NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555658 |
2m2b   |
18905 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2b
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 1133
_Distance_constraint_stats_list.Viol_count 2757
_Distance_constraint_stats_list.Viol_total 10417.076
_Distance_constraint_stats_list.Viol_max 1.690
_Distance_constraint_stats_list.Viol_rms 0.1133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0230
_Distance_constraint_stats_list.Viol_average_violations_only 0.1889
_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 4 GLY 3.713 0.898 1 1 "[+ . 1 . 2]"
1 5 VAL 16.681 1.059 12 16 "[* * **-****+****** 2]"
1 6 LEU 26.585 1.059 12 17 "[*** -******+****** 2]"
1 7 ALA 11.187 1.448 5 9 "[ ** + *- 1** . **]"
1 8 SER 13.795 1.448 5 9 "[ ** + ** 1** . **]"
1 9 GLN 0.293 0.085 18 0 "[ . 1 . 2]"
1 10 ALA 0.314 0.089 3 0 "[ . 1 . 2]"
1 11 LEU 0.072 0.072 13 0 "[ . 1 . 2]"
1 12 SER 0.387 0.089 3 0 "[ . 1 . 2]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 6.229 0.543 8 3 "[ -* . + 1 . 2]"
1 15 SER 17.923 0.956 13 12 "[ -* ** *** *+ .* **]"
1 16 GLU 12.069 0.956 13 12 "[ *- ** *** *+ .* **]"
1 22 ALA 5.601 0.951 19 4 "[ - ** . +2]"
1 23 ASN 6.145 0.951 19 4 "[ - ** . +2]"
1 24 ASP 14.587 1.485 6 12 "[ -**.+ **1** *.* * *]"
1 25 THR 14.040 1.511 19 9 "[ **-* *1 *.** +2]"
1 26 ILE 7.854 0.508 17 1 "[ . 1 . + 2]"
1 27 ILE 13.140 1.232 10 5 "[ - .* + ** 2]"
1 28 LEU 0.602 0.105 19 0 "[ . 1 . 2]"
1 29 ARG 3.139 0.284 15 0 "[ . 1 . 2]"
1 30 ASN 2.843 0.284 15 0 "[ . 1 . 2]"
1 31 LEU 28.534 1.244 19 17 "[ ** ****-******** +*]"
1 32 ASN 25.610 1.470 3 17 "[ *+ ****-******** **]"
1 33 PRO 7.702 0.598 18 5 "[* *. 1 -*. + 2]"
1 34 HIS 3.436 0.369 17 0 "[ . 1 . 2]"
1 35 SER 13.063 0.598 18 6 "[* -*. 1 **. + 2]"
1 36 THR 5.266 0.109 13 0 "[ . 1 . 2]"
1 37 MET 22.116 1.410 19 8 "[* * . * *1 *-.* +2]"
1 38 ASP 11.532 1.410 19 7 "[* * . * *1 *.- +2]"
1 39 SER 2.083 0.098 5 0 "[ . 1 . 2]"
1 40 ILE 3.034 0.109 13 0 "[ . 1 . 2]"
1 41 LEU 7.630 0.695 14 2 "[ . - 1 +. 2]"
1 42 GLY 0.372 0.098 9 0 "[ . 1 . 2]"
1 43 ALA 2.222 0.114 7 0 "[ . 1 . 2]"
1 44 LEU 17.470 1.213 2 18 "[*+****** **-**.*****]"
1 45 ALA 2.042 0.093 3 0 "[ . 1 . 2]"
1 46 PRO 13.438 0.714 20 16 "[* **.****1***** *-*+]"
1 47 TYR 38.226 1.213 2 20 [*+****************-*]
1 48 ALA 6.248 0.353 15 0 "[ . 1 . 2]"
1 49 VAL 1.787 0.089 8 0 "[ . 1 . 2]"
1 50 LEU 14.757 0.919 7 8 "[ *.*+-*1 * * * 2]"
1 51 SER 14.703 0.919 7 11 "[ *.*+**1 *-** **]"
1 52 SER 7.005 1.194 9 4 "[ . +1 *-. *2]"
1 53 SER 12.343 0.994 16 15 "[*******- * ***+ **2]"
1 54 ASN 33.183 0.994 16 19 "[*******-*******+ ***]"
1 55 VAL 7.209 0.637 18 3 "[ . 1- . + *]"
1 56 ARG 0.996 0.092 15 0 "[ . 1 . 2]"
1 57 VAL 3.209 0.585 17 1 "[ . 1 . + 2]"
1 58 ILE 16.758 0.904 8 19 "[*******+***** ****-*]"
1 59 LYS 41.009 1.625 17 20 [*************-**+***]
1 60 ASP 0.147 0.062 4 0 "[ . 1 . 2]"
1 61 LYS 6.973 0.734 15 1 "[ . 1 + 2]"
1 62 GLN 3.841 0.734 15 1 "[ . 1 + 2]"
1 63 THR 15.462 0.642 8 19 "[***-***+** *********]"
1 64 GLN 34.438 1.020 14 19 "[********** **+*****-]"
1 65 LEU 11.152 0.544 16 4 "[ . 1 *+* -]"
1 66 ASN 4.361 0.585 17 4 "[ - . * 1 *. + 2]"
1 67 ARG 0.078 0.062 4 0 "[ . 1 . 2]"
1 68 GLY 0.490 0.083 17 0 "[ . 1 . 2]"
1 69 PHE 2.454 0.351 12 0 "[ . 1 . 2]"
1 70 ALA 2.734 0.351 12 0 "[ . 1 . 2]"
1 71 PHE 5.008 0.270 12 0 "[ . 1 . 2]"
1 72 ILE 1.954 0.088 15 0 "[ . 1 . 2]"
1 73 GLN 0.317 0.076 17 0 "[ . 1 . 2]"
1 74 LEU 2.149 1.191 9 2 "[ . +1 .- 2]"
1 75 SER 0.520 0.082 8 0 "[ . 1 . 2]"
1 76 THR 1.053 0.107 19 0 "[ . 1 . 2]"
1 77 ILE 8.471 0.432 10 0 "[ . 1 . 2]"
1 78 GLU 0.988 0.323 5 0 "[ . 1 . 2]"
1 79 ALA 19.036 1.485 6 12 "[ -**.+ **1** *.* * *]"
1 80 ALA 6.041 0.386 5 0 "[ . 1 . 2]"
1 81 GLN 28.120 1.412 17 19 "[* *************-+***]"
1 82 LEU 2.579 0.277 11 0 "[ . 1 . 2]"
1 83 LEU 9.053 0.508 17 1 "[ . 1 . + 2]"
1 84 GLN 3.106 0.085 3 0 "[ . 1 . 2]"
1 85 ILE 28.776 1.412 17 19 "[* *************-+***]"
1 86 LEU 18.343 0.955 13 16 "[****. ** ***+*.***-*]"
1 87 GLN 30.275 0.955 13 12 "[****. *- 1**+*.* * 2]"
1 88 ALA 5.565 0.374 5 0 "[ . 1 . 2]"
1 89 LEU 2.930 0.114 7 0 "[ . 1 . 2]"
1 90 HIS 0.603 0.093 10 0 "[ . 1 . 2]"
1 91 PRO 0.178 0.056 6 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LEU 2.839 0.979 5 2 "[ - + 1 . 2]"
1 94 THR 8.051 0.979 5 2 "[ - + 1 . 2]"
1 95 ILE 10.202 0.585 18 2 "[ .- 1 . + 2]"
1 96 ASP 2.723 0.114 2 0 "[ . 1 . 2]"
1 97 GLY 4.477 1.347 4 2 "[ +. 1 - . 2]"
1 98 LYS 47.355 1.690 6 18 "[* *-*+*********** **]"
1 99 THR 20.426 1.690 6 12 "[* **+ *1 ***.** -*]"
1 100 ILE 3.224 0.118 1 0 "[ . 1 . 2]"
1 101 ASN 1.950 0.096 11 0 "[ . 1 . 2]"
1 102 VAL 1.189 0.101 16 0 "[ . 1 . 2]"
1 103 GLU 7.642 1.232 10 5 "[ - .* + ** 2]"
1 104 PHE 8.504 0.922 4 4 "[ +. -1 . ** 2]"
1 105 ALA 2.898 0.119 9 0 "[ . 1 . 2]"
1 106 LYS 17.126 1.511 19 10 "[ **** *1 *.**-+2]"
1 107 GLY 1.080 0.081 9 0 "[ . 1 . 2]"
1 108 SER 0.968 0.097 2 0 "[ . 1 . 2]"
1 109 LYS 0.061 0.061 5 0 "[ . 1 . 2]"
1 112 MET 0.997 0.100 12 0 "[ . 1 . 2]"
1 113 ALA 0.552 0.100 12 0 "[ . 1 . 2]"
1 114 SER 0.748 0.094 20 0 "[ . 1 . 2]"
1 119 ARG 1.224 0.095 2 0 "[ . 1 . 2]"
1 120 ILE 1.818 0.117 1 0 "[ . 1 . 2]"
1 121 SER 0.256 0.084 20 0 "[ . 1 . 2]"
1 124 SER 0.872 0.067 3 0 "[ . 1 . 2]"
1 125 VAL 1.479 0.069 7 0 "[ . 1 . 2]"
1 126 ALA 1.085 0.073 4 0 "[ . 1 . 2]"
1 127 SER 0.018 0.018 9 0 "[ . 1 . 2]"
1 128 THR 0.496 0.073 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLY H 1 5 VAL H . . 5.200 3.726 2.167 4.492 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLY H 1 6 LEU MD2 . . 5.320 4.616 2.424 6.218 0.898 1 1 "[+ . 1 . 2]" 1
3 1 4 GLY H 1 6 LEU HG . . 5.500 4.956 3.672 5.570 0.070 1 0 "[ . 1 . 2]" 1
4 1 4 GLY HA2 1 5 VAL H . . 3.350 3.088 2.569 3.626 0.276 4 0 "[ . 1 . 2]" 1
5 1 5 VAL H 1 5 VAL HB . . 3.820 3.228 2.187 3.831 0.011 20 0 "[ . 1 . 2]" 1
6 1 5 VAL H 1 5 VAL MG2 . . 4.160 2.597 1.839 3.962 . 0 0 "[ . 1 . 2]" 1
7 1 5 VAL H 1 6 LEU H . . 4.300 4.257 3.268 4.392 0.092 13 0 "[ . 1 . 2]" 1
8 1 5 VAL HA 1 5 VAL MG2 . . 3.660 2.851 2.240 3.296 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL HA 1 6 LEU H . . 3.160 2.225 2.096 2.422 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL HA 1 6 LEU HB3 . . 4.750 5.460 4.550 5.809 1.059 12 16 "[* * **-****+****** 2]" 1
11 1 5 VAL HB 1 6 LEU H . . 4.380 3.618 2.441 4.416 0.036 2 0 "[ . 1 . 2]" 1
12 1 6 LEU H 1 6 LEU HB3 . . 3.370 3.733 3.392 3.953 0.583 6 6 "[* -+ 1 * .* * 2]" 1
13 1 6 LEU H 1 6 LEU MD1 . . 4.660 3.617 2.401 4.454 . 0 0 "[ . 1 . 2]" 1
14 1 6 LEU H 1 6 LEU MD2 . . 5.500 3.958 2.151 4.778 . 0 0 "[ . 1 . 2]" 1
15 1 6 LEU HA 1 6 LEU MD1 . . 4.390 3.589 2.143 4.109 . 0 0 "[ . 1 . 2]" 1
16 1 6 LEU HA 1 6 LEU MD2 . . 3.460 3.016 2.180 4.094 0.634 2 1 "[ + . 1 . 2]" 1
17 1 6 LEU HA 1 7 ALA H . . 3.140 2.446 2.256 3.040 . 0 0 "[ . 1 . 2]" 1
18 1 6 LEU HB3 1 6 LEU MD1 . . 3.220 2.750 2.200 3.209 . 0 0 "[ . 1 . 2]" 1
19 1 7 ALA HA 1 8 SER H . . 3.360 2.383 2.035 2.693 . 0 0 "[ . 1 . 2]" 1
20 1 7 ALA HA 1 8 SER HB3 . . 4.280 4.839 4.344 5.728 1.448 5 9 "[ ** + *- 1** . **]" 1
21 1 8 SER H 1 8 SER HA . . 2.910 2.871 2.803 2.955 0.045 1 0 "[ . 1 . 2]" 1
22 1 8 SER H 1 8 SER HB3 . . 3.380 3.296 2.598 3.943 0.563 12 3 "[ - 1*+ . 2]" 1
23 1 8 SER HB3 1 9 GLN H . . 4.570 3.542 2.583 4.422 . 0 0 "[ . 1 . 2]" 1
24 1 9 GLN H 1 9 GLN HB3 . . 3.740 3.310 2.339 3.825 0.085 18 0 "[ . 1 . 2]" 1
25 1 9 GLN HB3 1 10 ALA H . . 4.710 3.698 2.457 4.261 . 0 0 "[ . 1 . 2]" 1
26 1 10 ALA H 1 10 ALA MB . . 2.880 2.609 2.204 2.809 . 0 0 "[ . 1 . 2]" 1
27 1 10 ALA HA 1 11 LEU H . . 2.810 2.391 2.166 2.747 . 0 0 "[ . 1 . 2]" 1
28 1 10 ALA HA 1 11 LEU QD . . 4.890 3.652 3.004 4.415 . 0 0 "[ . 1 . 2]" 1
29 1 10 ALA MB 1 12 SER H . . 5.500 5.287 4.650 5.589 0.089 3 0 "[ . 1 . 2]" 1
30 1 11 LEU H 1 11 LEU HB3 . . 3.910 3.464 3.129 3.884 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU H 1 11 LEU QD . . 3.740 2.961 2.006 3.614 . 0 0 "[ . 1 . 2]" 1
32 1 11 LEU HA 1 12 SER H . . 3.200 2.414 2.116 3.272 0.072 13 0 "[ . 1 . 2]" 1
33 1 11 LEU QD 1 12 SER H . . 5.500 3.210 1.729 4.143 . 0 0 "[ . 1 . 2]" 1
34 1 13 GLN HA 1 14 GLY H . . 3.140 2.505 2.113 2.846 . 0 0 "[ . 1 . 2]" 1
35 1 14 GLY H 1 14 GLY HA3 . . 2.900 2.720 2.282 3.007 0.107 1 0 "[ . 1 . 2]" 1
36 1 14 GLY H 1 15 SER H . . 3.770 3.446 2.717 3.842 0.072 9 0 "[ . 1 . 2]" 1
37 1 14 GLY H 1 15 SER HA . . 5.470 4.859 4.040 5.484 0.014 8 0 "[ . 1 . 2]" 1
38 1 14 GLY HA3 1 15 SER H . . 3.130 3.020 2.177 3.673 0.543 8 3 "[ -* . + 1 . 2]" 1
39 1 14 GLY HA3 1 15 SER HA . . 4.530 4.522 4.362 4.719 0.189 8 0 "[ . 1 . 2]" 1
40 1 15 SER H 1 15 SER HB3 . . 3.820 3.565 3.082 3.873 0.053 15 0 "[ . 1 . 2]" 1
41 1 15 SER H 1 16 GLU H . . 4.060 4.119 3.896 4.149 0.089 3 0 "[ . 1 . 2]" 1
42 1 15 SER HA 1 16 GLU H . . 3.210 2.214 2.025 2.387 . 0 0 "[ . 1 . 2]" 1
43 1 15 SER HB3 1 16 GLU H . . 3.120 3.641 2.817 4.076 0.956 13 12 "[ *- ** *** *+ .* **]" 1
44 1 22 ALA H 1 22 ALA MB . . 3.000 2.610 2.237 2.941 . 0 0 "[ . 1 . 2]" 1
45 1 22 ALA H 1 23 ASN HB3 . . 5.500 5.228 3.507 6.451 0.951 19 4 "[ - ** . +2]" 1
46 1 22 ALA HA 1 23 ASN H . . 2.920 2.355 2.095 2.963 0.043 12 0 "[ . 1 . 2]" 1
47 1 22 ALA MB 1 23 ASN H . . 3.950 3.179 1.954 3.797 . 0 0 "[ . 1 . 2]" 1
48 1 22 ALA MB 1 23 ASN HD21 . . 5.500 5.446 4.882 5.605 0.105 6 0 "[ . 1 . 2]" 1
49 1 22 ALA MB 1 107 GLY QA . . 5.500 3.664 2.105 5.468 . 0 0 "[ . 1 . 2]" 1
50 1 22 ALA MB 1 108 SER H . . 5.500 4.027 1.828 5.597 0.097 2 0 "[ . 1 . 2]" 1
51 1 23 ASN H 1 23 ASN HB3 . . 3.970 3.062 2.615 3.633 . 0 0 "[ . 1 . 2]" 1
52 1 23 ASN H 1 23 ASN HD21 . . 4.770 4.308 1.815 4.816 0.046 13 0 "[ . 1 . 2]" 1
53 1 23 ASN H 1 24 ASP H . . 4.320 3.859 1.633 4.402 0.082 12 0 "[ . 1 . 2]" 1
54 1 23 ASN HB3 1 24 ASP H . . 4.260 3.396 2.233 4.345 0.085 2 0 "[ . 1 . 2]" 1
55 1 23 ASN HD21 1 24 ASP H . . 5.500 2.627 1.855 5.031 . 0 0 "[ . 1 . 2]" 1
56 1 23 ASN HD21 1 24 ASP HA . . 5.500 4.886 4.158 5.576 0.076 2 0 "[ . 1 . 2]" 1
57 1 23 ASN HD21 1 76 THR MG . . 5.110 4.371 3.237 5.215 0.105 15 0 "[ . 1 . 2]" 1
58 1 24 ASP H 1 76 THR MG . . 5.500 4.617 2.980 5.574 0.074 2 0 "[ . 1 . 2]" 1
59 1 24 ASP H 1 79 ALA MB . . 5.500 4.988 4.036 5.607 0.107 12 0 "[ . 1 . 2]" 1
60 1 24 ASP H 1 106 LYS HA . . 5.500 4.664 3.938 5.113 . 0 0 "[ . 1 . 2]" 1
61 1 24 ASP HA 1 25 THR H . . 3.470 2.197 2.078 2.367 . 0 0 "[ . 1 . 2]" 1
62 1 24 ASP HA 1 79 ALA MB . . 3.680 3.675 3.060 3.802 0.122 13 0 "[ . 1 . 2]" 1
63 1 24 ASP HA 1 106 LYS HA . . 4.360 2.763 2.056 3.213 . 0 0 "[ . 1 . 2]" 1
64 1 24 ASP HA 1 107 GLY H . . 4.380 3.889 3.135 4.460 0.080 19 0 "[ . 1 . 2]" 1
65 1 24 ASP HB3 1 25 THR H . . 4.550 3.932 2.721 4.168 . 0 0 "[ . 1 . 2]" 1
66 1 24 ASP HB3 1 76 THR MG . . 4.930 3.453 2.269 4.762 . 0 0 "[ . 1 . 2]" 1
67 1 24 ASP HB3 1 79 ALA HA . . 5.500 5.857 4.495 6.985 1.485 6 12 "[ -**.+ **1** *.* * *]" 1
68 1 24 ASP HB3 1 79 ALA MB . . 4.280 2.862 1.970 3.715 . 0 0 "[ . 1 . 2]" 1
69 1 25 THR H 1 25 THR HB . . 3.530 2.916 2.506 3.247 . 0 0 "[ . 1 . 2]" 1
70 1 25 THR H 1 25 THR MG . . 4.610 3.955 3.814 4.076 . 0 0 "[ . 1 . 2]" 1
71 1 25 THR H 1 26 ILE H . . 4.820 4.216 3.923 4.482 . 0 0 "[ . 1 . 2]" 1
72 1 25 THR H 1 104 PHE QD . . 5.070 4.262 2.922 5.162 0.092 6 0 "[ . 1 . 2]" 1
73 1 25 THR H 1 105 ALA H . . 4.930 3.972 3.440 4.772 . 0 0 "[ . 1 . 2]" 1
74 1 25 THR H 1 105 ALA MB . . 4.940 4.319 3.583 5.015 0.075 11 0 "[ . 1 . 2]" 1
75 1 25 THR H 1 106 LYS HA . . 4.970 2.881 2.253 3.577 . 0 0 "[ . 1 . 2]" 1
76 1 25 THR H 1 106 LYS HB3 . . 4.070 3.827 1.859 5.581 1.511 19 9 "[ **-* *1 *.** +2]" 1
77 1 25 THR HA 1 25 THR MG . . 3.610 2.446 2.195 2.765 . 0 0 "[ . 1 . 2]" 1
78 1 25 THR HA 1 26 ILE H . . 3.460 2.294 2.125 2.407 . 0 0 "[ . 1 . 2]" 1
79 1 25 THR HA 1 26 ILE HB . . 4.660 4.508 4.289 4.716 0.056 2 0 "[ . 1 . 2]" 1
80 1 25 THR HA 1 72 ILE H . . 5.000 4.638 4.049 5.073 0.073 10 0 "[ . 1 . 2]" 1
81 1 25 THR HA 1 74 LEU H . . 4.730 3.530 2.988 4.401 . 0 0 "[ . 1 . 2]" 1
82 1 25 THR HB 1 26 ILE H . . 5.070 4.018 3.372 4.477 . 0 0 "[ . 1 . 2]" 1
83 1 25 THR HB 1 105 ALA H . . 5.000 4.139 3.535 4.906 . 0 0 "[ . 1 . 2]" 1
84 1 25 THR HB 1 105 ALA MB . . 3.600 2.972 2.476 3.687 0.087 20 0 "[ . 1 . 2]" 1
85 1 25 THR MG 1 26 ILE H . . 3.700 2.527 2.004 3.112 . 0 0 "[ . 1 . 2]" 1
86 1 25 THR MG 1 26 ILE MD . . 4.890 4.956 4.368 5.050 0.160 9 0 "[ . 1 . 2]" 1
87 1 25 THR MG 1 27 ILE MD . . 4.200 3.834 3.162 4.308 0.108 17 0 "[ . 1 . 2]" 1
88 1 25 THR MG 1 71 PHE HA . . 4.210 3.637 2.904 4.172 . 0 0 "[ . 1 . 2]" 1
89 1 25 THR MG 1 71 PHE HB3 . . 4.650 3.506 2.503 4.920 0.270 12 0 "[ . 1 . 2]" 1
90 1 25 THR MG 1 71 PHE QD . . 3.840 2.273 2.118 3.096 . 0 0 "[ . 1 . 2]" 1
91 1 25 THR MG 1 71 PHE QE . . 4.420 2.769 2.206 3.778 . 0 0 "[ . 1 . 2]" 1
92 1 25 THR MG 1 72 ILE H . . 4.010 2.617 2.005 3.015 . 0 0 "[ . 1 . 2]" 1
93 1 25 THR MG 1 73 GLN HA . . 4.620 3.056 2.250 4.378 . 0 0 "[ . 1 . 2]" 1
94 1 25 THR MG 1 105 ALA H . . 5.500 4.314 3.287 5.118 . 0 0 "[ . 1 . 2]" 1
95 1 25 THR MG 1 105 ALA MB . . 3.700 3.096 2.082 3.819 0.119 9 0 "[ . 1 . 2]" 1
96 1 26 ILE H 1 26 ILE HB . . 3.680 2.400 2.249 2.556 . 0 0 "[ . 1 . 2]" 1
97 1 26 ILE H 1 26 ILE MD . . 4.520 3.593 2.040 4.245 . 0 0 "[ . 1 . 2]" 1
98 1 26 ILE H 1 26 ILE HG13 . . 4.470 3.549 2.733 4.222 . 0 0 "[ . 1 . 2]" 1
99 1 26 ILE H 1 72 ILE H . . 3.970 3.186 2.881 3.619 . 0 0 "[ . 1 . 2]" 1
100 1 26 ILE H 1 72 ILE HA . . 5.500 4.936 4.731 5.232 . 0 0 "[ . 1 . 2]" 1
101 1 26 ILE H 1 72 ILE HB . . 4.560 3.092 2.628 3.566 . 0 0 "[ . 1 . 2]" 1
102 1 26 ILE H 1 73 GLN HA . . 4.510 4.181 3.615 4.566 0.056 13 0 "[ . 1 . 2]" 1
103 1 26 ILE H 1 74 LEU QD . . 4.850 4.169 2.633 4.817 . 0 0 "[ . 1 . 2]" 1
104 1 26 ILE HA 1 26 ILE MD . . 4.190 3.005 2.130 3.865 . 0 0 "[ . 1 . 2]" 1
105 1 26 ILE HA 1 26 ILE MG . . 3.630 2.572 2.459 2.675 . 0 0 "[ . 1 . 2]" 1
106 1 26 ILE HA 1 27 ILE H . . 3.340 2.341 2.154 2.419 . 0 0 "[ . 1 . 2]" 1
107 1 26 ILE HA 1 27 ILE HB . . 5.500 4.217 4.029 4.446 . 0 0 "[ . 1 . 2]" 1
108 1 26 ILE HA 1 27 ILE MG . . 5.490 3.849 3.672 4.121 . 0 0 "[ . 1 . 2]" 1
109 1 26 ILE HA 1 104 PHE HA . . 3.510 2.309 2.004 2.630 . 0 0 "[ . 1 . 2]" 1
110 1 26 ILE HA 1 105 ALA H . . 4.340 2.754 2.283 3.253 . 0 0 "[ . 1 . 2]" 1
111 1 26 ILE HB 1 72 ILE H . . 4.490 3.832 3.516 4.199 . 0 0 "[ . 1 . 2]" 1
112 1 26 ILE HB 1 72 ILE HB . . 3.830 2.087 2.016 2.285 . 0 0 "[ . 1 . 2]" 1
113 1 26 ILE MD 1 79 ALA HA . . 3.790 2.441 2.025 3.363 . 0 0 "[ . 1 . 2]" 1
114 1 26 ILE MD 1 79 ALA MB . . 3.810 2.782 2.219 3.884 0.074 15 0 "[ . 1 . 2]" 1
115 1 26 ILE MD 1 82 LEU H . . 4.370 4.362 3.984 4.469 0.099 5 0 "[ . 1 . 2]" 1
116 1 26 ILE MD 1 83 LEU H . . 3.820 3.472 2.975 3.900 0.080 17 0 "[ . 1 . 2]" 1
117 1 26 ILE MD 1 83 LEU HA . . 4.230 3.949 3.261 4.340 0.110 9 0 "[ . 1 . 2]" 1
118 1 26 ILE MD 1 83 LEU HB3 . . 5.090 4.701 3.654 5.598 0.508 17 1 "[ . 1 . + 2]" 1
119 1 26 ILE MD 1 104 PHE HA . . 4.870 3.900 2.622 4.973 0.103 6 0 "[ . 1 . 2]" 1
120 1 26 ILE MD 1 104 PHE QD . . 4.180 3.549 2.621 4.267 0.087 17 0 "[ . 1 . 2]" 1
121 1 26 ILE HG13 1 79 ALA MB . . 4.190 3.453 2.411 4.268 0.078 16 0 "[ . 1 . 2]" 1
122 1 26 ILE HG13 1 104 PHE HA . . 5.440 4.683 3.491 5.506 0.066 11 0 "[ . 1 . 2]" 1
123 1 26 ILE MG 1 27 ILE H . . 3.460 2.196 1.969 2.598 . 0 0 "[ . 1 . 2]" 1
124 1 26 ILE MG 1 83 LEU HA . . 4.960 4.508 3.694 5.040 0.080 16 0 "[ . 1 . 2]" 1
125 1 26 ILE MG 1 83 LEU QD . . 4.470 3.192 2.120 4.089 . 0 0 "[ . 1 . 2]" 1
126 1 26 ILE MG 1 104 PHE HA . . 5.040 3.327 2.813 3.757 . 0 0 "[ . 1 . 2]" 1
127 1 26 ILE MG 1 104 PHE QD . . 5.500 4.736 3.540 5.576 0.076 8 0 "[ . 1 . 2]" 1
128 1 26 ILE MG 1 105 ALA H . . 5.090 4.654 4.145 5.124 0.034 13 0 "[ . 1 . 2]" 1
129 1 27 ILE H 1 27 ILE HB . . 3.830 3.100 2.852 3.252 . 0 0 "[ . 1 . 2]" 1
130 1 27 ILE H 1 27 ILE MD . . 4.590 4.514 4.249 4.686 0.096 17 0 "[ . 1 . 2]" 1
131 1 27 ILE H 1 27 ILE HG13 . . 5.090 4.641 4.576 4.709 . 0 0 "[ . 1 . 2]" 1
132 1 27 ILE H 1 27 ILE MG . . 3.690 2.367 2.118 2.513 . 0 0 "[ . 1 . 2]" 1
133 1 27 ILE H 1 28 LEU H . . 4.800 4.292 4.034 4.443 . 0 0 "[ . 1 . 2]" 1
134 1 27 ILE H 1 72 ILE HB . . 5.170 5.182 4.573 5.258 0.088 15 0 "[ . 1 . 2]" 1
135 1 27 ILE H 1 103 GLU H . . 5.190 3.968 3.104 5.185 . 0 0 "[ . 1 . 2]" 1
136 1 27 ILE H 1 103 GLU HB3 . . 5.220 4.412 3.530 6.316 1.096 16 1 "[ . 1 .+ 2]" 1
137 1 27 ILE H 1 103 GLU HG3 . . 5.470 5.476 4.247 6.702 1.232 10 4 "[ - .* + * 2]" 1
138 1 27 ILE H 1 104 PHE HA . . 4.190 2.763 2.216 3.571 . 0 0 "[ . 1 . 2]" 1
139 1 27 ILE H 1 104 PHE QD . . 5.500 5.234 4.385 5.583 0.083 10 0 "[ . 1 . 2]" 1
140 1 27 ILE H 1 105 ALA H . . 3.980 3.758 3.006 4.049 0.069 13 0 "[ . 1 . 2]" 1
141 1 27 ILE H 1 105 ALA MB . . 4.630 4.077 3.487 4.712 0.082 9 0 "[ . 1 . 2]" 1
142 1 27 ILE HA 1 27 ILE MD . . 4.060 2.598 2.210 3.430 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE HA 1 27 ILE MG . . 3.550 3.255 3.232 3.276 . 0 0 "[ . 1 . 2]" 1
144 1 27 ILE HA 1 28 LEU H . . 3.180 2.293 2.107 2.491 . 0 0 "[ . 1 . 2]" 1
145 1 27 ILE HA 1 70 ALA H . . 4.560 4.217 3.896 4.339 . 0 0 "[ . 1 . 2]" 1
146 1 27 ILE HA 1 71 PHE HA . . 3.870 2.559 2.236 3.119 . 0 0 "[ . 1 . 2]" 1
147 1 27 ILE HA 1 71 PHE HB3 . . 5.500 5.223 4.845 5.679 0.179 12 0 "[ . 1 . 2]" 1
148 1 27 ILE HA 1 71 PHE QD . . 4.700 3.484 2.724 4.069 . 0 0 "[ . 1 . 2]" 1
149 1 27 ILE HA 1 72 ILE H . . 4.560 3.732 3.483 4.116 . 0 0 "[ . 1 . 2]" 1
150 1 27 ILE HA 1 72 ILE HB . . 5.500 5.095 4.405 5.466 . 0 0 "[ . 1 . 2]" 1
151 1 27 ILE HA 1 72 ILE HG13 . . 4.790 4.268 3.452 4.857 0.067 19 0 "[ . 1 . 2]" 1
152 1 27 ILE HB 1 27 ILE MD . . 3.260 2.178 2.126 2.240 . 0 0 "[ . 1 . 2]" 1
153 1 27 ILE HB 1 28 LEU H . . 4.440 4.183 4.037 4.343 . 0 0 "[ . 1 . 2]" 1
154 1 27 ILE HB 1 71 PHE QD . . 4.470 3.747 3.133 3.979 . 0 0 "[ . 1 . 2]" 1
155 1 27 ILE HB 1 105 ALA H . . 4.740 3.815 3.279 4.429 . 0 0 "[ . 1 . 2]" 1
156 1 27 ILE HB 1 105 ALA MB . . 4.020 2.285 2.024 2.774 . 0 0 "[ . 1 . 2]" 1
157 1 27 ILE MD 1 28 LEU H . . 4.580 3.493 3.156 4.224 . 0 0 "[ . 1 . 2]" 1
158 1 27 ILE MD 1 69 PHE HB3 . . 5.050 4.587 3.862 4.992 . 0 0 "[ . 1 . 2]" 1
159 1 27 ILE MD 1 69 PHE QE . . 3.800 2.765 2.464 3.050 . 0 0 "[ . 1 . 2]" 1
160 1 27 ILE MD 1 71 PHE QD . . 4.550 2.648 1.998 3.233 . 0 0 "[ . 1 . 2]" 1
161 1 27 ILE MD 1 105 ALA H . . 5.390 5.089 4.586 5.479 0.089 10 0 "[ . 1 . 2]" 1
162 1 27 ILE MD 1 105 ALA MB . . 3.890 2.775 2.407 3.030 . 0 0 "[ . 1 . 2]" 1
163 1 27 ILE HG13 1 28 LEU H . . 4.700 2.328 1.943 2.766 . 0 0 "[ . 1 . 2]" 1
164 1 27 ILE HG13 1 69 PHE QE . . 4.800 4.693 3.995 4.879 0.079 15 0 "[ . 1 . 2]" 1
165 1 27 ILE HG13 1 71 PHE QD . . 5.190 4.720 3.670 5.041 . 0 0 "[ . 1 . 2]" 1
166 1 27 ILE MG 1 28 LEU H . . 3.810 3.593 3.122 3.915 0.105 19 0 "[ . 1 . 2]" 1
167 1 27 ILE MG 1 29 ARG HA . . 5.210 5.106 4.656 5.309 0.099 13 0 "[ . 1 . 2]" 1
168 1 27 ILE MG 1 71 PHE QD . . 5.040 5.067 4.586 5.168 0.128 10 0 "[ . 1 . 2]" 1
169 1 27 ILE MG 1 103 GLU HB3 . . 3.900 2.374 1.931 4.278 0.378 16 0 "[ . 1 . 2]" 1
170 1 27 ILE MG 1 103 GLU HG3 . . 4.810 3.221 2.013 4.686 . 0 0 "[ . 1 . 2]" 1
171 1 27 ILE MG 1 104 PHE H . . 5.500 3.433 2.645 4.396 . 0 0 "[ . 1 . 2]" 1
172 1 27 ILE MG 1 105 ALA H . . 4.810 3.477 2.569 4.372 . 0 0 "[ . 1 . 2]" 1
173 1 27 ILE MG 1 105 ALA HA . . 4.290 3.895 3.466 4.380 0.090 10 0 "[ . 1 . 2]" 1
174 1 27 ILE MG 1 105 ALA MB . . 4.180 2.496 2.110 2.882 . 0 0 "[ . 1 . 2]" 1
175 1 28 LEU H 1 28 LEU HB3 . . 4.140 3.730 3.643 3.851 . 0 0 "[ . 1 . 2]" 1
176 1 28 LEU H 1 28 LEU QD . . 4.190 2.529 2.219 3.066 . 0 0 "[ . 1 . 2]" 1
177 1 28 LEU H 1 69 PHE HA . . 5.350 4.353 4.088 4.671 . 0 0 "[ . 1 . 2]" 1
178 1 28 LEU H 1 70 ALA H . . 3.960 2.479 2.250 2.708 . 0 0 "[ . 1 . 2]" 1
179 1 28 LEU H 1 71 PHE HA . . 4.610 3.853 3.433 4.352 . 0 0 "[ . 1 . 2]" 1
180 1 28 LEU H 1 71 PHE QD . . 5.500 5.236 4.591 5.536 0.036 19 0 "[ . 1 . 2]" 1
181 1 28 LEU HA 1 28 LEU QD . . 3.260 2.246 2.133 3.045 . 0 0 "[ . 1 . 2]" 1
182 1 28 LEU HA 1 28 LEU HG . . 4.140 3.650 2.425 3.868 . 0 0 "[ . 1 . 2]" 1
183 1 28 LEU HA 1 29 ARG H . . 3.160 2.319 2.261 2.437 . 0 0 "[ . 1 . 2]" 1
184 1 28 LEU HA 1 100 ILE MG . . 3.800 3.543 3.120 3.885 0.085 8 0 "[ . 1 . 2]" 1
185 1 28 LEU HA 1 101 ASN H . . 5.120 4.772 3.740 5.182 0.062 18 0 "[ . 1 . 2]" 1
186 1 28 LEU HB3 1 28 LEU QD . . 3.220 2.382 2.140 2.533 . 0 0 "[ . 1 . 2]" 1
187 1 28 LEU HB3 1 29 ARG H . . 4.420 2.793 2.446 3.283 . 0 0 "[ . 1 . 2]" 1
188 1 28 LEU HB3 1 100 ILE MG . . 4.170 2.458 2.025 2.874 . 0 0 "[ . 1 . 2]" 1
189 1 28 LEU QD 1 29 ARG H . . 3.900 3.559 3.331 3.867 . 0 0 "[ . 1 . 2]" 1
190 1 28 LEU QD 1 69 PHE HA . . 5.500 4.906 4.677 5.213 . 0 0 "[ . 1 . 2]" 1
191 1 28 LEU QD 1 70 ALA H . . 4.880 3.452 3.259 3.914 . 0 0 "[ . 1 . 2]" 1
192 1 28 LEU QD 1 70 ALA MB . . 3.140 2.134 1.975 2.467 . 0 0 "[ . 1 . 2]" 1
193 1 28 LEU QD 1 71 PHE HA . . 5.500 3.526 3.108 4.738 . 0 0 "[ . 1 . 2]" 1
194 1 28 LEU QD 1 72 ILE H . . 5.500 4.020 3.706 4.832 . 0 0 "[ . 1 . 2]" 1
195 1 28 LEU QD 1 72 ILE HB . . 4.020 3.779 3.107 4.004 . 0 0 "[ . 1 . 2]" 1
196 1 28 LEU QD 1 100 ILE MG . . 3.280 2.110 1.910 2.493 . 0 0 "[ . 1 . 2]" 1
197 1 29 ARG H 1 29 ARG HB3 . . 4.110 3.876 3.732 3.983 . 0 0 "[ . 1 . 2]" 1
198 1 29 ARG H 1 29 ARG HG3 . . 4.030 3.176 2.772 3.678 . 0 0 "[ . 1 . 2]" 1
199 1 29 ARG H 1 30 ASN H . . 5.150 4.397 4.306 4.507 . 0 0 "[ . 1 . 2]" 1
200 1 29 ARG H 1 31 LEU HG . . 5.500 4.459 3.649 5.531 0.031 14 0 "[ . 1 . 2]" 1
201 1 29 ARG H 1 100 ILE HA . . 5.060 4.494 4.018 5.129 0.069 18 0 "[ . 1 . 2]" 1
202 1 29 ARG H 1 100 ILE MG . . 3.980 3.200 2.684 3.709 . 0 0 "[ . 1 . 2]" 1
203 1 29 ARG H 1 101 ASN H . . 4.040 2.992 2.403 3.531 . 0 0 "[ . 1 . 2]" 1
204 1 29 ARG H 1 101 ASN HB3 . . 4.540 3.522 2.913 4.363 . 0 0 "[ . 1 . 2]" 1
205 1 29 ARG HA 1 30 ASN H . . 3.370 2.480 2.240 2.721 . 0 0 "[ . 1 . 2]" 1
206 1 29 ARG HA 1 31 LEU H . . 4.350 3.772 3.211 4.375 0.025 2 0 "[ . 1 . 2]" 1
207 1 29 ARG HA 1 31 LEU QD . . 5.240 3.219 2.114 4.080 . 0 0 "[ . 1 . 2]" 1
208 1 29 ARG HA 1 69 PHE HA . . 3.880 2.773 2.368 3.094 . 0 0 "[ . 1 . 2]" 1
209 1 29 ARG HA 1 69 PHE HB3 . . 4.330 3.738 3.495 4.221 . 0 0 "[ . 1 . 2]" 1
210 1 29 ARG HA 1 70 ALA H . . 4.660 4.459 4.077 4.686 0.026 18 0 "[ . 1 . 2]" 1
211 1 29 ARG HB3 1 30 ASN H . . 3.790 2.371 2.034 2.812 . 0 0 "[ . 1 . 2]" 1
212 1 29 ARG HB3 1 30 ASN HA . . 4.690 4.276 4.041 4.542 . 0 0 "[ . 1 . 2]" 1
213 1 29 ARG HB3 1 30 ASN HB3 . . 4.860 4.848 4.365 5.144 0.284 15 0 "[ . 1 . 2]" 1
214 1 29 ARG HB3 1 31 LEU H . . 5.230 4.966 4.568 5.290 0.060 4 0 "[ . 1 . 2]" 1
215 1 29 ARG HB3 1 101 ASN HB3 . . 4.830 4.032 3.668 4.891 0.061 8 0 "[ . 1 . 2]" 1
216 1 29 ARG HB3 1 101 ASN HD21 . . 5.240 4.739 3.671 5.301 0.061 16 0 "[ . 1 . 2]" 1
217 1 30 ASN H 1 31 LEU H . . 3.570 2.783 2.454 3.073 . 0 0 "[ . 1 . 2]" 1
218 1 30 ASN H 1 31 LEU QD . . 5.260 3.830 2.946 4.812 . 0 0 "[ . 1 . 2]" 1
219 1 30 ASN H 1 31 LEU HG . . 5.500 4.698 3.824 5.582 0.082 14 0 "[ . 1 . 2]" 1
220 1 30 ASN H 1 69 PHE HA . . 4.810 4.531 4.001 4.878 0.068 16 0 "[ . 1 . 2]" 1
221 1 30 ASN HA 1 30 ASN HD21 . . 4.590 4.225 3.551 4.434 . 0 0 "[ . 1 . 2]" 1
222 1 30 ASN HA 1 30 ASN HD22 . . 5.240 4.507 4.149 4.718 . 0 0 "[ . 1 . 2]" 1
223 1 30 ASN HB3 1 31 LEU H . . 5.490 4.291 3.735 4.537 . 0 0 "[ . 1 . 2]" 1
224 1 30 ASN HD21 1 31 LEU HA . . 5.500 5.148 4.171 5.565 0.065 6 0 "[ . 1 . 2]" 1
225 1 30 ASN HD21 1 99 THR H . . 4.750 2.819 1.902 3.343 . 0 0 "[ . 1 . 2]" 1
226 1 30 ASN HD21 1 99 THR MG . . 5.500 4.984 4.381 5.572 0.072 2 0 "[ . 1 . 2]" 1
227 1 30 ASN HD21 1 100 ILE MD . . 5.500 4.537 3.940 5.200 . 0 0 "[ . 1 . 2]" 1
228 1 30 ASN HD22 1 98 LYS HA . . 5.500 3.524 2.639 4.634 . 0 0 "[ . 1 . 2]" 1
229 1 30 ASN HD22 1 98 LYS HD3 . . 5.320 4.167 2.342 5.489 0.169 17 0 "[ . 1 . 2]" 1
230 1 30 ASN HD22 1 99 THR H . . 5.070 2.945 2.159 3.452 . 0 0 "[ . 1 . 2]" 1
231 1 31 LEU H 1 31 LEU HB3 . . 3.640 3.709 3.569 3.822 0.182 4 0 "[ . 1 . 2]" 1
232 1 31 LEU H 1 31 LEU QD . . 4.250 2.690 1.656 3.668 . 0 0 "[ . 1 . 2]" 1
233 1 31 LEU H 1 31 LEU HG . . 3.710 3.113 2.040 3.794 0.084 12 0 "[ . 1 . 2]" 1
234 1 31 LEU H 1 32 ASN H . . 5.300 4.509 4.317 4.728 . 0 0 "[ . 1 . 2]" 1
235 1 31 LEU H 1 68 GLY H . . 5.500 5.237 4.651 5.567 0.067 19 0 "[ . 1 . 2]" 1
236 1 31 LEU H 1 68 GLY HA2 . . 4.930 3.125 2.465 3.593 . 0 0 "[ . 1 . 2]" 1
237 1 31 LEU H 1 68 GLY HA3 . . 4.230 3.888 3.447 4.313 0.083 17 0 "[ . 1 . 2]" 1
238 1 31 LEU H 1 69 PHE HA . . 4.830 4.176 3.456 4.889 0.059 15 0 "[ . 1 . 2]" 1
239 1 31 LEU H 1 100 ILE MD . . 5.480 4.934 4.351 5.562 0.082 15 0 "[ . 1 . 2]" 1
240 1 31 LEU HA 1 31 LEU QD . . 3.380 2.522 2.057 3.229 . 0 0 "[ . 1 . 2]" 1
241 1 31 LEU HA 1 32 ASN H . . 3.490 2.433 2.218 2.836 . 0 0 "[ . 1 . 2]" 1
242 1 31 LEU HA 1 32 ASN HB3 . . 4.550 5.254 3.829 5.625 1.075 15 17 "[ ** ****-*****+** **]" 1
243 1 31 LEU HA 1 98 LYS HD3 . . 5.340 5.427 3.252 6.584 1.244 19 10 "[ ** -* **.** +*]" 1
244 1 31 LEU HA 1 100 ILE MD . . 3.750 3.134 2.485 3.607 . 0 0 "[ . 1 . 2]" 1
245 1 31 LEU HA 1 100 ILE MG . . 5.090 4.687 4.101 5.183 0.093 4 0 "[ . 1 . 2]" 1
246 1 31 LEU HB3 1 32 ASN H . . 4.930 2.486 1.967 3.415 . 0 0 "[ . 1 . 2]" 1
247 1 31 LEU HB3 1 68 GLY HA2 . . 4.440 3.815 3.386 4.448 0.008 16 0 "[ . 1 . 2]" 1
248 1 31 LEU QD 1 32 ASN H . . 4.300 3.590 3.181 3.850 . 0 0 "[ . 1 . 2]" 1
249 1 31 LEU QD 1 66 ASN HB3 . . 5.500 3.974 3.174 5.094 . 0 0 "[ . 1 . 2]" 1
250 1 31 LEU QD 1 66 ASN HD21 . . 5.430 4.257 2.694 5.136 . 0 0 "[ . 1 . 2]" 1
251 1 31 LEU QD 1 66 ASN HD22 . . 5.500 4.625 3.193 5.336 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU QD 1 68 GLY H . . 4.970 4.268 3.432 4.680 . 0 0 "[ . 1 . 2]" 1
253 1 31 LEU QD 1 69 PHE H . . 4.840 3.255 2.748 3.597 . 0 0 "[ . 1 . 2]" 1
254 1 31 LEU QD 1 69 PHE HA . . 3.920 2.306 1.929 2.859 . 0 0 "[ . 1 . 2]" 1
255 1 31 LEU QD 1 69 PHE HB3 . . 5.140 4.261 3.671 4.820 . 0 0 "[ . 1 . 2]" 1
256 1 31 LEU QD 1 70 ALA H . . 4.170 3.090 2.787 3.393 . 0 0 "[ . 1 . 2]" 1
257 1 31 LEU QD 1 70 ALA HA . . 5.500 3.964 3.749 4.355 . 0 0 "[ . 1 . 2]" 1
258 1 31 LEU QD 1 70 ALA MB . . 3.310 2.323 2.091 2.564 . 0 0 "[ . 1 . 2]" 1
259 1 31 LEU QD 1 71 PHE H . . 5.500 5.220 4.958 5.446 . 0 0 "[ . 1 . 2]" 1
260 1 31 LEU QD 1 100 ILE HA . . 4.570 3.082 2.452 4.074 . 0 0 "[ . 1 . 2]" 1
261 1 31 LEU HG 1 69 PHE HA . . 4.540 3.837 2.669 4.632 0.092 11 0 "[ . 1 . 2]" 1
262 1 32 ASN H 1 32 ASN HB3 . . 3.850 3.236 2.610 3.618 . 0 0 "[ . 1 . 2]" 1
263 1 32 ASN H 1 32 ASN QD . . 5.360 4.769 3.863 5.114 . 0 0 "[ . 1 . 2]" 1
264 1 32 ASN H 1 35 SER H . . 5.500 3.562 3.208 4.139 . 0 0 "[ . 1 . 2]" 1
265 1 32 ASN H 1 35 SER HA . . 4.480 4.561 4.539 4.581 0.101 11 0 "[ . 1 . 2]" 1
266 1 32 ASN H 1 98 LYS HG3 . . 5.000 4.366 3.325 6.177 1.177 7 1 "[ . + 1 . 2]" 1
267 1 32 ASN H 1 100 ILE MD . . 4.720 4.389 3.899 4.838 0.118 1 0 "[ . 1 . 2]" 1
268 1 32 ASN HA 1 33 PRO HD3 . . 3.320 2.518 2.192 2.762 . 0 0 "[ . 1 . 2]" 1
269 1 32 ASN HA 1 34 HIS H . . 5.070 4.322 3.920 4.693 . 0 0 "[ . 1 . 2]" 1
270 1 32 ASN HB3 1 33 PRO HD3 . . 5.300 4.043 3.655 4.756 . 0 0 "[ . 1 . 2]" 1
271 1 32 ASN HB3 1 34 HIS H . . 5.500 2.888 2.214 4.559 . 0 0 "[ . 1 . 2]" 1
272 1 32 ASN HB3 1 35 SER H . . 4.490 3.554 2.567 4.587 0.097 4 0 "[ . 1 . 2]" 1
273 1 32 ASN HB3 1 98 LYS HG3 . . 4.090 3.971 2.017 5.560 1.470 3 5 "[ + . *- 1* * 2]" 1
274 1 32 ASN QD 1 34 HIS H . . 5.500 3.936 2.696 4.653 . 0 0 "[ . 1 . 2]" 1
275 1 32 ASN QD 1 96 ASP HA . . 5.500 4.557 4.290 5.010 . 0 0 "[ . 1 . 2]" 1
276 1 32 ASN QD 1 96 ASP HB3 . . 4.450 2.618 1.849 3.601 . 0 0 "[ . 1 . 2]" 1
277 1 32 ASN QD 1 98 LYS HB3 . . 5.500 5.011 3.517 5.828 0.328 2 0 "[ . 1 . 2]" 1
278 1 32 ASN QD 1 98 LYS HG3 . . 4.970 3.335 2.384 4.653 . 0 0 "[ . 1 . 2]" 1
279 1 33 PRO HA 1 35 SER H . . 4.850 4.012 3.646 4.412 . 0 0 "[ . 1 . 2]" 1
280 1 33 PRO HA 1 65 LEU QD . . 5.260 3.772 3.527 4.171 . 0 0 "[ . 1 . 2]" 1
281 1 33 PRO HA 1 66 ASN H . . 3.980 2.479 2.080 3.253 . 0 0 "[ . 1 . 2]" 1
282 1 33 PRO HA 1 66 ASN HD21 . . 4.050 3.376 2.517 4.129 0.079 17 0 "[ . 1 . 2]" 1
283 1 33 PRO HA 1 66 ASN HD22 . . 4.760 4.564 3.338 4.835 0.075 18 0 "[ . 1 . 2]" 1
284 1 33 PRO HB3 1 34 HIS H . . 4.360 4.301 4.023 4.548 0.188 14 0 "[ . 1 . 2]" 1
285 1 33 PRO HB3 1 35 SER H . . 5.500 5.839 5.508 6.098 0.598 18 5 "[* *. 1 -*. + 2]" 1
286 1 33 PRO HB3 1 65 LEU QD . . 4.180 2.725 2.197 3.243 . 0 0 "[ . 1 . 2]" 1
287 1 33 PRO HD3 1 34 HIS H . . 4.930 4.094 3.869 4.306 . 0 0 "[ . 1 . 2]" 1
288 1 33 PRO HG3 1 34 HIS H . . 5.500 4.353 4.001 4.808 . 0 0 "[ . 1 . 2]" 1
289 1 34 HIS H 1 34 HIS HB3 . . 3.430 3.554 3.392 3.648 0.218 13 0 "[ . 1 . 2]" 1
290 1 34 HIS H 1 34 HIS HD2 . . 3.950 2.920 2.436 3.769 . 0 0 "[ . 1 . 2]" 1
291 1 34 HIS H 1 35 SER H . . 3.360 2.747 2.324 3.052 . 0 0 "[ . 1 . 2]" 1
292 1 34 HIS H 1 65 LEU QD . . 5.270 4.127 3.573 4.598 . 0 0 "[ . 1 . 2]" 1
293 1 34 HIS H 1 66 ASN HD21 . . 5.240 4.252 3.386 5.609 0.369 17 0 "[ . 1 . 2]" 1
294 1 34 HIS HA 1 35 SER H . . 3.570 3.333 3.072 3.564 . 0 0 "[ . 1 . 2]" 1
295 1 34 HIS HA 1 65 LEU QD . . 3.840 3.487 2.924 3.870 0.030 13 0 "[ . 1 . 2]" 1
296 1 34 HIS HB3 1 35 SER H . . 4.650 4.390 4.087 4.496 . 0 0 "[ . 1 . 2]" 1
297 1 34 HIS HB3 1 35 SER HA . . 5.070 4.631 4.375 4.676 . 0 0 "[ . 1 . 2]" 1
298 1 34 HIS HB3 1 65 LEU QD . . 5.300 4.872 4.342 5.305 0.005 7 0 "[ . 1 . 2]" 1
299 1 34 HIS HD2 1 65 LEU QD . . 4.100 3.563 2.574 4.044 . 0 0 "[ . 1 . 2]" 1
300 1 34 HIS HE1 1 65 LEU QD . . 3.710 3.136 2.168 3.761 0.051 16 0 "[ . 1 . 2]" 1
301 1 35 SER H 1 35 SER HB3 . . 3.510 2.921 2.260 3.690 0.180 19 0 "[ . 1 . 2]" 1
302 1 35 SER H 1 36 THR H . . 4.440 4.526 4.506 4.537 0.097 8 0 "[ . 1 . 2]" 1
303 1 35 SER H 1 66 ASN HD21 . . 3.850 2.377 1.980 3.348 . 0 0 "[ . 1 . 2]" 1
304 1 35 SER H 1 66 ASN HD22 . . 4.670 3.040 2.475 4.104 . 0 0 "[ . 1 . 2]" 1
305 1 35 SER H 1 95 ILE MG . . 5.340 3.497 3.134 4.056 . 0 0 "[ . 1 . 2]" 1
306 1 35 SER HA 1 93 LEU QD . . 4.960 4.438 3.325 4.991 0.031 11 0 "[ . 1 . 2]" 1
307 1 35 SER HA 1 95 ILE HB . . 3.740 3.696 3.353 3.830 0.090 18 0 "[ . 1 . 2]" 1
308 1 35 SER HA 1 95 ILE MD . . 4.740 4.314 2.459 4.844 0.104 14 0 "[ . 1 . 2]" 1
309 1 35 SER HA 1 95 ILE MG . . 3.260 2.269 1.896 3.002 . 0 0 "[ . 1 . 2]" 1
310 1 35 SER HB3 1 36 THR H . . 4.700 3.304 2.317 4.006 . 0 0 "[ . 1 . 2]" 1
311 1 35 SER HB3 1 66 ASN HD21 . . 4.660 3.781 2.160 5.202 0.542 3 1 "[ + . 1 . 2]" 1
312 1 35 SER HB3 1 66 ASN HD22 . . 4.870 4.171 2.553 4.956 0.086 3 0 "[ . 1 . 2]" 1
313 1 35 SER HB3 1 95 ILE MG . . 4.940 3.124 2.120 4.160 . 0 0 "[ . 1 . 2]" 1
314 1 36 THR H 1 36 THR MG . . 3.710 3.175 2.556 3.523 . 0 0 "[ . 1 . 2]" 1
315 1 36 THR H 1 37 MET H . . 5.500 4.547 4.418 4.695 . 0 0 "[ . 1 . 2]" 1
316 1 36 THR H 1 39 SER H . . 4.410 4.277 3.756 4.480 0.070 4 0 "[ . 1 . 2]" 1
317 1 36 THR H 1 40 ILE MD . . 5.500 4.978 4.160 5.577 0.077 18 0 "[ . 1 . 2]" 1
318 1 36 THR H 1 95 ILE MG . . 5.320 3.897 2.747 4.937 . 0 0 "[ . 1 . 2]" 1
319 1 36 THR HA 1 36 THR MG . . 3.160 2.211 2.145 2.315 . 0 0 "[ . 1 . 2]" 1
320 1 36 THR HA 1 37 MET H . . 3.200 2.335 2.230 2.509 . 0 0 "[ . 1 . 2]" 1
321 1 36 THR HA 1 37 MET HA . . 5.340 4.330 4.119 4.520 . 0 0 "[ . 1 . 2]" 1
322 1 36 THR HA 1 37 MET HB3 . . 5.190 4.329 4.021 4.771 . 0 0 "[ . 1 . 2]" 1
323 1 36 THR HA 1 38 ASP H . . 4.440 4.062 3.684 4.410 . 0 0 "[ . 1 . 2]" 1
324 1 36 THR HA 1 40 ILE MD . . 5.270 5.223 4.636 5.379 0.109 13 0 "[ . 1 . 2]" 1
325 1 36 THR HB 1 37 MET H . . 3.250 2.651 2.039 3.172 . 0 0 "[ . 1 . 2]" 1
326 1 36 THR HB 1 37 MET HB3 . . 4.890 4.476 3.665 4.960 0.070 10 0 "[ . 1 . 2]" 1
327 1 36 THR HB 1 38 ASP H . . 3.560 2.389 1.906 2.709 . 0 0 "[ . 1 . 2]" 1
328 1 36 THR MG 1 37 MET H . . 3.830 3.315 3.031 3.632 . 0 0 "[ . 1 . 2]" 1
329 1 36 THR MG 1 37 MET HB3 . . 4.870 4.930 4.685 4.974 0.104 15 0 "[ . 1 . 2]" 1
330 1 36 THR MG 1 38 ASP H . . 4.160 3.992 3.618 4.264 0.104 14 0 "[ . 1 . 2]" 1
331 1 36 THR MG 1 39 SER H . . 5.420 5.095 4.451 5.490 0.070 12 0 "[ . 1 . 2]" 1
332 1 37 MET H 1 37 MET HB3 . . 3.850 2.221 2.088 2.441 . 0 0 "[ . 1 . 2]" 1
333 1 37 MET H 1 37 MET ME . . 4.290 4.334 4.187 4.391 0.101 7 0 "[ . 1 . 2]" 1
334 1 37 MET H 1 37 MET HG3 . . 4.420 4.129 3.626 4.433 0.013 9 0 "[ . 1 . 2]" 1
335 1 37 MET H 1 38 ASP H . . 3.710 2.636 2.459 2.923 . 0 0 "[ . 1 . 2]" 1
336 1 37 MET H 1 39 SER H . . 5.150 4.644 4.288 5.064 . 0 0 "[ . 1 . 2]" 1
337 1 37 MET H 1 40 ILE MD . . 5.500 4.478 4.135 4.746 . 0 0 "[ . 1 . 2]" 1
338 1 37 MET H 1 57 VAL QG . . 4.340 3.328 2.796 3.896 . 0 0 "[ . 1 . 2]" 1
339 1 37 MET HA 1 37 MET HG3 . . 3.980 3.370 2.505 3.860 . 0 0 "[ . 1 . 2]" 1
340 1 37 MET HA 1 40 ILE MD . . 3.850 2.241 1.962 2.527 . 0 0 "[ . 1 . 2]" 1
341 1 37 MET HA 1 55 VAL QG . . 4.840 3.176 2.465 3.771 . 0 0 "[ . 1 . 2]" 1
342 1 37 MET HA 1 57 VAL QG . . 3.680 3.089 2.217 3.653 . 0 0 "[ . 1 . 2]" 1
343 1 37 MET HB3 1 38 ASP H . . 4.120 3.471 2.536 4.097 . 0 0 "[ . 1 . 2]" 1
344 1 37 MET HB3 1 40 ILE MD . . 4.970 4.429 3.735 5.040 0.070 1 0 "[ . 1 . 2]" 1
345 1 37 MET HB3 1 57 VAL QG . . 5.150 2.968 2.095 4.403 . 0 0 "[ . 1 . 2]" 1
346 1 37 MET ME 1 37 MET HG3 . . 3.470 2.620 2.315 3.396 . 0 0 "[ . 1 . 2]" 1
347 1 37 MET ME 1 41 LEU MD2 . . 4.700 4.266 3.418 4.769 0.069 19 0 "[ . 1 . 2]" 1
348 1 37 MET ME 1 52 SER HA . . 3.470 2.848 2.249 3.559 0.089 9 0 "[ . 1 . 2]" 1
349 1 37 MET ME 1 52 SER HB3 . . 3.440 3.415 2.592 4.634 1.194 9 4 "[ . +1 *-. *2]" 1
350 1 37 MET ME 1 55 VAL H . . 4.260 4.132 3.835 4.353 0.093 5 0 "[ . 1 . 2]" 1
351 1 37 MET ME 1 55 VAL HA . . 4.690 4.609 4.186 4.796 0.106 20 0 "[ . 1 . 2]" 1
352 1 37 MET ME 1 55 VAL QG . . 4.060 2.172 1.768 2.776 . 0 0 "[ . 1 . 2]" 1
353 1 37 MET ME 1 56 ARG HA . . 3.920 3.476 2.716 4.012 0.092 15 0 "[ . 1 . 2]" 1
354 1 37 MET ME 1 57 VAL H . . 3.950 3.592 3.084 4.032 0.082 1 0 "[ . 1 . 2]" 1
355 1 37 MET ME 1 57 VAL QG . . 3.130 2.598 2.094 3.208 0.078 2 0 "[ . 1 . 2]" 1
356 1 37 MET HG3 1 38 ASP H . . 4.540 3.867 3.284 4.560 0.020 3 0 "[ . 1 . 2]" 1
357 1 37 MET HG3 1 38 ASP HA . . 3.260 3.793 3.235 4.670 1.410 19 7 "[* * . * *1 *.- +2]" 1
358 1 37 MET HG3 1 40 ILE H . . 5.500 4.990 4.385 5.540 0.040 10 0 "[ . 1 . 2]" 1
359 1 37 MET HG3 1 41 LEU H . . 5.490 4.325 3.518 5.016 . 0 0 "[ . 1 . 2]" 1
360 1 37 MET HG3 1 41 LEU MD1 . . 4.030 2.619 2.135 3.659 . 0 0 "[ . 1 . 2]" 1
361 1 37 MET HG3 1 41 LEU HG . . 4.770 3.266 2.484 5.013 0.243 14 0 "[ . 1 . 2]" 1
362 1 37 MET HG3 1 52 SER HB3 . . 5.000 4.317 3.313 5.914 0.914 9 1 "[ . +1 . 2]" 1
363 1 37 MET HG3 1 55 VAL QG . . 5.070 2.749 1.970 4.077 . 0 0 "[ . 1 . 2]" 1
364 1 38 ASP H 1 41 LEU H . . 5.500 4.914 4.729 5.231 . 0 0 "[ . 1 . 2]" 1
365 1 38 ASP HA 1 40 ILE HB . . 5.500 5.019 4.384 5.504 0.004 1 0 "[ . 1 . 2]" 1
366 1 38 ASP HA 1 41 LEU H . . 4.120 3.111 2.651 3.508 . 0 0 "[ . 1 . 2]" 1
367 1 38 ASP HA 1 41 LEU HB3 . . 4.180 4.099 3.920 4.247 0.067 13 0 "[ . 1 . 2]" 1
368 1 38 ASP HA 1 41 LEU MD1 . . 4.030 2.899 2.383 3.567 . 0 0 "[ . 1 . 2]" 1
369 1 38 ASP HA 1 41 LEU MD2 . . 5.500 4.718 3.409 5.254 . 0 0 "[ . 1 . 2]" 1
370 1 38 ASP HB3 1 93 LEU QD . . 5.440 3.129 2.299 4.665 . 0 0 "[ . 1 . 2]" 1
371 1 39 SER H 1 39 SER HB3 . . 3.990 2.829 2.542 3.523 . 0 0 "[ . 1 . 2]" 1
372 1 39 SER H 1 40 ILE HA . . 5.410 5.454 5.361 5.508 0.098 5 0 "[ . 1 . 2]" 1
373 1 39 SER H 1 40 ILE HB . . 5.320 5.135 4.805 5.375 0.055 14 0 "[ . 1 . 2]" 1
374 1 39 SER H 1 93 LEU HB3 . . 4.850 4.144 3.433 4.910 0.060 3 0 "[ . 1 . 2]" 1
375 1 39 SER H 1 93 LEU QD . . 4.320 3.180 1.779 3.929 . 0 0 "[ . 1 . 2]" 1
376 1 39 SER H 1 93 LEU HG . . 4.990 3.596 2.645 5.080 0.090 17 0 "[ . 1 . 2]" 1
377 1 40 ILE H 1 40 ILE HB . . 3.240 2.491 2.399 2.641 . 0 0 "[ . 1 . 2]" 1
378 1 40 ILE H 1 40 ILE MD . . 4.020 2.065 1.720 2.745 . 0 0 "[ . 1 . 2]" 1
379 1 40 ILE H 1 40 ILE HG13 . . 4.430 3.124 2.328 3.533 . 0 0 "[ . 1 . 2]" 1
380 1 40 ILE H 1 40 ILE MG . . 4.080 3.781 3.742 3.840 . 0 0 "[ . 1 . 2]" 1
381 1 40 ILE H 1 41 LEU H . . 3.580 2.447 2.125 2.812 . 0 0 "[ . 1 . 2]" 1
382 1 40 ILE H 1 42 GLY H . . 4.710 4.095 3.543 4.668 . 0 0 "[ . 1 . 2]" 1
383 1 40 ILE H 1 43 ALA H . . 5.500 4.926 4.303 5.579 0.079 9 0 "[ . 1 . 2]" 1
384 1 40 ILE HA 1 40 ILE MD . . 3.870 3.534 3.278 3.916 0.046 18 0 "[ . 1 . 2]" 1
385 1 40 ILE HA 1 40 ILE HG13 . . 4.160 2.485 2.414 2.669 . 0 0 "[ . 1 . 2]" 1
386 1 40 ILE HA 1 40 ILE MG . . 3.360 2.428 2.275 2.536 . 0 0 "[ . 1 . 2]" 1
387 1 40 ILE HA 1 43 ALA H . . 4.280 3.786 3.416 4.329 0.049 7 0 "[ . 1 . 2]" 1
388 1 40 ILE HA 1 43 ALA MB . . 3.950 3.072 2.372 4.019 0.069 7 0 "[ . 1 . 2]" 1
389 1 40 ILE HA 1 44 LEU H . . 5.270 4.367 3.998 5.196 . 0 0 "[ . 1 . 2]" 1
390 1 40 ILE HA 1 44 LEU QD . . 5.120 3.002 2.306 4.049 . 0 0 "[ . 1 . 2]" 1
391 1 40 ILE HB 1 41 LEU H . . 3.810 2.572 2.135 3.556 . 0 0 "[ . 1 . 2]" 1
392 1 40 ILE MD 1 41 LEU H . . 5.330 3.768 3.538 4.195 . 0 0 "[ . 1 . 2]" 1
393 1 40 ILE HG13 1 41 LEU H . . 5.420 4.758 4.433 4.891 . 0 0 "[ . 1 . 2]" 1
394 1 40 ILE MG 1 41 LEU H . . 4.120 3.467 2.984 4.185 0.065 9 0 "[ . 1 . 2]" 1
395 1 40 ILE MG 1 41 LEU HA . . 4.360 3.557 3.011 4.265 . 0 0 "[ . 1 . 2]" 1
396 1 40 ILE MG 1 55 VAL H . . 5.500 5.292 4.669 5.592 0.092 20 0 "[ . 1 . 2]" 1
397 1 41 LEU H 1 41 LEU HB3 . . 3.800 3.622 3.541 3.750 . 0 0 "[ . 1 . 2]" 1
398 1 41 LEU H 1 41 LEU MD1 . . 3.980 3.514 1.952 4.046 0.066 9 0 "[ . 1 . 2]" 1
399 1 41 LEU H 1 41 LEU MD2 . . 3.710 3.578 3.254 4.010 0.300 7 0 "[ . 1 . 2]" 1
400 1 41 LEU H 1 41 LEU HG . . 3.620 2.566 2.146 3.697 0.077 14 0 "[ . 1 . 2]" 1
401 1 41 LEU H 1 42 GLY H . . 3.760 2.835 2.101 3.149 . 0 0 "[ . 1 . 2]" 1
402 1 41 LEU H 1 42 GLY QA . . 5.260 4.663 4.014 4.919 . 0 0 "[ . 1 . 2]" 1
403 1 41 LEU H 1 43 ALA H . . 4.910 4.222 3.814 4.555 . 0 0 "[ . 1 . 2]" 1
404 1 41 LEU H 1 44 LEU QD . . 5.500 4.837 4.472 5.358 . 0 0 "[ . 1 . 2]" 1
405 1 41 LEU HA 1 41 LEU MD1 . . 3.730 3.716 2.545 3.831 0.101 16 0 "[ . 1 . 2]" 1
406 1 41 LEU HA 1 41 LEU MD2 . . 3.080 2.257 2.036 3.775 0.695 14 2 "[ . - 1 +. 2]" 1
407 1 41 LEU HA 1 43 ALA H . . 4.320 4.157 3.753 4.398 0.078 8 0 "[ . 1 . 2]" 1
408 1 41 LEU HA 1 44 LEU H . . 4.110 3.822 3.497 4.191 0.081 9 0 "[ . 1 . 2]" 1
409 1 41 LEU HA 1 45 ALA H . . 5.200 4.209 3.462 4.954 . 0 0 "[ . 1 . 2]" 1
410 1 41 LEU HB3 1 41 LEU MD1 . . 3.650 2.474 2.336 3.242 . 0 0 "[ . 1 . 2]" 1
411 1 41 LEU HB3 1 42 GLY H . . 4.350 3.540 3.123 4.295 . 0 0 "[ . 1 . 2]" 1
412 1 41 LEU MD1 1 42 GLY H . . 5.170 4.568 4.022 5.268 0.098 9 0 "[ . 1 . 2]" 1
413 1 41 LEU MD1 1 51 SER HA . . 3.960 3.880 3.230 4.614 0.654 14 2 "[ . - 1 +. 2]" 1
414 1 41 LEU MD1 1 52 SER H . . 4.130 3.440 2.975 4.421 0.291 7 0 "[ . 1 . 2]" 1
415 1 41 LEU MD1 1 52 SER HA . . 3.370 2.727 2.241 3.233 . 0 0 "[ . 1 . 2]" 1
416 1 41 LEU MD1 1 52 SER HB3 . . 4.110 2.476 2.013 3.439 . 0 0 "[ . 1 . 2]" 1
417 1 41 LEU MD2 1 42 GLY H . . 5.080 4.743 4.560 4.856 . 0 0 "[ . 1 . 2]" 1
418 1 41 LEU MD2 1 51 SER HA . . 4.540 2.790 2.112 3.685 . 0 0 "[ . 1 . 2]" 1
419 1 41 LEU MD2 1 52 SER H . . 5.070 3.426 2.959 4.117 . 0 0 "[ . 1 . 2]" 1
420 1 41 LEU MD2 1 52 SER HA . . 4.100 2.867 2.320 3.268 . 0 0 "[ . 1 . 2]" 1
421 1 41 LEU MD2 1 53 SER H . . 5.500 4.887 4.513 5.355 . 0 0 "[ . 1 . 2]" 1
422 1 42 GLY H 1 43 ALA H . . 3.590 2.739 2.335 3.112 . 0 0 "[ . 1 . 2]" 1
423 1 42 GLY H 1 43 ALA MB . . 4.920 4.430 4.022 4.863 . 0 0 "[ . 1 . 2]" 1
424 1 42 GLY H 1 45 ALA H . . 5.500 5.025 4.860 5.257 . 0 0 "[ . 1 . 2]" 1
425 1 42 GLY QA 1 43 ALA H . . 3.470 2.931 2.823 3.044 . 0 0 "[ . 1 . 2]" 1
426 1 42 GLY QA 1 43 ALA HA . . 4.510 4.088 3.905 4.160 . 0 0 "[ . 1 . 2]" 1
427 1 42 GLY QA 1 43 ALA MB . . 5.420 4.260 4.100 4.373 . 0 0 "[ . 1 . 2]" 1
428 1 42 GLY QA 1 45 ALA H . . 4.210 3.713 3.271 4.267 0.057 9 0 "[ . 1 . 2]" 1
429 1 42 GLY QA 1 45 ALA MB . . 3.580 3.011 2.211 3.661 0.081 2 0 "[ . 1 . 2]" 1
430 1 43 ALA H 1 43 ALA MB . . 3.040 2.345 2.166 2.694 . 0 0 "[ . 1 . 2]" 1
431 1 43 ALA H 1 44 LEU QD . . 5.180 3.608 2.733 4.428 . 0 0 "[ . 1 . 2]" 1
432 1 43 ALA H 1 45 ALA H . . 4.270 3.799 3.222 4.306 0.036 2 0 "[ . 1 . 2]" 1
433 1 43 ALA HA 1 44 LEU QD . . 5.010 3.834 3.619 4.347 . 0 0 "[ . 1 . 2]" 1
434 1 43 ALA HA 1 45 ALA H . . 4.760 4.489 4.115 4.833 0.073 4 0 "[ . 1 . 2]" 1
435 1 43 ALA HA 1 89 LEU QD . . 4.870 3.445 2.841 4.511 . 0 0 "[ . 1 . 2]" 1
436 1 43 ALA MB 1 44 LEU H . . 3.640 2.687 2.328 3.093 . 0 0 "[ . 1 . 2]" 1
437 1 43 ALA MB 1 44 LEU HA . . 4.840 3.828 3.580 4.056 . 0 0 "[ . 1 . 2]" 1
438 1 43 ALA MB 1 44 LEU QD . . 3.830 2.100 1.850 2.723 . 0 0 "[ . 1 . 2]" 1
439 1 43 ALA MB 1 45 ALA H . . 5.090 4.503 4.254 4.698 . 0 0 "[ . 1 . 2]" 1
440 1 43 ALA MB 1 89 LEU QD . . 3.380 2.110 1.934 2.825 . 0 0 "[ . 1 . 2]" 1
441 1 43 ALA MB 1 89 LEU HG . . 4.390 4.345 2.351 4.504 0.114 7 0 "[ . 1 . 2]" 1
442 1 44 LEU H 1 44 LEU HB3 . . 3.960 3.694 3.581 3.791 . 0 0 "[ . 1 . 2]" 1
443 1 44 LEU H 1 44 LEU QD . . 4.060 2.586 1.997 3.420 . 0 0 "[ . 1 . 2]" 1
444 1 44 LEU H 1 45 ALA H . . 3.260 2.412 2.045 2.668 . 0 0 "[ . 1 . 2]" 1
445 1 44 LEU H 1 45 ALA MB . . 4.110 4.060 3.676 4.203 0.093 3 0 "[ . 1 . 2]" 1
446 1 44 LEU HA 1 44 LEU QD . . 3.130 2.129 2.033 2.294 . 0 0 "[ . 1 . 2]" 1
447 1 44 LEU HA 1 47 TYR HB3 . . 3.890 4.665 4.322 5.103 1.213 2 18 "[*+****** **-**.*****]" 1
448 1 44 LEU HA 1 47 TYR QD . . 2.800 2.352 2.092 2.660 . 0 0 "[ . 1 . 2]" 1
449 1 44 LEU HA 1 47 TYR QE . . 4.430 3.993 2.964 4.504 0.074 1 0 "[ . 1 . 2]" 1
450 1 44 LEU HA 1 86 LEU QD . . 5.500 4.350 3.736 4.933 . 0 0 "[ . 1 . 2]" 1
451 1 44 LEU HB3 1 45 ALA H . . 4.880 4.288 4.004 4.500 . 0 0 "[ . 1 . 2]" 1
452 1 44 LEU QD 1 45 ALA H . . 5.290 4.100 3.842 4.470 . 0 0 "[ . 1 . 2]" 1
453 1 44 LEU QD 1 47 TYR H . . 5.500 4.634 4.167 4.931 . 0 0 "[ . 1 . 2]" 1
454 1 44 LEU QD 1 47 TYR HB3 . . 4.630 4.302 3.598 4.929 0.299 10 0 "[ . 1 . 2]" 1
455 1 44 LEU QD 1 47 TYR QE . . 4.600 3.930 2.810 4.551 . 0 0 "[ . 1 . 2]" 1
456 1 44 LEU QD 1 86 LEU H . . 5.180 4.564 3.836 5.020 . 0 0 "[ . 1 . 2]" 1
457 1 44 LEU QD 1 86 LEU QD . . 3.380 1.868 1.700 2.194 . 0 0 "[ . 1 . 2]" 1
458 1 44 LEU QD 1 89 LEU QD . . 2.900 2.046 1.796 2.745 . 0 0 "[ . 1 . 2]" 1
459 1 45 ALA H 1 45 ALA MB . . 3.050 2.221 2.105 2.269 . 0 0 "[ . 1 . 2]" 1
460 1 45 ALA H 1 46 PRO HD3 . . 3.930 3.631 3.060 3.973 0.043 10 0 "[ . 1 . 2]" 1
461 1 45 ALA H 1 47 TYR H . . 5.060 4.285 4.024 4.634 . 0 0 "[ . 1 . 2]" 1
462 1 45 ALA H 1 47 TYR QD . . 5.270 5.136 4.553 5.354 0.084 3 0 "[ . 1 . 2]" 1
463 1 45 ALA HA 1 47 TYR H . . 4.590 4.057 3.740 4.644 0.054 2 0 "[ . 1 . 2]" 1
464 1 45 ALA HA 1 50 LEU MD1 . . 5.500 3.923 3.223 5.004 . 0 0 "[ . 1 . 2]" 1
465 1 45 ALA MB 1 46 PRO HA . . 4.070 3.994 3.860 4.151 0.081 20 0 "[ . 1 . 2]" 1
466 1 45 ALA MB 1 46 PRO HB3 . . 5.500 4.290 4.109 4.459 . 0 0 "[ . 1 . 2]" 1
467 1 45 ALA MB 1 46 PRO HD3 . . 3.520 2.160 2.035 2.245 . 0 0 "[ . 1 . 2]" 1
468 1 45 ALA MB 1 47 TYR H . . 4.950 4.368 4.262 4.588 . 0 0 "[ . 1 . 2]" 1
469 1 46 PRO HA 1 48 ALA H . . 3.740 3.810 3.668 3.832 0.092 1 0 "[ . 1 . 2]" 1
470 1 46 PRO HB3 1 47 TYR H . . 4.650 4.525 4.194 4.681 0.031 12 0 "[ . 1 . 2]" 1
471 1 46 PRO HB3 1 47 TYR HA . . 5.200 5.781 5.497 5.914 0.714 20 16 "[* **.****1***** *-*+]" 1
472 1 46 PRO HB3 1 47 TYR QE . . 5.010 4.837 4.680 4.878 . 0 0 "[ . 1 . 2]" 1
473 1 46 PRO HD3 1 47 TYR H . . 4.660 4.100 3.940 4.276 . 0 0 "[ . 1 . 2]" 1
474 1 46 PRO HD3 1 47 TYR QE . . 5.490 5.242 4.690 5.540 0.050 8 0 "[ . 1 . 2]" 1
475 1 47 TYR H 1 47 TYR HB3 . . 3.910 3.703 3.577 3.819 . 0 0 "[ . 1 . 2]" 1
476 1 47 TYR H 1 47 TYR QD . . 3.690 3.335 2.911 3.480 . 0 0 "[ . 1 . 2]" 1
477 1 47 TYR H 1 47 TYR QE . . 5.130 4.667 4.095 4.917 . 0 0 "[ . 1 . 2]" 1
478 1 47 TYR H 1 48 ALA H . . 3.050 2.292 2.021 2.735 . 0 0 "[ . 1 . 2]" 1
479 1 47 TYR H 1 48 ALA MB . . 5.500 3.731 3.391 4.170 . 0 0 "[ . 1 . 2]" 1
480 1 47 TYR HA 1 82 LEU QD . . 4.920 4.326 3.605 4.760 . 0 0 "[ . 1 . 2]" 1
481 1 47 TYR HA 1 85 ILE MD . . 5.050 4.652 3.586 5.131 0.081 16 0 "[ . 1 . 2]" 1
482 1 47 TYR HB3 1 48 ALA MB . . 4.650 4.486 4.221 4.707 0.057 4 0 "[ . 1 . 2]" 1
483 1 47 TYR HB3 1 82 LEU QD . . 3.950 3.113 2.373 3.882 . 0 0 "[ . 1 . 2]" 1
484 1 47 TYR HB3 1 85 ILE MG . . 4.160 3.117 2.155 3.838 . 0 0 "[ . 1 . 2]" 1
485 1 47 TYR HB3 1 86 LEU QD . . 4.640 4.863 3.515 5.236 0.596 20 6 "[ *. * * . * -+]" 1
486 1 47 TYR QD 1 48 ALA H . . 4.620 4.703 4.684 4.718 0.098 5 0 "[ . 1 . 2]" 1
487 1 47 TYR QD 1 85 ILE MG . . 3.710 3.448 2.748 3.835 0.125 7 0 "[ . 1 . 2]" 1
488 1 47 TYR QE 1 85 ILE MG . . 4.500 4.167 3.494 4.602 0.102 5 0 "[ . 1 . 2]" 1
489 1 48 ALA H 1 48 ALA MB . . 3.630 2.697 2.519 2.837 . 0 0 "[ . 1 . 2]" 1
490 1 48 ALA H 1 49 VAL H . . 4.790 4.226 3.385 4.497 . 0 0 "[ . 1 . 2]" 1
491 1 48 ALA H 1 49 VAL HB . . 5.500 5.255 4.801 5.586 0.086 5 0 "[ . 1 . 2]" 1
492 1 48 ALA H 1 82 LEU QD . . 5.170 4.530 4.191 4.988 . 0 0 "[ . 1 . 2]" 1
493 1 48 ALA HA 1 49 VAL H . . 2.900 2.359 2.098 2.654 . 0 0 "[ . 1 . 2]" 1
494 1 48 ALA HA 1 49 VAL HA . . 4.570 4.513 4.396 4.605 0.035 4 0 "[ . 1 . 2]" 1
495 1 48 ALA HA 1 49 VAL HB . . 4.430 4.400 4.203 4.503 0.073 16 0 "[ . 1 . 2]" 1
496 1 48 ALA HA 1 50 LEU H . . 5.190 5.147 4.594 5.267 0.077 4 0 "[ . 1 . 2]" 1
497 1 48 ALA HA 1 50 LEU MD1 . . 5.470 5.333 4.571 5.823 0.353 15 0 "[ . 1 . 2]" 1
498 1 48 ALA HA 1 82 LEU QD . . 4.360 3.383 2.384 4.101 . 0 0 "[ . 1 . 2]" 1
499 1 48 ALA MB 1 49 VAL H . . 3.420 2.685 2.176 3.509 0.089 8 0 "[ . 1 . 2]" 1
500 1 48 ALA MB 1 50 LEU H . . 4.230 3.664 3.324 4.177 . 0 0 "[ . 1 . 2]" 1
501 1 48 ALA MB 1 50 LEU MD2 . . 3.120 2.420 1.893 3.060 . 0 0 "[ . 1 . 2]" 1
502 1 48 ALA MB 1 82 LEU QD . . 3.310 2.559 1.997 3.130 . 0 0 "[ . 1 . 2]" 1
503 1 49 VAL H 1 49 VAL HB . . 3.210 2.988 2.171 3.294 0.084 10 0 "[ . 1 . 2]" 1
504 1 49 VAL H 1 49 VAL QG . . 3.250 2.304 1.892 2.680 . 0 0 "[ . 1 . 2]" 1
505 1 49 VAL H 1 50 LEU H . . 4.580 3.627 3.269 4.079 . 0 0 "[ . 1 . 2]" 1
506 1 49 VAL H 1 50 LEU MD2 . . 4.990 4.133 2.503 4.956 . 0 0 "[ . 1 . 2]" 1
507 1 49 VAL H 1 50 LEU HG . . 4.700 3.538 2.813 4.415 . 0 0 "[ . 1 . 2]" 1
508 1 49 VAL HA 1 49 VAL QG . . 3.120 2.229 2.086 2.336 . 0 0 "[ . 1 . 2]" 1
509 1 49 VAL HA 1 50 LEU H . . 2.840 2.240 2.127 2.311 . 0 0 "[ . 1 . 2]" 1
510 1 49 VAL HA 1 50 LEU HG . . 4.870 4.202 3.760 4.530 . 0 0 "[ . 1 . 2]" 1
511 1 49 VAL HB 1 50 LEU H . . 4.660 4.499 4.452 4.565 . 0 0 "[ . 1 . 2]" 1
512 1 49 VAL QG 1 50 LEU H . . 3.640 3.488 3.304 3.537 . 0 0 "[ . 1 . 2]" 1
513 1 49 VAL QG 1 50 LEU HA . . 4.240 3.896 3.734 4.051 . 0 0 "[ . 1 . 2]" 1
514 1 50 LEU H 1 50 LEU HB3 . . 3.560 3.497 3.373 3.632 0.072 13 0 "[ . 1 . 2]" 1
515 1 50 LEU H 1 50 LEU MD1 . . 4.230 2.848 2.105 4.035 . 0 0 "[ . 1 . 2]" 1
516 1 50 LEU H 1 50 LEU MD2 . . 4.250 4.143 3.314 4.315 0.065 12 0 "[ . 1 . 2]" 1
517 1 50 LEU H 1 50 LEU HG . . 3.700 2.682 2.406 2.940 . 0 0 "[ . 1 . 2]" 1
518 1 50 LEU H 1 51 SER H . . 4.900 4.382 4.282 4.489 . 0 0 "[ . 1 . 2]" 1
519 1 50 LEU HA 1 50 LEU MD1 . . 3.830 3.696 3.609 4.083 0.253 15 0 "[ . 1 . 2]" 1
520 1 50 LEU HA 1 51 SER H . . 3.240 2.639 2.409 2.986 . 0 0 "[ . 1 . 2]" 1
521 1 50 LEU HA 1 51 SER HB3 . . 4.780 4.771 3.975 5.699 0.919 7 3 "[ *. + 1 - . 2]" 1
522 1 50 LEU HA 1 54 ASN HB3 . . 5.400 5.591 4.546 6.266 0.866 9 4 "[ *.* -+1 . 2]" 1
523 1 50 LEU HA 1 54 ASN QD . . 5.500 4.043 3.268 5.278 . 0 0 "[ . 1 . 2]" 1
524 1 50 LEU HB3 1 50 LEU MD1 . . 3.500 3.253 2.909 3.292 . 0 0 "[ . 1 . 2]" 1
525 1 50 LEU HB3 1 51 SER H . . 4.010 3.523 3.306 3.710 . 0 0 "[ . 1 . 2]" 1
526 1 50 LEU HB3 1 54 ASN HB3 . . 5.150 4.278 3.832 4.993 . 0 0 "[ . 1 . 2]" 1
527 1 50 LEU MD1 1 51 SER H . . 4.730 2.974 2.385 3.530 . 0 0 "[ . 1 . 2]" 1
528 1 50 LEU MD1 1 54 ASN HB3 . . 4.860 4.129 2.646 4.837 . 0 0 "[ . 1 . 2]" 1
529 1 50 LEU MD2 1 51 SER H . . 3.970 3.996 3.673 4.539 0.569 15 1 "[ . 1 + 2]" 1
530 1 50 LEU MD2 1 54 ASN H . . 4.870 4.834 4.373 5.638 0.768 15 2 "[ . 1 + - 2]" 1
531 1 50 LEU MD2 1 54 ASN HB3 . . 3.950 2.900 2.190 3.627 . 0 0 "[ . 1 . 2]" 1
532 1 50 LEU MD2 1 54 ASN QD . . 4.940 3.216 2.600 3.741 . 0 0 "[ . 1 . 2]" 1
533 1 50 LEU HG 1 51 SER H . . 5.100 4.523 4.166 4.858 . 0 0 "[ . 1 . 2]" 1
534 1 51 SER H 1 51 SER HB3 . . 3.880 3.213 2.841 3.875 . 0 0 "[ . 1 . 2]" 1
535 1 51 SER H 1 52 SER H . . 4.910 4.283 4.072 4.396 . 0 0 "[ . 1 . 2]" 1
536 1 51 SER H 1 52 SER HA . . 5.500 5.076 4.901 5.248 . 0 0 "[ . 1 . 2]" 1
537 1 51 SER H 1 53 SER H . . 5.090 3.791 3.479 4.346 . 0 0 "[ . 1 . 2]" 1
538 1 51 SER H 1 54 ASN H . . 4.190 3.126 2.879 3.396 . 0 0 "[ . 1 . 2]" 1
539 1 51 SER H 1 54 ASN HB3 . . 4.170 4.500 2.783 4.810 0.640 9 9 "[ *.* *+1 ** * *-]" 1
540 1 51 SER H 1 54 ASN QD . . 5.500 4.290 3.690 5.055 . 0 0 "[ . 1 . 2]" 1
541 1 51 SER H 1 55 VAL QG . . 4.790 4.472 4.108 4.817 0.027 9 0 "[ . 1 . 2]" 1
542 1 51 SER HA 1 52 SER H . . 3.180 2.716 2.580 2.869 . 0 0 "[ . 1 . 2]" 1
543 1 51 SER HB3 1 52 SER H . . 3.960 2.857 1.970 3.701 . 0 0 "[ . 1 . 2]" 1
544 1 51 SER HB3 1 53 SER H . . 4.360 3.137 2.347 4.421 0.061 14 0 "[ . 1 . 2]" 1
545 1 52 SER H 1 52 SER HB3 . . 3.810 2.611 2.428 2.883 . 0 0 "[ . 1 . 2]" 1
546 1 52 SER H 1 53 SER H . . 3.520 2.899 2.664 3.094 . 0 0 "[ . 1 . 2]" 1
547 1 52 SER H 1 54 ASN H . . 4.960 4.638 4.409 4.975 0.015 9 0 "[ . 1 . 2]" 1
548 1 52 SER HA 1 55 VAL H . . 4.000 3.333 2.852 4.002 0.002 9 0 "[ . 1 . 2]" 1
549 1 52 SER HA 1 55 VAL HB . . 4.380 3.708 2.275 4.465 0.085 15 0 "[ . 1 . 2]" 1
550 1 52 SER HA 1 55 VAL QG . . 4.310 2.592 1.924 3.650 . 0 0 "[ . 1 . 2]" 1
551 1 52 SER HB3 1 53 SER H . . 4.620 4.469 4.164 4.639 0.019 12 0 "[ . 1 . 2]" 1
552 1 53 SER H 1 54 ASN HB3 . . 5.490 5.987 4.454 6.484 0.994 16 15 "[*******- * ***+ **2]" 1
553 1 53 SER H 1 55 VAL H . . 4.760 4.223 3.973 4.549 . 0 0 "[ . 1 . 2]" 1
554 1 53 SER HA 1 53 SER HB3 . . 2.910 2.634 2.392 2.993 0.083 15 0 "[ . 1 . 2]" 1
555 1 53 SER HB3 1 54 ASN H . . 3.480 3.360 2.565 3.570 0.090 20 0 "[ . 1 . 2]" 1
556 1 54 ASN H 1 54 ASN HB3 . . 3.540 3.519 2.214 3.700 0.160 7 0 "[ . 1 . 2]" 1
557 1 54 ASN H 1 54 ASN QD . . 4.910 4.238 3.840 4.431 . 0 0 "[ . 1 . 2]" 1
558 1 54 ASN H 1 55 VAL H . . 3.200 2.655 2.373 3.153 . 0 0 "[ . 1 . 2]" 1
559 1 54 ASN H 1 55 VAL HB . . 5.450 5.001 4.471 5.493 0.043 9 0 "[ . 1 . 2]" 1
560 1 54 ASN H 1 55 VAL QG . . 4.270 3.760 3.249 4.270 . 0 0 "[ . 1 . 2]" 1
561 1 54 ASN HA 1 54 ASN QD . . 3.620 3.194 2.726 3.451 . 0 0 "[ . 1 . 2]" 1
562 1 54 ASN HA 1 72 ILE MG . . 4.700 4.349 3.831 4.785 0.085 10 0 "[ . 1 . 2]" 1
563 1 54 ASN HA 1 73 GLN H . . 4.510 3.265 2.931 3.814 . 0 0 "[ . 1 . 2]" 1
564 1 54 ASN HA 1 73 GLN HB3 . . 4.850 3.736 2.483 4.920 0.070 15 0 "[ . 1 . 2]" 1
565 1 54 ASN HB3 1 55 VAL H . . 4.450 3.392 2.303 3.611 . 0 0 "[ . 1 . 2]" 1
566 1 54 ASN HB3 1 55 VAL QG . . 3.950 3.978 3.128 4.587 0.637 18 3 "[ . 1- . + *]" 1
567 1 54 ASN HB3 1 72 ILE MG . . 4.920 2.707 2.078 4.427 . 0 0 "[ . 1 . 2]" 1
568 1 54 ASN HB3 1 73 GLN H . . 4.760 3.191 2.427 4.836 0.076 17 0 "[ . 1 . 2]" 1
569 1 54 ASN QD 1 55 VAL H . . 5.500 5.124 4.608 5.244 . 0 0 "[ . 1 . 2]" 1
570 1 54 ASN QD 1 73 GLN H . . 5.500 3.853 2.220 4.469 . 0 0 "[ . 1 . 2]" 1
571 1 54 ASN QD 1 73 GLN HB3 . . 5.410 3.587 2.745 4.393 . 0 0 "[ . 1 . 2]" 1
572 1 54 ASN QD 1 74 LEU HA . . 5.180 3.257 2.657 4.139 . 0 0 "[ . 1 . 2]" 1
573 1 54 ASN QD 1 74 LEU QD . . 4.380 3.144 2.260 3.629 . 0 0 "[ . 1 . 2]" 1
574 1 55 VAL H 1 55 VAL HB . . 3.340 2.597 2.342 2.822 . 0 0 "[ . 1 . 2]" 1
575 1 55 VAL H 1 55 VAL QG . . 3.570 2.003 1.710 2.355 . 0 0 "[ . 1 . 2]" 1
576 1 55 VAL H 1 56 ARG H . . 4.730 4.374 3.892 4.687 . 0 0 "[ . 1 . 2]" 1
577 1 55 VAL HA 1 55 VAL QG . . 3.340 2.263 2.112 2.426 . 0 0 "[ . 1 . 2]" 1
578 1 55 VAL HA 1 56 ARG H . . 3.130 2.215 2.078 2.312 . 0 0 "[ . 1 . 2]" 1
579 1 55 VAL HA 1 56 ARG HA . . 4.920 4.459 4.395 4.502 . 0 0 "[ . 1 . 2]" 1
580 1 55 VAL HA 1 72 ILE HG13 . . 4.740 3.954 3.149 4.787 0.047 20 0 "[ . 1 . 2]" 1
581 1 55 VAL HB 1 56 ARG H . . 4.910 4.282 3.861 4.568 . 0 0 "[ . 1 . 2]" 1
582 1 55 VAL QG 1 56 ARG H . . 3.560 2.929 2.242 3.448 . 0 0 "[ . 1 . 2]" 1
583 1 55 VAL QG 1 56 ARG HA . . 4.310 3.729 3.200 4.209 . 0 0 "[ . 1 . 2]" 1
584 1 56 ARG H 1 57 VAL HA . . 5.420 4.900 4.486 5.393 . 0 0 "[ . 1 . 2]" 1
585 1 56 ARG H 1 70 ALA MB . . 4.700 3.947 3.051 4.783 0.083 16 0 "[ . 1 . 2]" 1
586 1 56 ARG H 1 71 PHE H . . 4.000 3.240 2.719 3.786 . 0 0 "[ . 1 . 2]" 1
587 1 56 ARG HA 1 56 ARG HG3 . . 4.090 2.715 2.317 3.015 . 0 0 "[ . 1 . 2]" 1
588 1 56 ARG HA 1 57 VAL H . . 3.060 2.214 2.047 2.475 . 0 0 "[ . 1 . 2]" 1
589 1 56 ARG HA 1 57 VAL HB . . 4.550 4.568 4.404 4.627 0.077 18 0 "[ . 1 . 2]" 1
590 1 56 ARG HA 1 57 VAL QG . . 4.070 3.593 3.218 3.963 . 0 0 "[ . 1 . 2]" 1
591 1 57 VAL H 1 57 VAL HB . . 3.320 2.846 2.414 3.399 0.079 13 0 "[ . 1 . 2]" 1
592 1 57 VAL H 1 57 VAL QG . . 3.460 2.299 1.971 2.708 . 0 0 "[ . 1 . 2]" 1
593 1 57 VAL H 1 58 ILE H . . 4.970 4.087 3.675 4.428 . 0 0 "[ . 1 . 2]" 1
594 1 57 VAL H 1 58 ILE MD . . 4.630 4.061 3.339 4.695 0.065 15 0 "[ . 1 . 2]" 1
595 1 57 VAL HA 1 57 VAL QG . . 3.310 2.222 2.097 2.403 . 0 0 "[ . 1 . 2]" 1
596 1 57 VAL HA 1 58 ILE H . . 3.340 2.125 2.002 2.240 . 0 0 "[ . 1 . 2]" 1
597 1 57 VAL HA 1 58 ILE HB . . 4.810 4.672 4.321 4.871 0.061 3 0 "[ . 1 . 2]" 1
598 1 57 VAL HA 1 58 ILE MD . . 4.770 4.038 3.665 4.565 . 0 0 "[ . 1 . 2]" 1
599 1 57 VAL HA 1 58 ILE MG . . 5.500 5.483 5.362 5.572 0.072 17 0 "[ . 1 . 2]" 1
600 1 57 VAL HA 1 70 ALA HA . . 3.660 2.927 2.257 3.720 0.060 15 0 "[ . 1 . 2]" 1
601 1 57 VAL HA 1 70 ALA MB . . 3.610 2.514 2.097 3.345 . 0 0 "[ . 1 . 2]" 1
602 1 57 VAL HA 1 71 PHE H . . 4.540 3.547 3.165 4.207 . 0 0 "[ . 1 . 2]" 1
603 1 57 VAL HB 1 58 ILE H . . 4.460 4.371 4.090 4.515 0.055 2 0 "[ . 1 . 2]" 1
604 1 57 VAL QG 1 58 ILE H . . 3.710 3.161 2.908 3.406 . 0 0 "[ . 1 . 2]" 1
605 1 57 VAL QG 1 59 LYS HA . . 4.520 4.047 3.668 4.540 0.020 19 0 "[ . 1 . 2]" 1
606 1 57 VAL QG 1 59 LYS HG3 . . 4.240 3.164 2.221 4.167 . 0 0 "[ . 1 . 2]" 1
607 1 57 VAL QG 1 66 ASN HA . . 4.410 3.456 2.779 3.974 . 0 0 "[ . 1 . 2]" 1
608 1 57 VAL QG 1 66 ASN HB3 . . 3.670 3.210 2.573 3.720 0.050 16 0 "[ . 1 . 2]" 1
609 1 57 VAL QG 1 66 ASN HD21 . . 5.500 4.051 3.260 4.841 . 0 0 "[ . 1 . 2]" 1
610 1 57 VAL QG 1 66 ASN HD22 . . 4.530 3.570 2.837 5.115 0.585 17 1 "[ . 1 . + 2]" 1
611 1 57 VAL QG 1 67 ARG H . . 4.950 4.172 3.653 4.933 . 0 0 "[ . 1 . 2]" 1
612 1 57 VAL QG 1 70 ALA MB . . 3.510 2.483 1.996 3.020 . 0 0 "[ . 1 . 2]" 1
613 1 58 ILE H 1 58 ILE HB . . 3.560 2.621 2.285 2.818 . 0 0 "[ . 1 . 2]" 1
614 1 58 ILE H 1 58 ILE MD . . 3.400 2.848 2.297 3.199 . 0 0 "[ . 1 . 2]" 1
615 1 58 ILE H 1 58 ILE HG13 . . 4.620 3.735 3.439 4.306 . 0 0 "[ . 1 . 2]" 1
616 1 58 ILE H 1 59 LYS H . . 4.910 4.557 4.364 4.679 . 0 0 "[ . 1 . 2]" 1
617 1 58 ILE H 1 70 ALA HA . . 4.220 2.924 2.491 3.503 . 0 0 "[ . 1 . 2]" 1
618 1 58 ILE H 1 70 ALA MB . . 4.390 3.650 2.806 4.478 0.088 8 0 "[ . 1 . 2]" 1
619 1 58 ILE H 1 71 PHE H . . 5.040 4.077 3.422 4.806 . 0 0 "[ . 1 . 2]" 1
620 1 58 ILE HA 1 58 ILE MD . . 3.240 2.303 2.221 2.430 . 0 0 "[ . 1 . 2]" 1
621 1 58 ILE HA 1 58 ILE HG13 . . 4.250 3.789 2.766 3.939 . 0 0 "[ . 1 . 2]" 1
622 1 58 ILE HA 1 58 ILE MG . . 3.370 2.380 2.270 2.686 . 0 0 "[ . 1 . 2]" 1
623 1 58 ILE HA 1 59 LYS H . . 2.970 2.200 2.031 2.472 . 0 0 "[ . 1 . 2]" 1
624 1 58 ILE HA 1 59 LYS HB3 . . 4.910 5.608 4.949 5.814 0.904 8 19 "[*******+***** ****-*]" 1
625 1 58 ILE HA 1 59 LYS HG3 . . 5.010 3.700 3.495 3.773 . 0 0 "[ . 1 . 2]" 1
626 1 58 ILE HB 1 59 LYS H . . 4.800 3.932 3.475 4.337 . 0 0 "[ . 1 . 2]" 1
627 1 58 ILE HB 1 67 ARG H . . 5.360 4.540 3.925 5.297 . 0 0 "[ . 1 . 2]" 1
628 1 58 ILE MD 1 59 LYS H . . 3.980 4.008 3.782 4.083 0.103 12 0 "[ . 1 . 2]" 1
629 1 58 ILE MD 1 70 ALA HA . . 4.860 4.614 3.601 4.959 0.099 9 0 "[ . 1 . 2]" 1
630 1 58 ILE MD 1 71 PHE HB3 . . 5.490 4.520 3.070 5.307 . 0 0 "[ . 1 . 2]" 1
631 1 58 ILE MD 1 71 PHE QD . . 3.630 2.749 2.104 3.692 0.062 9 0 "[ . 1 . 2]" 1
632 1 58 ILE HG13 1 58 ILE MG . . 3.430 2.243 2.099 2.303 . 0 0 "[ . 1 . 2]" 1
633 1 58 ILE MG 1 59 LYS H . . 3.550 2.487 1.948 3.110 . 0 0 "[ . 1 . 2]" 1
634 1 58 ILE MG 1 59 LYS HA . . 5.360 4.031 3.841 4.378 . 0 0 "[ . 1 . 2]" 1
635 1 58 ILE MG 1 67 ARG H . . 5.390 4.706 3.762 5.405 0.015 3 0 "[ . 1 . 2]" 1
636 1 59 LYS H 1 59 LYS HB3 . . 3.560 3.744 3.565 3.952 0.392 12 0 "[ . 1 . 2]" 1
637 1 59 LYS H 1 59 LYS HE3 . . 4.990 5.214 3.865 6.615 1.625 17 9 "[ * * -* * +***]" 1
638 1 59 LYS H 1 59 LYS HG3 . . 4.160 2.878 2.214 3.529 . 0 0 "[ . 1 . 2]" 1
639 1 59 LYS H 1 66 ASN HA . . 5.460 4.879 4.608 5.276 . 0 0 "[ . 1 . 2]" 1
640 1 59 LYS HA 1 60 ASP H . . 3.030 2.471 2.237 2.682 . 0 0 "[ . 1 . 2]" 1
641 1 59 LYS HA 1 60 ASP HB3 . . 5.280 4.876 4.400 5.308 0.028 7 0 "[ . 1 . 2]" 1
642 1 59 LYS HA 1 65 LEU H . . 5.300 4.717 4.448 5.043 . 0 0 "[ . 1 . 2]" 1
643 1 59 LYS HA 1 66 ASN HA . . 3.410 2.222 2.050 2.458 . 0 0 "[ . 1 . 2]" 1
644 1 59 LYS HA 1 67 ARG H . . 4.150 3.084 2.248 3.681 . 0 0 "[ . 1 . 2]" 1
645 1 59 LYS HB3 1 59 LYS HE3 . . 3.070 3.345 1.981 4.339 1.269 18 7 "[ * . *1 * -+**]" 1
646 1 59 LYS HB3 1 64 GLN HA . . 4.870 3.375 2.477 4.713 . 0 0 "[ . 1 . 2]" 1
647 1 59 LYS HB3 1 66 ASN HA . . 4.940 3.842 2.203 4.207 . 0 0 "[ . 1 . 2]" 1
648 1 59 LYS HE3 1 64 GLN HA . . 4.440 4.173 2.506 5.460 1.020 14 3 "[ * . 1 +. -2]" 1
649 1 59 LYS HG3 1 66 ASN HA . . 4.350 4.145 3.263 4.926 0.576 7 2 "[ . + 1 -. 2]" 1
650 1 60 ASP H 1 60 ASP HB3 . . 3.480 2.445 2.186 2.842 . 0 0 "[ . 1 . 2]" 1
651 1 60 ASP H 1 61 LYS H . . 4.920 4.568 4.519 4.666 . 0 0 "[ . 1 . 2]" 1
652 1 60 ASP H 1 63 THR H . . 5.500 4.915 4.214 5.468 . 0 0 "[ . 1 . 2]" 1
653 1 60 ASP H 1 64 GLN HA . . 5.260 4.231 3.577 4.993 . 0 0 "[ . 1 . 2]" 1
654 1 60 ASP H 1 65 LEU H . . 4.730 3.022 2.540 3.304 . 0 0 "[ . 1 . 2]" 1
655 1 60 ASP H 1 65 LEU QD . . 5.500 5.138 4.842 5.268 . 0 0 "[ . 1 . 2]" 1
656 1 60 ASP H 1 66 ASN HA . . 4.250 3.758 3.552 4.234 . 0 0 "[ . 1 . 2]" 1
657 1 60 ASP H 1 67 ARG H . . 5.060 4.489 3.997 5.122 0.062 4 0 "[ . 1 . 2]" 1
658 1 60 ASP HA 1 61 LYS H . . 2.930 2.449 2.236 2.701 . 0 0 "[ . 1 . 2]" 1
659 1 60 ASP HA 1 61 LYS HA . . 5.110 4.481 4.324 4.589 . 0 0 "[ . 1 . 2]" 1
660 1 60 ASP HA 1 62 GLN H . . 4.480 4.232 3.970 4.537 0.057 18 0 "[ . 1 . 2]" 1
661 1 60 ASP HB3 1 61 LYS H . . 4.380 3.461 2.818 4.077 . 0 0 "[ . 1 . 2]" 1
662 1 60 ASP HB3 1 63 THR H . . 4.890 2.758 1.993 3.314 . 0 0 "[ . 1 . 2]" 1
663 1 60 ASP HB3 1 63 THR MG . . 5.240 3.893 2.598 4.322 . 0 0 "[ . 1 . 2]" 1
664 1 60 ASP HB3 1 65 LEU H . . 4.670 3.018 2.483 4.038 . 0 0 "[ . 1 . 2]" 1
665 1 61 LYS H 1 61 LYS HG3 . . 4.190 4.349 4.075 4.597 0.407 7 0 "[ . 1 . 2]" 1
666 1 61 LYS H 1 62 GLN H . . 3.540 2.133 1.921 2.380 . 0 0 "[ . 1 . 2]" 1
667 1 61 LYS H 1 63 THR H . . 5.500 3.658 3.215 4.263 . 0 0 "[ . 1 . 2]" 1
668 1 61 LYS HA 1 61 LYS HG3 . . 4.030 3.023 2.434 3.439 . 0 0 "[ . 1 . 2]" 1
669 1 61 LYS HA 1 64 GLN HE21 . . 4.550 4.014 3.212 4.617 0.067 10 0 "[ . 1 . 2]" 1
670 1 61 LYS HA 1 64 GLN HE22 . . 4.490 3.977 2.634 4.576 0.086 3 0 "[ . 1 . 2]" 1
671 1 61 LYS HG3 1 62 GLN H . . 4.640 4.159 3.457 5.037 0.397 15 0 "[ . 1 . 2]" 1
672 1 61 LYS HG3 1 62 GLN HA . . 4.860 4.167 3.210 5.594 0.734 15 1 "[ . 1 + 2]" 1
673 1 62 GLN H 1 62 GLN HG3 . . 3.910 2.161 1.959 2.629 . 0 0 "[ . 1 . 2]" 1
674 1 62 GLN H 1 63 THR H . . 3.190 2.419 2.154 2.592 . 0 0 "[ . 1 . 2]" 1
675 1 62 GLN H 1 63 THR MG . . 4.180 4.113 3.660 4.289 0.109 6 0 "[ . 1 . 2]" 1
676 1 62 GLN HA 1 62 GLN HG3 . . 3.600 3.436 3.289 3.545 . 0 0 "[ . 1 . 2]" 1
677 1 62 GLN HG3 1 63 THR H . . 4.730 3.986 3.638 4.343 . 0 0 "[ . 1 . 2]" 1
678 1 62 GLN HG3 1 63 THR MG . . 4.980 4.496 4.263 4.681 . 0 0 "[ . 1 . 2]" 1
679 1 63 THR H 1 63 THR MG . . 3.330 2.644 2.295 3.155 . 0 0 "[ . 1 . 2]" 1
680 1 63 THR H 1 65 LEU H . . 4.400 4.351 4.112 4.476 0.076 18 0 "[ . 1 . 2]" 1
681 1 63 THR HA 1 63 THR MG . . 3.460 2.475 2.233 3.045 . 0 0 "[ . 1 . 2]" 1
682 1 63 THR HA 1 64 GLN H . . 3.460 2.642 2.363 2.827 . 0 0 "[ . 1 . 2]" 1
683 1 63 THR HA 1 64 GLN HE21 . . 5.500 4.126 3.618 4.618 . 0 0 "[ . 1 . 2]" 1
684 1 63 THR HA 1 64 GLN HG3 . . 4.570 5.172 4.933 5.212 0.642 8 19 "[***-***+** *********]" 1
685 1 63 THR HB 1 64 GLN H . . 4.400 2.286 2.038 2.998 . 0 0 "[ . 1 . 2]" 1
686 1 63 THR HB 1 65 LEU H . . 4.100 3.499 2.769 4.181 0.081 18 0 "[ . 1 . 2]" 1
687 1 63 THR HB 1 65 LEU QD . . 3.750 2.560 1.871 3.403 . 0 0 "[ . 1 . 2]" 1
688 1 63 THR HB 1 65 LEU HG . . 3.950 2.720 2.257 4.033 0.083 8 0 "[ . 1 . 2]" 1
689 1 63 THR MG 1 64 GLN H . . 4.310 3.784 3.561 4.078 . 0 0 "[ . 1 . 2]" 1
690 1 63 THR MG 1 64 GLN HA . . 5.500 5.565 5.334 5.606 0.106 13 0 "[ . 1 . 2]" 1
691 1 63 THR MG 1 65 LEU H . . 4.690 4.488 3.844 4.799 0.109 6 0 "[ . 1 . 2]" 1
692 1 63 THR MG 1 65 LEU QD . . 4.660 2.802 2.351 3.657 . 0 0 "[ . 1 . 2]" 1
693 1 64 GLN H 1 64 GLN HE21 . . 5.500 4.039 3.608 4.290 . 0 0 "[ . 1 . 2]" 1
694 1 64 GLN H 1 64 GLN HG3 . . 4.010 4.171 3.907 4.264 0.254 18 0 "[ . 1 . 2]" 1
695 1 64 GLN H 1 65 LEU H . . 3.730 2.851 2.206 3.314 . 0 0 "[ . 1 . 2]" 1
696 1 64 GLN H 1 65 LEU HG . . 4.800 2.764 2.120 4.435 . 0 0 "[ . 1 . 2]" 1
697 1 64 GLN HA 1 64 GLN HG3 . . 3.550 3.780 3.706 3.837 0.287 11 0 "[ . 1 . 2]" 1
698 1 64 GLN HB3 1 64 GLN HG3 . . 2.700 2.495 2.355 2.569 . 0 0 "[ . 1 . 2]" 1
699 1 64 GLN HE21 1 65 LEU H . . 5.500 4.620 3.909 5.113 . 0 0 "[ . 1 . 2]" 1
700 1 64 GLN HG3 1 65 LEU H . . 5.500 5.960 5.874 6.044 0.544 16 4 "[ . 1 *+* -]" 1
701 1 65 LEU H 1 65 LEU HB3 . . 4.140 3.704 3.539 3.820 . 0 0 "[ . 1 . 2]" 1
702 1 65 LEU H 1 65 LEU QD . . 4.160 3.350 2.315 3.577 . 0 0 "[ . 1 . 2]" 1
703 1 65 LEU H 1 65 LEU HG . . 3.880 2.996 2.607 3.983 0.103 8 0 "[ . 1 . 2]" 1
704 1 65 LEU H 1 66 ASN H . . 5.040 4.415 4.139 4.536 . 0 0 "[ . 1 . 2]" 1
705 1 65 LEU HA 1 65 LEU QD . . 2.920 2.267 1.880 2.503 . 0 0 "[ . 1 . 2]" 1
706 1 65 LEU HA 1 65 LEU HG . . 3.560 3.146 2.827 3.620 0.060 8 0 "[ . 1 . 2]" 1
707 1 65 LEU HA 1 66 ASN H . . 3.290 2.412 2.066 2.698 . 0 0 "[ . 1 . 2]" 1
708 1 65 LEU HB3 1 66 ASN H . . 3.840 2.390 1.959 2.680 . 0 0 "[ . 1 . 2]" 1
709 1 65 LEU QD 1 66 ASN H . . 3.860 3.436 3.074 3.670 . 0 0 "[ . 1 . 2]" 1
710 1 65 LEU HG 1 66 ASN H . . 4.910 4.845 4.104 4.995 0.085 10 0 "[ . 1 . 2]" 1
711 1 66 ASN H 1 66 ASN HD22 . . 4.730 4.032 3.460 4.832 0.102 2 0 "[ . 1 . 2]" 1
712 1 66 ASN H 1 67 ARG H . . 5.150 4.656 4.424 4.745 . 0 0 "[ . 1 . 2]" 1
713 1 66 ASN HA 1 66 ASN HD22 . . 5.500 4.814 4.467 5.415 . 0 0 "[ . 1 . 2]" 1
714 1 66 ASN HB3 1 67 ARG H . . 4.290 2.811 2.308 4.084 . 0 0 "[ . 1 . 2]" 1
715 1 66 ASN HB3 1 68 GLY H . . 5.050 2.932 1.972 4.202 . 0 0 "[ . 1 . 2]" 1
716 1 67 ARG H 1 68 GLY H . . 4.180 2.887 2.475 3.451 . 0 0 "[ . 1 . 2]" 1
717 1 67 ARG H 1 69 PHE H . . 5.130 3.462 3.112 3.951 . 0 0 "[ . 1 . 2]" 1
718 1 68 GLY H 1 69 PHE H . . 3.830 2.705 2.239 3.105 . 0 0 "[ . 1 . 2]" 1
719 1 69 PHE H 1 70 ALA H . . 5.260 4.352 4.259 4.411 . 0 0 "[ . 1 . 2]" 1
720 1 69 PHE HA 1 69 PHE HD2 . . 4.410 4.261 4.045 4.578 0.168 13 0 "[ . 1 . 2]" 1
721 1 69 PHE HA 1 70 ALA H . . 3.370 2.542 2.451 2.591 . 0 0 "[ . 1 . 2]" 1
722 1 69 PHE HA 1 70 ALA MB . . 4.820 4.039 3.853 4.247 . 0 0 "[ . 1 . 2]" 1
723 1 69 PHE HB3 1 70 ALA H . . 4.040 3.889 3.674 4.099 0.059 2 0 "[ . 1 . 2]" 1
724 1 69 PHE HD2 1 70 ALA H . . 5.130 3.228 2.544 5.481 0.351 12 0 "[ . 1 . 2]" 1
725 1 70 ALA HA 1 71 PHE H . . 3.320 2.566 2.352 2.699 . 0 0 "[ . 1 . 2]" 1
726 1 70 ALA HA 1 71 PHE HA . . 4.960 4.522 4.449 4.607 . 0 0 "[ . 1 . 2]" 1
727 1 70 ALA MB 1 71 PHE H . . 3.420 2.268 2.122 2.500 . 0 0 "[ . 1 . 2]" 1
728 1 70 ALA MB 1 71 PHE HA . . 5.230 4.237 3.881 4.385 . 0 0 "[ . 1 . 2]" 1
729 1 70 ALA MB 1 71 PHE HB3 . . 5.200 5.200 4.494 5.295 0.095 16 0 "[ . 1 . 2]" 1
730 1 71 PHE H 1 71 PHE HB3 . . 4.070 3.408 2.581 3.601 . 0 0 "[ . 1 . 2]" 1
731 1 71 PHE H 1 71 PHE QD . . 4.510 4.002 3.630 4.267 . 0 0 "[ . 1 . 2]" 1
732 1 71 PHE H 1 72 ILE H . . 4.940 4.497 4.388 4.594 . 0 0 "[ . 1 . 2]" 1
733 1 71 PHE HA 1 71 PHE QD . . 3.690 2.262 2.082 2.583 . 0 0 "[ . 1 . 2]" 1
734 1 71 PHE HA 1 71 PHE QE . . 4.210 4.296 4.263 4.322 0.112 12 0 "[ . 1 . 2]" 1
735 1 71 PHE HA 1 72 ILE H . . 3.320 2.359 2.301 2.407 . 0 0 "[ . 1 . 2]" 1
736 1 71 PHE HA 1 72 ILE HA . . 4.820 4.555 4.495 4.601 . 0 0 "[ . 1 . 2]" 1
737 1 71 PHE HA 1 72 ILE HB . . 5.020 4.742 4.255 5.077 0.057 2 0 "[ . 1 . 2]" 1
738 1 71 PHE HA 1 72 ILE MD . . 5.350 5.113 4.695 5.279 . 0 0 "[ . 1 . 2]" 1
739 1 71 PHE HA 1 72 ILE HG13 . . 4.200 3.815 3.442 4.201 0.001 6 0 "[ . 1 . 2]" 1
740 1 71 PHE HB3 1 72 ILE H . . 4.280 3.020 2.739 3.928 . 0 0 "[ . 1 . 2]" 1
741 1 71 PHE QD 1 72 ILE H . . 5.320 2.824 2.386 3.506 . 0 0 "[ . 1 . 2]" 1
742 1 71 PHE QD 1 105 ALA MB . . 4.240 3.856 3.472 4.293 0.053 9 0 "[ . 1 . 2]" 1
743 1 71 PHE QE 1 105 ALA MB . . 3.730 2.795 2.275 3.612 . 0 0 "[ . 1 . 2]" 1
744 1 72 ILE H 1 72 ILE HB . . 3.930 2.850 2.522 3.097 . 0 0 "[ . 1 . 2]" 1
745 1 72 ILE H 1 72 ILE MD . . 4.520 4.290 4.070 4.441 . 0 0 "[ . 1 . 2]" 1
746 1 72 ILE H 1 72 ILE HG13 . . 4.500 3.107 2.826 3.430 . 0 0 "[ . 1 . 2]" 1
747 1 72 ILE H 1 72 ILE MG . . 4.310 3.936 3.694 4.051 . 0 0 "[ . 1 . 2]" 1
748 1 72 ILE H 1 73 GLN H . . 5.080 4.112 3.824 4.392 . 0 0 "[ . 1 . 2]" 1
749 1 72 ILE HA 1 72 ILE MD . . 4.030 3.934 3.775 4.029 . 0 0 "[ . 1 . 2]" 1
750 1 72 ILE HA 1 72 ILE HG13 . . 4.000 3.207 2.734 3.522 . 0 0 "[ . 1 . 2]" 1
751 1 72 ILE HA 1 72 ILE MG . . 3.430 2.393 2.201 2.685 . 0 0 "[ . 1 . 2]" 1
752 1 72 ILE HA 1 73 GLN H . . 3.130 2.206 2.124 2.580 . 0 0 "[ . 1 . 2]" 1
753 1 72 ILE HB 1 72 ILE MD . . 3.600 2.375 2.302 2.494 . 0 0 "[ . 1 . 2]" 1
754 1 72 ILE MD 1 73 GLN H . . 5.500 5.283 4.554 5.471 . 0 0 "[ . 1 . 2]" 1
755 1 72 ILE HG13 1 73 GLN H . . 5.500 5.220 4.852 5.429 . 0 0 "[ . 1 . 2]" 1
756 1 72 ILE MG 1 73 GLN H . . 3.750 2.804 1.674 3.307 . 0 0 "[ . 1 . 2]" 1
757 1 72 ILE MG 1 73 GLN HA . . 4.860 4.071 3.770 4.338 . 0 0 "[ . 1 . 2]" 1
758 1 72 ILE MG 1 74 LEU QD . . 2.890 2.024 1.889 2.204 . 0 0 "[ . 1 . 2]" 1
759 1 73 GLN H 1 73 GLN HB3 . . 3.890 3.214 2.281 3.816 . 0 0 "[ . 1 . 2]" 1
760 1 73 GLN H 1 74 LEU H . . 5.500 4.526 4.218 4.676 . 0 0 "[ . 1 . 2]" 1
761 1 73 GLN HA 1 74 LEU H . . 3.220 2.231 2.106 2.308 . 0 0 "[ . 1 . 2]" 1
762 1 73 GLN HA 1 74 LEU QD . . 5.130 4.222 2.869 4.970 . 0 0 "[ . 1 . 2]" 1
763 1 73 GLN HB3 1 73 GLN HE22 . . 5.330 4.203 3.629 4.707 . 0 0 "[ . 1 . 2]" 1
764 1 74 LEU H 1 79 ALA MB . . 4.840 4.079 3.083 4.805 . 0 0 "[ . 1 . 2]" 1
765 1 74 LEU HA 1 74 LEU QD . . 3.540 2.474 1.917 3.356 . 0 0 "[ . 1 . 2]" 1
766 1 74 LEU HB3 1 74 LEU QD . . 3.220 2.192 1.973 2.397 . 0 0 "[ . 1 . 2]" 1
767 1 74 LEU HB3 1 79 ALA H . . 4.310 3.704 2.881 5.501 1.191 9 2 "[ . +1 .- 2]" 1
768 1 74 LEU QD 1 78 GLU H . . 4.990 4.235 3.850 4.757 . 0 0 "[ . 1 . 2]" 1
769 1 74 LEU QD 1 78 GLU HB3 . . 4.360 2.178 1.947 2.452 . 0 0 "[ . 1 . 2]" 1
770 1 74 LEU QD 1 79 ALA H . . 4.390 3.390 2.764 4.190 . 0 0 "[ . 1 . 2]" 1
771 1 74 LEU QD 1 79 ALA HA . . 3.380 2.867 1.957 3.363 . 0 0 "[ . 1 . 2]" 1
772 1 74 LEU QD 1 79 ALA MB . . 3.900 3.197 2.391 3.743 . 0 0 "[ . 1 . 2]" 1
773 1 75 SER HA 1 78 GLU H . . 5.140 5.105 4.865 5.222 0.082 8 0 "[ . 1 . 2]" 1
774 1 75 SER HA 1 79 ALA MB . . 5.410 4.524 3.551 5.051 . 0 0 "[ . 1 . 2]" 1
775 1 76 THR H 1 76 THR HB . . 4.150 3.263 2.640 3.661 . 0 0 "[ . 1 . 2]" 1
776 1 76 THR H 1 76 THR MG . . 3.580 2.884 2.045 3.653 0.073 10 0 "[ . 1 . 2]" 1
777 1 76 THR H 1 77 ILE H . . 4.020 3.201 2.947 3.515 . 0 0 "[ . 1 . 2]" 1
778 1 76 THR H 1 78 GLU H . . 5.480 4.270 3.970 4.964 . 0 0 "[ . 1 . 2]" 1
779 1 76 THR H 1 79 ALA MB . . 5.500 4.697 3.700 5.112 . 0 0 "[ . 1 . 2]" 1
780 1 76 THR HA 1 79 ALA H . . 5.140 3.886 3.323 4.340 . 0 0 "[ . 1 . 2]" 1
781 1 76 THR HA 1 79 ALA MB . . 4.370 3.193 2.283 4.036 . 0 0 "[ . 1 . 2]" 1
782 1 76 THR HB 1 77 ILE H . . 4.150 2.832 2.087 3.665 . 0 0 "[ . 1 . 2]" 1
783 1 76 THR MG 1 77 ILE H . . 4.450 3.867 3.451 4.298 . 0 0 "[ . 1 . 2]" 1
784 1 76 THR MG 1 79 ALA H . . 5.500 5.327 4.763 5.607 0.107 19 0 "[ . 1 . 2]" 1
785 1 77 ILE H 1 77 ILE HB . . 3.070 2.401 2.237 2.550 . 0 0 "[ . 1 . 2]" 1
786 1 77 ILE H 1 77 ILE MD . . 3.810 3.498 1.962 3.882 0.072 4 0 "[ . 1 . 2]" 1
787 1 77 ILE H 1 77 ILE HG13 . . 3.800 2.576 1.967 3.829 0.029 14 0 "[ . 1 . 2]" 1
788 1 77 ILE H 1 77 ILE MG . . 3.730 3.762 3.691 3.812 0.082 5 0 "[ . 1 . 2]" 1
789 1 77 ILE H 1 78 GLU H . . 3.660 2.523 2.254 2.812 . 0 0 "[ . 1 . 2]" 1
790 1 77 ILE H 1 79 ALA H . . 4.970 4.127 3.832 4.475 . 0 0 "[ . 1 . 2]" 1
791 1 77 ILE HA 1 77 ILE MD . . 3.810 3.534 2.037 3.906 0.096 1 0 "[ . 1 . 2]" 1
792 1 77 ILE HA 1 77 ILE HG13 . . 3.550 3.006 2.366 3.635 0.085 13 0 "[ . 1 . 2]" 1
793 1 77 ILE HA 1 77 ILE MG . . 3.270 2.495 2.357 2.645 . 0 0 "[ . 1 . 2]" 1
794 1 77 ILE HA 1 79 ALA H . . 5.050 4.262 3.915 4.735 . 0 0 "[ . 1 . 2]" 1
795 1 77 ILE HB 1 78 GLU H . . 3.620 2.713 2.305 2.992 . 0 0 "[ . 1 . 2]" 1
796 1 77 ILE HB 1 78 GLU HA . . 4.690 4.350 4.199 4.639 . 0 0 "[ . 1 . 2]" 1
797 1 77 ILE HB 1 79 ALA H . . 5.350 5.077 4.624 5.403 0.053 2 0 "[ . 1 . 2]" 1
798 1 77 ILE MD 1 78 GLU H . . 5.270 4.660 3.829 5.007 . 0 0 "[ . 1 . 2]" 1
799 1 77 ILE HG13 1 77 ILE MG . . 3.080 3.070 2.258 3.272 0.192 18 0 "[ . 1 . 2]" 1
800 1 77 ILE HG13 1 78 GLU H . . 4.990 4.468 4.173 5.068 0.078 14 0 "[ . 1 . 2]" 1
801 1 77 ILE MG 1 78 GLU H . . 3.740 3.403 2.974 3.684 . 0 0 "[ . 1 . 2]" 1
802 1 77 ILE MG 1 78 GLU HA . . 3.690 3.340 2.885 3.587 . 0 0 "[ . 1 . 2]" 1
803 1 77 ILE MG 1 79 ALA H . . 4.890 4.893 4.569 4.991 0.101 3 0 "[ . 1 . 2]" 1
804 1 77 ILE MG 1 80 ALA H . . 5.500 4.660 4.138 5.280 . 0 0 "[ . 1 . 2]" 1
805 1 77 ILE MG 1 81 GLN HB3 . . 4.850 3.135 2.588 3.700 . 0 0 "[ . 1 . 2]" 1
806 1 77 ILE MG 1 81 GLN HE21 . . 4.980 4.252 3.373 5.076 0.096 12 0 "[ . 1 . 2]" 1
807 1 77 ILE MG 1 81 GLN HE22 . . 4.740 4.020 2.709 5.075 0.335 18 0 "[ . 1 . 2]" 1
808 1 77 ILE MG 1 81 GLN HG3 . . 4.700 4.542 3.318 5.132 0.432 10 0 "[ . 1 . 2]" 1
809 1 78 GLU H 1 78 GLU HB3 . . 4.020 3.576 3.480 3.644 . 0 0 "[ . 1 . 2]" 1
810 1 78 GLU H 1 79 ALA H . . 3.470 2.677 2.405 2.959 . 0 0 "[ . 1 . 2]" 1
811 1 78 GLU H 1 79 ALA MB . . 4.650 4.356 4.083 4.649 . 0 0 "[ . 1 . 2]" 1
812 1 78 GLU HA 1 79 ALA MB . . 5.340 5.040 4.941 5.097 . 0 0 "[ . 1 . 2]" 1
813 1 78 GLU HA 1 81 GLN HE21 . . 5.370 3.111 2.085 4.420 . 0 0 "[ . 1 . 2]" 1
814 1 78 GLU HA 1 81 GLN HE22 . . 5.100 3.836 2.837 5.423 0.323 5 0 "[ . 1 . 2]" 1
815 1 78 GLU HA 1 82 LEU H . . 4.990 3.729 3.378 4.221 . 0 0 "[ . 1 . 2]" 1
816 1 78 GLU HB3 1 79 ALA H . . 4.390 3.894 3.650 4.106 . 0 0 "[ . 1 . 2]" 1
817 1 78 GLU HB3 1 79 ALA HA . . 5.230 4.664 4.234 4.995 . 0 0 "[ . 1 . 2]" 1
818 1 79 ALA H 1 79 ALA MB . . 3.250 2.253 2.184 2.301 . 0 0 "[ . 1 . 2]" 1
819 1 79 ALA H 1 80 ALA H . . 3.750 2.542 2.387 3.176 . 0 0 "[ . 1 . 2]" 1
820 1 79 ALA H 1 80 ALA HA . . 5.020 5.103 5.079 5.120 0.100 15 0 "[ . 1 . 2]" 1
821 1 79 ALA H 1 81 GLN H . . 4.880 4.192 3.883 4.550 . 0 0 "[ . 1 . 2]" 1
822 1 79 ALA HA 1 82 LEU QD . . 4.570 3.746 2.745 4.506 . 0 0 "[ . 1 . 2]" 1
823 1 80 ALA H 1 80 ALA MB . . 3.060 2.331 2.167 2.996 . 0 0 "[ . 1 . 2]" 1
824 1 80 ALA H 1 104 PHE QD . . 5.500 5.404 4.660 5.595 0.095 16 0 "[ . 1 . 2]" 1
825 1 80 ALA HA 1 83 LEU H . . 4.330 4.051 3.486 4.397 0.067 5 0 "[ . 1 . 2]" 1
826 1 80 ALA HA 1 83 LEU HB3 . . 4.270 4.041 3.275 4.656 0.386 5 0 "[ . 1 . 2]" 1
827 1 80 ALA HA 1 83 LEU QD . . 4.810 4.004 3.315 4.540 . 0 0 "[ . 1 . 2]" 1
828 1 80 ALA HA 1 104 PHE QD . . 3.740 3.543 2.915 3.835 0.095 13 0 "[ . 1 . 2]" 1
829 1 80 ALA MB 1 81 GLN H . . 3.660 2.817 2.112 3.665 0.005 18 0 "[ . 1 . 2]" 1
830 1 80 ALA MB 1 81 GLN HA . . 4.290 3.996 3.487 4.386 0.096 18 0 "[ . 1 . 2]" 1
831 1 80 ALA MB 1 82 LEU H . . 5.040 4.710 4.410 5.118 0.078 18 0 "[ . 1 . 2]" 1
832 1 81 GLN H 1 81 GLN HB3 . . 3.800 2.592 2.203 3.257 . 0 0 "[ . 1 . 2]" 1
833 1 81 GLN H 1 81 GLN HG3 . . 3.800 3.471 2.254 3.868 0.068 16 0 "[ . 1 . 2]" 1
834 1 81 GLN H 1 82 LEU H . . 3.520 2.431 1.776 2.884 . 0 0 "[ . 1 . 2]" 1
835 1 81 GLN H 1 82 LEU QD . . 5.500 4.595 3.625 5.221 . 0 0 "[ . 1 . 2]" 1
836 1 81 GLN H 1 83 LEU H . . 4.630 4.088 3.222 4.642 0.012 7 0 "[ . 1 . 2]" 1
837 1 81 GLN H 1 84 GLN H . . 5.500 5.285 4.825 5.574 0.074 7 0 "[ . 1 . 2]" 1
838 1 81 GLN HA 1 81 GLN HB3 . . 2.880 2.519 2.450 2.592 . 0 0 "[ . 1 . 2]" 1
839 1 81 GLN HA 1 84 GLN H . . 4.000 3.644 3.392 3.887 . 0 0 "[ . 1 . 2]" 1
840 1 81 GLN HA 1 84 GLN HE21 . . 5.500 4.084 2.037 5.563 0.063 15 0 "[ . 1 . 2]" 1
841 1 81 GLN HB3 1 85 ILE MD . . 4.190 5.362 4.632 5.602 1.412 17 19 "[* *************-+***]" 1
842 1 81 GLN HE21 1 82 LEU QD . . 5.070 3.641 2.257 5.347 0.277 11 0 "[ . 1 . 2]" 1
843 1 81 GLN HG3 1 82 LEU H . . 4.790 2.742 2.026 3.177 . 0 0 "[ . 1 . 2]" 1
844 1 81 GLN HG3 1 82 LEU QD . . 5.500 3.263 2.082 4.306 . 0 0 "[ . 1 . 2]" 1
845 1 82 LEU H 1 82 LEU HB3 . . 3.490 3.387 2.512 3.561 0.071 2 0 "[ . 1 . 2]" 1
846 1 82 LEU H 1 82 LEU QD . . 4.470 3.072 2.422 3.695 . 0 0 "[ . 1 . 2]" 1
847 1 82 LEU H 1 83 LEU H . . 3.840 2.785 2.652 3.036 . 0 0 "[ . 1 . 2]" 1
848 1 82 LEU H 1 84 GLN H . . 5.180 4.382 4.222 4.507 . 0 0 "[ . 1 . 2]" 1
849 1 82 LEU H 1 85 ILE MD . . 5.120 4.400 3.916 4.627 . 0 0 "[ . 1 . 2]" 1
850 1 82 LEU HA 1 82 LEU QD . . 3.170 2.070 1.950 2.187 . 0 0 "[ . 1 . 2]" 1
851 1 82 LEU HA 1 85 ILE H . . 4.100 3.353 3.048 3.699 . 0 0 "[ . 1 . 2]" 1
852 1 82 LEU HA 1 85 ILE HB . . 3.740 2.874 2.321 3.386 . 0 0 "[ . 1 . 2]" 1
853 1 82 LEU HA 1 85 ILE MD . . 3.660 2.363 2.100 2.622 . 0 0 "[ . 1 . 2]" 1
854 1 82 LEU HA 1 85 ILE HG13 . . 5.100 3.353 2.670 3.900 . 0 0 "[ . 1 . 2]" 1
855 1 82 LEU HA 1 85 ILE MG . . 4.420 4.222 3.751 4.503 0.083 9 0 "[ . 1 . 2]" 1
856 1 82 LEU HA 1 86 LEU H . . 5.500 4.205 3.887 4.805 . 0 0 "[ . 1 . 2]" 1
857 1 82 LEU HA 1 86 LEU QD . . 5.500 3.506 3.002 4.346 . 0 0 "[ . 1 . 2]" 1
858 1 82 LEU QD 1 83 LEU H . . 5.370 4.165 4.042 4.340 . 0 0 "[ . 1 . 2]" 1
859 1 82 LEU QD 1 83 LEU HA . . 5.500 4.885 4.408 5.119 . 0 0 "[ . 1 . 2]" 1
860 1 82 LEU QD 1 85 ILE HB . . 3.530 2.896 2.160 3.570 0.040 6 0 "[ . 1 . 2]" 1
861 1 82 LEU QD 1 86 LEU QD . . 4.040 2.391 2.078 3.292 . 0 0 "[ . 1 . 2]" 1
862 1 83 LEU H 1 83 LEU HB3 . . 3.450 2.638 2.418 3.046 . 0 0 "[ . 1 . 2]" 1
863 1 83 LEU H 1 83 LEU QD . . 4.090 3.574 3.014 3.737 . 0 0 "[ . 1 . 2]" 1
864 1 83 LEU H 1 84 GLN H . . 3.480 2.885 2.748 2.949 . 0 0 "[ . 1 . 2]" 1
865 1 83 LEU HA 1 83 LEU QD . . 3.470 2.198 2.060 2.719 . 0 0 "[ . 1 . 2]" 1
866 1 83 LEU HA 1 83 LEU HG . . 4.020 2.883 2.173 3.356 . 0 0 "[ . 1 . 2]" 1
867 1 83 LEU HA 1 85 ILE H . . 5.260 4.339 3.892 4.661 . 0 0 "[ . 1 . 2]" 1
868 1 83 LEU HA 1 86 LEU H . . 4.040 3.517 3.246 3.703 . 0 0 "[ . 1 . 2]" 1
869 1 83 LEU HA 1 86 LEU HB3 . . 4.810 4.211 3.752 4.854 0.044 1 0 "[ . 1 . 2]" 1
870 1 83 LEU HA 1 86 LEU QD . . 4.460 2.825 2.328 3.418 . 0 0 "[ . 1 . 2]" 1
871 1 83 LEU HA 1 86 LEU HG . . 5.290 4.412 2.324 5.363 0.073 12 0 "[ . 1 . 2]" 1
872 1 83 LEU HA 1 102 VAL QG . . 4.120 3.098 2.459 3.958 . 0 0 "[ . 1 . 2]" 1
873 1 83 LEU HB3 1 84 GLN H . . 3.990 2.758 2.518 2.993 . 0 0 "[ . 1 . 2]" 1
874 1 83 LEU HB3 1 104 PHE QD . . 5.130 4.327 2.432 5.503 0.373 8 0 "[ . 1 . 2]" 1
875 1 83 LEU QD 1 84 GLN H . . 5.000 4.026 3.825 4.218 . 0 0 "[ . 1 . 2]" 1
876 1 83 LEU QD 1 87 GLN HE21 . . 5.500 3.015 2.262 3.444 . 0 0 "[ . 1 . 2]" 1
877 1 83 LEU QD 1 87 GLN HE22 . . 4.710 3.840 3.276 4.282 . 0 0 "[ . 1 . 2]" 1
878 1 83 LEU QD 1 87 GLN HG3 . . 4.530 4.239 3.377 4.804 0.274 11 0 "[ . 1 . 2]" 1
879 1 83 LEU QD 1 102 VAL HB . . 4.300 3.836 2.170 4.329 0.029 20 0 "[ . 1 . 2]" 1
880 1 83 LEU QD 1 102 VAL QG . . 3.360 2.017 1.876 2.609 . 0 0 "[ . 1 . 2]" 1
881 1 83 LEU QD 1 103 GLU H . . 4.800 2.935 2.034 3.574 . 0 0 "[ . 1 . 2]" 1
882 1 83 LEU QD 1 103 GLU HA . . 3.900 2.559 2.070 3.274 . 0 0 "[ . 1 . 2]" 1
883 1 83 LEU QD 1 104 PHE H . . 4.340 3.281 2.899 3.772 . 0 0 "[ . 1 . 2]" 1
884 1 83 LEU QD 1 104 PHE HA . . 5.000 3.449 2.906 3.992 . 0 0 "[ . 1 . 2]" 1
885 1 83 LEU QD 1 104 PHE HB3 . . 4.150 2.640 1.984 3.791 . 0 0 "[ . 1 . 2]" 1
886 1 83 LEU QD 1 104 PHE QD . . 3.620 2.435 2.003 2.987 . 0 0 "[ . 1 . 2]" 1
887 1 83 LEU QD 1 104 PHE QE . . 4.130 3.421 2.775 3.962 . 0 0 "[ . 1 . 2]" 1
888 1 83 LEU HG 1 84 GLN HA . . 5.010 4.056 3.347 5.062 0.052 9 0 "[ . 1 . 2]" 1
889 1 83 LEU HG 1 87 GLN HE21 . . 5.500 3.185 2.281 4.113 . 0 0 "[ . 1 . 2]" 1
890 1 83 LEU HG 1 87 GLN HG3 . . 4.360 4.068 2.916 4.576 0.216 11 0 "[ . 1 . 2]" 1
891 1 84 GLN H 1 85 ILE H . . 3.600 2.501 2.356 2.618 . 0 0 "[ . 1 . 2]" 1
892 1 84 GLN H 1 85 ILE HA . . 5.360 5.187 5.088 5.289 . 0 0 "[ . 1 . 2]" 1
893 1 84 GLN H 1 85 ILE HB . . 4.630 4.642 4.188 4.709 0.079 8 0 "[ . 1 . 2]" 1
894 1 84 GLN H 1 85 ILE MD . . 4.880 4.860 4.631 4.965 0.085 3 0 "[ . 1 . 2]" 1
895 1 84 GLN H 1 86 LEU H . . 5.230 3.987 3.736 4.254 . 0 0 "[ . 1 . 2]" 1
896 1 84 GLN HA 1 86 LEU H . . 4.350 4.383 4.268 4.424 0.074 17 0 "[ . 1 . 2]" 1
897 1 85 ILE H 1 85 ILE HB . . 3.230 2.445 2.215 2.576 . 0 0 "[ . 1 . 2]" 1
898 1 85 ILE H 1 85 ILE MD . . 3.810 3.500 3.198 3.815 0.005 4 0 "[ . 1 . 2]" 1
899 1 85 ILE H 1 85 ILE HG13 . . 4.100 2.267 1.857 2.732 . 0 0 "[ . 1 . 2]" 1
900 1 85 ILE H 1 85 ILE MG . . 3.850 3.768 3.686 3.813 . 0 0 "[ . 1 . 2]" 1
901 1 85 ILE H 1 86 LEU H . . 3.430 2.455 2.108 2.810 . 0 0 "[ . 1 . 2]" 1
902 1 85 ILE HA 1 85 ILE MD . . 3.790 3.874 3.808 3.895 0.105 17 0 "[ . 1 . 2]" 1
903 1 85 ILE HA 1 85 ILE HG13 . . 3.630 2.972 2.493 3.257 . 0 0 "[ . 1 . 2]" 1
904 1 85 ILE HA 1 85 ILE MG . . 3.360 2.421 2.288 2.641 . 0 0 "[ . 1 . 2]" 1
905 1 85 ILE HA 1 88 ALA H . . 4.660 4.211 3.750 4.590 . 0 0 "[ . 1 . 2]" 1
906 1 85 ILE HA 1 88 ALA MB . . 3.820 3.555 3.102 3.910 0.090 12 0 "[ . 1 . 2]" 1
907 1 85 ILE HB 1 85 ILE MD . . 3.330 2.386 2.281 2.473 . 0 0 "[ . 1 . 2]" 1
908 1 85 ILE HB 1 86 LEU H . . 3.130 2.654 2.538 2.763 . 0 0 "[ . 1 . 2]" 1
909 1 85 ILE HB 1 86 LEU HA . . 5.480 4.320 4.080 4.628 . 0 0 "[ . 1 . 2]" 1
910 1 85 ILE HB 1 86 LEU QD . . 5.300 2.797 2.293 3.321 . 0 0 "[ . 1 . 2]" 1
911 1 85 ILE MD 1 85 ILE MG . . 3.250 2.098 2.049 2.264 . 0 0 "[ . 1 . 2]" 1
912 1 85 ILE MD 1 86 LEU H . . 4.950 4.551 4.389 4.697 . 0 0 "[ . 1 . 2]" 1
913 1 85 ILE MD 1 86 LEU QD . . 5.100 3.980 3.630 4.378 . 0 0 "[ . 1 . 2]" 1
914 1 85 ILE MD 1 89 LEU QD . . 5.320 4.721 4.412 5.289 . 0 0 "[ . 1 . 2]" 1
915 1 85 ILE HG13 1 85 ILE MG . . 3.530 3.239 3.193 3.257 . 0 0 "[ . 1 . 2]" 1
916 1 85 ILE HG13 1 86 LEU H . . 5.140 4.254 3.993 4.606 . 0 0 "[ . 1 . 2]" 1
917 1 85 ILE MG 1 86 LEU H . . 3.820 3.516 3.106 3.709 . 0 0 "[ . 1 . 2]" 1
918 1 85 ILE MG 1 86 LEU HA . . 4.320 3.554 3.160 3.900 . 0 0 "[ . 1 . 2]" 1
919 1 85 ILE MG 1 86 LEU QD . . 4.180 3.052 2.488 3.598 . 0 0 "[ . 1 . 2]" 1
920 1 86 LEU H 1 86 LEU HB3 . . 3.840 3.545 3.394 3.665 . 0 0 "[ . 1 . 2]" 1
921 1 86 LEU H 1 86 LEU QD . . 3.650 2.421 2.215 2.709 . 0 0 "[ . 1 . 2]" 1
922 1 86 LEU H 1 86 LEU HG . . 4.940 3.500 2.008 4.105 . 0 0 "[ . 1 . 2]" 1
923 1 86 LEU HA 1 86 LEU QD . . 3.180 2.459 2.071 2.836 . 0 0 "[ . 1 . 2]" 1
924 1 86 LEU HA 1 88 ALA H . . 5.070 3.469 3.123 3.922 . 0 0 "[ . 1 . 2]" 1
925 1 86 LEU HA 1 89 LEU H . . 4.340 3.756 2.947 4.364 0.024 10 0 "[ . 1 . 2]" 1
926 1 86 LEU HA 1 89 LEU QD . . 3.550 2.424 1.906 3.002 . 0 0 "[ . 1 . 2]" 1
927 1 86 LEU HA 1 89 LEU HG . . 3.520 2.593 2.163 3.615 0.095 10 0 "[ . 1 . 2]" 1
928 1 86 LEU HA 1 102 VAL QG . . 4.680 3.864 3.606 4.233 . 0 0 "[ . 1 . 2]" 1
929 1 86 LEU HB3 1 102 VAL QG . . 3.580 2.226 1.915 3.031 . 0 0 "[ . 1 . 2]" 1
930 1 86 LEU QD 1 87 GLN HG3 . . 5.500 5.961 4.687 6.455 0.955 13 12 "[****. *- 1**+*.* * 2]" 1
931 1 87 GLN H 1 87 GLN HB3 . . 3.290 3.578 3.425 3.654 0.364 5 0 "[ . 1 . 2]" 1
932 1 87 GLN H 1 87 GLN HG3 . . 3.770 3.291 2.158 3.742 . 0 0 "[ . 1 . 2]" 1
933 1 87 GLN H 1 88 ALA H . . 3.400 2.761 2.503 2.922 . 0 0 "[ . 1 . 2]" 1
934 1 87 GLN H 1 88 ALA MB . . 4.220 4.174 3.767 4.302 0.082 4 0 "[ . 1 . 2]" 1
935 1 87 GLN H 1 89 LEU H . . 4.850 4.659 4.235 4.926 0.076 20 0 "[ . 1 . 2]" 1
936 1 87 GLN HA 1 87 GLN HE21 . . 5.500 4.505 3.531 5.023 . 0 0 "[ . 1 . 2]" 1
937 1 87 GLN HA 1 87 GLN HG3 . . 3.490 3.718 3.405 3.758 0.268 10 0 "[ . 1 . 2]" 1
938 1 87 GLN HA 1 89 LEU H . . 4.370 4.180 3.802 4.448 0.078 10 0 "[ . 1 . 2]" 1
939 1 87 GLN HA 1 102 VAL QG . . 4.600 2.385 1.983 3.253 . 0 0 "[ . 1 . 2]" 1
940 1 87 GLN HB3 1 88 ALA H . . 4.050 4.234 4.012 4.424 0.374 5 0 "[ . 1 . 2]" 1
941 1 87 GLN HE21 1 102 VAL QG . . 4.810 2.496 1.927 3.414 . 0 0 "[ . 1 . 2]" 1
942 1 87 GLN HE21 1 103 GLU HA . . 4.930 4.866 4.062 5.010 0.080 2 0 "[ . 1 . 2]" 1
943 1 87 GLN HE22 1 102 VAL QG . . 5.290 2.912 2.236 3.610 . 0 0 "[ . 1 . 2]" 1
944 1 87 GLN HE22 1 103 GLU HA . . 5.440 5.012 4.441 5.514 0.074 9 0 "[ . 1 . 2]" 1
945 1 87 GLN HG3 1 88 ALA H . . 5.500 5.376 4.581 5.578 0.078 7 0 "[ . 1 . 2]" 1
946 1 87 GLN HG3 1 102 VAL QG . . 4.780 3.563 2.974 4.188 . 0 0 "[ . 1 . 2]" 1
947 1 88 ALA H 1 88 ALA MB . . 2.990 2.393 2.248 2.577 . 0 0 "[ . 1 . 2]" 1
948 1 88 ALA H 1 89 LEU H . . 3.360 2.432 2.118 2.711 . 0 0 "[ . 1 . 2]" 1
949 1 88 ALA H 1 89 LEU HA . . 5.120 4.922 4.719 5.175 0.055 3 0 "[ . 1 . 2]" 1
950 1 88 ALA H 1 89 LEU HB3 . . 5.240 4.424 4.091 4.792 . 0 0 "[ . 1 . 2]" 1
951 1 88 ALA H 1 89 LEU QD . . 5.140 3.639 1.951 4.260 . 0 0 "[ . 1 . 2]" 1
952 1 88 ALA H 1 89 LEU HG . . 5.440 3.849 3.488 4.857 . 0 0 "[ . 1 . 2]" 1
953 1 88 ALA MB 1 89 LEU H . . 3.780 3.512 3.170 3.738 . 0 0 "[ . 1 . 2]" 1
954 1 88 ALA MB 1 89 LEU HA . . 5.180 4.308 4.099 4.473 . 0 0 "[ . 1 . 2]" 1
955 1 88 ALA MB 1 89 LEU QD . . 5.500 3.663 2.213 4.272 . 0 0 "[ . 1 . 2]" 1
956 1 89 LEU H 1 89 LEU HB3 . . 3.420 3.274 3.007 3.468 0.048 15 0 "[ . 1 . 2]" 1
957 1 89 LEU H 1 89 LEU QD . . 4.250 3.178 1.691 3.469 . 0 0 "[ . 1 . 2]" 1
958 1 89 LEU H 1 89 LEU HG . . 3.520 2.577 2.147 3.611 0.091 10 0 "[ . 1 . 2]" 1
959 1 89 LEU H 1 90 HIS H . . 4.450 4.437 4.330 4.523 0.073 18 0 "[ . 1 . 2]" 1
960 1 89 LEU HA 1 90 HIS H . . 2.820 2.410 2.264 2.613 . 0 0 "[ . 1 . 2]" 1
961 1 89 LEU QD 1 90 HIS H . . 3.670 2.962 2.577 3.636 . 0 0 "[ . 1 . 2]" 1
962 1 89 LEU HG 1 90 HIS HA . . 4.810 4.650 4.245 4.903 0.093 10 0 "[ . 1 . 2]" 1
963 1 91 PRO HB3 1 93 LEU H . . 4.460 4.149 3.670 4.516 0.056 6 0 "[ . 1 . 2]" 1
964 1 92 PRO HA 1 93 LEU QD . . 5.500 5.017 4.253 5.357 . 0 0 "[ . 1 . 2]" 1
965 1 93 LEU H 1 93 LEU HB3 . . 3.510 3.134 2.146 3.564 0.054 17 0 "[ . 1 . 2]" 1
966 1 93 LEU H 1 93 LEU QD . . 3.900 3.138 2.223 3.731 . 0 0 "[ . 1 . 2]" 1
967 1 93 LEU H 1 93 LEU HG . . 4.530 4.116 2.496 4.593 0.063 18 0 "[ . 1 . 2]" 1
968 1 93 LEU HA 1 93 LEU QD . . 3.190 2.281 1.923 3.152 . 0 0 "[ . 1 . 2]" 1
969 1 93 LEU HA 1 94 THR HA . . 4.750 4.491 4.351 4.755 0.005 10 0 "[ . 1 . 2]" 1
970 1 93 LEU HB3 1 94 THR HA . . 4.820 4.603 4.037 5.799 0.979 5 2 "[ - + 1 . 2]" 1
971 1 93 LEU QD 1 94 THR HA . . 5.030 4.252 2.162 4.912 . 0 0 "[ . 1 . 2]" 1
972 1 94 THR HA 1 94 THR MG . . 3.320 2.376 2.199 2.643 . 0 0 "[ . 1 . 2]" 1
973 1 94 THR HA 1 95 ILE H . . 3.150 2.212 2.024 2.483 . 0 0 "[ . 1 . 2]" 1
974 1 94 THR HA 1 95 ILE MG . . 4.910 3.813 3.250 4.182 . 0 0 "[ . 1 . 2]" 1
975 1 94 THR HA 1 98 LYS H . . 4.740 4.068 3.560 4.817 0.077 14 0 "[ . 1 . 2]" 1
976 1 94 THR HA 1 99 THR MG . . 5.500 4.350 3.563 5.378 . 0 0 "[ . 1 . 2]" 1
977 1 94 THR HA 1 100 ILE MD . . 4.860 4.399 3.886 4.929 0.069 2 0 "[ . 1 . 2]" 1
978 1 94 THR HB 1 95 ILE H . . 4.180 4.184 3.299 4.277 0.097 20 0 "[ . 1 . 2]" 1
979 1 94 THR HB 1 97 GLY H . . 4.960 4.500 3.964 5.026 0.066 11 0 "[ . 1 . 2]" 1
980 1 94 THR HB 1 98 LYS H . . 4.910 4.926 4.657 4.994 0.084 15 0 "[ . 1 . 2]" 1
981 1 94 THR HB 1 99 THR MG . . 4.640 4.597 4.206 4.746 0.106 7 0 "[ . 1 . 2]" 1
982 1 94 THR MG 1 95 ILE H . . 3.690 3.261 1.883 3.787 0.097 19 0 "[ . 1 . 2]" 1
983 1 94 THR MG 1 95 ILE HA . . 4.660 4.381 3.504 4.756 0.096 18 0 "[ . 1 . 2]" 1
984 1 94 THR MG 1 96 ASP H . . 5.160 4.904 4.027 5.253 0.093 7 0 "[ . 1 . 2]" 1
985 1 94 THR MG 1 97 GLY H . . 3.700 2.837 2.240 3.252 . 0 0 "[ . 1 . 2]" 1
986 1 94 THR MG 1 97 GLY HA2 . . 4.040 2.350 2.063 3.024 . 0 0 "[ . 1 . 2]" 1
987 1 94 THR MG 1 97 GLY HA3 . . 5.080 3.706 3.382 4.431 . 0 0 "[ . 1 . 2]" 1
988 1 94 THR MG 1 98 LYS H . . 4.060 2.520 2.046 2.884 . 0 0 "[ . 1 . 2]" 1
989 1 94 THR MG 1 99 THR H . . 5.160 4.024 3.123 4.683 . 0 0 "[ . 1 . 2]" 1
990 1 94 THR MG 1 99 THR HA . . 3.930 3.286 2.263 4.032 0.102 15 0 "[ . 1 . 2]" 1
991 1 94 THR MG 1 99 THR MG . . 3.180 2.484 2.174 3.283 0.103 15 0 "[ . 1 . 2]" 1
992 1 94 THR MG 1 100 ILE MD . . 5.500 4.822 3.420 5.482 . 0 0 "[ . 1 . 2]" 1
993 1 95 ILE H 1 95 ILE MD . . 5.130 4.299 4.071 4.510 . 0 0 "[ . 1 . 2]" 1
994 1 95 ILE H 1 95 ILE MG . . 4.400 2.199 1.982 2.626 . 0 0 "[ . 1 . 2]" 1
995 1 95 ILE H 1 96 ASP H . . 5.000 4.502 4.019 4.702 . 0 0 "[ . 1 . 2]" 1
996 1 95 ILE H 1 97 GLY H . . 5.350 4.254 3.176 4.951 . 0 0 "[ . 1 . 2]" 1
997 1 95 ILE H 1 98 LYS H . . 3.770 3.651 2.912 3.850 0.080 12 0 "[ . 1 . 2]" 1
998 1 95 ILE HA 1 95 ILE MD . . 3.610 2.561 2.044 3.656 0.046 15 0 "[ . 1 . 2]" 1
999 1 95 ILE HA 1 95 ILE HG13 . . 3.070 3.205 2.843 3.655 0.585 18 2 "[ .- 1 . + 2]" 1
1000 1 95 ILE HA 1 95 ILE MG . . 3.420 3.268 3.232 3.292 . 0 0 "[ . 1 . 2]" 1
1001 1 95 ILE HA 1 96 ASP H . . 3.010 2.252 2.075 2.422 . 0 0 "[ . 1 . 2]" 1
1002 1 95 ILE HA 1 97 GLY H . . 4.960 3.733 3.427 4.222 . 0 0 "[ . 1 . 2]" 1
1003 1 95 ILE HB 1 96 ASP H . . 4.630 4.231 4.094 4.421 . 0 0 "[ . 1 . 2]" 1
1004 1 95 ILE MD 1 96 ASP H . . 3.960 2.623 2.191 3.115 . 0 0 "[ . 1 . 2]" 1
1005 1 95 ILE MD 1 96 ASP HA . . 4.510 4.156 3.367 4.592 0.082 17 0 "[ . 1 . 2]" 1
1006 1 95 ILE HG13 1 96 ASP H . . 5.220 3.260 2.373 4.589 . 0 0 "[ . 1 . 2]" 1
1007 1 95 ILE MG 1 96 ASP H . . 3.800 3.831 3.524 3.914 0.114 2 0 "[ . 1 . 2]" 1
1008 1 95 ILE MG 1 96 ASP HB3 . . 5.040 4.001 2.914 5.126 0.086 12 0 "[ . 1 . 2]" 1
1009 1 96 ASP H 1 97 GLY H . . 3.880 3.029 2.848 3.491 . 0 0 "[ . 1 . 2]" 1
1010 1 96 ASP H 1 97 GLY HA2 . . 5.270 5.266 5.134 5.342 0.072 9 0 "[ . 1 . 2]" 1
1011 1 96 ASP H 1 98 LYS H . . 4.940 4.564 4.405 5.007 0.067 11 0 "[ . 1 . 2]" 1
1012 1 96 ASP HA 1 97 GLY H . . 3.540 3.103 2.763 3.511 . 0 0 "[ . 1 . 2]" 1
1013 1 96 ASP HB3 1 97 GLY H . . 5.240 4.066 2.563 4.513 . 0 0 "[ . 1 . 2]" 1
1014 1 97 GLY H 1 98 LYS H . . 3.630 2.497 1.819 2.988 . 0 0 "[ . 1 . 2]" 1
1015 1 97 GLY H 1 98 LYS HG3 . . 5.500 5.225 3.332 6.847 1.347 4 2 "[ +. 1 - . 2]" 1
1016 1 98 LYS H 1 98 LYS HB3 . . 3.450 3.501 2.816 3.703 0.253 9 0 "[ . 1 . 2]" 1
1017 1 98 LYS H 1 98 LYS HD3 . . 4.750 4.310 2.110 5.084 0.334 9 0 "[ . 1 . 2]" 1
1018 1 98 LYS H 1 98 LYS HG3 . . 3.770 3.398 2.346 4.272 0.502 4 1 "[ +. 1 . 2]" 1
1019 1 98 LYS H 1 99 THR H . . 4.810 4.341 3.907 4.633 . 0 0 "[ . 1 . 2]" 1
1020 1 98 LYS HA 1 98 LYS HD3 . . 3.600 3.256 2.042 3.746 0.146 14 0 "[ . 1 . 2]" 1
1021 1 98 LYS HA 1 98 LYS HG3 . . 3.980 3.690 3.576 3.786 . 0 0 "[ . 1 . 2]" 1
1022 1 98 LYS HA 1 99 THR H . . 2.930 2.206 1.973 2.816 . 0 0 "[ . 1 . 2]" 1
1023 1 98 LYS HB3 1 99 THR H . . 4.530 3.337 1.964 4.125 . 0 0 "[ . 1 . 2]" 1
1024 1 98 LYS HD3 1 99 THR H . . 3.980 4.262 3.055 5.670 1.690 6 9 "[ *+ *1 **.** -*]" 1
1025 1 98 LYS HG3 1 99 THR H . . 4.710 5.051 4.481 5.709 0.999 5 7 "[* -+* 1 ** . *]" 1
1026 1 99 THR H 1 99 THR HB . . 3.720 3.631 3.145 3.794 0.074 2 0 "[ . 1 . 2]" 1
1027 1 99 THR H 1 99 THR MG . . 4.030 3.134 2.525 4.002 . 0 0 "[ . 1 . 2]" 1
1028 1 99 THR H 1 100 ILE H . . 5.040 4.425 4.190 4.652 . 0 0 "[ . 1 . 2]" 1
1029 1 99 THR H 1 100 ILE MD . . 5.500 4.563 3.833 5.471 . 0 0 "[ . 1 . 2]" 1
1030 1 99 THR HA 1 99 THR MG . . 3.310 2.222 2.108 2.317 . 0 0 "[ . 1 . 2]" 1
1031 1 99 THR HA 1 100 ILE H . . 3.120 2.352 2.045 2.822 . 0 0 "[ . 1 . 2]" 1
1032 1 99 THR HB 1 100 ILE H . . 5.230 2.911 2.013 3.933 . 0 0 "[ . 1 . 2]" 1
1033 1 99 THR MG 1 100 ILE H . . 3.620 3.498 2.705 3.712 0.092 4 0 "[ . 1 . 2]" 1
1034 1 100 ILE H 1 100 ILE HB . . 3.610 2.608 2.314 2.719 . 0 0 "[ . 1 . 2]" 1
1035 1 100 ILE H 1 100 ILE MD . . 4.340 3.018 2.158 3.743 . 0 0 "[ . 1 . 2]" 1
1036 1 100 ILE H 1 100 ILE MG . . 4.210 3.792 3.688 3.896 . 0 0 "[ . 1 . 2]" 1
1037 1 100 ILE H 1 101 ASN H . . 5.300 4.472 3.945 4.677 . 0 0 "[ . 1 . 2]" 1
1038 1 100 ILE HA 1 100 ILE MD . . 3.360 2.237 2.104 2.384 . 0 0 "[ . 1 . 2]" 1
1039 1 100 ILE HA 1 100 ILE MG . . 3.620 2.333 2.207 2.518 . 0 0 "[ . 1 . 2]" 1
1040 1 100 ILE HA 1 101 ASN H . . 3.080 2.196 1.931 2.483 . 0 0 "[ . 1 . 2]" 1
1041 1 100 ILE HB 1 101 ASN H . . 4.040 4.008 3.512 4.136 0.096 11 0 "[ . 1 . 2]" 1
1042 1 100 ILE MD 1 100 ILE MG . . 3.450 2.277 2.075 3.113 . 0 0 "[ . 1 . 2]" 1
1043 1 100 ILE MD 1 101 ASN H . . 4.450 4.024 3.804 4.231 . 0 0 "[ . 1 . 2]" 1
1044 1 100 ILE MG 1 101 ASN H . . 3.720 2.661 1.956 3.280 . 0 0 "[ . 1 . 2]" 1
1045 1 100 ILE MG 1 101 ASN HB3 . . 5.310 4.845 4.278 5.267 . 0 0 "[ . 1 . 2]" 1
1046 1 101 ASN H 1 101 ASN HB3 . . 3.580 3.312 2.877 3.593 0.013 8 0 "[ . 1 . 2]" 1
1047 1 101 ASN H 1 102 VAL H . . 4.600 4.552 4.304 4.669 0.069 11 0 "[ . 1 . 2]" 1
1048 1 101 ASN H 1 102 VAL QG . . 5.380 4.951 4.528 5.239 . 0 0 "[ . 1 . 2]" 1
1049 1 101 ASN HA 1 101 ASN HD21 . . 4.430 3.916 3.114 4.462 0.032 17 0 "[ . 1 . 2]" 1
1050 1 101 ASN HA 1 101 ASN HD22 . . 5.260 4.147 3.701 4.507 . 0 0 "[ . 1 . 2]" 1
1051 1 101 ASN HA 1 102 VAL H . . 2.870 2.446 2.233 2.911 0.041 13 0 "[ . 1 . 2]" 1
1052 1 101 ASN HA 1 102 VAL HB . . 5.500 4.635 4.096 5.550 0.050 16 0 "[ . 1 . 2]" 1
1053 1 101 ASN HA 1 102 VAL QG . . 4.120 3.145 2.705 3.449 . 0 0 "[ . 1 . 2]" 1
1054 1 101 ASN HB3 1 102 VAL H . . 3.940 2.694 2.277 3.295 . 0 0 "[ . 1 . 2]" 1
1055 1 101 ASN HB3 1 102 VAL QG . . 5.500 4.281 3.953 4.719 . 0 0 "[ . 1 . 2]" 1
1056 1 101 ASN HD21 1 102 VAL H . . 5.030 4.082 2.742 4.834 . 0 0 "[ . 1 . 2]" 1
1057 1 101 ASN HD22 1 102 VAL H . . 5.500 4.507 3.630 5.582 0.082 8 0 "[ . 1 . 2]" 1
1058 1 102 VAL H 1 102 VAL HB . . 3.390 3.035 2.409 3.491 0.101 16 0 "[ . 1 . 2]" 1
1059 1 102 VAL H 1 102 VAL QG . . 3.410 2.305 1.830 2.808 . 0 0 "[ . 1 . 2]" 1
1060 1 102 VAL HA 1 102 VAL QG . . 3.310 2.302 2.072 2.505 . 0 0 "[ . 1 . 2]" 1
1061 1 102 VAL HA 1 103 GLU H . . 3.100 2.245 2.161 2.470 . 0 0 "[ . 1 . 2]" 1
1062 1 102 VAL HB 1 103 GLU H . . 4.400 4.027 2.893 4.465 0.065 6 0 "[ . 1 . 2]" 1
1063 1 102 VAL QG 1 103 GLU H . . 3.770 2.870 2.359 3.509 . 0 0 "[ . 1 . 2]" 1
1064 1 103 GLU H 1 103 GLU HB3 . . 4.060 3.070 2.704 3.792 . 0 0 "[ . 1 . 2]" 1
1065 1 103 GLU H 1 103 GLU HG3 . . 5.170 4.594 3.518 4.792 . 0 0 "[ . 1 . 2]" 1
1066 1 103 GLU H 1 104 PHE H . . 4.420 4.312 4.168 4.419 . 0 0 "[ . 1 . 2]" 1
1067 1 103 GLU HA 1 103 GLU HG3 . . 3.970 2.897 2.301 3.917 . 0 0 "[ . 1 . 2]" 1
1068 1 103 GLU HA 1 104 PHE H . . 3.110 2.607 2.345 2.946 . 0 0 "[ . 1 . 2]" 1
1069 1 103 GLU HG3 1 104 PHE H . . 3.600 2.262 1.683 3.374 . 0 0 "[ . 1 . 2]" 1
1070 1 104 PHE H 1 104 PHE HB3 . . 3.810 3.031 2.470 3.436 . 0 0 "[ . 1 . 2]" 1
1071 1 104 PHE H 1 104 PHE QD . . 4.320 3.292 1.861 4.404 0.084 14 0 "[ . 1 . 2]" 1
1072 1 104 PHE H 1 105 ALA HA . . 5.500 4.773 4.386 5.079 . 0 0 "[ . 1 . 2]" 1
1073 1 104 PHE HA 1 104 PHE QD . . 3.610 3.108 2.156 3.717 0.107 9 0 "[ . 1 . 2]" 1
1074 1 104 PHE HA 1 105 ALA H . . 3.240 2.334 2.080 2.566 . 0 0 "[ . 1 . 2]" 1
1075 1 104 PHE HA 1 105 ALA HA . . 4.980 4.517 4.416 4.602 . 0 0 "[ . 1 . 2]" 1
1076 1 104 PHE HA 1 105 ALA MB . . 4.820 3.900 3.609 4.095 . 0 0 "[ . 1 . 2]" 1
1077 1 104 PHE HB3 1 105 ALA H . . 4.540 3.990 3.334 4.492 . 0 0 "[ . 1 . 2]" 1
1078 1 104 PHE HB3 1 106 LYS H . . 5.500 4.395 2.775 5.515 0.015 9 0 "[ . 1 . 2]" 1
1079 1 104 PHE QD 1 105 ALA H . . 4.320 3.371 2.246 4.173 . 0 0 "[ . 1 . 2]" 1
1080 1 104 PHE QD 1 106 LYS H . . 5.210 3.149 1.904 4.229 . 0 0 "[ . 1 . 2]" 1
1081 1 104 PHE QD 1 106 LYS HG3 . . 4.790 3.851 2.289 5.712 0.922 4 4 "[ +. -1 . ** 2]" 1
1082 1 105 ALA H 1 105 ALA MB . . 3.470 2.441 2.223 2.671 . 0 0 "[ . 1 . 2]" 1
1083 1 105 ALA H 1 106 LYS H . . 5.460 2.977 2.265 3.849 . 0 0 "[ . 1 . 2]" 1
1084 1 105 ALA HA 1 106 LYS H . . 2.970 2.746 2.335 3.047 0.077 15 0 "[ . 1 . 2]" 1
1085 1 105 ALA MB 1 106 LYS H . . 3.680 3.698 3.589 3.768 0.088 5 0 "[ . 1 . 2]" 1
1086 1 106 LYS H 1 106 LYS HB3 . . 3.550 2.556 2.046 2.937 . 0 0 "[ . 1 . 2]" 1
1087 1 106 LYS H 1 106 LYS HG3 . . 4.010 3.347 1.889 4.522 0.512 18 1 "[ . 1 . + 2]" 1
1088 1 106 LYS H 1 107 GLY H . . 5.150 4.522 4.262 4.717 . 0 0 "[ . 1 . 2]" 1
1089 1 106 LYS H 1 107 GLY QA . . 5.180 5.058 4.651 5.260 0.080 11 0 "[ . 1 . 2]" 1
1090 1 106 LYS HA 1 106 LYS HG3 . . 3.900 3.217 2.232 4.222 0.322 1 0 "[ . 1 . 2]" 1
1091 1 106 LYS HA 1 107 GLY H . . 3.140 2.410 2.079 2.861 . 0 0 "[ . 1 . 2]" 1
1092 1 106 LYS HA 1 107 GLY QA . . 4.670 3.976 3.781 4.186 . 0 0 "[ . 1 . 2]" 1
1093 1 106 LYS HG3 1 107 GLY H . . 4.940 3.722 2.569 4.595 . 0 0 "[ . 1 . 2]" 1
1094 1 107 GLY H 1 108 SER H . . 4.290 3.809 1.978 4.371 0.081 9 0 "[ . 1 . 2]" 1
1095 1 107 GLY QA 1 108 SER H . . 2.950 2.279 2.053 2.994 0.044 12 0 "[ . 1 . 2]" 1
1096 1 108 SER HA 1 109 LYS H . . 2.990 2.467 2.107 3.051 0.061 5 0 "[ . 1 . 2]" 1
1097 1 112 MET HA 1 112 MET ME . . 4.180 3.748 2.083 4.275 0.095 5 0 "[ . 1 . 2]" 1
1098 1 112 MET HA 1 113 ALA H . . 3.010 2.455 2.115 3.092 0.082 13 0 "[ . 1 . 2]" 1
1099 1 112 MET ME 1 113 ALA H . . 4.950 3.964 2.076 5.050 0.100 12 0 "[ . 1 . 2]" 1
1100 1 113 ALA H 1 113 ALA MB . . 2.890 2.691 2.240 2.978 0.088 17 0 "[ . 1 . 2]" 1
1101 1 113 ALA HA 1 114 SER H . . 2.740 2.450 2.237 2.799 0.059 11 0 "[ . 1 . 2]" 1
1102 1 113 ALA MB 1 114 SER H . . 3.990 2.676 2.024 3.625 . 0 0 "[ . 1 . 2]" 1
1103 1 114 SER H 1 114 SER HB3 . . 3.660 3.437 2.991 3.754 0.094 20 0 "[ . 1 . 2]" 1
1104 1 119 ARG H 1 119 ARG HB3 . . 4.030 3.070 2.779 3.464 . 0 0 "[ . 1 . 2]" 1
1105 1 119 ARG H 1 120 ILE H . . 3.460 3.378 1.832 3.555 0.095 2 0 "[ . 1 . 2]" 1
1106 1 119 ARG HA 1 120 ILE H . . 3.100 2.264 1.865 3.105 0.005 6 0 "[ . 1 . 2]" 1
1107 1 119 ARG HB3 1 120 ILE H . . 4.710 4.488 4.220 4.713 0.003 9 0 "[ . 1 . 2]" 1
1108 1 120 ILE H 1 120 ILE HB . . 4.010 3.208 2.583 3.875 . 0 0 "[ . 1 . 2]" 1
1109 1 120 ILE H 1 120 ILE MD . . 5.120 3.874 2.196 4.580 . 0 0 "[ . 1 . 2]" 1
1110 1 120 ILE H 1 120 ILE HG13 . . 4.260 3.112 2.104 4.377 0.117 1 0 "[ . 1 . 2]" 1
1111 1 120 ILE H 1 120 ILE MG . . 4.440 3.425 1.808 4.061 . 0 0 "[ . 1 . 2]" 1
1112 1 120 ILE HA 1 120 ILE MD . . 4.560 3.737 2.227 4.232 . 0 0 "[ . 1 . 2]" 1
1113 1 120 ILE HA 1 120 ILE HG13 . . 4.140 3.347 2.281 3.835 . 0 0 "[ . 1 . 2]" 1
1114 1 120 ILE HA 1 121 SER H . . 3.080 2.445 2.138 2.890 . 0 0 "[ . 1 . 2]" 1
1115 1 120 ILE HB 1 121 SER H . . 4.060 3.227 1.896 4.144 0.084 20 0 "[ . 1 . 2]" 1
1116 1 120 ILE HG13 1 121 SER H . . 5.500 4.355 2.248 5.337 . 0 0 "[ . 1 . 2]" 1
1117 1 120 ILE MG 1 121 SER H . . 4.630 2.989 2.079 4.235 . 0 0 "[ . 1 . 2]" 1
1118 1 124 SER HA 1 125 VAL H . . 3.250 2.501 2.257 2.659 . 0 0 "[ . 1 . 2]" 1
1119 1 124 SER HA 1 125 VAL HB . . 4.450 4.487 4.389 4.517 0.067 3 0 "[ . 1 . 2]" 1
1120 1 125 VAL H 1 125 VAL HB . . 4.010 3.048 2.725 3.519 . 0 0 "[ . 1 . 2]" 1
1121 1 125 VAL H 1 125 VAL MG1 . . 4.260 3.381 2.509 3.969 . 0 0 "[ . 1 . 2]" 1
1122 1 125 VAL H 1 126 ALA H . . 4.170 4.087 3.659 4.239 0.069 7 0 "[ . 1 . 2]" 1
1123 1 125 VAL H 1 126 ALA MB . . 5.500 4.173 3.719 4.583 . 0 0 "[ . 1 . 2]" 1
1124 1 125 VAL HA 1 126 ALA H . . 3.310 2.309 2.189 2.515 . 0 0 "[ . 1 . 2]" 1
1125 1 125 VAL HB 1 126 ALA H . . 4.520 4.217 3.919 4.558 0.038 16 0 "[ . 1 . 2]" 1
1126 1 125 VAL MG1 1 126 ALA H . . 4.650 3.285 2.419 4.084 . 0 0 "[ . 1 . 2]" 1
1127 1 125 VAL MG1 1 127 SER H . . 5.500 4.158 2.280 5.518 0.018 9 0 "[ . 1 . 2]" 1
1128 1 126 ALA HA 1 127 SER H . . 3.330 2.397 2.179 3.226 . 0 0 "[ . 1 . 2]" 1
1129 1 126 ALA HA 1 128 THR H . . 4.050 3.911 3.367 4.123 0.073 4 0 "[ . 1 . 2]" 1
1130 1 126 ALA MB 1 127 SER H . . 4.920 3.236 2.366 3.794 . 0 0 "[ . 1 . 2]" 1
1131 1 126 ALA MB 1 128 THR H . . 5.420 3.707 2.527 4.872 . 0 0 "[ . 1 . 2]" 1
1132 1 127 SER H 1 128 THR H . . 3.960 2.391 1.918 3.430 . 0 0 "[ . 1 . 2]" 1
1133 1 127 SER HA 1 128 THR H . . 3.500 3.047 2.564 3.409 . 0 0 "[ . 1 . 2]" 1
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