NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560128 |
2m4l   |
19012 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4l
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 1313
_Distance_constraint_stats_list.Viol_count 3412
_Distance_constraint_stats_list.Viol_total 12833.656
_Distance_constraint_stats_list.Viol_max 1.748
_Distance_constraint_stats_list.Viol_rms 0.1137
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0244
_Distance_constraint_stats_list.Viol_average_violations_only 0.1881
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.551 0.086 13 0 "[ . 1 . 2]"
1 3 ASP 6.712 0.481 13 0 "[ . 1 . 2]"
1 4 TRP 29.798 1.267 7 20 [******+************-]
1 5 THR 2.746 0.123 19 0 "[ . 1 . 2]"
1 6 GLU 2.114 0.081 13 0 "[ . 1 . 2]"
1 7 LEU 5.077 0.337 20 0 "[ . 1 . 2]"
1 8 ASN 8.806 0.916 10 2 "[ . + - 2]"
1 9 SER 2.845 0.268 17 0 "[ . 1 . 2]"
1 10 ASN 2.275 0.268 17 0 "[ . 1 . 2]"
1 11 ASN 3.712 0.916 10 2 "[ . + - 2]"
1 12 ILE 8.421 0.278 8 0 "[ . 1 . 2]"
1 13 ILE 9.646 0.825 8 1 "[ . + 1 . 2]"
1 14 GLY 2.624 0.404 10 0 "[ . 1 . 2]"
1 15 TYR 16.571 1.577 4 12 "[***+* * *- ****]"
1 16 TRP 49.417 1.613 12 19 "[***** ***-*+********]"
1 17 SER 0.783 0.085 10 0 "[ . 1 . 2]"
1 18 THR 16.929 0.934 11 18 "[** ***-**+*********]"
1 19 GLY 6.140 0.608 11 3 "[ * -. 1+ . 2]"
1 20 ILE 3.437 0.608 11 1 "[ . 1+ . 2]"
1 21 GLU 4.626 0.981 6 3 "[ .+ 1 . - *]"
1 22 GLY 1.068 0.084 20 0 "[ . 1 . 2]"
1 23 THR 5.173 0.563 12 2 "[ . - + . 2]"
1 24 HIS 19.886 0.719 13 20 [**-*********+*******]
1 25 LYS 36.438 1.213 13 20 [**-*********+*******]
1 26 LEU 25.168 1.185 11 20 [********-*+*********]
1 27 LEU 36.889 1.404 12 20 [********-**+********]
1 28 SER 1.662 0.085 3 0 "[ . 1 . 2]"
1 29 PHE 7.608 0.122 14 0 "[ . 1 . 2]"
1 30 ASP 8.819 0.360 7 0 "[ . 1 . 2]"
1 31 GLU 1.409 0.087 17 0 "[ . 1 . 2]"
1 32 ASP 3.017 0.145 12 0 "[ . 1 . 2]"
1 33 GLY 1.290 0.087 17 0 "[ . 1 . 2]"
1 34 THR 5.721 0.648 12 1 "[ . 1 + . 2]"
1 35 GLY 0.374 0.082 13 0 "[ . 1 . 2]"
1 36 SER 2.961 0.115 20 0 "[ . 1 . 2]"
1 37 PHE 4.354 1.213 13 1 "[ . 1 + . 2]"
1 38 GLY 2.964 0.101 1 0 "[ . 1 . 2]"
1 39 ILE 4.524 0.599 6 2 "[ .+ 1 . -]"
1 40 TYR 9.877 0.647 4 2 "[ +. 1 . -]"
1 41 SER 7.596 0.563 12 2 "[ . - + . 2]"
1 42 ASN 5.575 0.981 6 3 "[ .+ 1 . - *]"
1 43 ALA 1.364 0.113 8 0 "[ . 1 . 2]"
1 44 THR 5.409 0.305 8 0 "[ . 1 . 2]"
1 45 PRO 14.985 0.480 14 0 "[ . 1 . 2]"
1 46 ILE 37.408 1.059 14 17 "[*********1 **+.****-]"
1 47 SER 16.188 1.059 14 17 "[*-*******1 **+.*****]"
1 48 PHE 3.473 0.101 5 0 "[ . 1 . 2]"
1 49 GLN 2.885 0.420 19 0 "[ . 1 . 2]"
1 50 MET 10.859 0.504 6 1 "[ .+ 1 . 2]"
1 51 PHE 53.181 1.748 18 20 [*************-***+**]
1 52 ASP 13.896 0.804 16 6 "[ . 1 ***.+- *2]"
1 53 TYR 10.023 1.200 15 7 "[ . *1* -*+** 2]"
1 54 LYS 12.310 0.735 7 7 "[ *- + *1 .** *2]"
1 55 ILE 20.844 1.089 15 9 "[** -. * 1* *+** 2]"
1 56 GLU 3.027 0.088 12 0 "[ . 1 . 2]"
1 57 GLU 4.401 0.097 20 0 "[ . 1 . 2]"
1 58 GLY 3.914 0.111 7 0 "[ . 1 . 2]"
1 59 ARG 4.087 0.638 15 1 "[ . 1 + 2]"
1 60 ILE 21.169 1.200 15 9 "[*- . *1* **+** 2]"
1 61 TYR 14.090 0.750 15 7 "[ * ** * 1 +* -2]"
1 62 ILE 23.407 1.217 18 19 "[ ************-***+**]"
1 63 TYR 35.155 1.748 18 20 [****-************+**]
1 64 ASP 6.196 1.194 16 2 "[ . 1 -.+ 2]"
1 65 VAL 9.273 1.113 5 6 "[ * + * 1 * - * 2]"
1 66 TYR 11.246 0.608 4 6 "[ +.* 1 * -** 2]"
1 67 PRO 21.612 0.608 4 7 "[ +.*- 1 * *** 2]"
1 68 ASP 11.403 0.504 15 2 "[ . - 1 + 2]"
1 69 GLU 16.013 0.864 19 18 "[- ************* **+*]"
1 70 LYS 30.714 1.681 15 19 "[-*************+ ****]"
1 71 THR 38.012 1.096 11 20 [**********+*-*******]
1 72 PRO 45.308 1.096 11 20 [**********+*******-*]
1 73 TYR 7.119 1.681 15 2 "[ . 1 - + 2]"
1 74 TYR 4.804 0.574 7 1 "[ . + 1 . 2]"
1 75 LEU 3.437 0.114 15 0 "[ . 1 . 2]"
1 76 ASP 10.456 0.649 14 5 "[ * . * 1 +* -2]"
1 77 CYS 21.508 0.541 7 8 "[ * * +*-* * . *2]"
1 78 LYS 20.912 0.621 6 3 "[ -+ 1* . 2]"
1 79 ILE 13.084 0.990 1 9 "[+- * ** * * *.* 2]"
1 80 SER 6.554 0.507 12 1 "[ . 1 + . 2]"
1 81 GLY 2.474 0.469 13 0 "[ . 1 . 2]"
1 82 THR 1.340 0.507 12 1 "[ . 1 + . 2]"
1 83 THR 4.579 0.125 20 0 "[ . 1 . 2]"
1 84 LEU 67.272 1.613 12 17 "[***** ***-*+ ******2]"
1 85 LYS 15.804 1.267 7 5 "[ * + 1 *. * -]"
1 86 VAL 5.163 0.114 5 0 "[ . 1 . 2]"
1 87 GLU 5.927 0.649 14 4 "[ * . * 1 +. -2]"
1 88 THR 7.287 0.391 3 0 "[ . 1 . 2]"
1 89 GLY 3.993 0.094 19 0 "[ . 1 . 2]"
1 90 SER 7.923 0.644 9 1 "[ . +1 . 2]"
1 91 GLU 7.946 0.644 9 1 "[ . +1 . 2]"
1 92 ALA 5.990 0.093 20 0 "[ . 1 . 2]"
1 93 GLY 9.573 0.556 14 6 "[ *. * * +.* - 2]"
1 94 THR 16.915 0.633 1 11 "[+ **. ** * *.* **-]"
1 95 TYR 30.080 1.435 19 13 "[* *** **** * *.* +-]"
1 96 LYS 0.555 0.084 9 0 "[ . 1 . 2]"
1 97 LYS 5.199 0.913 13 5 "[ * . * 1*-+ . 2]"
1 98 GLN 1.311 0.423 15 0 "[ . 1 . 2]"
1 99 LYS 20.164 1.577 4 16 "[***+* * *****- ****]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU HA 1 3 ASP H . . 2.780 2.244 2.040 2.615 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 4 TRP H . . 5.500 5.210 4.315 5.586 0.086 13 0 "[ . 1 . 2]" 1
3 1 3 ASP H 1 3 ASP HB3 . . 3.340 3.563 2.525 3.821 0.481 13 0 "[ . 1 . 2]" 1
4 1 3 ASP H 1 4 TRP H . . 4.090 3.910 3.193 4.177 0.087 2 0 "[ . 1 . 2]" 1
5 1 3 ASP H 1 4 TRP HD1 . . 5.490 4.294 3.194 5.117 . 0 0 "[ . 1 . 2]" 1
6 1 3 ASP HA 1 4 TRP H . . 2.660 2.161 1.968 2.514 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 4 TRP HD1 . . 4.620 4.192 3.500 4.676 0.056 17 0 "[ . 1 . 2]" 1
8 1 3 ASP HB3 1 4 TRP H . . 4.340 3.886 3.228 4.384 0.044 10 0 "[ . 1 . 2]" 1
9 1 4 TRP H 1 4 TRP HB3 . . 3.480 3.637 3.528 3.750 0.270 14 0 "[ . 1 . 2]" 1
10 1 4 TRP H 1 4 TRP HD1 . . 3.480 3.034 2.487 3.336 . 0 0 "[ . 1 . 2]" 1
11 1 4 TRP H 1 4 TRP HE1 . . 5.500 5.293 4.633 5.579 0.079 5 0 "[ . 1 . 2]" 1
12 1 4 TRP H 1 5 THR H . . 4.730 4.612 4.420 4.780 0.050 20 0 "[ . 1 . 2]" 1
13 1 4 TRP HA 1 4 TRP HD1 . . 4.080 4.131 4.031 4.169 0.089 3 0 "[ . 1 . 2]" 1
14 1 4 TRP HA 1 4 TRP HE3 . . 3.380 2.868 2.423 3.443 0.063 5 0 "[ . 1 . 2]" 1
15 1 4 TRP HA 1 5 THR H . . 2.790 2.456 2.304 2.725 . 0 0 "[ . 1 . 2]" 1
16 1 4 TRP HB3 1 4 TRP HD1 . . 3.000 3.790 3.681 3.887 0.887 5 20 [**-*+***************] 1
17 1 4 TRP HB3 1 5 THR H . . 4.000 2.658 2.086 2.894 . 0 0 "[ . 1 . 2]" 1
18 1 4 TRP HB3 1 79 ILE H . . 4.640 2.972 2.731 3.172 . 0 0 "[ . 1 . 2]" 1
19 1 4 TRP HD1 1 78 LYS HD3 . . 5.500 4.248 2.799 5.479 . 0 0 "[ . 1 . 2]" 1
20 1 4 TRP HD1 1 78 LYS HG3 . . 5.500 5.160 3.651 5.718 0.218 6 0 "[ . 1 . 2]" 1
21 1 4 TRP HE1 1 78 LYS HD3 . . 5.500 4.340 2.673 5.583 0.083 10 0 "[ . 1 . 2]" 1
22 1 4 TRP HE1 1 85 LYS HD3 . . 4.440 3.161 2.418 4.360 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP HE3 1 5 THR H . . 4.250 3.126 2.784 3.670 . 0 0 "[ . 1 . 2]" 1
24 1 4 TRP HE3 1 78 LYS HB3 . . 4.260 3.146 2.881 3.449 . 0 0 "[ . 1 . 2]" 1
25 1 4 TRP HE3 1 79 ILE H . . 4.320 2.964 2.744 3.434 . 0 0 "[ . 1 . 2]" 1
26 1 4 TRP HE3 1 79 ILE HA . . 4.120 3.263 2.830 3.805 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP HE3 1 80 SER H . . 4.700 3.440 3.138 3.719 . 0 0 "[ . 1 . 2]" 1
28 1 4 TRP HE3 1 80 SER HB3 . . 5.500 3.661 2.359 4.383 . 0 0 "[ . 1 . 2]" 1
29 1 4 TRP HH2 1 80 SER H . . 4.810 4.808 4.598 4.878 0.068 3 0 "[ . 1 . 2]" 1
30 1 4 TRP HH2 1 83 THR HB . . 4.220 2.639 2.216 3.194 . 0 0 "[ . 1 . 2]" 1
31 1 4 TRP HH2 1 83 THR MG . . 2.740 1.997 1.888 2.094 . 0 0 "[ . 1 . 2]" 1
32 1 4 TRP HH2 1 85 LYS H . . 5.140 4.377 3.658 4.828 . 0 0 "[ . 1 . 2]" 1
33 1 4 TRP HH2 1 85 LYS HA . . 5.160 4.897 4.265 5.241 0.081 20 0 "[ . 1 . 2]" 1
34 1 4 TRP HH2 1 85 LYS HB3 . . 4.460 3.835 3.386 4.123 . 0 0 "[ . 1 . 2]" 1
35 1 4 TRP HH2 1 85 LYS HD3 . . 4.910 4.711 4.156 6.177 1.267 7 4 "[ . + 1 *. * -]" 1
36 1 4 TRP HZ2 1 83 THR MG . . 3.380 3.491 3.477 3.505 0.125 20 0 "[ . 1 . 2]" 1
37 1 4 TRP HZ2 1 85 LYS HD3 . . 4.740 2.973 2.281 4.064 . 0 0 "[ . 1 . 2]" 1
38 1 4 TRP HZ2 1 85 LYS HG3 . . 4.800 4.657 4.194 4.877 0.077 14 0 "[ . 1 . 2]" 1
39 1 4 TRP HZ3 1 78 LYS HB3 . . 5.500 4.792 4.552 4.898 . 0 0 "[ . 1 . 2]" 1
40 1 4 TRP HZ3 1 79 ILE HA . . 4.010 2.611 2.435 3.157 . 0 0 "[ . 1 . 2]" 1
41 1 4 TRP HZ3 1 79 ILE HG13 . . 5.500 4.383 4.049 5.102 . 0 0 "[ . 1 . 2]" 1
42 1 4 TRP HZ3 1 80 SER H . . 4.540 2.493 2.206 2.617 . 0 0 "[ . 1 . 2]" 1
43 1 4 TRP HZ3 1 83 THR HB . . 4.090 2.709 2.396 3.157 . 0 0 "[ . 1 . 2]" 1
44 1 4 TRP HZ3 1 83 THR MG . . 3.630 3.419 3.043 3.698 0.068 19 0 "[ . 1 . 2]" 1
45 1 4 TRP HZ3 1 85 LYS H . . 4.640 4.248 3.625 4.723 0.083 20 0 "[ . 1 . 2]" 1
46 1 5 THR H 1 5 THR HB . . 3.870 3.491 2.673 3.797 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR H 1 5 THR MG . . 3.260 2.985 2.597 3.383 0.123 19 0 "[ . 1 . 2]" 1
48 1 5 THR H 1 6 GLU H . . 4.460 4.497 4.365 4.534 0.074 15 0 "[ . 1 . 2]" 1
49 1 5 THR H 1 79 ILE H . . 4.220 3.715 3.042 4.094 . 0 0 "[ . 1 . 2]" 1
50 1 5 THR H 1 79 ILE HA . . 5.500 5.296 4.939 5.572 0.072 20 0 "[ . 1 . 2]" 1
51 1 5 THR H 1 79 ILE MG . . 4.470 4.028 3.617 4.558 0.088 19 0 "[ . 1 . 2]" 1
52 1 5 THR H 1 80 SER HB3 . . 5.380 4.507 3.280 5.131 . 0 0 "[ . 1 . 2]" 1
53 1 5 THR HA 1 5 THR MG . . 2.960 2.280 2.170 2.432 . 0 0 "[ . 1 . 2]" 1
54 1 5 THR HA 1 6 GLU H . . 2.950 2.409 2.222 2.527 . 0 0 "[ . 1 . 2]" 1
55 1 5 THR HB 1 6 GLU H . . 3.200 2.377 2.149 2.819 . 0 0 "[ . 1 . 2]" 1
56 1 5 THR HB 1 79 ILE MG . . 5.480 3.958 3.325 4.531 . 0 0 "[ . 1 . 2]" 1
57 1 5 THR MG 1 6 GLU H . . 3.570 3.141 2.016 3.651 0.081 13 0 "[ . 1 . 2]" 1
58 1 5 THR MG 1 11 ASN QD . . 3.940 3.782 3.380 3.877 . 0 0 "[ . 1 . 2]" 1
59 1 5 THR MG 1 80 SER HB3 . . 5.470 4.691 3.053 5.584 0.114 6 0 "[ . 1 . 2]" 1
60 1 6 GLU H 1 7 LEU H . . 4.480 4.517 4.370 4.554 0.074 8 0 "[ . 1 . 2]" 1
61 1 6 GLU H 1 11 ASN QD . . 5.500 4.274 3.984 4.686 . 0 0 "[ . 1 . 2]" 1
62 1 6 GLU H 1 79 ILE MG . . 5.500 4.998 4.678 5.383 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLU HA 1 7 LEU H . . 2.510 2.148 2.036 2.244 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLU HA 1 79 ILE MG . . 5.300 4.784 4.367 5.333 0.033 8 0 "[ . 1 . 2]" 1
65 1 7 LEU H 1 7 LEU HB3 . . 3.160 2.662 2.347 3.066 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU H 1 7 LEU QD . . 4.070 3.560 2.868 3.750 . 0 0 "[ . 1 . 2]" 1
67 1 7 LEU H 1 8 ASN H . . 5.010 4.455 4.007 4.661 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU H 1 58 GLY HA2 . . 4.880 3.517 2.951 4.241 . 0 0 "[ . 1 . 2]" 1
69 1 7 LEU H 1 79 ILE MG . . 4.600 3.951 3.334 4.602 0.002 10 0 "[ . 1 . 2]" 1
70 1 7 LEU HA 1 7 LEU QD . . 3.150 2.310 2.110 2.886 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU HA 1 7 LEU HG . . 3.200 2.648 1.951 3.037 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU HA 1 8 ASN H . . 2.720 2.193 2.068 2.355 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU HA 1 11 ASN H . . 5.300 5.276 4.967 5.371 0.071 9 0 "[ . 1 . 2]" 1
74 1 7 LEU HA 1 11 ASN QD . . 3.420 2.813 2.418 3.220 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU HA 1 79 ILE MG . . 3.050 2.277 1.966 2.751 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU HB3 1 8 ASN H . . 4.090 3.987 3.494 4.185 0.095 13 0 "[ . 1 . 2]" 1
77 1 7 LEU HB3 1 58 GLY H . . 5.450 4.581 3.836 5.065 . 0 0 "[ . 1 . 2]" 1
78 1 7 LEU HB3 1 58 GLY HA2 . . 4.390 2.612 2.259 2.980 . 0 0 "[ . 1 . 2]" 1
79 1 7 LEU QD 1 8 ASN H . . 3.610 3.111 2.452 3.577 . 0 0 "[ . 1 . 2]" 1
80 1 7 LEU QD 1 11 ASN QD . . 5.220 4.030 3.731 4.563 . 0 0 "[ . 1 . 2]" 1
81 1 7 LEU QD 1 12 ILE H . . 4.410 4.109 3.660 4.364 . 0 0 "[ . 1 . 2]" 1
82 1 7 LEU QD 1 12 ILE HB . . 3.240 2.707 2.259 3.183 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU QD 1 12 ILE MD . . 3.160 2.431 2.006 3.091 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU QD 1 55 ILE MG . . 3.430 2.764 2.059 3.450 0.020 6 0 "[ . 1 . 2]" 1
85 1 7 LEU QD 1 58 GLY H . . 5.500 4.677 4.332 5.244 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU QD 1 58 GLY HA2 . . 4.170 3.543 3.106 4.132 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU QD 1 58 GLY HA3 . . 5.200 4.259 3.721 4.729 . 0 0 "[ . 1 . 2]" 1
88 1 7 LEU QD 1 59 ARG H . . 4.430 3.433 3.016 4.200 . 0 0 "[ . 1 . 2]" 1
89 1 7 LEU QD 1 59 ARG HA . . 3.940 2.405 2.068 3.475 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU QD 1 77 CYS H . . 5.090 3.366 2.910 3.904 . 0 0 "[ . 1 . 2]" 1
91 1 7 LEU QD 1 77 CYS HB3 . . 3.950 3.928 3.420 4.287 0.337 20 0 "[ . 1 . 2]" 1
92 1 7 LEU QD 1 78 LYS H . . 5.350 3.938 3.119 4.517 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU QD 1 78 LYS HA . . 4.140 2.935 1.954 3.718 . 0 0 "[ . 1 . 2]" 1
94 1 7 LEU QD 1 79 ILE HB . . 4.620 2.470 2.177 2.991 . 0 0 "[ . 1 . 2]" 1
95 1 7 LEU QD 1 79 ILE MG . . 2.980 2.187 1.979 2.574 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU QD 1 84 LEU QD . . 3.640 3.090 2.621 3.335 . 0 0 "[ . 1 . 2]" 1
97 1 7 LEU HG 1 8 ASN H . . 3.980 3.222 2.623 3.890 . 0 0 "[ . 1 . 2]" 1
98 1 7 LEU HG 1 8 ASN HA . . 5.410 4.510 3.663 5.515 0.105 11 0 "[ . 1 . 2]" 1
99 1 7 LEU HG 1 12 ILE MD . . 5.240 4.284 3.550 4.827 . 0 0 "[ . 1 . 2]" 1
100 1 7 LEU HG 1 55 ILE MG . . 3.880 3.358 2.481 4.001 0.121 19 0 "[ . 1 . 2]" 1
101 1 7 LEU HG 1 58 GLY HA2 . . 5.180 4.657 4.061 5.074 . 0 0 "[ . 1 . 2]" 1
102 1 8 ASN H 1 8 ASN HD21 . . 5.500 3.531 2.338 4.347 . 0 0 "[ . 1 . 2]" 1
103 1 8 ASN H 1 8 ASN HD22 . . 5.500 4.411 3.743 5.137 . 0 0 "[ . 1 . 2]" 1
104 1 8 ASN H 1 9 SER H . . 5.020 4.353 4.228 4.544 . 0 0 "[ . 1 . 2]" 1
105 1 8 ASN H 1 10 ASN H . . 4.970 4.320 3.387 5.045 0.075 7 0 "[ . 1 . 2]" 1
106 1 8 ASN H 1 11 ASN H . . 4.010 3.467 3.244 3.769 . 0 0 "[ . 1 . 2]" 1
107 1 8 ASN H 1 11 ASN HB3 . . 4.880 4.192 2.573 5.209 0.329 10 0 "[ . 1 . 2]" 1
108 1 8 ASN H 1 11 ASN QD . . 3.910 2.930 2.665 3.557 . 0 0 "[ . 1 . 2]" 1
109 1 8 ASN H 1 12 ILE H . . 4.380 3.961 3.579 4.425 0.045 13 0 "[ . 1 . 2]" 1
110 1 8 ASN HA 1 8 ASN HD22 . . 5.500 4.821 4.312 5.397 . 0 0 "[ . 1 . 2]" 1
111 1 8 ASN HA 1 9 SER H . . 3.010 2.473 2.315 2.679 . 0 0 "[ . 1 . 2]" 1
112 1 8 ASN HA 1 10 ASN H . . 5.500 4.352 4.099 4.739 . 0 0 "[ . 1 . 2]" 1
113 1 8 ASN HA 1 55 ILE MD . . 4.810 4.330 3.548 4.881 0.071 7 0 "[ . 1 . 2]" 1
114 1 8 ASN HA 1 55 ILE MG . . 3.280 2.217 2.043 2.483 . 0 0 "[ . 1 . 2]" 1
115 1 8 ASN HB3 1 8 ASN HD21 . . 3.500 3.046 2.245 3.667 0.167 13 0 "[ . 1 . 2]" 1
116 1 8 ASN HB3 1 8 ASN HD22 . . 3.800 3.858 3.530 4.090 0.290 7 0 "[ . 1 . 2]" 1
117 1 8 ASN HB3 1 9 SER H . . 3.440 2.740 2.167 3.529 0.089 1 0 "[ . 1 . 2]" 1
118 1 8 ASN HB3 1 55 ILE MG . . 4.890 4.165 3.678 4.541 . 0 0 "[ . 1 . 2]" 1
119 1 8 ASN HD21 1 9 SER H . . 5.450 5.336 4.696 5.518 0.068 12 0 "[ . 1 . 2]" 1
120 1 8 ASN HD21 1 10 ASN H . . 5.500 5.151 4.514 5.581 0.081 15 0 "[ . 1 . 2]" 1
121 1 8 ASN HD21 1 11 ASN HB3 . . 5.210 5.016 4.475 6.126 0.916 10 2 "[ . + - 2]" 1
122 1 8 ASN HD21 1 11 ASN QD . . 5.500 2.742 1.982 4.136 . 0 0 "[ . 1 . 2]" 1
123 1 8 ASN HD22 1 11 ASN QD . . 5.020 3.245 2.289 4.050 . 0 0 "[ . 1 . 2]" 1
124 1 9 SER H 1 9 SER HB3 . . 3.480 2.876 2.484 3.478 . 0 0 "[ . 1 . 2]" 1
125 1 9 SER H 1 10 ASN H . . 3.460 2.989 2.449 3.395 . 0 0 "[ . 1 . 2]" 1
126 1 9 SER H 1 55 ILE HB . . 4.680 3.222 2.498 3.659 . 0 0 "[ . 1 . 2]" 1
127 1 9 SER H 1 55 ILE HG13 . . 5.200 3.332 2.734 3.928 . 0 0 "[ . 1 . 2]" 1
128 1 9 SER H 1 55 ILE MG . . 4.520 3.400 2.743 3.874 . 0 0 "[ . 1 . 2]" 1
129 1 9 SER HA 1 12 ILE H . . 4.520 4.163 3.546 4.600 0.080 10 0 "[ . 1 . 2]" 1
130 1 9 SER HA 1 12 ILE MG . . 3.550 2.622 2.102 3.225 . 0 0 "[ . 1 . 2]" 1
131 1 9 SER HA 1 55 ILE H . . 5.160 4.995 4.197 5.232 0.072 6 0 "[ . 1 . 2]" 1
132 1 9 SER HA 1 55 ILE MD . . 4.000 3.745 3.241 4.084 0.084 20 0 "[ . 1 . 2]" 1
133 1 9 SER HA 1 55 ILE HG13 . . 3.580 2.479 2.041 3.399 . 0 0 "[ . 1 . 2]" 1
134 1 9 SER HB3 1 10 ASN H . . 4.460 3.762 2.377 4.728 0.268 17 0 "[ . 1 . 2]" 1
135 1 9 SER HB3 1 55 ILE HB . . 5.160 4.193 2.903 5.109 . 0 0 "[ . 1 . 2]" 1
136 1 9 SER HB3 1 55 ILE HG13 . . 5.170 4.319 2.907 5.237 0.067 7 0 "[ . 1 . 2]" 1
137 1 10 ASN H 1 10 ASN HD21 . . 4.710 3.756 2.097 4.601 . 0 0 "[ . 1 . 2]" 1
138 1 10 ASN H 1 12 ILE H . . 4.490 3.814 2.648 4.558 0.068 18 0 "[ . 1 . 2]" 1
139 1 10 ASN HA 1 10 ASN HD21 . . 4.500 2.683 2.183 3.555 . 0 0 "[ . 1 . 2]" 1
140 1 10 ASN HA 1 10 ASN HD22 . . 5.220 3.765 3.296 4.462 . 0 0 "[ . 1 . 2]" 1
141 1 10 ASN HA 1 12 ILE MG . . 5.210 4.395 3.771 4.824 . 0 0 "[ . 1 . 2]" 1
142 1 10 ASN HA 1 13 ILE H . . 4.560 3.926 3.596 4.621 0.061 8 0 "[ . 1 . 2]" 1
143 1 10 ASN HA 1 13 ILE HB . . 4.700 3.982 3.379 4.652 . 0 0 "[ . 1 . 2]" 1
144 1 10 ASN HA 1 13 ILE MD . . 3.480 3.379 3.150 3.556 0.076 3 0 "[ . 1 . 2]" 1
145 1 10 ASN HA 1 13 ILE HG13 . . 4.150 2.703 2.369 3.094 . 0 0 "[ . 1 . 2]" 1
146 1 10 ASN HA 1 13 ILE MG . . 5.380 4.469 4.062 4.892 . 0 0 "[ . 1 . 2]" 1
147 1 10 ASN HD21 1 13 ILE MD . . 5.500 4.691 3.925 5.572 0.072 12 0 "[ . 1 . 2]" 1
148 1 11 ASN H 1 11 ASN HB3 . . 3.690 3.292 2.781 3.727 0.037 8 0 "[ . 1 . 2]" 1
149 1 11 ASN H 1 11 ASN QD . . 4.450 3.957 3.466 4.281 . 0 0 "[ . 1 . 2]" 1
150 1 11 ASN H 1 12 ILE H . . 3.230 2.629 2.337 2.942 . 0 0 "[ . 1 . 2]" 1
151 1 11 ASN H 1 12 ILE HB . . 5.120 4.896 4.558 5.175 0.055 19 0 "[ . 1 . 2]" 1
152 1 11 ASN H 1 13 ILE H . . 4.780 4.257 4.005 4.575 . 0 0 "[ . 1 . 2]" 1
153 1 11 ASN HA 1 11 ASN HB3 . . 2.910 2.464 2.243 2.984 0.074 2 0 "[ . 1 . 2]" 1
154 1 11 ASN HA 1 13 ILE H . . 4.390 4.042 3.772 4.456 0.066 7 0 "[ . 1 . 2]" 1
155 1 11 ASN HA 1 79 ILE MD . . 4.740 3.861 3.393 4.279 . 0 0 "[ . 1 . 2]" 1
156 1 11 ASN HB3 1 79 ILE MD . . 4.520 2.981 2.074 4.279 . 0 0 "[ . 1 . 2]" 1
157 1 11 ASN QD 1 79 ILE MG . . 3.860 2.421 1.884 3.026 . 0 0 "[ . 1 . 2]" 1
158 1 12 ILE H 1 12 ILE HB . . 3.070 2.565 2.333 2.812 . 0 0 "[ . 1 . 2]" 1
159 1 12 ILE H 1 12 ILE MD . . 4.920 4.225 3.981 4.511 . 0 0 "[ . 1 . 2]" 1
160 1 12 ILE H 1 12 ILE HG13 . . 4.800 4.489 4.426 4.586 . 0 0 "[ . 1 . 2]" 1
161 1 12 ILE H 1 13 ILE H . . 3.420 2.669 2.432 3.276 . 0 0 "[ . 1 . 2]" 1
162 1 12 ILE H 1 13 ILE HB . . 5.100 5.042 4.655 5.167 0.067 20 0 "[ . 1 . 2]" 1
163 1 12 ILE H 1 13 ILE HG13 . . 5.260 5.279 4.906 5.537 0.277 5 0 "[ . 1 . 2]" 1
164 1 12 ILE H 1 55 ILE MD . . 5.070 5.064 4.830 5.167 0.097 11 0 "[ . 1 . 2]" 1
165 1 12 ILE HA 1 12 ILE HB . . 3.010 2.394 2.260 2.493 . 0 0 "[ . 1 . 2]" 1
166 1 12 ILE HA 1 12 ILE MD . . 2.980 2.427 2.125 3.085 0.105 8 0 "[ . 1 . 2]" 1
167 1 12 ILE HA 1 16 TRP HE1 . . 4.120 3.754 3.443 4.138 0.018 13 0 "[ . 1 . 2]" 1
168 1 12 ILE HA 1 16 TRP HZ2 . . 3.030 2.324 2.004 2.813 . 0 0 "[ . 1 . 2]" 1
169 1 12 ILE HA 1 79 ILE MD . . 3.240 2.157 1.958 2.912 . 0 0 "[ . 1 . 2]" 1
170 1 12 ILE HB 1 12 ILE MD . . 3.370 2.296 2.193 2.416 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE HB 1 13 ILE H . . 4.700 4.295 4.124 4.723 0.023 8 0 "[ . 1 . 2]" 1
172 1 12 ILE HB 1 16 TRP HZ2 . . 4.590 4.550 3.804 4.679 0.089 6 0 "[ . 1 . 2]" 1
173 1 12 ILE MD 1 13 ILE H . . 5.500 4.969 4.768 5.381 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE MD 1 16 TRP HD1 . . 4.650 4.500 3.922 4.748 0.098 19 0 "[ . 1 . 2]" 1
175 1 12 ILE MD 1 16 TRP HE1 . . 4.170 3.185 2.647 3.791 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE MD 1 16 TRP HZ2 . . 3.520 3.074 2.532 3.616 0.096 2 0 "[ . 1 . 2]" 1
177 1 12 ILE MD 1 29 PHE HB3 . . 5.500 4.899 4.340 5.432 . 0 0 "[ . 1 . 2]" 1
178 1 12 ILE MD 1 29 PHE QD . . 4.070 3.454 2.843 4.042 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE MD 1 29 PHE QE . . 3.540 3.248 2.843 3.635 0.095 17 0 "[ . 1 . 2]" 1
180 1 12 ILE MD 1 55 ILE MD . . 4.360 3.992 3.047 4.492 0.132 18 0 "[ . 1 . 2]" 1
181 1 12 ILE MD 1 60 ILE MD . . 3.640 2.697 2.065 3.760 0.120 15 0 "[ . 1 . 2]" 1
182 1 12 ILE MD 1 60 ILE MG . . 4.620 4.539 3.971 4.739 0.119 4 0 "[ . 1 . 2]" 1
183 1 12 ILE MD 1 79 ILE MD . . 3.890 2.432 1.964 3.984 0.094 8 0 "[ . 1 . 2]" 1
184 1 12 ILE MD 1 84 LEU QD . . 3.640 2.157 1.855 2.781 . 0 0 "[ . 1 . 2]" 1
185 1 12 ILE HG13 1 29 PHE HB3 . . 4.950 3.662 2.918 4.995 0.045 2 0 "[ . 1 . 2]" 1
186 1 12 ILE HG13 1 29 PHE QD . . 4.850 2.967 2.605 3.836 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE HG13 1 29 PHE QE . . 5.430 3.959 3.457 4.505 . 0 0 "[ . 1 . 2]" 1
188 1 12 ILE MG 1 13 ILE HA . . 4.280 3.482 3.162 4.254 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE MG 1 13 ILE MD . . 4.140 2.239 1.983 2.685 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE MG 1 13 ILE HG13 . . 4.760 4.473 3.893 5.038 0.278 8 0 "[ . 1 . 2]" 1
191 1 12 ILE MG 1 16 TRP HE1 . . 5.500 4.735 4.313 5.199 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE MG 1 29 PHE HB3 . . 4.510 3.165 2.597 3.656 . 0 0 "[ . 1 . 2]" 1
193 1 13 ILE H 1 13 ILE HB . . 2.950 2.583 2.389 2.752 . 0 0 "[ . 1 . 2]" 1
194 1 13 ILE H 1 13 ILE MD . . 3.780 2.731 2.341 3.461 . 0 0 "[ . 1 . 2]" 1
195 1 13 ILE H 1 13 ILE HG13 . . 3.300 3.487 3.373 4.125 0.825 8 1 "[ . + 1 . 2]" 1
196 1 13 ILE H 1 13 ILE MG . . 3.780 3.734 3.693 3.862 0.082 8 0 "[ . 1 . 2]" 1
197 1 13 ILE H 1 14 GLY H . . 4.590 4.532 4.352 4.639 0.049 3 0 "[ . 1 . 2]" 1
198 1 13 ILE H 1 16 TRP HZ2 . . 5.500 4.601 4.075 5.238 . 0 0 "[ . 1 . 2]" 1
199 1 13 ILE HA 1 13 ILE MD . . 3.420 2.229 2.151 2.358 . 0 0 "[ . 1 . 2]" 1
200 1 13 ILE HA 1 13 ILE HG13 . . 4.000 3.804 3.729 3.869 . 0 0 "[ . 1 . 2]" 1
201 1 13 ILE HA 1 13 ILE MG . . 3.270 2.381 2.281 2.473 . 0 0 "[ . 1 . 2]" 1
202 1 13 ILE HA 1 14 GLY H . . 2.750 2.174 2.103 2.249 . 0 0 "[ . 1 . 2]" 1
203 1 13 ILE HA 1 16 TRP HE1 . . 5.130 4.382 4.024 5.043 . 0 0 "[ . 1 . 2]" 1
204 1 13 ILE HA 1 29 PHE H . . 4.320 4.263 3.858 4.392 0.072 12 0 "[ . 1 . 2]" 1
205 1 13 ILE HA 1 29 PHE HA . . 5.040 4.873 4.537 5.112 0.072 14 0 "[ . 1 . 2]" 1
206 1 13 ILE HA 1 29 PHE HB3 . . 3.850 3.209 2.433 3.697 . 0 0 "[ . 1 . 2]" 1
207 1 13 ILE HA 1 30 ASP HA . . 5.030 4.313 3.883 4.884 . 0 0 "[ . 1 . 2]" 1
208 1 13 ILE HB 1 13 ILE MD . . 3.380 3.261 3.231 3.287 . 0 0 "[ . 1 . 2]" 1
209 1 13 ILE HB 1 14 GLY H . . 4.850 4.235 3.962 4.499 . 0 0 "[ . 1 . 2]" 1
210 1 13 ILE MD 1 13 ILE MG . . 2.930 2.165 2.103 2.235 . 0 0 "[ . 1 . 2]" 1
211 1 13 ILE MD 1 14 GLY H . . 4.370 3.905 3.679 4.111 . 0 0 "[ . 1 . 2]" 1
212 1 13 ILE MD 1 30 ASP HA . . 4.200 3.491 3.120 4.075 . 0 0 "[ . 1 . 2]" 1
213 1 13 ILE MD 1 30 ASP HB3 . . 5.030 4.806 4.603 5.240 0.210 16 0 "[ . 1 . 2]" 1
214 1 13 ILE MD 1 31 GLU H . . 4.070 3.217 2.758 3.738 . 0 0 "[ . 1 . 2]" 1
215 1 13 ILE MD 1 31 GLU HA . . 3.070 2.026 1.927 2.177 . 0 0 "[ . 1 . 2]" 1
216 1 13 ILE MD 1 32 ASP H . . 5.500 4.595 4.364 4.898 . 0 0 "[ . 1 . 2]" 1
217 1 13 ILE HG13 1 13 ILE MG . . 3.360 2.265 2.197 2.336 . 0 0 "[ . 1 . 2]" 1
218 1 13 ILE HG13 1 14 GLY H . . 5.500 5.547 5.260 5.904 0.404 10 0 "[ . 1 . 2]" 1
219 1 13 ILE HG13 1 31 GLU HA . . 4.520 3.419 2.571 3.760 . 0 0 "[ . 1 . 2]" 1
220 1 13 ILE MG 1 14 GLY H . . 3.410 2.857 2.459 3.421 0.011 10 0 "[ . 1 . 2]" 1
221 1 13 ILE MG 1 14 GLY HA2 . . 4.770 3.413 3.136 3.677 . 0 0 "[ . 1 . 2]" 1
222 1 13 ILE MG 1 14 GLY HA3 . . 5.040 4.045 3.763 4.473 . 0 0 "[ . 1 . 2]" 1
223 1 13 ILE MG 1 30 ASP HA . . 3.580 2.670 2.262 3.166 . 0 0 "[ . 1 . 2]" 1
224 1 13 ILE MG 1 31 GLU H . . 3.760 2.843 2.441 3.405 . 0 0 "[ . 1 . 2]" 1
225 1 14 GLY H 1 16 TRP HD1 . . 5.410 5.007 4.408 5.472 0.062 8 0 "[ . 1 . 2]" 1
226 1 14 GLY H 1 16 TRP HE1 . . 4.760 3.914 3.330 4.819 0.059 9 0 "[ . 1 . 2]" 1
227 1 14 GLY H 1 28 SER HA . . 5.000 4.543 4.329 4.912 . 0 0 "[ . 1 . 2]" 1
228 1 14 GLY H 1 29 PHE H . . 3.710 2.830 2.643 3.002 . 0 0 "[ . 1 . 2]" 1
229 1 14 GLY H 1 29 PHE HB3 . . 4.300 4.025 3.252 4.377 0.077 8 0 "[ . 1 . 2]" 1
230 1 14 GLY H 1 29 PHE QD . . 5.050 4.273 3.745 4.736 . 0 0 "[ . 1 . 2]" 1
231 1 14 GLY H 1 30 ASP HA . . 5.190 4.257 3.805 4.953 . 0 0 "[ . 1 . 2]" 1
232 1 14 GLY HA2 1 15 TYR H . . 3.450 2.622 2.452 3.014 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLY HA2 1 15 TYR QD . . 4.540 3.774 2.583 4.623 0.083 6 0 "[ . 1 . 2]" 1
234 1 14 GLY HA3 1 15 TYR H . . 3.380 2.515 2.262 2.700 . 0 0 "[ . 1 . 2]" 1
235 1 14 GLY HA3 1 15 TYR HA . . 4.810 4.582 4.514 4.649 . 0 0 "[ . 1 . 2]" 1
236 1 15 TYR H 1 15 TYR QD . . 3.670 3.072 2.606 3.732 0.062 6 0 "[ . 1 . 2]" 1
237 1 15 TYR H 1 99 LYS H . . 5.500 4.906 3.440 5.569 0.069 18 0 "[ . 1 . 2]" 1
238 1 15 TYR H 1 99 LYS HB3 . . 5.240 4.614 3.052 6.254 1.014 18 1 "[ . 1 . + 2]" 1
239 1 15 TYR HA 1 15 TYR QD . . 3.620 2.720 2.146 3.101 . 0 0 "[ . 1 . 2]" 1
240 1 15 TYR HA 1 16 TRP H . . 2.930 2.366 2.199 2.509 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR HA 1 16 TRP HD1 . . 3.760 3.427 3.084 3.806 0.046 9 0 "[ . 1 . 2]" 1
242 1 15 TYR HA 1 16 TRP HE1 . . 5.500 5.023 4.642 5.504 0.004 9 0 "[ . 1 . 2]" 1
243 1 15 TYR HA 1 26 LEU MD1 . . 5.430 3.662 3.257 3.938 . 0 0 "[ . 1 . 2]" 1
244 1 15 TYR HA 1 28 SER HA . . 3.450 2.250 2.048 2.600 . 0 0 "[ . 1 . 2]" 1
245 1 15 TYR HA 1 28 SER HB3 . . 4.660 3.549 2.493 4.728 0.068 17 0 "[ . 1 . 2]" 1
246 1 15 TYR HA 1 29 PHE H . . 4.530 3.762 3.435 4.048 . 0 0 "[ . 1 . 2]" 1
247 1 15 TYR HA 1 98 GLN H . . 5.080 4.750 4.519 4.979 . 0 0 "[ . 1 . 2]" 1
248 1 15 TYR QD 1 16 TRP H . . 4.200 3.953 3.186 4.267 0.067 4 0 "[ . 1 . 2]" 1
249 1 15 TYR QD 1 26 LEU MD1 . . 3.290 2.406 2.003 3.306 0.016 7 0 "[ . 1 . 2]" 1
250 1 15 TYR QD 1 26 LEU HG . . 5.140 4.332 3.749 5.221 0.081 7 0 "[ . 1 . 2]" 1
251 1 15 TYR QD 1 28 SER HA . . 4.640 3.611 2.919 4.099 . 0 0 "[ . 1 . 2]" 1
252 1 15 TYR QD 1 28 SER HB3 . . 4.700 3.489 2.368 4.776 0.076 20 0 "[ . 1 . 2]" 1
253 1 15 TYR QD 1 98 GLN HB3 . . 5.180 4.416 3.443 5.271 0.091 8 0 "[ . 1 . 2]" 1
254 1 15 TYR QD 1 99 LYS HB3 . . 5.110 5.736 4.528 6.687 1.577 4 12 "[***+* * *- ****]" 1
255 1 15 TYR QE 1 26 LEU MD2 . . 5.220 4.694 3.471 5.319 0.099 9 0 "[ . 1 . 2]" 1
256 1 15 TYR QE 1 28 SER HB3 . . 5.500 3.413 2.626 4.777 . 0 0 "[ . 1 . 2]" 1
257 1 16 TRP H 1 16 TRP HB3 . . 3.930 3.827 3.687 3.945 0.015 4 0 "[ . 1 . 2]" 1
258 1 16 TRP H 1 16 TRP HD1 . . 3.960 3.351 3.113 3.606 . 0 0 "[ . 1 . 2]" 1
259 1 16 TRP H 1 26 LEU HA . . 5.500 4.511 4.269 4.801 . 0 0 "[ . 1 . 2]" 1
260 1 16 TRP H 1 26 LEU MD1 . . 5.310 2.572 2.462 2.743 . 0 0 "[ . 1 . 2]" 1
261 1 16 TRP H 1 26 LEU HG . . 5.500 5.557 5.453 5.587 0.087 16 0 "[ . 1 . 2]" 1
262 1 16 TRP H 1 28 SER HA . . 3.940 3.645 3.380 3.942 0.002 17 0 "[ . 1 . 2]" 1
263 1 16 TRP HA 1 16 TRP HE3 . . 3.730 3.171 2.706 3.791 0.061 4 0 "[ . 1 . 2]" 1
264 1 16 TRP HA 1 17 SER H . . 2.960 2.345 2.205 2.712 . 0 0 "[ . 1 . 2]" 1
265 1 16 TRP HA 1 26 LEU MD1 . . 4.760 4.576 4.333 4.858 0.098 12 0 "[ . 1 . 2]" 1
266 1 16 TRP HA 1 95 TYR HB3 . . 4.970 3.772 2.812 4.218 . 0 0 "[ . 1 . 2]" 1
267 1 16 TRP HA 1 96 LYS H . . 5.430 4.350 3.652 4.839 . 0 0 "[ . 1 . 2]" 1
268 1 16 TRP HA 1 97 LYS HA . . 3.280 2.645 2.384 2.996 . 0 0 "[ . 1 . 2]" 1
269 1 16 TRP HA 1 98 GLN H . . 4.470 3.164 2.760 3.654 . 0 0 "[ . 1 . 2]" 1
270 1 16 TRP HB3 1 16 TRP HE3 . . 3.270 2.699 2.510 3.009 . 0 0 "[ . 1 . 2]" 1
271 1 16 TRP HB3 1 17 SER H . . 4.720 3.195 2.386 3.787 . 0 0 "[ . 1 . 2]" 1
272 1 16 TRP HB3 1 27 LEU HB3 . . 4.070 4.812 3.833 5.474 1.404 12 13 "[-* ** ** 1*+* * ** *]" 1
273 1 16 TRP HB3 1 84 LEU QD . . 4.670 3.176 2.485 3.817 . 0 0 "[ . 1 . 2]" 1
274 1 16 TRP HD1 1 27 LEU HB3 . . 4.670 3.012 2.120 3.522 . 0 0 "[ . 1 . 2]" 1
275 1 16 TRP HD1 1 27 LEU QD . . 4.770 3.818 3.478 4.133 . 0 0 "[ . 1 . 2]" 1
276 1 16 TRP HD1 1 28 SER H . . 4.800 4.397 4.087 4.598 . 0 0 "[ . 1 . 2]" 1
277 1 16 TRP HD1 1 28 SER HA . . 3.650 3.072 2.622 3.496 . 0 0 "[ . 1 . 2]" 1
278 1 16 TRP HD1 1 29 PHE H . . 4.120 4.048 3.441 4.202 0.082 8 0 "[ . 1 . 2]" 1
279 1 16 TRP HD1 1 29 PHE QD . . 3.020 2.521 2.047 2.876 . 0 0 "[ . 1 . 2]" 1
280 1 16 TRP HD1 1 29 PHE QE . . 3.510 3.326 2.633 3.581 0.071 8 0 "[ . 1 . 2]" 1
281 1 16 TRP HD1 1 84 LEU QD . . 4.140 3.736 3.525 4.042 . 0 0 "[ . 1 . 2]" 1
282 1 16 TRP HE1 1 28 SER HA . . 5.500 4.684 4.129 5.175 . 0 0 "[ . 1 . 2]" 1
283 1 16 TRP HE1 1 29 PHE H . . 5.350 4.376 3.554 4.859 . 0 0 "[ . 1 . 2]" 1
284 1 16 TRP HE1 1 29 PHE QD . . 3.290 2.583 1.992 3.100 . 0 0 "[ . 1 . 2]" 1
285 1 16 TRP HE1 1 29 PHE QE . . 4.270 4.155 3.551 4.355 0.085 7 0 "[ . 1 . 2]" 1
286 1 16 TRP HE1 1 84 LEU QD . . 5.320 3.714 3.268 4.108 . 0 0 "[ . 1 . 2]" 1
287 1 16 TRP HE3 1 17 SER H . . 4.560 4.080 3.412 4.607 0.047 4 0 "[ . 1 . 2]" 1
288 1 16 TRP HE3 1 83 THR HA . . 4.730 4.449 4.080 4.789 0.059 20 0 "[ . 1 . 2]" 1
289 1 16 TRP HE3 1 84 LEU H . . 4.180 3.300 2.837 3.861 . 0 0 "[ . 1 . 2]" 1
290 1 16 TRP HE3 1 84 LEU HB3 . . 3.650 3.350 2.633 4.394 0.744 9 2 "[ . -+1 . 2]" 1
291 1 16 TRP HE3 1 84 LEU QD . . 4.200 3.622 3.274 4.163 . 0 0 "[ . 1 . 2]" 1
292 1 16 TRP HE3 1 95 TYR HB3 . . 3.630 3.112 2.188 3.354 . 0 0 "[ . 1 . 2]" 1
293 1 16 TRP HE3 1 97 LYS H . . 3.980 3.098 1.884 3.775 . 0 0 "[ . 1 . 2]" 1
294 1 16 TRP HE3 1 97 LYS HA . . 3.680 2.956 2.621 3.174 . 0 0 "[ . 1 . 2]" 1
295 1 16 TRP HH2 1 79 ILE MD . . 3.300 2.223 2.014 2.534 . 0 0 "[ . 1 . 2]" 1
296 1 16 TRP HH2 1 79 ILE HG13 . . 5.070 2.924 2.337 3.428 . 0 0 "[ . 1 . 2]" 1
297 1 16 TRP HH2 1 82 THR HA . . 4.190 3.598 3.199 4.067 . 0 0 "[ . 1 . 2]" 1
298 1 16 TRP HH2 1 84 LEU H . . 4.720 4.677 4.238 4.804 0.084 15 0 "[ . 1 . 2]" 1
299 1 16 TRP HH2 1 84 LEU HB3 . . 4.350 5.285 4.297 5.963 1.613 12 17 "[*-*** *****+ ******2]" 1
300 1 16 TRP HH2 1 97 LYS HB3 . . 5.440 5.106 4.674 5.497 0.057 9 0 "[ . 1 . 2]" 1
301 1 16 TRP HZ2 1 79 ILE MD . . 3.170 2.317 2.064 2.630 . 0 0 "[ . 1 . 2]" 1
302 1 16 TRP HZ2 1 84 LEU QD . . 4.380 3.974 3.570 4.210 . 0 0 "[ . 1 . 2]" 1
303 1 16 TRP HZ3 1 82 THR HA . . 4.080 3.240 2.803 3.675 . 0 0 "[ . 1 . 2]" 1
304 1 16 TRP HZ3 1 83 THR H . . 5.500 3.762 3.157 4.125 . 0 0 "[ . 1 . 2]" 1
305 1 16 TRP HZ3 1 83 THR HA . . 3.650 3.229 2.651 3.711 0.061 4 0 "[ . 1 . 2]" 1
306 1 16 TRP HZ3 1 84 LEU H . . 3.840 2.776 2.515 2.955 . 0 0 "[ . 1 . 2]" 1
307 1 16 TRP HZ3 1 84 LEU HB3 . . 3.950 4.030 2.975 4.735 0.785 12 7 "[ * ***- + .* 2]" 1
308 1 16 TRP HZ3 1 96 LYS HA . . 4.870 3.655 3.110 4.267 . 0 0 "[ . 1 . 2]" 1
309 1 16 TRP HZ3 1 97 LYS H . . 4.080 3.011 2.679 3.771 . 0 0 "[ . 1 . 2]" 1
310 1 16 TRP HZ3 1 97 LYS HA . . 5.010 3.879 3.569 4.140 . 0 0 "[ . 1 . 2]" 1
311 1 16 TRP HZ3 1 97 LYS HB3 . . 5.250 4.362 4.034 4.726 . 0 0 "[ . 1 . 2]" 1
312 1 17 SER H 1 26 LEU MD1 . . 5.500 4.782 4.169 5.155 . 0 0 "[ . 1 . 2]" 1
313 1 17 SER H 1 95 TYR HA . . 4.910 4.257 3.832 4.646 . 0 0 "[ . 1 . 2]" 1
314 1 17 SER H 1 95 TYR HB3 . . 5.500 3.084 2.463 3.496 . 0 0 "[ . 1 . 2]" 1
315 1 17 SER H 1 96 LYS H . . 3.710 2.882 2.311 3.585 . 0 0 "[ . 1 . 2]" 1
316 1 17 SER H 1 98 GLN HE21 . . 5.140 4.188 2.890 5.188 0.048 12 0 "[ . 1 . 2]" 1
317 1 17 SER HA 1 18 THR H . . 3.080 2.418 2.289 2.647 . 0 0 "[ . 1 . 2]" 1
318 1 17 SER HA 1 18 THR MG . . 4.690 3.753 3.455 3.954 . 0 0 "[ . 1 . 2]" 1
319 1 17 SER HA 1 19 GLY H . . 4.660 4.191 3.929 4.716 0.056 11 0 "[ . 1 . 2]" 1
320 1 17 SER HA 1 25 LYS H . . 5.500 4.730 4.318 5.228 . 0 0 "[ . 1 . 2]" 1
321 1 17 SER HA 1 26 LEU HA . . 3.320 2.929 2.565 3.369 0.049 12 0 "[ . 1 . 2]" 1
322 1 17 SER HA 1 26 LEU MD1 . . 3.990 3.808 3.210 4.075 0.085 10 0 "[ . 1 . 2]" 1
323 1 17 SER HA 1 26 LEU MD2 . . 4.410 2.589 2.166 3.449 . 0 0 "[ . 1 . 2]" 1
324 1 17 SER HA 1 27 LEU H . . 4.320 4.009 3.570 4.389 0.069 12 0 "[ . 1 . 2]" 1
325 1 17 SER HA 1 95 TYR QR . . 3.810 2.903 2.241 3.509 . 0 0 "[ . 1 . 2]" 1
326 1 18 THR H 1 18 THR HB . . 4.110 3.100 2.819 3.773 . 0 0 "[ . 1 . 2]" 1
327 1 18 THR H 1 18 THR MG . . 3.480 2.277 1.977 2.601 . 0 0 "[ . 1 . 2]" 1
328 1 18 THR H 1 25 LYS H . . 4.130 3.672 3.232 4.200 0.070 2 0 "[ . 1 . 2]" 1
329 1 18 THR H 1 26 LEU HA . . 4.930 4.634 4.124 5.004 0.074 15 0 "[ . 1 . 2]" 1
330 1 18 THR HB 1 95 TYR QR . . 5.000 2.507 2.013 4.587 . 0 0 "[ . 1 . 2]" 1
331 1 18 THR HB 1 96 LYS H . . 5.500 4.929 3.946 5.575 0.075 11 0 "[ . 1 . 2]" 1
332 1 18 THR MG 1 19 GLY H . . 5.480 2.979 1.892 3.535 . 0 0 "[ . 1 . 2]" 1
333 1 18 THR MG 1 19 GLY HA2 . . 5.500 4.629 4.351 5.605 0.105 11 0 "[ . 1 . 2]" 1
334 1 18 THR MG 1 25 LYS H . . 4.100 2.066 1.721 2.946 . 0 0 "[ . 1 . 2]" 1
335 1 18 THR MG 1 25 LYS HA . . 5.200 4.366 4.052 5.091 . 0 0 "[ . 1 . 2]" 1
336 1 18 THR MG 1 25 LYS HB3 . . 3.360 4.156 3.477 4.294 0.934 11 18 "[** ***-**+*********]" 1
337 1 18 THR MG 1 25 LYS HD3 . . 5.260 4.580 3.132 5.342 0.082 1 0 "[ . 1 . 2]" 1
338 1 18 THR MG 1 95 TYR QR . . 4.500 2.603 2.064 3.243 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLY H 1 20 ILE H . . 4.830 4.272 4.180 4.351 . 0 0 "[ . 1 . 2]" 1
340 1 19 GLY H 1 20 ILE MG . . 4.640 3.884 3.444 4.710 0.070 11 0 "[ . 1 . 2]" 1
341 1 19 GLY H 1 24 HIS HB3 . . 4.280 4.209 3.289 4.888 0.608 2 2 "[ + -. 1 . 2]" 1
342 1 19 GLY H 1 25 LYS H . . 5.190 4.453 3.860 5.151 . 0 0 "[ . 1 . 2]" 1
343 1 19 GLY HA2 1 20 ILE H . . 3.260 2.581 2.488 2.751 . 0 0 "[ . 1 . 2]" 1
344 1 19 GLY HA2 1 20 ILE MD . . 5.240 4.977 4.561 5.305 0.065 14 0 "[ . 1 . 2]" 1
345 1 19 GLY HA2 1 20 ILE HG13 . . 4.890 5.004 4.673 5.498 0.608 11 1 "[ . 1+ . 2]" 1
346 1 19 GLY HA2 1 20 ILE MG . . 3.960 3.242 2.844 3.687 . 0 0 "[ . 1 . 2]" 1
347 1 19 GLY HA2 1 21 GLU H . . 5.050 4.459 4.240 4.737 . 0 0 "[ . 1 . 2]" 1
348 1 19 GLY HA3 1 20 ILE H . . 3.330 2.600 2.410 2.696 . 0 0 "[ . 1 . 2]" 1
349 1 19 GLY HA3 1 20 ILE MG . . 4.440 4.242 4.012 4.466 0.026 10 0 "[ . 1 . 2]" 1
350 1 19 GLY HA3 1 21 GLU H . . 4.210 3.556 3.203 3.925 . 0 0 "[ . 1 . 2]" 1
351 1 19 GLY HA3 1 24 HIS HB3 . . 5.200 3.746 2.867 4.797 . 0 0 "[ . 1 . 2]" 1
352 1 20 ILE H 1 20 ILE HB . . 4.080 3.776 3.601 3.874 . 0 0 "[ . 1 . 2]" 1
353 1 20 ILE H 1 20 ILE MD . . 4.180 3.901 3.676 4.111 . 0 0 "[ . 1 . 2]" 1
354 1 20 ILE H 1 20 ILE HG13 . . 3.720 2.821 2.488 3.154 . 0 0 "[ . 1 . 2]" 1
355 1 20 ILE H 1 20 ILE MG . . 3.940 2.979 2.684 3.304 . 0 0 "[ . 1 . 2]" 1
356 1 20 ILE H 1 21 GLU H . . 3.180 2.388 1.839 3.049 . 0 0 "[ . 1 . 2]" 1
357 1 20 ILE HA 1 20 ILE MD . . 4.530 4.204 4.112 4.237 . 0 0 "[ . 1 . 2]" 1
358 1 20 ILE HA 1 20 ILE MG . . 3.670 2.277 2.235 2.331 . 0 0 "[ . 1 . 2]" 1
359 1 20 ILE HB 1 20 ILE MD . . 3.630 2.376 2.249 2.468 . 0 0 "[ . 1 . 2]" 1
360 1 20 ILE HB 1 21 GLU H . . 4.740 4.472 4.267 4.561 . 0 0 "[ . 1 . 2]" 1
361 1 20 ILE HG13 1 21 GLU H . . 4.680 3.839 3.072 4.253 . 0 0 "[ . 1 . 2]" 1
362 1 20 ILE MG 1 21 GLU H . . 4.930 4.378 4.241 4.440 . 0 0 "[ . 1 . 2]" 1
363 1 21 GLU H 1 22 GLY H . . 4.860 4.424 4.294 4.702 . 0 0 "[ . 1 . 2]" 1
364 1 21 GLU HA 1 22 GLY H . . 2.800 2.477 2.271 2.678 . 0 0 "[ . 1 . 2]" 1
365 1 21 GLU HA 1 22 GLY HA2 . . 4.670 4.569 4.077 4.710 0.040 13 0 "[ . 1 . 2]" 1
366 1 21 GLU HA 1 42 ASN HB3 . . 5.290 5.202 3.856 6.271 0.981 6 3 "[ .+ 1 . - *]" 1
367 1 21 GLU HA 1 42 ASN HD22 . . 4.590 4.000 3.039 4.667 0.077 8 0 "[ . 1 . 2]" 1
368 1 22 GLY H 1 23 THR H . . 4.760 4.282 3.081 4.691 . 0 0 "[ . 1 . 2]" 1
369 1 22 GLY H 1 42 ASN H . . 4.450 4.145 3.511 4.520 0.070 6 0 "[ . 1 . 2]" 1
370 1 22 GLY H 1 42 ASN HA . . 4.150 3.019 2.476 4.123 . 0 0 "[ . 1 . 2]" 1
371 1 22 GLY H 1 42 ASN HD21 . . 4.480 3.011 2.512 3.628 . 0 0 "[ . 1 . 2]" 1
372 1 22 GLY H 1 42 ASN HD22 . . 4.520 2.833 2.252 4.488 . 0 0 "[ . 1 . 2]" 1
373 1 22 GLY HA2 1 23 THR H . . 3.520 3.414 2.731 3.572 0.052 20 0 "[ . 1 . 2]" 1
374 1 22 GLY HA2 1 23 THR HA . . 4.910 4.657 4.406 4.753 . 0 0 "[ . 1 . 2]" 1
375 1 22 GLY HA2 1 42 ASN H . . 5.500 3.817 2.813 4.587 . 0 0 "[ . 1 . 2]" 1
376 1 22 GLY HA2 1 42 ASN HD22 . . 4.950 3.615 2.505 4.112 . 0 0 "[ . 1 . 2]" 1
377 1 22 GLY HA3 1 23 THR H . . 3.020 2.345 2.193 3.071 0.051 6 0 "[ . 1 . 2]" 1
378 1 22 GLY HA3 1 42 ASN HD22 . . 5.080 4.852 4.184 5.164 0.084 20 0 "[ . 1 . 2]" 1
379 1 23 THR H 1 23 THR HB . . 3.530 2.927 2.425 3.178 . 0 0 "[ . 1 . 2]" 1
380 1 23 THR HA 1 23 THR MG . . 3.210 2.350 2.238 2.574 . 0 0 "[ . 1 . 2]" 1
381 1 23 THR HA 1 24 HIS H . . 2.880 2.268 2.198 2.397 . 0 0 "[ . 1 . 2]" 1
382 1 23 THR HA 1 39 ILE MG . . 4.990 4.514 3.653 4.864 . 0 0 "[ . 1 . 2]" 1
383 1 23 THR HA 1 40 TYR H . . 4.950 4.619 4.375 4.892 . 0 0 "[ . 1 . 2]" 1
384 1 23 THR HA 1 41 SER H . . 5.500 4.783 4.488 5.096 . 0 0 "[ . 1 . 2]" 1
385 1 23 THR HA 1 41 SER HA . . 3.170 2.323 1.979 2.589 . 0 0 "[ . 1 . 2]" 1
386 1 23 THR HA 1 41 SER HB3 . . 5.440 4.890 4.189 5.551 0.111 10 0 "[ . 1 . 2]" 1
387 1 23 THR HA 1 42 ASN H . . 4.910 3.022 2.262 4.523 . 0 0 "[ . 1 . 2]" 1
388 1 23 THR HB 1 24 HIS H . . 4.890 4.378 3.901 4.584 . 0 0 "[ . 1 . 2]" 1
389 1 23 THR MG 1 24 HIS H . . 3.490 3.156 2.544 3.573 0.083 11 0 "[ . 1 . 2]" 1
390 1 23 THR MG 1 24 HIS HA . . 4.080 4.053 3.603 4.185 0.105 18 0 "[ . 1 . 2]" 1
391 1 23 THR MG 1 39 ILE MG . . 3.320 2.638 1.911 3.260 . 0 0 "[ . 1 . 2]" 1
392 1 23 THR MG 1 41 SER HA . . 3.250 3.057 2.467 3.343 0.093 2 0 "[ . 1 . 2]" 1
393 1 23 THR MG 1 41 SER HB3 . . 4.720 4.786 4.171 5.283 0.563 12 2 "[ . - + . 2]" 1
394 1 24 HIS H 1 24 HIS HD2 . . 4.280 4.322 3.987 4.370 0.090 2 0 "[ . 1 . 2]" 1
395 1 24 HIS H 1 25 LYS HA . . 5.130 4.914 4.632 5.189 0.059 1 0 "[ . 1 . 2]" 1
396 1 24 HIS H 1 39 ILE MG . . 4.590 4.147 3.555 4.652 0.062 7 0 "[ . 1 . 2]" 1
397 1 24 HIS H 1 40 TYR H . . 3.880 3.299 2.985 3.572 . 0 0 "[ . 1 . 2]" 1
398 1 24 HIS H 1 40 TYR HB3 . . 4.670 4.175 3.762 4.900 0.230 8 0 "[ . 1 . 2]" 1
399 1 24 HIS HA 1 25 LYS H . . 3.290 2.621 2.454 2.840 . 0 0 "[ . 1 . 2]" 1
400 1 24 HIS HB3 1 25 LYS H . . 3.640 3.647 3.533 3.784 0.144 13 0 "[ . 1 . 2]" 1
401 1 24 HIS HB3 1 25 LYS HA . . 5.250 5.888 5.797 5.969 0.719 13 20 [**-*********+*******] 1
402 1 24 HIS HD2 1 26 LEU H . . 4.880 4.856 4.309 4.960 0.080 8 0 "[ . 1 . 2]" 1
403 1 24 HIS HD2 1 26 LEU MD2 . . 4.200 3.357 2.440 4.269 0.069 16 0 "[ . 1 . 2]" 1
404 1 24 HIS HD2 1 40 TYR HB3 . . 5.290 4.509 4.034 5.068 . 0 0 "[ . 1 . 2]" 1
405 1 25 LYS H 1 25 LYS HB3 . . 3.970 3.723 3.239 3.896 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS H 1 26 LEU H . . 4.790 4.304 4.186 4.410 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS HA 1 25 LYS HD3 . . 5.350 4.495 3.202 4.887 . 0 0 "[ . 1 . 2]" 1
408 1 25 LYS HA 1 26 LEU H . . 2.970 2.262 2.149 2.554 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS HA 1 37 PHE QE . . 4.500 4.289 3.587 4.604 0.104 17 0 "[ . 1 . 2]" 1
410 1 25 LYS HA 1 39 ILE H . . 5.500 4.798 4.488 5.120 . 0 0 "[ . 1 . 2]" 1
411 1 25 LYS HA 1 39 ILE HA . . 3.430 2.290 2.017 2.598 . 0 0 "[ . 1 . 2]" 1
412 1 25 LYS HA 1 39 ILE MD . . 5.400 5.232 4.524 5.497 0.097 14 0 "[ . 1 . 2]" 1
413 1 25 LYS HA 1 39 ILE MG . . 4.720 3.679 3.219 4.168 . 0 0 "[ . 1 . 2]" 1
414 1 25 LYS HA 1 40 TYR H . . 4.260 3.203 2.737 3.535 . 0 0 "[ . 1 . 2]" 1
415 1 25 LYS HA 1 40 TYR QD . . 3.900 3.109 2.320 3.954 0.054 8 0 "[ . 1 . 2]" 1
416 1 25 LYS HB3 1 25 LYS HG3 . . 2.860 2.932 2.463 3.057 0.197 1 0 "[ . 1 . 2]" 1
417 1 25 LYS HB3 1 26 LEU H . . 5.090 3.060 2.354 4.065 . 0 0 "[ . 1 . 2]" 1
418 1 25 LYS HB3 1 37 PHE QE . . 4.220 2.454 2.090 4.140 . 0 0 "[ . 1 . 2]" 1
419 1 25 LYS HD3 1 37 PHE QE . . 3.630 3.115 2.214 4.843 1.213 13 1 "[ . 1 + . 2]" 1
420 1 25 LYS HD3 1 39 ILE MD . . 4.910 4.484 3.152 4.989 0.079 5 0 "[ . 1 . 2]" 1
421 1 25 LYS HE3 1 25 LYS HG3 . . 4.210 2.706 2.128 3.768 . 0 0 "[ . 1 . 2]" 1
422 1 25 LYS HE3 1 39 ILE MD . . 4.140 3.743 2.248 4.739 0.599 6 2 "[ .+ 1 . -]" 1
423 1 25 LYS HE3 1 39 ILE MG . . 4.550 3.058 2.010 3.999 . 0 0 "[ . 1 . 2]" 1
424 1 25 LYS HG3 1 39 ILE HA . . 4.920 3.591 2.153 5.015 0.095 17 0 "[ . 1 . 2]" 1
425 1 26 LEU H 1 26 LEU HB3 . . 3.570 2.951 2.752 3.118 . 0 0 "[ . 1 . 2]" 1
426 1 26 LEU H 1 26 LEU MD2 . . 5.310 4.071 3.848 4.247 . 0 0 "[ . 1 . 2]" 1
427 1 26 LEU H 1 37 PHE QD . . 4.850 3.923 3.418 4.575 . 0 0 "[ . 1 . 2]" 1
428 1 26 LEU H 1 38 GLY H . . 3.810 2.942 2.676 3.317 . 0 0 "[ . 1 . 2]" 1
429 1 26 LEU H 1 38 GLY HA3 . . 5.320 4.062 3.857 4.354 . 0 0 "[ . 1 . 2]" 1
430 1 26 LEU H 1 39 ILE HA . . 4.650 3.554 3.034 3.911 . 0 0 "[ . 1 . 2]" 1
431 1 26 LEU H 1 40 TYR QD . . 4.090 3.486 2.914 3.870 . 0 0 "[ . 1 . 2]" 1
432 1 26 LEU H 1 40 TYR QE . . 4.080 3.801 3.190 4.170 0.090 20 0 "[ . 1 . 2]" 1
433 1 26 LEU HA 1 26 LEU MD1 . . 3.370 2.458 2.247 2.663 . 0 0 "[ . 1 . 2]" 1
434 1 26 LEU HA 1 26 LEU MD2 . . 3.830 2.149 2.054 2.235 . 0 0 "[ . 1 . 2]" 1
435 1 26 LEU HA 1 26 LEU HG . . 3.910 3.717 3.663 3.777 . 0 0 "[ . 1 . 2]" 1
436 1 26 LEU HA 1 27 LEU H . . 2.800 2.284 2.153 2.400 . 0 0 "[ . 1 . 2]" 1
437 1 26 LEU HA 1 27 LEU HB3 . . 4.720 5.703 5.299 5.905 1.185 11 20 [********-*+*********] 1
438 1 26 LEU HB3 1 26 LEU MD1 . . 3.570 2.489 2.409 2.570 . 0 0 "[ . 1 . 2]" 1
439 1 26 LEU HB3 1 27 LEU H . . 4.500 3.809 3.412 4.342 . 0 0 "[ . 1 . 2]" 1
440 1 26 LEU HB3 1 27 LEU HA . . 5.120 4.401 3.844 4.957 . 0 0 "[ . 1 . 2]" 1
441 1 26 LEU HB3 1 38 GLY H . . 4.510 3.271 2.878 3.482 . 0 0 "[ . 1 . 2]" 1
442 1 26 LEU HB3 1 40 TYR QE . . 3.850 2.721 2.235 3.645 . 0 0 "[ . 1 . 2]" 1
443 1 26 LEU MD1 1 27 LEU H . . 3.540 2.103 1.772 3.057 . 0 0 "[ . 1 . 2]" 1
444 1 26 LEU MD1 1 38 GLY H . . 4.640 4.650 4.184 4.741 0.101 1 0 "[ . 1 . 2]" 1
445 1 26 LEU MD1 1 98 GLN HB3 . . 5.500 5.159 4.517 5.602 0.102 6 0 "[ . 1 . 2]" 1
446 1 26 LEU MD2 1 27 LEU H . . 4.160 3.509 3.143 3.833 . 0 0 "[ . 1 . 2]" 1
447 1 26 LEU MD2 1 40 TYR QE . . 4.310 3.914 3.362 4.395 0.085 20 0 "[ . 1 . 2]" 1
448 1 26 LEU HG 1 40 TYR QE . . 4.430 3.485 2.714 4.346 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU H 1 27 LEU HB3 . . 3.780 3.623 3.204 3.854 0.074 7 0 "[ . 1 . 2]" 1
450 1 27 LEU H 1 27 LEU QD . . 5.140 3.705 3.179 4.047 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU H 1 27 LEU HG . . 4.540 3.700 2.801 4.577 0.037 9 0 "[ . 1 . 2]" 1
452 1 27 LEU H 1 28 SER H . . 4.770 4.415 4.158 4.627 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU HA 1 27 LEU QD . . 3.220 2.285 2.009 3.009 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU HA 1 27 LEU HG . . 4.090 2.757 2.275 3.155 . 0 0 "[ . 1 . 2]" 1
455 1 27 LEU HA 1 28 SER H . . 2.910 2.348 2.225 2.434 . 0 0 "[ . 1 . 2]" 1
456 1 27 LEU HA 1 36 SER H . . 4.570 4.298 4.054 4.514 . 0 0 "[ . 1 . 2]" 1
457 1 27 LEU HA 1 37 PHE HA . . 3.420 2.540 2.295 3.022 . 0 0 "[ . 1 . 2]" 1
458 1 27 LEU HA 1 37 PHE QD . . 4.020 3.534 2.814 4.114 0.094 17 0 "[ . 1 . 2]" 1
459 1 27 LEU HA 1 38 GLY H . . 4.360 3.749 3.414 4.141 . 0 0 "[ . 1 . 2]" 1
460 1 27 LEU HB3 1 28 SER H . . 4.710 2.789 2.184 3.576 . 0 0 "[ . 1 . 2]" 1
461 1 27 LEU HB3 1 29 PHE QD . . 5.410 3.484 3.080 3.893 . 0 0 "[ . 1 . 2]" 1
462 1 27 LEU HB3 1 29 PHE QE . . 4.120 2.353 2.094 2.746 . 0 0 "[ . 1 . 2]" 1
463 1 27 LEU HB3 1 84 LEU QD . . 5.130 4.086 3.604 4.784 . 0 0 "[ . 1 . 2]" 1
464 1 27 LEU QD 1 28 SER H . . 3.870 2.999 2.368 3.583 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU QD 1 29 PHE QE . . 3.320 2.074 1.940 2.227 . 0 0 "[ . 1 . 2]" 1
466 1 27 LEU QD 1 29 PHE HZ . . 3.880 2.334 1.973 2.990 . 0 0 "[ . 1 . 2]" 1
467 1 27 LEU QD 1 36 SER H . . 5.500 3.758 3.381 4.635 . 0 0 "[ . 1 . 2]" 1
468 1 27 LEU QD 1 37 PHE HA . . 3.660 2.455 2.047 3.103 . 0 0 "[ . 1 . 2]" 1
469 1 27 LEU QD 1 37 PHE HB3 . . 4.040 3.677 3.435 4.060 0.020 9 0 "[ . 1 . 2]" 1
470 1 27 LEU QD 1 37 PHE QD . . 3.230 2.447 1.764 2.892 . 0 0 "[ . 1 . 2]" 1
471 1 27 LEU QD 1 38 GLY H . . 5.420 4.057 3.514 4.414 . 0 0 "[ . 1 . 2]" 1
472 1 27 LEU QD 1 84 LEU QD . . 3.720 2.446 2.103 3.231 . 0 0 "[ . 1 . 2]" 1
473 1 27 LEU QD 1 86 VAL MG1 . . 5.500 4.114 3.648 4.488 . 0 0 "[ . 1 . 2]" 1
474 1 27 LEU QD 1 86 VAL MG2 . . 3.760 3.010 2.524 3.520 . 0 0 "[ . 1 . 2]" 1
475 1 27 LEU QD 1 91 GLU HA . . 4.890 3.962 3.440 4.299 . 0 0 "[ . 1 . 2]" 1
476 1 27 LEU QD 1 91 GLU HB3 . . 4.550 2.283 2.016 3.138 . 0 0 "[ . 1 . 2]" 1
477 1 27 LEU QD 1 91 GLU HG3 . . 4.490 2.799 1.873 3.402 . 0 0 "[ . 1 . 2]" 1
478 1 27 LEU HG 1 29 PHE QE . . 4.360 4.299 2.219 4.466 0.106 3 0 "[ . 1 . 2]" 1
479 1 27 LEU HG 1 37 PHE HA . . 5.140 3.628 2.176 4.081 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU HG 1 37 PHE QD . . 3.500 2.661 2.109 3.632 0.132 9 0 "[ . 1 . 2]" 1
481 1 28 SER H 1 29 PHE H . . 5.500 4.239 3.660 4.353 . 0 0 "[ . 1 . 2]" 1
482 1 28 SER H 1 29 PHE HA . . 5.500 4.747 4.490 4.922 . 0 0 "[ . 1 . 2]" 1
483 1 28 SER H 1 29 PHE QD . . 4.290 4.098 3.402 4.375 0.085 3 0 "[ . 1 . 2]" 1
484 1 28 SER H 1 29 PHE QE . . 4.860 4.060 3.242 4.366 . 0 0 "[ . 1 . 2]" 1
485 1 28 SER H 1 35 GLY HA3 . . 4.980 4.598 4.258 5.016 0.036 12 0 "[ . 1 . 2]" 1
486 1 28 SER H 1 36 SER H . . 3.200 2.514 2.240 2.676 . 0 0 "[ . 1 . 2]" 1
487 1 28 SER H 1 37 PHE HA . . 4.440 4.106 3.889 4.491 0.051 17 0 "[ . 1 . 2]" 1
488 1 28 SER HA 1 29 PHE H . . 2.840 2.284 2.158 2.395 . 0 0 "[ . 1 . 2]" 1
489 1 28 SER HA 1 29 PHE QD . . 4.390 3.497 2.849 3.950 . 0 0 "[ . 1 . 2]" 1
490 1 28 SER HB3 1 29 PHE H . . 4.250 3.786 2.919 4.312 0.062 15 0 "[ . 1 . 2]" 1
491 1 28 SER HB3 1 36 SER H . . 5.060 4.287 2.925 5.141 0.081 2 0 "[ . 1 . 2]" 1
492 1 29 PHE H 1 29 PHE QD . . 3.760 3.209 2.318 3.585 . 0 0 "[ . 1 . 2]" 1
493 1 29 PHE H 1 29 PHE QE . . 5.500 5.148 4.502 5.357 . 0 0 "[ . 1 . 2]" 1
494 1 29 PHE H 1 30 ASP H . . 4.960 4.192 4.000 4.562 . 0 0 "[ . 1 . 2]" 1
495 1 29 PHE HA 1 29 PHE QD . . 3.600 2.843 2.513 3.236 . 0 0 "[ . 1 . 2]" 1
496 1 29 PHE HA 1 30 ASP H . . 2.880 2.234 2.149 2.298 . 0 0 "[ . 1 . 2]" 1
497 1 29 PHE HA 1 35 GLY HA2 . . 3.050 2.353 1.996 3.103 0.053 4 0 "[ . 1 . 2]" 1
498 1 29 PHE HA 1 35 GLY HA3 . . 3.800 2.934 2.383 3.427 . 0 0 "[ . 1 . 2]" 1
499 1 29 PHE HB3 1 30 ASP H . . 4.530 3.449 3.073 3.804 . 0 0 "[ . 1 . 2]" 1
500 1 29 PHE QD 1 30 ASP H . . 5.140 4.275 3.869 4.894 . 0 0 "[ . 1 . 2]" 1
501 1 29 PHE QD 1 84 LEU QD . . 4.940 4.079 3.523 4.585 . 0 0 "[ . 1 . 2]" 1
502 1 29 PHE QE 1 35 GLY HA3 . . 5.350 3.609 2.884 4.744 . 0 0 "[ . 1 . 2]" 1
503 1 29 PHE QE 1 36 SER H . . 4.420 4.504 4.385 4.535 0.115 20 0 "[ . 1 . 2]" 1
504 1 29 PHE QE 1 60 ILE MD . . 3.400 3.173 2.204 3.522 0.122 14 0 "[ . 1 . 2]" 1
505 1 29 PHE QE 1 84 LEU QD . . 3.660 3.177 2.352 3.713 0.053 20 0 "[ . 1 . 2]" 1
506 1 30 ASP H 1 30 ASP HB3 . . 3.150 3.472 3.163 3.510 0.360 7 0 "[ . 1 . 2]" 1
507 1 30 ASP H 1 31 GLU H . . 4.670 4.503 4.412 4.620 . 0 0 "[ . 1 . 2]" 1
508 1 30 ASP H 1 32 ASP H . . 5.290 5.256 4.664 5.367 0.077 2 0 "[ . 1 . 2]" 1
509 1 30 ASP H 1 33 GLY H . . 5.130 4.442 4.219 4.734 . 0 0 "[ . 1 . 2]" 1
510 1 30 ASP H 1 34 THR H . . 4.630 3.835 3.407 4.310 . 0 0 "[ . 1 . 2]" 1
511 1 30 ASP H 1 35 GLY H . . 5.500 4.756 4.413 5.078 . 0 0 "[ . 1 . 2]" 1
512 1 30 ASP H 1 35 GLY HA2 . . 4.320 3.243 3.001 3.654 . 0 0 "[ . 1 . 2]" 1
513 1 30 ASP H 1 35 GLY HA3 . . 4.540 4.257 3.657 4.622 0.082 13 0 "[ . 1 . 2]" 1
514 1 30 ASP H 1 36 SER H . . 5.500 5.475 5.212 5.586 0.086 4 0 "[ . 1 . 2]" 1
515 1 30 ASP HA 1 31 GLU H . . 2.740 2.348 2.177 2.493 . 0 0 "[ . 1 . 2]" 1
516 1 30 ASP HA 1 31 GLU HA . . 4.400 4.342 4.231 4.470 0.070 2 0 "[ . 1 . 2]" 1
517 1 30 ASP HA 1 32 ASP H . . 4.600 4.161 3.960 4.387 . 0 0 "[ . 1 . 2]" 1
518 1 30 ASP HB3 1 31 GLU H . . 3.960 2.692 2.293 3.608 . 0 0 "[ . 1 . 2]" 1
519 1 30 ASP HB3 1 32 ASP H . . 3.870 2.619 2.244 3.940 0.070 15 0 "[ . 1 . 2]" 1
520 1 30 ASP HB3 1 34 THR H . . 3.940 3.828 3.599 4.031 0.091 15 0 "[ . 1 . 2]" 1
521 1 31 GLU H 1 31 GLU HG3 . . 5.300 3.825 2.443 4.475 . 0 0 "[ . 1 . 2]" 1
522 1 31 GLU H 1 32 ASP H . . 3.390 2.432 2.255 2.580 . 0 0 "[ . 1 . 2]" 1
523 1 31 GLU H 1 33 GLY H . . 5.020 3.882 3.604 4.155 . 0 0 "[ . 1 . 2]" 1
524 1 31 GLU HA 1 33 GLY H . . 4.290 4.354 4.298 4.377 0.087 17 0 "[ . 1 . 2]" 1
525 1 32 ASP H 1 32 ASP HB3 . . 3.730 2.992 2.766 3.307 . 0 0 "[ . 1 . 2]" 1
526 1 32 ASP H 1 33 GLY H . . 3.400 2.178 1.902 2.405 . 0 0 "[ . 1 . 2]" 1
527 1 32 ASP H 1 33 GLY HA2 . . 5.380 4.700 4.542 5.017 . 0 0 "[ . 1 . 2]" 1
528 1 32 ASP H 1 33 GLY HA3 . . 4.990 4.116 3.880 4.534 . 0 0 "[ . 1 . 2]" 1
529 1 32 ASP HA 1 32 ASP HB3 . . 2.840 2.910 2.410 2.985 0.145 12 0 "[ . 1 . 2]" 1
530 1 33 GLY H 1 34 THR HA . . 5.500 4.723 4.400 5.052 . 0 0 "[ . 1 . 2]" 1
531 1 33 GLY H 1 34 THR MG . . 5.300 5.028 4.866 5.217 . 0 0 "[ . 1 . 2]" 1
532 1 33 GLY HA2 1 34 THR HA . . 5.240 4.701 4.576 4.793 . 0 0 "[ . 1 . 2]" 1
533 1 33 GLY HA2 1 34 THR MG . . 4.440 3.506 3.181 3.700 . 0 0 "[ . 1 . 2]" 1
534 1 34 THR H 1 34 THR MG . . 3.450 3.195 2.871 3.437 . 0 0 "[ . 1 . 2]" 1
535 1 34 THR H 1 52 ASP HA . . 5.420 5.443 5.116 5.501 0.081 2 0 "[ . 1 . 2]" 1
536 1 34 THR HA 1 34 THR HB . . 3.010 2.535 2.449 2.639 . 0 0 "[ . 1 . 2]" 1
537 1 34 THR HA 1 34 THR MG . . 3.170 2.324 2.232 2.408 . 0 0 "[ . 1 . 2]" 1
538 1 34 THR HA 1 35 GLY H . . 3.040 2.668 2.245 2.896 . 0 0 "[ . 1 . 2]" 1
539 1 34 THR HA 1 52 ASP HA . . 3.100 2.640 2.304 2.864 . 0 0 "[ . 1 . 2]" 1
540 1 34 THR HA 1 52 ASP HB3 . . 4.850 5.040 4.671 5.498 0.648 12 1 "[ . 1 + . 2]" 1
541 1 34 THR HA 1 53 TYR H . . 4.010 3.942 3.507 4.086 0.076 16 0 "[ . 1 . 2]" 1
542 1 34 THR HB 1 35 GLY H . . 3.180 2.255 1.977 3.144 . 0 0 "[ . 1 . 2]" 1
543 1 34 THR HB 1 52 ASP HA . . 4.470 3.073 2.603 3.846 . 0 0 "[ . 1 . 2]" 1
544 1 34 THR MG 1 35 GLY H . . 4.060 3.656 3.386 3.927 . 0 0 "[ . 1 . 2]" 1
545 1 34 THR MG 1 52 ASP HA . . 3.840 2.472 2.107 3.106 . 0 0 "[ . 1 . 2]" 1
546 1 34 THR MG 1 52 ASP HB3 . . 5.240 3.817 2.702 4.364 . 0 0 "[ . 1 . 2]" 1
547 1 34 THR MG 1 53 TYR H . . 5.110 4.203 3.656 4.961 . 0 0 "[ . 1 . 2]" 1
548 1 35 GLY H 1 36 SER HA . . 5.460 4.921 4.730 5.220 . 0 0 "[ . 1 . 2]" 1
549 1 35 GLY H 1 52 ASP HA . . 4.080 3.202 2.724 3.646 . 0 0 "[ . 1 . 2]" 1
550 1 35 GLY HA2 1 36 SER H . . 3.260 2.522 2.364 2.812 . 0 0 "[ . 1 . 2]" 1
551 1 35 GLY HA3 1 36 SER H . . 3.180 2.599 2.377 2.822 . 0 0 "[ . 1 . 2]" 1
552 1 36 SER H 1 37 PHE H . . 5.090 4.408 4.271 4.509 . 0 0 "[ . 1 . 2]" 1
553 1 36 SER HA 1 37 PHE H . . 3.250 2.338 2.221 2.457 . 0 0 "[ . 1 . 2]" 1
554 1 36 SER HA 1 37 PHE HA . . 4.930 4.528 4.454 4.574 . 0 0 "[ . 1 . 2]" 1
555 1 36 SER HA 1 37 PHE HB3 . . 4.630 4.358 4.079 4.620 . 0 0 "[ . 1 . 2]" 1
556 1 37 PHE H 1 37 PHE HB3 . . 3.880 2.724 2.474 2.966 . 0 0 "[ . 1 . 2]" 1
557 1 37 PHE H 1 37 PHE QD . . 5.500 4.420 4.284 4.533 . 0 0 "[ . 1 . 2]" 1
558 1 37 PHE H 1 48 PHE HA . . 5.230 4.518 4.148 4.765 . 0 0 "[ . 1 . 2]" 1
559 1 37 PHE H 1 49 GLN H . . 3.780 3.025 2.735 3.200 . 0 0 "[ . 1 . 2]" 1
560 1 37 PHE H 1 49 GLN HE21 . . 5.500 5.368 4.258 5.678 0.178 16 0 "[ . 1 . 2]" 1
561 1 37 PHE H 1 49 GLN HG3 . . 5.330 3.184 2.552 3.508 . 0 0 "[ . 1 . 2]" 1
562 1 37 PHE H 1 50 MET HA . . 3.990 3.527 3.160 4.047 0.057 18 0 "[ . 1 . 2]" 1
563 1 37 PHE HA 1 37 PHE QD . . 3.210 2.389 2.172 2.663 . 0 0 "[ . 1 . 2]" 1
564 1 37 PHE HA 1 38 GLY H . . 2.950 2.242 2.145 2.390 . 0 0 "[ . 1 . 2]" 1
565 1 37 PHE HA 1 38 GLY HA3 . . 4.730 4.480 4.406 4.575 . 0 0 "[ . 1 . 2]" 1
566 1 37 PHE HB3 1 38 GLY H . . 5.260 4.326 4.007 4.614 . 0 0 "[ . 1 . 2]" 1
567 1 37 PHE HB3 1 49 GLN H . . 5.300 4.043 3.709 4.412 . 0 0 "[ . 1 . 2]" 1
568 1 37 PHE HB3 1 49 GLN HE22 . . 5.200 4.408 3.534 4.762 . 0 0 "[ . 1 . 2]" 1
569 1 37 PHE HB3 1 49 GLN HG3 . . 4.240 2.305 2.111 2.631 . 0 0 "[ . 1 . 2]" 1
570 1 37 PHE QD 1 38 GLY H . . 3.520 2.945 2.398 3.572 0.052 17 0 "[ . 1 . 2]" 1
571 1 37 PHE QD 1 49 GLN HB3 . . 5.020 4.836 4.240 5.095 0.075 10 0 "[ . 1 . 2]" 1
572 1 37 PHE QD 1 49 GLN HE21 . . 5.450 4.055 2.867 4.745 . 0 0 "[ . 1 . 2]" 1
573 1 37 PHE QD 1 49 GLN HG3 . . 4.200 3.290 2.675 3.825 . 0 0 "[ . 1 . 2]" 1
574 1 37 PHE QD 1 91 GLU HG3 . . 4.330 3.319 2.462 3.705 . 0 0 "[ . 1 . 2]" 1
575 1 37 PHE QE 1 39 ILE MD . . 3.810 2.807 2.290 3.886 0.076 6 0 "[ . 1 . 2]" 1
576 1 37 PHE QE 1 39 ILE HG13 . . 4.920 3.585 2.976 4.311 . 0 0 "[ . 1 . 2]" 1
577 1 37 PHE QE 1 39 ILE MG . . 5.500 4.760 4.265 5.281 . 0 0 "[ . 1 . 2]" 1
578 1 37 PHE QE 1 90 SER HB3 . . 3.390 2.799 2.243 3.454 0.064 20 0 "[ . 1 . 2]" 1
579 1 37 PHE QE 1 91 GLU H . . 5.460 5.091 4.558 5.392 . 0 0 "[ . 1 . 2]" 1
580 1 37 PHE QE 1 91 GLU HA . . 3.850 3.657 2.830 3.962 0.112 13 0 "[ . 1 . 2]" 1
581 1 37 PHE QE 1 91 GLU HG3 . . 4.360 3.169 2.731 3.863 . 0 0 "[ . 1 . 2]" 1
582 1 38 GLY H 1 39 ILE H . . 5.020 4.325 4.036 4.467 . 0 0 "[ . 1 . 2]" 1
583 1 38 GLY H 1 39 ILE HG13 . . 5.450 4.808 4.423 5.209 . 0 0 "[ . 1 . 2]" 1
584 1 38 GLY H 1 40 TYR QE . . 4.690 4.323 3.666 4.755 0.065 19 0 "[ . 1 . 2]" 1
585 1 38 GLY HA2 1 39 ILE H . . 3.210 2.300 2.147 2.417 . 0 0 "[ . 1 . 2]" 1
586 1 38 GLY HA2 1 48 PHE HA . . 3.280 2.596 2.344 2.897 . 0 0 "[ . 1 . 2]" 1
587 1 38 GLY HA2 1 49 GLN H . . 4.500 3.955 3.513 4.239 . 0 0 "[ . 1 . 2]" 1
588 1 38 GLY HA3 1 39 ILE H . . 3.340 2.947 2.694 3.399 0.059 17 0 "[ . 1 . 2]" 1
589 1 38 GLY HA3 1 40 TYR QE . . 3.360 3.030 2.477 3.427 0.067 4 0 "[ . 1 . 2]" 1
590 1 38 GLY HA3 1 48 PHE HA . . 3.690 3.520 2.931 3.760 0.070 9 0 "[ . 1 . 2]" 1
591 1 38 GLY HA3 1 48 PHE QD . . 3.730 3.638 3.112 3.810 0.080 2 0 "[ . 1 . 2]" 1
592 1 38 GLY HA3 1 48 PHE QE . . 5.500 4.946 4.389 5.567 0.067 6 0 "[ . 1 . 2]" 1
593 1 38 GLY HA3 1 49 GLN H . . 5.060 4.879 4.398 5.104 0.044 13 0 "[ . 1 . 2]" 1
594 1 39 ILE H 1 39 ILE HB . . 3.530 2.726 2.513 2.983 . 0 0 "[ . 1 . 2]" 1
595 1 39 ILE H 1 39 ILE MD . . 4.370 4.065 3.376 4.444 0.074 15 0 "[ . 1 . 2]" 1
596 1 39 ILE H 1 39 ILE HG13 . . 4.110 2.800 2.184 3.190 . 0 0 "[ . 1 . 2]" 1
597 1 39 ILE H 1 39 ILE MG . . 4.530 3.907 3.808 3.996 . 0 0 "[ . 1 . 2]" 1
598 1 39 ILE H 1 40 TYR H . . 5.070 4.410 4.173 4.666 . 0 0 "[ . 1 . 2]" 1
599 1 39 ILE H 1 46 ILE H . . 4.500 3.903 3.484 4.574 0.074 8 0 "[ . 1 . 2]" 1
600 1 39 ILE H 1 47 SER H . . 3.840 2.841 2.479 3.496 . 0 0 "[ . 1 . 2]" 1
601 1 39 ILE H 1 47 SER HB3 . . 5.210 2.853 1.706 4.023 . 0 0 "[ . 1 . 2]" 1
602 1 39 ILE H 1 48 PHE HA . . 4.380 4.224 3.857 4.460 0.080 13 0 "[ . 1 . 2]" 1
603 1 39 ILE HA 1 39 ILE MD . . 4.470 3.913 3.800 3.977 . 0 0 "[ . 1 . 2]" 1
604 1 39 ILE HA 1 39 ILE MG . . 3.350 2.404 2.343 2.473 . 0 0 "[ . 1 . 2]" 1
605 1 39 ILE HA 1 40 TYR H . . 3.050 2.267 2.184 2.361 . 0 0 "[ . 1 . 2]" 1
606 1 39 ILE HA 1 40 TYR QD . . 4.150 3.124 2.754 3.669 . 0 0 "[ . 1 . 2]" 1
607 1 39 ILE HB 1 39 ILE MD . . 3.500 2.442 2.301 2.614 . 0 0 "[ . 1 . 2]" 1
608 1 39 ILE HB 1 40 TYR H . . 4.920 3.994 3.822 4.277 . 0 0 "[ . 1 . 2]" 1
609 1 39 ILE HB 1 40 TYR HA . . 4.940 4.810 4.564 4.991 0.051 18 0 "[ . 1 . 2]" 1
610 1 39 ILE HB 1 46 ILE H . . 4.740 4.015 3.594 4.545 . 0 0 "[ . 1 . 2]" 1
611 1 39 ILE HB 1 46 ILE HB . . 3.680 3.548 3.135 3.757 0.077 8 0 "[ . 1 . 2]" 1
612 1 39 ILE HB 1 47 SER HB3 . . 3.970 2.425 2.034 4.025 0.055 16 0 "[ . 1 . 2]" 1
613 1 39 ILE MD 1 47 SER HB3 . . 4.130 2.788 2.281 3.862 . 0 0 "[ . 1 . 2]" 1
614 1 39 ILE HG13 1 47 SER HB3 . . 5.310 2.757 2.295 4.570 . 0 0 "[ . 1 . 2]" 1
615 1 39 ILE MG 1 40 TYR H . . 3.390 2.428 2.237 2.867 . 0 0 "[ . 1 . 2]" 1
616 1 39 ILE MG 1 40 TYR HA . . 3.920 3.834 3.629 3.999 0.079 18 0 "[ . 1 . 2]" 1
617 1 39 ILE MG 1 46 ILE HB . . 3.620 3.354 2.838 3.703 0.083 17 0 "[ . 1 . 2]" 1
618 1 40 TYR H 1 40 TYR HB3 . . 3.520 3.690 3.583 3.788 0.268 8 0 "[ . 1 . 2]" 1
619 1 40 TYR H 1 40 TYR QD . . 3.240 2.908 2.636 3.153 . 0 0 "[ . 1 . 2]" 1
620 1 40 TYR HA 1 41 SER H . . 3.080 2.248 2.084 2.395 . 0 0 "[ . 1 . 2]" 1
621 1 40 TYR HA 1 44 THR H . . 4.890 4.330 3.951 4.683 . 0 0 "[ . 1 . 2]" 1
622 1 40 TYR HA 1 45 PRO HA . . 3.100 2.371 2.063 2.625 . 0 0 "[ . 1 . 2]" 1
623 1 40 TYR HA 1 45 PRO HB3 . . 5.250 4.555 4.028 4.851 . 0 0 "[ . 1 . 2]" 1
624 1 40 TYR HA 1 46 ILE H . . 3.660 2.639 2.259 3.067 . 0 0 "[ . 1 . 2]" 1
625 1 40 TYR HA 1 46 ILE HB . . 4.580 3.899 3.196 4.665 0.085 10 0 "[ . 1 . 2]" 1
626 1 40 TYR HA 1 46 ILE MD . . 4.290 4.139 1.944 4.377 0.087 8 0 "[ . 1 . 2]" 1
627 1 40 TYR HA 1 46 ILE HG13 . . 4.060 4.152 3.620 4.707 0.647 4 2 "[ +. 1 . -]" 1
628 1 40 TYR HA 1 47 SER H . . 5.100 4.365 4.058 4.811 . 0 0 "[ . 1 . 2]" 1
629 1 40 TYR QD 1 41 SER H . . 4.850 4.053 3.619 4.376 . 0 0 "[ . 1 . 2]" 1
630 1 40 TYR QD 1 43 ALA MB . . 5.500 5.144 4.167 5.613 0.113 8 0 "[ . 1 . 2]" 1
631 1 40 TYR QD 1 44 THR H . . 5.500 3.511 3.044 3.942 . 0 0 "[ . 1 . 2]" 1
632 1 40 TYR QD 1 44 THR HA . . 4.230 4.057 3.657 4.313 0.083 10 0 "[ . 1 . 2]" 1
633 1 40 TYR QD 1 45 PRO HA . . 3.340 2.936 2.599 3.281 . 0 0 "[ . 1 . 2]" 1
634 1 40 TYR QD 1 46 ILE H . . 5.220 4.446 4.097 4.756 . 0 0 "[ . 1 . 2]" 1
635 1 40 TYR QE 1 45 PRO HB3 . . 4.500 2.712 2.327 2.994 . 0 0 "[ . 1 . 2]" 1
636 1 40 TYR QE 1 45 PRO HD3 . . 4.260 3.054 2.421 3.914 . 0 0 "[ . 1 . 2]" 1
637 1 41 SER H 1 41 SER HB3 . . 3.820 3.399 2.324 3.700 . 0 0 "[ . 1 . 2]" 1
638 1 41 SER H 1 42 ASN H . . 5.470 4.174 3.896 4.375 . 0 0 "[ . 1 . 2]" 1
639 1 41 SER H 1 43 ALA HA . . 5.300 5.313 5.169 5.381 0.081 20 0 "[ . 1 . 2]" 1
640 1 41 SER H 1 44 THR H . . 4.250 3.000 2.732 3.533 . 0 0 "[ . 1 . 2]" 1
641 1 41 SER H 1 44 THR HB . . 4.000 3.429 3.200 3.708 . 0 0 "[ . 1 . 2]" 1
642 1 41 SER H 1 44 THR MG . . 5.230 4.323 4.052 4.544 . 0 0 "[ . 1 . 2]" 1
643 1 41 SER H 1 45 PRO HA . . 4.460 3.837 3.457 4.060 . 0 0 "[ . 1 . 2]" 1
644 1 41 SER H 1 46 ILE H . . 4.230 4.115 3.595 4.294 0.064 6 0 "[ . 1 . 2]" 1
645 1 41 SER H 1 46 ILE HB . . 5.290 4.390 3.751 4.969 . 0 0 "[ . 1 . 2]" 1
646 1 41 SER H 1 46 ILE MD . . 4.530 3.334 1.822 3.696 . 0 0 "[ . 1 . 2]" 1
647 1 41 SER H 1 46 ILE HG13 . . 4.330 3.331 2.833 3.641 . 0 0 "[ . 1 . 2]" 1
648 1 41 SER H 1 46 ILE MG . . 5.050 4.998 4.582 5.163 0.113 10 0 "[ . 1 . 2]" 1
649 1 41 SER HB3 1 42 ASN H . . 4.860 3.586 3.074 3.964 . 0 0 "[ . 1 . 2]" 1
650 1 41 SER HB3 1 44 THR HB . . 4.270 3.807 2.079 4.339 0.069 6 0 "[ . 1 . 2]" 1
651 1 41 SER HB3 1 46 ILE MD . . 3.620 3.639 3.102 3.916 0.296 14 0 "[ . 1 . 2]" 1
652 1 41 SER HB3 1 46 ILE HG13 . . 4.650 3.773 3.090 4.165 . 0 0 "[ . 1 . 2]" 1
653 1 42 ASN H 1 42 ASN HD21 . . 5.500 4.222 2.382 4.829 . 0 0 "[ . 1 . 2]" 1
654 1 42 ASN H 1 42 ASN HD22 . . 5.500 5.030 4.029 5.557 0.057 6 0 "[ . 1 . 2]" 1
655 1 42 ASN H 1 43 ALA H . . 5.140 3.965 3.163 4.204 . 0 0 "[ . 1 . 2]" 1
656 1 42 ASN HA 1 42 ASN HD22 . . 5.500 3.612 3.420 3.853 . 0 0 "[ . 1 . 2]" 1
657 1 42 ASN HB3 1 43 ALA H . . 3.270 2.364 1.905 3.294 0.024 8 0 "[ . 1 . 2]" 1
658 1 42 ASN HB3 1 43 ALA MB . . 5.060 3.618 3.290 4.174 . 0 0 "[ . 1 . 2]" 1
659 1 42 ASN HB3 1 44 THR H . . 5.500 4.611 3.843 5.494 . 0 0 "[ . 1 . 2]" 1
660 1 42 ASN HD21 1 43 ALA H . . 5.270 4.985 4.164 5.341 0.071 8 0 "[ . 1 . 2]" 1
661 1 43 ALA HA 1 44 THR H . . 3.440 2.808 2.498 3.319 . 0 0 "[ . 1 . 2]" 1
662 1 43 ALA MB 1 44 THR H . . 5.170 3.728 3.402 3.796 . 0 0 "[ . 1 . 2]" 1
663 1 43 ALA MB 1 44 THR HA . . 4.590 4.391 4.160 4.483 . 0 0 "[ . 1 . 2]" 1
664 1 44 THR H 1 44 THR HB . . 3.200 2.752 2.457 3.021 . 0 0 "[ . 1 . 2]" 1
665 1 44 THR H 1 44 THR MG . . 4.170 3.913 3.748 4.004 . 0 0 "[ . 1 . 2]" 1
666 1 44 THR HA 1 44 THR MG . . 3.090 2.401 2.299 2.532 . 0 0 "[ . 1 . 2]" 1
667 1 44 THR HA 1 45 PRO HD3 . . 3.050 2.535 2.276 2.727 . 0 0 "[ . 1 . 2]" 1
668 1 44 THR HA 1 45 PRO HG3 . . 4.340 4.574 4.462 4.645 0.305 8 0 "[ . 1 . 2]" 1
669 1 44 THR HB 1 46 ILE MD . . 4.400 2.566 2.085 4.098 . 0 0 "[ . 1 . 2]" 1
670 1 44 THR MG 1 45 PRO HA . . 4.720 4.301 4.104 4.513 . 0 0 "[ . 1 . 2]" 1
671 1 44 THR MG 1 45 PRO HD3 . . 3.900 3.742 3.536 3.971 0.071 15 0 "[ . 1 . 2]" 1
672 1 44 THR MG 1 46 ILE H . . 5.140 4.759 4.495 5.023 . 0 0 "[ . 1 . 2]" 1
673 1 44 THR MG 1 46 ILE MD . . 3.920 2.226 2.002 4.014 0.094 10 0 "[ . 1 . 2]" 1
674 1 45 PRO HA 1 46 ILE H . . 2.870 2.209 2.165 2.259 . 0 0 "[ . 1 . 2]" 1
675 1 45 PRO HA 1 46 ILE HB . . 4.920 4.712 4.414 5.010 0.090 10 0 "[ . 1 . 2]" 1
676 1 45 PRO HA 1 46 ILE HG13 . . 5.290 5.209 3.919 5.493 0.203 8 0 "[ . 1 . 2]" 1
677 1 45 PRO HA 1 47 SER H . . 3.950 3.791 3.617 3.950 0.000 9 0 "[ . 1 . 2]" 1
678 1 45 PRO HB3 1 46 ILE H . . 4.380 4.005 3.846 4.141 . 0 0 "[ . 1 . 2]" 1
679 1 45 PRO HB3 1 47 SER H . . 4.780 4.803 4.323 5.057 0.277 9 0 "[ . 1 . 2]" 1
680 1 45 PRO HG3 1 46 ILE H . . 5.300 5.665 5.510 5.780 0.480 14 0 "[ . 1 . 2]" 1
681 1 46 ILE H 1 46 ILE HB . . 3.350 2.763 2.587 3.132 . 0 0 "[ . 1 . 2]" 1
682 1 46 ILE H 1 46 ILE MD . . 4.500 3.622 2.287 3.958 . 0 0 "[ . 1 . 2]" 1
683 1 46 ILE H 1 46 ILE HG13 . . 3.840 4.051 3.300 4.282 0.442 8 0 "[ . 1 . 2]" 1
684 1 46 ILE H 1 46 ILE MG . . 4.070 3.947 3.880 4.027 . 0 0 "[ . 1 . 2]" 1
685 1 46 ILE H 1 47 SER H . . 2.970 2.052 1.927 2.295 . 0 0 "[ . 1 . 2]" 1
686 1 46 ILE H 1 47 SER HA . . 5.470 4.725 4.581 4.940 . 0 0 "[ . 1 . 2]" 1
687 1 46 ILE HA 1 46 ILE MD . . 3.390 2.427 2.170 3.513 0.123 10 0 "[ . 1 . 2]" 1
688 1 46 ILE HA 1 46 ILE HG13 . . 3.760 3.841 2.883 4.002 0.242 18 0 "[ . 1 . 2]" 1
689 1 46 ILE HA 1 46 ILE MG . . 3.200 2.317 2.162 2.459 . 0 0 "[ . 1 . 2]" 1
690 1 46 ILE HB 1 46 ILE MD . . 3.720 3.225 1.984 3.303 . 0 0 "[ . 1 . 2]" 1
691 1 46 ILE MD 1 47 SER H . . 5.110 4.827 3.487 4.993 . 0 0 "[ . 1 . 2]" 1
692 1 46 ILE HG13 1 47 SER H . . 4.780 5.451 4.859 5.839 1.059 14 17 "[*-*******1 **+.*****]" 1
693 1 46 ILE MG 1 47 SER H . . 4.290 4.156 3.719 4.387 0.097 14 0 "[ . 1 . 2]" 1
694 1 46 ILE MG 1 47 SER HA . . 4.670 4.425 4.077 4.742 0.072 10 0 "[ . 1 . 2]" 1
695 1 47 SER H 1 47 SER HB3 . . 4.000 3.106 2.708 3.915 . 0 0 "[ . 1 . 2]" 1
696 1 47 SER H 1 48 PHE H . . 4.750 4.263 4.175 4.407 . 0 0 "[ . 1 . 2]" 1
697 1 47 SER HA 1 48 PHE H . . 2.680 2.306 2.191 2.446 . 0 0 "[ . 1 . 2]" 1
698 1 47 SER HB3 1 48 PHE H . . 4.000 3.403 2.335 4.081 0.081 10 0 "[ . 1 . 2]" 1
699 1 48 PHE H 1 48 PHE HB3 . . 3.640 3.168 2.856 3.376 . 0 0 "[ . 1 . 2]" 1
700 1 48 PHE H 1 48 PHE QD . . 5.080 4.529 4.414 4.601 . 0 0 "[ . 1 . 2]" 1
701 1 48 PHE H 1 49 GLN H . . 5.310 4.118 3.738 4.277 . 0 0 "[ . 1 . 2]" 1
702 1 48 PHE H 1 49 GLN HB3 . . 5.500 4.472 4.274 4.698 . 0 0 "[ . 1 . 2]" 1
703 1 48 PHE HA 1 48 PHE QD . . 3.670 2.636 2.230 3.038 . 0 0 "[ . 1 . 2]" 1
704 1 48 PHE HA 1 48 PHE QE . . 4.440 4.501 4.425 4.534 0.094 10 0 "[ . 1 . 2]" 1
705 1 48 PHE HA 1 49 GLN H . . 2.850 2.259 2.126 2.353 . 0 0 "[ . 1 . 2]" 1
706 1 48 PHE HB3 1 49 GLN H . . 4.500 3.967 3.570 4.313 . 0 0 "[ . 1 . 2]" 1
707 1 48 PHE QD 1 49 GLN H . . 4.410 3.323 2.526 3.866 . 0 0 "[ . 1 . 2]" 1
708 1 48 PHE QD 1 50 MET HG3 . . 4.640 3.943 3.337 4.487 . 0 0 "[ . 1 . 2]" 1
709 1 48 PHE QE 1 50 MET ME . . 3.830 3.766 3.467 3.931 0.101 5 0 "[ . 1 . 2]" 1
710 1 48 PHE QE 1 50 MET HG3 . . 3.890 3.158 2.511 3.651 . 0 0 "[ . 1 . 2]" 1
711 1 49 GLN H 1 49 GLN HG3 . . 3.970 3.188 2.498 3.554 . 0 0 "[ . 1 . 2]" 1
712 1 49 GLN H 1 50 MET H . . 5.220 4.295 4.166 4.400 . 0 0 "[ . 1 . 2]" 1
713 1 49 GLN HA 1 50 MET H . . 2.780 2.469 2.386 2.554 . 0 0 "[ . 1 . 2]" 1
714 1 49 GLN HA 1 66 TYR QE . . 4.820 3.755 3.352 4.200 . 0 0 "[ . 1 . 2]" 1
715 1 49 GLN HA 1 67 PRO HD3 . . 3.780 3.194 2.476 3.853 0.073 19 0 "[ . 1 . 2]" 1
716 1 49 GLN HB3 1 49 GLN HE22 . . 4.510 4.454 4.148 4.930 0.420 19 0 "[ . 1 . 2]" 1
717 1 49 GLN HB3 1 50 MET H . . 4.260 3.851 3.714 4.002 . 0 0 "[ . 1 . 2]" 1
718 1 49 GLN HB3 1 65 VAL QG . . 4.570 3.996 3.564 4.342 . 0 0 "[ . 1 . 2]" 1
719 1 49 GLN HE21 1 62 ILE MG . . 5.300 4.970 4.364 5.365 0.065 4 0 "[ . 1 . 2]" 1
720 1 49 GLN HE21 1 65 VAL QG . . 4.530 2.410 2.070 3.011 . 0 0 "[ . 1 . 2]" 1
721 1 49 GLN HE22 1 62 ILE MG . . 5.210 4.861 4.046 5.305 0.095 2 0 "[ . 1 . 2]" 1
722 1 49 GLN HE22 1 65 VAL QG . . 4.830 2.727 2.375 3.320 . 0 0 "[ . 1 . 2]" 1
723 1 49 GLN HG3 1 50 MET H . . 5.070 3.885 3.491 4.375 . 0 0 "[ . 1 . 2]" 1
724 1 49 GLN HG3 1 65 VAL QG . . 5.040 4.045 3.627 4.367 . 0 0 "[ . 1 . 2]" 1
725 1 50 MET H 1 50 MET HB3 . . 4.100 3.845 3.752 3.952 . 0 0 "[ . 1 . 2]" 1
726 1 50 MET H 1 50 MET ME . . 4.410 4.424 4.153 4.516 0.106 4 0 "[ . 1 . 2]" 1
727 1 50 MET H 1 50 MET HG3 . . 4.090 3.264 3.047 3.515 . 0 0 "[ . 1 . 2]" 1
728 1 50 MET H 1 65 VAL QG . . 4.910 3.715 3.157 4.104 . 0 0 "[ . 1 . 2]" 1
729 1 50 MET H 1 66 TYR H . . 4.080 3.159 2.978 3.505 . 0 0 "[ . 1 . 2]" 1
730 1 50 MET H 1 66 TYR QD . . 4.370 2.378 2.117 2.729 . 0 0 "[ . 1 . 2]" 1
731 1 50 MET H 1 67 PRO HD3 . . 4.980 4.265 3.790 4.826 . 0 0 "[ . 1 . 2]" 1
732 1 50 MET HA 1 50 MET ME . . 4.660 4.430 4.255 4.499 . 0 0 "[ . 1 . 2]" 1
733 1 50 MET HA 1 50 MET HG3 . . 3.650 3.297 3.144 3.491 . 0 0 "[ . 1 . 2]" 1
734 1 50 MET HB3 1 50 MET ME . . 2.580 2.603 2.202 2.875 0.295 12 0 "[ . 1 . 2]" 1
735 1 50 MET HB3 1 50 MET HG3 . . 2.550 2.927 2.664 3.054 0.504 6 1 "[ .+ 1 . 2]" 1
736 1 50 MET ME 1 66 TYR QD . . 3.750 3.465 3.203 3.837 0.087 15 0 "[ . 1 . 2]" 1
737 1 50 MET ME 1 66 TYR QE . . 4.310 2.398 2.168 2.968 . 0 0 "[ . 1 . 2]" 1
738 1 50 MET HG3 1 66 TYR QD . . 4.860 3.681 3.238 4.034 . 0 0 "[ . 1 . 2]" 1
739 1 51 PHE HA 1 52 ASP H . . 3.160 2.278 2.178 2.470 . 0 0 "[ . 1 . 2]" 1
740 1 51 PHE HA 1 62 ILE MG . . 4.900 4.689 4.185 4.953 0.053 5 0 "[ . 1 . 2]" 1
741 1 51 PHE HA 1 64 ASP HB3 . . 4.720 4.416 3.637 5.914 1.194 16 2 "[ . 1 -.+ 2]" 1
742 1 51 PHE HA 1 65 VAL HA . . 3.550 2.525 2.159 2.816 . 0 0 "[ . 1 . 2]" 1
743 1 51 PHE HA 1 65 VAL QG . . 4.380 3.473 3.235 3.656 . 0 0 "[ . 1 . 2]" 1
744 1 51 PHE HA 1 66 TYR H . . 4.560 3.805 3.341 4.090 . 0 0 "[ . 1 . 2]" 1
745 1 51 PHE HB3 1 52 ASP H . . 3.440 3.787 3.521 4.024 0.584 12 4 "[ . 1 +* . - *2]" 1
746 1 51 PHE HB3 1 62 ILE HA . . 5.190 6.000 5.603 6.407 1.217 18 19 "[ ************-***+**]" 1
747 1 51 PHE HB3 1 62 ILE MD . . 5.190 4.773 4.182 5.233 0.043 9 0 "[ . 1 . 2]" 1
748 1 51 PHE HB3 1 62 ILE MG . . 3.540 3.502 3.025 3.796 0.256 20 0 "[ . 1 . 2]" 1
749 1 51 PHE HB3 1 63 TYR H . . 4.300 5.609 5.311 6.048 1.748 18 20 [*********-*******+**] 1
750 1 51 PHE HB3 1 65 VAL HA . . 4.310 2.257 2.033 2.809 . 0 0 "[ . 1 . 2]" 1
751 1 51 PHE HB3 1 65 VAL QG . . 3.840 2.046 1.941 2.171 . 0 0 "[ . 1 . 2]" 1
752 1 51 PHE HB3 1 66 TYR H . . 5.500 3.660 3.213 3.975 . 0 0 "[ . 1 . 2]" 1
753 1 52 ASP H 1 52 ASP HB3 . . 4.210 3.173 2.608 3.645 . 0 0 "[ . 1 . 2]" 1
754 1 52 ASP H 1 53 TYR H . . 5.320 4.565 4.442 4.711 . 0 0 "[ . 1 . 2]" 1
755 1 52 ASP H 1 62 ILE MG . . 5.190 4.371 3.604 4.772 . 0 0 "[ . 1 . 2]" 1
756 1 52 ASP H 1 64 ASP HB3 . . 3.970 2.933 1.997 4.774 0.804 16 2 "[ . 1 -.+ 2]" 1
757 1 52 ASP HA 1 53 TYR H . . 3.020 2.459 2.283 2.623 . 0 0 "[ . 1 . 2]" 1
758 1 52 ASP HB3 1 53 TYR H . . 3.750 2.811 2.237 3.596 . 0 0 "[ . 1 . 2]" 1
759 1 52 ASP HB3 1 63 TYR QD . . 5.360 4.304 3.881 5.199 . 0 0 "[ . 1 . 2]" 1
760 1 52 ASP HB3 1 63 TYR QE . . 4.450 3.060 2.376 4.546 0.096 18 0 "[ . 1 . 2]" 1
761 1 52 ASP HB3 1 64 ASP HB3 . . 4.710 3.515 2.298 5.087 0.377 14 0 "[ . 1 . 2]" 1
762 1 53 TYR H 1 63 TYR QE . . 4.310 3.462 2.963 4.187 . 0 0 "[ . 1 . 2]" 1
763 1 53 TYR HA 1 54 LYS H . . 2.930 2.428 2.137 2.551 . 0 0 "[ . 1 . 2]" 1
764 1 53 TYR HA 1 54 LYS HA . . 4.840 4.545 4.361 4.603 . 0 0 "[ . 1 . 2]" 1
765 1 53 TYR HA 1 60 ILE MG . . 4.780 3.647 3.207 3.916 . 0 0 "[ . 1 . 2]" 1
766 1 53 TYR HA 1 61 TYR H . . 4.890 4.430 3.861 4.830 . 0 0 "[ . 1 . 2]" 1
767 1 53 TYR HA 1 62 ILE HA . . 3.660 2.890 2.677 3.103 . 0 0 "[ . 1 . 2]" 1
768 1 53 TYR HA 1 62 ILE MD . . 3.450 3.249 2.878 3.536 0.086 10 0 "[ . 1 . 2]" 1
769 1 53 TYR HA 1 63 TYR H . . 5.040 3.975 3.474 4.564 . 0 0 "[ . 1 . 2]" 1
770 1 53 TYR HA 1 63 TYR QD . . 3.980 3.240 2.724 3.952 . 0 0 "[ . 1 . 2]" 1
771 1 53 TYR QD 1 60 ILE HG13 . . 5.360 5.679 4.384 6.560 1.200 15 7 "[ . *1* -*+** 2]" 1
772 1 53 TYR QD 1 60 ILE MG . . 3.060 2.325 2.001 2.718 . 0 0 "[ . 1 . 2]" 1
773 1 53 TYR QD 1 62 ILE MD . . 4.010 3.470 1.989 4.131 0.121 3 0 "[ . 1 . 2]" 1
774 1 54 LYS H 1 54 LYS HB3 . . 3.990 3.888 3.820 3.931 . 0 0 "[ . 1 . 2]" 1
775 1 54 LYS H 1 54 LYS HG3 . . 4.730 4.190 3.154 4.489 . 0 0 "[ . 1 . 2]" 1
776 1 54 LYS H 1 55 ILE H . . 4.750 4.336 4.139 4.472 . 0 0 "[ . 1 . 2]" 1
777 1 54 LYS H 1 55 ILE MD . . 5.380 4.214 3.916 4.723 . 0 0 "[ . 1 . 2]" 1
778 1 54 LYS H 1 56 GLU H . . 5.300 5.350 5.187 5.384 0.084 6 0 "[ . 1 . 2]" 1
779 1 54 LYS H 1 60 ILE MG . . 4.160 3.433 2.999 3.786 . 0 0 "[ . 1 . 2]" 1
780 1 54 LYS H 1 61 TYR H . . 3.850 2.692 2.459 2.949 . 0 0 "[ . 1 . 2]" 1
781 1 54 LYS H 1 61 TYR HB3 . . 4.360 2.650 2.414 2.819 . 0 0 "[ . 1 . 2]" 1
782 1 54 LYS H 1 61 TYR QD . . 4.980 3.749 3.414 4.086 . 0 0 "[ . 1 . 2]" 1
783 1 54 LYS H 1 62 ILE MD . . 5.280 4.208 3.672 4.561 . 0 0 "[ . 1 . 2]" 1
784 1 54 LYS H 1 63 TYR QD . . 4.410 3.879 3.508 4.242 . 0 0 "[ . 1 . 2]" 1
785 1 54 LYS H 1 63 TYR QE . . 3.940 3.609 2.987 4.005 0.065 18 0 "[ . 1 . 2]" 1
786 1 54 LYS HA 1 54 LYS HG3 . . 4.170 3.728 3.279 3.863 . 0 0 "[ . 1 . 2]" 1
787 1 54 LYS HA 1 55 ILE H . . 2.670 2.312 2.118 2.429 . 0 0 "[ . 1 . 2]" 1
788 1 54 LYS HA 1 55 ILE HB . . 5.010 4.818 4.702 4.965 . 0 0 "[ . 1 . 2]" 1
789 1 54 LYS HA 1 63 TYR QE . . 4.660 4.486 4.268 4.752 0.092 18 0 "[ . 1 . 2]" 1
790 1 54 LYS HB3 1 55 ILE H . . 3.540 2.760 2.473 3.374 . 0 0 "[ . 1 . 2]" 1
791 1 54 LYS HB3 1 61 TYR QD . . 4.430 4.133 3.820 4.454 0.024 4 0 "[ . 1 . 2]" 1
792 1 54 LYS HG3 1 55 ILE H . . 4.820 5.094 4.873 5.555 0.735 7 3 "[ -. + 1 .* 2]" 1
793 1 54 LYS HG3 1 61 TYR QD . . 4.520 3.184 2.760 3.387 . 0 0 "[ . 1 . 2]" 1
794 1 54 LYS HG3 1 63 TYR QD . . 5.300 4.408 3.185 5.104 . 0 0 "[ . 1 . 2]" 1
795 1 54 LYS HG3 1 63 TYR QE . . 3.170 3.226 2.071 3.749 0.579 9 4 "[ - +1 . * *2]" 1
796 1 55 ILE H 1 55 ILE HB . . 2.950 2.680 2.530 2.846 . 0 0 "[ . 1 . 2]" 1
797 1 55 ILE H 1 55 ILE MD . . 3.690 3.611 3.291 3.776 0.086 1 0 "[ . 1 . 2]" 1
798 1 55 ILE H 1 55 ILE HG13 . . 3.970 4.028 3.928 4.051 0.081 8 0 "[ . 1 . 2]" 1
799 1 55 ILE H 1 55 ILE MG . . 4.140 3.906 3.807 4.011 . 0 0 "[ . 1 . 2]" 1
800 1 55 ILE HA 1 55 ILE MD . . 3.150 2.323 2.203 2.538 . 0 0 "[ . 1 . 2]" 1
801 1 55 ILE HA 1 55 ILE MG . . 3.150 2.363 2.255 2.640 . 0 0 "[ . 1 . 2]" 1
802 1 55 ILE HA 1 56 GLU H . . 2.800 2.248 2.111 2.347 . 0 0 "[ . 1 . 2]" 1
803 1 55 ILE HA 1 58 GLY H . . 5.500 4.330 4.172 4.534 . 0 0 "[ . 1 . 2]" 1
804 1 55 ILE HA 1 60 ILE HA . . 3.580 3.321 2.840 3.629 0.049 6 0 "[ . 1 . 2]" 1
805 1 55 ILE HA 1 61 TYR H . . 4.510 3.635 3.330 4.192 . 0 0 "[ . 1 . 2]" 1
806 1 55 ILE HB 1 55 ILE MD . . 3.730 3.272 3.219 3.321 . 0 0 "[ . 1 . 2]" 1
807 1 55 ILE HB 1 56 GLU HA . . 5.210 4.868 4.684 5.008 . 0 0 "[ . 1 . 2]" 1
808 1 55 ILE HB 1 58 GLY H . . 5.150 5.115 4.816 5.238 0.088 13 0 "[ . 1 . 2]" 1
809 1 55 ILE MD 1 58 GLY H . . 4.990 4.934 4.025 5.101 0.111 7 0 "[ . 1 . 2]" 1
810 1 55 ILE MD 1 60 ILE HA . . 3.500 2.217 2.007 2.681 . 0 0 "[ . 1 . 2]" 1
811 1 55 ILE MD 1 60 ILE HG13 . . 3.100 3.440 2.713 4.189 1.089 15 6 "[*- . 1* *+ * 2]" 1
812 1 55 ILE MD 1 61 TYR H . . 5.000 3.427 3.237 3.647 . 0 0 "[ . 1 . 2]" 1
813 1 55 ILE MD 1 62 ILE MD . . 5.500 5.089 4.458 5.582 0.082 18 0 "[ . 1 . 2]" 1
814 1 55 ILE MG 1 56 GLU H . . 3.730 3.492 3.091 3.778 0.048 19 0 "[ . 1 . 2]" 1
815 1 55 ILE MG 1 57 GLU H . . 4.250 3.029 2.367 3.310 . 0 0 "[ . 1 . 2]" 1
816 1 55 ILE MG 1 58 GLY H . . 3.480 2.663 2.161 2.841 . 0 0 "[ . 1 . 2]" 1
817 1 55 ILE MG 1 58 GLY HA2 . . 4.020 2.847 2.501 3.092 . 0 0 "[ . 1 . 2]" 1
818 1 55 ILE MG 1 58 GLY HA3 . . 4.210 4.160 3.770 4.314 0.104 6 0 "[ . 1 . 2]" 1
819 1 55 ILE MG 1 59 ARG H . . 4.170 2.928 2.465 3.444 . 0 0 "[ . 1 . 2]" 1
820 1 55 ILE MG 1 60 ILE HA . . 5.110 4.156 3.798 4.895 . 0 0 "[ . 1 . 2]" 1
821 1 56 GLU H 1 56 GLU HB3 . . 3.600 2.967 2.582 3.668 0.068 12 0 "[ . 1 . 2]" 1
822 1 56 GLU H 1 57 GLU H . . 4.250 2.447 2.269 2.600 . 0 0 "[ . 1 . 2]" 1
823 1 56 GLU H 1 58 GLY H . . 5.130 3.995 3.653 4.204 . 0 0 "[ . 1 . 2]" 1
824 1 56 GLU H 1 59 ARG H . . 4.020 3.894 3.306 4.088 0.068 20 0 "[ . 1 . 2]" 1
825 1 56 GLU HA 1 56 GLU HG3 . . 3.890 2.713 2.249 3.781 . 0 0 "[ . 1 . 2]" 1
826 1 56 GLU HA 1 57 GLU H . . 2.820 2.870 2.571 2.908 0.088 12 0 "[ . 1 . 2]" 1
827 1 56 GLU HA 1 58 GLY H . . 4.710 4.216 3.882 4.454 . 0 0 "[ . 1 . 2]" 1
828 1 56 GLU HB3 1 57 GLU H . . 4.510 4.115 3.966 4.423 . 0 0 "[ . 1 . 2]" 1
829 1 57 GLU H 1 57 GLU HA . . 2.670 2.758 2.722 2.767 0.097 20 0 "[ . 1 . 2]" 1
830 1 57 GLU H 1 57 GLU HB3 . . 4.090 3.712 3.403 4.035 . 0 0 "[ . 1 . 2]" 1
831 1 57 GLU H 1 58 GLY H . . 3.590 1.791 1.663 1.942 . 0 0 "[ . 1 . 2]" 1
832 1 57 GLU H 1 59 ARG H . . 4.800 2.914 2.638 3.127 . 0 0 "[ . 1 . 2]" 1
833 1 57 GLU HA 1 58 GLY H . . 3.000 3.066 2.959 3.085 0.085 7 0 "[ . 1 . 2]" 1
834 1 57 GLU HA 1 59 ARG H . . 4.600 4.325 4.064 4.515 . 0 0 "[ . 1 . 2]" 1
835 1 57 GLU HB3 1 58 GLY H . . 4.300 4.147 3.869 4.266 . 0 0 "[ . 1 . 2]" 1
836 1 57 GLU HB3 1 59 ARG H . . 5.020 3.476 2.950 3.843 . 0 0 "[ . 1 . 2]" 1
837 1 58 GLY H 1 59 ARG H . . 3.420 2.592 2.426 2.816 . 0 0 "[ . 1 . 2]" 1
838 1 59 ARG H 1 59 ARG HB3 . . 4.010 3.791 3.697 3.827 . 0 0 "[ . 1 . 2]" 1
839 1 59 ARG H 1 59 ARG HD3 . . 5.500 5.360 4.352 5.555 0.055 7 0 "[ . 1 . 2]" 1
840 1 59 ARG H 1 60 ILE H . . 5.240 4.328 4.189 4.413 . 0 0 "[ . 1 . 2]" 1
841 1 59 ARG H 1 74 TYR QD . . 5.460 4.463 3.760 5.042 . 0 0 "[ . 1 . 2]" 1
842 1 59 ARG HA 1 59 ARG HD3 . . 5.110 4.326 2.168 4.699 . 0 0 "[ . 1 . 2]" 1
843 1 59 ARG HA 1 59 ARG HG3 . . 3.840 3.110 2.681 3.880 0.040 16 0 "[ . 1 . 2]" 1
844 1 59 ARG HA 1 60 ILE H . . 3.170 2.543 2.261 2.867 . 0 0 "[ . 1 . 2]" 1
845 1 59 ARG HA 1 60 ILE HB . . 5.280 4.993 4.366 5.349 0.069 17 0 "[ . 1 . 2]" 1
846 1 59 ARG HA 1 60 ILE MD . . 5.320 4.974 4.673 5.244 . 0 0 "[ . 1 . 2]" 1
847 1 59 ARG HA 1 60 ILE HG13 . . 4.880 3.605 3.425 3.854 . 0 0 "[ . 1 . 2]" 1
848 1 59 ARG HB3 1 60 ILE H . . 3.490 2.478 2.176 3.405 . 0 0 "[ . 1 . 2]" 1
849 1 59 ARG HB3 1 74 TYR HA . . 5.060 4.387 3.727 5.136 0.076 15 0 "[ . 1 . 2]" 1
850 1 59 ARG HB3 1 74 TYR QD . . 4.030 3.544 2.687 4.121 0.091 15 0 "[ . 1 . 2]" 1
851 1 59 ARG HD3 1 74 TYR QD . . 5.370 4.686 3.845 5.423 0.053 16 0 "[ . 1 . 2]" 1
852 1 59 ARG HD3 1 75 LEU H . . 5.480 4.858 3.533 5.541 0.061 7 0 "[ . 1 . 2]" 1
853 1 59 ARG HG3 1 60 ILE H . . 5.120 4.875 4.589 5.190 0.070 16 0 "[ . 1 . 2]" 1
854 1 59 ARG HG3 1 76 ASP HA . . 3.980 4.061 3.737 4.618 0.638 15 1 "[ . 1 + 2]" 1
855 1 60 ILE H 1 60 ILE HB . . 3.300 2.675 2.351 3.015 . 0 0 "[ . 1 . 2]" 1
856 1 60 ILE H 1 60 ILE MD . . 4.260 3.820 3.517 4.093 . 0 0 "[ . 1 . 2]" 1
857 1 60 ILE H 1 60 ILE HG13 . . 4.150 2.472 1.953 2.918 . 0 0 "[ . 1 . 2]" 1
858 1 60 ILE H 1 60 ILE MG . . 4.480 3.850 3.719 3.926 . 0 0 "[ . 1 . 2]" 1
859 1 60 ILE H 1 61 TYR H . . 4.840 4.396 4.163 4.615 . 0 0 "[ . 1 . 2]" 1
860 1 60 ILE H 1 74 TYR HA . . 5.170 4.481 3.886 4.936 . 0 0 "[ . 1 . 2]" 1
861 1 60 ILE H 1 74 TYR HB3 . . 5.200 4.346 3.929 4.703 . 0 0 "[ . 1 . 2]" 1
862 1 60 ILE H 1 74 TYR QD . . 4.660 4.507 3.978 4.743 0.083 14 0 "[ . 1 . 2]" 1
863 1 60 ILE H 1 75 LEU H . . 3.880 2.854 2.489 3.540 . 0 0 "[ . 1 . 2]" 1
864 1 60 ILE H 1 75 LEU HA . . 5.400 4.767 4.542 5.188 . 0 0 "[ . 1 . 2]" 1
865 1 60 ILE H 1 75 LEU HB3 . . 4.740 4.363 4.005 4.761 0.021 4 0 "[ . 1 . 2]" 1
866 1 60 ILE H 1 76 ASP HA . . 5.140 4.305 3.893 4.928 . 0 0 "[ . 1 . 2]" 1
867 1 60 ILE HA 1 60 ILE MD . . 4.150 3.917 3.785 4.089 . 0 0 "[ . 1 . 2]" 1
868 1 60 ILE HA 1 60 ILE HG13 . . 3.750 3.175 2.813 3.594 . 0 0 "[ . 1 . 2]" 1
869 1 60 ILE HA 1 60 ILE MG . . 3.110 2.344 2.149 2.574 . 0 0 "[ . 1 . 2]" 1
870 1 60 ILE HA 1 61 TYR H . . 2.820 2.175 2.071 2.376 . 0 0 "[ . 1 . 2]" 1
871 1 60 ILE HB 1 60 ILE MD . . 3.230 2.395 2.294 2.515 . 0 0 "[ . 1 . 2]" 1
872 1 60 ILE HB 1 61 TYR H . . 5.040 4.131 3.390 4.512 . 0 0 "[ . 1 . 2]" 1
873 1 60 ILE HB 1 62 ILE MD . . 4.800 3.268 2.411 3.863 . 0 0 "[ . 1 . 2]" 1
874 1 60 ILE HB 1 75 LEU H . . 4.090 3.313 2.664 3.548 . 0 0 "[ . 1 . 2]" 1
875 1 60 ILE HB 1 75 LEU HB3 . . 4.130 3.812 3.430 4.184 0.054 15 0 "[ . 1 . 2]" 1
876 1 60 ILE MD 1 60 ILE MG . . 3.340 2.077 1.979 2.160 . 0 0 "[ . 1 . 2]" 1
877 1 60 ILE MD 1 61 TYR H . . 5.240 5.233 4.688 5.347 0.107 3 0 "[ . 1 . 2]" 1
878 1 60 ILE MD 1 75 LEU H . . 5.170 4.927 4.117 5.266 0.096 13 0 "[ . 1 . 2]" 1
879 1 60 ILE MD 1 77 CYS HB3 . . 5.050 3.780 3.196 4.339 . 0 0 "[ . 1 . 2]" 1
880 1 60 ILE MD 1 84 LEU QD . . 3.850 3.199 2.730 3.571 . 0 0 "[ . 1 . 2]" 1
881 1 60 ILE HG13 1 61 TYR H . . 5.160 5.141 4.887 5.374 0.214 15 0 "[ . 1 . 2]" 1
882 1 60 ILE MG 1 61 TYR H . . 3.440 2.730 1.854 3.331 . 0 0 "[ . 1 . 2]" 1
883 1 60 ILE MG 1 62 ILE H . . 5.100 4.103 3.698 4.572 . 0 0 "[ . 1 . 2]" 1
884 1 60 ILE MG 1 62 ILE MD . . 3.300 1.961 1.865 2.193 . 0 0 "[ . 1 . 2]" 1
885 1 60 ILE MG 1 74 TYR HA . . 5.500 4.897 4.434 5.344 . 0 0 "[ . 1 . 2]" 1
886 1 60 ILE MG 1 75 LEU H . . 5.000 4.315 3.741 4.726 . 0 0 "[ . 1 . 2]" 1
887 1 61 TYR H 1 61 TYR HB3 . . 3.530 2.472 2.361 2.653 . 0 0 "[ . 1 . 2]" 1
888 1 61 TYR H 1 61 TYR QD . . 4.740 4.267 4.192 4.352 . 0 0 "[ . 1 . 2]" 1
889 1 61 TYR H 1 62 ILE H . . 5.060 4.312 3.975 4.486 . 0 0 "[ . 1 . 2]" 1
890 1 61 TYR H 1 74 TYR QD . . 5.460 4.272 3.781 5.059 . 0 0 "[ . 1 . 2]" 1
891 1 61 TYR H 1 74 TYR QE . . 5.460 4.892 4.156 5.518 0.058 20 0 "[ . 1 . 2]" 1
892 1 61 TYR HA 1 61 TYR QD . . 3.120 2.371 2.164 3.027 . 0 0 "[ . 1 . 2]" 1
893 1 61 TYR HA 1 62 ILE H . . 2.860 2.214 2.145 2.319 . 0 0 "[ . 1 . 2]" 1
894 1 61 TYR HA 1 74 TYR HA . . 3.300 2.323 2.147 2.507 . 0 0 "[ . 1 . 2]" 1
895 1 61 TYR HA 1 74 TYR QD . . 3.730 3.410 3.124 3.762 0.032 16 0 "[ . 1 . 2]" 1
896 1 61 TYR HA 1 74 TYR QE . . 4.730 4.262 3.988 4.772 0.042 7 0 "[ . 1 . 2]" 1
897 1 61 TYR HA 1 75 LEU H . . 4.010 3.814 3.630 4.038 0.028 1 0 "[ . 1 . 2]" 1
898 1 61 TYR HB3 1 62 ILE H . . 4.690 4.379 4.290 4.528 . 0 0 "[ . 1 . 2]" 1
899 1 61 TYR HB3 1 74 TYR QD . . 5.210 4.540 4.295 5.067 . 0 0 "[ . 1 . 2]" 1
900 1 61 TYR HB3 1 74 TYR QE . . 3.930 4.055 3.957 4.504 0.574 7 1 "[ . + 1 . 2]" 1
901 1 61 TYR QD 1 62 ILE H . . 3.690 3.364 2.854 3.784 0.094 4 0 "[ . 1 . 2]" 1
902 1 61 TYR QD 1 63 TYR QD . . 3.440 2.976 2.433 3.524 0.084 16 0 "[ . 1 . 2]" 1
903 1 61 TYR QD 1 73 TYR H . . 5.460 3.971 3.383 4.771 . 0 0 "[ . 1 . 2]" 1
904 1 61 TYR QD 1 74 TYR QD . . 4.210 3.214 3.027 3.364 . 0 0 "[ . 1 . 2]" 1
905 1 61 TYR QD 1 74 TYR QE . . 3.560 3.163 2.930 3.372 . 0 0 "[ . 1 . 2]" 1
906 1 61 TYR QE 1 62 ILE H . . 5.140 4.783 4.370 5.132 . 0 0 "[ . 1 . 2]" 1
907 1 61 TYR QE 1 63 TYR HB3 . . 3.960 2.934 2.207 3.301 . 0 0 "[ . 1 . 2]" 1
908 1 61 TYR QE 1 63 TYR QD . . 4.170 3.552 3.106 4.252 0.082 10 0 "[ . 1 . 2]" 1
909 1 61 TYR QE 1 72 PRO HB3 . . 3.470 3.888 3.505 4.220 0.750 15 6 "[ * ** 1 +* -2]" 1
910 1 61 TYR QE 1 73 TYR H . . 4.710 4.073 3.369 4.804 0.094 15 0 "[ . 1 . 2]" 1
911 1 62 ILE H 1 62 ILE HB . . 3.180 2.567 2.478 2.688 . 0 0 "[ . 1 . 2]" 1
912 1 62 ILE H 1 62 ILE MD . . 5.090 3.340 2.981 3.660 . 0 0 "[ . 1 . 2]" 1
913 1 62 ILE H 1 62 ILE HG13 . . 3.860 3.898 3.776 3.943 0.083 14 0 "[ . 1 . 2]" 1
914 1 62 ILE H 1 62 ILE MG . . 4.800 3.833 3.795 3.870 . 0 0 "[ . 1 . 2]" 1
915 1 62 ILE H 1 73 TYR H . . 4.010 2.914 2.606 3.094 . 0 0 "[ . 1 . 2]" 1
916 1 62 ILE H 1 74 TYR HA . . 4.160 3.340 3.157 3.668 . 0 0 "[ . 1 . 2]" 1
917 1 62 ILE H 1 75 LEU H . . 5.300 4.574 3.832 5.138 . 0 0 "[ . 1 . 2]" 1
918 1 62 ILE HA 1 62 ILE MD . . 3.320 2.308 2.197 2.397 . 0 0 "[ . 1 . 2]" 1
919 1 62 ILE HA 1 62 ILE HG13 . . 4.070 3.881 3.845 3.923 . 0 0 "[ . 1 . 2]" 1
920 1 62 ILE HA 1 62 ILE MG . . 3.400 2.352 2.245 2.409 . 0 0 "[ . 1 . 2]" 1
921 1 62 ILE HA 1 63 TYR H . . 2.850 2.310 2.250 2.435 . 0 0 "[ . 1 . 2]" 1
922 1 62 ILE HA 1 63 TYR HA . . 4.530 4.535 4.489 4.574 0.044 4 0 "[ . 1 . 2]" 1
923 1 62 ILE HA 1 63 TYR QD . . 3.810 3.178 2.854 3.464 . 0 0 "[ . 1 . 2]" 1
924 1 62 ILE HB 1 63 TYR H . . 5.500 4.025 3.802 4.184 . 0 0 "[ . 1 . 2]" 1
925 1 62 ILE HB 1 72 PRO HA . . 4.220 3.660 2.954 4.066 . 0 0 "[ . 1 . 2]" 1
926 1 62 ILE HB 1 73 TYR H . . 3.880 2.914 2.614 3.410 . 0 0 "[ . 1 . 2]" 1
927 1 62 ILE HB 1 73 TYR QD . . 4.720 3.652 3.329 4.135 . 0 0 "[ . 1 . 2]" 1
928 1 62 ILE HB 1 73 TYR QE . . 4.400 3.448 2.721 4.005 . 0 0 "[ . 1 . 2]" 1
929 1 62 ILE HB 1 75 LEU HG . . 5.310 4.478 3.872 5.304 . 0 0 "[ . 1 . 2]" 1
930 1 62 ILE MD 1 62 ILE MG . . 3.210 2.179 2.117 2.267 . 0 0 "[ . 1 . 2]" 1
931 1 62 ILE MD 1 63 TYR H . . 4.070 4.109 4.007 4.164 0.094 18 0 "[ . 1 . 2]" 1
932 1 62 ILE MD 1 73 TYR QE . . 4.470 3.939 3.627 4.555 0.085 5 0 "[ . 1 . 2]" 1
933 1 62 ILE MD 1 75 LEU MD1 . . 3.680 2.468 2.096 2.930 . 0 0 "[ . 1 . 2]" 1
934 1 62 ILE MD 1 75 LEU MD2 . . 4.820 4.584 4.237 4.919 0.099 15 0 "[ . 1 . 2]" 1
935 1 62 ILE MD 1 75 LEU HG . . 4.200 3.764 3.409 4.137 . 0 0 "[ . 1 . 2]" 1
936 1 62 ILE HG13 1 73 TYR QE . . 5.500 2.536 2.169 3.175 . 0 0 "[ . 1 . 2]" 1
937 1 62 ILE HG13 1 75 LEU HG . . 4.570 3.374 2.998 3.950 . 0 0 "[ . 1 . 2]" 1
938 1 62 ILE MG 1 63 TYR H . . 3.640 2.601 2.380 2.811 . 0 0 "[ . 1 . 2]" 1
939 1 62 ILE MG 1 63 TYR HA . . 5.360 3.647 3.466 3.849 . 0 0 "[ . 1 . 2]" 1
940 1 62 ILE MG 1 63 TYR QD . . 4.570 4.491 4.303 4.660 0.090 2 0 "[ . 1 . 2]" 1
941 1 62 ILE MG 1 65 VAL H . . 5.500 4.838 4.589 5.121 . 0 0 "[ . 1 . 2]" 1
942 1 62 ILE MG 1 65 VAL HB . . 5.500 4.276 2.961 4.710 . 0 0 "[ . 1 . 2]" 1
943 1 62 ILE MG 1 65 VAL QG . . 3.130 2.255 2.040 3.107 . 0 0 "[ . 1 . 2]" 1
944 1 62 ILE MG 1 73 TYR H . . 5.060 4.156 3.886 4.465 . 0 0 "[ . 1 . 2]" 1
945 1 62 ILE MG 1 73 TYR QD . . 5.500 4.457 4.170 4.868 . 0 0 "[ . 1 . 2]" 1
946 1 62 ILE MG 1 73 TYR QE . . 3.930 3.500 3.234 4.041 0.111 20 0 "[ . 1 . 2]" 1
947 1 63 TYR H 1 63 TYR QD . . 3.100 2.718 2.335 3.117 0.017 14 0 "[ . 1 . 2]" 1
948 1 63 TYR H 1 63 TYR QE . . 4.680 4.297 4.070 4.550 . 0 0 "[ . 1 . 2]" 1
949 1 63 TYR HA 1 64 ASP H . . 3.360 3.363 3.240 3.439 0.079 7 0 "[ . 1 . 2]" 1
950 1 63 TYR HA 1 72 PRO HG3 . . 4.250 4.255 3.809 4.317 0.067 12 0 "[ . 1 . 2]" 1
951 1 63 TYR HA 1 73 TYR H . . 5.140 4.091 3.772 4.658 . 0 0 "[ . 1 . 2]" 1
952 1 63 TYR HB3 1 72 PRO HA . . 4.910 4.013 3.669 4.283 . 0 0 "[ . 1 . 2]" 1
953 1 63 TYR HB3 1 72 PRO HB3 . . 4.950 2.739 2.431 3.031 . 0 0 "[ . 1 . 2]" 1
954 1 63 TYR QD 1 64 ASP H . . 4.350 3.934 3.575 4.123 . 0 0 "[ . 1 . 2]" 1
955 1 63 TYR QD 1 64 ASP HB3 . . 4.930 4.313 3.132 4.841 . 0 0 "[ . 1 . 2]" 1
956 1 63 TYR QE 1 64 ASP HB3 . . 5.500 4.374 3.670 5.026 . 0 0 "[ . 1 . 2]" 1
957 1 64 ASP H 1 65 VAL H . . 3.730 3.808 3.775 3.826 0.096 18 0 "[ . 1 . 2]" 1
958 1 64 ASP H 1 65 VAL QG . . 5.500 3.132 2.733 4.120 . 0 0 "[ . 1 . 2]" 1
959 1 64 ASP HA 1 65 VAL H . . 3.270 2.177 2.080 2.293 . 0 0 "[ . 1 . 2]" 1
960 1 64 ASP HA 1 65 VAL QG . . 5.060 3.618 3.433 3.953 . 0 0 "[ . 1 . 2]" 1
961 1 65 VAL H 1 65 VAL HB . . 3.140 2.877 2.679 3.175 0.035 19 0 "[ . 1 . 2]" 1
962 1 65 VAL H 1 65 VAL QG . . 3.000 2.695 2.255 2.932 . 0 0 "[ . 1 . 2]" 1
963 1 65 VAL H 1 66 TYR H . . 5.500 4.367 4.262 4.481 . 0 0 "[ . 1 . 2]" 1
964 1 65 VAL H 1 70 LYS H . . 4.060 3.690 3.257 4.106 0.046 8 0 "[ . 1 . 2]" 1
965 1 65 VAL HA 1 65 VAL QG . . 3.240 2.207 2.154 2.439 . 0 0 "[ . 1 . 2]" 1
966 1 65 VAL HA 1 66 TYR H . . 2.930 2.282 2.136 2.392 . 0 0 "[ . 1 . 2]" 1
967 1 65 VAL HA 1 66 TYR HB3 . . 5.480 4.039 3.798 4.167 . 0 0 "[ . 1 . 2]" 1
968 1 65 VAL HB 1 66 TYR H . . 4.550 3.884 3.710 4.084 . 0 0 "[ . 1 . 2]" 1
969 1 65 VAL HB 1 69 GLU HA . . 3.900 2.578 2.074 3.998 0.098 20 0 "[ . 1 . 2]" 1
970 1 65 VAL HB 1 70 LYS H . . 3.250 2.571 1.954 3.371 0.121 18 0 "[ . 1 . 2]" 1
971 1 65 VAL QG 1 66 TYR H . . 3.400 2.295 2.064 2.526 . 0 0 "[ . 1 . 2]" 1
972 1 65 VAL QG 1 66 TYR HA . . 4.350 3.591 3.272 3.694 . 0 0 "[ . 1 . 2]" 1
973 1 65 VAL QG 1 67 PRO HD3 . . 5.460 5.227 4.847 5.442 . 0 0 "[ . 1 . 2]" 1
974 1 65 VAL QG 1 68 ASP H . . 4.740 3.730 3.332 4.365 . 0 0 "[ . 1 . 2]" 1
975 1 65 VAL QG 1 69 GLU H . . 5.500 4.747 3.739 5.234 . 0 0 "[ . 1 . 2]" 1
976 1 65 VAL QG 1 69 GLU HA . . 4.470 3.038 1.831 3.657 . 0 0 "[ . 1 . 2]" 1
977 1 65 VAL QG 1 70 LYS H . . 4.100 2.688 1.433 3.181 . 0 0 "[ . 1 . 2]" 1
978 1 65 VAL QG 1 70 LYS HB3 . . 3.730 4.039 3.508 4.843 1.113 5 6 "[ * + * 1 * - * 2]" 1
979 1 66 TYR H 1 66 TYR HB3 . . 3.910 2.774 2.593 2.924 . 0 0 "[ . 1 . 2]" 1
980 1 66 TYR H 1 66 TYR QD . . 3.880 2.940 2.706 3.266 . 0 0 "[ . 1 . 2]" 1
981 1 66 TYR H 1 67 PRO HA . . 5.430 4.777 4.726 4.848 . 0 0 "[ . 1 . 2]" 1
982 1 66 TYR HA 1 66 TYR QD . . 3.780 3.584 3.478 3.671 . 0 0 "[ . 1 . 2]" 1
983 1 66 TYR HA 1 67 PRO HA . . 2.780 2.450 2.328 2.631 . 0 0 "[ . 1 . 2]" 1
984 1 66 TYR HA 1 67 PRO HB3 . . 4.620 4.593 4.494 4.662 0.042 20 0 "[ . 1 . 2]" 1
985 1 66 TYR HA 1 69 GLU HA . . 4.030 3.926 3.600 4.107 0.077 20 0 "[ . 1 . 2]" 1
986 1 66 TYR HB3 1 67 PRO HA . . 3.420 3.888 3.774 4.028 0.608 4 6 "[ +.* 1 * -** 2]" 1
987 1 66 TYR QD 1 67 PRO HA . . 3.140 2.289 2.037 2.546 . 0 0 "[ . 1 . 2]" 1
988 1 66 TYR QD 1 67 PRO HD3 . . 3.870 3.744 3.474 3.942 0.072 20 0 "[ . 1 . 2]" 1
989 1 66 TYR QD 1 68 ASP H . . 5.500 5.107 4.964 5.346 . 0 0 "[ . 1 . 2]" 1
990 1 66 TYR QE 1 67 PRO HA . . 3.900 3.945 3.836 3.995 0.095 13 0 "[ . 1 . 2]" 1
991 1 66 TYR QE 1 67 PRO HD3 . . 4.570 3.653 3.256 4.134 . 0 0 "[ . 1 . 2]" 1
992 1 67 PRO HA 1 68 ASP HA . . 4.610 4.656 4.562 4.693 0.083 19 0 "[ . 1 . 2]" 1
993 1 67 PRO HB3 1 68 ASP H . . 3.910 4.357 4.059 4.414 0.504 15 2 "[ . - 1 + 2]" 1
994 1 67 PRO HD3 1 68 ASP H . . 4.400 3.903 3.708 4.050 . 0 0 "[ . 1 . 2]" 1
995 1 67 PRO HG3 1 68 ASP H . . 4.170 4.161 3.671 4.251 0.081 11 0 "[ . 1 . 2]" 1
996 1 68 ASP HA 1 69 GLU H . . 2.560 2.179 2.032 2.262 . 0 0 "[ . 1 . 2]" 1
997 1 68 ASP HA 1 69 GLU HG3 . . 4.940 4.521 3.895 5.167 0.227 16 0 "[ . 1 . 2]" 1
998 1 69 GLU H 1 69 GLU HG3 . . 3.780 2.671 2.286 3.384 . 0 0 "[ . 1 . 2]" 1
999 1 69 GLU H 1 70 LYS H . . 4.550 4.582 4.473 4.628 0.078 6 0 "[ . 1 . 2]" 1
1000 1 69 GLU HA 1 69 GLU HG3 . . 3.820 3.549 2.629 3.827 0.007 1 0 "[ . 1 . 2]" 1
1001 1 69 GLU HA 1 70 LYS H . . 2.590 2.249 2.071 2.404 . 0 0 "[ . 1 . 2]" 1
1002 1 69 GLU HA 1 70 LYS HB3 . . 5.010 5.701 5.481 5.874 0.864 19 18 "[- ************* **+*]" 1
1003 1 70 LYS H 1 70 LYS HB3 . . 3.600 3.798 3.656 3.890 0.290 13 0 "[ . 1 . 2]" 1
1004 1 70 LYS H 1 70 LYS HG3 . . 3.390 3.243 2.626 3.474 0.084 6 0 "[ . 1 . 2]" 1
1005 1 70 LYS H 1 71 THR H . . 4.460 4.444 4.351 4.538 0.078 19 0 "[ . 1 . 2]" 1
1006 1 70 LYS HA 1 71 THR H . . 2.640 2.390 2.247 2.634 . 0 0 "[ . 1 . 2]" 1
1007 1 70 LYS HA 1 71 THR MG . . 4.400 4.251 3.921 4.482 0.082 19 0 "[ . 1 . 2]" 1
1008 1 70 LYS HB3 1 71 THR H . . 4.140 2.497 2.175 3.034 . 0 0 "[ . 1 . 2]" 1
1009 1 70 LYS HB3 1 73 TYR QE . . 4.760 3.282 2.477 3.750 . 0 0 "[ . 1 . 2]" 1
1010 1 70 LYS HD3 1 73 TYR QE . . 4.010 4.017 3.218 5.691 1.681 15 2 "[ . 1 - + 2]" 1
1011 1 71 THR H 1 71 THR HB . . 2.950 2.276 2.027 2.593 . 0 0 "[ . 1 . 2]" 1
1012 1 71 THR H 1 71 THR MG . . 3.600 2.262 1.976 2.669 . 0 0 "[ . 1 . 2]" 1
1013 1 71 THR H 1 72 PRO HD3 . . 5.170 5.164 5.019 5.268 0.098 5 0 "[ . 1 . 2]" 1
1014 1 71 THR H 1 73 TYR QD . . 5.500 4.756 4.252 5.155 . 0 0 "[ . 1 . 2]" 1
1015 1 71 THR HA 1 71 THR MG . . 3.090 3.202 3.195 3.207 0.117 16 0 "[ . 1 . 2]" 1
1016 1 71 THR HA 1 72 PRO HD3 . . 3.040 2.575 2.440 2.693 . 0 0 "[ . 1 . 2]" 1
1017 1 71 THR HB 1 72 PRO HD3 . . 4.070 4.910 4.741 5.166 1.096 11 20 [**********+*-*******] 1
1018 1 71 THR MG 1 72 PRO HD3 . . 3.720 4.613 4.422 4.768 1.048 13 20 [************+*****-*] 1
1019 1 72 PRO HA 1 73 TYR H . . 2.960 2.303 2.242 2.365 . 0 0 "[ . 1 . 2]" 1
1020 1 72 PRO HA 1 73 TYR QD . . 3.920 3.950 3.750 4.011 0.091 6 0 "[ . 1 . 2]" 1
1021 1 72 PRO HB3 1 73 TYR H . . 4.450 3.768 3.457 4.012 . 0 0 "[ . 1 . 2]" 1
1022 1 73 TYR H 1 73 TYR QD . . 3.470 3.471 3.384 3.552 0.082 20 0 "[ . 1 . 2]" 1
1023 1 73 TYR H 1 73 TYR QE . . 5.110 4.620 4.391 4.853 . 0 0 "[ . 1 . 2]" 1
1024 1 73 TYR H 1 74 TYR HA . . 5.500 4.624 4.464 4.739 . 0 0 "[ . 1 . 2]" 1
1025 1 73 TYR HA 1 73 TYR QD . . 3.870 3.764 3.731 3.780 . 0 0 "[ . 1 . 2]" 1
1026 1 73 TYR HA 1 74 TYR H . . 3.040 2.459 2.203 2.610 . 0 0 "[ . 1 . 2]" 1
1027 1 73 TYR HA 1 74 TYR QD . . 3.920 3.477 2.914 4.006 0.086 4 0 "[ . 1 . 2]" 1
1028 1 73 TYR HB3 1 74 TYR H . . 3.550 3.601 3.501 3.630 0.080 7 0 "[ . 1 . 2]" 1
1029 1 73 TYR QD 1 74 TYR H . . 3.800 3.494 3.093 3.884 0.084 4 0 "[ . 1 . 2]" 1
1030 1 73 TYR QD 1 75 LEU MD2 . . 3.330 2.653 2.284 3.059 . 0 0 "[ . 1 . 2]" 1
1031 1 73 TYR QD 1 75 LEU HG . . 4.290 2.412 2.101 2.858 . 0 0 "[ . 1 . 2]" 1
1032 1 73 TYR QE 1 75 LEU MD2 . . 2.670 2.304 2.036 2.784 0.114 15 0 "[ . 1 . 2]" 1
1033 1 73 TYR QE 1 75 LEU HG . . 4.500 2.480 2.156 3.072 . 0 0 "[ . 1 . 2]" 1
1034 1 74 TYR H 1 74 TYR HB3 . . 4.090 3.709 3.614 3.795 . 0 0 "[ . 1 . 2]" 1
1035 1 74 TYR H 1 74 TYR QD . . 3.220 2.744 2.430 3.142 . 0 0 "[ . 1 . 2]" 1
1036 1 74 TYR H 1 74 TYR QE . . 5.460 4.902 4.552 5.394 . 0 0 "[ . 1 . 2]" 1
1037 1 74 TYR H 1 75 LEU H . . 5.030 4.420 4.054 4.554 . 0 0 "[ . 1 . 2]" 1
1038 1 74 TYR HA 1 74 TYR QD . . 3.430 3.079 2.849 3.202 . 0 0 "[ . 1 . 2]" 1
1039 1 74 TYR HA 1 75 LEU H . . 2.880 2.256 2.155 2.383 . 0 0 "[ . 1 . 2]" 1
1040 1 74 TYR HA 1 75 LEU HG . . 4.810 4.013 3.712 4.391 . 0 0 "[ . 1 . 2]" 1
1041 1 74 TYR HB3 1 75 LEU H . . 4.120 2.965 2.564 3.814 . 0 0 "[ . 1 . 2]" 1
1042 1 74 TYR QD 1 75 LEU H . . 4.830 4.034 3.355 4.709 . 0 0 "[ . 1 . 2]" 1
1043 1 75 LEU H 1 75 LEU HB3 . . 4.130 3.701 3.590 3.831 . 0 0 "[ . 1 . 2]" 1
1044 1 75 LEU H 1 75 LEU MD1 . . 4.530 4.024 3.660 4.335 . 0 0 "[ . 1 . 2]" 1
1045 1 75 LEU H 1 75 LEU MD2 . . 4.520 3.885 3.524 4.186 . 0 0 "[ . 1 . 2]" 1
1046 1 75 LEU H 1 75 LEU HG . . 3.890 3.055 2.604 3.518 . 0 0 "[ . 1 . 2]" 1
1047 1 75 LEU H 1 76 ASP H . . 5.030 4.293 4.066 4.511 . 0 0 "[ . 1 . 2]" 1
1048 1 75 LEU HA 1 75 LEU MD1 . . 4.240 3.866 3.780 3.967 . 0 0 "[ . 1 . 2]" 1
1049 1 75 LEU HA 1 75 LEU MD2 . . 3.000 2.147 2.077 2.313 . 0 0 "[ . 1 . 2]" 1
1050 1 75 LEU HA 1 75 LEU HG . . 4.130 3.110 2.951 3.229 . 0 0 "[ . 1 . 2]" 1
1051 1 75 LEU HA 1 76 ASP H . . 2.760 2.112 2.038 2.248 . 0 0 "[ . 1 . 2]" 1
1052 1 75 LEU HB3 1 76 ASP H . . 3.900 3.378 2.937 3.689 . 0 0 "[ . 1 . 2]" 1
1053 1 75 LEU MD1 1 76 ASP H . . 5.500 5.074 4.695 5.323 . 0 0 "[ . 1 . 2]" 1
1054 1 75 LEU MD1 1 89 GLY HA3 . . 5.500 3.041 2.399 3.821 . 0 0 "[ . 1 . 2]" 1
1055 1 75 LEU MD1 1 91 GLU H . . 5.320 3.951 3.476 4.454 . 0 0 "[ . 1 . 2]" 1
1056 1 75 LEU MD1 1 91 GLU HB3 . . 5.420 5.179 4.352 5.500 0.080 13 0 "[ . 1 . 2]" 1
1057 1 75 LEU MD1 1 91 GLU HG3 . . 5.490 5.195 4.506 5.594 0.104 13 0 "[ . 1 . 2]" 1
1058 1 75 LEU MD2 1 76 ASP H . . 3.910 3.574 3.281 3.909 . 0 0 "[ . 1 . 2]" 1
1059 1 75 LEU MD2 1 88 THR H . . 5.230 4.079 3.817 4.362 . 0 0 "[ . 1 . 2]" 1
1060 1 75 LEU MD2 1 88 THR HB . . 4.850 4.777 4.512 4.951 0.101 15 0 "[ . 1 . 2]" 1
1061 1 75 LEU MD2 1 88 THR MG . . 3.730 2.351 2.001 2.717 . 0 0 "[ . 1 . 2]" 1
1062 1 75 LEU MD2 1 89 GLY H . . 5.490 3.523 3.041 4.109 . 0 0 "[ . 1 . 2]" 1
1063 1 75 LEU MD2 1 89 GLY HA2 . . 4.200 2.727 2.242 3.774 . 0 0 "[ . 1 . 2]" 1
1064 1 75 LEU MD2 1 89 GLY HA3 . . 3.460 2.171 1.970 2.632 . 0 0 "[ . 1 . 2]" 1
1065 1 75 LEU MD2 1 90 SER H . . 5.210 3.738 3.454 4.334 . 0 0 "[ . 1 . 2]" 1
1066 1 75 LEU MD2 1 91 GLU H . . 4.400 4.401 3.989 4.510 0.110 13 0 "[ . 1 . 2]" 1
1067 1 76 ASP H 1 76 ASP HB3 . . 3.740 3.480 2.947 3.626 . 0 0 "[ . 1 . 2]" 1
1068 1 76 ASP H 1 77 CYS H . . 4.730 4.513 4.386 4.621 . 0 0 "[ . 1 . 2]" 1
1069 1 76 ASP H 1 77 CYS HA . . 5.500 5.497 5.291 5.579 0.079 19 0 "[ . 1 . 2]" 1
1070 1 76 ASP H 1 86 VAL MG1 . . 4.520 4.523 4.316 4.617 0.097 10 0 "[ . 1 . 2]" 1
1071 1 76 ASP H 1 87 GLU H . . 5.060 4.723 4.488 4.899 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ASP H 1 88 THR H . . 4.290 3.896 3.425 4.342 0.052 11 0 "[ . 1 . 2]" 1
1073 1 76 ASP H 1 88 THR HB . . 4.620 4.438 4.100 4.673 0.053 6 0 "[ . 1 . 2]" 1
1074 1 76 ASP H 1 88 THR MG . . 4.020 1.978 1.710 2.213 . 0 0 "[ . 1 . 2]" 1
1075 1 76 ASP HA 1 77 CYS H . . 2.690 2.205 2.100 2.273 . 0 0 "[ . 1 . 2]" 1
1076 1 76 ASP HA 1 88 THR MG . . 5.100 4.097 3.845 4.319 . 0 0 "[ . 1 . 2]" 1
1077 1 76 ASP HB3 1 77 CYS H . . 3.580 3.517 3.139 3.887 0.307 19 0 "[ . 1 . 2]" 1
1078 1 76 ASP HB3 1 87 GLU H . . 4.630 4.460 3.963 5.279 0.649 14 4 "[ * . * 1 +. -2]" 1
1079 1 76 ASP HB3 1 88 THR H . . 4.940 5.023 4.569 5.331 0.391 3 0 "[ . 1 . 2]" 1
1080 1 76 ASP HB3 1 88 THR MG . . 4.220 3.708 3.477 3.945 . 0 0 "[ . 1 . 2]" 1
1081 1 77 CYS H 1 78 LYS HA . . 5.500 4.619 4.425 4.736 . 0 0 "[ . 1 . 2]" 1
1082 1 77 CYS H 1 86 VAL HA . . 5.190 4.788 4.530 4.944 . 0 0 "[ . 1 . 2]" 1
1083 1 77 CYS H 1 87 GLU H . . 5.000 4.477 4.193 4.690 . 0 0 "[ . 1 . 2]" 1
1084 1 77 CYS H 1 87 GLU HG3 . . 4.910 4.323 3.477 4.978 0.068 3 0 "[ . 1 . 2]" 1
1085 1 77 CYS HA 1 78 LYS H . . 2.670 2.321 2.178 2.499 . 0 0 "[ . 1 . 2]" 1
1086 1 77 CYS HA 1 78 LYS HA . . 4.640 4.485 4.389 4.543 . 0 0 "[ . 1 . 2]" 1
1087 1 77 CYS HA 1 84 LEU QD . . 4.900 4.132 3.769 4.519 . 0 0 "[ . 1 . 2]" 1
1088 1 77 CYS HA 1 86 VAL H . . 5.160 4.822 4.603 5.046 . 0 0 "[ . 1 . 2]" 1
1089 1 77 CYS HA 1 86 VAL HA . . 3.070 2.331 2.007 2.508 . 0 0 "[ . 1 . 2]" 1
1090 1 77 CYS HA 1 86 VAL MG1 . . 4.250 3.752 3.340 4.046 . 0 0 "[ . 1 . 2]" 1
1091 1 77 CYS HA 1 86 VAL MG2 . . 4.390 4.081 3.847 4.417 0.027 20 0 "[ . 1 . 2]" 1
1092 1 77 CYS HA 1 87 GLU H . . 3.460 2.489 2.136 2.707 . 0 0 "[ . 1 . 2]" 1
1093 1 77 CYS HA 1 87 GLU HG3 . . 4.130 2.786 2.229 4.148 0.018 8 0 "[ . 1 . 2]" 1
1094 1 77 CYS HA 1 88 THR H . . 5.500 4.693 4.350 4.975 . 0 0 "[ . 1 . 2]" 1
1095 1 77 CYS HB3 1 78 LYS H . . 3.130 3.438 2.552 3.595 0.465 3 0 "[ . 1 . 2]" 1
1096 1 77 CYS HB3 1 84 LEU QD . . 3.540 3.010 2.229 3.487 . 0 0 "[ . 1 . 2]" 1
1097 1 77 CYS HB3 1 84 LEU HG . . 5.040 5.240 3.904 5.581 0.541 7 8 "[ * * +*-* * . *2]" 1
1098 1 77 CYS HB3 1 85 LYS H . . 5.070 5.018 3.740 5.470 0.400 1 0 "[ . 1 . 2]" 1
1099 1 77 CYS HB3 1 86 VAL HA . . 3.800 2.056 1.927 2.316 . 0 0 "[ . 1 . 2]" 1
1100 1 77 CYS HB3 1 86 VAL MG2 . . 3.790 2.409 2.064 2.882 . 0 0 "[ . 1 . 2]" 1
1101 1 77 CYS HB3 1 87 GLU H . . 5.420 3.394 3.015 4.004 . 0 0 "[ . 1 . 2]" 1
1102 1 78 LYS H 1 78 LYS HB3 . . 3.680 3.816 3.679 3.950 0.270 5 0 "[ . 1 . 2]" 1
1103 1 78 LYS H 1 78 LYS HD3 . . 5.190 3.914 2.616 5.139 . 0 0 "[ . 1 . 2]" 1
1104 1 78 LYS H 1 78 LYS HG3 . . 4.430 3.442 2.844 4.072 . 0 0 "[ . 1 . 2]" 1
1105 1 78 LYS H 1 84 LEU QD . . 4.090 3.342 3.009 3.636 . 0 0 "[ . 1 . 2]" 1
1106 1 78 LYS H 1 85 LYS H . . 3.630 3.147 2.883 3.433 . 0 0 "[ . 1 . 2]" 1
1107 1 78 LYS H 1 85 LYS HB3 . . 3.870 3.000 2.854 3.141 . 0 0 "[ . 1 . 2]" 1
1108 1 78 LYS H 1 85 LYS HG3 . . 5.120 4.991 4.480 5.194 0.074 15 0 "[ . 1 . 2]" 1
1109 1 78 LYS H 1 86 VAL HA . . 3.940 3.483 3.177 3.699 . 0 0 "[ . 1 . 2]" 1
1110 1 78 LYS H 1 87 GLU H . . 4.400 4.459 4.334 4.490 0.090 11 0 "[ . 1 . 2]" 1
1111 1 78 LYS HA 1 78 LYS HD3 . . 4.290 4.422 3.892 4.911 0.621 6 3 "[ -+ 1* . 2]" 1
1112 1 78 LYS HA 1 78 LYS HG3 . . 3.880 2.692 2.338 3.944 0.064 4 0 "[ . 1 . 2]" 1
1113 1 78 LYS HA 1 79 ILE H . . 2.820 2.435 2.373 2.506 . 0 0 "[ . 1 . 2]" 1
1114 1 78 LYS HA 1 84 LEU QD . . 5.390 4.648 4.410 4.925 . 0 0 "[ . 1 . 2]" 1
1115 1 78 LYS HA 1 85 LYS HB3 . . 4.740 4.801 4.724 4.825 0.085 16 0 "[ . 1 . 2]" 1
1116 1 78 LYS HB3 1 79 ILE H . . 4.440 2.553 2.243 2.951 . 0 0 "[ . 1 . 2]" 1
1117 1 78 LYS HB3 1 85 LYS HB3 . . 3.840 3.966 3.680 4.393 0.553 5 1 "[ + 1 . 2]" 1
1118 1 79 ILE H 1 79 ILE HB . . 3.800 3.154 3.068 3.282 . 0 0 "[ . 1 . 2]" 1
1119 1 79 ILE H 1 79 ILE MG . . 3.120 2.434 2.292 2.569 . 0 0 "[ . 1 . 2]" 1
1120 1 79 ILE H 1 84 LEU QD . . 5.500 4.872 4.670 5.089 . 0 0 "[ . 1 . 2]" 1
1121 1 79 ILE HA 1 79 ILE MD . . 4.330 3.731 3.535 3.841 . 0 0 "[ . 1 . 2]" 1
1122 1 79 ILE HA 1 79 ILE HG13 . . 3.360 2.351 2.171 2.541 . 0 0 "[ . 1 . 2]" 1
1123 1 79 ILE HA 1 80 SER H . . 2.890 2.285 2.184 2.334 . 0 0 "[ . 1 . 2]" 1
1124 1 79 ILE HA 1 83 THR H . . 5.480 4.882 4.468 5.262 . 0 0 "[ . 1 . 2]" 1
1125 1 79 ILE HA 1 84 LEU HA . . 3.120 2.907 2.439 3.191 0.071 14 0 "[ . 1 . 2]" 1
1126 1 79 ILE HA 1 84 LEU QD . . 4.020 3.706 3.443 3.874 . 0 0 "[ . 1 . 2]" 1
1127 1 79 ILE HA 1 85 LYS H . . 3.740 3.357 3.245 3.472 . 0 0 "[ . 1 . 2]" 1
1128 1 79 ILE HB 1 80 SER H . . 4.220 4.192 4.010 4.276 0.056 12 0 "[ . 1 . 2]" 1
1129 1 79 ILE HB 1 84 LEU HA . . 4.150 3.725 3.400 4.014 . 0 0 "[ . 1 . 2]" 1
1130 1 79 ILE HB 1 84 LEU QD . . 3.420 3.100 2.849 3.281 . 0 0 "[ . 1 . 2]" 1
1131 1 79 ILE MD 1 80 SER H . . 4.460 4.091 3.736 4.328 . 0 0 "[ . 1 . 2]" 1
1132 1 79 ILE MD 1 81 GLY HA2 . . 5.500 4.362 3.192 5.331 . 0 0 "[ . 1 . 2]" 1
1133 1 79 ILE MD 1 84 LEU HA . . 4.660 3.804 3.194 4.505 . 0 0 "[ . 1 . 2]" 1
1134 1 79 ILE MD 1 84 LEU QD . . 5.500 3.055 2.206 4.118 . 0 0 "[ . 1 . 2]" 1
1135 1 79 ILE HG13 1 80 SER H . . 3.720 3.020 2.734 3.451 . 0 0 "[ . 1 . 2]" 1
1136 1 79 ILE HG13 1 83 THR HB . . 5.310 5.357 5.120 5.395 0.085 1 0 "[ . 1 . 2]" 1
1137 1 79 ILE HG13 1 84 LEU HB3 . . 4.510 5.036 4.331 5.500 0.990 1 9 "[+- * ** * * *.* 2]" 1
1138 1 79 ILE HG13 1 84 LEU QD . . 3.910 3.335 3.008 3.625 . 0 0 "[ . 1 . 2]" 1
1139 1 79 ILE HG13 1 85 LYS H . . 4.760 4.315 3.779 4.762 0.002 6 0 "[ . 1 . 2]" 1
1140 1 79 ILE MG 1 80 SER H . . 4.990 3.534 3.291 3.745 . 0 0 "[ . 1 . 2]" 1
1141 1 79 ILE MG 1 81 GLY H . . 5.500 3.694 2.843 4.899 . 0 0 "[ . 1 . 2]" 1
1142 1 79 ILE MG 1 84 LEU QD . . 4.440 4.252 4.042 4.418 . 0 0 "[ . 1 . 2]" 1
1143 1 80 SER H 1 81 GLY H . . 5.500 2.223 1.862 3.317 . 0 0 "[ . 1 . 2]" 1
1144 1 80 SER H 1 83 THR H . . 4.380 3.419 2.779 3.809 . 0 0 "[ . 1 . 2]" 1
1145 1 80 SER H 1 83 THR HB . . 4.650 3.801 3.232 4.432 . 0 0 "[ . 1 . 2]" 1
1146 1 80 SER H 1 84 LEU QD . . 5.500 5.287 5.028 5.430 . 0 0 "[ . 1 . 2]" 1
1147 1 80 SER H 1 85 LYS H . . 5.230 5.305 5.290 5.325 0.095 1 0 "[ . 1 . 2]" 1
1148 1 80 SER HB3 1 81 GLY H . . 4.040 3.941 2.295 4.509 0.469 13 0 "[ . 1 . 2]" 1
1149 1 80 SER HB3 1 82 THR H . . 5.500 5.042 3.765 6.007 0.507 12 1 "[ . 1 + . 2]" 1
1150 1 81 GLY H 1 82 THR H . . 4.410 3.492 2.350 4.475 0.065 18 0 "[ . 1 . 2]" 1
1151 1 81 GLY HA3 1 82 THR H . . 3.520 2.449 2.255 2.712 . 0 0 "[ . 1 . 2]" 1
1152 1 81 GLY HA3 1 82 THR MG . . 4.590 3.691 3.179 4.686 0.096 2 0 "[ . 1 . 2]" 1
1153 1 82 THR H 1 82 THR MG . . 3.910 2.895 2.109 3.448 . 0 0 "[ . 1 . 2]" 1
1154 1 82 THR HA 1 82 THR MG . . 2.630 2.227 2.084 2.366 . 0 0 "[ . 1 . 2]" 1
1155 1 82 THR HA 1 97 LYS H . . 5.040 3.388 2.887 5.080 0.040 4 0 "[ . 1 . 2]" 1
1156 1 82 THR HA 1 97 LYS HB3 . . 3.550 2.795 2.233 3.254 . 0 0 "[ . 1 . 2]" 1
1157 1 82 THR HA 1 97 LYS HG3 . . 5.460 4.693 4.284 5.173 . 0 0 "[ . 1 . 2]" 1
1158 1 83 THR H 1 83 THR HB . . 3.640 2.596 2.369 2.913 . 0 0 "[ . 1 . 2]" 1
1159 1 83 THR H 1 83 THR MG . . 4.500 3.865 3.773 4.022 . 0 0 "[ . 1 . 2]" 1
1160 1 83 THR H 1 84 LEU H . . 5.260 4.310 3.994 4.522 . 0 0 "[ . 1 . 2]" 1
1161 1 83 THR HA 1 83 THR MG . . 3.160 2.416 2.318 2.534 . 0 0 "[ . 1 . 2]" 1
1162 1 83 THR HA 1 84 LEU H . . 2.820 2.222 2.106 2.331 . 0 0 "[ . 1 . 2]" 1
1163 1 83 THR HA 1 95 TYR H . . 5.010 4.385 3.917 4.766 . 0 0 "[ . 1 . 2]" 1
1164 1 83 THR HB 1 84 LEU H . . 4.630 4.251 3.992 4.504 . 0 0 "[ . 1 . 2]" 1
1165 1 83 THR MG 1 84 LEU H . . 3.190 3.017 2.632 3.293 0.103 3 0 "[ . 1 . 2]" 1
1166 1 83 THR MG 1 85 LYS H . . 4.300 4.098 3.785 4.363 0.063 4 0 "[ . 1 . 2]" 1
1167 1 83 THR MG 1 85 LYS HA . . 5.340 4.056 3.721 4.373 . 0 0 "[ . 1 . 2]" 1
1168 1 83 THR MG 1 95 TYR H . . 4.230 3.551 3.170 4.305 0.075 20 0 "[ . 1 . 2]" 1
1169 1 84 LEU H 1 84 LEU HB3 . . 3.820 2.601 2.187 3.028 . 0 0 "[ . 1 . 2]" 1
1170 1 84 LEU H 1 84 LEU QD . . 4.770 3.884 3.795 3.959 . 0 0 "[ . 1 . 2]" 1
1171 1 84 LEU H 1 84 LEU HG . . 4.410 4.353 4.166 4.489 0.079 3 0 "[ . 1 . 2]" 1
1172 1 84 LEU H 1 95 TYR H . . 3.820 3.094 2.767 3.460 . 0 0 "[ . 1 . 2]" 1
1173 1 84 LEU H 1 95 TYR HA . . 5.340 4.773 4.551 4.980 . 0 0 "[ . 1 . 2]" 1
1174 1 84 LEU H 1 95 TYR HB3 . . 4.210 4.489 4.295 4.753 0.543 4 1 "[ +. 1 . 2]" 1
1175 1 84 LEU HA 1 84 LEU QD . . 3.150 2.248 2.154 2.409 . 0 0 "[ . 1 . 2]" 1
1176 1 84 LEU HA 1 84 LEU HG . . 3.480 3.076 2.537 3.512 0.032 1 0 "[ . 1 . 2]" 1
1177 1 84 LEU HA 1 85 LYS H . . 2.830 2.204 2.098 2.286 . 0 0 "[ . 1 . 2]" 1
1178 1 84 LEU HB3 1 85 LYS H . . 4.690 4.126 3.665 4.409 . 0 0 "[ . 1 . 2]" 1
1179 1 84 LEU HB3 1 95 TYR H . . 5.340 3.234 2.750 3.710 . 0 0 "[ . 1 . 2]" 1
1180 1 84 LEU HB3 1 95 TYR HB3 . . 4.160 3.734 3.354 4.090 . 0 0 "[ . 1 . 2]" 1
1181 1 84 LEU QD 1 85 LYS H . . 3.460 2.247 1.986 2.629 . 0 0 "[ . 1 . 2]" 1
1182 1 84 LEU QD 1 86 VAL H . . 4.500 3.213 2.660 4.280 . 0 0 "[ . 1 . 2]" 1
1183 1 84 LEU QD 1 86 VAL MG2 . . 3.310 1.956 1.744 2.377 . 0 0 "[ . 1 . 2]" 1
1184 1 84 LEU QD 1 95 TYR H . . 5.500 4.272 3.898 4.558 . 0 0 "[ . 1 . 2]" 1
1185 1 84 LEU QD 1 95 TYR HB3 . . 4.440 3.812 3.208 4.228 . 0 0 "[ . 1 . 2]" 1
1186 1 84 LEU QD 1 95 TYR QR . . 4.670 2.976 2.196 3.649 . 0 0 "[ . 1 . 2]" 1
1187 1 84 LEU HG 1 85 LYS H . . 4.140 3.792 3.163 4.209 0.069 19 0 "[ . 1 . 2]" 1
1188 1 84 LEU HG 1 86 VAL H . . 5.500 4.386 2.984 5.583 0.083 12 0 "[ . 1 . 2]" 1
1189 1 84 LEU HG 1 86 VAL MG2 . . 3.720 2.963 2.085 3.834 0.114 5 0 "[ . 1 . 2]" 1
1190 1 84 LEU HG 1 95 TYR HB3 . . 4.980 5.498 4.545 6.415 1.435 19 10 "[ * * **** * -.* +2]" 1
1191 1 84 LEU HG 1 95 TYR QR . . 5.500 3.990 2.384 5.606 0.106 19 0 "[ . 1 . 2]" 1
1192 1 85 LYS H 1 85 LYS HB3 . . 3.420 2.603 2.390 2.745 . 0 0 "[ . 1 . 2]" 1
1193 1 85 LYS HA 1 85 LYS HD3 . . 4.680 4.691 4.570 4.809 0.129 7 0 "[ . 1 . 2]" 1
1194 1 85 LYS HA 1 85 LYS HG3 . . 4.000 2.418 2.284 2.600 . 0 0 "[ . 1 . 2]" 1
1195 1 85 LYS HA 1 86 VAL H . . 2.750 2.283 2.180 2.317 . 0 0 "[ . 1 . 2]" 1
1196 1 85 LYS HA 1 86 VAL MG2 . . 4.150 4.038 3.377 4.236 0.086 1 0 "[ . 1 . 2]" 1
1197 1 85 LYS HA 1 93 GLY H . . 4.830 4.643 4.255 4.915 0.085 14 0 "[ . 1 . 2]" 1
1198 1 85 LYS HA 1 94 THR H . . 5.500 5.325 4.939 5.579 0.079 5 0 "[ . 1 . 2]" 1
1199 1 85 LYS HA 1 95 TYR H . . 3.900 3.854 3.306 3.977 0.077 1 0 "[ . 1 . 2]" 1
1200 1 85 LYS HB3 1 86 VAL H . . 4.590 4.547 4.063 4.621 0.031 7 0 "[ . 1 . 2]" 1
1201 1 85 LYS HE3 1 85 LYS HG3 . . 3.910 2.903 2.242 3.734 . 0 0 "[ . 1 . 2]" 1
1202 1 85 LYS HG3 1 86 VAL H . . 4.030 3.733 2.602 4.076 0.046 3 0 "[ . 1 . 2]" 1
1203 1 85 LYS HG3 1 87 GLU HA . . 5.040 4.776 4.119 5.085 0.045 20 0 "[ . 1 . 2]" 1
1204 1 85 LYS HG3 1 93 GLY H . . 5.500 5.100 4.483 5.556 0.056 5 0 "[ . 1 . 2]" 1
1205 1 86 VAL H 1 86 VAL HB . . 3.390 2.596 2.444 2.790 . 0 0 "[ . 1 . 2]" 1
1206 1 86 VAL H 1 86 VAL MG2 . . 3.440 2.385 2.120 2.703 . 0 0 "[ . 1 . 2]" 1
1207 1 86 VAL H 1 87 GLU H . . 4.840 4.537 4.313 4.652 . 0 0 "[ . 1 . 2]" 1
1208 1 86 VAL H 1 92 ALA HA . . 4.440 4.333 3.967 4.516 0.076 16 0 "[ . 1 . 2]" 1
1209 1 86 VAL H 1 93 GLY H . . 3.640 3.078 2.584 3.408 . 0 0 "[ . 1 . 2]" 1
1210 1 86 VAL H 1 94 THR HA . . 4.100 3.835 3.054 4.179 0.079 2 0 "[ . 1 . 2]" 1
1211 1 86 VAL H 1 95 TYR H . . 4.790 4.667 4.250 4.856 0.066 4 0 "[ . 1 . 2]" 1
1212 1 86 VAL H 1 95 TYR QD . . 4.890 3.671 3.129 4.736 . 0 0 "[ . 1 . 2]" 1
1213 1 86 VAL HA 1 86 VAL MG1 . . 3.180 2.353 2.239 2.426 . 0 0 "[ . 1 . 2]" 1
1214 1 86 VAL HA 1 86 VAL MG2 . . 3.170 2.499 2.349 2.651 . 0 0 "[ . 1 . 2]" 1
1215 1 86 VAL HA 1 87 GLU H . . 2.820 2.193 2.110 2.318 . 0 0 "[ . 1 . 2]" 1
1216 1 86 VAL HB 1 92 ALA H . . 4.940 4.317 3.975 4.629 . 0 0 "[ . 1 . 2]" 1
1217 1 86 VAL HB 1 92 ALA HA . . 3.070 2.419 2.207 2.592 . 0 0 "[ . 1 . 2]" 1
1218 1 86 VAL HB 1 92 ALA MB . . 4.200 4.071 3.905 4.245 0.045 9 0 "[ . 1 . 2]" 1
1219 1 86 VAL HB 1 93 GLY H . . 3.240 2.384 1.744 2.890 . 0 0 "[ . 1 . 2]" 1
1220 1 86 VAL MG1 1 87 GLU H . . 3.530 2.673 2.538 2.959 . 0 0 "[ . 1 . 2]" 1
1221 1 86 VAL MG1 1 87 GLU HA . . 4.480 4.194 4.033 4.402 . 0 0 "[ . 1 . 2]" 1
1222 1 86 VAL MG1 1 88 THR H . . 3.090 2.310 1.996 2.723 . 0 0 "[ . 1 . 2]" 1
1223 1 86 VAL MG1 1 88 THR MG . . 3.830 3.609 3.286 3.911 0.081 14 0 "[ . 1 . 2]" 1
1224 1 86 VAL MG1 1 91 GLU H . . 4.930 3.645 3.196 3.920 . 0 0 "[ . 1 . 2]" 1
1225 1 86 VAL MG1 1 92 ALA H . . 4.320 3.504 3.191 3.884 . 0 0 "[ . 1 . 2]" 1
1226 1 86 VAL MG1 1 92 ALA HA . . 3.110 2.442 2.026 3.011 . 0 0 "[ . 1 . 2]" 1
1227 1 86 VAL MG1 1 92 ALA MB . . 3.800 3.210 2.891 3.701 . 0 0 "[ . 1 . 2]" 1
1228 1 86 VAL MG1 1 93 GLY H . . 4.030 3.660 3.225 4.124 0.094 3 0 "[ . 1 . 2]" 1
1229 1 86 VAL MG2 1 87 GLU H . . 4.920 4.175 3.917 4.382 . 0 0 "[ . 1 . 2]" 1
1230 1 86 VAL MG2 1 91 GLU HB3 . . 4.880 3.100 2.165 3.824 . 0 0 "[ . 1 . 2]" 1
1231 1 86 VAL MG2 1 92 ALA HA . . 4.120 4.028 3.741 4.210 0.090 2 0 "[ . 1 . 2]" 1
1232 1 86 VAL MG2 1 93 GLY H . . 4.700 3.829 3.198 4.238 . 0 0 "[ . 1 . 2]" 1
1233 1 86 VAL MG2 1 95 TYR QR . . 4.530 2.937 1.961 3.873 . 0 0 "[ . 1 . 2]" 1
1234 1 87 GLU H 1 87 GLU HB3 . . 3.670 3.601 3.470 3.686 0.016 20 0 "[ . 1 . 2]" 1
1235 1 87 GLU H 1 87 GLU HG3 . . 3.510 2.679 2.157 3.576 0.066 8 0 "[ . 1 . 2]" 1
1236 1 87 GLU H 1 88 THR H . . 3.150 2.417 2.252 2.551 . 0 0 "[ . 1 . 2]" 1
1237 1 87 GLU H 1 88 THR MG . . 4.790 3.775 3.497 4.216 . 0 0 "[ . 1 . 2]" 1
1238 1 87 GLU HA 1 87 GLU HB3 . . 2.920 2.432 2.320 2.600 . 0 0 "[ . 1 . 2]" 1
1239 1 87 GLU HA 1 87 GLU HG3 . . 3.470 3.441 3.202 3.565 0.095 19 0 "[ . 1 . 2]" 1
1240 1 87 GLU HA 1 92 ALA MB . . 4.380 3.849 3.477 4.469 0.089 14 0 "[ . 1 . 2]" 1
1241 1 87 GLU HB3 1 88 THR H . . 4.120 3.928 3.336 4.155 0.035 4 0 "[ . 1 . 2]" 1
1242 1 87 GLU HB3 1 88 THR MG . . 4.160 4.130 3.857 4.256 0.096 9 0 "[ . 1 . 2]" 1
1243 1 87 GLU HG3 1 88 THR H . . 5.060 4.529 4.117 5.007 . 0 0 "[ . 1 . 2]" 1
1244 1 88 THR H 1 88 THR HB . . 3.500 3.211 2.914 3.368 . 0 0 "[ . 1 . 2]" 1
1245 1 88 THR H 1 88 THR MG . . 3.630 2.283 2.121 2.481 . 0 0 "[ . 1 . 2]" 1
1246 1 88 THR H 1 89 GLY H . . 4.640 4.435 4.361 4.496 . 0 0 "[ . 1 . 2]" 1
1247 1 88 THR H 1 92 ALA HA . . 4.890 3.874 3.512 4.228 . 0 0 "[ . 1 . 2]" 1
1248 1 88 THR H 1 92 ALA MB . . 4.340 3.517 3.230 3.886 . 0 0 "[ . 1 . 2]" 1
1249 1 88 THR HA 1 88 THR MG . . 3.130 3.227 3.219 3.235 0.105 6 0 "[ . 1 . 2]" 1
1250 1 88 THR HA 1 89 GLY H . . 2.670 2.509 2.307 2.734 0.064 3 0 "[ . 1 . 2]" 1
1251 1 88 THR HA 1 92 ALA H . . 5.500 4.675 4.426 5.049 . 0 0 "[ . 1 . 2]" 1
1252 1 88 THR HA 1 92 ALA MB . . 3.640 2.337 2.149 2.606 . 0 0 "[ . 1 . 2]" 1
1253 1 88 THR HB 1 89 GLY H . . 3.780 3.842 3.760 3.864 0.084 13 0 "[ . 1 . 2]" 1
1254 1 88 THR MG 1 89 GLY H . . 3.750 3.306 2.772 3.780 0.030 10 0 "[ . 1 . 2]" 1
1255 1 88 THR MG 1 89 GLY HA2 . . 4.600 4.154 3.503 4.472 . 0 0 "[ . 1 . 2]" 1
1256 1 89 GLY H 1 89 GLY HA2 . . 2.950 2.351 2.249 2.476 . 0 0 "[ . 1 . 2]" 1
1257 1 89 GLY H 1 90 SER H . . 4.330 4.406 4.366 4.424 0.094 19 0 "[ . 1 . 2]" 1
1258 1 89 GLY H 1 91 GLU H . . 5.310 5.126 4.940 5.366 0.056 18 0 "[ . 1 . 2]" 1
1259 1 89 GLY H 1 92 ALA H . . 5.410 4.642 4.357 4.958 . 0 0 "[ . 1 . 2]" 1
1260 1 89 GLY H 1 92 ALA MB . . 4.350 3.306 2.826 3.785 . 0 0 "[ . 1 . 2]" 1
1261 1 89 GLY HA2 1 90 SER H . . 3.010 2.518 2.436 2.647 . 0 0 "[ . 1 . 2]" 1
1262 1 89 GLY HA2 1 91 GLU H . . 4.160 4.174 3.902 4.248 0.088 11 0 "[ . 1 . 2]" 1
1263 1 89 GLY HA3 1 90 SER H . . 3.230 2.508 2.334 2.718 . 0 0 "[ . 1 . 2]" 1
1264 1 89 GLY HA3 1 91 GLU H . . 3.940 3.049 2.624 3.272 . 0 0 "[ . 1 . 2]" 1
1265 1 89 GLY HA3 1 92 ALA H . . 4.750 4.079 3.626 4.439 . 0 0 "[ . 1 . 2]" 1
1266 1 90 SER H 1 90 SER HA . . 2.930 2.846 2.771 2.934 0.004 19 0 "[ . 1 . 2]" 1
1267 1 90 SER H 1 90 SER HB3 . . 3.360 3.372 2.851 3.632 0.272 3 0 "[ . 1 . 2]" 1
1268 1 90 SER H 1 91 GLU H . . 3.200 2.636 2.100 2.852 . 0 0 "[ . 1 . 2]" 1
1269 1 90 SER H 1 92 ALA H . . 4.580 4.370 3.984 4.618 0.038 13 0 "[ . 1 . 2]" 1
1270 1 90 SER HA 1 92 ALA H . . 3.860 3.896 3.755 3.947 0.087 12 0 "[ . 1 . 2]" 1
1271 1 90 SER HA 1 92 ALA MB . . 4.660 4.560 4.217 4.725 0.065 17 0 "[ . 1 . 2]" 1
1272 1 90 SER HB3 1 91 GLU H . . 3.790 3.688 3.091 4.013 0.223 9 0 "[ . 1 . 2]" 1
1273 1 90 SER HB3 1 91 GLU HG3 . . 5.060 4.077 2.814 5.704 0.644 9 1 "[ . +1 . 2]" 1
1274 1 91 GLU H 1 91 GLU HB3 . . 3.770 3.647 3.511 3.782 0.012 16 0 "[ . 1 . 2]" 1
1275 1 91 GLU H 1 91 GLU HG3 . . 4.200 3.345 2.716 4.278 0.078 12 0 "[ . 1 . 2]" 1
1276 1 91 GLU H 1 92 ALA H . . 3.290 2.620 2.494 2.821 . 0 0 "[ . 1 . 2]" 1
1277 1 91 GLU H 1 92 ALA MB . . 4.950 4.170 3.949 4.374 . 0 0 "[ . 1 . 2]" 1
1278 1 91 GLU HA 1 91 GLU HG3 . . 3.480 2.741 2.242 3.548 0.068 9 0 "[ . 1 . 2]" 1
1279 1 91 GLU HA 1 92 ALA H . . 3.080 3.137 2.959 3.173 0.093 20 0 "[ . 1 . 2]" 1
1280 1 91 GLU HB3 1 92 ALA H . . 4.500 4.379 4.182 4.501 0.001 8 0 "[ . 1 . 2]" 1
1281 1 92 ALA H 1 92 ALA MB . . 2.770 2.226 2.146 2.292 . 0 0 "[ . 1 . 2]" 1
1282 1 92 ALA H 1 93 GLY H . . 4.320 4.396 4.381 4.411 0.091 15 0 "[ . 1 . 2]" 1
1283 1 92 ALA HA 1 93 GLY H . . 2.720 2.157 2.084 2.216 . 0 0 "[ . 1 . 2]" 1
1284 1 92 ALA MB 1 93 GLY H . . 3.400 3.411 3.228 3.490 0.090 13 0 "[ . 1 . 2]" 1
1285 1 92 ALA MB 1 93 GLY HA2 . . 5.500 4.268 4.108 4.459 . 0 0 "[ . 1 . 2]" 1
1286 1 93 GLY HA2 1 94 THR H . . 3.080 2.885 2.632 3.166 0.086 13 0 "[ . 1 . 2]" 1
1287 1 93 GLY HA2 1 94 THR MG . . 4.130 3.585 2.831 4.135 0.005 1 0 "[ . 1 . 2]" 1
1288 1 93 GLY HA3 1 94 THR H . . 2.760 2.287 2.038 2.456 . 0 0 "[ . 1 . 2]" 1
1289 1 93 GLY HA3 1 94 THR MG . . 3.670 3.982 3.749 4.226 0.556 14 6 "[ *. * * +.* - 2]" 1
1290 1 94 THR H 1 94 THR MG . . 3.930 2.529 2.077 3.131 . 0 0 "[ . 1 . 2]" 1
1291 1 94 THR H 1 95 TYR H . . 4.780 4.193 3.814 4.392 . 0 0 "[ . 1 . 2]" 1
1292 1 94 THR HA 1 94 THR MG . . 3.260 2.993 2.308 3.309 0.049 2 0 "[ . 1 . 2]" 1
1293 1 94 THR HA 1 95 TYR H . . 2.980 2.216 2.134 2.269 . 0 0 "[ . 1 . 2]" 1
1294 1 94 THR HA 1 95 TYR HB3 . . 5.200 5.672 5.433 5.833 0.633 1 7 "[+ **. ** 1 . *-]" 1
1295 1 94 THR MG 1 95 TYR H . . 5.010 4.145 3.803 4.444 . 0 0 "[ . 1 . 2]" 1
1296 1 95 TYR H 1 95 TYR HB3 . . 3.720 3.815 3.723 3.921 0.201 5 0 "[ . 1 . 2]" 1
1297 1 95 TYR H 1 95 TYR QD . . 3.670 2.843 2.454 3.758 0.088 1 0 "[ . 1 . 2]" 1
1298 1 95 TYR H 1 96 LYS H . . 4.970 4.440 4.345 4.568 . 0 0 "[ . 1 . 2]" 1
1299 1 95 TYR HA 1 96 LYS H . . 3.080 2.277 2.148 2.383 . 0 0 "[ . 1 . 2]" 1
1300 1 95 TYR HB3 1 96 LYS H . . 4.700 2.718 2.236 3.281 . 0 0 "[ . 1 . 2]" 1
1301 1 96 LYS HA 1 96 LYS HD3 . . 3.810 2.854 2.168 3.894 0.084 9 0 "[ . 1 . 2]" 1
1302 1 96 LYS HA 1 97 LYS HB3 . . 5.160 4.685 4.390 4.967 . 0 0 "[ . 1 . 2]" 1
1303 1 97 LYS H 1 97 LYS HB3 . . 3.570 2.695 2.311 3.663 0.093 4 0 "[ . 1 . 2]" 1
1304 1 97 LYS HA 1 97 LYS HG3 . . 4.010 2.480 2.193 3.167 . 0 0 "[ . 1 . 2]" 1
1305 1 97 LYS HA 1 98 GLN H . . 3.140 2.268 2.173 2.354 . 0 0 "[ . 1 . 2]" 1
1306 1 97 LYS HG3 1 98 GLN H . . 4.580 2.599 2.089 3.262 . 0 0 "[ . 1 . 2]" 1
1307 1 97 LYS HG3 1 98 GLN HA . . 5.410 4.747 3.401 5.833 0.423 15 0 "[ . 1 . 2]" 1
1308 1 97 LYS HG3 1 99 LYS H . . 4.590 3.990 2.595 5.503 0.913 13 5 "[ * . * 1*-+ . 2]" 1
1309 1 98 GLN H 1 98 GLN HB3 . . 3.920 3.773 3.279 3.868 . 0 0 "[ . 1 . 2]" 1
1310 1 98 GLN H 1 99 LYS H . . 5.270 3.271 2.123 4.276 . 0 0 "[ . 1 . 2]" 1
1311 1 98 GLN HA 1 99 LYS H . . 3.410 2.456 1.961 3.045 . 0 0 "[ . 1 . 2]" 1
1312 1 98 GLN HB3 1 99 LYS H . . 4.560 3.930 2.533 4.561 0.001 20 0 "[ . 1 . 2]" 1
1313 1 99 LYS H 1 99 LYS HB3 . . 3.980 3.761 3.139 4.141 0.161 18 0 "[ . 1 . 2]" 1
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