NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655677 |
7aty   |
34570 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_7aty
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 825
_Distance_constraint_stats_list.Viol_count 3267
_Distance_constraint_stats_list.Viol_total 34512.262
_Distance_constraint_stats_list.Viol_max 2.901
_Distance_constraint_stats_list.Viol_rms 0.1743
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0465
_Distance_constraint_stats_list.Viol_average_violations_only 0.3521
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 1.106 0.603 9 1 "[ . +1 . 2 . 3]"
1 3 HIS 15.193 1.000 15 14 "[* * . * * *-*+ * 2 * *.*** 3]"
1 4 MET 17.119 1.396 9 17 "[* **. * +* ***- ** 2 *.****3]"
1 5 LEU 49.825 1.787 24 16 "[ *** ***1 **.** *2 *-+. * *]"
1 6 GLN 76.733 2.521 27 29 [*********1*****-**********+***]
1 7 VAL 53.935 2.056 7 11 "[ - . +**1 ** .* 2 * * * *]"
1 8 ARG 84.329 1.941 30 29 "[**************** ***********-+]"
1 9 ALA 74.950 1.325 25 27 "[****.* * ***************+*-***]"
1 10 THR 41.080 0.743 27 30 [*********************-****+***]
1 11 LYS 156.457 2.677 4 30 [***+*****************-********]
1 12 ASP 70.768 2.677 4 29 [***+*-***********************3]
1 13 TYR 182.696 2.676 22 29 "[*********************+*-* ****]"
1 14 CYS 35.912 2.887 24 7 "[* . 1 . * *2 * +* *]"
1 15 ASN 42.034 2.087 30 12 "[** .* 1 .** -2** *. **+]"
1 16 ASN 18.328 1.363 26 16 "[ ** * * -1** *** * ** **+ 3]"
1 17 TYR 25.103 1.363 26 21 "[ ** * ***1** *****-*** **+ *]"
1 18 ASP 26.522 1.363 26 21 "[ ** * ***1** *****-*** **+ *]"
1 19 LEU 5.365 2.130 22 3 "[ . 1- . 2 + * 3]"
1 20 THR 22.664 2.901 22 8 "[* . * 1 . * *2 + ** -]"
1 21 SER 26.789 2.676 22 10 "[ . * 1* . ***2 + -* * *]"
1 22 LEU 73.484 1.850 30 29 [****.****-*******************+]
1 23 ASN 48.959 1.637 15 14 "[****. * 1 * + *2 * ** ** -]"
1 24 VAL 84.866 1.817 13 29 "[*********-**+*** *************]"
1 25 LYS 192.288 1.847 19 30 [******************+****-******]
1 26 ALA 71.432 2.677 4 26 "[***+** -*1****.****** ********]"
1 27 GLY 29.188 1.723 19 10 "[ ** 1 . *+2 **** *-]"
1 28 ASP 63.321 1.847 19 29 [*********1********+*******-***]
1 29 ILE 75.158 1.654 5 30 [****+***-*********************]
1 30 ILE 102.393 0.743 27 29 [****.***-*****************+***]
1 31 THR 25.365 0.890 16 2 "[ . 1 - .+ 2 . 3]"
1 32 VAL 33.075 1.234 2 29 "[*+**********-********* *******]"
1 33 LEU 23.434 0.978 30 7 "[ . *1 - ***2* . +]"
1 34 GLU 21.644 1.396 9 9 "[* . -+1 ** * * *.* 3]"
1 35 GLN 16.229 1.577 29 5 "[ . * ** * . +3]"
1 36 HIS 27.670 1.959 15 19 "[** **** *** +* ** * *. **-*]"
1 37 PRO 0.368 0.356 12 0 "[ . 1 . 2 . 3]"
1 38 ASP 14.518 1.959 15 9 "[ .*- 1* + * 2 ** ** 3]"
1 39 GLY 9.678 0.861 28 7 "[ .*** 1* -. 2 *. + 3]"
1 40 ARG 64.973 1.839 15 28 "[******-*******+** ********** *]"
1 41 TRP 110.332 1.941 30 29 "[*************-*** ***********+]"
1 42 LYS 21.386 0.843 24 13 "[* * . ***1 ** - * ** +.* 3]"
1 43 GLY 19.947 0.667 17 11 "[* * . ***1 *- * + 2* .* 3]"
1 44 CYS 24.016 0.890 16 3 "[ . 1 * .+ 2 . -]"
1 45 ILE 84.965 0.748 30 20 "[****.* * * * -****2 ****** +]"
1 46 HIS 15.171 0.748 30 7 "[ *.- * . 2 * ** +]"
1 47 ASP 11.354 1.192 14 7 "[ .*** 1** +. 2 * . 3]"
1 48 ASN 34.291 1.497 19 23 "[** ******-***.* +******* * *]"
1 49 ARG 10.194 0.904 24 3 "[ . 1 . * +.- 3]"
1 50 THR 34.061 1.612 9 16 "[ ** .***+*** -* ***2 * . *]"
1 51 GLY 9.157 1.340 6 7 "[ * .+** 1* -. * 2 . 3]"
1 52 ASN 32.345 1.612 9 19 "[ ** ****+*** -* **** * . **]"
1 53 ASP 41.433 1.637 15 18 "[* **. * *** *+ **2 * *****-]"
1 54 ARG 49.653 1.637 15 28 "[****.****-****+* *************]"
1 55 VAL 24.278 1.285 24 10 "[ **. **1 * -* *2 +. * 3]"
1 56 GLY 22.113 2.901 22 10 "[ *. * 1 .** -2 + ** * *]"
1 57 TYR 8.086 2.130 22 4 "[ . - 1* . 2 + * 3]"
1 58 PHE 9.479 0.672 18 2 "[ . 1 . + 2 - 3]"
1 60 SER 1.325 0.471 19 0 "[ . 1 . 2 . 3]"
1 61 SER 19.576 1.234 2 12 "[ + . * - ** * ** * .** *3]"
1 62 LEU 51.272 1.252 14 28 "[****.****-***+** *************]"
1 63 GLY 34.547 2.056 7 8 "[ .*+**1 *.* 2 . * -]"
1 64 GLU 16.945 0.742 29 7 "[ . * 1 *- . * *2* . +3]"
1 65 ALA 54.171 1.583 9 30 [********+*************-*******]
1 66 ILE 48.074 1.787 24 24 "[ **-** ******** *** **+*** **]"
1 67 VAL 36.238 2.521 27 5 "[ ** 1 .- 2 *. + 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 3 HIS H 3.219 . 4.514 2.382 2.111 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 SER HA 1 4 MET H 3.606 . 5.231 4.361 3.355 5.834 0.603 9 1 "[ . +1 . 2 . 3]" 1
3 1 2 SER HA 1 34 GLU H 4.357 2.200 6.514 4.638 2.998 6.744 0.230 20 0 "[ . 1 . 2 . 3]" 1
4 1 3 HIS H 1 4 MET H 2.886 . 3.927 2.864 1.857 3.986 0.059 9 0 "[ . 1 . 2 . 3]" 1
5 1 3 HIS H 1 34 GLU QG 2.602 . 3.448 3.363 2.924 3.795 0.347 15 0 "[ . 1 . 2 . 3]" 1
6 1 3 HIS H 1 34 GLU QB 2.624 . 3.485 2.181 1.707 2.833 0.056 5 0 "[ . 1 . 2 . 3]" 1
7 1 3 HIS H 1 34 GLU QB 2.181 . 2.776 2.249 1.727 2.979 0.203 15 0 "[ . 1 . 2 . 3]" 1
8 1 3 HIS H 1 34 GLU QG 2.817 . 3.809 3.685 3.009 4.809 1.000 15 4 "[* . - 1 + 2 * . 3]" 1
9 1 3 HIS QB 1 4 MET H 2.359 . 3.054 2.958 1.968 4.034 0.980 10 11 "[* * . + *-*. * 2 *.*** 3]" 1
10 1 4 MET H 1 4 MET QG 2.674 . 3.568 3.185 2.546 4.546 0.978 10 6 "[ *. * + - * 2 . *3]" 1
11 1 4 MET H 1 33 LEU H 5.327 2.191 8.463 6.077 4.711 7.627 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 4 MET H 1 34 GLU H 3.812 2.024 5.600 2.871 2.130 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 4 MET H 1 34 GLU QB 2.806 2.021 3.790 3.035 1.916 5.186 1.396 9 2 "[ . +1 -. 2 . 3]" 1
14 1 4 MET HA 1 5 LEU H 2.185 . 2.782 1.887 1.796 1.982 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 4 MET HA 1 5 LEU QD 2.234 . 2.858 2.375 1.954 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 MET HG3 1 5 LEU H 3.752 . 5.511 4.664 3.156 5.943 0.432 22 0 "[ . 1 . 2 . 3]" 1
17 1 5 LEU H 1 5 LEU HA 2.133 . 2.702 2.901 2.853 2.942 0.240 8 0 "[ . 1 . 2 . 3]" 1
18 1 5 LEU H 1 5 LEU QB 3.451 . 5.002 3.218 2.993 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 5 LEU H 1 5 LEU QB 2.517 . 3.309 2.433 2.325 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 5 LEU H 1 5 LEU QD 2.359 . 3.055 2.146 1.809 2.425 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 5 LEU H 1 5 LEU QD 2.199 . 2.803 2.069 1.726 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 5 LEU H 1 5 LEU QD 2.140 . 2.712 1.881 1.713 2.020 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 5 LEU H 1 33 LEU H 3.543 . 5.112 4.022 3.927 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 5 LEU H 1 32 VAL QG 4.543 2.603 6.483 2.840 2.539 3.102 0.064 16 0 "[ . 1 . 2 . 3]" 1
25 1 5 LEU HA 1 5 LEU QB 2.225 . 2.844 1.926 1.913 2.006 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 5 LEU HA 1 6 GLN H 2.018 . 2.527 2.297 2.183 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 5 LEU HA 1 31 THR HA 4.896 2.140 7.652 5.666 5.394 6.052 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 5 LEU QB 1 5 LEU QD 1.656 . 1.999 1.760 1.678 1.846 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 5 LEU QB 1 65 ALA MB 1.937 . 2.406 1.961 1.788 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 5 LEU QB 1 6 GLN H 2.182 . 2.777 2.591 2.232 2.838 0.061 1 0 "[ . 1 . 2 . 3]" 1
31 1 5 LEU QB 1 7 VAL H 3.524 . 5.076 4.664 4.526 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 5 LEU QB 1 33 LEU H 3.555 . 5.134 5.307 4.971 6.112 0.978 30 3 "[ . 1 . - *2 . +]" 1
33 1 5 LEU QB 1 66 ILE H 2.857 . 3.877 3.393 2.874 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 5 LEU QB 1 65 ALA H 4.344 . 6.742 5.970 5.332 6.510 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 5 LEU QB 1 65 ALA MB 2.110 . 2.819 2.791 2.149 3.456 0.637 3 2 "[ + . 1 . 2 - . 3]" 1
36 1 5 LEU QB 1 66 ILE HA 2.785 . 3.754 3.359 1.920 5.541 1.787 24 5 "[ *- 1 .* 2 +. * 3]" 1
37 1 5 LEU QD 1 32 VAL H 2.264 . 2.905 2.784 2.572 2.942 0.037 20 0 "[ . 1 . 2 . 3]" 1
38 1 5 LEU QD 1 7 VAL MG1 2.934 . 4.010 2.190 1.892 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 5 LEU QD 1 65 ALA MB 1.757 . 2.143 1.701 1.596 1.821 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 5 LEU QD 1 32 VAL HB 2.807 . 3.792 3.601 3.347 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 5 LEU QD 1 7 VAL MG2 2.697 . 3.606 3.989 3.603 4.191 0.585 9 6 "[ - . **+1 * . 2 * . 3]" 1
42 1 5 LEU QD 1 41 TRP HH2 2.133 . 2.702 2.881 2.085 3.324 0.622 14 3 "[ . *1 +.- 2 . 3]" 1
43 1 5 LEU QD 1 41 TRP HH2 2.534 . 3.336 3.441 2.782 3.958 0.622 23 3 "[ . 1 .* -2 + . 3]" 1
44 1 5 LEU QD 1 32 VAL QG 3.671 . 4.932 2.134 1.801 2.304 0.189 28 0 "[ . 1 . 2 . 3]" 1
45 1 5 LEU QD 1 61 SER H 3.496 . 5.024 4.434 3.684 5.340 0.316 7 0 "[ . 1 . 2 . 3]" 1
46 1 5 LEU QD 1 34 GLU H 3.001 . 4.127 3.726 2.991 4.482 0.355 19 0 "[ . 1 . 2 . 3]" 1
47 1 5 LEU QD 1 41 TRP HH2 3.673 2.041 5.305 3.518 2.801 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 5 LEU QD 1 41 TRP HZ3 2.446 . 3.194 2.458 1.904 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 5 LEU QD 1 65 ALA HA 2.723 . 3.650 3.003 2.742 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 6 GLN H 1 6 GLN HA 2.223 . 2.841 2.932 2.925 2.942 0.101 4 0 "[ . 1 . 2 . 3]" 1
51 1 6 GLN H 1 6 GLN HB2 2.356 . 3.050 2.895 2.727 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 6 GLN H 1 6 GLN HB2 2.458 . 3.213 2.636 2.542 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 6 GLN H 1 6 GLN HB3 2.205 . 2.813 2.521 2.423 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 6 GLN H 1 6 GLN QG 2.950 . 4.038 4.002 3.949 4.062 0.024 4 0 "[ . 1 . 2 . 3]" 1
55 1 6 GLN H 1 7 VAL H 3.524 . 5.076 4.388 4.260 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 6 GLN H 1 65 ALA MB 2.311 . 2.979 3.861 2.949 4.562 1.583 9 28 "[********+1 ****-**************]" 1
57 1 6 GLN H 1 32 VAL H 3.916 . 5.833 4.786 4.684 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 6 GLN H 1 67 VAL HA 2.412 . 3.139 2.466 1.742 4.424 1.285 24 4 "[ *. 1 .* 2 +. - 3]" 1
59 1 6 GLN H 1 65 ALA MB 3.878 2.171 5.585 4.311 3.713 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 6 GLN H 1 67 VAL H 2.728 . 3.658 3.191 2.602 6.179 2.521 27 2 "[ . 1 .- 2 . + 3]" 1
61 1 6 GLN H 1 67 VAL HA 2.472 . 3.236 2.579 1.742 5.507 2.271 24 4 "[ *. 1 .* 2 +. - 3]" 1
62 1 6 GLN HA 1 6 GLN HB2 2.612 . 3.465 2.460 2.407 2.533 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 6 GLN HA 1 6 GLN HB3 2.501 . 3.283 3.022 3.018 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 6 GLN HA 1 6 GLN QG 2.127 . 2.693 2.443 2.339 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 6 GLN HA 1 7 VAL H 2.115 . 2.674 2.144 2.107 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 6 GLN HA 1 29 ILE HA 5.262 . 8.723 6.435 5.997 6.854 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 6 GLN HA 1 30 ILE HA 4.785 . 7.647 5.636 5.452 5.831 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 6 GLN HA 1 31 THR HA 2.132 . 2.700 2.263 2.061 2.399 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 6 GLN HA 1 31 THR MG 3.371 . 4.792 3.418 3.137 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 GLN HA 1 32 VAL H 2.481 . 3.250 2.838 2.483 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 GLN HA 1 32 VAL QG 3.303 . 4.667 3.378 3.085 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 GLN HA 1 65 ALA HA 5.289 . 8.786 5.245 4.907 5.567 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 GLN HB2 1 6 GLN QE 3.942 . 5.885 3.706 2.672 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 GLN HB2 1 6 GLN QG 1.971 . 2.457 2.363 2.290 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 6 GLN HB3 1 66 ILE H 2.346 . 3.034 3.185 1.791 3.528 0.494 11 0 "[ . 1 . 2 . 3]" 1
76 1 6 GLN QE 1 6 GLN QG 3.184 . 4.451 2.192 2.116 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 GLN QE 1 6 GLN HG3 2.882 . 3.420 3.113 2.825 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 6 GLN QE 1 8 ARG QD 3.105 . 4.310 4.491 3.153 6.251 1.941 30 13 "[ * ** * *1* .* ** * . *-+]" 1
79 1 6 GLN QE 1 8 ARG QG 4.419 2.458 6.380 4.253 2.592 6.941 0.561 19 2 "[ . 1 . +2 . -]" 1
80 1 6 GLN QE 1 8 ARG QG 2.945 . 4.029 3.242 2.566 4.500 0.471 19 0 "[ . 1 . 2 . 3]" 1
81 1 6 GLN QE 1 29 ILE QG 3.694 . 5.401 4.122 2.896 5.688 0.287 29 0 "[ . 1 . 2 . 3]" 1
82 1 6 GLN QE 1 29 ILE MG 3.492 2.219 4.765 2.559 1.934 3.886 0.285 7 0 "[ . 1 . 2 . 3]" 1
83 1 6 GLN QE 1 31 THR MG 4.980 . 7.960 5.309 4.158 6.329 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 6 GLN QE 1 66 ILE QG 3.730 . 4.132 3.030 2.160 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 6 GLN QG 1 8 ARG H 2.950 . 4.038 3.976 2.236 4.733 0.695 21 1 "[ . 1 . 2+ . 3]" 1
86 1 6 GLN HG3 1 7 VAL H 2.798 . 3.777 3.116 2.662 3.486 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 VAL H 1 7 VAL HA 2.466 . 3.226 2.943 2.935 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 VAL H 1 7 VAL HB 3.366 . 4.866 3.794 3.747 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 VAL H 1 7 VAL QG 2.387 . 3.099 2.075 2.006 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 7 VAL H 1 30 ILE HG13 2.726 . 3.655 3.705 3.289 4.070 0.415 4 0 "[ . 1 . 2 . 3]" 1
91 1 7 VAL H 1 31 THR HA 2.871 . 3.902 2.766 2.326 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 VAL H 1 32 VAL QG 3.029 . 4.176 3.060 2.970 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 VAL H 1 32 VAL H 2.762 . 3.715 2.960 2.237 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 VAL H 1 62 LEU QB 2.843 . 3.853 3.868 2.645 3.995 0.142 30 0 "[ . 1 . 2 . 3]" 1
95 1 7 VAL H 1 29 ILE MG 3.760 . 5.571 4.210 3.675 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 VAL H 1 30 ILE H 2.689 . 3.593 3.373 3.072 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 VAL H 1 30 ILE MG 4.894 . 7.888 4.164 3.914 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 VAL H 1 30 ILE MG 2.527 . 3.325 3.065 2.797 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 7 VAL H 1 31 THR H 4.578 . 7.198 4.844 4.782 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 7 VAL H 1 32 VAL H 3.667 . 5.348 3.704 3.469 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 7 VAL H 1 32 VAL QG 2.427 . 3.163 2.931 2.663 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 7 VAL HA 1 7 VAL HB 2.287 . 2.941 2.442 2.421 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 7 VAL HA 1 8 ARG H 2.233 . 2.856 2.224 2.183 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 7 VAL HA 1 29 ILE HA 4.767 . 7.607 5.965 5.710 6.231 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 7 VAL HA 1 63 GLY H 2.994 . 4.114 4.134 3.643 4.972 0.858 27 2 "[ . 1 .- 2 . + 3]" 1
106 1 7 VAL HA 1 63 GLY QA 5.130 . 7.821 4.404 4.179 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 7 VAL HA 1 64 GLU HA 3.857 . 5.717 4.860 4.643 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 7 VAL HA 1 65 ALA HA 1.946 . 2.519 2.219 1.926 2.530 0.011 3 0 "[ . 1 . 2 . 3]" 1
109 1 7 VAL HA 1 66 ILE H 2.449 . 3.199 2.712 2.238 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 7 VAL HB 1 7 VAL QG 1.705 . 2.068 1.894 1.890 1.897 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 7 VAL HB 1 7 VAL QG 1.712 . 2.078 1.623 1.622 1.625 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 7 VAL HB 1 8 ARG H 2.226 . 2.845 2.776 2.509 2.972 0.127 8 0 "[ . 1 . 2 . 3]" 1
113 1 7 VAL HB 1 8 ARG H 2.362 . 3.059 2.319 2.230 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 7 VAL HB 1 64 GLU H 3.108 . 4.315 2.979 2.759 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 7 VAL HB 1 9 ALA MB 3.711 . 5.630 4.030 3.668 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 7 VAL HB 1 63 GLY H 2.682 . 3.492 3.216 2.616 5.548 2.056 7 2 "[ . + 1 . 2 . -]" 1
117 1 7 VAL HB 1 63 GLY QA 2.405 . 3.128 2.397 2.138 3.271 0.143 7 0 "[ . 1 . 2 . 3]" 1
118 1 7 VAL HB 1 63 GLY QA 2.287 . 2.941 2.382 2.133 3.193 0.252 7 0 "[ . 1 . 2 . 3]" 1
119 1 7 VAL HB 1 64 GLU H 2.893 . 3.870 3.287 2.854 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 7 VAL QG 1 8 ARG H 2.043 . 2.565 2.972 2.860 3.159 0.594 25 2 "[ . 1 - . 2 + 3]" 1
121 1 7 VAL QG 1 9 ALA H 2.126 . 2.691 2.916 2.771 3.029 0.338 13 0 "[ . 1 . 2 . 3]" 1
122 1 7 VAL QG 1 9 ALA H 2.190 . 2.790 3.103 2.978 3.183 0.393 1 0 "[ . 1 . 2 . 3]" 1
123 1 7 VAL QG 1 32 VAL H 2.131 . 2.698 2.128 1.892 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 7 VAL QG 1 30 ILE MD 1.828 . 2.246 2.165 2.005 2.289 0.043 14 0 "[ . 1 . 2 . 3]" 1
125 1 7 VAL QG 1 32 VAL H 3.607 2.194 5.020 3.441 3.188 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 7 VAL QG 1 65 ALA HA 2.583 . 3.417 1.766 1.674 1.838 0.075 9 0 "[ . 1 . 2 . 3]" 1
127 1 7 VAL QG 1 63 GLY H 2.736 . 3.840 2.698 2.088 4.830 0.990 7 1 "[ . + 1 . 2 . 3]" 1
128 1 7 VAL QG 1 64 GLU H 4.232 2.199 6.265 3.943 3.621 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 7 VAL MG1 1 30 ILE MD 4.247 . 6.878 4.640 4.393 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 7 VAL MG1 1 32 VAL QG 2.208 . 2.817 2.299 2.075 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 7 VAL MG2 1 24 VAL QG 5.397 2.198 8.596 4.513 4.339 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 7 VAL MG2 1 30 ILE MD 3.032 . 4.525 2.359 2.058 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 7 VAL MG2 1 30 ILE MG 2.927 . 4.325 2.808 2.641 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 7 VAL MG2 1 32 VAL QG 1.786 . 2.185 2.103 1.987 2.495 0.310 18 0 "[ . 1 . 2 . 3]" 1
135 1 8 ARG H 1 8 ARG QD 3.543 . 5.112 4.385 3.962 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 8 ARG H 1 8 ARG QG 3.619 . 5.256 2.963 2.539 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 8 ARG H 1 8 ARG QG 3.068 . 4.245 2.739 2.480 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 8 ARG H 1 9 ALA MB 2.188 . 2.786 3.404 2.808 4.111 1.325 25 17 "[****. 1 ***** *-** + * **]" 1
139 1 8 ARG H 1 10 THR H 5.077 . 8.299 6.706 6.365 6.890 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 8 ARG H 1 29 ILE H 5.846 2.210 9.482 8.073 7.821 8.513 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 8 ARG H 1 30 ILE H 4.514 . 7.061 4.922 4.806 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 8 ARG H 1 30 ILE MG 3.442 . 4.923 5.278 5.159 5.396 0.473 27 0 "[ . 1 . 2 . 3]" 1
143 1 8 ARG H 1 63 GLY QA 2.947 . 4.433 3.547 3.234 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 8 ARG H 1 64 GLU H 2.431 . 3.170 2.766 2.556 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 8 ARG H 1 65 ALA H 3.860 . 5.722 4.701 4.564 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 8 ARG H 1 65 ALA HA 3.533 2.131 4.935 3.853 3.439 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 8 ARG H 1 66 ILE H 4.177 . 6.358 3.948 3.371 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 8 ARG HA 1 9 ALA H 2.243 . 2.872 2.155 2.136 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 8 ARG HA 1 27 GLY HA2 4.828 . 7.742 5.575 4.659 6.858 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 8 ARG HA 1 28 ASP HA 4.767 . 7.607 5.577 5.107 6.438 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 8 ARG HA 1 29 ILE HA 2.496 . 3.245 2.909 2.505 3.389 0.144 24 0 "[ . 1 . 2 . 3]" 1
152 1 8 ARG HA 1 30 ILE H 2.941 . 4.022 3.253 3.058 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 8 ARG HA 1 30 ILE HG13 3.929 . 5.899 3.800 3.227 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 8 ARG HA 1 63 GLY QA 4.794 . 7.667 4.332 3.855 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 8 ARG HA 1 65 ALA HA 4.643 . 7.338 6.500 6.166 6.816 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 8 ARG QB 1 10 THR H 2.421 . 3.154 3.809 3.526 3.897 0.743 27 28 "[****.****-****** *********+***]" 1
157 1 8 ARG QB 1 8 ARG QD 3.244 . 4.559 2.288 2.101 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 8 ARG QG 1 9 ALA H 3.927 2.056 5.798 4.063 2.972 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 8 ARG QG 1 29 ILE MD 1.995 . 2.613 2.082 1.860 4.267 1.654 5 1 "[ + 1 . 2 . 3]" 1
160 1 9 ALA H 1 9 ALA HA 2.357 . 3.051 2.942 2.936 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 9 ALA H 1 9 ALA MB 2.001 . 2.502 2.426 2.364 2.552 0.050 20 0 "[ . 1 . 2 . 3]" 1
162 1 9 ALA H 1 9 ALA MB 2.096 . 2.645 2.359 2.305 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 9 ALA H 1 11 LYS H 5.400 . 9.045 5.865 5.528 6.200 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 9 ALA H 1 29 ILE HA 2.539 . 3.345 3.856 3.325 4.552 1.207 24 16 "[ .* * - **** ****+**** 3]" 1
165 1 9 ALA H 1 29 ILE H 3.550 . 5.125 4.770 4.545 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 9 ALA H 1 27 GLY H 4.176 . 6.359 5.118 4.208 7.092 0.733 4 1 "[ +. 1 . 2 . 3]" 1
167 1 9 ALA H 1 28 ASP H 3.317 . 4.692 3.490 3.054 5.314 0.622 11 1 "[ . 1+ . 2 . 3]" 1
168 1 9 ALA H 1 29 ILE H 4.559 . 7.158 5.486 4.953 6.275 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 9 ALA H 1 30 ILE MD 3.678 . 5.404 3.340 2.853 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 9 ALA H 1 30 ILE HG13 2.940 . 4.211 3.230 3.045 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 9 ALA H 1 64 GLU H 4.223 . 8.521 4.601 4.283 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 9 ALA HA 1 10 THR H 2.122 . 2.685 2.160 2.117 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 9 ALA HA 1 26 ALA HA 4.929 . 7.858 6.751 5.814 8.857 0.999 4 1 "[ +. 1 . 2 . 3]" 1
174 1 9 ALA HA 1 62 LEU HA 5.122 . 8.401 6.386 5.766 7.185 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 9 ALA HA 1 63 GLY QA 2.546 . 3.357 2.480 2.020 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 9 ALA MB 1 10 THR H 2.375 . 3.080 3.013 2.821 3.223 0.143 9 0 "[ . 1 . 2 . 3]" 1
177 1 9 ALA MB 1 11 LYS H 3.227 . 3.476 3.276 2.551 3.580 0.104 24 0 "[ . 1 . 2 . 3]" 1
178 1 9 ALA MB 1 13 TYR QB 2.652 . 3.531 2.768 1.987 4.085 0.554 25 1 "[ . 1 . 2 + 3]" 1
179 1 9 ALA MB 1 13 TYR QE 3.590 . 5.201 5.005 2.914 5.888 0.687 1 1 "[+ . 1 . 2 . 3]" 1
180 1 9 ALA MB 1 28 ASP H 2.434 . 3.175 3.715 3.059 4.213 1.038 25 19 "[****. * 1 ***.* ******+*-* 3]" 1
181 1 9 ALA MB 1 30 ILE MD 2.022 . 2.533 1.831 1.769 1.913 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 9 ALA MB 1 63 GLY H 3.898 2.178 5.618 3.716 3.209 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 9 ALA MB 1 63 GLY QA 2.958 . 4.441 2.178 1.840 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 10 THR H 1 10 THR MG 2.361 . 3.058 2.394 2.225 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 10 THR H 1 11 LYS H 2.627 . 3.490 4.029 3.953 4.136 0.646 4 24 "[ **+* ***1*** **** **-**.*****]" 1
186 1 10 THR H 1 11 LYS QB 3.122 . 4.341 4.102 3.873 4.415 0.074 10 0 "[ . 1 . 2 . 3]" 1
187 1 10 THR H 1 30 ILE MD 3.445 . 4.928 5.034 4.782 5.426 0.498 8 0 "[ . 1 . 2 . 3]" 1
188 1 10 THR H 1 24 VAL QG 3.930 . 5.903 4.221 3.854 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 10 THR H 1 26 ALA HA 3.264 . 4.596 3.883 3.013 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 10 THR H 1 27 GLY H 4.468 . 6.963 5.048 4.131 7.229 0.266 4 0 "[ . 1 . 2 . 3]" 1
191 1 10 THR H 1 63 GLY H 4.849 2.375 7.323 6.839 4.988 7.545 0.222 8 0 "[ . 1 . 2 . 3]" 1
192 1 10 THR H 1 64 GLU H 4.565 . 7.154 4.983 4.427 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 10 THR HA 1 10 THR MG 2.534 . 3.336 2.279 2.218 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 10 THR HA 1 10 THR MG 2.174 . 2.765 2.080 2.054 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 10 THR HA 1 11 LYS H 2.653 . 3.533 2.162 2.134 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 10 THR HA 1 26 ALA HA 3.714 . 5.438 2.677 1.901 4.551 0.089 13 0 "[ . 1 . 2 . 3]" 1
197 1 10 THR HA 1 26 ALA MB 3.707 . 5.423 3.853 3.022 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 10 THR HA 1 27 GLY HA2 4.563 . 7.166 2.945 1.950 4.443 0.010 21 0 "[ . 1 . 2 . 3]" 1
199 1 10 THR HA 1 28 ASP H 3.317 . 4.788 3.855 3.489 4.879 0.091 11 0 "[ . 1 . 2 . 3]" 1
200 1 10 THR HA 1 63 GLY QA 5.306 2.238 8.374 6.257 5.507 6.722 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 10 THR HB 1 10 THR MG 2.149 . 2.726 2.134 2.132 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 10 THR MG 1 28 ASP H 3.626 . 5.288 4.199 3.492 5.261 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 11 LYS H 1 11 LYS HA 2.417 . 3.147 2.840 2.824 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 11 LYS H 1 11 LYS QB 2.535 . 3.338 2.871 2.805 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 11 LYS H 1 12 ASP H 4.057 . 6.114 4.197 4.104 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 11 LYS H 1 24 VAL QG 2.909 . 3.967 2.442 2.106 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 11 LYS H 1 25 LYS H 3.639 2.060 5.218 5.248 4.017 6.220 1.002 22 6 "[ * 1 .* 2*+ -. * 3]" 1
208 1 11 LYS H 1 26 ALA HA 2.658 . 3.541 2.033 1.653 3.884 0.343 4 0 "[ . 1 . 2 . 3]" 1
209 1 11 LYS H 1 26 ALA MB 3.272 2.045 4.499 3.524 2.687 4.828 0.329 4 0 "[ . 1 . 2 . 3]" 1
210 1 11 LYS H 1 27 GLY H 4.937 . 7.984 3.057 2.318 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 11 LYS HA 1 26 ALA H 2.401 . 3.121 2.964 2.369 4.038 0.917 13 1 "[ . 1 + . 2 . 3]" 1
212 1 11 LYS HA 1 26 ALA MB 1.891 . 2.338 3.217 2.398 5.015 2.677 4 25 "[***+*- **1****.****** *******3]" 1
213 1 11 LYS HA 1 26 ALA MB 2.779 . 3.744 2.293 2.223 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 11 LYS QB 1 11 LYS QD 1.531 . 1.824 2.150 2.104 2.325 0.501 24 1 "[ . 1 . 2 +. 3]" 1
215 1 11 LYS QB 1 12 ASP H 2.609 . 3.460 3.528 2.908 3.684 0.224 17 0 "[ . 1 . 2 . 3]" 1
216 1 11 LYS QB 1 13 TYR QD 4.052 . 6.133 4.081 2.744 5.220 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 11 LYS QB 1 24 VAL QG 2.725 . 3.701 2.948 2.158 3.952 0.251 22 0 "[ . 1 . 2 . 3]" 1
218 1 11 LYS QD 1 12 ASP H 3.117 . 4.332 4.475 3.975 5.497 1.165 10 1 "[ . + . 2 . 3]" 1
219 1 11 LYS QD 1 13 TYR H 2.615 . 3.470 4.407 3.683 5.114 1.644 16 28 "[***************+******* * *-**]" 1
220 1 11 LYS QD 1 13 TYR QB 2.722 . 3.648 2.918 2.090 5.563 1.915 25 2 "[ . 1 . 2 - + 3]" 1
221 1 11 LYS QE 1 13 TYR QD 2.182 . 2.777 2.720 1.855 5.007 2.230 22 7 "[* . 1 *- . * 2 + ** 3]" 1
222 1 11 LYS QG 1 12 ASP H 2.758 . 3.400 2.440 2.016 3.937 0.537 10 1 "[ . + . 2 . 3]" 1
223 1 11 LYS QG 1 13 TYR QD 2.704 . 3.618 3.426 2.794 4.372 0.754 1 1 "[+ . 1 . 2 . 3]" 1
224 1 12 ASP H 1 12 ASP HA 2.133 . 2.702 2.904 2.864 2.941 0.239 2 0 "[ . 1 . 2 . 3]" 1
225 1 12 ASP H 1 12 ASP HB2 2.218 . 2.833 2.818 2.338 3.718 0.885 25 8 "[ .*-* 1 .** 2 * +* 3]" 1
226 1 12 ASP H 1 12 ASP HB3 3.127 . 4.349 3.150 2.419 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 12 ASP H 1 13 TYR H 3.116 . 4.330 3.876 3.243 4.487 0.157 16 0 "[ . 1 . 2 . 3]" 1
228 1 12 ASP H 1 26 ALA H 3.951 . 5.902 4.605 3.998 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 12 ASP H 1 26 ALA H 3.635 . 5.286 4.172 3.410 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 12 ASP H 1 26 ALA MB 3.555 . 5.371 3.880 3.159 6.436 1.065 4 1 "[ +. 1 . 2 . 3]" 1
231 1 12 ASP H 1 26 ALA MB 2.986 . 4.101 3.198 2.051 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 12 ASP HA 1 24 VAL HB 2.800 . 3.780 3.806 3.437 4.363 0.583 19 1 "[ . 1 . +2 . 3]" 1
233 1 12 ASP HA 1 24 VAL HA 5.041 . 8.217 5.690 5.065 6.471 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 12 ASP HA 1 26 ALA HA 3.961 . 5.936 4.257 3.166 5.601 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 12 ASP HB2 1 15 ASN QD 4.766 . 7.539 4.321 2.137 7.076 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 13 TYR H 1 13 TYR HA 2.172 . 2.762 2.919 2.836 2.947 0.185 12 0 "[ . 1 . 2 . 3]" 1
237 1 13 TYR H 1 13 TYR QB 2.430 . 2.952 2.364 2.209 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 13 TYR H 1 13 TYR QD 3.380 . 4.808 4.183 3.041 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 13 TYR H 1 13 TYR QE 2.910 . 3.968 4.102 2.737 6.055 2.087 30 12 "[** .* 1 .** *2-* *. **+]" 1
240 1 13 TYR H 1 14 CYS H 3.417 . 4.876 4.300 3.183 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 13 TYR H 1 24 VAL H 2.966 . 4.066 3.449 2.842 4.080 0.014 17 0 "[ . 1 . 2 . 3]" 1
242 1 13 TYR H 1 24 VAL HB 2.472 . 3.236 2.530 2.235 3.440 0.204 25 0 "[ . 1 . 2 . 3]" 1
243 1 13 TYR H 1 25 LYS H 4.523 . 7.080 5.063 4.684 5.681 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 13 TYR HA 1 13 TYR QB 2.206 . 2.804 2.437 2.391 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 13 TYR HA 1 13 TYR QD 2.836 . 3.842 2.758 2.335 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 13 TYR HA 1 14 CYS H 2.302 . 2.964 2.274 2.084 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 13 TYR HA 1 23 ASN HA 5.086 . 8.319 5.802 5.147 6.345 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 13 TYR QB 1 13 TYR QD 2.135 . 2.705 2.139 2.130 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 13 TYR QB 1 14 CYS H 2.801 . 3.782 3.541 1.805 4.004 0.222 24 0 "[ . 1 . 2 . 3]" 1
250 1 13 TYR QB 1 23 ASN QD 3.705 . 5.421 3.230 1.795 4.593 0.194 22 0 "[ . 1 . 2 . 3]" 1
251 1 13 TYR QB 1 24 VAL H 2.563 . 3.384 2.406 1.712 2.777 0.030 22 0 "[ . 1 . 2 . 3]" 1
252 1 13 TYR QB 1 24 VAL H 2.741 . 3.680 2.137 1.687 2.662 0.115 24 0 "[ . 1 . 2 . 3]" 1
253 1 13 TYR QB 1 24 VAL HB 2.566 2.031 3.366 2.363 1.926 3.676 0.310 25 0 "[ . 1 . 2 . 3]" 1
254 1 13 TYR QB 1 24 VAL QG . 2.030 2.630 2.345 1.914 3.363 0.733 25 1 "[ . 1 . 2 + 3]" 1
255 1 13 TYR QD 1 14 CYS H 3.375 . 4.799 3.513 2.922 4.806 0.007 30 0 "[ . 1 . 2 . 3]" 1
256 1 13 TYR QD 1 14 CYS QB 2.282 . 2.933 3.148 2.352 5.067 2.134 25 7 "[* . 1 . - *2 * *+ *]" 1
257 1 13 TYR QD 1 21 SER HA 2.924 . 3.993 3.843 2.818 4.741 0.748 22 1 "[ . 1 . 2 + . 3]" 1
258 1 13 TYR QD 1 21 SER QB 2.314 . 2.983 3.193 2.439 4.905 1.922 22 7 "[ . * 1 . * *2 + -* *]" 1
259 1 13 TYR QD 1 22 LEU H 3.001 . 4.127 3.371 2.166 5.977 1.850 30 6 "[ . * 1 . - *2 * * +]" 1
260 1 13 TYR QD 1 22 LEU QB 2.945 . 4.029 2.656 2.082 4.108 0.079 30 0 "[ . 1 . 2 . 3]" 1
261 1 13 TYR QD 1 22 LEU QD 2.836 . 3.842 3.616 2.969 4.483 0.641 30 2 "[ . 1 . -2 . +]" 1
262 1 13 TYR QD 1 24 VAL H 3.155 . 4.399 3.487 2.171 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 13 TYR QD 1 24 VAL HA 3.203 . 4.485 4.611 4.134 5.174 0.689 19 1 "[ . 1 . +2 . 3]" 1
264 1 13 TYR QD 1 24 VAL HB 4.113 2.193 6.033 4.182 1.977 4.881 0.216 22 0 "[ . 1 . 2 . 3]" 1
265 1 13 TYR QE 1 19 LEU H 3.697 . 5.406 5.000 2.790 7.536 2.130 22 3 "[ . 1- . 2 + * 3]" 1
266 1 13 TYR QE 1 21 SER H 4.885 . 7.771 5.102 2.469 6.007 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 13 TYR QE 1 21 SER HA 2.910 . 4.121 3.637 2.620 6.797 2.676 22 2 "[ . 1 . 2 + - 3]" 1
268 1 13 TYR QE 1 21 SER QB 2.190 . 2.790 2.295 1.897 5.299 2.509 22 2 "[ . 1 . 2 + - 3]" 1
269 1 13 TYR QE 1 22 LEU H 3.617 . 5.252 2.967 1.888 6.972 1.720 22 2 "[ . 1 . 2 + - 3]" 1
270 1 13 TYR QE 1 22 LEU QB 3.144 . 4.380 3.404 2.278 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 13 TYR QE 1 24 VAL H 3.647 . 5.310 5.114 4.055 5.711 0.401 2 0 "[ . 1 . 2 . 3]" 1
272 1 13 TYR QE 1 56 GLY QA 4.144 . 6.380 4.919 3.949 7.454 1.074 22 1 "[ . 1 . 2 + . 3]" 1
273 1 14 CYS H 1 14 CYS QB 2.654 . 3.535 2.970 2.543 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 14 CYS H 1 24 VAL H 4.688 . 7.435 5.132 4.842 5.581 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 14 CYS HA 1 14 CYS QB 2.566 . 3.110 2.353 2.184 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 14 CYS HA 1 15 ASN H 2.383 . 3.093 3.035 2.151 3.547 0.454 5 0 "[ . 1 . 2 . 3]" 1
277 1 14 CYS HA 1 15 ASN H 2.739 . 3.677 2.576 2.098 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 14 CYS HA 1 23 ASN HA 4.777 2.413 7.141 4.938 3.348 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 14 CYS QB 1 15 ASN H 3.863 2.139 5.587 2.841 1.795 4.059 0.344 3 0 "[ . 1 . 2 . 3]" 1
280 1 14 CYS QB 1 15 ASN H 2.410 . 3.136 2.575 1.792 3.605 0.469 19 0 "[ . 1 . 2 . 3]" 1
281 1 14 CYS QB 1 20 THR H 5.431 2.077 8.785 6.989 4.244 11.672 2.887 24 3 "[* . 1 . 2 +. -]" 1
282 1 14 CYS QB 1 24 VAL H 2.442 . 3.188 3.216 2.916 3.859 0.671 25 2 "[ . 1 . 2 -+ 3]" 1
283 1 15 ASN H 1 15 ASN HA 2.182 . 2.777 2.573 2.246 2.950 0.173 17 0 "[ . 1 . 2 . 3]" 1
284 1 15 ASN H 1 15 ASN HB2 2.902 . 3.955 3.196 2.350 3.961 0.006 9 0 "[ . 1 . 2 . 3]" 1
285 1 15 ASN H 1 15 ASN HB2 3.086 . 4.276 2.288 2.094 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 15 ASN H 1 15 ASN HB3 2.828 . 3.828 3.539 2.469 4.076 0.248 10 0 "[ . 1 . 2 . 3]" 1
287 1 15 ASN H 1 15 ASN HB3 2.617 . 3.473 3.009 2.443 3.475 0.002 17 0 "[ . 1 . 2 . 3]" 1
288 1 15 ASN H 1 15 ASN QD 2.785 . 3.754 3.408 2.485 4.780 1.026 29 6 "[ * .* 1 . *2 - . +*]" 1
289 1 15 ASN H 1 24 VAL H 5.187 . 8.549 5.329 3.535 7.815 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 15 ASN HA 1 15 ASN HB3 2.354 . 3.047 2.579 2.370 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 15 ASN HA 1 15 ASN QD 2.940 . 4.021 3.374 1.801 4.071 0.058 27 0 "[ . 1 . 2 . 3]" 1
292 1 15 ASN HB2 1 15 ASN QD 3.060 . 4.085 2.568 2.159 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 15 ASN HB2 1 15 ASN QD 2.039 . 2.559 2.084 1.778 3.063 0.504 19 1 "[ . 1 . +2 . 3]" 1
294 1 15 ASN HB3 1 15 ASN QD 2.704 . 3.618 2.934 2.175 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 15 ASN HB3 1 15 ASN QD 3.381 . 4.810 2.813 2.088 3.288 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 16 ASN HA 1 16 ASN QB 2.354 . 3.047 2.388 2.172 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 16 ASN HA 1 16 ASN HD21 3.746 . 5.500 3.577 1.736 4.494 0.256 30 0 "[ . 1 . 2 . 3]" 1
298 1 16 ASN HA 1 17 TYR QD 3.241 . 4.569 3.986 3.207 4.618 0.049 28 0 "[ . 1 . 2 . 3]" 1
299 1 16 ASN QB 1 16 ASN HD21 3.318 . 4.694 2.313 2.158 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 16 ASN QB 1 17 TYR H 2.965 . 4.064 2.740 1.674 3.531 0.192 10 0 "[ . 1 . 2 . 3]" 1
301 1 16 ASN QB 1 17 TYR QE 2.364 . 3.062 3.601 2.696 4.425 1.363 26 16 "[ ** * * -1** *** * ** **+ 3]" 1
302 1 17 TYR H 1 17 TYR HA 2.431 . 3.170 2.769 2.259 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 17 TYR H 1 17 TYR QB 2.507 . 3.293 2.582 2.386 3.356 0.063 17 0 "[ . 1 . 2 . 3]" 1
304 1 17 TYR H 1 18 ASP H 2.496 . 3.275 2.855 2.282 3.614 0.339 25 0 "[ . 1 . 2 . 3]" 1
305 1 17 TYR HA 1 17 TYR QB 2.183 . 2.779 2.366 2.325 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 17 TYR HA 1 17 TYR QB 2.297 . 2.956 2.094 2.005 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 17 TYR HA 1 17 TYR QD 3.262 . 4.592 2.856 2.463 3.128 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 17 TYR HA 1 18 ASP H 2.594 . 3.435 3.369 2.311 3.590 0.155 5 0 "[ . 1 . 2 . 3]" 1
309 1 17 TYR QB 1 17 TYR QD 3.068 . 4.245 2.137 2.133 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 17 TYR QB 1 17 TYR QE 2.287 . 2.941 2.396 1.877 3.483 0.542 25 5 "[ . * 1 . - 2 * + *]" 1
311 1 17 TYR QB 1 18 ASP H 3.276 . 4.617 2.479 1.880 3.885 0.055 21 0 "[ . 1 . 2 . 3]" 1
312 1 17 TYR QB 1 18 ASP H 2.293 . 2.950 2.111 1.823 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 18 ASP H 1 18 ASP HA 2.401 . 3.121 2.930 2.888 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 18 ASP H 1 18 ASP QB 2.199 . 2.804 2.664 2.370 3.202 0.398 23 0 "[ . 1 . 2 . 3]" 1
315 1 18 ASP H 1 20 THR H 5.725 2.234 9.216 7.223 5.476 7.609 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 18 ASP HA 1 18 ASP QB 1.996 . 2.494 2.332 2.177 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 18 ASP HA 1 19 LEU H 2.568 . 3.393 2.173 2.088 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 18 ASP HA 1 19 LEU H 2.435 . 3.176 2.063 1.894 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 18 ASP QB 1 19 LEU H 3.647 2.016 5.278 3.419 2.198 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 19 LEU H 1 19 LEU HB3 3.186 . 4.455 3.135 2.504 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 19 LEU HA 1 19 LEU QB 2.051 . 2.577 2.107 2.009 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 19 LEU HB3 1 20 THR H 3.198 . 4.476 3.575 2.346 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 20 THR H 1 20 THR HA 2.320 . 2.993 2.929 2.840 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 20 THR H 1 20 THR MG 2.613 . 3.467 3.512 2.214 3.846 0.379 13 0 "[ . 1 . 2 . 3]" 1
325 1 20 THR H 1 21 SER H 3.489 . 5.011 4.127 4.024 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 20 THR H 1 57 TYR H 5.435 . 9.127 6.680 5.555 8.708 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 20 THR HA 1 21 SER H 2.341 . 3.026 2.147 2.087 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 20 THR HA 1 56 GLY QA 3.422 2.204 4.640 4.279 3.249 7.541 2.901 22 6 "[ . * 1 . * *2 + * -]" 1
329 1 20 THR MG 1 21 SER H 3.531 . 5.090 3.444 3.179 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 21 SER H 1 21 SER HB2 2.298 . 2.958 3.059 2.534 3.896 0.938 18 4 "[ . 1* . + 2 *. - 3]" 1
331 1 21 SER H 1 22 LEU H 4.571 . 7.183 4.231 3.629 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 21 SER H 1 57 TYR H 4.384 . 6.787 4.995 4.441 6.573 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 21 SER HA 1 22 LEU H 2.503 . 3.286 2.346 2.126 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 21 SER HA 1 56 GLY QA 3.900 . 5.801 2.451 2.004 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 21 SER HA 1 57 TYR H 2.510 . 3.298 2.874 2.417 4.288 0.990 22 2 "[ . - 1 . 2 + . 3]" 1
336 1 22 LEU H 1 22 LEU HA 2.249 . 2.882 2.721 2.254 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 22 LEU H 1 22 LEU QB 2.618 . 3.475 2.572 2.336 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 22 LEU H 1 22 LEU QB 2.509 . 2.830 2.485 2.294 3.211 0.381 30 0 "[ . 1 . 2 . 3]" 1
339 1 22 LEU H 1 22 LEU QD 2.186 . 2.784 1.931 1.718 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 22 LEU H 1 23 ASN H 4.132 . 6.267 4.293 3.466 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 22 LEU H 1 56 GLY QA 2.382 . 3.091 2.657 1.648 3.090 0.025 30 0 "[ . 1 . 2 . 3]" 1
342 1 22 LEU H 1 57 TYR H 3.596 . 5.438 4.051 2.639 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 22 LEU HA 1 22 LEU QD 2.505 . 3.114 1.941 1.889 1.972 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 22 LEU HA 1 23 ASN H 2.230 . 2.852 2.205 2.132 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 22 LEU QB 1 22 LEU QD 2.103 . 2.656 2.050 2.035 2.067 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 22 LEU QB 1 23 ASN H 3.299 . 4.018 3.349 1.794 3.667 0.145 8 0 "[ . 1 . 2 . 3]" 1
347 1 22 LEU QD 1 23 ASN H 2.425 . 3.160 3.484 2.889 3.656 0.496 20 0 "[ . 1 . 2 . 3]" 1
348 1 22 LEU QD 1 23 ASN QB 3.074 . 4.255 4.022 3.639 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 22 LEU QD 1 24 VAL QG 4.228 2.082 4.428 3.392 2.953 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 22 LEU QD 1 30 ILE MD 2.803 . 3.785 2.922 2.655 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 22 LEU QD 1 30 ILE MG 2.303 . 2.966 2.192 2.028 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 22 LEU QD 1 31 THR H 3.124 . 4.344 3.656 3.466 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 22 LEU QD 1 58 PHE QD 3.065 . 4.240 2.147 1.840 2.601 0.050 24 0 "[ . 1 . 2 . 3]" 1
354 1 22 LEU QD 1 58 PHE QE 3.308 . 4.676 2.432 2.221 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 22 LEU QD 1 43 GLY H 3.518 . 5.065 2.846 2.639 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 22 LEU QD 1 43 GLY QA 2.758 . 3.709 2.419 2.020 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 22 LEU QD 1 43 GLY QA 3.111 . 4.321 2.370 2.014 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 22 LEU QD 1 44 CYS HA 3.839 . 5.795 3.683 3.344 4.118 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 22 LEU QD 1 45 ILE H 3.777 . 5.741 4.187 3.839 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 22 LEU QD 1 45 ILE MD 1.926 . 2.457 2.010 1.851 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 22 LEU QD 1 45 ILE MG 2.953 . 4.043 4.374 4.222 4.656 0.613 12 1 "[ . 1 + . 2 . 3]" 1
362 1 22 LEU QD 1 55 VAL QG 5.205 . 8.489 3.739 3.547 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 22 LEU QD 1 56 GLY H 3.227 . 4.529 2.513 2.271 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 22 LEU QD 1 58 PHE H 3.514 . 5.126 3.586 3.270 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 22 LEU QD 1 58 PHE QB 3.571 . 5.165 2.006 1.821 2.361 0.156 14 0 "[ . 1 . 2 . 3]" 1
366 1 23 ASN H 1 23 ASN HA 2.760 . 3.712 2.873 2.849 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 23 ASN H 1 23 ASN HB2 2.375 . 3.080 2.550 2.315 3.461 0.381 8 0 "[ . 1 . 2 . 3]" 1
368 1 23 ASN H 1 23 ASN QB 2.351 . 3.042 2.363 2.253 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 23 ASN H 1 23 ASN QB 2.196 . 2.799 2.164 1.779 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 23 ASN H 1 24 VAL H 3.459 . 4.954 3.782 3.048 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 23 ASN H 1 45 ILE H 5.443 . 9.147 5.297 4.808 5.884 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 23 ASN H 1 45 ILE H 3.387 . 4.821 5.089 4.711 5.503 0.682 19 3 "[ . * 1 . +2 . -]" 1
373 1 23 ASN H 1 45 ILE MD 2.322 . 2.996 2.652 2.060 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 23 ASN H 1 54 ARG H 3.266 . 4.599 4.045 3.845 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 23 ASN H 1 54 ARG QD 2.857 . 3.877 4.161 3.477 5.514 1.637 15 9 "[- **. * 1 * + *2 . ** 3]" 1
376 1 23 ASN HA 1 23 ASN QB 2.504 . 3.287 2.402 2.329 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 23 ASN HA 1 24 VAL H 2.109 . 2.665 2.363 2.156 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 23 ASN QB 1 23 ASN QD 3.742 . 5.492 2.327 2.116 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 23 ASN QB 1 45 ILE MD 2.124 . 2.688 2.683 2.246 3.112 0.424 19 0 "[ . 1 . 2 . 3]" 1
380 1 23 ASN QB 1 45 ILE MG 2.709 . 3.475 2.761 2.268 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 23 ASN QB 1 54 ARG QB 4.702 2.389 7.015 2.820 2.101 4.305 0.288 13 0 "[ . 1 . 2 . 3]" 1
382 1 23 ASN HB2 1 23 ASN QD 3.309 . 4.274 2.923 2.192 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 23 ASN QD 1 25 LYS QB 2.822 . 3.817 3.586 1.878 4.695 0.878 30 3 "[ * . 1 . -2 . +]" 1
384 1 23 ASN QD 1 54 ARG H 3.391 . 4.828 4.650 3.913 5.269 0.441 18 0 "[ . 1 . 2 . 3]" 1
385 1 24 VAL H 1 24 VAL HB 2.406 . 3.130 2.670 2.580 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 24 VAL H 1 24 VAL QG 2.216 . 2.830 2.054 1.801 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 24 VAL H 1 30 ILE MD 2.930 . 4.003 3.672 3.588 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 24 VAL HA 1 24 VAL HB 2.471 . 3.234 3.017 3.007 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 24 VAL HA 1 24 VAL QG 2.999 . 4.123 2.134 2.123 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 24 VAL HA 1 25 LYS H 2.228 . 2.849 2.165 2.112 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 24 VAL HA 1 45 ILE MD 2.126 . 2.691 2.116 2.050 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 24 VAL HB 1 24 VAL QG 2.040 . 2.560 1.895 1.893 1.897 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 24 VAL HB 1 25 LYS H 2.618 . 3.475 4.053 3.705 4.262 0.787 26 21 "[ * *** * **-** ***** *.+****]" 1
394 1 24 VAL HB 1 26 ALA H 3.165 . 4.364 3.685 3.069 6.181 1.817 13 2 "[ -. 1 + . 2 . 3]" 1
395 1 24 VAL QG 1 25 LYS H 2.345 . 3.033 2.647 2.225 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 24 VAL QG 1 26 ALA HA 2.891 . 3.936 3.199 2.552 4.797 0.861 4 1 "[ +. 1 . 2 . 3]" 1
397 1 24 VAL QG 1 27 GLY H 3.598 . 5.216 2.668 1.814 4.161 0.166 21 0 "[ . 1 . 2 . 3]" 1
398 1 24 VAL QG 1 28 ASP QB 2.177 . 2.769 2.372 1.859 3.338 0.569 2 1 "[ + . 1 . 2 . 3]" 1
399 1 24 VAL QG 1 30 ILE MD 2.196 . 2.448 1.929 1.769 2.231 0.064 2 0 "[ . 1 . 2 . 3]" 1
400 1 24 VAL QG 1 30 ILE MG . 2.471 3.994 3.728 3.380 4.345 0.351 30 0 "[ . 1 . 2 . 3]" 1
401 1 25 LYS H 1 25 LYS HA 2.839 . 3.847 2.924 2.874 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 25 LYS H 1 25 LYS QB 2.920 . 3.986 2.932 2.561 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 25 LYS H 1 25 LYS QB 2.193 . 2.794 2.838 2.311 3.088 0.294 19 0 "[ . 1 . 2 . 3]" 1
404 1 25 LYS H 1 25 LYS HB3 2.390 . 3.104 3.094 2.620 3.472 0.368 4 0 "[ . 1 . 2 . 3]" 1
405 1 25 LYS H 1 25 LYS QG 2.081 . 2.622 2.038 1.847 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 25 LYS H 1 25 LYS QG 2.241 . 2.869 1.940 1.802 2.077 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 25 LYS H 1 25 LYS HG3 2.445 . 3.192 2.922 2.222 3.689 0.497 3 0 "[ . 1 . 2 . 3]" 1
408 1 25 LYS H 1 27 GLY H 3.111 . 4.321 4.102 3.005 5.030 0.709 24 5 "[ * 1 . -*2 +.* 3]" 1
409 1 25 LYS H 1 28 ASP H 3.876 2.066 5.686 4.343 3.409 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 25 LYS H 1 28 ASP QB 3.269 . 4.480 2.604 1.919 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 25 LYS H 1 28 ASP QB 2.855 . 3.874 2.369 1.869 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 25 LYS HA 1 26 ALA H 2.200 . 2.805 2.615 2.100 2.997 0.192 10 0 "[ . 1 . 2 . 3]" 1
413 1 25 LYS QB 1 48 ASN QD 2.789 . 3.761 2.830 1.677 4.298 0.537 11 1 "[ . 1+ . 2 . 3]" 1
414 1 25 LYS QE 1 48 ASN H 2.868 . 3.896 3.188 2.329 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 25 LYS QE 1 48 ASN H 4.758 . 7.708 3.877 2.348 6.097 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 25 LYS QE 1 48 ASN QD 5.050 . 8.175 4.004 2.092 6.554 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 25 LYS QG 1 27 GLY H 3.336 . 4.718 4.403 2.828 6.441 1.723 19 7 "[ . 1 . *+2 -*** *3]" 1
418 1 25 LYS QG 1 28 ASP H 4.279 . 6.628 4.575 3.070 6.130 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 25 LYS QG 1 28 ASP QB 2.144 . 2.719 2.680 1.921 4.566 1.847 19 6 "[ . **1 *. +* . -]" 1
420 1 25 LYS QG 1 28 ASP QB 2.105 . 2.659 2.054 1.842 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 25 LYS QG 1 48 ASN QD 2.513 . 3.302 3.989 2.109 4.799 1.497 19 22 "[** **********.* +*-** ** * *]" 1
422 1 26 ALA H 1 26 ALA HA 2.190 . 2.790 2.278 2.250 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 26 ALA H 1 26 ALA MB 1.915 . 2.373 2.826 2.218 2.929 0.556 4 6 "[ +. -*1 *. *2 . *]" 1
424 1 26 ALA HA 1 26 ALA MB 2.029 . 2.544 2.120 2.115 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 26 ALA HA 1 27 GLY H 1.998 . 2.497 2.555 2.145 3.553 1.056 4 2 "[ +. 1 . 2 . -]" 1
426 1 26 ALA HA 1 28 ASP H 4.139 2.208 6.070 4.795 3.790 6.387 0.317 4 0 "[ . 1 . 2 . 3]" 1
427 1 26 ALA HA 1 28 ASP H 2.852 . 3.869 2.831 2.171 3.986 0.117 6 0 "[ . 1 . 2 . 3]" 1
428 1 26 ALA MB 1 27 GLY H 2.594 . 3.435 3.570 2.055 3.709 0.274 21 0 "[ . 1 . 2 . 3]" 1
429 1 27 GLY H 1 27 GLY HA2 2.445 . 3.192 2.505 2.317 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 27 GLY H 1 27 GLY HA3 2.390 . 3.104 2.913 2.733 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 27 GLY H 1 48 ASN QD 3.776 . 5.558 4.522 4.159 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 27 GLY HA2 1 28 ASP H 2.510 . 3.297 2.592 2.167 3.377 0.080 11 0 "[ . 1 . 2 . 3]" 1
433 1 28 ASP H 1 28 ASP QB 2.451 . 2.693 2.592 2.280 3.253 0.560 2 1 "[ + . 1 . 2 . 3]" 1
434 1 28 ASP H 1 28 ASP QB 2.164 . 2.749 2.194 2.037 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 28 ASP HA 1 28 ASP QB . . 2.354 2.436 2.177 2.533 0.179 4 0 "[ . 1 . 2 . 3]" 1
436 1 28 ASP HA 1 29 ILE H 2.020 . 2.530 2.547 2.220 2.812 0.282 21 0 "[ . 1 . 2 . 3]" 1
437 1 28 ASP HA 1 29 ILE H 2.389 . 3.103 2.049 1.953 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 28 ASP HA 1 29 ILE MG 3.520 . 5.069 4.588 4.355 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 28 ASP QB 1 29 ILE H 2.879 . 3.535 2.649 1.993 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 28 ASP QB 1 29 ILE H 3.148 . 4.386 2.489 1.978 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 29 ILE H 1 29 ILE HB 2.241 . 2.869 2.550 2.463 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 29 ILE H 1 29 ILE MD 2.514 . 3.304 3.513 3.323 3.880 0.576 5 1 "[ + 1 . 2 . 3]" 1
443 1 29 ILE H 1 29 ILE QG 2.122 . 2.685 2.559 2.364 2.748 0.063 7 0 "[ . 1 . 2 . 3]" 1
444 1 29 ILE H 1 29 ILE MG 3.313 . 4.685 3.809 3.765 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 29 ILE H 1 30 ILE H 4.822 . 7.728 4.371 4.169 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 29 ILE H 1 46 HIS QB 2.462 . 3.220 2.834 2.579 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 29 ILE H 1 45 ILE H 5.728 . 9.477 8.094 7.591 8.575 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 29 ILE H 1 46 HIS H 4.200 . 6.405 4.002 3.426 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 29 ILE H 1 48 ASN QD 3.562 . 5.148 3.122 2.308 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 29 ILE HA 1 29 ILE MG 3.411 . 4.866 2.401 2.308 2.480 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 29 ILE HA 1 30 ILE H 2.072 . 2.609 2.151 2.096 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 29 ILE HB 1 29 ILE MG 2.004 . 2.506 2.125 2.121 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 29 ILE HB 1 30 ILE H 2.758 . 3.709 4.214 3.943 4.386 0.677 18 17 "[ * .** -1 * * *+ 2*********3]" 1
454 1 29 ILE MD 1 29 ILE QG 2.109 . 2.665 1.804 1.796 1.811 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 29 ILE MG 1 30 ILE H 2.084 . 2.627 2.790 2.424 3.141 0.514 18 1 "[ . 1 . + 2 . 3]" 1
456 1 29 ILE MG 1 31 THR HB 3.408 . 4.859 5.059 4.736 5.330 0.471 16 0 "[ . 1 . 2 . 3]" 1
457 1 30 ILE H 1 30 ILE MD 4.011 . 6.022 3.863 3.770 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 30 ILE H 1 30 ILE HG13 2.016 . 2.524 2.462 2.284 2.754 0.230 2 0 "[ . 1 . 2 . 3]" 1
459 1 30 ILE H 1 30 ILE MG 2.864 . 3.889 3.882 3.853 3.906 0.017 1 0 "[ . 1 . 2 . 3]" 1
460 1 30 ILE H 1 30 ILE MG 2.694 . 3.601 3.442 3.334 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 30 ILE H 1 46 HIS H 4.587 . 7.217 4.848 4.568 5.049 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 30 ILE HA 1 30 ILE MD 3.215 . 4.507 3.888 3.843 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 30 ILE HA 1 30 ILE HG12 2.231 . 2.853 2.672 2.566 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 30 ILE HA 1 30 ILE HG13 2.275 . 2.922 3.183 3.095 3.270 0.348 3 0 "[ . 1 . 2 . 3]" 1
465 1 30 ILE HA 1 30 ILE MG 2.327 . 3.004 2.287 2.253 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 30 ILE HA 1 31 THR H 2.085 . 2.629 2.164 2.140 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 30 ILE HA 1 45 ILE MD 2.436 . 3.178 2.784 2.413 3.119 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 30 ILE MD 1 30 ILE MG 1.995 . 2.492 1.943 1.899 1.985 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 30 ILE MD 1 32 VAL QG 2.877 . 3.911 3.529 3.296 4.383 0.472 18 0 "[ . 1 . 2 . 3]" 1
470 1 30 ILE MD 1 45 ILE MD 2.674 . 3.568 2.610 2.313 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 30 ILE MD 1 45 ILE MG 2.992 . 4.111 4.367 3.658 4.792 0.681 3 9 "[* + . 1 * - ** 2 * *.* 3]" 1
472 1 30 ILE HG12 1 31 THR H 3.079 . 4.264 4.630 4.459 4.763 0.499 26 0 "[ . 1 . 2 . 3]" 1
473 1 30 ILE HG12 1 46 HIS H 3.677 2.142 5.212 4.369 3.630 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 30 ILE HG13 1 30 ILE MG 2.225 . 2.844 3.201 3.196 3.206 0.362 18 0 "[ . 1 . 2 . 3]" 1
475 1 30 ILE MG 1 31 THR H 2.548 . 3.360 2.641 2.456 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 30 ILE MG 1 32 VAL HA 3.640 2.028 5.252 3.712 3.511 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 30 ILE MG 1 32 VAL QG 1.986 . 2.479 1.947 1.814 3.048 0.569 18 1 "[ . 1 . + 2 . 3]" 1
478 1 30 ILE MG 1 43 GLY QA 2.340 . 3.024 2.759 2.466 3.125 0.101 1 0 "[ . 1 . 2 . 3]" 1
479 1 30 ILE MG 1 44 CYS H 3.768 . 5.658 3.160 2.845 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 30 ILE MG 1 44 CYS QB 4.841 2.832 6.850 4.324 4.050 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 30 ILE MG 1 45 ILE MD 1.971 . 2.520 1.938 1.825 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 30 ILE MG 1 45 ILE MG 2.932 . 4.006 4.105 3.779 4.451 0.445 18 0 "[ . 1 . 2 . 3]" 1
483 1 31 THR H 1 31 THR HA 2.748 . 3.692 2.943 2.938 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 31 THR H 1 31 THR HB 2.713 . 3.633 2.721 2.576 3.659 0.026 16 0 "[ . 1 . 2 . 3]" 1
485 1 31 THR H 1 31 THR MG 2.695 . 3.603 3.778 2.823 3.868 0.265 10 0 "[ . 1 . 2 . 3]" 1
486 1 31 THR H 1 44 CYS H 3.251 . 4.572 3.245 2.980 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 31 THR H 1 44 CYS QB 3.355 . 4.948 3.406 2.923 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 31 THR H 1 44 CYS HB3 4.278 2.335 6.221 4.338 3.364 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 31 THR H 1 45 ILE H 4.495 . 7.021 4.794 4.655 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 31 THR HA 1 32 VAL H 2.033 . 2.550 2.176 2.141 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 31 THR HA 1 43 GLY QA 5.164 . 8.463 5.207 4.985 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 31 THR HB 1 31 THR MG 2.374 . 3.079 2.137 2.135 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 31 THR HB 1 44 CYS H 3.348 . 4.760 3.528 3.157 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 31 THR HB 1 44 CYS QB 2.404 . 3.126 2.651 2.246 4.016 0.890 16 2 "[ . 1 - .+ 2 . 3]" 1
495 1 31 THR MG 1 32 VAL H 3.037 . 4.190 3.198 2.975 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 31 THR MG 1 44 CYS H 4.663 2.098 7.228 4.360 4.029 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 32 VAL H 1 32 VAL HA 2.248 . 2.880 2.941 2.931 2.947 0.067 5 0 "[ . 1 . 2 . 3]" 1
498 1 32 VAL H 1 32 VAL HB 2.480 . 3.249 3.755 3.137 3.822 0.573 11 27 "[**********+*-**** *** *******]" 1
499 1 32 VAL H 1 32 VAL QG . . 2.548 2.071 1.991 2.144 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 32 VAL H 1 34 GLU H 4.928 . 7.963 7.115 6.756 7.458 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 32 VAL H 1 44 CYS H 4.074 . 6.148 4.626 4.414 4.754 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 32 VAL HA 1 32 VAL QG 2.464 . 3.223 2.357 2.325 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 32 VAL HA 1 33 LEU H 2.204 . 2.811 2.304 2.158 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 32 VAL HA 1 41 TRP HZ3 3.597 . 5.214 5.189 3.517 6.448 1.234 2 11 "[ + . - ** * ** * .** *3]" 1
505 1 32 VAL HA 1 43 GLY QA 2.820 . 3.814 1.982 1.811 2.208 0.015 2 0 "[ . 1 . 2 . 3]" 1
506 1 32 VAL HA 1 44 CYS H 2.628 . 3.427 3.031 2.730 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 32 VAL HA 1 58 PHE QE 3.788 2.161 5.415 3.731 3.451 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 32 VAL HB 1 32 VAL QG 2.118 . 2.679 1.893 1.891 1.895 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 32 VAL HB 1 58 PHE QE 2.965 . 4.064 2.110 1.943 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 32 VAL MG1 1 32 VAL MG2 1.795 . 2.198 2.076 2.071 2.082 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 32 VAL QG 1 33 LEU H 2.883 . 3.922 3.131 2.289 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 32 VAL QG 1 33 LEU H 2.485 . 3.257 2.998 2.271 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 32 VAL QG 1 34 GLU H 4.236 . 6.545 4.709 4.145 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 32 VAL QG 1 41 TRP HZ3 3.876 2.151 5.315 3.282 2.645 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 32 VAL QG 1 58 PHE QD 2.779 . 3.744 3.595 3.396 3.802 0.058 20 0 "[ . 1 . 2 . 3]" 1
516 1 32 VAL QG 1 58 PHE QE 2.982 . 4.093 2.491 2.311 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 33 LEU H 1 33 LEU HA 2.728 . 3.658 2.922 2.898 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 33 LEU H 1 33 LEU QB 2.423 . 3.157 3.136 2.471 3.246 0.089 9 0 "[ . 1 . 2 . 3]" 1
519 1 33 LEU H 1 33 LEU QD 2.201 . 2.807 1.747 1.604 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 33 LEU H 1 34 GLU H 3.408 . 4.860 4.441 4.366 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 33 LEU H 1 41 TRP QB 3.524 . 5.167 3.688 3.387 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 33 LEU H 1 41 TRP HZ3 4.733 . 7.475 6.503 5.211 7.594 0.119 19 0 "[ . 1 . 2 . 3]" 1
523 1 33 LEU H 1 42 LYS H 2.836 . 3.842 3.869 3.284 4.434 0.592 21 3 "[ . *1 - 2+ . 3]" 1
524 1 33 LEU H 1 43 GLY H 4.651 . 7.355 5.127 4.677 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 33 LEU H 1 43 GLY QA 2.806 2.151 3.790 3.134 2.816 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 33 LEU H 1 58 PHE QE 2.930 . 4.303 3.851 3.311 4.975 0.672 18 1 "[ . 1 . + 2 . 3]" 1
527 1 33 LEU QB 1 34 GLU H . . 2.660 2.500 2.209 2.953 0.293 8 0 "[ . 1 . 2 . 3]" 1
528 1 33 LEU MD1 1 33 LEU MD2 1.806 . 2.214 2.088 2.070 2.095 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 33 LEU QD 1 33 LEU HG 1.712 . 2.078 1.884 1.881 1.897 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 33 LEU QD 1 35 GLN H 5.977 . 10.443 3.773 3.080 5.742 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 33 LEU QD 1 35 GLN QE 3.832 . 5.667 3.780 2.671 6.116 0.449 18 0 "[ . 1 . 2 . 3]" 1
532 1 33 LEU QD 1 36 HIS H 4.764 . 7.535 4.882 3.753 7.135 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 33 LEU QD 1 41 TRP HD1 5.662 2.490 8.834 5.106 4.464 6.754 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 33 LEU QD 1 41 TRP HE1 5.029 . 8.190 6.330 5.574 7.773 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 33 LEU QD 1 42 LYS H 2.945 . 4.029 2.371 1.806 4.111 0.082 8 0 "[ . 1 . 2 . 3]" 1
536 1 33 LEU QD 1 43 GLY H 3.334 . 4.723 3.990 3.670 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 33 LEU QD 1 43 GLY QA . . 3.455 2.640 2.240 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 33 LEU QD 1 43 GLY QA 2.894 . 3.941 2.158 2.042 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 33 LEU QD 1 44 CYS H 3.909 . 5.875 3.726 3.324 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 33 LEU QD 1 55 VAL QG 4.410 2.122 6.698 3.761 3.354 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 34 GLU H 1 34 GLU HA 2.702 . 3.614 2.933 2.926 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 34 GLU H 1 34 GLU QB 2.737 . 3.674 2.353 2.239 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 34 GLU H 1 35 GLN QG 2.994 . 4.114 4.026 3.360 4.943 0.829 20 1 "[ . 1 . + . 3]" 1
544 1 34 GLU H 1 42 LYS H 4.517 2.399 6.635 6.164 5.353 6.869 0.234 21 0 "[ . 1 . 2 . 3]" 1
545 1 34 GLU HA 1 34 GLU QB 2.319 . 2.991 2.346 2.251 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 34 GLU HA 1 35 GLN H 2.394 . 3.110 2.139 2.103 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 34 GLU HA 1 41 TRP QB 2.566 . 3.389 3.344 2.727 4.293 0.904 24 2 "[ . 1 . 2 +.- 3]" 1
548 1 34 GLU HA 1 41 TRP HZ2 4.683 2.593 6.773 4.644 3.745 5.930 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 34 GLU QB 1 34 GLU QG 2.518 . 3.310 2.071 2.001 2.088 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 34 GLU QB 1 35 GLN H 2.541 . 3.348 3.399 2.816 3.636 0.288 29 0 "[ . 1 . 2 . 3]" 1
551 1 34 GLU QB 1 35 GLN H 3.236 . 4.545 3.644 3.335 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 34 GLU QB 1 41 TRP HH2 3.624 . 5.485 4.162 3.126 5.491 0.006 19 0 "[ . 1 . 2 . 3]" 1
553 1 34 GLU QB 1 41 TRP HZ3 3.768 . 5.645 4.349 3.189 5.653 0.008 3 0 "[ . 1 . 2 . 3]" 1
554 1 34 GLU QG 1 35 GLN H 3.141 . 4.374 3.122 2.601 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 34 GLU QG 1 41 TRP HZ2 3.117 . 4.332 2.810 2.090 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 34 GLU HG3 1 35 GLN H 3.487 . 5.007 3.683 2.782 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 35 GLN H 1 35 GLN HB2 2.556 . 3.373 2.740 2.421 3.435 0.062 21 0 "[ . 1 . 2 . 3]" 1
558 1 35 GLN H 1 35 GLN QG 3.372 . 4.793 2.432 2.276 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 35 GLN H 1 41 TRP QB 2.650 . 3.528 2.498 2.340 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 35 GLN QB 1 35 GLN QE 3.412 . 4.868 2.923 1.757 3.731 0.199 12 0 "[ . 1 . 2 . 3]" 1
561 1 35 GLN QB 1 36 HIS H 2.423 . 3.157 2.260 1.819 3.602 0.445 29 0 "[ . 1 . 2 . 3]" 1
562 1 35 GLN QB 1 41 TRP HD1 4.141 2.134 6.148 3.977 2.298 6.740 0.592 29 1 "[ . 1 . 2 . +3]" 1
563 1 35 GLN QB 1 41 TRP HE1 4.542 . 7.110 5.329 3.937 7.186 0.076 29 0 "[ . 1 . 2 . 3]" 1
564 1 35 GLN HB2 1 36 HIS H 2.675 . 3.570 2.615 1.848 4.196 0.626 10 1 "[ . + . 2 . 3]" 1
565 1 35 GLN HB3 1 35 GLN QE 2.817 . 3.809 3.191 1.785 4.097 0.288 27 0 "[ . 1 . 2 . 3]" 1
566 1 35 GLN QG 1 41 TRP HD1 4.127 2.205 6.049 5.240 3.841 7.626 1.577 29 4 "[ . * *- 2 . +3]" 1
567 1 36 HIS H 1 36 HIS HA 2.933 . 4.008 2.819 2.263 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 36 HIS H 1 36 HIS QB 2.435 . 3.176 2.602 2.383 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 36 HIS H 1 39 GLY H 3.994 . 5.988 5.082 4.485 6.136 0.148 24 0 "[ . 1 . 2 . 3]" 1
570 1 36 HIS H 1 41 TRP HA 3.005 . 4.133 3.648 2.754 4.787 0.654 27 2 "[ . 1 . 2 . + -3]" 1
571 1 36 HIS H 1 41 TRP QB 4.717 . 7.444 4.709 3.774 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 36 HIS H 1 41 TRP HE1 5.101 2.099 8.103 3.649 2.818 5.052 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 36 HIS HA 1 36 HIS QB 2.443 . 3.189 2.371 2.161 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 36 HIS HA 1 38 ASP H 3.408 . 4.833 3.439 2.863 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 36 HIS QB 1 39 GLY H 3.623 . 5.264 3.160 2.168 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 36 HIS QB 1 38 ASP H 2.917 . 3.981 3.200 2.360 5.940 1.959 15 3 "[ .- 1 + 2 *. 3]" 1
577 1 36 HIS QB 1 39 GLY H 3.396 2.120 4.672 3.337 2.198 5.398 0.726 6 1 "[ .+ 1 . 2 . 3]" 1
578 1 36 HIS QB 1 39 GLY H 3.318 . 4.694 2.919 1.891 4.874 0.180 15 0 "[ . 1 . 2 . 3]" 1
579 1 36 HIS QB 1 40 ARG H 3.088 . 4.280 3.351 2.062 6.119 1.839 15 2 "[- . 1 + 2 . 3]" 1
580 1 36 HIS QB 1 41 TRP HD1 3.998 2.218 5.778 3.312 2.015 4.447 0.203 21 0 "[ . 1 . 2 . 3]" 1
581 1 37 PRO HA 1 37 PRO QB 2.352 . 3.043 2.196 2.173 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 37 PRO HA 1 41 TRP HA 5.541 2.365 8.717 7.106 5.814 8.129 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 37 PRO HB2 1 38 ASP H 2.913 . 3.974 3.442 2.015 4.330 0.356 12 0 "[ . 1 . 2 . 3]" 1
584 1 38 ASP H 1 38 ASP HA 2.536 . 3.340 2.851 2.773 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 38 ASP H 1 38 ASP QB 2.732 . 3.665 2.416 2.201 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 38 ASP H 1 39 GLY H 2.583 . 3.417 2.467 1.822 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 38 ASP H 1 40 ARG H 3.455 . 4.947 4.372 2.934 6.041 1.094 27 5 "[ . - 1* . * 2 . +* 3]" 1
588 1 38 ASP HA 1 38 ASP QB 1.833 . 2.253 2.337 2.187 2.423 0.170 24 0 "[ . 1 . 2 . 3]" 1
589 1 38 ASP HA 1 39 GLY H 2.620 . 3.478 3.410 2.674 3.571 0.093 6 0 "[ . 1 . 2 . 3]" 1
590 1 38 ASP QB 1 39 GLY H 2.667 . 3.556 2.979 2.159 3.964 0.408 17 0 "[ . 1 . 2 . 3]" 1
591 1 39 GLY H 1 39 GLY QA 2.398 . 3.117 2.372 2.202 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 39 GLY H 1 39 GLY QA 2.358 . 2.685 2.171 1.965 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 39 GLY H 1 41 TRP HD1 2.982 . 4.093 3.571 2.672 4.172 0.079 3 0 "[ . 1 . 2 . 3]" 1
594 1 39 GLY H 1 40 ARG HB3 3.903 . 5.807 5.281 4.263 6.668 0.861 28 1 "[ . 1 . 2 . + 3]" 1
595 1 39 GLY H 1 40 ARG QG 4.022 . 6.044 4.441 3.217 5.997 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 39 GLY H 1 41 TRP HD1 3.684 2.253 5.115 4.540 3.510 5.635 0.520 6 2 "[ .+ 1 . 2 -. 3]" 1
597 1 39 GLY H 1 41 TRP HE1 5.497 2.295 8.699 4.481 3.466 6.746 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 39 GLY QA 1 40 ARG H 3.014 . 4.149 2.596 2.113 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 39 GLY QA 1 41 TRP H 3.505 . 5.041 4.622 3.654 5.776 0.735 8 5 "[ .**+ 1* -. 2 . 3]" 1
600 1 39 GLY QA 1 41 TRP HD1 3.939 . 5.932 4.933 3.813 5.920 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 39 GLY QA 1 41 TRP HE1 4.769 . 7.545 4.830 3.372 6.585 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 40 ARG H 1 40 ARG HA 2.671 . 3.563 2.913 2.831 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 40 ARG H 1 40 ARG HB3 2.448 . 3.197 3.217 2.461 3.848 0.651 4 2 "[ +. 1 . 2 . - 3]" 1
604 1 40 ARG H 1 40 ARG QD 3.098 . 4.298 4.106 1.942 4.869 0.571 5 2 "[ + 1 . 2 . - 3]" 1
605 1 40 ARG H 1 40 ARG QG 2.586 . 3.422 2.533 1.986 4.129 0.707 5 2 "[ + 1 . -2 . 3]" 1
606 1 40 ARG H 1 41 TRP HD1 3.314 . 4.687 3.807 2.702 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 40 ARG H 1 41 TRP HE1 3.219 . 4.515 4.986 3.610 5.935 1.420 15 17 "[* * .*** -* **+ * 2 * ***** 3]" 1
608 1 40 ARG HA 1 41 TRP H 2.128 . 2.694 2.204 2.078 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 40 ARG HA 1 41 TRP HE1 4.092 . 6.185 5.476 4.768 6.079 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 40 ARG HA 1 58 PHE HA 4.843 2.148 7.538 5.334 4.920 6.074 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 40 ARG HA 1 60 SER HA 4.967 2.127 7.807 5.114 4.121 6.795 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 40 ARG QB 1 40 ARG QD 2.036 . 2.554 2.302 2.105 2.762 0.208 6 0 "[ . 1 . 2 . 3]" 1
613 1 40 ARG QB 1 41 TRP H 2.519 . 3.312 2.953 2.319 3.914 0.602 5 1 "[ + 1 . 2 . 3]" 1
614 1 40 ARG QB 1 58 PHE H 4.564 2.239 6.889 3.821 2.919 5.806 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 40 ARG HB3 1 41 TRP H 3.626 . 5.388 3.966 2.791 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 40 ARG QD 1 40 ARG QG 2.122 . 2.685 2.022 1.973 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 40 ARG QG 1 41 TRP HD1 3.339 . 4.732 4.009 3.019 4.754 0.022 19 0 "[ . 1 . 2 . 3]" 1
618 1 40 ARG QG 1 57 TYR QB 5.231 2.326 8.136 3.891 2.289 5.928 0.037 3 0 "[ . 1 . 2 . 3]" 1
619 1 41 TRP H 1 41 TRP HA 2.398 . 3.117 2.945 2.935 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 41 TRP H 1 41 TRP QB 2.442 . 2.884 2.549 2.402 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 41 TRP H 1 41 TRP HD1 2.803 . 3.785 3.473 2.797 3.884 0.099 9 0 "[ . 1 . 2 . 3]" 1
622 1 41 TRP H 1 58 PHE H 2.771 . 3.731 2.998 2.831 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 41 TRP H 1 60 SER HA 4.088 2.251 5.925 4.367 3.380 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 41 TRP HA 1 41 TRP HD1 2.498 . 3.278 2.452 2.249 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 41 TRP HA 1 41 TRP HE1 4.474 . 6.976 4.880 4.746 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 41 TRP HA 1 42 LYS H 2.593 . 3.433 2.406 2.352 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 41 TRP HA 1 57 TYR HA 4.316 . 6.644 5.390 5.118 5.692 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 41 TRP QB 1 41 TRP HD1 2.556 . 3.373 3.190 3.105 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 41 TRP QB 1 41 TRP HE3 2.929 . 4.002 2.526 2.446 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 41 TRP QB 1 41 TRP HZ3 3.665 . 5.344 4.629 4.605 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 41 TRP QB 1 42 LYS H 2.441 . 3.186 2.381 2.319 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 41 TRP QB 1 58 PHE H 3.758 . 5.523 3.808 3.353 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 41 TRP HZ2 1 60 SER QB 3.717 2.152 5.444 3.625 3.044 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 41 TRP HZ3 1 60 SER HA 3.922 2.155 5.689 4.065 3.489 5.279 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 41 TRP HZ3 1 60 SER QB 4.718 . 7.446 4.202 3.520 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 41 TRP HZ3 1 61 SER H 3.647 . 5.335 3.669 2.297 6.248 0.913 15 2 "[ . - 1 + 2 . 3]" 1
637 1 42 LYS H 1 42 LYS HA 2.362 . 3.059 2.937 2.915 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 42 LYS H 1 42 LYS HB2 2.347 . 3.036 3.045 2.522 3.879 0.843 24 11 "[* * . *-1 ** * * ** +. 3]" 1
639 1 42 LYS H 1 42 LYS QB 2.788 . 3.759 2.679 2.407 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 42 LYS H 1 57 TYR HA 3.943 . 5.912 4.704 4.487 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 42 LYS H 1 58 PHE H 4.698 . 7.457 4.861 4.686 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 42 LYS H 1 58 PHE QE 3.483 . 5.000 3.968 3.381 5.015 0.015 18 0 "[ . 1 . 2 . 3]" 1
643 1 42 LYS HA 1 43 GLY H 2.431 . 3.170 2.260 2.158 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 42 LYS HA 1 55 VAL QG 3.888 2.161 5.615 4.089 3.603 4.820 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 42 LYS HA 1 57 TYR HA 2.381 . 3.090 2.159 1.913 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 42 LYS HA 1 58 PHE H 3.124 . 4.552 3.374 3.054 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 42 LYS QB 1 57 TYR HA 3.687 2.153 5.221 3.749 2.801 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 42 LYS HB3 1 43 GLY H 2.560 . 3.379 3.356 2.440 4.046 0.667 17 11 "[* * . ***1 *- * + 2* .* 3]" 1
649 1 43 GLY H 1 44 CYS H 2.966 . 4.066 4.371 4.317 4.430 0.364 21 0 "[ . 1 . 2 . 3]" 1
650 1 43 GLY H 1 55 VAL QG 2.657 . 3.540 3.127 2.727 3.555 0.015 30 0 "[ . 1 . 2 . 3]" 1
651 1 43 GLY H 1 56 GLY H 2.670 . 3.561 2.757 2.548 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 43 GLY H 1 56 GLY QA 3.969 2.086 5.852 3.980 3.833 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 43 GLY H 1 57 TYR H 4.651 . 7.355 4.878 4.785 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 43 GLY H 1 57 TYR HA 2.738 . 3.543 3.409 3.143 3.644 0.101 6 0 "[ . 1 . 2 . 3]" 1
655 1 43 GLY QA 1 44 CYS H 2.450 . 3.201 2.162 2.106 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 43 GLY QA 1 44 CYS QB 2.643 . 3.516 3.565 3.297 3.759 0.243 13 0 "[ . 1 . 2 . 3]" 1
657 1 43 GLY QA 1 45 ILE HA 5.244 . 8.681 5.765 5.654 5.905 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 43 GLY QA 1 55 VAL HA 4.767 . 6.923 4.722 4.510 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 43 GLY QA 1 57 TYR HA 5.172 . 8.516 5.060 4.746 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 44 CYS H 1 44 CYS QB 2.293 . 2.950 2.489 2.386 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 44 CYS H 1 44 CYS HB3 2.605 . 3.453 3.366 2.539 3.749 0.296 7 0 "[ . 1 . 2 . 3]" 1
662 1 44 CYS H 1 56 GLY H 4.772 . 7.619 4.950 4.833 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 44 CYS HA 1 44 CYS QB 2.241 . 2.869 2.355 2.300 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 44 CYS HA 1 45 ILE H 2.162 . 2.746 2.272 2.184 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 44 CYS HA 1 45 ILE MD 3.231 . 4.536 3.062 2.671 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 44 CYS HA 1 54 ARG H 5.476 2.234 8.718 4.501 4.044 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 44 CYS HA 1 54 ARG HA 3.994 2.094 5.894 5.336 5.073 5.714 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 44 CYS HA 1 55 VAL HA 2.410 . 3.136 2.201 2.020 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 44 CYS HA 1 56 GLY H 3.441 2.108 4.774 3.554 3.192 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 44 CYS HA 1 56 GLY QA 5.075 . 8.294 5.349 5.088 5.603 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 44 CYS QB 1 45 ILE H 2.440 . 3.184 2.970 2.554 3.576 0.392 30 0 "[ . 1 . 2 . 3]" 1
672 1 44 CYS HB3 1 45 ILE H 2.596 . 3.438 3.115 2.601 3.952 0.514 30 1 "[ . 1 . 2 . +]" 1
673 1 45 ILE H 1 45 ILE HA 2.367 . 3.067 2.936 2.930 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 45 ILE H 1 47 ASP H 5.371 . 8.977 6.044 5.838 6.529 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 45 ILE H 1 53 ASP HA 2.366 . 3.066 3.257 3.063 3.387 0.321 24 0 "[ . 1 . 2 . 3]" 1
676 1 45 ILE H 1 53 ASP HB3 4.805 . 7.691 5.447 4.149 6.627 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 45 ILE H 1 54 ARG H 2.436 . 3.178 2.686 2.341 3.198 0.020 29 0 "[ . 1 . 2 . 3]" 1
678 1 45 ILE H 1 55 VAL H 5.462 . 9.191 4.857 4.456 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 45 ILE H 1 56 GLY H 4.642 . 7.336 5.101 4.830 5.636 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 45 ILE HA 1 46 HIS H 2.309 . 2.976 2.171 2.132 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 45 ILE MD 1 46 HIS H 2.451 . 3.202 3.642 3.341 3.950 0.748 30 6 "[ *.- * . 2 * * +]" 1
682 1 45 ILE MG 1 46 HIS H 2.346 . 3.034 2.613 2.316 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 45 ILE MG 1 47 ASP H 3.543 . 5.151 3.428 2.994 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 45 ILE MG 1 54 ARG H 3.288 . 4.680 3.718 3.136 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 46 HIS H 1 46 HIS HA 2.577 . 3.407 2.941 2.933 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 46 HIS H 1 46 HIS QB 2.680 . 3.578 2.406 2.311 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 46 HIS H 1 46 HIS HB3 2.354 . 3.047 2.688 2.409 3.722 0.675 4 3 "[ +. 1 . 2 . -* 3]" 1
688 1 46 HIS H 1 47 ASP H 4.154 . 6.311 4.150 4.034 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 46 HIS HA 1 46 HIS QB 2.333 . 3.013 2.383 2.324 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 46 HIS HA 1 47 ASP H 2.149 . 2.726 2.135 2.090 2.178 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 46 HIS HA 1 47 ASP QB 3.195 . 4.471 3.650 2.946 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 47 ASP H 1 47 ASP HA 2.274 . 2.920 2.842 2.758 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 47 ASP H 1 47 ASP QB 2.287 . 2.941 2.260 2.144 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 47 ASP H 1 48 ASN QD 5.776 . 9.946 5.569 4.670 7.955 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 47 ASP H 1 49 ARG H 4.965 . 8.046 5.500 4.882 6.310 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 47 ASP H 1 53 ASP HA 3.611 . 5.263 3.821 3.246 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 47 ASP H 1 54 ARG H 5.049 2.126 7.972 5.302 4.542 6.063 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 47 ASP HA 1 47 ASP QB 2.480 . 3.249 2.288 2.174 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 47 ASP QB 1 50 THR H 3.299 . 4.623 4.257 3.352 5.815 1.192 14 6 "[ . *- 1** +. 2 * . 3]" 1
700 1 47 ASP QB 1 51 GLY H 4.942 . 6.520 3.330 2.561 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 47 ASP QB 1 52 ASN H 2.708 . 3.625 2.313 1.607 3.806 0.230 27 0 "[ . 1 . 2 . 3]" 1
702 1 47 ASP QB 1 52 ASN HA 3.419 2.288 5.150 3.448 1.994 4.407 0.294 17 0 "[ . 1 . 2 . 3]" 1
703 1 48 ASN H 1 48 ASN HA 2.268 . 2.911 2.906 2.851 2.943 0.032 21 0 "[ . 1 . 2 . 3]" 1
704 1 48 ASN H 1 51 GLY H 4.965 2.100 7.830 5.092 3.524 6.791 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 48 ASN HA 1 48 ASN QB 2.118 . 2.679 2.285 2.169 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 48 ASN QB 1 48 ASN QD 2.556 . 3.372 2.190 2.125 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 48 ASN HB3 1 48 ASN QD 4.425 . 6.058 2.687 2.192 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 49 ARG H 1 49 ARG QB 2.338 . 3.021 2.593 2.128 3.057 0.036 22 0 "[ . 1 . 2 . 3]" 1
709 1 49 ARG H 1 49 ARG HB3 3.105 . 4.310 3.161 2.185 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 49 ARG H 1 49 ARG HG3 4.032 . 6.064 4.043 2.400 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 49 ARG H 1 50 THR H 3.831 . 5.665 2.586 2.151 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 49 ARG H 1 52 ASN H 4.624 . 7.296 4.709 4.002 5.998 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 49 ARG HA 1 49 ARG QB 2.374 . 3.078 2.362 2.242 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 49 ARG HA 1 50 THR H 2.497 . 3.276 3.345 3.145 3.459 0.183 22 0 "[ . 1 . 2 . 3]" 1
715 1 49 ARG HB2 1 50 THR H 2.739 . 3.677 3.068 1.939 3.820 0.143 22 0 "[ . 1 . 2 . 3]" 1
716 1 49 ARG HB3 1 51 GLY H 4.757 2.184 7.330 4.604 3.407 6.924 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 50 THR H 1 50 THR HA 2.469 . 3.231 2.654 2.430 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 50 THR H 1 50 THR HB 2.564 . 3.386 3.169 2.593 3.800 0.414 19 0 "[ . 1 . 2 . 3]" 1
719 1 50 THR H 1 50 THR MG 2.717 . 3.640 3.350 2.361 4.029 0.389 2 0 "[ . 1 . 2 . 3]" 1
720 1 50 THR H 1 51 GLY H 2.345 . 3.033 2.369 1.564 4.373 1.340 6 3 "[ * .+ 1 . - 2 . 3]" 1
721 1 50 THR H 1 51 GLY HA2 3.712 . 5.434 4.382 3.910 5.608 0.174 2 0 "[ . 1 . 2 . 3]" 1
722 1 50 THR H 1 52 ASN H 4.459 . 6.944 3.870 2.991 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 50 THR HA 1 50 THR MG 1.939 . 2.409 2.007 1.930 2.106 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 50 THR HA 1 52 ASN H 2.438 . 3.181 3.593 2.978 4.793 1.612 9 10 "[ * . +* * -* **2 * . *]" 1
725 1 50 THR HB 1 52 ASN QD 5.556 2.374 8.738 4.342 1.885 7.158 0.489 25 0 "[ . 1 . 2 . 3]" 1
726 1 50 THR MG 1 51 GLY H 3.856 . 5.714 3.647 2.055 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 50 THR MG 1 52 ASN H 4.772 . 7.618 4.806 3.996 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 51 GLY H 1 51 GLY HA2 2.405 . 3.128 2.687 2.393 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 51 GLY H 1 51 GLY HA3 2.296 . 2.955 2.744 2.314 2.959 0.004 24 0 "[ . 1 . 2 . 3]" 1
730 1 51 GLY H 1 52 ASN H 2.560 . 3.379 2.144 1.768 3.494 0.115 30 0 "[ . 1 . 2 . 3]" 1
731 1 51 GLY H 1 52 ASN HA 3.787 . 5.758 4.427 4.043 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 51 GLY H 1 52 ASN QD 3.373 . 4.795 3.922 2.451 5.370 0.575 14 1 "[ . 1 +. 2 . 3]" 1
733 1 51 GLY HA2 1 52 ASN H 3.094 . 4.290 3.060 2.431 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 51 GLY HA3 1 52 ASN H 2.691 . 3.596 3.325 2.883 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 52 ASN H 1 52 ASN HA 2.610 . 3.462 2.628 2.252 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 52 ASN H 1 52 ASN HB2 2.294 . 2.952 2.997 2.376 3.706 0.754 15 13 "[ * **** 1*- *+ * * . **]" 1
737 1 52 ASN H 1 52 ASN QB 2.463 . 3.222 2.836 2.344 3.422 0.200 29 0 "[ . 1 . 2 . 3]" 1
738 1 52 ASN H 1 52 ASN QD 2.810 . 3.508 2.946 2.148 4.427 0.919 14 2 "[ . 1 +. - 2 . 3]" 1
739 1 52 ASN H 1 53 ASP H 3.644 . 5.304 4.257 2.656 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 52 ASN HA 1 52 ASN QB 1.992 . 2.488 2.366 2.170 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 52 ASN HB3 1 52 ASN QD 2.743 . 3.684 2.987 2.186 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 53 ASP H 1 53 ASP HA 2.609 . 3.460 2.937 2.914 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 53 ASP H 1 53 ASP QB 2.269 . 2.913 2.556 2.284 2.982 0.069 13 0 "[ . 1 . 2 . 3]" 1
744 1 53 ASP H 1 53 ASP HB3 2.178 . 2.771 3.130 2.347 3.730 0.959 25 13 "[ **. *** *. *-2 * +* **]" 1
745 1 53 ASP HA 1 53 ASP QB 2.236 . 2.861 2.323 2.176 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 53 ASP HA 1 54 ARG H 2.213 . 2.825 2.174 2.109 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 53 ASP QB 1 54 ARG H 2.621 . 3.479 3.445 2.550 3.933 0.454 17 0 "[ . 1 . 2 . 3]" 1
748 1 54 ARG H 1 54 ARG HA 2.638 . 3.508 2.920 2.857 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 54 ARG H 1 54 ARG QB . . 2.922 2.714 2.501 3.222 0.300 21 0 "[ . 1 . 2 . 3]" 1
750 1 54 ARG H 1 54 ARG HD3 3.960 . 5.921 4.979 3.202 6.447 0.526 9 1 "[ . +1 . 2 . 3]" 1
751 1 54 ARG HA 1 54 ARG QB 2.989 . 4.106 2.375 2.182 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 54 ARG HA 1 55 VAL H 3.313 . 4.685 2.354 2.200 2.463 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 54 ARG HA 1 56 GLY H 5.543 . 9.383 6.293 6.151 6.414 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 54 ARG QB 1 55 VAL H 2.144 . 2.719 2.754 2.323 3.610 0.891 4 7 "[ *+. **1 * - *2 . 3]" 1
755 1 55 VAL H 1 55 VAL HA 2.425 . 3.160 2.938 2.918 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 55 VAL H 1 55 VAL HB 2.238 . 2.864 3.047 2.893 3.316 0.452 25 0 "[ . 1 . 2 . 3]" 1
757 1 55 VAL H 1 55 VAL QG 2.333 . 3.014 2.106 1.981 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 55 VAL HA 1 55 VAL HB 2.579 . 3.411 2.455 2.411 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 55 VAL HA 1 55 VAL QG 2.290 . 2.945 2.311 2.281 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 55 VAL HA 1 56 GLY H 2.305 . 2.969 2.216 2.147 2.294 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 55 VAL HB 1 56 GLY H 3.534 . 5.136 4.074 4.006 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 55 VAL QG 1 56 GLY H 3.762 . 5.531 2.341 2.155 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 55 VAL QG 1 57 TYR HA 4.257 2.263 6.251 4.696 4.500 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 56 GLY H 1 56 GLY QA . . 3.197 2.453 2.407 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 56 GLY QA 1 57 TYR H . . 2.835 2.260 2.230 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 57 TYR H 1 57 TYR QB 2.524 . 3.320 2.699 2.396 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 57 TYR H 1 58 PHE H 4.211 . 6.428 4.483 4.348 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 57 TYR HA 1 57 TYR QB 2.181 . 2.776 2.288 2.173 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 57 TYR HA 1 58 PHE H 2.195 . 2.797 2.234 2.169 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 57 TYR QB 1 58 PHE H 2.281 . 2.931 2.853 2.639 3.264 0.333 22 0 "[ . 1 . 2 . 3]" 1
771 1 58 PHE H 1 58 PHE HA 2.857 . 3.878 2.914 2.883 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 58 PHE HA 1 58 PHE QB 2.460 . 3.217 2.189 2.180 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 58 PHE QB 1 58 PHE QD 2.772 . 3.732 2.127 2.122 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 58 PHE QB 1 58 PHE QE 2.836 . 3.842 3.925 3.918 3.932 0.090 12 0 "[ . 1 . 2 . 3]" 1
775 1 58 PHE QE 1 60 SER HA 2.902 . 3.954 2.535 2.136 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 58 PHE QE 1 61 SER H 3.314 . 4.742 2.870 1.857 4.722 0.029 8 0 "[ . 1 . 2 . 3]" 1
777 1 60 SER HA 1 60 SER QB 2.149 . 2.726 2.238 2.172 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 60 SER HA 1 61 SER H 2.747 . 3.690 2.454 2.103 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 60 SER HA 1 62 LEU H 3.942 2.228 5.656 4.569 3.740 5.904 0.248 23 0 "[ . 1 . 2 . 3]" 1
780 1 61 SER H 1 61 SER HA 2.701 . 3.613 2.346 2.254 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 61 SER H 1 61 SER QB 3.046 . 3.588 2.993 2.521 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 61 SER H 1 62 LEU QB 4.407 2.121 6.693 4.540 3.789 5.490 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 61 SER H 1 63 GLY H 4.577 2.294 6.860 5.409 4.453 7.030 0.170 7 0 "[ . 1 . 2 . 3]" 1
784 1 61 SER HA 1 61 SER QB 2.363 . 3.061 2.345 2.177 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 61 SER HA 1 62 LEU H 2.492 . 3.268 2.445 2.129 3.555 0.287 3 0 "[ . 1 . 2 . 3]" 1
786 1 61 SER HA 1 62 LEU H 2.584 . 3.419 2.103 1.949 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 61 SER QB 1 62 LEU H 4.264 . 6.537 3.837 1.967 4.054 0.024 3 0 "[ . 1 . 2 . 3]" 1
788 1 62 LEU H 1 62 LEU HA 2.556 . 3.373 2.891 2.254 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 62 LEU H 1 62 LEU HA 2.020 . 2.530 2.718 2.091 2.811 0.281 26 0 "[ . 1 . 2 . 3]" 1
790 1 62 LEU H 1 62 LEU QB 2.385 . 2.756 2.412 2.241 3.005 0.249 3 0 "[ . 1 . 2 . 3]" 1
791 1 62 LEU H 1 63 GLY QA 4.898 . 7.897 4.301 3.823 4.870 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 62 LEU H 1 63 GLY QA 3.332 . 4.720 4.244 3.804 4.799 0.079 3 0 "[ . 1 . 2 . 3]" 1
793 1 62 LEU HA 1 62 LEU QB 2.257 . 2.894 2.292 2.279 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 62 LEU HA 1 63 GLY H 2.500 . 3.281 3.429 2.151 3.577 0.296 4 0 "[ . 1 . 2 . 3]" 1
795 1 62 LEU QB 1 63 GLY H 2.631 . 2.927 2.557 1.939 4.011 1.084 30 3 "[ . * 1 -. 2 . +]" 1
796 1 62 LEU HG 1 63 GLY H 2.604 . 3.451 3.711 2.984 4.703 1.252 14 6 "[ .* **1 +.* 2 . -]" 1
797 1 63 GLY H 1 63 GLY QA 2.525 . 3.174 2.384 2.229 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 63 GLY H 1 64 GLU H 3.585 . 5.191 4.404 4.081 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 63 GLY QA 1 64 GLU H 2.252 . 2.886 2.255 2.155 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 64 GLU H 1 64 GLU HA 2.136 . 2.707 2.883 2.818 2.943 0.236 19 0 "[ . 1 . 2 . 3]" 1
801 1 64 GLU H 1 64 GLU QB 2.179 . 2.773 2.453 2.268 2.881 0.108 19 0 "[ . 1 . 2 . 3]" 1
802 1 64 GLU H 1 64 GLU QG . . 3.347 2.599 1.896 4.089 0.742 29 3 "[ . * 1 . - 2 . +3]" 1
803 1 64 GLU H 1 66 ILE H 5.001 . 8.127 5.956 5.240 6.619 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 64 GLU HA 1 64 GLU QB 1.991 . 2.487 2.351 2.175 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 64 GLU HA 1 65 ALA H 2.095 . 2.644 2.144 2.120 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 64 GLU QB 1 64 GLU QG 2.352 . 3.043 2.060 1.992 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 64 GLU HB3 1 65 ALA H 2.670 . 3.561 3.622 3.120 4.286 0.725 17 6 "[ . * 1 *- . + *2 . *3]" 1
808 1 64 GLU QG 1 65 ALA H 3.669 . 5.352 4.165 2.924 4.783 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 65 ALA H 1 65 ALA MB 2.226 . 2.845 2.264 2.248 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 65 ALA H 1 66 ILE MG 3.527 . 5.082 4.614 4.293 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 65 ALA HA 1 65 ALA MB 1.892 . 2.339 2.125 2.121 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 65 ALA HA 1 66 ILE H 2.004 . 2.506 2.167 2.096 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 65 ALA MB 1 66 ILE H 2.148 . 2.725 3.366 2.932 3.640 0.915 22 22 "[ **-** ******* *** +* *** **]" 1
814 1 66 ILE H 1 66 ILE HA 2.796 . 3.773 2.922 2.862 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 66 ILE H 1 66 ILE QG 2.391 . 3.106 1.986 1.857 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 66 ILE H 1 66 ILE HG13 2.142 . 2.716 2.853 1.865 3.045 0.329 14 0 "[ . 1 . 2 . 3]" 1
817 1 66 ILE H 1 67 VAL H 3.543 . 5.112 2.284 1.932 4.526 0.042 17 0 "[ . 1 . 2 . 3]" 1
818 1 66 ILE HA 1 66 ILE HB 3.006 . 4.136 2.441 2.412 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 66 ILE HB 1 67 VAL H 3.762 . 5.531 2.747 2.294 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 66 ILE HG13 1 67 VAL H 2.990 . 4.107 3.035 2.459 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 67 VAL H 1 67 VAL HA 2.094 . 2.642 2.366 2.247 2.937 0.295 4 0 "[ . 1 . 2 . 3]" 1
822 1 67 VAL H 1 67 VAL HB 2.940 . 4.020 3.571 2.589 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 67 VAL H 1 67 VAL MG2 2.307 . 2.973 2.690 1.919 3.768 0.795 5 1 "[ + 1 . 2 . 3]" 1
824 1 67 VAL HA 1 67 VAL HB 2.309 . 2.975 2.932 2.414 3.025 0.050 4 0 "[ . 1 . 2 . 3]" 1
825 1 67 VAL HB 1 67 VAL QG 2.025 . 2.538 1.898 1.892 1.899 . 0 0 "[ . 1 . 2 . 3]" 1
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