NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
518527 |
2lgo   |
17818 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgo
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 1417
_Distance_constraint_stats_list.Viol_count 4304
_Distance_constraint_stats_list.Viol_total 42240.738
_Distance_constraint_stats_list.Viol_max 4.285
_Distance_constraint_stats_list.Viol_rms 0.2780
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0745
_Distance_constraint_stats_list.Viol_average_violations_only 0.4907
_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 11 THR 1.050 0.376 17 0 "[ . 1 . 2]"
1 12 LEU 1.050 0.376 17 0 "[ . 1 . 2]"
1 13 GLU 1.842 0.438 2 0 "[ . 1 . 2]"
1 14 ALA 1.095 0.431 2 0 "[ . 1 . 2]"
1 15 GLN 0.086 0.061 6 0 "[ . 1 . 2]"
1 16 THR 0.077 0.061 6 0 "[ . 1 . 2]"
1 17 GLN 0.037 0.037 1 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 51.147 3.007 19 18 "[* ***** *********-+*]"
1 23 SER 0.750 0.283 3 0 "[ . 1 . 2]"
1 24 ALA 31.979 2.704 8 10 "[ * * + 1**-*. ***2]"
1 25 GLN 29.762 1.939 13 11 "[ * .*** 1 *+** * **]"
1 26 LEU 5.934 0.830 6 2 "[ .+ 1- . 2]"
1 27 GLU 17.338 0.888 18 6 "[ **. 1* **. + 2]"
1 28 LYS 14.856 1.048 7 9 "[ * . +* ** **. - *2]"
1 29 LYS 1.914 0.590 7 2 "[ - . + 1 . 2]"
1 30 VAL 13.368 1.268 17 7 "[ * . *** . + -*]"
1 31 LEU 1.578 0.511 3 1 "[ + . 1 . 2]"
1 32 THR 2.801 0.771 1 1 "[+ . 1 . 2]"
1 33 PRO 0.384 0.185 19 0 "[ . 1 . 2]"
1 34 GLY 14.688 0.773 11 4 "[ * -. 1+ * 2]"
1 35 ASP 7.619 1.244 15 3 "[ . 1 * + *2]"
1 36 GLY 0.479 0.265 7 0 "[ . 1 . 2]"
1 37 VAL 28.749 1.591 7 12 "[*** **+* 1*** * *2]"
1 38 THR 214.584 3.788 7 20 [******+***********-*]
1 39 LYS 19.975 2.619 15 7 "[* * . * -1* +* 2]"
1 40 PRO 69.056 2.769 3 20 [**+******-**********]
1 41 GLN 46.084 2.431 19 15 "[******** 1**-*.** +2]"
1 42 ALA 30.618 1.100 18 10 "[ **.***-* *. *+ 2]"
1 43 GLY 14.505 0.966 4 4 "[ **+. 1 . -]"
1 44 LYS 39.759 2.431 19 16 "[******** 1**-**** +2]"
1 45 LYS 26.868 0.950 16 12 "[ *. *-******+* *]"
1 46 VAL 37.345 1.549 3 16 "[**+-. ********** **]"
1 47 THR 12.714 0.824 3 4 "[ + . -1* * . 2]"
1 48 VAL 4.360 0.319 1 0 "[ . 1 . 2]"
1 49 HIS 227.112 3.769 19 20 [*************-****+*]
1 50 TYR 38.431 1.891 13 16 "[-****** *1**+ .*****]"
1 51 ASP 36.045 2.214 13 11 "[ * **-**1 *+ . ** *]"
1 52 GLY 0.545 0.215 10 0 "[ . 1 . 2]"
1 53 ARG 58.024 1.902 12 18 "[***********+* *-***2]"
1 54 PHE 6.965 0.969 8 2 "[ - . + 1 . 2]"
1 55 PRO 65.688 2.575 18 20 [*****************+**]
1 56 ASP 25.991 3.007 19 13 "[* **.** 1 **-* **+*]"
1 57 GLY 18.067 1.165 4 9 "[***+.* 1 *.-* *2]"
1 58 LYS 12.881 0.969 8 8 "[ ** -**+ 1 * . * 2]"
1 59 GLN 61.993 1.902 12 19 "[****-******+* ******]"
1 60 PHE 27.938 2.280 6 13 "[ *-**+ ******** 2]"
1 61 ASP 7.471 1.615 20 5 "[ - * *1 .* +]"
1 62 SER 6.416 0.651 16 3 "[ - . 1 .+ *]"
1 63 SER 9.408 0.696 18 3 "[ . 1 *. -+ 2]"
1 64 ARG 17.263 1.567 13 6 "[ . * 1 +*.*-* 2]"
1 65 SER 0.209 0.150 16 0 "[ . 1 . 2]"
1 66 ARG 10.426 0.993 20 4 "[ * . -1* . +]"
1 67 GLY 16.644 2.749 2 7 "[ +* . * -* * *]"
1 68 LYS 45.060 3.139 2 16 "[ +* ****-1***** ****]"
1 69 PRO 181.319 3.769 19 20 [***************-**+*]
1 70 PHE 18.382 1.677 4 10 "[ **+- * ***.* *2]"
1 71 GLN 31.656 1.204 1 16 "[+*******-1* **** **2]"
1 72 PHE 12.176 0.920 18 11 "[ **** *- 1* *.* +*2]"
1 73 THR 36.541 0.966 4 13 "[ **+.***-1****. * *]"
1 74 LEU 31.582 1.100 18 11 "[ **.* *-* *.**+*2]"
1 75 GLY 7.390 1.428 4 4 "[ * +. 1 *. - 2]"
1 76 ALA 27.635 0.930 18 13 "[*-* .** ****** *+ 2]"
1 77 GLY 24.898 0.960 3 12 "[**+*.** ** *-. ** 2]"
1 78 GLU 12.132 0.945 4 7 "[ - +. ** ** * 2]"
1 79 VAL 45.061 1.549 9 12 "[*-**.** +* **. ** 2]"
1 80 ILE 129.876 2.962 9 17 "[*-******+1 ********]"
1 81 LYS 65.818 2.473 9 16 "[* **** *+1***-.*****]"
1 82 GLY 39.805 1.753 19 17 "[**-*** **** **.***+*]"
1 83 TRP 40.150 2.962 9 9 "[** *.* +1 * -* *2]"
1 84 ASP 13.993 1.428 4 4 "[ * +. 1 *. - 2]"
1 85 GLN 26.023 2.394 16 8 "[* -*. * 1 *.+* *2]"
1 86 GLY 2.149 0.987 17 2 "[ - . 1 . + 2]"
1 87 VAL 7.311 0.614 16 3 "[ * . 1 .+ -2]"
1 88 ALA 6.171 1.702 7 3 "[ -. + 1* . 2]"
1 89 THR 5.115 1.159 2 4 "[*+ .- 1* . 2]"
1 90 MET 25.435 1.518 4 10 "[**-+.** *** *. 2]"
1 91 THR 82.352 2.830 7 18 "[-** **+********** **]"
1 92 LEU 95.024 2.522 15 20 [******-*******+*****]
1 93 GLY 10.628 1.193 17 10 "[* **.* 1 *.*+-**]"
1 94 GLU 35.867 1.518 4 16 "[**-+.** ** * *******]"
1 95 LYS 7.356 1.092 4 4 "[* -+. *1 . 2]"
1 96 ALA 11.178 1.268 17 5 "[ . - * . + **]"
1 97 LEU 77.289 1.534 2 20 [*+*************-****]
1 98 PHE 36.164 1.441 4 14 "[***+* *1* **.**-**]"
1 99 THR 15.428 0.888 18 3 "[ *. 1 . + -]"
1 100 ILE 110.612 2.436 9 20 [**-*****+***********]
1 102 TYR 35.098 1.357 11 10 "[* * . * **+ * * - *2]"
1 103 GLN 24.409 2.704 8 9 "[ * * + 1** *. **-2]"
1 104 LEU 113.210 2.394 16 18 "[* **** -*******+****]"
1 105 ALA 58.487 2.707 9 11 "[***** +1* **.* *2]"
1 106 TYR 116.726 4.285 4 20 [***+**-*************]
1 107 GLY 10.243 0.902 8 9 "[ * * + 1 ***- * *]"
1 108 GLU 29.584 1.936 7 14 "[* * .*+ *** ****-**2]"
1 109 ARG 1.773 0.280 15 0 "[ . 1 . 2]"
1 110 GLY 17.731 2.192 4 15 "[ **+*** **** ** **-]"
1 111 TYR 122.324 2.752 15 20 [**************+*****]
1 114 VAL 26.647 2.280 6 12 "[ *-**+ * ****** 2]"
1 115 ILE 159.302 4.285 4 20 [***+**********-*****]
1 117 PRO 0.190 0.190 17 0 "[ . 1 . 2]"
1 118 LYS 27.154 1.936 7 13 "[ * .*+ -** *******2]"
1 119 ALA 8.127 0.956 9 2 "[ .- +1 . 2]"
1 120 THR 54.651 1.708 12 19 "[********** +*****-**]"
1 121 LEU 87.079 3.435 4 20 [***+**************-*]
1 122 VAL 29.938 1.939 13 16 "[ ***.*** * *+****-**]"
1 123 PHE 96.983 1.435 4 20 [***+**************-*]
1 124 GLU 92.993 2.436 9 20 [********+*********-*]
1 125 VAL 22.980 1.120 11 20 [-*********+*********]
1 126 GLU 4.945 1.460 9 1 "[ . +1 . 2]"
1 127 LEU 47.925 1.260 1 16 "[+***.** ** * *******]"
1 128 LEU 74.413 2.333 20 20 [********-**********+]
1 129 ALA 50.307 1.549 3 16 "[**+ .******-***** *2]"
1 130 VAL 167.192 3.788 7 19 "[******+**-****** ***]"
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 28 LYS QB 1 29 LYS H 4.060 . 4.060 3.435 2.912 3.606 . 0 0 "[ . 1 . 2]" 1
2 1 28 LYS QB 1 30 VAL H 5.210 . 5.210 5.128 4.860 5.389 0.179 4 0 "[ . 1 . 2]" 1
3 1 28 LYS QG 1 30 VAL H . . 4.770 4.985 3.866 5.658 0.888 3 4 "[ + . ** . -2]" 1
4 1 11 THR HB 1 12 LEU H 4.520 . 4.520 3.775 1.928 4.473 . 0 0 "[ . 1 . 2]" 1
5 1 11 THR HA 1 11 THR MG 3.340 . 3.340 2.564 2.282 3.227 . 0 0 "[ . 1 . 2]" 1
6 1 17 GLN HA 1 17 GLN HG2 4.240 . 4.240 3.261 2.512 3.802 . 0 0 "[ . 1 . 2]" 1
7 1 17 GLN HA 1 17 GLN HG3 4.240 . 4.240 3.170 2.450 4.277 0.037 1 0 "[ . 1 . 2]" 1
8 1 23 SER HA 1 24 ALA MB 4.840 . 4.840 4.309 3.967 5.015 0.175 12 0 "[ . 1 . 2]" 1
9 1 23 SER HB2 1 24 ALA MB 5.500 . 5.500 4.607 3.422 5.783 0.283 3 0 "[ . 1 . 2]" 1
10 1 23 SER HB3 1 24 ALA MB 5.500 . 5.500 4.601 3.613 5.532 0.032 19 0 "[ . 1 . 2]" 1
11 1 25 GLN HA 1 26 LEU H 2.890 . 2.890 2.230 2.177 2.377 . 0 0 "[ . 1 . 2]" 1
12 1 25 GLN HA 1 25 GLN HG2 4.180 . 4.180 2.932 2.550 3.733 . 0 0 "[ . 1 . 2]" 1
13 1 25 GLN HA 1 25 GLN HG3 4.180 . 4.180 3.588 3.078 4.266 0.086 19 0 "[ . 1 . 2]" 1
14 1 24 ALA MB 1 25 GLN HA 4.880 . 4.880 4.249 3.913 4.364 . 0 0 "[ . 1 . 2]" 1
15 1 25 GLN HB3 1 26 LEU H 4.180 . 4.180 3.097 2.420 4.186 0.006 19 0 "[ . 1 . 2]" 1
16 1 41 GLN H 1 41 GLN HB2 3.810 . 3.810 3.549 2.427 4.025 0.215 5 0 "[ . 1 . 2]" 1
17 1 41 GLN HA 1 42 ALA MB 4.020 . 4.020 4.081 3.956 4.227 0.207 11 0 "[ . 1 . 2]" 1
18 1 41 GLN HA 1 74 LEU QD 4.300 . 4.300 3.478 2.703 4.550 0.250 6 0 "[ . 1 . 2]" 1
19 1 26 LEU HA 1 27 GLU H 3.300 . 3.300 2.167 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
20 1 25 GLN H 1 26 LEU QB . . 4.770 4.918 4.314 5.600 0.830 6 1 "[ .+ 1 . 2]" 1
21 1 27 GLU QB 1 99 THR HB . . 3.300 2.991 1.897 4.188 0.888 18 2 "[ -. 1 . + 2]" 1
22 1 27 GLU H 1 27 GLU QB . . 3.300 2.600 2.365 2.816 . 0 0 "[ . 1 . 2]" 1
23 1 27 GLU QB 1 28 LYS H 4.290 . 4.290 3.175 2.392 3.599 . 0 0 "[ . 1 . 2]" 1
24 1 27 GLU QG 1 28 LYS H . . 4.230 4.169 3.858 4.693 0.463 15 0 "[ . 1 . 2]" 1
25 1 27 GLU QG 1 99 THR H 5.460 . 5.460 5.181 4.465 5.754 0.294 18 0 "[ . 1 . 2]" 1
26 1 27 GLU QG 1 99 THR HB 4.340 . 4.340 3.983 2.883 4.979 0.639 18 1 "[ . 1 . + 2]" 1
27 1 27 GLU H 1 27 GLU QG . . 3.880 3.138 2.859 3.635 . 0 0 "[ . 1 . 2]" 1
28 1 30 VAL HA 1 31 LEU H 3.150 . 3.150 2.151 2.125 2.189 . 0 0 "[ . 1 . 2]" 1
29 1 30 VAL HA 1 96 ALA HA 4.630 . 4.630 2.338 1.714 2.761 0.086 1 0 "[ . 1 . 2]" 1
30 1 31 LEU MD1 1 32 THR H 5.380 . 5.380 4.511 3.690 4.861 . 0 0 "[ . 1 . 2]" 1
31 1 31 LEU MD2 1 32 THR H 5.380 . 5.380 4.458 3.615 4.825 . 0 0 "[ . 1 . 2]" 1
32 1 30 VAL MG2 1 31 LEU H 4.390 . 4.390 3.232 2.455 4.227 . 0 0 "[ . 1 . 2]" 1
33 1 30 VAL H 1 30 VAL MG2 3.900 . 3.900 3.366 2.049 3.814 . 0 0 "[ . 1 . 2]" 1
34 1 31 LEU HB2 1 32 THR H 4.500 . 4.500 3.317 2.447 4.078 . 0 0 "[ . 1 . 2]" 1
35 1 31 LEU HB3 1 32 THR H 4.500 . 4.500 3.297 2.347 3.985 . 0 0 "[ . 1 . 2]" 1
36 1 31 LEU HG 1 32 THR H 5.020 . 5.020 4.538 3.718 5.486 0.466 3 0 "[ . 1 . 2]" 1
37 1 32 THR HB 1 95 LYS QB . . 3.290 2.161 1.773 3.600 0.310 1 0 "[ . 1 . 2]" 1
38 1 32 THR HB 1 95 LYS H 3.530 . 3.530 2.543 2.086 3.048 . 0 0 "[ . 1 . 2]" 1
39 1 33 PRO HA 1 94 GLU QG 4.070 . 4.070 2.587 2.196 3.027 . 0 0 "[ . 1 . 2]" 1
40 1 33 PRO HB3 1 34 GLY H 4.310 . 4.310 3.778 3.297 4.048 . 0 0 "[ . 1 . 2]" 1
41 1 34 GLY HA3 1 94 GLU HA 4.130 . 4.130 3.185 2.772 3.498 . 0 0 "[ . 1 . 2]" 1
42 1 34 GLY HA3 1 94 GLU HB2 4.290 . 4.290 1.893 1.688 2.227 0.112 12 0 "[ . 1 . 2]" 1
43 1 34 GLY HA3 1 94 GLU HB3 4.600 . 4.600 3.552 3.406 3.875 . 0 0 "[ . 1 . 2]" 1
44 1 34 GLY HA2 1 94 GLU HB2 4.160 . 4.160 3.205 2.758 3.605 . 0 0 "[ . 1 . 2]" 1
45 1 34 GLY HA2 1 94 GLU HB3 4.860 . 4.860 4.779 4.358 5.176 0.316 11 0 "[ . 1 . 2]" 1
46 1 35 ASP HA 1 37 VAL MG2 4.480 . 4.480 4.088 3.584 4.966 0.486 12 0 "[ . 1 . 2]" 1
47 1 36 GLY HA3 1 91 THR MG 4.140 . 4.140 3.524 3.139 3.780 . 0 0 "[ . 1 . 2]" 1
48 1 36 GLY HA2 1 91 THR MG 4.140 . 4.140 2.017 1.755 2.323 0.045 20 0 "[ . 1 . 2]" 1
49 1 37 VAL HA 1 37 VAL MG1 3.130 . 3.130 2.371 2.332 2.444 . 0 0 "[ . 1 . 2]" 1
50 1 37 VAL MG1 1 38 THR H 4.150 . 4.150 4.015 3.908 4.229 0.079 4 0 "[ . 1 . 2]" 1
51 1 37 VAL H 1 37 VAL MG1 3.470 . 3.470 2.423 2.240 2.678 . 0 0 "[ . 1 . 2]" 1
52 1 37 VAL MG2 1 38 THR H 3.250 . 3.250 2.468 2.092 3.005 . 0 0 "[ . 1 . 2]" 1
53 1 37 VAL H 1 37 VAL MG2 2.940 . 2.940 2.039 1.945 2.222 . 0 0 "[ . 1 . 2]" 1
54 1 38 THR HA 1 39 LYS H 2.830 . 2.830 2.190 2.109 2.253 . 0 0 "[ . 1 . 2]" 1
55 1 38 THR HA 1 130 VAL QG 5.500 . 5.500 5.154 3.835 7.641 2.141 15 6 "[* * . * 1- +* 2]" 1
56 1 38 THR H 1 38 THR HB 4.080 . 4.080 3.533 2.647 3.621 . 0 0 "[ . 1 . 2]" 1
57 1 38 THR HB 1 92 LEU H 4.280 . 4.280 3.422 2.727 4.815 0.535 7 1 "[ . + 1 . 2]" 1
58 1 38 THR HB 1 91 THR MG 3.990 . 3.990 4.932 4.264 6.820 2.830 7 17 "[** **+*-******** **]" 1
59 1 38 THR MG 1 39 LYS H 3.710 . 3.710 3.895 3.073 4.172 0.462 17 0 "[ . 1 . 2]" 1
60 1 38 THR MG 1 130 VAL H 4.800 . 4.800 5.730 4.431 7.229 2.429 7 13 "[**- . +********* 2]" 1
61 1 37 VAL H 1 38 THR MG 4.520 . 4.520 4.119 3.379 5.481 0.961 15 1 "[ . 1 + 2]" 1
62 1 38 THR HA 1 38 THR MG 3.010 . 3.010 2.284 2.227 2.352 . 0 0 "[ . 1 . 2]" 1
63 1 38 THR MG 1 92 LEU HA 4.680 . 4.680 5.031 4.122 6.054 1.374 7 5 "[ * . +- 1 ** . 2]" 1
64 1 38 THR MG 1 130 VAL HB 4.350 . 4.350 5.886 4.107 8.138 3.788 7 17 "[***-.*+********* **2]" 1
65 1 38 THR MG 1 92 LEU HG 3.120 . 3.120 4.195 2.753 5.101 1.981 2 15 "[*+* *****1-** .** **]" 1
66 1 38 THR MG 1 92 LEU QD . . 2.550 2.522 1.859 3.461 0.911 14 3 "[ . * +. - 2]" 1
67 1 40 PRO HB3 1 41 GLN H 3.970 . 3.970 3.716 3.261 4.269 0.299 12 0 "[ . 1 . 2]" 1
68 1 40 PRO HB3 1 46 VAL QG 4.740 . 4.740 3.417 2.658 4.505 . 0 0 "[ . 1 . 2]" 1
69 1 40 PRO HB2 1 46 VAL QG 4.740 . 4.740 3.659 2.380 5.286 0.546 20 2 "[ -. 1 . +]" 1
70 1 38 THR HB 1 40 PRO QG 4.690 . 4.690 5.587 3.953 7.401 2.711 8 13 "[** * + * **-*****2]" 1
71 1 38 THR HB 1 40 PRO QD 4.080 . 4.080 4.499 3.149 5.751 1.671 8 8 "[ * * + * *-* * 2]" 1
72 1 40 PRO QD 1 130 VAL HB 4.990 . 4.990 6.085 4.416 7.759 2.769 3 14 "[**+-******* * * * 2]" 1
73 1 40 PRO QD 1 91 THR MG 3.780 . 3.780 3.020 2.237 4.220 0.440 11 0 "[ . 1 . 2]" 1
74 1 42 ALA HA 1 74 LEU H 4.660 . 4.660 4.793 4.150 5.395 0.735 14 3 "[ . -1 +. * 2]" 1
75 1 42 ALA HA 1 74 LEU QB 3.830 . 3.830 2.811 2.142 3.822 . 0 0 "[ . 1 . 2]" 1
76 1 42 ALA HA 1 74 LEU HG 3.830 . 3.830 2.773 2.387 3.698 . 0 0 "[ . 1 . 2]" 1
77 1 42 ALA HA 1 73 THR MG 4.530 . 4.530 4.804 4.275 5.247 0.717 3 5 "[ +*.*- *1 . 2]" 1
78 1 42 ALA HA 1 74 LEU QD 3.490 . 3.490 2.993 2.305 4.171 0.681 18 1 "[ . 1 . + 2]" 1
79 1 42 ALA MB 1 43 GLY H 3.400 . 3.400 2.670 2.320 3.385 . 0 0 "[ . 1 . 2]" 1
80 1 42 ALA MB 1 75 GLY H 5.060 . 5.060 4.424 3.944 5.064 0.004 14 0 "[ . 1 . 2]" 1
81 1 42 ALA MB 1 44 LYS H 4.840 . 4.840 4.346 4.103 4.817 . 0 0 "[ . 1 . 2]" 1
82 1 42 ALA MB 1 74 LEU HA 5.050 . 5.050 5.324 4.815 5.873 0.823 14 5 "[ . - * +. ** 2]" 1
83 1 43 GLY HA3 1 73 THR MG 3.740 . 3.740 4.017 3.564 4.706 0.966 4 4 "[ **+. 1 . -]" 1
84 1 44 LYS HA 1 45 LYS HB3 5.170 . 5.170 4.665 4.444 4.891 . 0 0 "[ . 1 . 2]" 1
85 1 41 GLN HG2 1 44 LYS QG 5.500 . 5.500 3.675 2.136 6.482 0.982 19 1 "[ . 1 . +2]" 1
86 1 41 GLN HG3 1 44 LYS QG 5.500 . 5.500 3.039 1.986 5.302 . 0 0 "[ . 1 . 2]" 1
87 1 45 LYS HA 1 46 VAL QG . . 3.910 3.378 3.327 3.417 . 0 0 "[ . 1 . 2]" 1
88 1 45 LYS H 1 45 LYS HB2 3.550 . 3.550 2.626 2.434 2.751 . 0 0 "[ . 1 . 2]" 1
89 1 45 LYS HB3 1 46 VAL H 4.310 . 4.310 4.336 4.006 4.482 0.172 16 0 "[ . 1 . 2]" 1
90 1 45 LYS HB2 1 46 VAL H 4.410 . 4.410 4.386 3.994 4.500 0.090 20 0 "[ . 1 . 2]" 1
91 1 45 LYS HB3 1 46 VAL HA 4.910 . 4.910 4.874 4.554 5.064 0.154 16 0 "[ . 1 . 2]" 1
92 1 45 LYS HB3 1 45 LYS HE2 5.190 . 5.190 4.449 3.497 5.039 . 0 0 "[ . 1 . 2]" 1
93 1 45 LYS HB3 1 45 LYS HE3 5.190 . 5.190 3.999 3.555 5.148 . 0 0 "[ . 1 . 2]" 1
94 1 45 LYS HG2 1 46 VAL H 4.670 . 4.670 4.864 4.066 5.120 0.450 9 0 "[ . 1 . 2]" 1
95 1 45 LYS HD2 1 46 VAL H 5.390 . 5.390 4.275 3.386 4.549 . 0 0 "[ . 1 . 2]" 1
96 1 45 LYS H 1 45 LYS HE2 5.500 . 5.500 5.404 3.898 6.178 0.678 4 6 "[ +. *-1 ***. 2]" 1
97 1 45 LYS H 1 45 LYS HE3 5.500 . 5.500 4.998 4.107 6.450 0.950 16 3 "[ . - .+ *]" 1
98 1 46 VAL HA 1 129 ALA MB 5.500 . 5.500 4.813 3.834 5.680 0.180 3 0 "[ . 1 . 2]" 1
99 1 46 VAL HB 1 129 ALA H 5.030 . 5.030 4.845 4.403 5.362 0.332 8 0 "[ . 1 . 2]" 1
100 1 46 VAL HB 1 129 ALA MB 4.680 . 4.680 5.553 4.823 6.229 1.549 3 14 "[**+ . *******-** *2]" 1
101 1 46 VAL HB 1 48 VAL QG 3.500 . 3.500 2.915 2.519 3.236 . 0 0 "[ . 1 . 2]" 1
102 1 46 VAL H 1 46 VAL QG . . 3.140 2.012 1.922 2.263 . 0 0 "[ . 1 . 2]" 1
103 1 46 VAL QG 1 47 THR H 3.770 . 3.770 3.323 3.204 3.404 . 0 0 "[ . 1 . 2]" 1
104 1 46 VAL QG 1 72 PHE H 3.950 . 3.950 2.953 2.760 3.125 . 0 0 "[ . 1 . 2]" 1
105 1 46 VAL QG 1 72 PHE QD 3.800 . 3.800 3.224 2.941 3.490 . 0 0 "[ . 1 . 2]" 1
106 1 46 VAL QG 1 48 VAL HA 5.130 . 5.130 4.733 4.547 5.124 . 0 0 "[ . 1 . 2]" 1
107 1 46 VAL QG 1 74 LEU QD 3.260 . 3.260 2.329 1.802 2.893 . 0 0 "[ . 1 . 2]" 1
108 1 46 VAL QG 1 48 VAL QG 2.710 . 2.710 2.077 1.843 2.514 . 0 0 "[ . 1 . 2]" 1
109 1 46 VAL QG 1 130 VAL H 4.880 . 4.880 4.923 4.468 5.478 0.598 9 1 "[ . +1 . 2]" 1
110 1 46 VAL QG 1 130 VAL HB 4.310 . 4.310 3.298 2.156 4.446 0.136 5 0 "[ . 1 . 2]" 1
111 1 47 THR HA 1 48 VAL HA 4.630 . 4.630 4.428 4.416 4.448 . 0 0 "[ . 1 . 2]" 1
112 1 47 THR HA 1 48 VAL QG 4.560 . 4.560 3.302 3.230 3.386 . 0 0 "[ . 1 . 2]" 1
113 1 47 THR HB 1 48 VAL HA 4.780 . 4.780 4.868 4.729 4.962 0.182 19 0 "[ . 1 . 2]" 1
114 1 48 VAL H 1 48 VAL QG . . 3.220 2.072 1.998 2.185 . 0 0 "[ . 1 . 2]" 1
115 1 48 VAL QG 1 128 LEU H 3.480 . 3.480 3.585 3.197 3.799 0.319 1 0 "[ . 1 . 2]" 1
116 1 48 VAL QG 1 50 TYR QD . . 3.580 3.221 2.587 3.535 . 0 0 "[ . 1 . 2]" 1
117 1 48 VAL HA 1 48 VAL QG 3.210 . 3.210 2.342 2.306 2.394 . 0 0 "[ . 1 . 2]" 1
118 1 48 VAL QG 1 49 HIS HA 4.300 . 4.300 3.266 2.957 3.480 . 0 0 "[ . 1 . 2]" 1
119 1 47 THR MG 1 48 VAL H 3.330 . 3.330 3.072 2.856 3.151 . 0 0 "[ . 1 . 2]" 1
120 1 47 THR MG 1 128 LEU H 4.570 . 4.570 3.849 3.621 4.010 . 0 0 "[ . 1 . 2]" 1
121 1 47 THR H 1 47 THR MG 3.930 . 3.930 3.832 3.805 3.866 . 0 0 "[ . 1 . 2]" 1
122 1 47 THR MG 1 71 GLN QE 4.380 . 4.380 2.881 2.390 3.522 . 0 0 "[ . 1 . 2]" 1
123 1 47 THR MG 1 48 VAL HA 4.090 . 4.090 3.974 3.885 4.088 . 0 0 "[ . 1 . 2]" 1
124 1 49 HIS HA 1 49 HIS HD2 4.630 . 4.630 2.931 2.324 4.394 . 0 0 "[ . 1 . 2]" 1
125 1 49 HIS QB 1 50 TYR H 4.790 . 4.790 3.531 2.735 3.726 . 0 0 "[ . 1 . 2]" 1
126 1 49 HIS QB 1 126 GLU HB2 5.000 . 5.000 3.478 3.033 4.014 . 0 0 "[ . 1 . 2]" 1
127 1 49 HIS QB 1 126 GLU QG . . 4.620 3.134 2.848 3.745 . 0 0 "[ . 1 . 2]" 1
128 1 49 HIS HD2 1 50 TYR HA 4.420 . 4.420 4.884 3.431 6.311 1.891 13 7 "[ * *** 1 + . - *]" 1
129 1 50 TYR HA 1 124 GLU QB 5.380 . 5.380 4.308 3.907 4.737 . 0 0 "[ . 1 . 2]" 1
130 1 50 TYR HB3 1 123 PHE QD 4.670 . 4.670 3.469 2.409 5.466 0.796 17 2 "[ - . 1 . + 2]" 1
131 1 50 TYR HB2 1 123 PHE QD 4.630 . 4.630 3.966 2.318 5.106 0.476 13 0 "[ . 1 . 2]" 1
132 1 50 TYR HB3 1 125 VAL QG 4.320 . 4.320 3.629 2.056 4.521 0.201 11 0 "[ . 1 . 2]" 1
133 1 50 TYR HB2 1 125 VAL QG 4.810 . 4.810 4.498 2.558 5.500 0.690 11 2 "[- . 1+ . 2]" 1
134 1 51 ASP HB2 1 124 GLU H 3.970 . 3.970 3.943 2.847 4.765 0.795 17 8 "[ * .*-**1 * . +* 2]" 1
135 1 51 ASP HB2 1 124 GLU QB 4.200 . 4.200 2.482 1.443 3.409 0.357 11 0 "[ . 1 . 2]" 1
136 1 51 ASP HB3 1 124 GLU QB 4.200 . 4.200 2.510 1.494 3.927 0.306 9 0 "[ . 1 . 2]" 1
137 1 51 ASP HB3 1 124 GLU H 3.970 . 3.970 3.581 2.829 4.769 0.799 20 1 "[ . 1 . +]" 1
138 1 51 ASP HA 1 124 GLU H 4.430 . 4.430 4.705 4.511 4.918 0.488 20 0 "[ . 1 . 2]" 1
139 1 52 GLY HA2 1 124 GLU H 4.050 . 4.050 3.906 3.271 4.265 0.215 10 0 "[ . 1 . 2]" 1
140 1 52 GLY HA2 1 123 PHE QD 4.480 . 4.480 2.902 2.466 3.397 . 0 0 "[ . 1 . 2]" 1
141 1 53 ARG QB 1 59 GLN H 4.710 . 4.710 5.679 4.993 6.612 1.902 12 17 "[***********+* .-***2]" 1
142 1 53 ARG QB 1 59 GLN HA . . 4.800 4.217 3.121 5.020 0.220 4 0 "[ . 1 . 2]" 1
143 1 53 ARG HA 1 60 PHE H 4.350 . 4.350 3.648 1.955 4.800 0.450 13 0 "[ . 1 . 2]" 1
144 1 53 ARG QG 1 59 GLN H 4.750 . 4.750 4.006 3.237 5.075 0.325 12 0 "[ . 1 . 2]" 1
145 1 53 ARG H 1 53 ARG QG 4.800 . 4.800 4.163 4.031 4.253 . 0 0 "[ . 1 . 2]" 1
146 1 53 ARG QG 1 60 PHE H 5.500 . 5.500 5.008 3.661 6.079 0.579 4 1 "[ +. 1 . 2]" 1
147 1 53 ARG QG 1 54 PHE QD 5.410 . 5.410 4.268 3.688 5.248 . 0 0 "[ . 1 . 2]" 1
148 1 53 ARG QG 1 122 VAL HB 4.600 . 4.600 3.489 2.808 4.535 . 0 0 "[ . 1 . 2]" 1
149 1 53 ARG QD 1 59 GLN H 5.030 . 5.030 5.306 4.368 6.601 1.571 19 5 "[ * *. - 1 . *+2]" 1
150 1 55 PRO HA 1 120 THR MG 4.610 . 4.610 5.700 5.005 6.318 1.708 12 19 "[********** +*-******]" 1
151 1 55 PRO QB 1 120 THR MG 4.690 . 4.690 4.289 3.466 5.036 0.346 12 0 "[ . 1 . 2]" 1
152 1 55 PRO QG 1 120 THR MG . . 3.650 3.810 2.787 5.055 1.405 15 5 "[ * * 1 * + - 2]" 1
153 1 19 PRO HG2 1 55 PRO QG 4.980 . 4.980 3.927 1.800 5.260 0.280 19 0 "[ . 1 . 2]" 1
154 1 19 PRO HG3 1 55 PRO QG 4.980 . 4.980 3.973 2.388 5.767 0.787 20 1 "[ . 1 . +]" 1
155 1 54 PHE HA 1 55 PRO QG 4.640 . 4.640 3.938 3.718 4.119 . 0 0 "[ . 1 . 2]" 1
156 1 54 PHE HB2 1 55 PRO HD3 4.710 . 4.710 4.675 4.225 5.083 0.373 3 0 "[ . 1 . 2]" 1
157 1 54 PHE HB3 1 55 PRO HD3 4.710 . 4.710 3.494 2.993 4.082 . 0 0 "[ . 1 . 2]" 1
158 1 54 PHE HB3 1 55 PRO HD2 4.710 . 4.710 2.311 1.980 2.613 . 0 0 "[ . 1 . 2]" 1
159 1 54 PHE HB2 1 55 PRO HD2 4.710 . 4.710 3.838 3.545 4.185 . 0 0 "[ . 1 . 2]" 1
160 1 53 ARG QD 1 57 GLY HA2 . . 4.080 3.198 2.017 4.456 0.376 16 0 "[ . 1 . 2]" 1
161 1 53 ARG QB 1 57 GLY HA2 5.230 . 5.230 5.293 4.615 6.216 0.986 3 3 "[ + . 1 .- *2]" 1
162 1 58 LYS HB2 1 59 GLN H 5.360 . 5.360 3.989 2.422 4.358 . 0 0 "[ . 1 . 2]" 1
163 1 58 LYS HB3 1 59 GLN H 5.360 . 5.360 3.946 3.646 4.434 . 0 0 "[ . 1 . 2]" 1
164 1 58 LYS H 1 58 LYS HG2 4.900 . 4.900 4.331 2.320 4.580 . 0 0 "[ . 1 . 2]" 1
165 1 58 LYS H 1 58 LYS HG3 4.900 . 4.900 4.506 3.412 4.825 . 0 0 "[ . 1 . 2]" 1
166 1 54 PHE QD 1 58 LYS QD 5.500 . 5.500 4.174 2.773 5.957 0.457 3 0 "[ . 1 . 2]" 1
167 1 59 GLN HA 1 61 ASP H 4.340 . 4.340 4.305 3.740 5.208 0.868 5 1 "[ + 1 . 2]" 1
168 1 53 ARG QG 1 59 GLN HA 3.920 . 3.920 3.207 1.964 4.280 0.360 4 0 "[ . 1 . 2]" 1
169 1 59 GLN H 1 59 GLN QG . . 3.640 2.508 1.918 4.070 0.430 17 0 "[ . 1 . 2]" 1
170 1 59 GLN QG 1 60 PHE H . . 3.810 3.648 2.398 4.254 0.444 18 0 "[ . 1 . 2]" 1
171 1 59 GLN QG 1 61 ASP H . . 3.830 3.446 2.427 5.445 1.615 20 3 "[ - . 1 .* +]" 1
172 1 60 PHE HB2 1 61 ASP H 4.750 . 4.750 3.815 3.545 4.265 . 0 0 "[ . 1 . 2]" 1
173 1 60 PHE QD 1 61 ASP HB2 3.890 . 3.890 3.071 2.395 4.697 0.807 9 1 "[ . +1 . 2]" 1
174 1 60 PHE QD 1 61 ASP HB3 3.890 . 3.890 2.884 2.479 3.863 . 0 0 "[ . 1 . 2]" 1
175 1 63 SER H 1 64 ARG HA 4.970 . 4.970 5.074 4.795 5.257 0.287 4 0 "[ . 1 . 2]" 1
176 1 64 ARG HA 1 68 LYS H 4.830 . 4.830 4.526 3.377 5.434 0.604 8 1 "[ . + 1 . 2]" 1
177 1 63 SER HA 1 64 ARG HA 5.350 . 5.350 4.811 4.737 4.902 . 0 0 "[ . 1 . 2]" 1
178 1 49 HIS QB 1 64 ARG HA 5.500 . 5.500 5.214 3.138 6.090 0.590 16 1 "[ . 1 .+ 2]" 1
179 1 64 ARG HA 1 64 ARG HD2 5.290 . 5.290 4.981 3.999 5.568 0.278 12 0 "[ . 1 . 2]" 1
180 1 64 ARG HB2 1 65 SER H 4.940 . 4.940 3.855 3.612 4.109 . 0 0 "[ . 1 . 2]" 1
181 1 64 ARG HB2 1 64 ARG HD2 4.050 . 4.050 3.282 2.505 3.766 . 0 0 "[ . 1 . 2]" 1
182 1 64 ARG HB3 1 64 ARG HD2 4.100 . 4.100 3.351 2.437 4.181 0.081 10 0 "[ . 1 . 2]" 1
183 1 64 ARG HA 1 64 ARG HD3 5.290 . 5.290 4.861 4.046 5.558 0.268 19 0 "[ . 1 . 2]" 1
184 1 64 ARG HB3 1 64 ARG HD3 4.100 . 4.100 3.191 2.347 3.879 . 0 0 "[ . 1 . 2]" 1
185 1 64 ARG HB2 1 64 ARG HD3 4.050 . 4.050 2.959 2.420 4.074 0.024 14 0 "[ . 1 . 2]" 1
186 1 64 ARG HA 1 65 SER HA 5.080 . 5.080 4.783 4.717 4.855 . 0 0 "[ . 1 . 2]" 1
187 1 66 ARG HA 1 66 ARG HD2 4.760 . 4.760 3.749 2.088 5.048 0.288 6 0 "[ . 1 . 2]" 1
188 1 66 ARG HA 1 66 ARG HD3 4.760 . 4.760 3.807 1.967 4.709 . 0 0 "[ . 1 . 2]" 1
189 1 66 ARG HA 1 66 ARG HG2 4.040 . 4.040 2.965 2.413 3.683 . 0 0 "[ . 1 . 2]" 1
190 1 66 ARG HA 1 66 ARG HG3 4.040 . 4.040 3.374 2.498 3.826 . 0 0 "[ . 1 . 2]" 1
191 1 67 GLY QA 1 68 LYS HB2 . . 4.580 4.676 4.380 4.919 0.339 17 0 "[ . 1 . 2]" 1
192 1 49 HIS HE1 1 67 GLY QA . . 4.590 4.559 2.938 7.339 2.749 2 6 "[ +* . * -* *]" 1
193 1 47 THR MG 1 69 PRO HA 4.640 . 4.640 4.236 3.195 5.114 0.474 16 0 "[ . 1 . 2]" 1
194 1 69 PRO HA 1 128 LEU HG 4.770 . 4.770 4.541 3.382 5.430 0.660 7 1 "[ . + 1 . 2]" 1
195 1 49 HIS HA 1 69 PRO HA 4.500 . 4.500 3.406 2.527 4.232 . 0 0 "[ . 1 . 2]" 1
196 1 68 LYS H 1 69 PRO HA 5.100 . 5.100 5.133 4.757 5.449 0.349 19 0 "[ . 1 . 2]" 1
197 1 48 VAL H 1 69 PRO QB 5.500 . 5.500 4.293 3.505 5.049 . 0 0 "[ . 1 . 2]" 1
198 1 47 THR MG 1 69 PRO QB . . 3.300 2.357 1.889 2.907 . 0 0 "[ . 1 . 2]" 1
199 1 69 PRO QB 1 128 LEU HG . . 3.380 2.915 2.145 4.108 0.728 7 1 "[ . + 1 . 2]" 1
200 1 69 PRO QB 1 70 PHE H . . 3.630 2.678 2.164 3.783 0.153 19 0 "[ . 1 . 2]" 1
201 1 69 PRO QG 1 128 LEU HG . . 2.970 4.069 3.016 5.160 2.190 17 16 "[* ****** 1******+-*2]" 1
202 1 49 HIS HE1 1 69 PRO QG 5.500 . 5.500 7.405 4.090 9.094 3.594 14 18 "[****.******* +*-****]" 1
203 1 47 THR MG 1 69 PRO QG 3.530 . 3.530 3.328 2.308 4.220 0.690 3 1 "[ + . 1 . 2]" 1
204 1 68 LYS H 1 69 PRO HD3 5.010 . 5.010 4.288 3.931 4.625 . 0 0 "[ . 1 . 2]" 1
205 1 68 LYS H 1 69 PRO HD2 5.010 . 5.010 5.153 4.867 5.387 0.377 16 0 "[ . 1 . 2]" 1
206 1 48 VAL H 1 71 GLN HA 4.160 . 4.160 2.979 2.630 3.246 . 0 0 "[ . 1 . 2]" 1
207 1 71 GLN HA 1 72 PHE H 3.000 . 3.000 2.191 2.166 2.239 . 0 0 "[ . 1 . 2]" 1
208 1 71 GLN HA 1 72 PHE QD 4.410 . 4.410 3.646 3.248 4.365 . 0 0 "[ . 1 . 2]" 1
209 1 47 THR HA 1 71 GLN HA 4.280 . 4.280 2.327 2.192 2.474 . 0 0 "[ . 1 . 2]" 1
210 1 47 THR MG 1 71 GLN HA 4.160 . 4.160 3.773 3.478 3.960 . 0 0 "[ . 1 . 2]" 1
211 1 46 VAL QG 1 71 GLN HA 4.550 . 4.550 3.954 3.826 4.111 . 0 0 "[ . 1 . 2]" 1
212 1 47 THR MG 1 71 GLN HG2 3.930 . 3.930 2.295 1.971 2.646 . 0 0 "[ . 1 . 2]" 1
213 1 47 THR MG 1 71 GLN HG3 3.930 . 3.930 2.736 2.558 2.938 . 0 0 "[ . 1 . 2]" 1
214 1 45 LYS HA 1 73 THR HA 3.670 . 3.670 2.137 1.747 2.411 0.053 16 0 "[ . 1 . 2]" 1
215 1 73 THR HA 1 73 THR MG 3.320 . 3.320 2.366 2.309 2.430 . 0 0 "[ . 1 . 2]" 1
216 1 46 VAL QG 1 73 THR HA 4.970 . 4.970 3.503 3.352 3.713 . 0 0 "[ . 1 . 2]" 1
217 1 73 THR HA 1 74 LEU QB 4.570 . 4.570 4.082 4.061 4.127 . 0 0 "[ . 1 . 2]" 1
218 1 73 THR HB 1 74 LEU H 4.360 . 4.360 4.324 4.181 4.392 0.032 9 0 "[ . 1 . 2]" 1
219 1 43 GLY HA2 1 73 THR MG 3.740 . 3.740 2.711 2.245 3.347 . 0 0 "[ . 1 . 2]" 1
220 1 45 LYS HA 1 73 THR MG 4.140 . 4.140 3.537 3.129 3.803 . 0 0 "[ . 1 . 2]" 1
221 1 44 LYS H 1 73 THR MG 3.780 . 3.780 3.247 2.455 3.922 0.142 6 0 "[ . 1 . 2]" 1
222 1 73 THR MG 1 74 LEU H 3.390 . 3.390 3.081 2.823 3.244 . 0 0 "[ . 1 . 2]" 1
223 1 74 LEU HA 1 74 LEU HG 4.180 . 4.180 3.172 3.086 3.245 . 0 0 "[ . 1 . 2]" 1
224 1 74 LEU HA 1 74 LEU QD 3.350 . 3.350 2.064 1.993 2.120 . 0 0 "[ . 1 . 2]" 1
225 1 46 VAL QG 1 74 LEU QB 4.700 . 4.700 2.058 1.793 2.636 0.007 4 0 "[ . 1 . 2]" 1
226 1 42 ALA H 1 74 LEU QB 4.950 . 4.950 4.985 4.383 5.597 0.647 18 1 "[ . 1 . + 2]" 1
227 1 74 LEU QD 1 75 GLY H . . 3.660 2.167 1.902 2.661 . 0 0 "[ . 1 . 2]" 1
228 1 43 GLY H 1 74 LEU QD 4.250 . 4.250 4.365 3.923 4.728 0.478 16 0 "[ . 1 . 2]" 1
229 1 41 GLN H 1 74 LEU QD 4.310 . 4.310 3.262 2.530 4.269 . 0 0 "[ . 1 . 2]" 1
230 1 74 LEU H 1 74 LEU QD 4.290 . 4.290 3.713 3.657 3.742 . 0 0 "[ . 1 . 2]" 1
231 1 44 LYS H 1 74 LEU QD 4.900 . 4.900 4.266 3.843 4.653 . 0 0 "[ . 1 . 2]" 1
232 1 74 LEU QD 1 88 ALA H . . 3.680 3.272 2.903 4.314 0.634 4 1 "[ +. 1 . 2]" 1
233 1 74 LEU QD 1 87 VAL H 4.720 . 4.720 4.434 4.156 4.897 0.177 4 0 "[ . 1 . 2]" 1
234 1 74 LEU QD 1 75 GLY QA 4.720 . 4.720 3.468 3.335 3.737 . 0 0 "[ . 1 . 2]" 1
235 1 74 LEU QD 1 87 VAL HB 4.350 . 4.350 4.151 3.547 4.964 0.614 16 3 "[ * . 1 .+ -2]" 1
236 1 75 GLY QA 1 84 ASP QB . . 4.390 4.731 3.884 5.818 1.428 4 4 "[ * +. 1 *. - 2]" 1
237 1 74 LEU HG 1 75 GLY QA 4.290 . 4.290 3.377 3.223 3.718 . 0 0 "[ . 1 . 2]" 1
238 1 73 THR MG 1 76 ALA HA 4.580 . 4.580 4.734 4.247 5.323 0.743 14 3 "[ * . 1 - +. 2]" 1
239 1 73 THR MG 1 76 ALA MB 2.750 . 2.750 2.679 2.229 3.406 0.656 14 1 "[ . 1 +. 2]" 1
240 1 73 THR HB 1 76 ALA MB 3.230 . 3.230 2.371 1.930 2.840 . 0 0 "[ . 1 . 2]" 1
241 1 74 LEU HA 1 76 ALA MB 4.690 . 4.690 4.525 4.265 4.980 0.290 14 0 "[ . 1 . 2]" 1
242 1 76 ALA MB 1 78 GLU HA 5.140 . 5.140 4.522 4.317 4.929 . 0 0 "[ . 1 . 2]" 1
243 1 75 GLY H 1 76 ALA MB 4.850 . 4.850 4.345 4.009 4.621 . 0 0 "[ . 1 . 2]" 1
244 1 76 ALA MB 1 78 GLU HB2 3.690 . 3.690 3.648 3.025 4.119 0.429 18 0 "[ . 1 . 2]" 1
245 1 76 ALA MB 1 77 GLY HA2 5.500 . 5.500 4.274 4.133 4.397 . 0 0 "[ . 1 . 2]" 1
246 1 76 ALA MB 1 77 GLY HA3 5.500 . 5.500 4.201 4.079 4.487 . 0 0 "[ . 1 . 2]" 1
247 1 76 ALA MB 1 78 GLU HG2 3.690 . 3.690 2.426 1.867 4.440 0.750 15 2 "[ . 1- + 2]" 1
248 1 76 ALA MB 1 78 GLU HG3 3.690 . 3.690 3.037 2.494 3.499 . 0 0 "[ . 1 . 2]" 1
249 1 78 GLU H 1 78 GLU HG2 4.050 . 4.050 2.468 1.976 4.159 0.109 15 0 "[ . 1 . 2]" 1
250 1 78 GLU H 1 78 GLU HG3 4.050 . 4.050 3.472 2.248 3.884 . 0 0 "[ . 1 . 2]" 1
251 1 78 GLU HG2 1 79 VAL QG 5.310 . 5.310 4.607 4.261 5.041 . 0 0 "[ . 1 . 2]" 1
252 1 78 GLU HG3 1 79 VAL QG 5.310 . 5.310 4.473 4.266 4.816 . 0 0 "[ . 1 . 2]" 1
253 1 79 VAL HA 1 79 VAL QG 3.060 . 3.060 2.323 2.300 2.356 . 0 0 "[ . 1 . 2]" 1
254 1 79 VAL HA 1 80 ILE MD 5.390 . 5.390 5.493 5.227 5.741 0.351 19 0 "[ . 1 . 2]" 1
255 1 79 VAL HA 1 80 ILE H 3.430 . 3.430 2.480 2.353 2.581 . 0 0 "[ . 1 . 2]" 1
256 1 79 VAL HB 1 80 ILE H 3.590 . 3.590 2.291 2.105 2.578 . 0 0 "[ . 1 . 2]" 1
257 1 79 VAL HB 1 80 ILE QG 4.520 . 4.520 3.231 2.901 3.925 . 0 0 "[ . 1 . 2]" 1
258 1 79 VAL HB 1 80 ILE MD 4.900 . 4.900 4.792 4.460 5.492 0.592 9 1 "[ . +1 . 2]" 1
259 1 79 VAL HB 1 80 ILE MG 4.050 . 4.050 4.267 3.956 4.798 0.748 9 2 "[ - . +1 . 2]" 1
260 1 80 ILE HA 1 81 LYS H 3.130 . 3.130 2.300 2.215 2.466 . 0 0 "[ . 1 . 2]" 1
261 1 80 ILE HA 1 82 GLY H 4.750 . 4.750 4.075 3.905 4.381 . 0 0 "[ . 1 . 2]" 1
262 1 80 ILE HA 1 81 LYS QB 4.550 . 4.550 4.313 4.086 4.615 0.065 2 0 "[ . 1 . 2]" 1
263 1 80 ILE HA 1 81 LYS QG 5.250 . 5.250 4.715 3.595 5.717 0.467 14 0 "[ . 1 . 2]" 1
264 1 80 ILE HA 1 80 ILE MD 4.220 . 4.220 4.206 4.195 4.219 . 0 0 "[ . 1 . 2]" 1
265 1 80 ILE HA 1 80 ILE MG 3.130 . 3.130 2.335 2.285 2.413 . 0 0 "[ . 1 . 2]" 1
266 1 80 ILE MD 1 81 LYS H 4.770 . 4.770 4.615 4.175 4.811 0.041 8 0 "[ . 1 . 2]" 1
267 1 80 ILE HB 1 80 ILE MD 3.370 . 3.370 2.471 2.438 2.503 . 0 0 "[ . 1 . 2]" 1
268 1 80 ILE MD 1 100 ILE MG 2.850 . 2.850 2.672 1.969 4.074 1.224 9 1 "[ . +1 . 2]" 1
269 1 80 ILE HB 1 104 LEU QB 4.450 . 4.450 4.401 3.378 5.387 0.937 9 2 "[ . +1 . -2]" 1
270 1 80 ILE HB 1 100 ILE MG 4.350 . 4.350 4.902 4.017 6.766 2.416 9 11 "[ *-** +1 **.** **]" 1
271 1 80 ILE H 1 80 ILE MG 3.360 . 3.360 2.302 2.175 2.602 . 0 0 "[ . 1 . 2]" 1
272 1 80 ILE MG 1 81 LYS H 4.040 . 4.040 3.741 3.563 3.936 . 0 0 "[ . 1 . 2]" 1
273 1 80 ILE MG 1 100 ILE MG 3.990 . 3.990 4.851 4.123 6.365 2.375 9 15 "[ ** **-*+1 ********]" 1
274 1 80 ILE MD 1 80 ILE MG 2.850 . 2.850 1.939 1.901 1.978 . 0 0 "[ . 1 . 2]" 1
275 1 80 ILE QG 1 82 GLY H 4.880 . 4.880 2.634 2.095 3.238 . 0 0 "[ . 1 . 2]" 1
276 1 80 ILE H 1 80 ILE QG . . 4.150 1.978 1.824 2.145 . 0 0 "[ . 1 . 2]" 1
277 1 80 ILE QG 1 104 LEU QB 4.410 . 4.410 4.535 3.798 5.026 0.616 6 3 "[ .+ 1 - . *2]" 1
278 1 80 ILE QG 1 83 TRP H . . 3.460 1.909 1.639 2.841 0.161 11 0 "[ . 1 . 2]" 1
279 1 72 PHE QD 1 79 VAL QG 3.820 . 3.820 2.924 2.475 3.387 . 0 0 "[ . 1 . 2]" 1
280 1 79 VAL QG 1 83 TRP HE3 . . 3.440 2.468 2.215 2.971 . 0 0 "[ . 1 . 2]" 1
281 1 79 VAL QG 1 83 TRP HB2 3.260 . 3.260 2.501 2.186 2.811 . 0 0 "[ . 1 . 2]" 1
282 1 81 LYS HA 1 83 TRP H 4.850 . 4.850 4.445 4.164 4.798 . 0 0 "[ . 1 . 2]" 1
283 1 81 LYS HA 1 81 LYS QD 3.250 . 3.250 2.133 1.660 3.004 0.140 3 0 "[ . 1 . 2]" 1
284 1 81 LYS HA 1 104 LEU QD 5.330 . 5.330 5.023 4.207 6.032 0.702 19 2 "[ -. 1 . +2]" 1
285 1 81 LYS QB 1 104 LEU QD . . 3.870 2.930 2.020 4.122 0.252 19 0 "[ . 1 . 2]" 1
286 1 81 LYS QG 1 104 LEU QD 4.020 . 4.020 4.239 3.294 5.473 1.453 19 8 "[- **. *1 * .** +2]" 1
287 1 66 ARG HG3 1 68 LYS H 5.500 . 5.500 5.307 2.673 6.084 0.584 9 1 "[ . +1 . 2]" 1
288 1 81 LYS H 1 81 LYS QD 4.860 . 4.860 3.870 2.539 4.465 . 0 0 "[ . 1 . 2]" 1
289 1 82 GLY QA 1 85 GLN H . . 4.370 3.820 3.522 4.060 . 0 0 "[ . 1 . 2]" 1
290 1 81 LYS QB 1 82 GLY QA . . 4.500 3.843 3.727 3.973 . 0 0 "[ . 1 . 2]" 1
291 1 82 GLY QA 1 104 LEU QB 4.270 . 4.270 2.558 2.069 3.529 . 0 0 "[ . 1 . 2]" 1
292 1 82 GLY QA 1 100 ILE MG 3.370 . 3.370 2.727 1.985 3.891 0.521 4 1 "[ +. 1 . 2]" 1
293 1 82 GLY QA 1 104 LEU QD 3.750 . 3.750 2.627 2.018 3.228 . 0 0 "[ . 1 . 2]" 1
294 1 80 ILE MD 1 82 GLY QA 4.960 . 4.960 3.257 2.752 3.735 . 0 0 "[ . 1 . 2]" 1
295 1 80 ILE QG 1 83 TRP HB2 4.030 . 4.030 2.947 2.484 3.996 . 0 0 "[ . 1 . 2]" 1
296 1 80 ILE MD 1 83 TRP HB2 4.920 . 4.920 4.221 3.709 5.442 0.522 9 1 "[ . +1 . 2]" 1
297 1 79 VAL QG 1 83 TRP HB3 5.500 . 5.500 3.040 2.639 3.422 . 0 0 "[ . 1 . 2]" 1
298 1 83 TRP HA 1 83 TRP HE3 5.200 . 5.200 5.216 4.996 5.263 0.063 2 0 "[ . 1 . 2]" 1
299 1 83 TRP HA 1 83 TRP HD1 3.810 . 3.810 2.281 2.149 2.624 . 0 0 "[ . 1 . 2]" 1
300 1 83 TRP HA 1 100 ILE MD 4.100 . 4.100 3.225 2.883 3.747 . 0 0 "[ . 1 . 2]" 1
301 1 80 ILE MD 1 83 TRP HA 4.760 . 4.760 4.927 4.534 6.430 1.670 9 3 "[ - . +1 .* 2]" 1
302 1 79 VAL QG 1 83 TRP HA 4.880 . 4.880 4.498 4.237 4.762 . 0 0 "[ . 1 . 2]" 1
303 1 85 GLN HA 1 89 THR H 5.500 . 5.500 4.001 3.916 4.094 . 0 0 "[ . 1 . 2]" 1
304 1 85 GLN HA 1 85 GLN HG2 4.140 . 4.140 2.766 2.494 3.234 . 0 0 "[ . 1 . 2]" 1
305 1 85 GLN HA 1 85 GLN HG3 4.140 . 4.140 2.995 2.490 3.839 . 0 0 "[ . 1 . 2]" 1
306 1 83 TRP H 1 84 ASP QB 4.780 . 4.780 4.219 4.066 4.337 . 0 0 "[ . 1 . 2]" 1
307 1 81 LYS HA 1 84 ASP QB 3.820 . 3.820 1.868 1.517 2.374 0.283 8 0 "[ . 1 . 2]" 1
308 1 81 LYS QD 1 84 ASP QB . . 4.460 2.518 1.979 4.189 . 0 0 "[ . 1 . 2]" 1
309 1 74 LEU QD 1 84 ASP QB . . 4.520 3.822 2.851 4.613 0.093 4 0 "[ . 1 . 2]" 1
310 1 79 VAL QG 1 84 ASP QB 4.050 . 4.050 2.409 2.065 2.825 . 0 0 "[ . 1 . 2]" 1
311 1 81 LYS QG 1 84 ASP QB 5.120 . 5.120 3.625 2.863 4.614 . 0 0 "[ . 1 . 2]" 1
312 1 84 ASP H 1 84 ASP QB . . 3.070 2.225 2.079 2.256 . 0 0 "[ . 1 . 2]" 1
313 1 85 GLN H 1 85 GLN HB3 3.550 . 3.550 3.328 2.447 3.619 0.069 8 0 "[ . 1 . 2]" 1
314 1 85 GLN HB3 1 86 GLY H 3.920 . 3.920 3.395 2.492 3.783 . 0 0 "[ . 1 . 2]" 1
315 1 66 ARG HG2 1 68 LYS H 5.500 . 5.500 5.499 4.316 6.493 0.993 20 3 "[ - . 1* . +]" 1
316 1 82 GLY QA 1 85 GLN HB2 4.790 . 4.790 3.656 3.066 4.340 . 0 0 "[ . 1 . 2]" 1
317 1 82 GLY QA 1 85 GLN HB3 4.790 . 4.790 4.629 2.922 5.393 0.603 16 3 "[ - . 1 .+ *2]" 1
318 1 86 GLY HA3 1 98 PHE QD 4.710 . 4.710 3.856 2.872 4.704 . 0 0 "[ . 1 . 2]" 1
319 1 86 GLY HA3 1 89 THR MG 4.090 . 4.090 3.806 3.649 4.025 . 0 0 "[ . 1 . 2]" 1
320 1 86 GLY HA2 1 98 PHE QD 4.710 . 4.710 3.412 2.563 4.447 . 0 0 "[ . 1 . 2]" 1
321 1 87 VAL HA 1 90 MET QG 4.080 . 4.080 2.227 1.889 3.034 . 0 0 "[ . 1 . 2]" 1
322 1 87 VAL HB 1 88 ALA H 4.100 . 4.100 3.997 3.928 4.111 0.011 1 0 "[ . 1 . 2]" 1
323 1 46 VAL QG 1 87 VAL HB 5.450 . 5.450 4.433 3.440 5.549 0.099 6 0 "[ . 1 . 2]" 1
324 1 87 VAL H 1 87 VAL MG1 3.900 . 3.900 2.122 1.836 2.290 . 0 0 "[ . 1 . 2]" 1
325 1 74 LEU QD 1 88 ALA HA 3.230 . 3.230 2.526 1.947 3.937 0.707 4 1 "[ +. 1 . 2]" 1
326 1 40 PRO QG 1 88 ALA HA 4.110 . 4.110 3.517 2.426 5.812 1.702 7 2 "[ . + 1- . 2]" 1
327 1 88 ALA H 1 88 ALA MB 2.820 . 2.820 2.250 2.241 2.266 . 0 0 "[ . 1 . 2]" 1
328 1 88 ALA MB 1 89 THR H 3.720 . 3.720 2.852 2.689 3.079 . 0 0 "[ . 1 . 2]" 1
329 1 87 VAL H 1 88 ALA MB 4.460 . 4.460 4.201 4.160 4.256 . 0 0 "[ . 1 . 2]" 1
330 1 85 GLN HA 1 88 ALA MB 3.120 . 3.120 2.140 1.854 2.581 . 0 0 "[ . 1 . 2]" 1
331 1 74 LEU QD 1 88 ALA MB 3.040 . 3.040 2.022 1.543 3.732 0.692 4 1 "[ +. 1 . 2]" 1
332 1 89 THR HA 1 89 THR MG 3.370 . 3.370 3.223 3.217 3.228 . 0 0 "[ . 1 . 2]" 1
333 1 86 GLY H 1 89 THR MG 4.870 . 4.870 4.381 4.152 4.718 . 0 0 "[ . 1 . 2]" 1
334 1 89 THR MG 1 98 PHE QD 5.300 . 5.300 3.501 2.255 4.909 . 0 0 "[ . 1 . 2]" 1
335 1 88 ALA H 1 89 THR MG 4.450 . 4.450 4.024 3.835 4.198 . 0 0 "[ . 1 . 2]" 1
336 1 85 GLN HA 1 89 THR MG 4.780 . 4.780 4.691 4.448 5.040 0.260 19 0 "[ . 1 . 2]" 1
337 1 86 GLY HA2 1 89 THR MG 4.090 . 4.090 2.483 2.290 2.795 . 0 0 "[ . 1 . 2]" 1
338 1 87 VAL HA 1 90 MET HB2 5.500 . 5.500 4.965 4.641 5.323 . 0 0 "[ . 1 . 2]" 1
339 1 87 VAL HA 1 90 MET HB3 5.500 . 5.500 4.018 3.611 4.545 . 0 0 "[ . 1 . 2]" 1
340 1 90 MET ME 1 96 ALA H 3.230 . 3.230 2.453 1.999 3.404 0.174 4 0 "[ . 1 . 2]" 1
341 1 90 MET ME 1 127 LEU H 3.430 . 3.430 3.273 1.918 3.967 0.537 4 1 "[ +. 1 . 2]" 1
342 1 90 MET H 1 90 MET ME 4.600 . 4.600 4.161 3.627 4.840 0.240 11 0 "[ . 1 . 2]" 1
343 1 90 MET ME 1 91 THR H 4.280 . 4.280 4.217 3.342 4.766 0.486 9 0 "[ . 1 . 2]" 1
344 1 90 MET ME 1 126 GLU HA 3.320 . 3.320 2.802 2.129 3.580 0.260 4 0 "[ . 1 . 2]" 1
345 1 90 MET ME 1 94 GLU HA 4.760 . 4.760 5.028 3.917 6.278 1.518 4 6 "[ -+. * ** *. 2]" 1
346 1 87 VAL HA 1 90 MET ME 4.000 . 4.000 2.922 1.874 4.206 0.206 2 0 "[ . 1 . 2]" 1
347 1 90 MET ME 1 94 GLU QG 3.040 . 3.040 2.977 2.211 4.187 1.147 4 3 "[ +. - *1 . 2]" 1
348 1 90 MET ME 1 96 ALA MB 2.750 . 2.750 2.404 1.991 3.088 0.338 1 0 "[ . 1 . 2]" 1
349 1 34 GLY HA3 1 91 THR HA 5.500 . 5.500 5.664 5.239 6.273 0.773 11 2 "[ . 1+ - 2]" 1
350 1 91 THR HA 1 91 THR MG 3.500 . 3.500 2.315 2.266 2.353 . 0 0 "[ . 1 . 2]" 1
351 1 91 THR HA 1 127 LEU HG 4.330 . 4.330 3.995 3.323 5.123 0.793 7 1 "[ . + 1 . 2]" 1
352 1 38 THR MG 1 91 THR HA 5.270 . 5.270 5.782 4.912 7.570 2.300 7 7 "[** . +* 1 ** . -2]" 1
353 1 36 GLY H 1 91 THR HB 4.010 . 4.010 2.491 2.126 2.758 . 0 0 "[ . 1 . 2]" 1
354 1 34 GLY HA3 1 91 THR HB 4.630 . 4.630 4.312 3.869 4.963 0.333 11 0 "[ . 1 . 2]" 1
355 1 92 LEU HG 1 93 GLY H 4.560 . 4.560 3.479 2.805 4.832 0.272 18 0 "[ . 1 . 2]" 1
356 1 92 LEU H 1 92 LEU QD . . 3.820 3.723 3.498 3.794 . 0 0 "[ . 1 . 2]" 1
357 1 92 LEU HA 1 92 LEU QD . . 3.090 2.686 1.924 3.069 . 0 0 "[ . 1 . 2]" 1
358 1 92 LEU QD 1 129 ALA HA . . 2.910 2.270 1.775 2.870 0.025 10 0 "[ . 1 . 2]" 1
359 1 94 GLU HA 1 95 LYS H 3.040 . 3.040 2.202 2.107 2.297 . 0 0 "[ . 1 . 2]" 1
360 1 94 GLU HA 1 94 GLU QG 3.850 . 3.850 2.375 2.305 2.477 . 0 0 "[ . 1 . 2]" 1
361 1 94 GLU HA 1 95 LYS QB 4.740 . 4.740 4.028 3.921 4.287 . 0 0 "[ . 1 . 2]" 1
362 1 32 THR MG 1 94 GLU HA 4.370 . 4.370 3.456 2.812 4.001 . 0 0 "[ . 1 . 2]" 1
363 1 34 GLY H 1 94 GLU HB2 4.490 . 4.490 2.552 2.206 2.984 . 0 0 "[ . 1 . 2]" 1
364 1 94 GLU QG 1 95 LYS H 4.010 . 4.010 2.475 2.220 2.818 . 0 0 "[ . 1 . 2]" 1
365 1 95 LYS HA 1 127 LEU H 4.930 . 4.930 3.521 3.217 3.767 . 0 0 "[ . 1 . 2]" 1
366 1 90 MET ME 1 95 LYS HA 4.250 . 4.250 2.774 2.105 4.142 . 0 0 "[ . 1 . 2]" 1
367 1 95 LYS QB 1 95 LYS QE . . 4.380 2.472 1.810 3.683 . 0 0 "[ . 1 . 2]" 1
368 1 32 THR MG 1 95 LYS QB 4.300 . 4.300 3.561 3.239 4.637 0.337 1 0 "[ . 1 . 2]" 1
369 1 31 LEU HG 1 95 LYS QB 5.280 . 5.280 4.826 3.952 5.791 0.511 3 1 "[ + . 1 . 2]" 1
370 1 32 THR H 1 95 LYS QB . . 3.500 3.167 2.701 4.271 0.771 1 1 "[+ . 1 . 2]" 1
371 1 95 LYS HG3 1 96 ALA H 4.490 . 4.490 3.114 2.516 3.816 . 0 0 "[ . 1 . 2]" 1
372 1 32 THR HB 1 95 LYS QE 5.500 . 5.500 4.128 2.966 5.771 0.271 5 0 "[ . 1 . 2]" 1
373 1 30 VAL HA 1 96 ALA MB 3.630 . 3.630 2.464 2.121 2.996 . 0 0 "[ . 1 . 2]" 1
374 1 29 LYS H 1 96 ALA MB 4.380 . 4.380 3.529 2.991 3.877 . 0 0 "[ . 1 . 2]" 1
375 1 96 ALA MB 1 97 LEU H 3.220 . 3.220 2.778 2.518 3.055 . 0 0 "[ . 1 . 2]" 1
376 1 94 GLU QG 1 96 ALA MB 3.280 . 3.280 3.278 2.754 3.689 0.409 14 0 "[ . 1 . 2]" 1
377 1 30 VAL HB 1 96 ALA MB 3.700 . 3.700 3.806 2.847 4.968 1.268 17 5 "[ . - * . + **]" 1
378 1 28 LYS QB 1 96 ALA MB 4.370 . 4.370 3.476 2.540 4.495 0.125 3 0 "[ . 1 . 2]" 1
379 1 29 LYS H 1 97 LEU HB2 4.720 . 4.720 4.696 4.123 5.310 0.590 7 2 "[ - . + 1 . 2]" 1
380 1 97 LEU H 1 97 LEU HG 5.180 . 5.180 4.549 4.466 4.577 . 0 0 "[ . 1 . 2]" 1
381 1 97 LEU HG 1 99 THR H 5.500 . 5.500 5.584 4.633 6.028 0.528 20 1 "[ . 1 . +]" 1
382 1 97 LEU QD 1 98 PHE H . . 3.410 3.329 3.019 3.490 0.080 15 0 "[ . 1 . 2]" 1
383 1 97 LEU QD 1 123 PHE H . . 4.090 4.405 3.963 4.877 0.787 18 6 "[* ** -* . + 2]" 1
384 1 98 PHE HA 1 98 PHE QD 4.200 . 4.200 2.918 2.188 3.125 . 0 0 "[ . 1 . 2]" 1
385 1 99 THR HB 1 122 VAL MG1 5.230 . 5.230 4.898 4.366 5.653 0.423 17 0 "[ . 1 . 2]" 1
386 1 99 THR HB 1 122 VAL MG2 5.230 . 5.230 4.221 3.810 5.044 . 0 0 "[ . 1 . 2]" 1
387 1 99 THR MG 1 121 LEU H 4.850 . 4.850 4.089 3.783 4.532 . 0 0 "[ . 1 . 2]" 1
388 1 27 GLU H 1 99 THR MG 4.670 . 4.670 3.575 2.939 4.860 0.190 6 0 "[ . 1 . 2]" 1
389 1 27 GLU QB 1 99 THR MG 3.670 . 3.670 3.585 2.989 4.054 0.384 18 0 "[ . 1 . 2]" 1
390 1 100 ILE HB 1 121 LEU HB2 4.800 . 4.800 4.457 2.949 5.021 0.221 3 0 "[ . 1 . 2]" 1
391 1 100 ILE HB 1 121 LEU HB3 4.800 . 4.800 3.410 2.934 4.812 0.012 17 0 "[ . 1 . 2]" 1
392 1 100 ILE HB 1 120 THR MG 4.950 . 4.950 4.454 4.204 4.950 0.000 19 0 "[ . 1 . 2]" 1
393 1 83 TRP H 1 100 ILE MD 4.450 . 4.450 3.543 3.127 4.039 . 0 0 "[ . 1 . 2]" 1
394 1 98 PHE QD 1 100 ILE MD 3.160 . 3.160 1.921 1.590 2.267 0.210 15 0 "[ . 1 . 2]" 1
395 1 83 TRP HD1 1 100 ILE MD 3.380 . 3.380 2.517 2.107 3.230 . 0 0 "[ . 1 . 2]" 1
396 1 82 GLY QA 1 100 ILE MD . . 3.970 2.298 1.923 2.686 . 0 0 "[ . 1 . 2]" 1
397 1 100 ILE HB 1 100 ILE MD 3.320 . 3.320 3.243 3.238 3.247 . 0 0 "[ . 1 . 2]" 1
398 1 100 ILE MD 1 100 ILE MG 2.530 . 2.530 1.985 1.917 2.029 . 0 0 "[ . 1 . 2]" 1
399 1 98 PHE QD 1 100 ILE MG 4.700 . 4.700 4.420 4.153 4.676 . 0 0 "[ . 1 . 2]" 1
400 1 100 ILE MG 1 104 LEU HA 4.800 . 4.800 4.669 4.113 5.335 0.535 4 1 "[ +. 1 . 2]" 1
401 1 100 ILE MG 1 104 LEU QB 2.880 . 2.880 2.564 1.947 3.168 0.288 20 0 "[ . 1 . 2]" 1
402 1 100 ILE MG 1 104 LEU QD 3.450 . 3.450 3.534 3.077 4.102 0.652 20 2 "[ . - 1 . +]" 1
403 1 102 TYR HA 1 107 GLY H 4.410 . 4.410 3.684 3.359 4.489 0.079 14 0 "[ . 1 . 2]" 1
404 1 102 TYR HA 1 104 LEU H 4.680 . 4.680 3.897 3.544 4.097 . 0 0 "[ . 1 . 2]" 1
405 1 102 TYR HA 1 105 ALA H 4.860 . 4.860 3.785 3.456 4.168 . 0 0 "[ . 1 . 2]" 1
406 1 102 TYR HA 1 105 ALA MB 3.390 . 3.390 3.035 2.057 3.650 0.260 13 0 "[ . 1 . 2]" 1
407 1 102 TYR H 1 102 TYR HB3 4.120 . 4.120 2.483 2.370 2.579 . 0 0 "[ . 1 . 2]" 1
408 1 102 TYR HB3 1 119 ALA H 5.020 . 5.020 3.506 2.936 4.071 . 0 0 "[ . 1 . 2]" 1
409 1 102 TYR HB3 1 102 TYR QE 5.100 . 5.100 4.444 4.417 4.486 . 0 0 "[ . 1 . 2]" 1
410 1 102 TYR HB3 1 105 ALA MB 5.370 . 5.370 5.169 4.241 5.724 0.354 13 0 "[ . 1 . 2]" 1
411 1 102 TYR H 1 102 TYR HB2 4.120 . 4.120 3.587 3.569 3.603 . 0 0 "[ . 1 . 2]" 1
412 1 102 TYR HB2 1 119 ALA H 5.030 . 5.030 3.532 3.149 4.142 . 0 0 "[ . 1 . 2]" 1
413 1 102 TYR HB2 1 102 TYR QE 4.640 . 4.640 4.416 4.396 4.431 . 0 0 "[ . 1 . 2]" 1
414 1 102 TYR HB2 1 105 ALA MB 5.120 . 5.120 4.917 3.961 5.382 0.262 11 0 "[ . 1 . 2]" 1
415 1 103 GLN HA 1 103 GLN HG2 4.060 . 4.060 3.403 2.508 3.825 . 0 0 "[ . 1 . 2]" 1
416 1 103 GLN HA 1 103 GLN HG3 4.060 . 4.060 3.550 2.958 3.826 . 0 0 "[ . 1 . 2]" 1
417 1 103 GLN HA 1 104 LEU HG 5.190 . 5.190 5.147 4.798 5.367 0.177 13 0 "[ . 1 . 2]" 1
418 1 103 GLN HB3 1 104 LEU H 4.480 . 4.480 4.125 3.797 4.324 . 0 0 "[ . 1 . 2]" 1
419 1 81 LYS QB 1 104 LEU HA 3.790 . 3.790 4.531 3.268 5.852 2.062 1 11 "[+ *** *1* *-.* **]" 1
420 1 104 LEU HA 1 104 LEU QD 3.310 . 3.310 2.003 1.926 2.053 . 0 0 "[ . 1 . 2]" 1
421 1 82 GLY H 1 104 LEU HG 5.160 . 5.160 5.940 5.411 6.913 1.753 19 15 "[* **-* *** **.***+*]" 1
422 1 104 LEU HA 1 104 LEU HG 4.110 . 4.110 3.163 3.092 3.221 . 0 0 "[ . 1 . 2]" 1
423 1 82 GLY H 1 104 LEU QD 4.390 . 4.390 3.598 3.134 4.416 0.026 19 0 "[ . 1 . 2]" 1
424 1 104 LEU H 1 104 LEU QD 3.980 . 3.980 3.350 3.221 3.548 . 0 0 "[ . 1 . 2]" 1
425 1 85 GLN QE 1 104 LEU QD . . 3.860 3.554 1.915 6.254 2.394 16 5 "[* -. * 1 *.+ 2]" 1
426 1 80 ILE HA 1 104 LEU QD 5.500 . 5.500 6.052 5.556 6.980 1.480 19 9 "[ **.* -1 * . **+*]" 1
427 1 81 LYS QE 1 104 LEU QD 5.500 . 5.500 5.616 4.041 7.273 1.773 19 6 "[ **. -1 .** +2]" 1
428 1 81 LYS QD 1 104 LEU QD 3.890 . 3.890 4.478 2.855 6.183 2.293 19 10 "[ **.* **1 - .***+2]" 1
429 1 81 LYS H 1 105 ALA HA 5.500 . 5.500 5.919 4.544 7.973 2.473 9 8 "[* *** +1* -.* 2]" 1
430 1 104 LEU HA 1 105 ALA HA 4.710 . 4.710 4.446 4.395 4.579 . 0 0 "[ . 1 . 2]" 1
431 1 80 ILE HA 1 105 ALA HA 5.500 . 5.500 5.658 4.354 7.801 2.301 9 7 "[*-* * +1 *.* 2]" 1
432 1 80 ILE HB 1 105 ALA HA 3.450 . 3.450 3.532 2.436 6.157 2.707 9 4 "[* - +1 .* 2]" 1
433 1 100 ILE MG 1 105 ALA HA 4.120 . 4.120 3.815 3.215 4.433 0.313 7 0 "[ . 1 . 2]" 1
434 1 80 ILE MD 1 105 ALA HA 3.410 . 3.410 2.355 1.697 3.173 0.103 8 0 "[ . 1 . 2]" 1
435 1 80 ILE MG 1 105 ALA HA 3.530 . 3.530 2.877 2.173 4.999 1.469 9 1 "[ . +1 . 2]" 1
436 1 105 ALA MB 1 106 TYR H 3.030 . 3.030 2.053 1.897 2.246 . 0 0 "[ . 1 . 2]" 1
437 1 80 ILE MD 1 105 ALA MB 3.030 . 3.030 2.300 1.806 3.536 0.506 9 1 "[ . +1 . 2]" 1
438 1 80 ILE MG 1 105 ALA MB 3.560 . 3.560 3.714 2.764 5.817 2.257 9 4 "[ - * +1 .* 2]" 1
439 1 80 ILE MG 1 106 TYR HA 5.500 . 5.500 5.075 3.879 6.967 1.467 9 1 "[ . +1 . 2]" 1
440 1 106 TYR QB 1 111 TYR QD 4.870 . 4.870 2.956 2.096 5.075 0.205 4 0 "[ . 1 . 2]" 1
441 1 105 ALA MB 1 106 TYR QB 4.790 . 4.790 4.123 3.913 4.296 . 0 0 "[ . 1 . 2]" 1
442 1 106 TYR QB 1 115 ILE MG 4.460 . 4.460 5.226 4.413 7.462 3.002 4 12 "[**-+*** ** * * *]" 1
443 1 102 TYR QE 1 108 GLU HB2 4.450 . 4.450 4.491 3.382 5.065 0.615 3 1 "[ + . 1 . 2]" 1
444 1 108 GLU HB2 1 118 LYS QG 5.050 . 5.050 4.793 3.682 5.879 0.829 13 4 "[ * .* 1 +-. 2]" 1
445 1 108 GLU HA 1 118 LYS H 3.830 . 3.830 2.508 2.196 3.002 . 0 0 "[ . 1 . 2]" 1
446 1 102 TYR QE 1 108 GLU HA 4.220 . 4.220 4.458 3.767 5.307 1.087 15 7 "[* . *** + - *2]" 1
447 1 102 TYR HB2 1 108 GLU HA 4.240 . 4.240 2.196 1.789 2.678 0.011 3 0 "[ . 1 . 2]" 1
448 1 108 GLU HA 1 118 LYS HA 3.970 . 3.970 2.124 1.514 2.777 0.286 15 0 "[ . 1 . 2]" 1
449 1 108 GLU HA 1 118 LYS QG . . 3.730 3.240 2.334 4.143 0.413 13 0 "[ . 1 . 2]" 1
450 1 108 GLU QG 1 118 LYS QG . . 3.940 3.218 1.920 5.327 1.387 7 1 "[ . + 1 . 2]" 1
451 1 102 TYR QE 1 108 GLU QG 3.900 . 3.900 3.274 2.421 5.257 1.357 11 2 "[ . - 1+ . 2]" 1
452 1 109 ARG HA 1 109 ARG HG2 3.960 . 3.960 3.310 2.451 3.885 . 0 0 "[ . 1 . 2]" 1
453 1 109 ARG HA 1 109 ARG HD2 5.500 . 5.500 3.941 1.894 4.962 . 0 0 "[ . 1 . 2]" 1
454 1 109 ARG HA 1 109 ARG HD3 5.500 . 5.500 4.029 2.081 5.522 0.022 19 0 "[ . 1 . 2]" 1
455 1 109 ARG HA 1 109 ARG HG3 3.960 . 3.960 3.076 2.301 3.898 . 0 0 "[ . 1 . 2]" 1
456 1 110 GLY QA 1 115 ILE HB . . 4.390 3.546 2.719 4.721 0.331 4 0 "[ . 1 . 2]" 1
457 1 106 TYR QB 1 110 GLY QA 4.550 . 4.550 4.478 3.719 5.119 0.569 4 1 "[ +. 1 . 2]" 1
458 1 106 TYR QD 1 111 TYR QB 5.140 . 5.140 4.071 2.824 6.098 0.958 4 1 "[ +. 1 . 2]" 1
459 1 111 TYR QB 1 115 ILE MD 5.500 . 5.500 6.633 6.104 7.446 1.946 4 20 [-**+****************] 1
460 1 114 VAL HA 1 114 VAL MG1 3.110 . 3.110 2.377 2.343 2.441 . 0 0 "[ . 1 . 2]" 1
461 1 114 VAL HA 1 114 VAL MG2 3.110 . 3.110 2.718 2.380 3.230 0.120 13 0 "[ . 1 . 2]" 1
462 1 114 VAL H 1 114 VAL HB 3.500 . 3.500 2.950 2.496 3.662 0.162 7 0 "[ . 1 . 2]" 1
463 1 114 VAL HB 1 115 ILE H 3.770 . 3.770 3.262 2.697 4.119 0.349 7 0 "[ . 1 . 2]" 1
464 1 114 VAL HB 1 115 ILE MD 4.300 . 4.300 3.721 3.508 3.982 . 0 0 "[ . 1 . 2]" 1
465 1 111 TYR QB 1 115 ILE HB 4.250 . 4.250 4.907 4.366 5.546 1.296 4 16 "[ **+* ***- ********]" 1
466 1 106 TYR QE 1 115 ILE MD 3.570 . 3.570 4.177 2.951 7.855 4.285 4 10 "[ * +*** ** * . * -]" 1
467 1 111 TYR H 1 115 ILE MD 4.800 . 4.800 6.284 5.420 7.552 2.752 15 20 [**************+***-*] 1
468 1 117 PRO HA 1 118 LYS H 3.310 . 3.310 2.201 2.121 2.295 . 0 0 "[ . 1 . 2]" 1
469 1 117 PRO HA 1 118 LYS QG 4.790 . 4.790 4.184 3.921 4.787 . 0 0 "[ . 1 . 2]" 1
470 1 117 PRO HB2 1 118 LYS H 4.400 . 4.400 3.509 3.009 3.967 . 0 0 "[ . 1 . 2]" 1
471 1 117 PRO HB3 1 118 LYS H 4.400 . 4.400 3.496 3.139 4.007 . 0 0 "[ . 1 . 2]" 1
472 1 118 LYS HA 1 118 LYS QG 4.020 . 4.020 2.417 2.317 2.592 . 0 0 "[ . 1 . 2]" 1
473 1 102 TYR QE 1 118 LYS QG 5.060 . 5.060 3.425 2.497 4.593 . 0 0 "[ . 1 . 2]" 1
474 1 102 TYR HB2 1 118 LYS QG 5.410 . 5.410 4.242 3.671 4.726 . 0 0 "[ . 1 . 2]" 1
475 1 119 ALA HA 1 120 THR HB 4.700 . 4.700 4.599 4.489 4.682 . 0 0 "[ . 1 . 2]" 1
476 1 119 ALA MB 1 120 THR HB 4.770 . 4.770 4.972 4.559 5.296 0.526 6 1 "[ .+ 1 . 2]" 1
477 1 102 TYR HB2 1 119 ALA MB 5.120 . 5.120 4.808 4.336 5.394 0.274 11 0 "[ . 1 . 2]" 1
478 1 115 ILE MD 1 119 ALA MB 4.070 . 4.070 3.706 2.832 5.026 0.956 9 1 "[ . +1 . 2]" 1
479 1 55 PRO QG 1 120 THR HB 3.930 . 3.930 3.724 2.894 4.562 0.632 13 3 "[ . * 1 + - 2]" 1
480 1 100 ILE H 1 120 THR MG 4.260 . 4.260 3.719 3.456 4.024 . 0 0 "[ . 1 . 2]" 1
481 1 121 LEU HG 1 123 PHE QD 4.240 . 4.240 5.087 4.506 5.464 1.224 17 19 "[******* ********+*-*]" 1
482 1 121 LEU H 1 121 LEU HG 5.300 . 5.300 4.901 4.463 5.052 . 0 0 "[ . 1 . 2]" 1
483 1 115 ILE MD 1 121 LEU HG 3.810 . 3.810 3.390 2.433 4.895 1.085 4 3 "[ +- * 1 . 2]" 1
484 1 121 LEU H 1 121 LEU MD1 5.210 . 5.210 4.320 3.732 4.407 . 0 0 "[ . 1 . 2]" 1
485 1 121 LEU H 1 121 LEU MD2 5.210 . 5.210 3.987 2.516 4.238 . 0 0 "[ . 1 . 2]" 1
486 1 99 THR MG 1 122 VAL HA 4.440 . 4.440 3.382 2.967 3.871 . 0 0 "[ . 1 . 2]" 1
487 1 122 VAL HA 1 122 VAL MG1 3.460 . 3.460 2.411 2.371 2.464 . 0 0 "[ . 1 . 2]" 1
488 1 122 VAL HA 1 122 VAL MG2 3.460 . 3.460 2.409 2.349 2.447 . 0 0 "[ . 1 . 2]" 1
489 1 122 VAL HA 1 123 PHE QB 5.340 . 5.340 4.306 4.175 4.365 . 0 0 "[ . 1 . 2]" 1
490 1 122 VAL HA 1 123 PHE QD 5.200 . 5.200 3.803 3.529 4.225 . 0 0 "[ . 1 . 2]" 1
491 1 100 ILE H 1 122 VAL MG1 4.880 . 4.880 4.206 3.889 4.762 . 0 0 "[ . 1 . 2]" 1
492 1 100 ILE H 1 122 VAL MG2 4.880 . 4.880 3.788 3.326 4.459 . 0 0 "[ . 1 . 2]" 1
493 1 98 PHE H 1 123 PHE HA 5.090 . 5.090 4.950 4.812 5.051 . 0 0 "[ . 1 . 2]" 1
494 1 123 PHE QB 1 124 GLU HA 4.540 . 4.540 4.397 4.300 4.466 . 0 0 "[ . 1 . 2]" 1
495 1 123 PHE QB 1 124 GLU H . . 3.690 3.340 3.169 3.480 . 0 0 "[ . 1 . 2]" 1
496 1 100 ILE MD 1 123 PHE QB 3.910 . 3.910 3.337 2.789 4.283 0.373 9 0 "[ . 1 . 2]" 1
497 1 123 PHE H 1 124 GLU HA 4.880 . 4.880 4.881 4.740 5.063 0.183 14 0 "[ . 1 . 2]" 1
498 1 123 PHE QD 1 124 GLU HA 5.320 . 5.320 6.025 5.883 6.127 0.807 9 20 [*-******+***********] 1
499 1 100 ILE MD 1 124 GLU HA 5.500 . 5.500 6.862 6.270 7.936 2.436 9 20 [********+-**********] 1
500 1 123 PHE HA 1 124 GLU QB 4.550 . 4.550 4.316 4.037 4.423 . 0 0 "[ . 1 . 2]" 1
501 1 124 GLU QB 1 125 VAL H . . 3.880 3.527 3.357 3.922 0.042 9 0 "[ . 1 . 2]" 1
502 1 97 LEU HG 1 124 GLU QG 4.480 . 4.480 3.174 2.456 4.811 0.331 9 0 "[ . 1 . 2]" 1
503 1 123 PHE HA 1 124 GLU QG 5.240 . 5.240 4.376 3.709 5.827 0.587 9 3 "[ . *+1 . -2]" 1
504 1 124 GLU H 1 124 GLU QG 4.450 . 4.450 2.786 2.232 4.017 . 0 0 "[ . 1 . 2]" 1
505 1 123 PHE H 1 124 GLU QG 5.500 . 5.500 5.359 4.789 6.700 1.200 9 3 "[ . -+1 . *2]" 1
506 1 124 GLU QG 1 125 VAL H . . 4.690 4.029 3.202 4.330 . 0 0 "[ . 1 . 2]" 1
507 1 125 VAL QG 1 126 GLU H 4.190 . 4.190 3.391 3.280 3.511 . 0 0 "[ . 1 . 2]" 1
508 1 50 TYR HA 1 125 VAL QG 3.920 . 3.920 3.516 2.575 4.117 0.197 11 0 "[ . 1 . 2]" 1
509 1 123 PHE QB 1 125 VAL QG 3.640 . 3.640 2.703 2.190 3.172 . 0 0 "[ . 1 . 2]" 1
510 1 98 PHE H 1 125 VAL QG 4.300 . 4.300 3.192 2.757 3.530 . 0 0 "[ . 1 . 2]" 1
511 1 98 PHE QD 1 125 VAL QG 5.500 . 5.500 3.429 2.831 3.967 . 0 0 "[ . 1 . 2]" 1
512 1 126 GLU HA 1 126 GLU QG 3.910 . 3.910 2.493 2.401 2.583 . 0 0 "[ . 1 . 2]" 1
513 1 95 LYS QB 1 126 GLU HA 3.580 . 3.580 3.317 2.519 3.973 0.393 9 0 "[ . 1 . 2]" 1
514 1 49 HIS QB 1 126 GLU HB3 5.000 . 5.000 1.908 1.586 2.414 0.214 13 0 "[ . 1 . 2]" 1
515 1 126 GLU H 1 126 GLU QG 4.760 . 4.760 4.110 4.035 4.189 . 0 0 "[ . 1 . 2]" 1
516 1 126 GLU QG 1 127 LEU H . . 4.040 2.972 2.639 3.395 . 0 0 "[ . 1 . 2]" 1
517 1 95 LYS QB 1 126 GLU QG 3.450 . 3.450 2.216 1.902 2.557 . 0 0 "[ . 1 . 2]" 1
518 1 92 LEU HA 1 127 LEU HG 3.400 . 3.400 3.328 2.446 3.947 0.547 4 1 "[ +. 1 . 2]" 1
519 1 127 LEU HG 1 129 ALA HA 5.500 . 5.500 5.777 5.434 6.120 0.620 14 4 "[ . * - +. * 2]" 1
520 1 92 LEU H 1 127 LEU HG 4.400 . 4.400 4.542 3.977 5.328 0.928 7 6 "[* -.*+ 1 * *]" 1
521 1 93 GLY H 1 127 LEU HG 4.220 . 4.220 4.699 4.104 5.413 1.193 17 10 "[* **.* 1 *.*+-**]" 1
522 1 127 LEU HG 1 128 LEU H 5.500 . 5.500 5.097 4.942 5.216 . 0 0 "[ . 1 . 2]" 1
523 1 47 THR H 1 127 LEU QD 4.010 . 4.010 3.346 3.043 3.605 . 0 0 "[ . 1 . 2]" 1
524 1 48 VAL HA 1 127 LEU QD 4.780 . 4.780 2.981 2.760 3.371 . 0 0 "[ . 1 . 2]" 1
525 1 127 LEU QD 1 129 ALA HA 4.680 . 4.680 2.914 2.570 3.210 . 0 0 "[ . 1 . 2]" 1
526 1 46 VAL HB 1 127 LEU QD 3.320 . 3.320 2.402 1.871 2.810 . 0 0 "[ . 1 . 2]" 1
527 1 127 LEU QD 1 129 ALA MB 3.800 . 3.800 3.701 3.560 3.895 0.095 10 0 "[ . 1 . 2]" 1
528 1 128 LEU HA 1 128 LEU MD1 3.470 . 3.470 2.004 1.910 2.985 . 0 0 "[ . 1 . 2]" 1
529 1 128 LEU HA 1 128 LEU MD2 3.470 . 3.470 2.751 1.971 3.006 . 0 0 "[ . 1 . 2]" 1
530 1 128 LEU HB3 1 129 ALA H 4.390 . 4.390 3.397 2.411 3.643 . 0 0 "[ . 1 . 2]" 1
531 1 128 LEU H 1 128 LEU HG 4.590 . 4.590 4.114 3.998 4.616 0.026 9 0 "[ . 1 . 2]" 1
532 1 49 HIS HD1 1 128 LEU HG 4.200 . 4.200 5.311 3.484 6.533 2.333 20 16 "[ ***.*-*** * ******+]" 1
533 1 49 HIS QB 1 128 LEU HG 4.400 . 4.400 3.686 3.334 4.839 0.439 5 0 "[ . 1 . 2]" 1
534 1 128 LEU MD1 1 129 ALA H 5.500 . 5.500 4.594 3.360 4.706 . 0 0 "[ . 1 . 2]" 1
535 1 128 LEU MD2 1 129 ALA H 5.500 . 5.500 3.918 3.748 4.486 . 0 0 "[ . 1 . 2]" 1
536 1 47 THR H 1 129 ALA MB 3.440 . 3.440 3.526 2.623 4.264 0.824 3 4 "[ + . -1* * . 2]" 1
537 1 129 ALA MB 1 130 VAL H 2.960 . 2.960 2.399 1.974 2.933 . 0 0 "[ . 1 . 2]" 1
538 1 47 THR HB 1 129 ALA MB 2.940 . 2.940 2.210 1.828 2.741 . 0 0 "[ . 1 . 2]" 1
539 1 47 THR H 1 130 VAL HA 4.520 . 4.520 2.958 2.212 3.950 . 0 0 "[ . 1 . 2]" 1
540 1 47 THR H 1 130 VAL QG 5.500 . 5.500 4.236 3.684 5.039 . 0 0 "[ . 1 . 2]" 1
541 1 38 THR HB 1 130 VAL QG . . 3.980 3.686 2.139 6.891 2.911 15 6 "[* * . * 1- +* 2]" 1
542 1 50 TYR QD 1 79 VAL QG 4.600 . 4.600 4.720 3.919 6.149 1.549 9 2 "[ -. +1 . 2]" 1
543 1 72 PHE HB2 1 79 VAL QG 3.940 . 3.940 3.431 2.644 4.277 0.337 4 0 "[ . 1 . 2]" 1
544 1 72 PHE HB3 1 79 VAL QG 3.940 . 3.940 3.466 2.817 4.369 0.429 4 0 "[ . 1 . 2]" 1
545 1 78 GLU HB2 1 79 VAL QG 3.950 . 3.950 2.750 2.543 3.010 . 0 0 "[ . 1 . 2]" 1
546 1 78 GLU HB3 1 79 VAL QG 4.400 . 4.400 3.073 2.763 3.360 . 0 0 "[ . 1 . 2]" 1
547 1 115 ILE H 1 115 ILE MG 4.250 . 4.250 3.846 3.795 3.888 . 0 0 "[ . 1 . 2]" 1
548 1 110 GLY H 1 115 ILE MG 3.650 . 3.650 4.376 3.678 5.842 2.192 4 15 "[ **+*** **** ** **-]" 1
549 1 111 TYR QD 1 115 ILE MG 5.070 . 5.070 5.265 4.576 6.139 1.069 4 4 "[ +. *1 - * 2]" 1
550 1 106 TYR QE 1 115 ILE MG 4.440 . 4.440 2.833 1.972 5.996 1.556 4 1 "[ +. 1 . 2]" 1
551 1 110 GLY QA 1 115 ILE MG 4.330 . 4.330 2.712 1.848 3.909 . 0 0 "[ . 1 . 2]" 1
552 1 111 TYR QB 1 115 ILE MG 5.500 . 5.500 5.149 4.726 5.911 0.411 4 0 "[ . 1 . 2]" 1
553 1 115 ILE MG 1 119 ALA MB 3.320 . 3.320 2.421 1.939 3.452 0.132 9 0 "[ . 1 . 2]" 1
554 1 115 ILE MD 1 115 ILE MG 2.980 . 2.980 2.013 1.943 2.058 . 0 0 "[ . 1 . 2]" 1
555 1 96 ALA H 1 126 GLU HA 4.120 . 4.120 3.459 3.072 3.791 . 0 0 "[ . 1 . 2]" 1
556 1 52 GLY HA3 1 123 PHE QD 4.540 . 4.540 3.837 3.029 4.509 . 0 0 "[ . 1 . 2]" 1
557 1 106 TYR QE 1 111 TYR QB 4.260 . 4.260 4.788 3.235 6.670 2.410 4 10 "[ +. * 1 **-** ***]" 1
558 1 106 TYR QE 1 121 LEU HG 3.770 . 3.770 4.674 3.116 6.218 2.448 4 14 "[-**+.** * **** ** *]" 1
559 1 105 ALA MB 1 106 TYR QE 4.330 . 4.330 3.731 3.371 3.976 . 0 0 "[ . 1 . 2]" 1
560 1 80 ILE MD 1 106 TYR QE 5.000 . 5.000 4.082 2.994 7.079 2.079 9 1 "[ . +1 . 2]" 1
561 1 50 TYR HB2 1 50 TYR QD 3.490 . 3.490 2.357 2.292 2.468 . 0 0 "[ . 1 . 2]" 1
562 1 50 TYR H 1 50 TYR QD 4.170 . 4.170 3.065 2.394 3.551 . 0 0 "[ . 1 . 2]" 1
563 1 50 TYR QE 1 70 PHE QB . . 3.400 3.153 1.885 4.381 0.981 2 2 "[ + - 1 . 2]" 1
564 1 48 VAL QG 1 50 TYR QE 4.250 . 4.250 2.796 2.063 4.288 0.038 10 0 "[ . 1 . 2]" 1
565 1 102 TYR QE 1 118 LYS HA 4.060 . 4.060 4.244 3.752 5.040 0.980 15 6 "[ . -** + * *2]" 1
566 1 83 TRP H 1 83 TRP HD1 4.190 . 4.190 3.351 2.918 4.234 0.044 9 0 "[ . 1 . 2]" 1
567 1 83 TRP HD1 1 98 PHE QD 5.500 . 5.500 4.813 3.658 5.797 0.297 17 0 "[ . 1 . 2]" 1
568 1 83 TRP HD1 1 123 PHE QD 5.500 . 5.500 4.219 3.857 5.068 . 0 0 "[ . 1 . 2]" 1
569 1 83 TRP HD1 1 123 PHE QB 4.500 . 4.500 3.364 2.892 3.940 . 0 0 "[ . 1 . 2]" 1
570 1 80 ILE QG 1 83 TRP HD1 3.830 . 3.830 4.066 3.529 5.923 2.093 9 4 "[- *. +1 .* 2]" 1
571 1 83 TRP HD1 1 100 ILE MG 4.020 . 4.020 4.051 3.172 5.185 1.165 4 4 "[*- +. 1 * . 2]" 1
572 1 80 ILE MD 1 83 TRP HD1 3.610 . 3.610 3.847 3.236 6.572 2.962 9 5 "[ * *. +1 -* 2]" 1
573 1 83 TRP HZ2 1 123 PHE QD 4.030 . 4.030 3.921 3.460 4.914 0.884 9 1 "[ . +1 . 2]" 1
574 1 83 TRP HZ2 1 123 PHE QB 5.090 . 5.090 4.858 4.120 5.998 0.908 9 2 "[ . +1 .- 2]" 1
575 1 79 VAL QG 1 83 TRP HZ3 4.200 . 4.200 3.327 2.921 4.173 . 0 0 "[ . 1 . 2]" 1
576 1 83 TRP HB2 1 83 TRP HE3 3.920 . 3.920 2.640 2.414 2.963 . 0 0 "[ . 1 . 2]" 1
577 1 83 TRP HB3 1 83 TRP HE3 4.170 . 4.170 3.304 2.911 3.865 . 0 0 "[ . 1 . 2]" 1
578 1 79 VAL HB 1 83 TRP HE3 4.010 . 4.010 1.925 1.474 2.729 0.326 1 0 "[ . 1 . 2]" 1
579 1 80 ILE MD 1 83 TRP HE3 4.870 . 4.870 4.193 3.962 4.396 . 0 0 "[ . 1 . 2]" 1
580 1 80 ILE MG 1 83 TRP HE3 4.520 . 4.520 4.432 3.498 5.241 0.721 6 1 "[ .+ 1 . 2]" 1
581 1 72 PHE H 1 72 PHE QD 4.090 . 4.090 2.909 2.669 3.529 . 0 0 "[ . 1 . 2]" 1
582 1 49 HIS HE1 1 69 PRO HA 3.990 . 3.990 6.052 3.658 7.374 3.384 14 17 "[****.****-** +* ****]" 1
583 1 49 HIS HE1 1 64 ARG HA 3.810 . 3.810 2.793 1.761 5.377 1.567 13 1 "[ . 1 + . 2]" 1
584 1 49 HIS HE1 1 69 PRO QB 4.180 . 4.180 6.648 3.283 7.949 3.769 19 18 "[-***.******* *****+*]" 1
585 1 11 THR H 1 11 THR MG 4.120 . 4.120 2.911 1.999 4.046 . 0 0 "[ . 1 . 2]" 1
586 1 11 THR HA 1 12 LEU H 3.180 . 3.180 2.511 2.149 3.556 0.376 17 0 "[ . 1 . 2]" 1
587 1 11 THR MG 1 12 LEU H 4.210 . 4.210 3.524 2.524 4.417 0.207 11 0 "[ . 1 . 2]" 1
588 1 13 GLU H 1 13 GLU HG2 4.090 . 4.090 3.340 2.104 3.970 . 0 0 "[ . 1 . 2]" 1
589 1 13 GLU H 1 13 GLU HG3 4.090 . 4.090 2.867 2.124 4.132 0.042 1 0 "[ . 1 . 2]" 1
590 1 12 LEU HB2 1 13 GLU H 4.660 . 4.660 3.839 2.055 4.572 . 0 0 "[ . 1 . 2]" 1
591 1 12 LEU HB3 1 13 GLU H 4.660 . 4.660 3.580 2.003 4.473 . 0 0 "[ . 1 . 2]" 1
592 1 13 GLU HA 1 14 ALA H 2.990 . 2.990 2.426 2.138 3.421 0.431 2 0 "[ . 1 . 2]" 1
593 1 13 GLU HG2 1 14 ALA H 5.500 . 5.500 4.674 3.932 5.359 . 0 0 "[ . 1 . 2]" 1
594 1 13 GLU HG3 1 14 ALA H 5.500 . 5.500 5.008 4.385 5.888 0.388 13 0 "[ . 1 . 2]" 1
595 1 14 ALA H 1 14 ALA MB 2.970 . 2.970 2.433 2.239 2.979 0.009 17 0 "[ . 1 . 2]" 1
596 1 15 GLN H 1 15 GLN HB3 4.130 . 4.130 3.108 2.455 4.108 . 0 0 "[ . 1 . 2]" 1
597 1 15 GLN H 1 15 GLN HB2 4.130 . 4.130 3.083 2.464 3.969 . 0 0 "[ . 1 . 2]" 1
598 1 14 ALA MB 1 15 GLN H 4.070 . 4.070 2.887 1.908 3.689 . 0 0 "[ . 1 . 2]" 1
599 1 34 GLY H 1 35 ASP H 4.520 . 4.520 4.324 3.955 4.526 0.006 18 0 "[ . 1 . 2]" 1
600 1 35 ASP H 1 36 GLY H 3.250 . 3.250 2.698 2.395 3.145 . 0 0 "[ . 1 . 2]" 1
601 1 34 GLY HA2 1 35 ASP H 3.200 . 3.200 2.769 2.509 3.089 . 0 0 "[ . 1 . 2]" 1
602 1 35 ASP H 1 93 GLY HA3 4.940 . 4.940 3.743 3.167 4.313 . 0 0 "[ . 1 . 2]" 1
603 1 34 GLY HA3 1 35 ASP H 3.090 . 3.090 2.363 2.171 2.562 . 0 0 "[ . 1 . 2]" 1
604 1 35 ASP H 1 35 ASP HB2 3.710 . 3.710 2.585 2.312 3.622 . 0 0 "[ . 1 . 2]" 1
605 1 35 ASP H 1 35 ASP HB3 3.710 . 3.710 3.267 2.355 3.633 . 0 0 "[ . 1 . 2]" 1
606 1 35 ASP H 1 38 THR MG 5.200 . 5.200 4.975 4.305 6.444 1.244 15 2 "[ . 1 - + 2]" 1
607 1 35 ASP H 1 91 THR MG 5.090 . 5.090 5.031 4.640 5.616 0.526 19 1 "[ . 1 . +2]" 1
608 1 35 ASP H 1 37 VAL MG2 5.460 . 5.460 5.180 4.826 5.998 0.538 19 3 "[ . 1 * - +2]" 1
609 1 15 GLN HA 1 16 THR H 3.410 . 3.410 2.548 2.138 3.471 0.061 6 0 "[ . 1 . 2]" 1
610 1 15 GLN HB3 1 16 THR H 5.120 . 5.120 3.779 2.306 4.494 . 0 0 "[ . 1 . 2]" 1
611 1 15 GLN HB2 1 16 THR H 5.120 . 5.120 3.799 2.233 4.639 . 0 0 "[ . 1 . 2]" 1
612 1 17 GLN H 1 17 GLN HG2 5.500 . 5.500 3.619 1.942 5.051 . 0 0 "[ . 1 . 2]" 1
613 1 17 GLN H 1 17 GLN HG3 5.500 . 5.500 3.600 2.190 4.957 . 0 0 "[ . 1 . 2]" 1
614 1 23 SER HB2 1 24 ALA H 4.580 . 4.580 3.159 1.744 4.276 0.056 9 0 "[ . 1 . 2]" 1
615 1 23 SER HB3 1 24 ALA H 4.580 . 4.580 3.236 1.845 4.496 . 0 0 "[ . 1 . 2]" 1
616 1 24 ALA H 1 24 ALA MB 3.220 . 3.220 2.346 2.231 2.963 . 0 0 "[ . 1 . 2]" 1
617 1 24 ALA HA 1 25 GLN H 2.580 . 2.580 2.218 2.137 2.506 . 0 0 "[ . 1 . 2]" 1
618 1 24 ALA MB 1 25 GLN H 3.150 . 3.150 3.444 2.858 3.718 0.568 14 2 "[ . 1 -+. 2]" 1
619 1 26 LEU H 1 26 LEU QB . . 2.880 2.636 2.377 2.742 . 0 0 "[ . 1 . 2]" 1
620 1 25 GLN HB2 1 26 LEU H 4.180 . 4.180 3.990 3.147 4.185 0.005 9 0 "[ . 1 . 2]" 1
621 1 26 LEU H 1 27 GLU QG 4.000 . 4.000 3.733 2.925 4.723 0.723 11 1 "[ . 1+ . 2]" 1
622 1 27 GLU H 1 99 THR H 3.570 . 3.570 3.169 2.580 3.758 0.188 6 0 "[ . 1 . 2]" 1
623 1 27 GLU H 1 28 LYS H 4.610 . 4.610 4.241 3.844 4.445 . 0 0 "[ . 1 . 2]" 1
624 1 27 GLU H 1 98 PHE HA 4.560 . 4.560 4.816 4.358 5.231 0.671 14 4 "[ * . 1 *+. - 2]" 1
625 1 27 GLU H 1 99 THR HB 3.800 . 3.800 2.198 1.676 3.507 0.124 15 0 "[ . 1 . 2]" 1
626 1 29 LYS H 1 98 PHE HA 4.560 . 4.560 3.654 3.161 4.080 . 0 0 "[ . 1 . 2]" 1
627 1 29 LYS H 1 97 LEU HB3 4.720 . 4.720 3.159 2.488 3.835 . 0 0 "[ . 1 . 2]" 1
628 1 30 VAL H 1 30 VAL HB 3.020 . 3.020 2.642 2.543 2.738 . 0 0 "[ . 1 . 2]" 1
629 1 30 VAL H 1 30 VAL MG1 3.900 . 3.900 2.418 1.884 3.800 . 0 0 "[ . 1 . 2]" 1
630 1 31 LEU H 1 96 ALA HA 3.590 . 3.590 2.053 1.800 2.335 0.000 15 0 "[ . 1 . 2]" 1
631 1 30 VAL HB 1 31 LEU H 4.460 . 4.460 4.311 4.125 4.457 . 0 0 "[ . 1 . 2]" 1
632 1 31 LEU H 1 95 LYS QB 4.940 . 4.940 4.232 3.860 4.750 . 0 0 "[ . 1 . 2]" 1
633 1 31 LEU H 1 96 ALA MB 4.120 . 4.120 3.407 2.994 3.874 . 0 0 "[ . 1 . 2]" 1
634 1 30 VAL MG1 1 31 LEU H 4.390 . 4.390 3.867 2.941 4.265 . 0 0 "[ . 1 . 2]" 1
635 1 31 LEU H 1 32 THR H 2.960 . 2.960 2.231 1.998 2.414 . 0 0 "[ . 1 . 2]" 1
636 1 32 THR H 1 96 ALA HA 3.980 . 3.980 3.816 3.632 4.022 0.042 9 0 "[ . 1 . 2]" 1
637 1 32 THR H 1 33 PRO HA 5.110 . 5.110 4.613 4.500 4.944 . 0 0 "[ . 1 . 2]" 1
638 1 32 THR H 1 94 GLU HA 5.500 . 5.500 4.827 4.530 5.179 . 0 0 "[ . 1 . 2]" 1
639 1 32 THR H 1 32 THR HB 3.490 . 3.490 2.886 2.678 3.052 . 0 0 "[ . 1 . 2]" 1
640 1 30 VAL HA 1 32 THR H 4.190 . 4.190 3.670 3.348 3.971 . 0 0 "[ . 1 . 2]" 1
641 1 32 THR H 1 94 GLU QG 5.500 . 5.500 3.969 3.740 4.322 . 0 0 "[ . 1 . 2]" 1
642 1 32 THR H 1 32 THR MG 4.150 . 4.150 3.958 3.874 4.033 . 0 0 "[ . 1 . 2]" 1
643 1 33 PRO HA 1 34 GLY H 3.100 . 3.100 2.178 2.142 2.240 . 0 0 "[ . 1 . 2]" 1
644 1 34 GLY H 1 94 GLU HB3 4.140 . 4.140 4.064 3.801 4.411 0.271 4 0 "[ . 1 . 2]" 1
645 1 33 PRO HB2 1 34 GLY H 3.920 . 3.920 3.560 3.081 4.020 0.100 17 0 "[ . 1 . 2]" 1
646 1 34 GLY H 1 91 THR MG 5.500 . 5.500 5.214 4.854 5.805 0.305 17 0 "[ . 1 . 2]" 1
647 1 36 GLY H 1 37 VAL H 3.520 . 3.520 3.016 2.740 3.154 . 0 0 "[ . 1 . 2]" 1
648 1 36 GLY H 1 91 THR MG 3.520 . 3.520 3.104 2.745 3.785 0.265 7 0 "[ . 1 . 2]" 1
649 1 36 GLY H 1 37 VAL MG2 4.610 . 4.610 4.302 4.085 4.638 0.028 12 0 "[ . 1 . 2]" 1
650 1 37 VAL H 1 91 THR HB 4.240 . 4.240 4.493 4.023 5.229 0.989 7 5 "[** .-+* 1 . 2]" 1
651 1 37 VAL H 1 37 VAL HB 3.760 . 3.760 3.685 3.631 3.783 0.023 12 0 "[ . 1 . 2]" 1
652 1 37 VAL H 1 91 THR MG 3.630 . 3.630 4.239 3.743 5.221 1.591 7 10 "[*** -*+* 1* * . *2]" 1
653 1 36 GLY H 1 38 THR H 4.400 . 4.400 3.452 3.205 3.781 . 0 0 "[ . 1 . 2]" 1
654 1 38 THR H 1 39 LYS H 4.820 . 4.820 4.341 4.015 4.626 . 0 0 "[ . 1 . 2]" 1
655 1 38 THR H 1 91 THR HA 5.480 . 5.480 5.613 4.909 7.209 1.729 7 2 "[ - . + 1 . 2]" 1
656 1 37 VAL HB 1 38 THR H 3.900 . 3.900 4.022 3.749 4.304 0.404 4 0 "[ . 1 . 2]" 1
657 1 38 THR H 1 38 THR MG 3.910 . 3.910 2.653 2.299 3.858 . 0 0 "[ . 1 . 2]" 1
658 1 38 THR H 1 91 THR MG 3.940 . 3.940 3.893 3.127 5.709 1.769 7 2 "[ - . + 1 . 2]" 1
659 1 38 THR HB 1 39 LYS H 4.320 . 4.320 3.622 2.929 4.300 . 0 0 "[ . 1 . 2]" 1
660 1 39 LYS H 1 39 LYS HB2 3.930 . 3.930 2.840 2.425 3.804 . 0 0 "[ . 1 . 2]" 1
661 1 39 LYS H 1 39 LYS HB3 3.930 . 3.930 3.414 2.430 3.800 . 0 0 "[ . 1 . 2]" 1
662 1 39 LYS H 1 91 THR MG 4.950 . 4.950 4.904 4.161 6.964 2.014 7 2 "[ . + 1- . 2]" 1
663 1 39 LYS H 1 130 VAL QG . . 4.830 5.050 3.843 7.449 2.619 15 7 "[* * . * -1* +* 2]" 1
664 1 41 GLN H 1 42 ALA HA 5.380 . 5.380 5.008 4.680 5.435 0.055 12 0 "[ . 1 . 2]" 1
665 1 41 GLN H 1 41 GLN HG2 3.670 . 3.670 2.837 2.052 4.206 0.536 8 1 "[ . + 1 . 2]" 1
666 1 41 GLN H 1 41 GLN HG3 3.670 . 3.670 3.051 2.518 3.551 . 0 0 "[ . 1 . 2]" 1
667 1 40 PRO HB2 1 41 GLN H 3.970 . 3.970 3.212 2.120 4.167 0.197 6 0 "[ . 1 . 2]" 1
668 1 41 GLN H 1 44 LYS QB 4.200 . 4.200 3.687 2.739 5.252 1.052 6 2 "[ -.+ 1 . 2]" 1
669 1 41 GLN H 1 41 GLN HB3 3.810 . 3.810 3.425 2.942 3.834 0.024 19 0 "[ . 1 . 2]" 1
670 1 41 GLN H 1 74 LEU QB 5.490 . 5.490 4.637 3.848 5.891 0.401 6 0 "[ . 1 . 2]" 1
671 1 41 GLN HA 1 42 ALA H 2.600 . 2.600 2.352 2.130 2.553 . 0 0 "[ . 1 . 2]" 1
672 1 42 ALA H 1 42 ALA MB 2.700 . 2.700 2.248 2.238 2.260 . 0 0 "[ . 1 . 2]" 1
673 1 42 ALA H 1 74 LEU QD 3.880 . 3.880 3.828 3.367 4.980 1.100 18 2 "[ . 1 . -+ 2]" 1
674 1 42 ALA H 1 74 LEU HG 4.570 . 4.570 4.675 4.154 5.260 0.690 18 4 "[ .- * . *+ 2]" 1
675 1 42 ALA H 1 43 GLY H 4.440 . 4.440 4.594 4.372 4.631 0.191 16 0 "[ . 1 . 2]" 1
676 1 43 GLY H 1 74 LEU H 4.620 . 4.620 4.263 3.680 4.790 0.170 15 0 "[ . 1 . 2]" 1
677 1 43 GLY H 1 44 LYS H 3.240 . 3.240 2.423 2.205 2.736 . 0 0 "[ . 1 . 2]" 1
678 1 42 ALA HA 1 43 GLY H 2.870 . 2.870 2.297 2.148 2.428 . 0 0 "[ . 1 . 2]" 1
679 1 43 GLY H 1 74 LEU QB 4.140 . 4.140 3.459 2.910 4.018 . 0 0 "[ . 1 . 2]" 1
680 1 43 GLY H 1 44 LYS QB 4.880 . 4.880 4.595 4.053 4.951 0.071 1 0 "[ . 1 . 2]" 1
681 1 43 GLY H 1 74 LEU HG 4.440 . 4.440 4.270 3.802 4.807 0.367 16 0 "[ . 1 . 2]" 1
682 1 43 GLY H 1 73 THR MG 3.680 . 3.680 3.165 2.643 3.656 . 0 0 "[ . 1 . 2]" 1
683 1 44 LYS H 1 45 LYS H 4.570 . 4.570 4.418 4.168 4.589 0.019 6 0 "[ . 1 . 2]" 1
684 1 42 ALA HA 1 44 LYS H 3.800 . 3.800 3.284 3.075 3.766 . 0 0 "[ . 1 . 2]" 1
685 1 44 LYS H 1 44 LYS QB 3.030 . 3.030 2.529 2.253 2.803 . 0 0 "[ . 1 . 2]" 1
686 1 44 LYS H 1 44 LYS QG 3.920 . 3.920 3.004 2.401 3.978 0.058 17 0 "[ . 1 . 2]" 1
687 1 44 LYS H 1 74 LEU QB 4.540 . 4.540 3.066 2.577 3.645 . 0 0 "[ . 1 . 2]" 1
688 1 44 LYS HA 1 45 LYS H 2.970 . 2.970 2.226 2.118 2.474 . 0 0 "[ . 1 . 2]" 1
689 1 45 LYS H 1 73 THR HA 4.780 . 4.780 4.193 3.627 4.596 . 0 0 "[ . 1 . 2]" 1
690 1 44 LYS QB 1 45 LYS H 3.220 . 3.220 2.932 2.162 3.483 0.263 17 0 "[ . 1 . 2]" 1
691 1 45 LYS H 1 45 LYS HB3 3.190 . 3.190 2.466 2.373 2.613 . 0 0 "[ . 1 . 2]" 1
692 1 45 LYS H 1 73 THR MG 4.720 . 4.720 3.910 3.191 4.466 . 0 0 "[ . 1 . 2]" 1
693 1 46 VAL H 1 72 PHE H 3.490 . 3.490 3.047 2.770 3.233 . 0 0 "[ . 1 . 2]" 1
694 1 46 VAL H 1 71 GLN HA 4.520 . 4.520 4.619 4.334 4.902 0.382 15 0 "[ . 1 . 2]" 1
695 1 46 VAL H 1 73 THR HA 3.630 . 3.630 3.153 2.810 3.429 . 0 0 "[ . 1 . 2]" 1
696 1 46 VAL H 1 72 PHE HA 4.540 . 4.540 4.650 4.458 4.854 0.314 4 0 "[ . 1 . 2]" 1
697 1 45 LYS HD3 1 46 VAL H 5.390 . 5.390 2.941 2.290 3.288 . 0 0 "[ . 1 . 2]" 1
698 1 45 LYS HG3 1 46 VAL H 4.670 . 4.670 3.423 2.540 3.845 . 0 0 "[ . 1 . 2]" 1
699 1 46 VAL H 1 48 VAL QG 5.320 . 5.320 4.507 4.195 4.932 . 0 0 "[ . 1 . 2]" 1
700 1 47 THR H 1 48 VAL H 4.830 . 4.830 4.257 4.118 4.416 . 0 0 "[ . 1 . 2]" 1
701 1 46 VAL H 1 47 THR H 4.710 . 4.710 4.476 4.300 4.526 . 0 0 "[ . 1 . 2]" 1
702 1 47 THR H 1 128 LEU H 4.830 . 4.830 4.805 4.521 4.986 0.156 3 0 "[ . 1 . 2]" 1
703 1 47 THR H 1 71 GLN HA 4.710 . 4.710 4.696 4.597 4.823 0.113 15 0 "[ . 1 . 2]" 1
704 1 46 VAL HA 1 47 THR H 3.030 . 3.030 2.220 2.162 2.337 . 0 0 "[ . 1 . 2]" 1
705 1 47 THR H 1 47 THR HB 3.480 . 3.480 2.586 2.513 2.649 . 0 0 "[ . 1 . 2]" 1
706 1 46 VAL HB 1 47 THR H 3.260 . 3.260 2.772 2.524 2.949 . 0 0 "[ . 1 . 2]" 1
707 1 47 THR H 1 48 VAL QG 4.010 . 4.010 3.711 3.467 3.890 . 0 0 "[ . 1 . 2]" 1
708 1 48 VAL H 1 72 PHE H 5.250 . 5.250 4.363 4.048 4.706 . 0 0 "[ . 1 . 2]" 1
709 1 47 THR HA 1 48 VAL H 3.000 . 3.000 2.139 2.111 2.198 . 0 0 "[ . 1 . 2]" 1
710 1 48 VAL HA 1 49 HIS H 3.200 . 3.200 2.504 2.426 2.548 . 0 0 "[ . 1 . 2]" 1
711 1 49 HIS H 1 49 HIS QB 3.680 . 3.680 2.698 2.563 2.791 . 0 0 "[ . 1 . 2]" 1
712 1 48 VAL HB 1 49 HIS H 3.310 . 3.310 2.107 2.000 2.219 . 0 0 "[ . 1 . 2]" 1
713 1 49 HIS H 1 126 GLU QG 4.670 . 4.670 4.293 4.080 4.505 . 0 0 "[ . 1 . 2]" 1
714 1 48 VAL QG 1 49 HIS H 3.950 . 3.950 2.873 2.789 2.987 . 0 0 "[ . 1 . 2]" 1
715 1 49 HIS HD2 1 50 TYR H 4.500 . 4.500 2.725 1.815 4.156 . 0 0 "[ . 1 . 2]" 1
716 1 49 HIS HA 1 50 TYR H 3.340 . 3.340 2.261 2.172 2.340 . 0 0 "[ . 1 . 2]" 1
717 1 51 ASP H 1 124 GLU H 3.640 . 3.640 2.941 2.764 3.065 . 0 0 "[ . 1 . 2]" 1
718 1 50 TYR H 1 51 ASP H 5.110 . 5.110 4.420 4.329 4.470 . 0 0 "[ . 1 . 2]" 1
719 1 51 ASP H 1 123 PHE QD 4.670 . 4.670 3.717 3.136 4.040 . 0 0 "[ . 1 . 2]" 1
720 1 49 HIS HD2 1 51 ASP H 5.500 . 5.500 5.953 4.310 7.714 2.214 13 7 "[ ***- 1 + . * *]" 1
721 1 50 TYR QD 1 51 ASP H 5.500 . 5.500 3.894 3.663 4.117 . 0 0 "[ . 1 . 2]" 1
722 1 50 TYR HA 1 51 ASP H 3.110 . 3.110 2.258 2.193 2.318 . 0 0 "[ . 1 . 2]" 1
723 1 51 ASP H 1 124 GLU HA 4.750 . 4.750 4.522 4.373 4.685 . 0 0 "[ . 1 . 2]" 1
724 1 50 TYR HB3 1 51 ASP H 3.660 . 3.660 3.158 2.606 4.010 0.350 9 0 "[ . 1 . 2]" 1
725 1 50 TYR HB2 1 51 ASP H 3.700 . 3.700 3.565 2.605 4.120 0.420 5 0 "[ . 1 . 2]" 1
726 1 51 ASP H 1 51 ASP HB2 3.910 . 3.910 2.939 2.586 3.264 . 0 0 "[ . 1 . 2]" 1
727 1 51 ASP H 1 51 ASP HB3 3.910 . 3.910 3.305 2.711 3.856 . 0 0 "[ . 1 . 2]" 1
728 1 51 ASP H 1 124 GLU QB 4.260 . 4.260 2.989 2.576 3.381 . 0 0 "[ . 1 . 2]" 1
729 1 51 ASP H 1 125 VAL QG 4.630 . 4.630 4.183 3.496 4.659 0.029 11 0 "[ . 1 . 2]" 1
730 1 51 ASP H 1 52 GLY H 4.690 . 4.690 4.274 4.058 4.452 . 0 0 "[ . 1 . 2]" 1
731 1 52 GLY H 1 63 SER H 5.180 . 5.180 3.977 3.225 4.862 . 0 0 "[ . 1 . 2]" 1
732 1 51 ASP HA 1 52 GLY H 3.200 . 3.200 2.237 2.133 2.453 . 0 0 "[ . 1 . 2]" 1
733 1 51 ASP HB2 1 52 GLY H 4.780 . 4.780 4.219 3.801 4.494 . 0 0 "[ . 1 . 2]" 1
734 1 51 ASP HB3 1 52 GLY H 4.780 . 4.780 3.587 2.554 4.366 . 0 0 "[ . 1 . 2]" 1
735 1 53 ARG H 1 122 VAL H 4.040 . 4.040 3.659 3.290 4.072 0.032 10 0 "[ . 1 . 2]" 1
736 1 52 GLY HA2 1 53 ARG H 3.310 . 3.310 2.190 2.140 2.268 . 0 0 "[ . 1 . 2]" 1
737 1 53 ARG H 1 122 VAL HB 4.230 . 4.230 3.696 2.952 4.041 . 0 0 "[ . 1 . 2]" 1
738 1 53 ARG H 1 122 VAL MG1 5.500 . 5.500 4.100 3.651 4.466 . 0 0 "[ . 1 . 2]" 1
739 1 53 ARG H 1 122 VAL MG2 5.500 . 5.500 4.982 4.420 5.175 . 0 0 "[ . 1 . 2]" 1
740 1 54 PHE H 1 58 LYS H 4.680 . 4.680 4.225 3.365 4.773 0.093 9 0 "[ . 1 . 2]" 1
741 1 54 PHE H 1 54 PHE QD 4.270 . 4.270 2.471 2.184 3.162 . 0 0 "[ . 1 . 2]" 1
742 1 53 ARG HA 1 54 PHE H 3.240 . 3.240 2.226 2.171 2.325 . 0 0 "[ . 1 . 2]" 1
743 1 54 PHE H 1 59 GLN HA 4.080 . 4.080 2.881 2.431 3.512 . 0 0 "[ . 1 . 2]" 1
744 1 54 PHE H 1 54 PHE HB2 3.750 . 3.750 2.447 2.369 2.554 . 0 0 "[ . 1 . 2]" 1
745 1 54 PHE H 1 54 PHE HB3 3.750 . 3.750 3.621 3.589 3.651 . 0 0 "[ . 1 . 2]" 1
746 1 53 ARG QB 1 54 PHE H 3.870 . 3.870 3.560 3.394 3.666 . 0 0 "[ . 1 . 2]" 1
747 1 53 ARG QG 1 54 PHE H 4.110 . 4.110 2.490 2.109 3.503 . 0 0 "[ . 1 . 2]" 1
748 1 56 ASP H 1 58 LYS H 4.560 . 4.560 3.972 3.459 4.585 0.025 9 0 "[ . 1 . 2]" 1
749 1 54 PHE HB2 1 56 ASP H 4.120 . 4.120 3.195 2.776 3.999 . 0 0 "[ . 1 . 2]" 1
750 1 54 PHE HB3 1 56 ASP H 4.120 . 4.120 2.714 2.395 3.357 . 0 0 "[ . 1 . 2]" 1
751 1 56 ASP H 1 56 ASP HB2 3.990 . 3.990 2.965 2.424 3.680 . 0 0 "[ . 1 . 2]" 1
752 1 56 ASP H 1 56 ASP HB3 3.990 . 3.990 2.888 2.305 3.626 . 0 0 "[ . 1 . 2]" 1
753 1 58 LYS H 1 59 GLN H 4.120 . 4.120 4.552 4.303 4.647 0.527 12 6 "[ * -** 1 + . * 2]" 1
754 1 59 GLN QE 1 62 SER QB . . 3.500 3.016 2.037 4.151 0.651 16 3 "[ - . 1 .+ *]" 1
755 1 59 GLN QE 1 59 GLN QG . . 2.900 2.183 2.129 2.252 . 0 0 "[ . 1 . 2]" 1
756 1 58 LYS HA 1 59 GLN H 2.770 . 2.770 2.292 2.140 2.433 . 0 0 "[ . 1 . 2]" 1
757 1 58 LYS HG3 1 59 GLN H 4.320 . 4.320 2.911 2.166 3.417 . 0 0 "[ . 1 . 2]" 1
758 1 58 LYS HG2 1 59 GLN H 4.320 . 4.320 2.694 2.144 4.534 0.214 17 0 "[ . 1 . 2]" 1
759 1 57 GLY H 1 58 LYS H 3.140 . 3.140 2.392 2.049 2.841 . 0 0 "[ . 1 . 2]" 1
760 1 56 ASP H 1 57 GLY H 3.300 . 3.300 2.539 2.299 2.776 . 0 0 "[ . 1 . 2]" 1
761 1 56 ASP HA 1 57 GLY H 3.430 . 3.430 3.432 3.232 3.557 0.127 14 0 "[ . 1 . 2]" 1
762 1 55 PRO HA 1 57 GLY H 3.920 . 3.920 3.833 3.423 4.649 0.729 14 2 "[ . 1 +. - 2]" 1
763 1 53 ARG QD 1 57 GLY H . . 4.210 4.455 3.335 5.375 1.165 4 7 "[***+.* 1 .*- 2]" 1
764 1 53 ARG QB 1 57 GLY H 5.500 . 5.500 5.524 5.214 6.047 0.547 3 1 "[ + . 1 . 2]" 1
765 1 59 GLN H 1 60 PHE H 4.640 . 4.640 4.422 4.243 4.606 . 0 0 "[ . 1 . 2]" 1
766 1 60 PHE H 1 61 ASP H 3.140 . 3.140 2.530 2.146 2.826 . 0 0 "[ . 1 . 2]" 1
767 1 60 PHE H 1 60 PHE QD 5.420 . 5.420 2.964 1.829 4.241 . 0 0 "[ . 1 . 2]" 1
768 1 59 GLN HA 1 60 PHE H 3.160 . 3.160 2.287 2.138 2.657 . 0 0 "[ . 1 . 2]" 1
769 1 60 PHE QD 1 61 ASP H 5.130 . 5.130 3.252 2.951 3.821 . 0 0 "[ . 1 . 2]" 1
770 1 60 PHE HB3 1 61 ASP H 4.750 . 4.750 3.380 2.063 4.371 . 0 0 "[ . 1 . 2]" 1
771 1 71 GLN QE 1 72 PHE H 5.220 . 5.220 5.601 4.964 6.140 0.920 18 11 "[ **** *- 1* *.* +*2]" 1
772 1 47 THR HA 1 72 PHE H 4.240 . 4.240 3.861 3.703 4.002 . 0 0 "[ . 1 . 2]" 1
773 1 46 VAL HA 1 72 PHE H 5.040 . 5.040 4.859 4.782 4.929 . 0 0 "[ . 1 . 2]" 1
774 1 51 ASP HA 1 63 SER H 4.350 . 4.350 3.494 3.050 3.988 . 0 0 "[ . 1 . 2]" 1
775 1 63 SER H 1 64 ARG HG2 5.460 . 5.460 4.227 3.427 5.437 . 0 0 "[ . 1 . 2]" 1
776 1 63 SER H 1 64 ARG HG3 5.460 . 5.460 5.077 3.583 6.156 0.696 18 3 "[ . 1 *. -+ 2]" 1
777 1 63 SER H 1 64 ARG HB3 5.020 . 5.020 4.796 4.421 5.122 0.102 16 0 "[ . 1 . 2]" 1
778 1 63 SER H 1 64 ARG H 3.350 . 3.350 2.465 2.173 2.681 . 0 0 "[ . 1 . 2]" 1
779 1 64 ARG H 1 66 ARG H 4.850 . 4.850 4.083 3.896 4.486 . 0 0 "[ . 1 . 2]" 1
780 1 63 SER HB2 1 64 ARG H 4.680 . 4.680 3.266 2.855 4.157 . 0 0 "[ . 1 . 2]" 1
781 1 63 SER HB3 1 64 ARG H 4.680 . 4.680 3.986 3.039 4.167 . 0 0 "[ . 1 . 2]" 1
782 1 64 ARG H 1 64 ARG HD2 4.720 . 4.720 4.210 2.594 4.925 0.205 10 0 "[ . 1 . 2]" 1
783 1 64 ARG H 1 64 ARG HD3 4.720 . 4.720 4.423 3.860 4.758 0.038 20 0 "[ . 1 . 2]" 1
784 1 64 ARG H 1 64 ARG HG2 3.870 . 3.870 2.465 1.838 3.534 . 0 0 "[ . 1 . 2]" 1
785 1 64 ARG H 1 64 ARG HG3 3.870 . 3.870 3.125 1.872 3.970 0.100 14 0 "[ . 1 . 2]" 1
786 1 64 ARG H 1 64 ARG HB3 3.490 . 3.490 2.571 2.375 2.817 . 0 0 "[ . 1 . 2]" 1
787 1 64 ARG H 1 64 ARG HB2 3.850 . 3.850 3.601 3.574 3.635 . 0 0 "[ . 1 . 2]" 1
788 1 65 SER H 1 66 ARG H 3.930 . 3.930 2.583 2.481 2.717 . 0 0 "[ . 1 . 2]" 1
789 1 63 SER HA 1 66 ARG H 4.420 . 4.420 3.403 3.089 3.750 . 0 0 "[ . 1 . 2]" 1
790 1 65 SER HB2 1 66 ARG H 4.580 . 4.580 3.770 2.890 4.376 . 0 0 "[ . 1 . 2]" 1
791 1 65 SER HB3 1 66 ARG H 4.580 . 4.580 3.511 2.502 4.416 . 0 0 "[ . 1 . 2]" 1
792 1 64 ARG HA 1 66 ARG H 4.980 . 4.980 3.913 3.483 4.550 . 0 0 "[ . 1 . 2]" 1
793 1 66 ARG H 1 66 ARG HG2 4.390 . 4.390 3.007 1.786 4.210 0.014 6 0 "[ . 1 . 2]" 1
794 1 66 ARG H 1 66 ARG HG3 4.390 . 4.390 3.149 2.080 4.186 . 0 0 "[ . 1 . 2]" 1
795 1 67 GLY H 1 68 LYS H 3.270 . 3.270 2.735 2.456 2.921 . 0 0 "[ . 1 . 2]" 1
796 1 66 ARG H 1 67 GLY H 3.390 . 3.390 2.390 2.151 2.559 . 0 0 "[ . 1 . 2]" 1
797 1 64 ARG HA 1 67 GLY H 3.970 . 3.970 3.536 2.725 4.418 0.448 5 0 "[ . 1 . 2]" 1
798 1 67 GLY H 1 68 LYS HB3 5.220 . 5.220 5.057 4.675 5.467 0.247 9 0 "[ . 1 . 2]" 1
799 1 67 GLY H 1 68 LYS HB2 5.090 . 5.090 5.106 4.592 5.636 0.546 18 1 "[ . 1 . + 2]" 1
800 1 49 HIS HE1 1 68 LYS H 4.160 . 4.160 5.245 3.559 7.299 3.139 2 15 "[ +* -****1 **** ****]" 1
801 1 68 LYS H 1 68 LYS HB3 3.750 . 3.750 2.597 2.448 2.893 . 0 0 "[ . 1 . 2]" 1
802 1 68 LYS H 1 68 LYS HB2 3.540 . 3.540 2.873 2.541 3.334 . 0 0 "[ . 1 . 2]" 1
803 1 48 VAL H 1 70 PHE H 3.880 . 3.880 3.307 2.822 3.783 . 0 0 "[ . 1 . 2]" 1
804 1 70 PHE H 1 70 PHE HD1 5.470 . 5.470 5.067 4.754 5.247 . 0 0 "[ . 1 . 2]" 1
805 1 70 PHE H 1 70 PHE HD2 5.500 . 5.500 4.277 2.764 4.821 . 0 0 "[ . 1 . 2]" 1
806 1 49 HIS HD2 1 70 PHE H 5.500 . 5.500 5.102 3.067 7.177 1.677 4 4 "[ +. * -.* 2]" 1
807 1 50 TYR QE 1 70 PHE H 5.310 . 5.310 5.610 3.753 6.355 1.045 2 7 "[ +* * 1 -* .* *2]" 1
808 1 49 HIS HA 1 70 PHE H 4.400 . 4.400 3.382 2.945 3.766 . 0 0 "[ . 1 . 2]" 1
809 1 69 PRO HA 1 70 PHE H 3.120 . 3.120 2.386 2.162 2.629 . 0 0 "[ . 1 . 2]" 1
810 1 70 PHE H 1 70 PHE QB . . 3.170 2.581 2.259 2.778 . 0 0 "[ . 1 . 2]" 1
811 1 69 PRO QG 1 70 PHE H 5.340 . 5.340 4.297 3.862 4.986 . 0 0 "[ . 1 . 2]" 1
812 1 48 VAL QG 1 70 PHE H 4.020 . 4.020 3.439 3.013 3.895 . 0 0 "[ . 1 . 2]" 1
813 1 47 THR MG 1 70 PHE H 4.010 . 4.010 3.549 3.178 4.197 0.187 1 0 "[ . 1 . 2]" 1
814 1 70 PHE H 1 71 GLN H 4.720 . 4.720 4.352 4.012 4.632 . 0 0 "[ . 1 . 2]" 1
815 1 48 VAL H 1 71 GLN H 5.160 . 5.160 4.701 4.402 4.899 . 0 0 "[ . 1 . 2]" 1
816 1 70 PHE HD1 1 71 GLN H 5.150 . 5.150 3.709 3.039 4.157 . 0 0 "[ . 1 . 2]" 1
817 1 70 PHE HD2 1 71 GLN H 5.420 . 5.420 4.561 3.434 5.861 0.441 20 0 "[ . 1 . 2]" 1
818 1 70 PHE HA 1 71 GLN H 2.690 . 2.690 2.278 2.151 2.445 . 0 0 "[ . 1 . 2]" 1
819 1 70 PHE QB 1 71 GLN H . . 3.710 3.389 2.466 3.880 0.170 17 0 "[ . 1 . 2]" 1
820 1 48 VAL QG 1 71 GLN H 5.500 . 5.500 4.415 3.891 4.818 . 0 0 "[ . 1 . 2]" 1
821 1 47 THR MG 1 71 GLN H 4.870 . 4.870 4.694 4.195 5.086 0.216 1 0 "[ . 1 . 2]" 1
822 1 72 PHE H 1 73 THR H 4.840 . 4.840 4.372 4.315 4.415 . 0 0 "[ . 1 . 2]" 1
823 1 72 PHE HA 1 73 THR H 3.020 . 3.020 2.384 2.300 2.494 . 0 0 "[ . 1 . 2]" 1
824 1 73 THR H 1 73 THR HB 3.230 . 3.230 2.560 2.490 2.636 . 0 0 "[ . 1 . 2]" 1
825 1 72 PHE HB2 1 73 THR H 3.970 . 3.970 2.562 2.251 2.794 . 0 0 "[ . 1 . 2]" 1
826 1 72 PHE HB3 1 73 THR H 3.970 . 3.970 3.914 3.684 4.053 0.083 5 0 "[ . 1 . 2]" 1
827 1 73 THR H 1 78 GLU HB2 4.250 . 4.250 3.968 2.932 5.195 0.945 4 1 "[ +. 1 . 2]" 1
828 1 73 THR H 1 76 ALA MB 3.920 . 3.920 3.817 3.134 4.242 0.322 6 0 "[ . 1 . 2]" 1
829 1 73 THR H 1 73 THR MG 3.850 . 3.850 3.788 3.768 3.821 . 0 0 "[ . 1 . 2]" 1
830 1 73 THR H 1 79 VAL QG 5.500 . 5.500 5.144 4.296 5.678 0.178 4 0 "[ . 1 . 2]" 1
831 1 46 VAL QG 1 74 LEU H 4.300 . 4.300 2.588 2.441 3.067 . 0 0 "[ . 1 . 2]" 1
832 1 74 LEU H 1 74 LEU QB 3.220 . 3.220 2.231 2.218 2.253 . 0 0 "[ . 1 . 2]" 1
833 1 74 LEU H 1 74 LEU HG 4.620 . 4.620 4.491 4.446 4.544 . 0 0 "[ . 1 . 2]" 1
834 1 73 THR HA 1 74 LEU H 3.090 . 3.090 2.159 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
835 1 45 LYS HA 1 74 LEU H 3.830 . 3.830 3.396 3.217 3.613 . 0 0 "[ . 1 . 2]" 1
836 1 46 VAL H 1 74 LEU H 4.490 . 4.490 3.272 3.009 3.796 . 0 0 "[ . 1 . 2]" 1
837 1 73 THR H 1 74 LEU H 4.670 . 4.670 4.370 4.259 4.475 . 0 0 "[ . 1 . 2]" 1
838 1 74 LEU H 1 75 GLY H 4.810 . 4.810 4.582 4.406 4.635 . 0 0 "[ . 1 . 2]" 1
839 1 74 LEU HA 1 75 GLY H 3.190 . 3.190 2.197 2.132 2.261 . 0 0 "[ . 1 . 2]" 1
840 1 74 LEU HG 1 75 GLY H 4.270 . 4.270 2.978 2.665 3.570 . 0 0 "[ . 1 . 2]" 1
841 1 75 GLY H 1 76 ALA H 3.510 . 3.510 2.530 2.307 2.955 . 0 0 "[ . 1 . 2]" 1
842 1 74 LEU HA 1 76 ALA H 3.960 . 3.960 3.518 3.242 3.946 . 0 0 "[ . 1 . 2]" 1
843 1 73 THR HB 1 76 ALA H 4.790 . 4.790 4.378 3.371 5.540 0.750 12 1 "[ . 1 + . 2]" 1
844 1 76 ALA H 1 76 ALA MB 2.900 . 2.900 2.462 2.243 2.718 . 0 0 "[ . 1 . 2]" 1
845 1 74 LEU QB 1 76 ALA H 5.450 . 5.450 4.994 4.627 5.520 0.070 7 0 "[ . 1 . 2]" 1
846 1 73 THR MG 1 76 ALA H 4.080 . 4.080 3.915 2.983 4.937 0.857 12 4 "[ * . * 1 +- . 2]" 1
847 1 77 GLY H 1 78 GLU H 3.280 . 3.280 3.091 2.536 3.485 0.205 15 0 "[ . 1 . 2]" 1
848 1 77 GLY H 1 78 GLU HB2 5.130 . 5.130 5.402 4.956 5.756 0.626 18 4 "[ - . * *. + 2]" 1
849 1 76 ALA MB 1 77 GLY H 3.640 . 3.640 2.289 2.047 2.751 . 0 0 "[ . 1 . 2]" 1
850 1 77 GLY H 1 79 VAL QG 5.500 . 5.500 5.879 5.280 6.349 0.849 3 6 "[ + .* - * . ** 2]" 1
851 1 76 ALA H 1 78 GLU H 4.520 . 4.520 4.130 3.695 4.726 0.206 16 0 "[ . 1 . 2]" 1
852 1 78 GLU H 1 78 GLU HB2 3.190 . 3.190 2.508 2.349 2.661 . 0 0 "[ . 1 . 2]" 1
853 1 76 ALA MB 1 78 GLU H 3.760 . 3.760 2.843 2.459 3.301 . 0 0 "[ . 1 . 2]" 1
854 1 78 GLU H 1 79 VAL QG 4.250 . 4.250 3.726 3.307 4.017 . 0 0 "[ . 1 . 2]" 1
855 1 78 GLU H 1 79 VAL H 2.990 . 2.990 2.469 1.864 2.740 . 0 0 "[ . 1 . 2]" 1
856 1 77 GLY H 1 79 VAL H 4.710 . 4.710 5.237 4.672 5.670 0.960 3 11 "[* +*.** ** *-. ** 2]" 1
857 1 78 GLU HB2 1 79 VAL H 3.550 . 3.550 2.666 2.389 3.220 . 0 0 "[ . 1 . 2]" 1
858 1 76 ALA MB 1 79 VAL H 4.210 . 4.210 4.684 4.121 5.140 0.930 18 9 "[*-* .* * **. *+ 2]" 1
859 1 79 VAL H 1 79 VAL QG 2.940 . 2.940 2.162 1.916 2.314 . 0 0 "[ . 1 . 2]" 1
860 1 80 ILE H 1 80 ILE MD 3.990 . 3.990 3.597 3.480 3.716 . 0 0 "[ . 1 . 2]" 1
861 1 80 ILE HB 1 81 LYS H 3.910 . 3.910 2.716 2.238 2.956 . 0 0 "[ . 1 . 2]" 1
862 1 81 LYS H 1 81 LYS QB 3.360 . 3.360 2.220 2.063 2.504 . 0 0 "[ . 1 . 2]" 1
863 1 81 LYS H 1 81 LYS QG 4.020 . 4.020 3.100 2.036 3.921 . 0 0 "[ . 1 . 2]" 1
864 1 81 LYS H 1 82 GLY H 4.090 . 4.090 2.728 2.651 2.902 . 0 0 "[ . 1 . 2]" 1
865 1 82 GLY H 1 104 LEU HA 4.820 . 4.820 4.482 4.025 5.746 0.926 1 2 "[+ -. 1 . 2]" 1
866 1 80 ILE HB 1 82 GLY H 4.300 . 4.300 2.774 2.612 3.157 . 0 0 "[ . 1 . 2]" 1
867 1 81 LYS QB 1 82 GLY H 3.710 . 3.710 3.015 2.672 3.200 . 0 0 "[ . 1 . 2]" 1
868 1 82 GLY H 1 104 LEU QB 3.520 . 3.520 3.017 2.359 3.831 0.311 19 0 "[ . 1 . 2]" 1
869 1 82 GLY H 1 100 ILE MG 3.570 . 3.570 4.367 3.649 5.206 1.636 4 14 "[***+* *1* **.**-**]" 1
870 1 80 ILE MD 1 82 GLY H 4.280 . 4.280 3.464 3.017 3.847 . 0 0 "[ . 1 . 2]" 1
871 1 80 ILE MG 1 82 GLY H 5.040 . 5.040 4.339 4.225 4.514 . 0 0 "[ . 1 . 2]" 1
872 1 82 GLY H 1 83 TRP H 3.880 . 3.880 2.851 2.791 2.909 . 0 0 "[ . 1 . 2]" 1
873 1 83 TRP H 1 83 TRP HB2 3.220 . 3.220 2.486 2.389 2.582 . 0 0 "[ . 1 . 2]" 1
874 1 80 ILE HB 1 83 TRP H 4.670 . 4.670 4.075 3.774 5.039 0.369 9 0 "[ . 1 . 2]" 1
875 1 79 VAL HB 1 83 TRP H 4.640 . 4.640 4.479 3.817 4.968 0.328 6 0 "[ . 1 . 2]" 1
876 1 83 TRP H 1 104 LEU QD 5.120 . 5.120 5.245 4.730 5.823 0.703 19 2 "[ -. 1 . +2]" 1
877 1 80 ILE MD 1 83 TRP H 3.580 . 3.580 3.293 3.035 4.243 0.663 9 1 "[ . +1 . 2]" 1
878 1 79 VAL QG 1 83 TRP H 4.290 . 4.290 3.914 3.642 4.145 . 0 0 "[ . 1 . 2]" 1
879 1 80 ILE MG 1 83 TRP H 4.580 . 4.580 4.725 4.508 5.255 0.675 9 1 "[ . +1 . 2]" 1
880 1 82 GLY H 1 84 ASP H 5.000 . 5.000 3.952 3.674 4.193 . 0 0 "[ . 1 . 2]" 1
881 1 84 ASP H 1 85 GLN H 3.330 . 3.330 2.882 2.795 2.947 . 0 0 "[ . 1 . 2]" 1
882 1 83 TRP H 1 84 ASP H 3.210 . 3.210 2.523 2.370 2.613 . 0 0 "[ . 1 . 2]" 1
883 1 81 LYS HA 1 84 ASP H 3.750 . 3.750 3.157 2.914 3.430 . 0 0 "[ . 1 . 2]" 1
884 1 83 TRP HB2 1 84 ASP H 3.020 . 3.020 2.681 2.550 2.888 . 0 0 "[ . 1 . 2]" 1
885 1 81 LYS QB 1 84 ASP H 5.500 . 5.500 4.851 4.643 5.010 . 0 0 "[ . 1 . 2]" 1
886 1 81 LYS QD 1 84 ASP H 5.500 . 5.500 4.404 4.009 4.821 . 0 0 "[ . 1 . 2]" 1
887 1 80 ILE QG 1 84 ASP H 4.560 . 4.560 3.685 3.554 4.188 . 0 0 "[ . 1 . 2]" 1
888 1 80 ILE MD 1 84 ASP H 5.410 . 5.410 5.195 5.051 5.744 0.334 9 0 "[ . 1 . 2]" 1
889 1 79 VAL QG 1 84 ASP H 3.410 . 3.410 2.715 2.459 3.055 . 0 0 "[ . 1 . 2]" 1
890 1 80 ILE MG 1 84 ASP H 5.500 . 5.500 5.751 5.643 5.852 0.352 16 0 "[ . 1 . 2]" 1
891 1 85 GLN H 1 87 VAL H 5.020 . 5.020 4.409 4.307 4.560 . 0 0 "[ . 1 . 2]" 1
892 1 83 TRP H 1 85 GLN H 4.400 . 4.400 4.356 4.111 4.524 0.124 2 0 "[ . 1 . 2]" 1
893 1 81 LYS HA 1 85 GLN H 4.270 . 4.270 3.509 3.094 3.965 . 0 0 "[ . 1 . 2]" 1
894 1 84 ASP QB 1 85 GLN H 3.510 . 3.510 2.379 2.233 3.032 . 0 0 "[ . 1 . 2]" 1
895 1 85 GLN H 1 85 GLN HG2 4.490 . 4.490 3.640 2.224 4.499 0.009 14 0 "[ . 1 . 2]" 1
896 1 85 GLN H 1 85 GLN HG3 4.490 . 4.490 2.990 2.251 4.493 0.003 5 0 "[ . 1 . 2]" 1
897 1 85 GLN H 1 85 GLN HB2 3.550 . 3.550 2.488 2.425 2.594 . 0 0 "[ . 1 . 2]" 1
898 1 81 LYS QB 1 85 GLN H 5.390 . 5.390 4.345 3.811 5.012 . 0 0 "[ . 1 . 2]" 1
899 1 81 LYS QD 1 85 GLN H 5.500 . 5.500 3.723 2.904 4.968 . 0 0 "[ . 1 . 2]" 1
900 1 79 VAL QG 1 85 GLN H 4.960 . 4.960 4.856 4.671 5.138 0.178 11 0 "[ . 1 . 2]" 1
901 1 86 GLY H 1 87 VAL H 3.460 . 3.460 2.919 2.855 2.982 . 0 0 "[ . 1 . 2]" 1
902 1 85 GLN H 1 86 GLY H 3.370 . 3.370 2.583 2.497 2.731 . 0 0 "[ . 1 . 2]" 1
903 1 84 ASP H 1 86 GLY H 4.960 . 4.960 4.021 3.750 4.215 . 0 0 "[ . 1 . 2]" 1
904 1 86 GLY H 1 98 PHE QD 5.170 . 5.170 4.959 4.294 6.157 0.987 17 2 "[ - . 1 . + 2]" 1
905 1 86 GLY H 1 88 ALA H 5.000 . 5.000 3.981 3.884 4.101 . 0 0 "[ . 1 . 2]" 1
906 1 83 TRP HA 1 86 GLY H 3.830 . 3.830 3.305 2.886 3.651 . 0 0 "[ . 1 . 2]" 1
907 1 85 GLN HG2 1 86 GLY H 5.060 . 5.060 4.630 3.611 5.063 0.003 4 0 "[ . 1 . 2]" 1
908 1 85 GLN HG3 1 86 GLY H 5.060 . 5.060 4.489 4.286 5.098 0.038 8 0 "[ . 1 . 2]" 1
909 1 85 GLN HB2 1 86 GLY H 3.920 . 3.920 2.962 2.443 3.902 . 0 0 "[ . 1 . 2]" 1
910 1 83 TRP HA 1 87 VAL H 4.520 . 4.520 3.819 3.594 4.060 . 0 0 "[ . 1 . 2]" 1
911 1 84 ASP HA 1 87 VAL H 4.760 . 4.760 3.913 3.587 4.150 . 0 0 "[ . 1 . 2]" 1
912 1 87 VAL H 1 87 VAL HB 3.770 . 3.770 2.991 2.520 3.655 . 0 0 "[ . 1 . 2]" 1
913 1 87 VAL H 1 87 VAL MG2 3.900 . 3.900 3.192 2.010 3.804 . 0 0 "[ . 1 . 2]" 1
914 1 87 VAL H 1 88 ALA H 3.380 . 3.380 2.492 2.452 2.547 . 0 0 "[ . 1 . 2]" 1
915 1 85 GLN HA 1 88 ALA H 3.840 . 3.840 3.274 3.042 3.531 . 0 0 "[ . 1 . 2]" 1
916 1 88 ALA H 1 89 THR H 3.490 . 3.490 2.642 2.516 2.738 . 0 0 "[ . 1 . 2]" 1
917 1 87 VAL HA 1 89 THR H 4.880 . 4.880 4.024 3.841 4.158 . 0 0 "[ . 1 . 2]" 1
918 1 89 THR H 1 90 MET QG . . 4.160 3.886 3.588 4.449 0.289 6 0 "[ . 1 . 2]" 1
919 1 89 THR H 1 90 MET ME 5.160 . 5.160 5.087 4.398 6.319 1.159 2 4 "[*+ .- 1* . 2]" 1
920 1 89 THR H 1 89 THR MG 2.940 . 2.940 2.125 2.043 2.216 . 0 0 "[ . 1 . 2]" 1
921 1 89 THR H 1 90 MET H 3.150 . 3.150 2.592 2.351 2.836 . 0 0 "[ . 1 . 2]" 1
922 1 88 ALA H 1 90 MET H 5.070 . 5.070 4.222 4.040 4.457 . 0 0 "[ . 1 . 2]" 1
923 1 88 ALA HA 1 90 MET H 4.640 . 4.640 3.785 3.485 4.162 . 0 0 "[ . 1 . 2]" 1
924 1 87 VAL HA 1 90 MET H 4.260 . 4.260 3.762 3.371 4.176 . 0 0 "[ . 1 . 2]" 1
925 1 90 MET H 1 90 MET QG . . 3.150 2.270 2.108 2.447 . 0 0 "[ . 1 . 2]" 1
926 1 87 VAL MG1 1 90 MET H 5.500 . 5.500 5.189 4.800 5.769 0.269 14 0 "[ . 1 . 2]" 1
927 1 87 VAL MG2 1 90 MET H 5.500 . 5.500 4.577 4.180 5.193 . 0 0 "[ . 1 . 2]" 1
928 1 90 MET H 1 91 THR MG 5.500 . 5.500 4.944 4.597 5.286 . 0 0 "[ . 1 . 2]" 1
929 1 91 THR H 1 94 GLU H 4.630 . 4.630 4.487 3.911 5.386 0.756 2 1 "[ + . 1 . 2]" 1
930 1 34 GLY HA3 1 91 THR H 4.560 . 4.560 4.409 3.638 5.014 0.454 11 0 "[ . 1 . 2]" 1
931 1 90 MET QG 1 91 THR H . . 4.060 2.950 2.569 3.258 . 0 0 "[ . 1 . 2]" 1
932 1 91 THR H 1 94 GLU QG 4.760 . 4.760 3.390 3.194 3.732 . 0 0 "[ . 1 . 2]" 1
933 1 91 THR H 1 94 GLU HB2 3.820 . 3.820 3.024 2.558 3.696 . 0 0 "[ . 1 . 2]" 1
934 1 91 THR H 1 94 GLU HB3 3.160 . 3.160 2.394 2.101 2.983 . 0 0 "[ . 1 . 2]" 1
935 1 91 THR H 1 91 THR MG 3.670 . 3.670 3.024 2.832 3.262 . 0 0 "[ . 1 . 2]" 1
936 1 91 THR H 1 127 LEU HG 4.890 . 4.890 5.011 4.388 5.811 0.921 7 3 "[- . + 1 * 2]" 1
937 1 38 THR H 1 92 LEU H 4.290 . 4.290 4.212 3.911 5.135 0.845 7 1 "[ . + 1 . 2]" 1
938 1 37 VAL H 1 92 LEU H 5.500 . 5.500 5.646 5.071 6.121 0.621 8 2 "[ . -+ 1 . 2]" 1
939 1 36 GLY H 1 92 LEU H 4.720 . 4.720 3.877 3.433 4.193 . 0 0 "[ . 1 . 2]" 1
940 1 91 THR HA 1 92 LEU H 3.210 . 3.210 2.600 2.549 2.639 . 0 0 "[ . 1 . 2]" 1
941 1 91 THR HB 1 92 LEU H 3.380 . 3.380 2.057 2.012 2.141 . 0 0 "[ . 1 . 2]" 1
942 1 92 LEU H 1 92 LEU HB2 3.700 . 3.700 2.364 2.177 2.496 . 0 0 "[ . 1 . 2]" 1
943 1 38 THR MG 1 92 LEU H 3.530 . 3.530 3.965 3.036 5.488 1.958 7 5 "[ * . +- 1 ** . 2]" 1
944 1 92 LEU H 1 92 LEU HB3 3.700 . 3.700 2.643 2.509 2.852 . 0 0 "[ . 1 . 2]" 1
945 1 91 THR MG 1 92 LEU H 3.400 . 3.400 3.485 3.366 3.591 0.191 5 0 "[ . 1 . 2]" 1
946 1 92 LEU HA 1 93 GLY H 3.160 . 3.160 2.160 2.133 2.197 . 0 0 "[ . 1 . 2]" 1
947 1 93 GLY H 1 94 GLU HB3 5.120 . 5.120 4.768 4.536 4.922 . 0 0 "[ . 1 . 2]" 1
948 1 92 LEU QD 1 93 GLY H . . 3.210 2.341 1.787 2.705 0.013 10 0 "[ . 1 . 2]" 1
949 1 34 GLY H 1 94 GLU H 5.100 . 5.100 5.137 4.663 5.733 0.633 2 3 "[ + -. 1 * 2]" 1
950 1 93 GLY H 1 94 GLU H 3.470 . 3.470 2.456 2.361 2.545 . 0 0 "[ . 1 . 2]" 1
951 1 34 GLY HA2 1 94 GLU H 4.420 . 4.420 4.218 3.619 4.826 0.406 15 0 "[ . 1 . 2]" 1
952 1 34 GLY HA3 1 94 GLU H 3.990 . 3.990 3.607 3.337 4.128 0.138 2 0 "[ . 1 . 2]" 1
953 1 94 GLU H 1 94 GLU QG 4.570 . 4.570 4.060 4.015 4.110 . 0 0 "[ . 1 . 2]" 1
954 1 94 GLU H 1 94 GLU HB2 3.310 . 3.310 2.869 2.585 3.147 . 0 0 "[ . 1 . 2]" 1
955 1 94 GLU H 1 94 GLU HB3 3.150 . 3.150 2.606 2.500 2.724 . 0 0 "[ . 1 . 2]" 1
956 1 94 GLU H 1 127 LEU HG 4.300 . 4.300 5.016 4.405 5.560 1.260 1 15 "[+***.** -1 * *******]" 1
957 1 32 THR H 1 95 LYS H 4.050 . 4.050 3.035 2.813 3.368 . 0 0 "[ . 1 . 2]" 1
958 1 94 GLU HB2 1 95 LYS H 4.840 . 4.840 4.127 3.950 4.280 . 0 0 "[ . 1 . 2]" 1
959 1 90 MET ME 1 95 LYS H 4.810 . 4.810 4.334 3.320 5.902 1.092 4 2 "[ +. -1 . 2]" 1
960 1 94 GLU HB3 1 95 LYS H 5.150 . 5.150 3.960 3.782 4.200 . 0 0 "[ . 1 . 2]" 1
961 1 32 THR MG 1 95 LYS H 4.310 . 4.310 3.623 3.188 3.964 . 0 0 "[ . 1 . 2]" 1
962 1 95 LYS HA 1 96 ALA H 2.970 . 2.970 2.170 2.134 2.223 . 0 0 "[ . 1 . 2]" 1
963 1 95 LYS QB 1 96 ALA H 4.370 . 4.370 3.699 3.045 3.881 . 0 0 "[ . 1 . 2]" 1
964 1 95 LYS HG2 1 96 ALA H 4.490 . 4.490 3.226 2.517 4.959 0.469 1 0 "[ . 1 . 2]" 1
965 1 96 ALA H 1 96 ALA MB 3.340 . 3.340 2.577 2.430 2.689 . 0 0 "[ . 1 . 2]" 1
966 1 97 LEU H 1 98 PHE H 4.550 . 4.550 4.329 4.249 4.458 . 0 0 "[ . 1 . 2]" 1
967 1 96 ALA H 1 97 LEU H 4.540 . 4.540 4.361 4.322 4.459 . 0 0 "[ . 1 . 2]" 1
968 1 29 LYS H 1 97 LEU H 3.640 . 3.640 3.143 2.827 3.688 0.048 7 0 "[ . 1 . 2]" 1
969 1 96 ALA HA 1 97 LEU H 2.990 . 2.990 2.202 2.126 2.284 . 0 0 "[ . 1 . 2]" 1
970 1 30 VAL HA 1 97 LEU H 4.020 . 4.020 3.577 2.916 3.997 . 0 0 "[ . 1 . 2]" 1
971 1 97 LEU H 1 97 LEU HB2 3.480 . 3.480 2.729 2.648 2.790 . 0 0 "[ . 1 . 2]" 1
972 1 97 LEU H 1 97 LEU HB3 3.480 . 3.480 2.410 2.351 2.479 . 0 0 "[ . 1 . 2]" 1
973 1 98 PHE H 1 125 VAL H 4.330 . 4.330 3.383 3.123 3.833 . 0 0 "[ . 1 . 2]" 1
974 1 98 PHE H 1 99 THR H 4.230 . 4.230 4.323 4.197 4.464 0.234 9 0 "[ . 1 . 2]" 1
975 1 98 PHE H 1 98 PHE QD 5.030 . 5.030 4.333 4.271 4.385 . 0 0 "[ . 1 . 2]" 1
976 1 97 LEU HA 1 98 PHE H 2.980 . 2.980 2.168 2.137 2.188 . 0 0 "[ . 1 . 2]" 1
977 1 98 PHE H 1 98 PHE HB2 3.930 . 3.930 2.821 2.616 3.195 . 0 0 "[ . 1 . 2]" 1
978 1 98 PHE H 1 98 PHE HB3 3.930 . 3.930 2.739 2.647 2.816 . 0 0 "[ . 1 . 2]" 1
979 1 98 PHE H 1 123 PHE QB 4.990 . 4.990 4.241 4.035 4.412 . 0 0 "[ . 1 . 2]" 1
980 1 97 LEU HB2 1 98 PHE H 4.520 . 4.520 4.420 4.306 4.488 . 0 0 "[ . 1 . 2]" 1
981 1 97 LEU HG 1 98 PHE H 4.200 . 4.200 3.423 3.048 3.604 . 0 0 "[ . 1 . 2]" 1
982 1 97 LEU HB3 1 98 PHE H 4.520 . 4.520 4.395 4.300 4.451 . 0 0 "[ . 1 . 2]" 1
983 1 98 PHE H 1 100 ILE MD 4.540 . 4.540 5.285 4.738 5.981 1.441 4 14 "[***+- *1* **.*****]" 1
984 1 98 PHE QD 1 99 THR H 4.750 . 4.750 3.481 2.551 3.990 . 0 0 "[ . 1 . 2]" 1
985 1 98 PHE HA 1 99 THR H 2.900 . 2.900 2.152 2.127 2.188 . 0 0 "[ . 1 . 2]" 1
986 1 99 THR H 1 99 THR HB 3.450 . 3.450 2.586 2.525 2.714 . 0 0 "[ . 1 . 2]" 1
987 1 27 GLU QB 1 99 THR H 3.920 . 3.920 3.461 2.571 4.201 0.281 18 0 "[ . 1 . 2]" 1
988 1 99 THR H 1 99 THR MG 3.950 . 3.950 3.789 3.760 3.820 . 0 0 "[ . 1 . 2]" 1
989 1 99 THR H 1 100 ILE H 4.970 . 4.970 4.390 4.293 4.538 . 0 0 "[ . 1 . 2]" 1
990 1 100 ILE H 1 122 VAL HA 4.110 . 4.110 2.508 2.197 3.028 . 0 0 "[ . 1 . 2]" 1
991 1 99 THR HB 1 100 ILE H 4.920 . 4.920 4.290 4.107 4.377 . 0 0 "[ . 1 . 2]" 1
992 1 100 ILE H 1 100 ILE HB 3.520 . 3.520 2.512 2.387 2.606 . 0 0 "[ . 1 . 2]" 1
993 1 99 THR MG 1 100 ILE H 3.330 . 3.330 3.043 2.641 3.207 . 0 0 "[ . 1 . 2]" 1
994 1 100 ILE H 1 100 ILE MG 3.960 . 3.960 3.793 3.745 3.837 . 0 0 "[ . 1 . 2]" 1
995 1 100 ILE H 1 100 ILE MD 4.220 . 4.220 3.567 3.301 3.855 . 0 0 "[ . 1 . 2]" 1
996 1 102 TYR H 1 104 LEU H 5.110 . 5.110 4.303 4.156 4.421 . 0 0 "[ . 1 . 2]" 1
997 1 102 TYR H 1 105 ALA H 5.500 . 5.500 5.559 5.121 5.868 0.368 7 0 "[ . 1 . 2]" 1
998 1 102 TYR H 1 102 TYR QE 4.390 . 4.390 4.116 3.866 4.367 . 0 0 "[ . 1 . 2]" 1
999 1 102 TYR H 1 120 THR HB 5.500 . 5.500 4.766 4.177 5.761 0.261 2 0 "[ . 1 . 2]" 1
1000 1 102 TYR H 1 105 ALA MB 5.000 . 5.000 5.016 4.214 5.682 0.682 13 1 "[ . 1 + . 2]" 1
1001 1 102 TYR H 1 120 THR MG 4.470 . 4.470 3.332 2.993 4.085 . 0 0 "[ . 1 . 2]" 1
1002 1 102 TYR H 1 103 GLN H 3.710 . 3.710 2.781 2.726 2.865 . 0 0 "[ . 1 . 2]" 1
1003 1 103 GLN H 1 104 LEU H 3.230 . 3.230 2.595 2.475 2.672 . 0 0 "[ . 1 . 2]" 1
1004 1 102 TYR QE 1 103 GLN H 4.140 . 4.140 4.123 3.755 4.365 0.225 19 0 "[ . 1 . 2]" 1
1005 1 103 GLN H 1 103 GLN HG2 3.790 . 3.790 2.511 1.923 3.790 . 19 0 "[ . 1 . 2]" 1
1006 1 103 GLN H 1 103 GLN HG3 3.790 . 3.790 2.959 2.116 3.460 . 0 0 "[ . 1 . 2]" 1
1007 1 103 GLN H 1 103 GLN HB2 3.630 . 3.630 3.266 2.361 3.640 0.010 14 0 "[ . 1 . 2]" 1
1008 1 103 GLN H 1 103 GLN HB3 3.630 . 3.630 2.902 2.529 3.619 . 0 0 "[ . 1 . 2]" 1
1009 1 103 GLN H 1 104 LEU QB 4.780 . 4.780 4.652 4.510 4.796 0.016 4 0 "[ . 1 . 2]" 1
1010 1 24 ALA MB 1 103 GLN H 4.780 . 4.780 5.270 3.731 7.484 2.704 8 9 "[ * * + 1** *. **-2]" 1
1011 1 103 GLN H 1 104 LEU HG 4.750 . 4.750 4.321 4.118 4.544 . 0 0 "[ . 1 . 2]" 1
1012 1 104 LEU H 1 107 GLY H 5.500 . 5.500 5.935 5.422 6.402 0.902 8 9 "[ * * + 1 ***- * *]" 1
1013 1 103 GLN HB2 1 104 LEU H 4.480 . 4.480 3.780 2.744 4.336 . 0 0 "[ . 1 . 2]" 1
1014 1 104 LEU H 1 104 LEU QB 3.140 . 3.140 2.478 2.409 2.596 . 0 0 "[ . 1 . 2]" 1
1015 1 100 ILE MG 1 104 LEU H 4.190 . 4.190 3.761 3.342 4.107 . 0 0 "[ . 1 . 2]" 1
1016 1 104 LEU H 1 104 LEU HG 3.690 . 3.690 2.823 2.596 3.135 . 0 0 "[ . 1 . 2]" 1
1017 1 103 GLN H 1 105 ALA H 4.530 . 4.530 4.209 3.992 4.339 . 0 0 "[ . 1 . 2]" 1
1018 1 105 ALA H 1 107 GLY H 4.120 . 4.120 4.127 3.868 4.511 0.391 20 0 "[ . 1 . 2]" 1
1019 1 103 GLN HA 1 105 ALA H 4.880 . 4.880 3.777 3.455 4.444 . 0 0 "[ . 1 . 2]" 1
1020 1 80 ILE HB 1 105 ALA H 5.170 . 5.170 5.415 4.685 6.906 1.736 9 6 "[* *. +1 * .* -2]" 1
1021 1 105 ALA H 1 105 ALA MB 3.170 . 3.170 2.703 2.405 2.806 . 0 0 "[ . 1 . 2]" 1
1022 1 100 ILE MG 1 105 ALA H 3.980 . 3.980 3.926 3.168 4.294 0.314 7 0 "[ . 1 . 2]" 1
1023 1 80 ILE MD 1 105 ALA H 4.790 . 4.790 4.279 3.460 4.835 0.045 7 0 "[ . 1 . 2]" 1
1024 1 80 ILE MG 1 105 ALA H 5.110 . 5.110 5.099 4.602 6.101 0.991 9 1 "[ . +1 . 2]" 1
1025 1 105 ALA H 1 106 TYR H 4.530 . 4.530 4.368 4.307 4.421 . 0 0 "[ . 1 . 2]" 1
1026 1 106 TYR H 1 106 TYR QD 4.150 . 4.150 2.033 1.696 2.338 0.104 9 0 "[ . 1 . 2]" 1
1027 1 106 TYR H 1 106 TYR QB . . 3.840 2.571 2.411 2.707 . 0 0 "[ . 1 . 2]" 1
1028 1 100 ILE MG 1 106 TYR H 4.850 . 4.850 4.837 4.483 5.353 0.503 7 1 "[ . + 1 . 2]" 1
1029 1 106 TYR H 1 121 LEU HG 5.500 . 5.500 7.394 5.839 8.935 3.435 4 17 "[***+-** ****** ****]" 1
1030 1 106 TYR H 1 107 GLY H 3.380 . 3.380 2.552 2.448 2.653 . 0 0 "[ . 1 . 2]" 1
1031 1 106 TYR QB 1 107 GLY H 4.950 . 4.950 3.780 3.617 3.853 . 0 0 "[ . 1 . 2]" 1
1032 1 105 ALA MB 1 107 GLY H 3.750 . 3.750 2.299 2.177 2.389 . 0 0 "[ . 1 . 2]" 1
1033 1 109 ARG H 1 110 GLY H 3.870 . 3.870 2.322 2.010 2.710 . 0 0 "[ . 1 . 2]" 1
1034 1 110 GLY H 1 111 TYR H 4.600 . 4.600 4.078 3.095 4.610 0.010 6 0 "[ . 1 . 2]" 1
1035 1 106 TYR QB 1 110 GLY H 4.820 . 4.820 3.944 3.209 4.358 . 0 0 "[ . 1 . 2]" 1
1036 1 109 ARG HB2 1 110 GLY H 4.100 . 4.100 3.638 2.441 4.180 0.080 17 0 "[ . 1 . 2]" 1
1037 1 109 ARG HB3 1 110 GLY H 4.100 . 4.100 3.116 2.319 4.380 0.280 15 0 "[ . 1 . 2]" 1
1038 1 111 TYR H 1 115 ILE H 4.370 . 4.370 5.266 4.532 6.347 1.977 15 10 "[*- ** **1 * +** 2]" 1
1039 1 110 GLY QA 1 111 TYR H 3.260 . 3.260 2.241 2.076 2.430 . 0 0 "[ . 1 . 2]" 1
1040 1 111 TYR H 1 115 ILE HB 3.370 . 3.370 3.853 2.885 5.268 1.898 15 8 "[* ** -*1 * + * 2]" 1
1041 1 111 TYR H 1 115 ILE MG 3.800 . 3.800 4.057 3.298 5.190 1.390 15 6 "[* ** -1 + * 2]" 1
1042 1 114 VAL H 1 115 ILE H 3.690 . 3.690 2.472 2.340 2.634 . 0 0 "[ . 1 . 2]" 1
1043 1 115 ILE H 1 115 ILE HB 3.810 . 3.810 2.607 2.497 2.716 . 0 0 "[ . 1 . 2]" 1
1044 1 114 VAL MG1 1 115 ILE H 4.710 . 4.710 3.842 3.555 4.109 . 0 0 "[ . 1 . 2]" 1
1045 1 114 VAL MG2 1 115 ILE H 4.710 . 4.710 3.371 2.414 3.896 . 0 0 "[ . 1 . 2]" 1
1046 1 115 ILE H 1 115 ILE MD 4.960 . 4.960 3.632 3.490 3.759 . 0 0 "[ . 1 . 2]" 1
1047 1 102 TYR HB2 1 118 LYS H 4.730 . 4.730 3.800 3.388 4.406 . 0 0 "[ . 1 . 2]" 1
1048 1 118 LYS H 1 118 LYS QG 4.200 . 4.200 2.864 2.768 2.986 . 0 0 "[ . 1 . 2]" 1
1049 1 118 LYS H 1 119 ALA H 3.970 . 3.970 2.623 2.494 2.792 . 0 0 "[ . 1 . 2]" 1
1050 1 117 PRO HA 1 119 ALA H 4.910 . 4.910 3.499 3.268 3.993 . 0 0 "[ . 1 . 2]" 1
1051 1 119 ALA H 1 119 ALA MB 3.160 . 3.160 2.310 2.261 2.423 . 0 0 "[ . 1 . 2]" 1
1052 1 120 THR H 1 121 LEU H 4.690 . 4.690 4.557 4.466 4.621 . 0 0 "[ . 1 . 2]" 1
1053 1 119 ALA HA 1 120 THR H 2.640 . 2.640 2.162 2.130 2.242 . 0 0 "[ . 1 . 2]" 1
1054 1 120 THR H 1 120 THR HB 2.980 . 2.980 2.491 2.390 2.601 . 0 0 "[ . 1 . 2]" 1
1055 1 55 PRO QG 1 120 THR H 4.780 . 4.780 4.673 3.830 5.709 0.929 7 3 "[ . + 1 * . - 2]" 1
1056 1 119 ALA MB 1 120 THR H 3.200 . 3.200 3.130 2.678 3.500 0.300 7 0 "[ . 1 . 2]" 1
1057 1 120 THR H 1 120 THR MG 3.790 . 3.790 3.779 3.747 3.848 0.058 2 0 "[ . 1 . 2]" 1
1058 1 100 ILE H 1 121 LEU H 4.350 . 4.350 3.808 3.625 3.994 . 0 0 "[ . 1 . 2]" 1
1059 1 120 THR HB 1 121 LEU H 4.680 . 4.680 4.130 3.983 4.246 . 0 0 "[ . 1 . 2]" 1
1060 1 100 ILE HB 1 121 LEU H 4.060 . 4.060 3.394 3.118 3.669 . 0 0 "[ . 1 . 2]" 1
1061 1 120 THR MG 1 121 LEU H 3.140 . 3.140 2.587 2.383 2.889 . 0 0 "[ . 1 . 2]" 1
1062 1 100 ILE MG 1 121 LEU H 5.090 . 5.090 3.884 3.540 4.162 . 0 0 "[ . 1 . 2]" 1
1063 1 122 VAL H 1 123 PHE H 4.840 . 4.840 4.432 4.308 4.520 . 0 0 "[ . 1 . 2]" 1
1064 1 122 VAL H 1 122 VAL HB 3.320 . 3.320 2.552 2.441 2.719 . 0 0 "[ . 1 . 2]" 1
1065 1 120 THR MG 1 122 VAL H 4.210 . 4.210 4.860 4.485 5.167 0.957 13 16 "[ ***.*** * *+****-**]" 1
1066 1 98 PHE H 1 123 PHE H 3.770 . 3.770 3.571 3.381 3.842 0.072 10 0 "[ . 1 . 2]" 1
1067 1 123 PHE H 1 124 GLU H 4.870 . 4.870 4.243 4.149 4.400 . 0 0 "[ . 1 . 2]" 1
1068 1 123 PHE H 1 123 PHE QD 4.360 . 4.360 3.108 2.804 3.432 . 0 0 "[ . 1 . 2]" 1
1069 1 122 VAL HA 1 123 PHE H 2.910 . 2.910 2.181 2.141 2.228 . 0 0 "[ . 1 . 2]" 1
1070 1 123 PHE H 1 123 PHE QB 3.510 . 3.510 2.540 2.393 2.654 . 0 0 "[ . 1 . 2]" 1
1071 1 122 VAL HB 1 123 PHE H 4.430 . 4.430 4.169 3.984 4.358 . 0 0 "[ . 1 . 2]" 1
1072 1 100 ILE MD 1 123 PHE H 4.170 . 4.170 4.367 3.872 5.126 0.956 9 4 "[ -. +1 * . * 2]" 1
1073 1 123 PHE QD 1 124 GLU H 4.800 . 4.800 4.119 3.892 4.312 . 0 0 "[ . 1 . 2]" 1
1074 1 124 GLU H 1 124 GLU HA 2.940 . 2.940 2.884 2.866 2.913 . 0 0 "[ . 1 . 2]" 1
1075 1 50 TYR HA 1 124 GLU H 5.130 . 5.130 4.823 4.687 4.991 . 0 0 "[ . 1 . 2]" 1
1076 1 124 GLU H 1 124 GLU QB . . 3.640 2.360 2.264 2.486 . 0 0 "[ . 1 . 2]" 1
1077 1 124 GLU H 1 125 VAL QG 4.710 . 4.710 4.334 4.053 4.624 . 0 0 "[ . 1 . 2]" 1
1078 1 53 ARG H 1 124 GLU H 5.310 . 5.310 4.397 3.633 4.875 . 0 0 "[ . 1 . 2]" 1
1079 1 124 GLU H 1 125 VAL H 4.920 . 4.920 4.342 4.271 4.418 . 0 0 "[ . 1 . 2]" 1
1080 1 123 PHE QD 1 125 VAL H 5.500 . 5.500 6.372 6.129 6.620 1.120 11 20 [******-***+*********] 1
1081 1 97 LEU HA 1 125 VAL H 3.800 . 3.800 3.345 3.080 3.654 . 0 0 "[ . 1 . 2]" 1
1082 1 123 PHE QB 1 125 VAL H 5.120 . 5.120 4.469 4.155 4.685 . 0 0 "[ . 1 . 2]" 1
1083 1 125 VAL H 1 125 VAL HB 3.660 . 3.660 3.688 3.641 3.721 0.061 18 0 "[ . 1 . 2]" 1
1084 1 125 VAL H 1 125 VAL QG 3.520 . 3.520 1.914 1.832 1.988 . 0 0 "[ . 1 . 2]" 1
1085 1 49 HIS H 1 126 GLU H 3.750 . 3.750 2.746 2.507 2.972 . 0 0 "[ . 1 . 2]" 1
1086 1 50 TYR HA 1 126 GLU H 4.300 . 4.300 3.703 3.544 3.877 . 0 0 "[ . 1 . 2]" 1
1087 1 48 VAL HA 1 126 GLU H 5.230 . 5.230 4.677 4.430 4.891 . 0 0 "[ . 1 . 2]" 1
1088 1 49 HIS HA 1 126 GLU H 5.500 . 5.500 4.842 4.645 4.992 . 0 0 "[ . 1 . 2]" 1
1089 1 48 VAL HB 1 126 GLU H 4.230 . 4.230 3.655 3.327 4.055 . 0 0 "[ . 1 . 2]" 1
1090 1 126 GLU H 1 126 GLU HB2 3.800 . 3.800 3.227 3.039 3.408 . 0 0 "[ . 1 . 2]" 1
1091 1 126 GLU H 1 126 GLU HB3 3.800 . 3.800 2.764 2.648 2.885 . 0 0 "[ . 1 . 2]" 1
1092 1 48 VAL QG 1 126 GLU H 5.000 . 5.000 4.203 3.965 4.485 . 0 0 "[ . 1 . 2]" 1
1093 1 96 ALA H 1 127 LEU H 5.120 . 5.120 5.025 4.516 5.572 0.452 18 0 "[ . 1 . 2]" 1
1094 1 126 GLU H 1 127 LEU H 4.910 . 4.910 4.166 3.994 4.284 . 0 0 "[ . 1 . 2]" 1
1095 1 126 GLU HA 1 127 LEU H 3.140 . 3.140 2.167 2.149 2.186 . 0 0 "[ . 1 . 2]" 1
1096 1 127 LEU H 1 127 LEU HB2 3.620 . 3.620 2.580 2.403 2.730 . 0 0 "[ . 1 . 2]" 1
1097 1 95 LYS QB 1 127 LEU H 4.870 . 4.870 4.440 3.700 5.057 0.187 9 0 "[ . 1 . 2]" 1
1098 1 127 LEU H 1 127 LEU HB3 3.620 . 3.620 2.667 2.570 2.795 . 0 0 "[ . 1 . 2]" 1
1099 1 127 LEU H 1 127 LEU QD 4.010 . 4.010 3.708 3.643 3.738 . 0 0 "[ . 1 . 2]" 1
1100 1 127 LEU H 1 127 LEU HG 4.660 . 4.660 4.723 4.660 4.780 0.120 1 0 "[ . 1 . 2]" 1
1101 1 48 VAL HA 1 128 LEU H 3.730 . 3.730 2.377 2.100 2.510 . 0 0 "[ . 1 . 2]" 1
1102 1 48 VAL HB 1 128 LEU H 5.000 . 5.000 4.635 4.368 4.861 . 0 0 "[ . 1 . 2]" 1
1103 1 128 LEU H 1 129 ALA MB 4.410 . 4.410 4.606 4.473 4.738 0.328 9 0 "[ . 1 . 2]" 1
1104 1 127 LEU QD 1 128 LEU H 3.370 . 3.370 2.526 2.319 2.662 . 0 0 "[ . 1 . 2]" 1
1105 1 128 LEU H 1 129 ALA H 3.150 . 3.150 2.375 2.245 2.517 . 0 0 "[ . 1 . 2]" 1
1106 1 47 THR H 1 129 ALA H 3.540 . 3.540 3.293 2.916 3.586 0.046 3 0 "[ . 1 . 2]" 1
1107 1 48 VAL HA 1 129 ALA H 4.210 . 4.210 4.081 3.988 4.210 . 0 0 "[ . 1 . 2]" 1
1108 1 47 THR HB 1 129 ALA H 3.420 . 3.420 2.470 2.272 2.608 . 0 0 "[ . 1 . 2]" 1
1109 1 128 LEU HB2 1 129 ALA H 4.390 . 4.390 2.654 2.466 3.638 . 0 0 "[ . 1 . 2]" 1
1110 1 129 ALA H 1 129 ALA MB 2.950 . 2.950 2.779 2.670 2.883 . 0 0 "[ . 1 . 2]" 1
1111 1 127 LEU QD 1 129 ALA H 3.130 . 3.130 2.311 2.130 2.486 . 0 0 "[ . 1 . 2]" 1
1112 1 129 ALA HA 1 130 VAL H 2.620 . 2.620 2.419 2.186 2.656 0.036 15 0 "[ . 1 . 2]" 1
1113 1 130 VAL H 1 130 VAL HB 4.010 . 4.010 3.138 2.558 3.546 . 0 0 "[ . 1 . 2]" 1
1114 1 92 LEU HG 1 130 VAL H 4.020 . 4.020 4.050 3.121 5.468 1.448 15 5 "[ -*. * 1 + * 2]" 1
1115 1 92 LEU QD 1 130 VAL H . . 2.830 2.678 2.010 3.544 0.714 7 1 "[ . + 1 . 2]" 1
1116 1 71 GLN HA 1 71 GLN QE 4.570 . 4.570 4.378 4.069 4.651 0.081 18 0 "[ . 1 . 2]" 1
1117 1 71 GLN QE 1 129 ALA MB 4.090 . 4.090 4.404 3.672 5.294 1.204 1 6 "[+-* . 1* * * 2]" 1
1118 1 81 LYS QE 1 85 GLN QE 5.500 . 5.500 4.338 2.279 5.770 0.270 3 0 "[ . 1 . 2]" 1
1119 1 81 LYS QD 1 85 GLN QE . . 3.850 3.416 1.680 4.702 0.852 8 2 "[ . + 1 . -2]" 1
1120 1 12 LEU H 1 12 LEU QB 3.540 . 3.540 2.668 2.256 3.395 . 0 0 "[ . 1 . 2]" 1
1121 1 12 LEU QB 1 13 GLU H 4.050 . 4.050 3.150 1.992 3.990 . 0 0 "[ . 1 . 2]" 1
1122 1 13 GLU H 1 13 GLU QB 2.990 . 2.990 2.620 2.382 3.428 0.438 2 0 "[ . 1 . 2]" 1
1123 1 13 GLU H 1 13 GLU QG 3.510 . 3.510 2.482 2.041 2.965 . 0 0 "[ . 1 . 2]" 1
1124 1 13 GLU HA 1 13 GLU QG 3.680 . 3.680 2.749 2.414 3.521 . 0 0 "[ . 1 . 2]" 1
1125 1 13 GLU QB 1 14 ALA H 4.150 . 4.150 3.081 1.693 3.909 0.107 15 0 "[ . 1 . 2]" 1
1126 1 15 GLN H 1 15 GLN QB 3.410 . 3.410 2.643 2.244 3.419 0.009 20 0 "[ . 1 . 2]" 1
1127 1 15 GLN QB 1 16 THR H 4.480 . 4.480 3.229 2.215 4.020 . 0 0 "[ . 1 . 2]" 1
1128 1 17 GLN H 1 17 GLN QG 4.750 . 4.750 3.073 1.929 4.239 . 0 0 "[ . 1 . 2]" 1
1129 1 17 GLN HA 1 17 GLN QG 3.630 . 3.630 2.768 2.416 3.530 . 0 0 "[ . 1 . 2]" 1
1130 1 18 GLY QA 1 19 PRO QD 2.900 . 2.900 2.053 1.819 2.418 . 0 0 "[ . 1 . 2]" 1
1131 1 19 PRO QG 1 55 PRO QB 2.770 . 2.770 3.127 1.935 5.345 2.575 18 9 "[ * - ** *.* +**]" 1
1132 1 19 PRO QG 1 55 PRO QG 3.610 . 3.610 3.393 1.794 4.776 1.166 19 6 "[ . 1* *.* -+*]" 1
1133 1 19 PRO QG 1 55 PRO QD 4.620 . 4.620 4.729 3.293 6.320 1.700 19 7 "[ . 1- *.***+*]" 1
1134 1 19 PRO QG 1 56 ASP H 4.490 . 4.490 5.232 3.548 7.497 3.007 19 13 "[* **.** 1 **-* **+*]" 1
1135 1 19 PRO QG 1 56 ASP HA 5.350 . 5.350 5.224 3.080 7.691 2.341 12 6 "[* . * 1 +* . - *2]" 1
1136 1 23 SER QB 1 24 ALA H 3.900 . 3.900 2.660 1.722 3.866 0.078 9 0 "[ . 1 . 2]" 1
1137 1 24 ALA HA 1 25 GLN QB 4.950 . 4.950 4.516 4.352 4.679 . 0 0 "[ . 1 . 2]" 1
1138 1 24 ALA HA 1 25 GLN QG 3.980 . 3.980 4.154 3.568 4.842 0.862 19 2 "[ . 1 -. +2]" 1
1139 1 24 ALA HA 1 103 GLN QG 5.340 . 5.340 4.423 3.227 5.988 0.648 18 1 "[ . 1 . + 2]" 1
1140 1 24 ALA MB 1 103 GLN QG 4.330 . 4.330 4.001 2.814 5.960 1.630 8 4 "[ * + 1- . * 2]" 1
1141 1 25 GLN H 1 25 GLN QB 3.170 . 3.170 2.525 2.359 2.709 . 0 0 "[ . 1 . 2]" 1
1142 1 25 GLN H 1 25 GLN QG 3.580 . 3.580 2.696 2.128 3.321 . 0 0 "[ . 1 . 2]" 1
1143 1 25 GLN HA 1 25 GLN QG 3.600 . 3.600 2.805 2.446 3.510 . 0 0 "[ . 1 . 2]" 1
1144 1 25 GLN QB 1 25 GLN QG 2.350 . 2.350 2.033 1.992 2.093 . 0 0 "[ . 1 . 2]" 1
1145 1 25 GLN QB 1 26 LEU H 3.510 . 3.510 2.959 2.391 3.094 . 0 0 "[ . 1 . 2]" 1
1146 1 25 GLN QB 1 122 VAL QG 4.850 . 4.850 5.525 4.280 6.789 1.939 13 11 "[ * .*** 1 *+** * *-]" 1
1147 1 26 LEU QB 1 27 GLU H 4.390 . 4.390 3.930 3.688 4.000 . 0 0 "[ . 1 . 2]" 1
1148 1 28 LYS QB 1 97 LEU QD 4.870 . 4.870 5.167 4.371 5.918 1.048 7 5 "[ . +* 1 **. - 2]" 1
1149 1 28 LYS QE 1 28 LYS QG 3.330 . 3.330 2.314 2.134 2.740 . 0 0 "[ . 1 . 2]" 1
1150 1 28 LYS QG 1 29 LYS H 4.640 . 4.640 4.317 3.322 4.482 . 0 0 "[ . 1 . 2]" 1
1151 1 29 LYS H 1 97 LEU QD 4.580 . 4.580 3.381 2.901 4.200 . 0 0 "[ . 1 . 2]" 1
1152 1 29 LYS QB 1 30 VAL H 4.110 . 4.110 3.700 3.300 3.953 . 0 0 "[ . 1 . 2]" 1
1153 1 29 LYS QB 1 97 LEU H 4.030 . 4.030 3.297 2.772 3.945 . 0 0 "[ . 1 . 2]" 1
1154 1 30 VAL H 1 30 VAL QG 3.320 . 3.320 1.986 1.879 2.163 . 0 0 "[ . 1 . 2]" 1
1155 1 30 VAL HA 1 31 LEU QB 4.670 . 4.670 4.239 3.980 4.448 . 0 0 "[ . 1 . 2]" 1
1156 1 30 VAL QG 1 31 LEU H 3.170 . 3.170 2.894 2.429 3.229 0.059 5 0 "[ . 1 . 2]" 1
1157 1 30 VAL QG 1 32 THR H 3.490 . 3.490 2.613 2.126 3.013 . 0 0 "[ . 1 . 2]" 1
1158 1 30 VAL QG 1 33 PRO HA 3.210 . 3.210 2.427 2.094 3.109 . 0 0 "[ . 1 . 2]" 1
1159 1 30 VAL QG 1 33 PRO HB3 3.670 . 3.670 3.084 2.359 3.855 0.185 19 0 "[ . 1 . 2]" 1
1160 1 30 VAL QG 1 34 GLY H 4.860 . 4.860 3.825 3.230 4.430 . 0 0 "[ . 1 . 2]" 1
1161 1 30 VAL QG 1 94 GLU QG . . 3.640 2.562 2.141 3.195 . 0 0 "[ . 1 . 2]" 1
1162 1 30 VAL QG 1 95 LYS H 4.550 . 4.550 3.608 3.036 4.073 . 0 0 "[ . 1 . 2]" 1
1163 1 31 LEU H 1 31 LEU QB 3.310 . 3.310 2.369 2.202 2.476 . 0 0 "[ . 1 . 2]" 1
1164 1 31 LEU H 1 31 LEU QD 4.680 . 4.680 3.238 1.903 3.842 . 0 0 "[ . 1 . 2]" 1
1165 1 31 LEU HA 1 31 LEU QD 3.190 . 3.190 2.010 1.905 2.085 . 0 0 "[ . 1 . 2]" 1
1166 1 31 LEU QD 1 32 THR H 4.660 . 4.660 3.947 3.481 4.222 . 0 0 "[ . 1 . 2]" 1
1167 1 35 ASP H 1 35 ASP QB 3.120 . 3.120 2.376 2.197 2.550 . 0 0 "[ . 1 . 2]" 1
1168 1 35 ASP H 1 92 LEU QD 5.440 . 5.440 4.006 3.461 4.483 . 0 0 "[ . 1 . 2]" 1
1169 1 35 ASP QB 1 37 VAL H 4.690 . 4.690 2.775 2.227 3.663 . 0 0 "[ . 1 . 2]" 1
1170 1 35 ASP QB 1 37 VAL MG2 4.280 . 4.280 2.374 1.691 3.961 0.109 8 0 "[ . 1 . 2]" 1
1171 1 35 ASP QB 1 92 LEU QD 5.240 . 5.240 3.567 2.529 4.079 . 0 0 "[ . 1 . 2]" 1
1172 1 36 GLY QA 1 37 VAL MG1 4.350 . 4.350 3.661 3.426 3.875 . 0 0 "[ . 1 . 2]" 1
1173 1 36 GLY QA 1 37 VAL MG2 4.710 . 4.710 4.281 4.187 4.496 . 0 0 "[ . 1 . 2]" 1
1174 1 36 GLY QA 1 91 THR MG 3.400 . 3.400 2.005 1.750 2.302 0.050 20 0 "[ . 1 . 2]" 1
1175 1 38 THR HA 1 92 LEU QD 5.440 . 5.440 5.000 3.968 5.871 0.431 14 0 "[ . 1 . 2]" 1
1176 1 38 THR HB 1 92 LEU QB 3.900 . 3.900 2.593 2.160 3.438 . 0 0 "[ . 1 . 2]" 1
1177 1 38 THR MG 1 92 LEU QB 3.450 . 3.450 2.504 1.708 3.513 0.092 18 0 "[ . 1 . 2]" 1
1178 1 38 THR MG 1 130 VAL QG 2.800 . 2.800 3.952 2.407 5.313 2.513 7 15 "[*** **+******-** 2]" 1
1179 1 39 LYS H 1 39 LYS QB 3.210 . 3.210 2.577 2.305 3.125 . 0 0 "[ . 1 . 2]" 1
1180 1 40 PRO QB 1 41 GLN H 3.430 . 3.430 2.976 2.096 3.661 0.231 6 0 "[ . 1 . 2]" 1
1181 1 40 PRO QB 1 46 VAL QG 3.540 . 3.540 3.092 2.250 4.063 0.523 4 1 "[ +. 1 . 2]" 1
1182 1 40 PRO QB 1 74 LEU QD 3.200 . 3.200 2.435 1.961 3.457 0.257 7 0 "[ . 1 . 2]" 1
1183 1 40 PRO QB 1 130 VAL QG 2.880 . 2.880 2.962 1.894 5.600 2.720 3 6 "[* + . -* ** 2]" 1
1184 1 41 GLN H 1 41 GLN QB 3.110 . 3.110 2.989 2.392 3.310 0.200 2 0 "[ . 1 . 2]" 1
1185 1 41 GLN H 1 41 GLN QG 3.000 . 3.000 2.467 1.983 3.035 0.035 8 0 "[ . 1 . 2]" 1
1186 1 41 GLN H 1 44 LYS QG 4.220 . 4.220 3.703 2.299 5.906 1.686 3 3 "[ +*.- 1 . 2]" 1
1187 1 41 GLN H 1 130 VAL QG 4.500 . 4.500 3.687 2.746 5.342 0.842 3 2 "[ + . 1- . 2]" 1
1188 1 41 GLN HA 1 41 GLN QG 3.680 . 3.680 3.129 2.439 3.360 . 0 0 "[ . 1 . 2]" 1
1189 1 41 GLN QB 1 42 ALA H 3.220 . 3.220 2.561 2.145 3.282 0.062 6 0 "[ . 1 . 2]" 1
1190 1 41 GLN QB 1 44 LYS QE 4.600 . 4.600 4.892 3.364 6.523 1.923 11 7 "[ - * 1+ *.** *2]" 1
1191 1 41 GLN QG 1 44 LYS QG 4.340 . 4.340 2.844 1.893 5.075 0.735 19 1 "[ . 1 . +2]" 1
1192 1 41 GLN QE 1 44 LYS QG 4.770 . 4.770 3.717 2.734 5.607 0.837 3 1 "[ + . 1 . 2]" 1
1193 1 41 GLN QE 1 44 LYS QD 4.170 . 4.170 4.204 2.479 5.965 1.795 19 5 "[** . * 1 - . +2]" 1
1194 1 41 GLN QE 1 44 LYS QE 4.280 . 4.280 4.379 2.354 6.711 2.431 19 9 "[* * * 1**- .** +2]" 1
1195 1 43 GLY QA 1 44 LYS QG 4.350 . 4.350 3.889 3.271 4.741 0.391 19 0 "[ . 1 . 2]" 1
1196 1 43 GLY QA 1 73 THR MG 3.170 . 3.170 2.669 2.223 3.280 0.110 4 0 "[ . 1 . 2]" 1
1197 1 44 LYS QB 1 44 LYS QE 4.260 . 4.260 2.549 1.829 3.883 . 0 0 "[ . 1 . 2]" 1
1198 1 44 LYS QB 1 44 LYS QD 3.470 . 3.470 2.551 2.159 2.865 . 0 0 "[ . 1 . 2]" 1
1199 1 44 LYS QE 1 44 LYS QG 3.050 . 3.050 2.395 2.125 2.855 . 0 0 "[ . 1 . 2]" 1
1200 1 44 LYS QG 1 45 LYS H 4.920 . 4.920 4.325 3.752 4.776 . 0 0 "[ . 1 . 2]" 1
1201 1 44 LYS QD 1 45 LYS H 4.720 . 4.720 3.736 2.119 4.927 0.207 18 0 "[ . 1 . 2]" 1
1202 1 44 LYS QE 1 45 LYS H 5.340 . 5.340 4.371 2.456 5.971 0.631 15 1 "[ . 1 + 2]" 1
1203 1 45 LYS H 1 45 LYS QG 4.300 . 4.300 4.019 3.976 4.059 . 0 0 "[ . 1 . 2]" 1
1204 1 45 LYS H 1 45 LYS QD 4.620 . 4.620 4.496 4.366 4.577 . 0 0 "[ . 1 . 2]" 1
1205 1 45 LYS HB3 1 45 LYS QG 2.590 . 2.590 2.169 2.165 2.174 . 0 0 "[ . 1 . 2]" 1
1206 1 45 LYS HB3 1 45 LYS QE 4.430 . 4.430 3.563 3.320 4.071 . 0 0 "[ . 1 . 2]" 1
1207 1 45 LYS QG 1 46 VAL H 3.850 . 3.850 3.355 2.516 3.741 . 0 0 "[ . 1 . 2]" 1
1208 1 45 LYS QG 1 46 VAL HA 4.810 . 4.810 4.046 3.148 4.328 . 0 0 "[ . 1 . 2]" 1
1209 1 45 LYS QG 1 71 GLN HA 5.280 . 5.280 4.499 3.973 4.874 . 0 0 "[ . 1 . 2]" 1
1210 1 45 LYS QG 1 72 PHE H 4.880 . 4.880 4.036 3.588 4.530 . 0 0 "[ . 1 . 2]" 1
1211 1 45 LYS QG 1 73 THR HA 4.300 . 4.300 4.694 4.433 5.058 0.758 13 6 "[ *. *-1* + . * 2]" 1
1212 1 45 LYS QD 1 46 VAL H 4.590 . 4.590 2.889 2.255 3.214 . 0 0 "[ . 1 . 2]" 1
1213 1 45 LYS QD 1 72 PHE H 4.290 . 4.290 2.966 2.602 3.287 . 0 0 "[ . 1 . 2]" 1
1214 1 45 LYS QD 1 73 THR HA 3.710 . 3.710 3.199 2.837 3.701 . 0 0 "[ . 1 . 2]" 1
1215 1 46 VAL QG 1 87 VAL QG 4.550 . 4.550 2.733 2.209 3.154 . 0 0 "[ . 1 . 2]" 1
1216 1 47 THR HA 1 71 GLN QG 4.150 . 4.150 2.190 1.936 2.471 . 0 0 "[ . 1 . 2]" 1
1217 1 47 THR HB 1 128 LEU QB 4.840 . 4.840 2.933 2.446 3.230 . 0 0 "[ . 1 . 2]" 1
1218 1 48 VAL HA 1 128 LEU QB 4.560 . 4.560 3.638 3.084 3.967 . 0 0 "[ . 1 . 2]" 1
1219 1 48 VAL HA 1 128 LEU QD 5.340 . 5.340 2.634 2.160 4.700 . 0 0 "[ . 1 . 2]" 1
1220 1 48 VAL QG 1 70 PHE QB 3.790 . 3.790 2.455 2.083 3.188 . 0 0 "[ . 1 . 2]" 1
1221 1 49 HIS QB 1 128 LEU QD 4.680 . 4.680 1.974 1.695 3.125 0.105 1 0 "[ . 1 . 2]" 1
1222 1 49 HIS QB 1 126 GLU QB 4.230 . 4.230 1.899 1.581 2.396 0.219 13 0 "[ . 1 . 2]" 1
1223 1 49 HIS HD1 1 128 LEU QD 5.440 . 5.440 3.278 1.801 4.369 . 0 0 "[ . 1 . 2]" 1
1224 1 50 TYR HA 1 51 ASP QB 4.850 . 4.850 4.184 3.815 4.470 . 0 0 "[ . 1 . 2]" 1
1225 1 51 ASP H 1 51 ASP QB 3.390 . 3.390 2.658 2.531 2.801 . 0 0 "[ . 1 . 2]" 1
1226 1 51 ASP QB 1 52 GLY H 4.000 . 4.000 3.366 2.517 3.928 . 0 0 "[ . 1 . 2]" 1
1227 1 51 ASP QB 1 124 GLU QB 3.350 . 3.350 1.816 1.441 2.323 0.359 11 0 "[ . 1 . 2]" 1
1228 1 53 ARG QB 1 97 LEU QD . . 3.600 3.743 3.181 4.194 0.594 7 1 "[ . + 1 . 2]" 1
1229 1 53 ARG QB 1 122 VAL QG 4.920 . 4.920 2.620 2.273 3.329 . 0 0 "[ . 1 . 2]" 1
1230 1 53 ARG QG 1 59 GLN QG 3.630 . 3.630 3.726 2.104 4.444 0.814 1 3 "[+ . 1 * -2]" 1
1231 1 53 ARG QD 1 59 GLN HA 5.340 . 5.340 5.059 3.860 6.206 0.866 4 3 "[ +. 1 - . *2]" 1
1232 1 53 ARG QD 1 97 LEU QD 4.140 . 4.140 2.782 2.099 4.362 0.222 17 0 "[ . 1 . 2]" 1
1233 1 53 ARG QD 1 122 VAL QG 4.630 . 4.630 3.145 2.407 4.159 . 0 0 "[ . 1 . 2]" 1
1234 1 54 PHE H 1 54 PHE QB 3.220 . 3.220 2.410 2.339 2.507 . 0 0 "[ . 1 . 2]" 1
1235 1 54 PHE H 1 58 LYS QB 5.060 . 5.060 4.370 3.423 5.195 0.135 17 0 "[ . 1 . 2]" 1
1236 1 54 PHE QB 1 55 PRO QD 3.460 . 3.460 2.247 1.959 2.536 . 0 0 "[ . 1 . 2]" 1
1237 1 54 PHE QB 1 57 GLY H 4.420 . 4.420 3.295 2.877 3.731 . 0 0 "[ . 1 . 2]" 1
1238 1 54 PHE QB 1 58 LYS H 4.280 . 4.280 3.194 2.740 3.754 . 0 0 "[ . 1 . 2]" 1
1239 1 54 PHE QB 1 58 LYS QB 4.200 . 4.200 3.066 1.782 4.118 0.018 2 0 "[ . 1 . 2]" 1
1240 1 54 PHE QD 1 58 LYS QB 3.660 . 3.660 3.372 2.418 4.629 0.969 8 2 "[ - . + 1 . 2]" 1
1241 1 54 PHE QD 1 58 LYS QG 5.340 . 5.340 3.311 2.323 4.734 . 0 0 "[ . 1 . 2]" 1
1242 1 54 PHE QE 1 60 PHE QB 4.420 . 4.420 2.530 1.747 4.182 0.053 16 0 "[ . 1 . 2]" 1
1243 1 54 PHE QE 1 114 VAL QG 4.320 . 4.320 3.561 2.397 4.688 0.368 14 0 "[ . 1 . 2]" 1
1244 1 54 PHE QD 1 55 PRO QD 4.380 . 4.380 2.881 2.427 3.180 . 0 0 "[ . 1 . 2]" 1
1245 1 54 PHE QD 1 121 LEU QD 3.690 . 3.690 2.737 1.954 3.146 . 0 0 "[ . 1 . 2]" 1
1246 1 55 PRO HA 1 122 VAL QG 3.120 . 3.120 2.276 1.839 2.762 . 0 0 "[ . 1 . 2]" 1
1247 1 55 PRO QB 1 122 VAL QG 4.030 . 4.030 2.960 2.456 3.766 . 0 0 "[ . 1 . 2]" 1
1248 1 55 PRO QG 1 122 VAL QG . . 4.240 3.180 1.892 4.103 . 0 0 "[ . 1 . 2]" 1
1249 1 55 PRO QD 1 120 THR MG 4.940 . 4.940 4.502 3.839 5.209 0.269 20 0 "[ . 1 . 2]" 1
1250 1 55 PRO QD 1 122 VAL H 4.750 . 4.750 3.236 2.776 3.607 . 0 0 "[ . 1 . 2]" 1
1251 1 55 PRO QD 1 122 VAL QG 4.130 . 4.130 2.850 2.132 3.587 . 0 0 "[ . 1 . 2]" 1
1252 1 56 ASP H 1 56 ASP QB 3.470 . 3.470 2.430 2.187 2.615 . 0 0 "[ . 1 . 2]" 1
1253 1 57 GLY H 1 58 LYS QB 4.560 . 4.560 4.197 3.754 4.535 . 0 0 "[ . 1 . 2]" 1
1254 1 58 LYS H 1 58 LYS QB 3.080 . 3.080 2.326 2.185 2.775 . 0 0 "[ . 1 . 2]" 1
1255 1 58 LYS H 1 58 LYS QG 4.220 . 4.220 3.918 2.284 4.180 . 0 0 "[ . 1 . 2]" 1
1256 1 58 LYS H 1 58 LYS QD 5.340 . 5.340 4.706 4.288 5.329 . 0 0 "[ . 1 . 2]" 1
1257 1 58 LYS QG 1 59 GLN H 3.730 . 3.730 2.432 2.003 3.300 . 0 0 "[ . 1 . 2]" 1
1258 1 59 GLN H 1 59 GLN QE 4.850 . 4.850 4.997 3.757 6.220 1.370 17 4 "[ * . - 1 * . + 2]" 1
1259 1 59 GLN HA 1 59 GLN QG 3.470 . 3.470 3.239 2.453 3.511 0.041 16 0 "[ . 1 . 2]" 1
1260 1 60 PHE H 1 60 PHE QB 3.650 . 3.650 2.512 2.243 2.830 . 0 0 "[ . 1 . 2]" 1
1261 1 60 PHE QB 1 114 VAL QG 4.720 . 4.720 4.373 1.995 6.593 1.873 2 3 "[ + * - . 2]" 1
1262 1 60 PHE QD 1 61 ASP QB 3.400 . 3.400 2.518 2.269 3.007 . 0 0 "[ . 1 . 2]" 1
1263 1 60 PHE QD 1 114 VAL QG 3.830 . 3.830 4.514 2.494 6.110 2.280 6 12 "[ *-**+ * ****** 2]" 1
1264 1 61 ASP H 1 61 ASP QB 3.700 . 3.700 2.829 2.562 3.200 . 0 0 "[ . 1 . 2]" 1
1265 1 61 ASP QB 1 62 SER H 3.980 . 3.980 3.492 2.525 3.730 . 0 0 "[ . 1 . 2]" 1
1266 1 62 SER QB 1 63 SER H 3.590 . 3.590 3.802 3.317 4.041 0.451 20 0 "[ . 1 . 2]" 1
1267 1 62 SER QB 1 64 ARG H 4.830 . 4.830 3.791 2.960 4.792 . 0 0 "[ . 1 . 2]" 1
1268 1 63 SER H 1 63 SER QB 3.670 . 3.670 2.478 2.262 2.686 . 0 0 "[ . 1 . 2]" 1
1269 1 63 SER H 1 64 ARG QG 4.660 . 4.660 3.827 3.359 4.515 . 0 0 "[ . 1 . 2]" 1
1270 1 63 SER QB 1 64 ARG H 4.060 . 4.060 3.070 2.795 3.626 . 0 0 "[ . 1 . 2]" 1
1271 1 63 SER QB 1 64 ARG HA 5.340 . 5.340 4.153 3.935 4.560 . 0 0 "[ . 1 . 2]" 1
1272 1 64 ARG H 1 64 ARG QG 3.310 . 3.310 2.143 1.826 2.638 . 0 0 "[ . 1 . 2]" 1
1273 1 64 ARG H 1 64 ARG QD 4.010 . 4.010 3.753 2.562 4.177 0.167 18 0 "[ . 1 . 2]" 1
1274 1 64 ARG HA 1 64 ARG QD 4.480 . 4.480 4.309 3.765 4.626 0.146 17 0 "[ . 1 . 2]" 1
1275 1 64 ARG QG 1 65 SER H 4.180 . 4.180 2.260 1.848 2.978 . 0 0 "[ . 1 . 2]" 1
1276 1 64 ARG QG 1 65 SER HA 4.690 . 4.690 3.586 3.135 4.840 0.150 16 0 "[ . 1 . 2]" 1
1277 1 64 ARG QG 1 65 SER QB 5.150 . 5.150 3.414 2.772 4.933 . 0 0 "[ . 1 . 2]" 1
1278 1 65 SER QB 1 66 ARG H 3.950 . 3.950 3.050 2.468 3.839 . 0 0 "[ . 1 . 2]" 1
1279 1 65 SER QB 1 66 ARG HA 4.720 . 4.720 4.206 3.992 4.479 . 0 0 "[ . 1 . 2]" 1
1280 1 65 SER QB 1 66 ARG QG 4.700 . 4.700 3.572 2.992 4.760 0.060 13 0 "[ . 1 . 2]" 1
1281 1 66 ARG H 1 66 ARG QB 3.470 . 3.470 2.454 2.229 2.823 . 0 0 "[ . 1 . 2]" 1
1282 1 66 ARG H 1 66 ARG QG 3.720 . 3.720 2.423 1.762 3.740 0.038 6 0 "[ . 1 . 2]" 1
1283 1 66 ARG H 1 67 GLY QA 5.340 . 5.340 4.287 4.093 4.459 . 0 0 "[ . 1 . 2]" 1
1284 1 66 ARG HA 1 66 ARG QG 3.170 . 3.170 2.742 2.298 3.313 0.143 6 0 "[ . 1 . 2]" 1
1285 1 66 ARG HA 1 66 ARG QD 4.180 . 4.180 3.191 1.936 4.277 0.097 20 0 "[ . 1 . 2]" 1
1286 1 66 ARG QB 1 67 GLY H 3.860 . 3.860 3.106 2.782 3.696 . 0 0 "[ . 1 . 2]" 1
1287 1 66 ARG QB 1 68 LYS H 3.740 . 3.740 2.995 2.420 3.563 . 0 0 "[ . 1 . 2]" 1
1288 1 66 ARG QG 1 68 LYS H 4.820 . 4.820 4.773 2.649 5.396 0.576 11 2 "[ . -1+ . 2]" 1
1289 1 68 LYS HB2 1 69 PRO QD 4.520 . 4.520 3.979 3.749 4.162 . 0 0 "[ . 1 . 2]" 1
1290 1 69 PRO HA 1 70 PHE QB 5.120 . 5.120 4.101 3.860 4.505 . 0 0 "[ . 1 . 2]" 1
1291 1 69 PRO QG 1 128 LEU QD 3.420 . 3.420 4.251 3.605 5.013 1.593 17 16 "[* ****** 1*****-+**2]" 1
1292 1 71 GLN H 1 71 GLN QB 3.450 . 3.450 2.606 2.449 2.786 . 0 0 "[ . 1 . 2]" 1
1293 1 71 GLN HA 1 71 GLN QG 3.370 . 3.370 2.452 2.396 2.528 . 0 0 "[ . 1 . 2]" 1
1294 1 71 GLN QB 1 72 PHE H 3.870 . 3.870 3.039 2.819 3.183 . 0 0 "[ . 1 . 2]" 1
1295 1 71 GLN QG 1 72 PHE H 4.240 . 4.240 4.108 3.993 4.286 0.046 17 0 "[ . 1 . 2]" 1
1296 1 71 GLN QG 1 129 ALA MB 4.580 . 4.580 5.055 4.468 5.614 1.034 11 10 "[*** .** -1+ * ** 2]" 1
1297 1 72 PHE QB 1 73 THR H 3.180 . 3.180 2.529 2.232 2.747 . 0 0 "[ . 1 . 2]" 1
1298 1 77 GLY H 1 77 GLY QA 2.550 . 2.550 2.235 2.213 2.300 . 0 0 "[ . 1 . 2]" 1
1299 1 77 GLY QA 1 79 VAL H 4.100 . 4.100 3.521 3.075 3.892 . 0 0 "[ . 1 . 2]" 1
1300 1 78 GLU HA 1 78 GLU QG 3.010 . 3.010 2.873 2.362 3.121 0.111 10 0 "[ . 1 . 2]" 1
1301 1 78 GLU QG 1 79 VAL H 5.090 . 5.090 3.993 3.685 4.347 . 0 0 "[ . 1 . 2]" 1
1302 1 78 GLU QG 1 79 VAL QG 4.580 . 4.580 4.039 3.822 4.346 . 0 0 "[ . 1 . 2]" 1
1303 1 82 GLY QA 1 85 GLN QB 4.110 . 4.110 3.361 2.828 3.702 . 0 0 "[ . 1 . 2]" 1
1304 1 84 ASP H 1 85 GLN QB 4.960 . 4.960 4.791 4.500 5.001 0.041 16 0 "[ . 1 . 2]" 1
1305 1 84 ASP H 1 87 VAL QG 4.830 . 4.830 4.150 4.006 4.346 . 0 0 "[ . 1 . 2]" 1
1306 1 84 ASP HA 1 87 VAL QG 4.340 . 4.340 2.415 2.120 2.638 . 0 0 "[ . 1 . 2]" 1
1307 1 84 ASP QB 1 85 GLN QB . . 4.760 4.214 3.845 4.493 . 0 0 "[ . 1 . 2]" 1
1308 1 85 GLN H 1 85 GLN QB 2.910 . 2.910 2.382 2.233 2.487 . 0 0 "[ . 1 . 2]" 1
1309 1 85 GLN H 1 85 GLN QG 3.900 . 3.900 2.708 2.203 3.985 0.085 5 0 "[ . 1 . 2]" 1
1310 1 85 GLN H 1 86 GLY QA 5.230 . 5.230 4.447 4.376 4.567 . 0 0 "[ . 1 . 2]" 1
1311 1 85 GLN H 1 87 VAL QG 4.150 . 4.150 4.326 4.203 4.436 0.286 16 0 "[ . 1 . 2]" 1
1312 1 85 GLN HA 1 85 GLN QG 3.270 . 3.270 2.492 2.383 2.970 . 0 0 "[ . 1 . 2]" 1
1313 1 85 GLN HA 1 85 GLN QE 5.340 . 5.340 4.318 1.390 4.877 0.410 16 0 "[ . 1 . 2]" 1
1314 1 85 GLN QB 1 86 GLY H 3.220 . 3.220 2.585 2.392 2.706 . 0 0 "[ . 1 . 2]" 1
1315 1 85 GLN QB 1 86 GLY QA 4.750 . 4.750 3.679 3.499 3.806 . 0 0 "[ . 1 . 2]" 1
1316 1 85 GLN QB 1 98 PHE QD 5.340 . 5.340 5.426 4.576 6.581 1.241 17 3 "[ * . 1 . + -2]" 1
1317 1 85 GLN QE 1 85 GLN QG 2.940 . 2.940 2.226 2.128 2.681 . 0 0 "[ . 1 . 2]" 1
1318 1 85 GLN QG 1 86 GLY H 4.440 . 4.440 3.966 3.490 4.172 . 0 0 "[ . 1 . 2]" 1
1319 1 86 GLY H 1 87 VAL QG 4.160 . 4.160 3.966 3.793 4.223 0.063 17 0 "[ . 1 . 2]" 1
1320 1 86 GLY QA 1 89 THR H 4.510 . 4.510 3.753 3.638 3.837 . 0 0 "[ . 1 . 2]" 1
1321 1 86 GLY QA 1 89 THR MG 3.470 . 3.470 2.452 2.269 2.746 . 0 0 "[ . 1 . 2]" 1
1322 1 86 GLY QA 1 98 PHE QD 4.080 . 4.080 3.156 2.488 4.065 . 0 0 "[ . 1 . 2]" 1
1323 1 87 VAL H 1 87 VAL QG 2.890 . 2.890 2.000 1.832 2.247 . 0 0 "[ . 1 . 2]" 1
1324 1 87 VAL HA 1 87 VAL QG 2.780 . 2.780 2.299 2.205 2.384 . 0 0 "[ . 1 . 2]" 1
1325 1 87 VAL QG 1 88 ALA H 3.590 . 3.590 2.267 2.174 2.329 . 0 0 "[ . 1 . 2]" 1
1326 1 87 VAL QG 1 88 ALA HA 4.170 . 4.170 3.083 2.953 3.254 . 0 0 "[ . 1 . 2]" 1
1327 1 87 VAL QG 1 88 ALA MB 3.620 . 3.620 2.992 2.798 3.128 . 0 0 "[ . 1 . 2]" 1
1328 1 87 VAL QG 1 89 THR H 4.250 . 4.250 4.117 3.992 4.211 . 0 0 "[ . 1 . 2]" 1
1329 1 87 VAL QG 1 90 MET QG 4.140 . 4.140 3.076 2.540 3.904 . 0 0 "[ . 1 . 2]" 1
1330 1 90 MET QB 1 91 THR H 4.080 . 4.080 2.051 1.914 2.250 . 0 0 "[ . 1 . 2]" 1
1331 1 90 MET QG 1 127 LEU HG 4.600 . 4.600 3.131 2.755 3.423 . 0 0 "[ . 1 . 2]" 1
1332 1 91 THR HB 1 92 LEU QB 4.700 . 4.700 3.772 3.586 3.906 . 0 0 "[ . 1 . 2]" 1
1333 1 92 LEU H 1 92 LEU QB 3.130 . 3.130 2.199 2.112 2.248 . 0 0 "[ . 1 . 2]" 1
1334 1 92 LEU H 1 130 VAL QG 4.700 . 4.700 4.652 3.077 7.222 2.522 15 6 "[* * . - 1* +* 2]" 1
1335 1 92 LEU HA 1 127 LEU QB 4.780 . 4.780 2.823 2.277 3.282 . 0 0 "[ . 1 . 2]" 1
1336 1 92 LEU QD 1 93 GLY HA2 4.620 . 4.620 3.002 2.881 3.147 . 0 0 "[ . 1 . 2]" 1
1337 1 92 LEU QD 1 93 GLY HA3 4.430 . 4.430 2.676 2.423 2.940 . 0 0 "[ . 1 . 2]" 1
1338 1 92 LEU QD 1 94 GLU H 4.490 . 4.490 4.179 3.750 4.494 0.004 7 0 "[ . 1 . 2]" 1
1339 1 92 LEU QD 1 129 ALA MB 3.900 . 3.900 3.014 2.501 3.567 . 0 0 "[ . 1 . 2]" 1
1340 1 92 LEU QD 1 130 VAL HB 2.970 . 2.970 3.723 2.968 4.613 1.643 3 13 "[* +*.****1 * -* ***]" 1
1341 1 93 GLY H 1 127 LEU QB 3.990 . 3.990 3.024 2.543 3.551 . 0 0 "[ . 1 . 2]" 1
1342 1 95 LYS HA 1 95 LYS QG 3.740 . 3.740 2.550 2.410 3.344 . 0 0 "[ . 1 . 2]" 1
1343 1 95 LYS QB 1 128 LEU QD 5.440 . 5.440 4.667 4.268 5.656 0.216 9 0 "[ . 1 . 2]" 1
1344 1 95 LYS QE 1 95 LYS QG 3.320 . 3.320 2.513 2.281 2.754 . 0 0 "[ . 1 . 2]" 1
1345 1 95 LYS QG 1 96 ALA H 3.670 . 3.670 2.779 2.327 3.698 0.028 1 0 "[ . 1 . 2]" 1
1346 1 95 LYS QG 1 124 GLU QB 4.440 . 4.440 3.439 2.805 4.443 0.003 19 0 "[ . 1 . 2]" 1
1347 1 95 LYS QG 1 125 VAL H 5.040 . 5.040 4.237 3.506 5.723 0.683 1 1 "[+ . 1 . 2]" 1
1348 1 95 LYS QG 1 126 GLU HA 5.040 . 5.040 3.383 2.638 4.511 . 0 0 "[ . 1 . 2]" 1
1349 1 97 LEU H 1 97 LEU QD 3.750 . 3.750 3.712 3.674 3.783 0.033 14 0 "[ . 1 . 2]" 1
1350 1 97 LEU HA 1 97 LEU QD 3.790 . 3.790 3.061 2.134 3.143 . 0 0 "[ . 1 . 2]" 1
1351 1 97 LEU QB 1 97 LEU QD 2.670 . 2.670 1.910 1.896 1.946 . 0 0 "[ . 1 . 2]" 1
1352 1 97 LEU QB 1 98 PHE H 3.930 . 3.930 3.926 3.833 3.969 0.039 5 0 "[ . 1 . 2]" 1
1353 1 97 LEU QD 1 98 PHE QD 5.000 . 5.000 5.221 4.606 5.917 0.917 14 1 "[ . 1 +. 2]" 1
1354 1 97 LEU QD 1 99 THR H 5.440 . 5.440 3.612 3.256 4.916 . 0 0 "[ . 1 . 2]" 1
1355 1 97 LEU QD 1 123 PHE HA 4.210 . 4.210 5.329 4.389 5.645 1.435 4 19 "[***+*-******* ******]" 1
1356 1 97 LEU QD 1 124 GLU H 4.600 . 4.600 4.845 3.605 5.144 0.544 2 2 "[ + . 1 .- 2]" 1
1357 1 97 LEU QD 1 124 GLU HA 4.760 . 4.760 4.168 3.071 4.452 . 0 0 "[ . 1 . 2]" 1
1358 1 97 LEU QD 1 124 GLU QB 3.330 . 3.330 4.265 3.495 4.864 1.534 2 16 "[*+***** **** -*** *]" 1
1359 1 97 LEU QD 1 124 GLU QG 3.340 . 3.340 2.877 2.012 4.111 0.771 9 3 "[ . -+1 . *2]" 1
1360 1 98 PHE H 1 98 PHE QB 3.350 . 3.350 2.468 2.381 2.575 . 0 0 "[ . 1 . 2]" 1
1361 1 98 PHE H 1 122 VAL QG 4.000 . 4.000 3.423 2.962 3.857 . 0 0 "[ . 1 . 2]" 1
1362 1 98 PHE QB 1 99 THR H 4.100 . 4.100 3.787 3.633 3.903 . 0 0 "[ . 1 . 2]" 1
1363 1 98 PHE QB 1 100 ILE H 5.340 . 5.340 4.984 4.656 5.542 0.202 19 0 "[ . 1 . 2]" 1
1364 1 98 PHE QB 1 100 ILE MD 3.510 . 3.510 3.170 2.616 3.772 0.262 4 0 "[ . 1 . 2]" 1
1365 1 98 PHE QB 1 123 PHE H 4.490 . 4.490 3.854 3.430 4.226 . 0 0 "[ . 1 . 2]" 1
1366 1 99 THR HB 1 122 VAL QG 4.400 . 4.400 3.983 3.597 4.712 0.312 17 0 "[ . 1 . 2]" 1
1367 1 100 ILE H 1 122 VAL QG 4.150 . 4.150 3.522 3.158 4.092 . 0 0 "[ . 1 . 2]" 1
1368 1 100 ILE HB 1 121 LEU QB 3.980 . 3.980 3.249 2.620 3.624 . 0 0 "[ . 1 . 2]" 1
1369 1 102 TYR H 1 103 GLN QB 5.250 . 5.250 4.903 4.729 5.073 . 0 0 "[ . 1 . 2]" 1
1370 1 102 TYR HB2 1 108 GLU QG 4.040 . 4.040 3.868 3.150 4.470 0.430 11 0 "[ . 1 . 2]" 1
1371 1 102 TYR QE 1 118 LYS QB 4.630 . 4.630 3.966 3.351 4.732 0.102 9 0 "[ . 1 . 2]" 1
1372 1 102 TYR QE 1 118 LYS QD 4.110 . 4.110 4.066 3.045 5.359 1.249 9 5 "[ * . +* - * 2]" 1
1373 1 103 GLN H 1 103 GLN QB 3.000 . 3.000 2.512 2.331 2.684 . 0 0 "[ . 1 . 2]" 1
1374 1 103 GLN H 1 103 GLN QG 3.090 . 3.090 2.130 1.900 2.573 . 0 0 "[ . 1 . 2]" 1
1375 1 103 GLN HA 1 103 GLN QG 3.430 . 3.430 3.076 2.381 3.360 . 0 0 "[ . 1 . 2]" 1
1376 1 103 GLN QB 1 104 LEU H 3.940 . 3.940 3.468 2.683 3.850 . 0 0 "[ . 1 . 2]" 1
1377 1 103 GLN QG 1 104 LEU H 3.890 . 3.890 3.115 2.419 4.459 0.569 11 2 "[ . 1+ . -2]" 1
1378 1 106 TYR QE 1 121 LEU QD 4.340 . 4.340 4.512 3.405 5.914 1.574 4 6 "[ * +. * * * . - 2]" 1
1379 1 108 GLU HA 1 108 GLU QG 3.660 . 3.660 2.552 2.400 3.363 . 0 0 "[ . 1 . 2]" 1
1380 1 108 GLU HA 1 118 LYS QB 4.680 . 4.680 4.134 3.441 4.803 0.123 13 0 "[ . 1 . 2]" 1
1381 1 108 GLU QG 1 118 LYS QB 4.660 . 4.660 4.793 3.692 6.596 1.936 7 8 "[ * .*+ 1* **.* - 2]" 1
1382 1 109 ARG H 1 109 ARG QG 4.860 . 4.860 3.400 1.787 4.182 0.013 17 0 "[ . 1 . 2]" 1
1383 1 109 ARG HA 1 109 ARG QG 3.170 . 3.170 2.749 2.246 3.350 0.180 17 0 "[ . 1 . 2]" 1
1384 1 109 ARG HA 1 109 ARG QD 4.690 . 4.690 3.421 1.872 4.431 . 0 0 "[ . 1 . 2]" 1
1385 1 109 ARG HA 1 117 PRO QB 4.440 . 4.440 3.515 2.491 4.630 0.190 17 0 "[ . 1 . 2]" 1
1386 1 109 ARG QB 1 109 ARG QD 3.270 . 3.270 2.384 2.123 2.908 . 0 0 "[ . 1 . 2]" 1
1387 1 109 ARG QB 1 110 GLY H 3.540 . 3.540 2.780 2.297 3.796 0.256 17 0 "[ . 1 . 2]" 1
1388 1 109 ARG QG 1 110 GLY H 4.480 . 4.480 3.696 2.050 4.425 . 0 0 "[ . 1 . 2]" 1
1389 1 114 VAL H 1 114 VAL QG 3.440 . 3.440 1.982 1.871 2.201 . 0 0 "[ . 1 . 2]" 1
1390 1 114 VAL HA 1 114 VAL QG 2.650 . 2.650 2.204 2.141 2.325 . 0 0 "[ . 1 . 2]" 1
1391 1 114 VAL QG 1 115 ILE H 4.020 . 4.020 3.060 2.396 3.478 . 0 0 "[ . 1 . 2]" 1
1392 1 114 VAL QG 1 115 ILE MD 3.590 . 3.590 2.756 2.604 3.095 . 0 0 "[ . 1 . 2]" 1
1393 1 115 ILE MD 1 121 LEU QD 3.400 . 3.400 2.514 2.058 3.027 . 0 0 "[ . 1 . 2]" 1
1394 1 117 PRO QB 1 118 LYS H 3.840 . 3.840 3.076 2.863 3.351 . 0 0 "[ . 1 . 2]" 1
1395 1 117 PRO QB 1 118 LYS QG 4.430 . 4.430 3.000 2.492 3.610 . 0 0 "[ . 1 . 2]" 1
1396 1 118 LYS HA 1 118 LYS QD 4.490 . 4.490 4.055 3.889 4.205 . 0 0 "[ . 1 . 2]" 1
1397 1 118 LYS QB 1 118 LYS QE 4.420 . 4.420 2.598 1.867 3.659 . 0 0 "[ . 1 . 2]" 1
1398 1 120 THR H 1 121 LEU QD 5.440 . 5.440 4.975 3.444 5.394 . 0 0 "[ . 1 . 2]" 1
1399 1 121 LEU H 1 121 LEU QB 3.600 . 3.600 2.543 2.276 2.657 . 0 0 "[ . 1 . 2]" 1
1400 1 121 LEU H 1 121 LEU QD 4.440 . 4.440 3.657 2.479 3.822 . 0 0 "[ . 1 . 2]" 1
1401 1 121 LEU QB 1 122 VAL H 3.860 . 3.860 3.351 2.413 3.594 . 0 0 "[ . 1 . 2]" 1
1402 1 121 LEU QD 1 122 VAL H 3.970 . 3.970 1.853 1.624 3.233 0.176 15 0 "[ . 1 . 2]" 1
1403 1 121 LEU QD 1 123 PHE QD 3.450 . 3.450 3.286 2.880 4.634 1.184 17 2 "[ . 1 . + -2]" 1
1404 1 122 VAL H 1 122 VAL QG 3.250 . 3.250 2.501 2.357 2.867 . 0 0 "[ . 1 . 2]" 1
1405 1 122 VAL HA 1 122 VAL QG 2.980 . 2.980 2.146 2.134 2.158 . 0 0 "[ . 1 . 2]" 1
1406 1 122 VAL QG 1 123 PHE H 3.100 . 3.100 2.622 2.309 2.996 . 0 0 "[ . 1 . 2]" 1
1407 1 122 VAL QG 1 123 PHE HA 4.440 . 4.440 3.521 3.347 3.793 . 0 0 "[ . 1 . 2]" 1
1408 1 122 VAL QG 1 124 GLU H 5.260 . 5.260 3.823 3.629 4.195 . 0 0 "[ . 1 . 2]" 1
1409 1 126 GLU H 1 126 GLU QB 3.220 . 3.220 2.613 2.519 2.710 . 0 0 "[ . 1 . 2]" 1
1410 1 126 GLU HA 1 128 LEU QD 4.520 . 4.520 4.211 3.957 5.980 1.460 9 1 "[ . +1 . 2]" 1
1411 1 126 GLU QB 1 128 LEU QD 3.830 . 3.830 2.861 2.475 4.337 0.507 9 1 "[ . +1 . 2]" 1
1412 1 126 GLU QG 1 128 LEU QD . . 3.470 2.078 1.863 3.264 . 0 0 "[ . 1 . 2]" 1
1413 1 128 LEU H 1 128 LEU QB 3.560 . 3.560 2.344 2.244 2.418 . 0 0 "[ . 1 . 2]" 1
1414 1 128 LEU H 1 128 LEU QD 3.880 . 3.880 2.250 2.043 3.672 . 0 0 "[ . 1 . 2]" 1
1415 1 128 LEU HA 1 128 LEU QD 2.970 . 2.970 1.918 1.878 1.953 . 0 0 "[ . 1 . 2]" 1
1416 1 128 LEU QB 1 129 ALA H 3.580 . 3.580 2.522 2.378 2.682 . 0 0 "[ . 1 . 2]" 1
1417 1 130 VAL H 1 130 VAL QG 2.920 . 2.920 2.271 1.917 2.676 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 76
_Distance_constraint_stats_list.Viol_count 386
_Distance_constraint_stats_list.Viol_total 56.732
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0073
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 27 GLU 0.033 0.009 5 0 "[ . 1 . 2]"
1 29 LYS 0.037 0.007 1 0 "[ . 1 . 2]"
1 31 LEU 0.049 0.009 13 0 "[ . 1 . 2]"
1 32 THR 0.073 0.017 1 0 "[ . 1 . 2]"
1 35 ASP 0.077 0.012 14 0 "[ . 1 . 2]"
1 44 LYS 0.011 0.006 18 0 "[ . 1 . 2]"
1 46 VAL 0.257 0.025 11 0 "[ . 1 . 2]"
1 47 THR 0.390 0.025 1 0 "[ . 1 . 2]"
1 48 VAL 0.065 0.013 19 0 "[ . 1 . 2]"
1 49 HIS 0.137 0.020 1 0 "[ . 1 . 2]"
1 51 ASP 0.238 0.019 7 0 "[ . 1 . 2]"
1 53 ARG 0.306 0.024 15 0 "[ . 1 . 2]"
1 70 PHE 0.065 0.013 19 0 "[ . 1 . 2]"
1 72 PHE 0.257 0.025 11 0 "[ . 1 . 2]"
1 74 LEU 0.011 0.006 18 0 "[ . 1 . 2]"
1 80 ILE 0.096 0.012 16 0 "[ . 1 . 2]"
1 81 LYS 0.015 0.006 2 0 "[ . 1 . 2]"
1 82 GLY 0.163 0.014 3 0 "[ . 1 . 2]"
1 83 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASP 0.235 0.016 4 0 "[ . 1 . 2]"
1 85 GLN 0.178 0.017 16 0 "[ . 1 . 2]"
1 86 GLY 0.163 0.014 3 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.139 0.016 4 0 "[ . 1 . 2]"
1 89 THR 0.163 0.017 16 0 "[ . 1 . 2]"
1 92 LEU 0.077 0.012 14 0 "[ . 1 . 2]"
1 94 GLU 0.046 0.011 6 0 "[ . 1 . 2]"
1 95 LYS 0.122 0.017 1 0 "[ . 1 . 2]"
1 96 ALA 0.009 0.003 3 0 "[ . 1 . 2]"
1 97 LEU 0.037 0.007 1 0 "[ . 1 . 2]"
1 98 PHE 0.074 0.010 15 0 "[ . 1 . 2]"
1 99 THR 0.033 0.009 5 0 "[ . 1 . 2]"
1 100 ILE 0.252 0.018 6 0 "[ . 1 . 2]"
1 101 PRO 0.031 0.007 14 0 "[ . 1 . 2]"
1 104 LEU 0.031 0.007 14 0 "[ . 1 . 2]"
1 107 GLY 0.085 0.011 15 0 "[ . 1 . 2]"
1 108 GLU 0.079 0.008 2 0 "[ . 1 . 2]"
1 112 PRO 0.013 0.008 12 0 "[ . 1 . 2]"
1 115 ILE 0.013 0.008 12 0 "[ . 1 . 2]"
1 118 LYS 0.079 0.008 2 0 "[ . 1 . 2]"
1 119 ALA 0.085 0.011 15 0 "[ . 1 . 2]"
1 121 LEU 0.252 0.018 6 0 "[ . 1 . 2]"
1 122 VAL 0.306 0.024 15 0 "[ . 1 . 2]"
1 123 PHE 0.074 0.010 15 0 "[ . 1 . 2]"
1 124 GLU 0.238 0.019 7 0 "[ . 1 . 2]"
1 125 VAL 0.009 0.003 3 0 "[ . 1 . 2]"
1 126 GLU 0.137 0.020 1 0 "[ . 1 . 2]"
1 127 LEU 0.046 0.011 6 0 "[ . 1 . 2]"
1 128 LEU 0.130 0.014 10 0 "[ . 1 . 2]"
1 129 ALA 0.259 0.025 1 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 80 ILE O 1 84 ASP H 2.000 . 2.000 1.987 1.839 2.012 0.012 16 0 "[ . 1 . 2]" 2
2 1 80 ILE O 1 84 ASP N 3.000 2.700 3.000 2.957 2.791 2.990 . 0 0 "[ . 1 . 2]" 2
3 1 81 LYS O 1 85 GLN H 2.000 . 2.000 1.938 1.822 2.006 0.006 2 0 "[ . 1 . 2]" 2
4 1 81 LYS O 1 85 GLN N 3.000 2.700 3.000 2.891 2.732 2.971 . 0 0 "[ . 1 . 2]" 2
5 1 82 GLY O 1 86 GLY H 2.000 . 2.000 2.008 2.000 2.014 0.014 3 0 "[ . 1 . 2]" 2
6 1 82 GLY O 1 86 GLY N 3.000 2.700 3.000 2.906 2.824 2.968 . 0 0 "[ . 1 . 2]" 2
7 1 83 TRP O 1 87 VAL H 2.000 . 2.000 1.899 1.830 1.991 . 0 0 "[ . 1 . 2]" 2
8 1 83 TRP O 1 87 VAL N 3.000 2.700 3.000 2.864 2.789 2.956 . 0 0 "[ . 1 . 2]" 2
9 1 84 ASP O 1 88 ALA H 2.000 . 2.000 2.007 2.000 2.016 0.016 4 0 "[ . 1 . 2]" 2
10 1 84 ASP O 1 88 ALA N 3.000 2.700 3.000 2.867 2.839 2.911 . 0 0 "[ . 1 . 2]" 2
11 1 85 GLN O 1 89 THR H 2.000 . 2.000 2.008 1.997 2.017 0.017 16 0 "[ . 1 . 2]" 2
12 1 85 GLN O 1 89 THR N 3.000 2.700 3.000 2.809 2.707 2.877 . 0 0 "[ . 1 . 2]" 2
13 1 53 ARG O 1 122 VAL H 2.000 . 2.000 2.014 2.004 2.024 0.024 15 0 "[ . 1 . 2]" 2
14 1 53 ARG O 1 122 VAL N 3.000 2.700 3.000 2.837 2.791 2.913 . 0 0 "[ . 1 . 2]" 2
15 1 53 ARG H 1 122 VAL O 2.000 . 2.000 1.863 1.798 1.990 0.002 17 0 "[ . 1 . 2]" 2
16 1 53 ARG N 1 122 VAL O 3.000 2.700 3.000 2.719 2.693 2.826 0.007 3 0 "[ . 1 . 2]" 2
17 1 51 ASP O 1 124 GLU H 2.000 . 2.000 1.942 1.863 2.003 0.003 12 0 "[ . 1 . 2]" 2
18 1 51 ASP O 1 124 GLU N 3.000 2.700 3.000 2.822 2.722 2.921 . 0 0 "[ . 1 . 2]" 2
19 1 51 ASP H 1 124 GLU O 2.000 . 2.000 2.012 2.004 2.019 0.019 7 0 "[ . 1 . 2]" 2
20 1 51 ASP N 1 124 GLU O 3.000 2.700 3.000 2.818 2.734 2.910 . 0 0 "[ . 1 . 2]" 2
21 1 49 HIS O 1 126 GLU H 2.000 . 2.000 1.982 1.858 2.006 0.006 13 0 "[ . 1 . 2]" 2
22 1 49 HIS O 1 126 GLU N 3.000 2.700 3.000 2.764 2.694 2.909 0.006 10 0 "[ . 1 . 2]" 2
23 1 49 HIS H 1 126 GLU O 2.000 . 2.000 1.940 1.866 2.008 0.008 1 0 "[ . 1 . 2]" 2
24 1 49 HIS N 1 126 GLU O 3.000 2.700 3.000 2.713 2.680 2.789 0.020 1 0 "[ . 1 . 2]" 2
25 1 48 VAL O 1 70 PHE H 2.000 . 2.000 1.873 1.791 2.011 0.011 13 0 "[ . 1 . 2]" 2
26 1 48 VAL O 1 70 PHE N 3.000 2.700 3.000 2.778 2.696 2.976 0.004 19 0 "[ . 1 . 2]" 2
27 1 48 VAL H 1 70 PHE O 2.000 . 2.000 1.841 1.793 1.918 0.007 5 0 "[ . 1 . 2]" 2
28 1 48 VAL N 1 70 PHE O 3.000 2.700 3.000 2.754 2.687 2.853 0.013 19 0 "[ . 1 . 2]" 2
29 1 46 VAL O 1 72 PHE H 2.000 . 2.000 2.013 2.006 2.025 0.025 11 0 "[ . 1 . 2]" 2
30 1 46 VAL O 1 72 PHE N 3.000 2.700 3.000 2.948 2.918 2.960 . 0 0 "[ . 1 . 2]" 2
31 1 46 VAL H 1 72 PHE O 2.000 . 2.000 1.861 1.798 1.916 0.002 15 0 "[ . 1 . 2]" 2
32 1 46 VAL N 1 72 PHE O 3.000 2.700 3.000 2.802 2.701 2.861 . 0 0 "[ . 1 . 2]" 2
33 1 98 PHE O 1 123 PHE H 2.000 . 2.000 1.939 1.845 2.003 0.003 15 0 "[ . 1 . 2]" 2
34 1 98 PHE O 1 123 PHE N 3.000 2.700 3.000 2.881 2.774 2.977 . 0 0 "[ . 1 . 2]" 2
35 1 98 PHE H 1 123 PHE O 2.000 . 2.000 1.995 1.909 2.010 0.010 15 0 "[ . 1 . 2]" 2
36 1 98 PHE N 1 123 PHE O 3.000 2.700 3.000 2.931 2.862 2.968 . 0 0 "[ . 1 . 2]" 2
37 1 100 ILE H 1 121 LEU O 2.000 . 2.000 1.931 1.846 2.004 0.004 9 0 "[ . 1 . 2]" 2
38 1 100 ILE N 1 121 LEU O 3.000 2.700 3.000 2.752 2.690 2.850 0.010 8 0 "[ . 1 . 2]" 2
39 1 100 ILE O 1 121 LEU H 2.000 . 2.000 2.011 2.003 2.018 0.018 6 0 "[ . 1 . 2]" 2
40 1 100 ILE O 1 121 LEU N 3.000 2.700 3.000 2.944 2.871 2.995 . 0 0 "[ . 1 . 2]" 2
41 1 96 ALA O 1 125 VAL H 2.000 . 2.000 1.954 1.872 2.003 0.003 3 0 "[ . 1 . 2]" 2
42 1 96 ALA O 1 125 VAL N 3.000 2.700 3.000 2.823 2.702 2.922 . 0 0 "[ . 1 . 2]" 2
43 1 96 ALA H 1 125 VAL O 2.000 . 2.000 1.885 1.825 2.001 0.001 8 0 "[ . 1 . 2]" 2
44 1 96 ALA N 1 125 VAL O 3.000 2.700 3.000 2.838 2.749 2.950 . 0 0 "[ . 1 . 2]" 2
45 1 35 ASP H 1 92 LEU O 2.000 . 2.000 1.975 1.862 2.012 0.012 14 0 "[ . 1 . 2]" 2
46 1 35 ASP N 1 92 LEU O 3.000 2.700 3.000 2.916 2.727 2.982 . 0 0 "[ . 1 . 2]" 2
47 1 47 THR H 1 129 ALA O 2.000 . 2.000 1.865 1.813 1.988 . 0 0 "[ . 1 . 2]" 2
48 1 47 THR N 1 129 ALA O 3.000 2.700 3.000 2.769 2.698 2.888 0.002 11 0 "[ . 1 . 2]" 2
49 1 44 LYS O 1 74 LEU H 2.000 . 2.000 1.941 1.847 2.006 0.006 18 0 "[ . 1 . 2]" 2
50 1 44 LYS O 1 74 LEU N 3.000 2.700 3.000 2.843 2.719 2.949 . 0 0 "[ . 1 . 2]" 2
51 1 32 THR O 1 95 LYS H 2.000 . 2.000 1.932 1.861 2.005 0.005 8 0 "[ . 1 . 2]" 2
52 1 32 THR O 1 95 LYS N 3.000 2.700 3.000 2.884 2.806 2.979 . 0 0 "[ . 1 . 2]" 2
53 1 29 LYS O 1 97 LEU H 2.000 . 2.000 1.832 1.794 1.991 0.006 1 0 "[ . 1 . 2]" 2
54 1 29 LYS O 1 97 LEU N 3.000 2.700 3.000 2.773 2.697 2.928 0.003 7 0 "[ . 1 . 2]" 2
55 1 94 GLU O 1 127 LEU H 2.000 . 2.000 1.975 1.912 2.011 0.011 6 0 "[ . 1 . 2]" 2
56 1 94 GLU O 1 127 LEU N 3.000 2.700 3.000 2.903 2.790 2.966 . 0 0 "[ . 1 . 2]" 2
57 1 47 THR O 1 129 ALA H 2.000 . 2.000 2.011 1.984 2.025 0.025 1 0 "[ . 1 . 2]" 2
58 1 47 THR O 1 129 ALA N 3.000 2.700 3.000 2.979 2.934 3.010 0.010 1 0 "[ . 1 . 2]" 2
59 1 108 GLU O 1 118 LYS H 2.000 . 2.000 1.999 1.941 2.008 0.008 2 0 "[ . 1 . 2]" 2
60 1 108 GLU O 1 118 LYS N 3.000 2.700 3.000 2.826 2.696 2.938 0.004 12 0 "[ . 1 . 2]" 2
61 1 107 GLY O 1 119 ALA H 2.000 . 2.000 2.003 1.982 2.011 0.011 15 0 "[ . 1 . 2]" 2
62 1 107 GLY O 1 119 ALA N 3.000 2.700 3.000 2.873 2.780 2.952 . 0 0 "[ . 1 . 2]" 2
63 1 29 LYS H 1 97 LEU O 2.000 . 2.000 1.943 1.842 2.007 0.007 1 0 "[ . 1 . 2]" 2
64 1 29 LYS N 1 97 LEU O 3.000 2.700 3.000 2.896 2.776 2.962 . 0 0 "[ . 1 . 2]" 2
65 1 31 LEU H 1 95 LYS O 2.000 . 2.000 1.988 1.875 2.009 0.009 13 0 "[ . 1 . 2]" 2
66 1 31 LEU N 1 95 LYS O 3.000 2.700 3.000 2.792 2.698 2.894 0.002 10 0 "[ . 1 . 2]" 2
67 1 32 THR H 1 95 LYS O 2.000 . 2.000 1.969 1.861 2.017 0.017 1 0 "[ . 1 . 2]" 2
68 1 32 THR N 1 95 LYS O 3.000 2.700 3.000 2.894 2.751 3.003 0.003 1 0 "[ . 1 . 2]" 2
69 1 27 GLU O 1 99 THR H 2.000 . 2.000 1.965 1.853 2.009 0.009 5 0 "[ . 1 . 2]" 2
70 1 27 GLU O 1 99 THR N 3.000 2.700 3.000 2.897 2.784 2.966 . 0 0 "[ . 1 . 2]" 2
71 1 47 THR O 1 128 LEU H 2.000 . 2.000 1.993 1.844 2.014 0.014 10 0 "[ . 1 . 2]" 2
72 1 47 THR O 1 128 LEU N 3.000 2.700 3.000 2.812 2.699 2.862 0.001 5 0 "[ . 1 . 2]" 2
73 1 112 PRO O 1 115 ILE H 2.000 . 2.000 1.934 1.853 2.008 0.008 12 0 "[ . 1 . 2]" 2
74 1 112 PRO O 1 115 ILE N 3.000 2.700 3.000 2.798 2.698 2.870 0.002 2 0 "[ . 1 . 2]" 2
75 1 101 PRO O 1 104 LEU H 2.000 . 2.000 1.979 1.865 2.007 0.007 14 0 "[ . 1 . 2]" 2
76 1 101 PRO O 1 104 LEU N 3.000 2.700 3.000 2.884 2.796 2.940 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 11:32:31 PM GMT (wattos1)