440 5.705 5.525 5.898 0.458 9 0 "[ . 1 . 2]" 1
1467 1 94 LYS QE 1 94 LYS HG2 . . 3.320 2.535 2.410 2.989 . 0 0 "[ . 1 . 2]" 1
1468 1 94 LYS HG2 1 95 VAL H . . 3.920 3.045 2.873 3.304 . 0 0 "[ . 1 . 2]" 1
1469 1 94 LYS HG2 1 95 VAL QG . . 5.290 4.547 4.323 4.777 . 0 0 "[ . 1 . 2]" 1
1470 1 94 LYS HG3 1 95 VAL H . . 3.780 3.255 3.107 3.472 . 0 0 "[ . 1 . 2]" 1
1471 1 95 VAL H 1 95 VAL HB . . 3.410 2.537 2.467 2.588 . 0 0 "[ . 1 . 2]" 1
1472 1 95 VAL H 1 95 VAL MG1 . . 4.250 3.854 3.807 3.901 . 0 0 "[ . 1 . 2]" 1
1473 1 95 VAL H 1 95 VAL MG2 . . 4.250 2.450 2.309 2.541 . 0 0 "[ . 1 . 2]" 1
1474 1 95 VAL HA 1 95 VAL MG1 . . 3.230 2.452 2.417 2.493 . 0 0 "[ . 1 . 2]" 1
1475 1 95 VAL HA 1 95 VAL MG2 . . 3.230 2.351 2.275 2.452 . 0 0 "[ . 1 . 2]" 1
1476 1 95 VAL HA 1 96 GLY H . . 2.610 2.196 2.128 2.256 . 0 0 "[ . 1 . 2]" 1
1477 1 95 VAL HA 1 96 GLY QA . . 4.400 3.942 3.921 3.973 . 0 0 "[ . 1 . 2]" 1
1478 1 95 VAL HA 1 97 GLN H . . 5.500 4.918 3.905 6.310 0.810 18 1 "[ . 1 . + 2]" 1
1479 1 95 VAL HB 1 96 GLY H . . 4.340 4.219 4.144 4.296 . 0 0 "[ . 1 . 2]" 1
1480 1 95 VAL QG 1 96 GLY H . . 3.130 2.642 2.557 2.750 . 0 0 "[ . 1 . 2]" 1
1481 1 95 VAL QG 1 96 GLY QA . . 4.010 3.194 2.888 3.486 . 0 0 "[ . 1 . 2]" 1
1482 1 95 VAL QG 1 97 GLN H . . 3.890 3.221 1.996 4.786 0.896 18 1 "[ . 1 . + 2]" 1
1483 1 95 VAL QG 1 97 GLN HA . . 4.680 4.527 3.744 5.342 0.662 18 1 "[ . 1 . + 2]" 1
1484 1 96 GLY QA 1 97 GLN H . . 3.090 2.441 2.154 2.778 . 0 0 "[ . 1 . 2]" 1
1485 1 97 GLN H 1 97 GLN HB2 . . 4.030 2.866 2.370 3.631 . 0 0 "[ . 1 . 2]" 1
1486 1 97 GLN H 1 97 GLN HB3 . . 4.030 2.834 2.387 3.757 . 0 0 "[ . 1 . 2]" 1
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