NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
642619 |
2ymj   |
18782 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ymj
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 1066
_Distance_constraint_stats_list.Viol_count 2108
_Distance_constraint_stats_list.Viol_total 104121.656
_Distance_constraint_stats_list.Viol_max 14.285
_Distance_constraint_stats_list.Viol_rms 1.3068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2442
_Distance_constraint_stats_list.Viol_average_violations_only 2.4697
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.168 0.142 7 0 "[ . 1 . 2]"
1 4 GLU 5.045 0.608 20 3 "[ . - 1 * +]"
1 5 LYS 13.471 0.881 12 14 "[** **- ***+ *** **]"
1 6 PRO 7.111 0.829 1 7 "[+* * * * *-]"
1 7 LYS 2.326 0.801 14 1 "[ . 1 +. 2]"
1 8 PRO 1.545 0.801 14 1 "[ . 1 +. 2]"
1 9 THR 0.567 0.233 20 0 "[ . 1 . 2]"
1 10 PRO 2.992 0.233 20 0 "[ . 1 . 2]"
1 11 ASP 1.811 0.547 9 1 "[ . +1 . 2]"
1 12 TYR 1013.417 11.808 17 20 [*-**************+***]
1 13 LEU 1.490 0.129 20 0 "[ . 1 . 2]"
1 14 MET 7.744 0.547 9 1 "[ . +1 . 2]"
1 15 GLN 1427.450 14.285 18 20 [**********-******+**]
1 16 LEU 818.062 13.237 10 20 [*********+*****-****]
1 17 MET 4.137 0.286 10 0 "[ . 1 . 2]"
1 18 ASN 1.574 0.116 3 0 "[ . 1 . 2]"
1 19 ASP 57.420 2.470 20 20 [*******-***********+]
1 20 LYS 80.616 2.034 13 20 [**-*********+*******]
1 21 LYS 46.332 2.082 4 20 [***+**************-*]
1 22 LEU 715.523 7.031 16 20 [******-********+****]
1 23 MET 399.692 4.833 12 20 [***-*******+********]
1 24 SER 2.665 0.636 12 4 "[ * . -1 + . *2]"
1 25 SER 0.828 0.764 18 1 "[ . 1 . + 2]"
1 26 LEU 198.429 4.475 12 20 [*********-*+********]
1 27 PRO 2.005 0.531 15 1 "[ . 1 + 2]"
1 28 ASN 1.685 0.531 15 1 "[ . 1 + 2]"
1 29 PHE 9.282 1.114 5 4 "[ + - * * 2]"
1 30 SER 2.759 0.279 3 0 "[ . 1 . 2]"
1 31 GLY 0.750 0.212 11 0 "[ . 1 . 2]"
1 32 ILE 344.174 7.031 16 20 [*********-*****+****]
1 33 PHE 953.421 5.486 17 20 [***-************+***]
1 34 THR 461.935 14.285 18 20 [**********-******+**]
1 35 HIS 2655.045 13.722 4 20 [***+******-*********]
1 36 LEU 364.178 3.665 12 20 [*********-*+********]
1 37 GLU 1.332 0.493 10 0 "[ . 1 . 2]"
1 38 ARG 164.029 8.445 7 20 [*****-+*************]
1 39 LEU 175.206 2.458 10 20 [-********+**********]
1 40 LEU 296.313 2.790 4 20 [***+**************-*]
1 41 ASP 2.978 0.546 8 1 "[ . + 1 . 2]"
1 42 GLU 1.515 0.899 5 1 "[ + 1 . 2]"
1 43 GLU 43.799 2.458 10 20 [-********+**********]
1 44 ILE 43.133 2.215 10 20 [*******-*+**********]
1 45 SER 2.818 0.720 9 2 "[ - . +1 . 2]"
1 46 ARG 4.841 0.660 7 4 "[ . +* 1 * *. 2]"
1 47 VAL 3.700 0.148 14 0 "[ . 1 . 2]"
1 48 ARG 3.069 0.491 15 0 "[ . 1 . 2]"
1 49 LYS 4.515 0.303 12 0 "[ . 1 . 2]"
1 50 ASP 1.160 0.298 7 0 "[ . 1 . 2]"
1 51 MET 3.314 0.298 7 0 "[ . 1 . 2]"
1 52 TYR 0.757 0.320 6 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 2 SER HA 1 3 LYS H 3.591 . 5.203 2.558 2.131 3.583 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HB2 1 4 GLU H 5.162 . 8.493 6.373 4.651 8.188 . 0 0 "[ . 1 . 2]" 1
3 1 3 LYS H 1 3 LYS HB3 3.632 . 5.281 3.307 2.382 4.124 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 4 GLU H 2.281 . 2.931 2.275 2.116 3.073 0.142 7 0 "[ . 1 . 2]" 1
5 1 3 LYS QD 1 4 GLU H 3.408 . 4.859 3.971 1.932 4.697 0.025 18 0 "[ . 1 . 2]" 1
6 1 4 GLU H 1 4 GLU HB3 2.443 . 3.189 2.928 2.442 3.720 0.531 15 2 "[ . - 1 + 2]" 1
7 1 4 GLU H 1 4 GLU HG2 3.251 . 4.572 4.068 1.968 5.180 0.608 20 1 "[ . 1 . +]" 1
8 1 4 GLU HA 1 5 LYS H 1.992 . 2.488 2.257 2.100 2.580 0.092 9 0 "[ . 1 . 2]" 1
9 1 4 GLU HB3 1 4 GLU HG2 2.068 . 2.603 2.497 2.365 3.008 0.405 9 0 "[ . 1 . 2]" 1
10 1 4 GLU HB3 1 5 LYS H 3.050 . 4.212 3.718 2.012 4.343 0.131 6 0 "[ . 1 . 2]" 1
11 1 4 GLU HG2 1 5 LYS H 4.077 . 6.155 3.818 2.642 4.965 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 5 LYS HA 2.799 . 3.778 2.878 2.314 2.952 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS HB2 2.386 . 3.097 2.998 2.314 3.978 0.881 12 7 "[ *.- *1*+ .** 2]" 1
14 1 5 LYS H 1 5 LYS QD 1.991 . 2.486 2.083 1.587 2.524 0.038 16 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 5 LYS HE3 5.222 . 8.631 4.567 3.808 5.317 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS HG2 3.028 . 4.174 3.818 2.367 4.490 0.316 20 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 6 PRO QD 5.056 . 8.252 4.073 2.317 4.399 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS HA 1 5 LYS QD 3.128 . 4.351 3.345 2.691 3.788 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS HA 1 6 PRO QD 2.581 . 2.738 2.019 1.796 2.574 . 0 0 "[ . 1 . 2]" 1
20 1 5 LYS HG2 1 6 PRO QD 2.900 . 3.951 4.191 3.084 4.780 0.829 1 7 "[+* * * * *-]" 1
21 1 6 PRO HA 1 6 PRO HB3 2.228 . 2.849 2.299 2.269 2.328 . 0 0 "[ . 1 . 2]" 1
22 1 6 PRO HA 1 7 LYS H 2.060 . 2.590 2.256 2.120 2.521 . 0 0 "[ . 1 . 2]" 1
23 1 6 PRO HB2 1 6 PRO QD 4.095 . 6.191 3.307 2.844 3.556 . 0 0 "[ . 1 . 2]" 1
24 1 6 PRO HB2 1 7 LYS H 2.765 . 3.721 3.276 2.311 4.099 0.378 16 0 "[ . 1 . 2]" 1
25 1 6 PRO HB3 1 6 PRO QD 4.209 . 6.424 3.144 2.877 3.541 . 0 0 "[ . 1 . 2]" 1
26 1 6 PRO HB3 1 7 LYS H 3.463 . 4.962 3.601 3.111 4.158 . 0 0 "[ . 1 . 2]" 1
27 1 6 PRO QD 1 6 PRO HG3 2.667 . 3.556 2.202 2.177 2.253 . 0 0 "[ . 1 . 2]" 1
28 1 6 PRO QD 1 7 LYS H 5.222 . 8.630 4.942 4.778 5.016 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS H 1 7 LYS HA 2.770 . 3.729 2.879 2.758 2.938 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS H 1 7 LYS HB2 2.876 . 3.910 3.595 2.081 3.898 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS H 1 7 LYS HD3 4.795 . 7.669 4.216 1.802 5.073 0.119 16 0 "[ . 1 . 2]" 1
32 1 7 LYS H 1 7 LYS HE2 5.747 . 9.876 4.914 3.675 5.848 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS H 1 7 LYS QG 3.044 . 4.202 2.165 1.862 3.306 0.024 13 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 8 PRO QD 4.684 . 7.426 4.280 4.109 4.392 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS HA 1 7 LYS HB2 2.519 . 3.312 2.491 2.377 2.882 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS HA 1 7 LYS HD3 4.119 . 6.240 4.865 3.916 5.541 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HA 1 8 PRO QB 4.544 . 7.125 4.526 4.353 4.699 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS HA 1 8 PRO QD 2.375 . 3.080 1.919 1.770 2.073 0.037 4 0 "[ . 1 . 2]" 1
39 1 7 LYS HA 1 9 THR MG 5.198 . 8.575 4.880 4.524 5.228 . 0 0 "[ . 1 . 2]" 1
40 1 7 LYS HB2 1 8 PRO QB 3.810 . 5.625 5.156 4.846 6.301 0.676 14 1 "[ . 1 +. 2]" 1
41 1 7 LYS HB2 1 8 PRO QD 2.474 . 3.239 2.735 2.278 4.040 0.801 14 1 "[ . 1 +. 2]" 1
42 1 7 LYS HB2 1 9 THR MG 2.778 . 3.743 3.510 2.909 3.795 0.052 19 0 "[ . 1 . 2]" 1
43 1 7 LYS QG 1 9 THR H 4.008 . 6.016 4.559 3.927 5.778 . 0 0 "[ . 1 . 2]" 1
44 1 8 PRO HA 1 8 PRO QD 4.342 . 4.434 3.437 3.278 3.533 . 0 0 "[ . 1 . 2]" 1
45 1 8 PRO HA 1 9 THR H 2.285 . 2.938 2.169 2.140 2.249 . 0 0 "[ . 1 . 2]" 1
46 1 8 PRO HA 1 12 TYR QD 4.254 . 6.517 3.367 2.571 4.356 . 0 0 "[ . 1 . 2]" 1
47 1 8 PRO QB 1 8 PRO QD 2.829 . 3.830 2.790 2.711 2.967 . 0 0 "[ . 1 . 2]" 1
48 1 8 PRO QB 1 9 THR H 4.057 . 6.114 3.529 2.940 3.662 . 0 0 "[ . 1 . 2]" 1
49 1 8 PRO QB 1 9 THR MG 4.571 . 7.182 4.596 4.334 4.998 . 0 0 "[ . 1 . 2]" 1
50 1 8 PRO QB 1 12 TYR QD 4.409 . 6.839 4.062 2.627 5.650 . 0 0 "[ . 1 . 2]" 1
51 1 8 PRO QD 1 8 PRO HG2 3.057 . 4.225 2.208 2.181 2.242 . 0 0 "[ . 1 . 2]" 1
52 1 8 PRO HG2 1 9 THR H 5.980 . 10.450 5.173 4.542 5.796 . 0 0 "[ . 1 . 2]" 1
53 1 9 THR H 1 9 THR HA 2.930 . 4.003 2.935 2.897 2.945 . 0 0 "[ . 1 . 2]" 1
54 1 9 THR H 1 9 THR MG 2.891 . 3.936 2.966 2.478 3.375 . 0 0 "[ . 1 . 2]" 1
55 1 9 THR H 1 10 PRO HD3 4.347 . 6.709 4.883 4.696 5.032 . 0 0 "[ . 1 . 2]" 1
56 1 9 THR H 1 11 ASP H 4.605 . 7.256 5.045 4.313 5.418 . 0 0 "[ . 1 . 2]" 1
57 1 9 THR H 1 11 ASP HB3 5.949 . 10.372 6.301 4.925 7.055 . 0 0 "[ . 1 . 2]" 1
58 1 9 THR H 1 12 TYR H 3.666 . 5.346 3.378 2.981 3.875 . 0 0 "[ . 1 . 2]" 1
59 1 9 THR H 1 12 TYR HB2 3.136 . 4.365 2.429 2.075 3.071 . 0 0 "[ . 1 . 2]" 1
60 1 9 THR H 1 12 TYR HB3 2.862 . 3.886 2.117 1.789 3.217 0.049 6 0 "[ . 1 . 2]" 1
61 1 9 THR H 1 12 TYR QD 4.053 . 6.106 3.544 3.091 3.941 . 0 0 "[ . 1 . 2]" 1
62 1 9 THR H 1 12 TYR QE 4.878 . 7.852 5.235 4.578 5.679 . 0 0 "[ . 1 . 2]" 1
63 1 9 THR HA 1 9 THR MG 2.568 . 3.393 2.323 2.248 2.373 . 0 0 "[ . 1 . 2]" 1
64 1 9 THR HA 1 10 PRO HD3 2.453 . 3.205 2.252 2.122 2.536 . 0 0 "[ . 1 . 2]" 1
65 1 9 THR HB 1 9 THR MG 2.168 . 2.755 2.134 2.132 2.137 . 0 0 "[ . 1 . 2]" 1
66 1 9 THR HB 1 10 PRO HB2 4.870 . 7.835 4.365 4.220 4.507 . 0 0 "[ . 1 . 2]" 1
67 1 9 THR HB 1 10 PRO HD3 2.477 . 3.244 3.004 2.591 3.477 0.233 20 0 "[ . 1 . 2]" 1
68 1 9 THR HB 1 10 PRO HG3 5.484 . 9.243 4.787 4.513 5.156 . 0 0 "[ . 1 . 2]" 1
69 1 9 THR HB 1 11 ASP H 3.595 . 5.210 2.952 2.773 3.120 . 0 0 "[ . 1 . 2]" 1
70 1 9 THR MG 1 10 PRO HD2 4.004 . 6.008 3.306 2.914 3.465 . 0 0 "[ . 1 . 2]" 1
71 1 9 THR MG 1 10 PRO HD3 3.581 . 5.184 3.472 3.203 3.656 . 0 0 "[ . 1 . 2]" 1
72 1 9 THR MG 1 11 ASP H 4.783 . 7.643 4.477 4.317 4.665 . 0 0 "[ . 1 . 2]" 1
73 1 9 THR MG 1 12 TYR H 4.733 . 7.533 4.338 4.097 4.609 . 0 0 "[ . 1 . 2]" 1
74 1 9 THR MG 1 12 TYR HB3 4.704 . 7.470 4.550 4.188 5.336 . 0 0 "[ . 1 . 2]" 1
75 1 9 THR MG 1 12 TYR QD 4.856 . 7.803 4.920 4.430 5.458 . 0 0 "[ . 1 . 2]" 1
76 1 10 PRO HA 1 10 PRO HB3 2.623 . 3.483 2.295 2.279 2.304 . 0 0 "[ . 1 . 2]" 1
77 1 10 PRO HA 1 10 PRO HD3 4.011 . 6.022 3.636 3.570 3.706 . 0 0 "[ . 1 . 2]" 1
78 1 10 PRO HA 1 11 ASP H 3.189 . 4.460 3.568 3.525 3.586 . 0 0 "[ . 1 . 2]" 1
79 1 10 PRO HA 1 12 TYR H 4.246 . 6.500 4.398 3.985 4.555 . 0 0 "[ . 1 . 2]" 1
80 1 10 PRO HA 1 12 TYR QD 5.412 . 9.074 6.290 5.883 6.765 . 0 0 "[ . 1 . 2]" 1
81 1 10 PRO HA 1 13 LEU H 3.324 . 4.705 3.283 3.111 3.426 . 0 0 "[ . 1 . 2]" 1
82 1 10 PRO HA 1 13 LEU HB2 4.166 . 6.335 3.589 3.353 3.915 . 0 0 "[ . 1 . 2]" 1
83 1 10 PRO HA 1 13 LEU HB3 2.936 . 4.014 2.601 2.423 2.774 . 0 0 "[ . 1 . 2]" 1
84 1 10 PRO HA 1 13 LEU QD 4.148 . 6.299 3.398 3.205 3.653 . 0 0 "[ . 1 . 2]" 1
85 1 10 PRO HB2 1 12 TYR H 4.392 . 6.803 4.858 4.733 4.983 . 0 0 "[ . 1 . 2]" 1
86 1 10 PRO HB2 1 13 LEU H 3.496 . 5.023 5.078 5.026 5.152 0.129 20 0 "[ . 1 . 2]" 1
87 1 10 PRO HB3 1 14 MET ME 2.360 . 3.056 3.136 3.104 3.190 0.134 5 0 "[ . 1 . 2]" 1
88 1 10 PRO HD2 1 12 TYR H 5.001 . 8.128 4.622 4.502 4.808 . 0 0 "[ . 1 . 2]" 1
89 1 10 PRO HD3 1 10 PRO HG2 2.467 . 3.228 2.708 2.688 2.727 . 0 0 "[ . 1 . 2]" 1
90 1 10 PRO HD3 1 10 PRO HG3 2.679 . 3.576 2.306 2.295 2.321 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HD3 1 11 ASP H 4.022 . 6.044 4.129 4.011 4.250 . 0 0 "[ . 1 . 2]" 1
92 1 11 ASP H 1 11 ASP HA 2.674 . 3.568 2.788 2.772 2.799 . 0 0 "[ . 1 . 2]" 1
93 1 11 ASP H 1 11 ASP HB3 2.994 . 4.115 3.155 2.467 3.609 . 0 0 "[ . 1 . 2]" 1
94 1 11 ASP H 1 12 TYR H 2.686 . 3.588 2.728 2.647 2.816 . 0 0 "[ . 1 . 2]" 1
95 1 11 ASP HA 1 11 ASP HB2 2.680 . 3.578 2.784 2.406 3.030 . 0 0 "[ . 1 . 2]" 1
96 1 11 ASP HA 1 11 ASP HB3 2.835 . 3.840 2.647 2.409 3.025 . 0 0 "[ . 1 . 2]" 1
97 1 11 ASP HA 1 12 TYR H 3.484 . 5.001 3.516 3.477 3.538 . 0 0 "[ . 1 . 2]" 1
98 1 11 ASP HA 1 14 MET HB2 2.636 . 3.505 2.802 2.550 3.200 . 0 0 "[ . 1 . 2]" 1
99 1 11 ASP HB2 1 12 TYR H 2.803 . 3.785 3.065 2.333 3.949 0.164 9 0 "[ . 1 . 2]" 1
100 1 11 ASP HB2 1 13 LEU H 4.459 . 6.944 5.152 4.726 5.732 . 0 0 "[ . 1 . 2]" 1
101 1 11 ASP HB3 1 12 TYR H 3.577 . 5.176 3.310 2.524 3.886 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP HB3 1 12 TYR QD 5.631 . 9.594 6.182 5.602 7.205 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP HB3 1 14 MET HB2 3.788 . 5.581 5.117 4.531 6.128 0.547 9 1 "[ . +1 . 2]" 1
104 1 11 ASP HB3 1 15 GLN QE 3.505 . 5.040 3.360 2.455 4.558 . 0 0 "[ . 1 . 2]" 1
105 1 12 TYR H 1 12 TYR HA 2.710 . 3.628 2.800 2.769 2.830 . 0 0 "[ . 1 . 2]" 1
106 1 12 TYR H 1 12 TYR HB2 2.664 . 3.551 2.359 2.228 2.496 . 0 0 "[ . 1 . 2]" 1
107 1 12 TYR H 1 12 TYR HB3 2.725 . 3.653 2.605 2.395 2.746 . 0 0 "[ . 1 . 2]" 1
108 1 12 TYR H 1 12 TYR QD 4.377 . 6.772 4.147 4.072 4.206 . 0 0 "[ . 1 . 2]" 1
109 1 12 TYR H 1 13 LEU QD 4.934 . 7.977 5.602 5.467 5.671 . 0 0 "[ . 1 . 2]" 1
110 1 12 TYR H 1 14 MET H 3.087 . 4.278 4.072 3.939 4.259 . 0 0 "[ . 1 . 2]" 1
111 1 12 TYR H 1 15 GLN QB 4.872 . 7.839 5.476 5.270 5.828 . 0 0 "[ . 1 . 2]" 1
112 1 12 TYR H 1 15 GLN QE 3.613 . 5.245 4.173 3.592 4.813 . 0 0 "[ . 1 . 2]" 1
113 1 12 TYR HA 1 12 TYR QD 2.885 . 3.925 3.036 2.674 3.272 . 0 0 "[ . 1 . 2]" 1
114 1 12 TYR HA 1 12 TYR QE 4.330 . 6.674 4.699 4.514 4.937 . 0 0 "[ . 1 . 2]" 1
115 1 12 TYR HA 1 13 LEU H 3.285 . 4.634 3.508 3.493 3.527 . 0 0 "[ . 1 . 2]" 1
116 1 12 TYR HA 1 15 GLN H 3.557 . 5.138 4.051 3.815 4.448 . 0 0 "[ . 1 . 2]" 1
117 1 12 TYR HA 1 15 GLN QB 4.310 . 6.632 3.437 3.096 3.964 . 0 0 "[ . 1 . 2]" 1
118 1 12 TYR HA 1 15 GLN QE 5.251 . 8.698 3.027 2.269 4.057 . 0 0 "[ . 1 . 2]" 1
119 1 12 TYR HA 1 16 LEU H 4.207 . 6.420 4.588 4.320 4.852 . 0 0 "[ . 1 . 2]" 1
120 1 12 TYR HA 1 35 HIS HD2 6.151 . 10.880 21.886 21.059 22.688 11.808 17 20 [-***************+***] 1
121 1 12 TYR HA 1 47 VAL MG1 4.091 . 6.183 5.277 4.785 5.661 . 0 0 "[ . 1 . 2]" 1
122 1 12 TYR HB2 1 12 TYR QD 3.229 . 4.533 2.339 2.233 2.403 . 0 0 "[ . 1 . 2]" 1
123 1 12 TYR HB2 1 12 TYR QE 4.409 . 6.839 4.389 4.334 4.412 . 0 0 "[ . 1 . 2]" 1
124 1 12 TYR HB2 1 13 LEU H 3.558 . 5.140 3.837 3.686 3.946 . 0 0 "[ . 1 . 2]" 1
125 1 12 TYR HB2 1 14 MET H 5.047 . 8.232 5.703 5.569 5.837 . 0 0 "[ . 1 . 2]" 1
126 1 12 TYR HB2 1 15 GLN QE 4.173 . 6.350 4.749 4.031 5.651 . 0 0 "[ . 1 . 2]" 1
127 1 12 TYR HB3 1 12 TYR QD 3.184 . 4.451 2.482 2.383 2.764 . 0 0 "[ . 1 . 2]" 1
128 1 12 TYR HB3 1 12 TYR QE 4.642 . 7.335 4.436 4.405 4.508 . 0 0 "[ . 1 . 2]" 1
129 1 12 TYR HB3 1 13 LEU H 2.860 . 3.882 2.706 2.509 2.815 . 0 0 "[ . 1 . 2]" 1
130 1 12 TYR HB3 1 14 MET H 4.331 . 6.676 4.944 4.767 5.070 . 0 0 "[ . 1 . 2]" 1
131 1 12 TYR QD 1 13 LEU H 3.644 . 5.304 3.792 3.464 4.055 . 0 0 "[ . 1 . 2]" 1
132 1 12 TYR QD 1 13 LEU HB2 4.094 . 6.189 3.983 3.636 4.830 . 0 0 "[ . 1 . 2]" 1
133 1 12 TYR QD 1 13 LEU QD 3.696 . 5.404 4.098 3.873 4.528 . 0 0 "[ . 1 . 2]" 1
134 1 12 TYR QD 1 14 MET H 5.518 . 9.325 5.447 5.143 5.720 . 0 0 "[ . 1 . 2]" 1
135 1 12 TYR QD 1 15 GLN H 4.938 . 7.986 5.732 5.075 6.016 . 0 0 "[ . 1 . 2]" 1
136 1 12 TYR QD 1 15 GLN QB 4.972 . 8.063 5.069 4.466 5.428 . 0 0 "[ . 1 . 2]" 1
137 1 12 TYR QD 1 16 LEU H 4.756 . 7.584 4.999 3.910 5.361 . 0 0 "[ . 1 . 2]" 1
138 1 12 TYR QD 1 16 LEU QB 4.366 . 6.749 4.293 3.574 4.618 . 0 0 "[ . 1 . 2]" 1
139 1 12 TYR QD 1 16 LEU QD 3.764 . 5.535 2.497 2.218 2.668 . 0 0 "[ . 1 . 2]" 1
140 1 12 TYR QD 1 16 LEU HG 3.811 . 5.626 3.658 2.148 3.987 . 0 0 "[ . 1 . 2]" 1
141 1 12 TYR QD 1 35 HIS HD2 5.146 . 8.457 18.199 17.228 18.925 10.468 10 20 [*-*******+**********] 1
142 1 12 TYR QD 1 43 GLU QG 4.267 . 6.543 3.921 3.448 4.358 . 0 0 "[ . 1 . 2]" 1
143 1 12 TYR QD 1 47 VAL HA 4.753 . 7.576 5.475 5.134 6.358 . 0 0 "[ . 1 . 2]" 1
144 1 12 TYR QD 1 47 VAL MG1 3.808 . 5.621 2.686 2.215 3.668 . 0 0 "[ . 1 . 2]" 1
145 1 12 TYR QD 1 47 VAL MG2 3.091 . 4.285 2.431 2.155 3.207 . 0 0 "[ . 1 . 2]" 1
146 1 12 TYR QE 1 13 LEU H 4.933 . 7.975 5.984 5.731 6.215 . 0 0 "[ . 1 . 2]" 1
147 1 12 TYR QE 1 13 LEU HA 4.952 . 8.017 4.993 4.680 5.352 . 0 0 "[ . 1 . 2]" 1
148 1 12 TYR QE 1 13 LEU QD 3.918 . 5.837 5.087 4.728 5.549 . 0 0 "[ . 1 . 2]" 1
149 1 12 TYR QE 1 15 GLN QB 5.151 . 8.468 5.956 5.558 6.364 . 0 0 "[ . 1 . 2]" 1
150 1 12 TYR QE 1 16 LEU H 5.356 . 8.942 6.073 5.318 6.487 . 0 0 "[ . 1 . 2]" 1
151 1 12 TYR QE 1 16 LEU QB 4.825 . 7.735 4.903 4.388 5.276 . 0 0 "[ . 1 . 2]" 1
152 1 12 TYR QE 1 16 LEU QD 3.793 . 5.154 2.134 1.854 2.434 0.141 1 0 "[ . 1 . 2]" 1
153 1 12 TYR QE 1 16 LEU HG 3.783 . 5.572 3.831 2.696 4.210 . 0 0 "[ . 1 . 2]" 1
154 1 12 TYR QE 1 35 HIS QB 5.108 . 8.369 11.984 11.181 12.517 4.148 4 20 [-**+****************] 1
155 1 12 TYR QE 1 35 HIS HD2 5.555 . 8.627 16.279 15.143 17.116 8.489 10 20 [*-*******+**********] 1
156 1 12 TYR QE 1 35 HIS HE1 4.125 . 6.252 16.714 15.747 17.761 11.509 4 20 [***+******-*********] 1
157 1 12 TYR QE 1 38 ARG QG 5.438 . 9.134 11.311 10.614 11.913 2.779 10 20 [*-*******+**********] 1
158 1 12 TYR QE 1 38 ARG QH2 4.232 . 6.471 12.431 10.722 14.916 8.445 7 20 [******+**********-**] 1
159 1 12 TYR QE 1 40 LEU QD 3.676 . 5.365 5.003 4.060 5.230 . 0 0 "[ . 1 . 2]" 1
160 1 12 TYR QE 1 43 GLU QG 5.098 . 8.347 2.294 1.994 2.828 . 0 0 "[ . 1 . 2]" 1
161 1 12 TYR QE 1 47 VAL H 5.231 . 8.651 5.688 5.199 6.714 . 0 0 "[ . 1 . 2]" 1
162 1 12 TYR QE 1 47 VAL HA 4.854 . 7.799 5.818 5.312 6.931 . 0 0 "[ . 1 . 2]" 1
163 1 12 TYR QE 1 47 VAL HB 4.344 . 6.703 4.852 4.361 5.746 . 0 0 "[ . 1 . 2]" 1
164 1 12 TYR QE 1 47 VAL MG1 3.907 . 5.815 4.098 3.652 4.942 . 0 0 "[ . 1 . 2]" 1
165 1 12 TYR QE 1 47 VAL MG2 2.964 . 4.062 2.455 1.969 3.598 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU H 1 13 LEU HA 2.925 . 3.995 2.887 2.874 2.896 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU H 1 13 LEU HB2 2.572 . 3.399 2.711 2.679 2.782 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 13 LEU HB3 2.482 . 3.252 2.415 2.363 2.447 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU H 1 13 LEU QD 3.332 . 4.720 3.776 3.763 3.807 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU H 1 13 LEU HG 4.097 . 6.196 4.408 4.371 4.434 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU H 1 14 MET H 2.487 . 3.260 2.418 2.363 2.466 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU H 1 14 MET HB2 4.469 . 6.966 4.625 4.270 4.774 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU H 1 15 GLN QE 4.120 . 6.242 5.181 4.563 5.894 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU H 1 16 LEU QD 4.346 . 6.707 4.458 4.280 4.617 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU H 1 47 VAL MG1 3.577 . 5.176 3.507 3.219 3.718 . 0 0 "[ . 1 . 2]" 1
176 1 13 LEU HA 1 13 LEU HB2 2.836 . 3.842 2.425 2.409 2.441 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU HA 1 13 LEU QD 2.150 . 2.728 2.097 2.045 2.141 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU HA 1 13 LEU HG 3.142 . 4.376 3.207 3.170 3.244 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU HA 1 15 GLN H 4.697 . 7.454 4.307 4.183 4.404 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU HA 1 16 LEU H 3.789 . 5.584 3.304 3.174 3.374 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU HA 1 16 LEU QB . . 3.123 2.318 2.152 2.454 . 0 0 "[ . 1 . 2]" 1
182 1 13 LEU HA 1 16 LEU QD . . 3.737 2.344 2.028 2.513 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU HA 1 16 LEU HG 3.657 . 5.328 3.600 3.328 3.797 . 0 0 "[ . 1 . 2]" 1
184 1 13 LEU HA 1 17 MET H 4.181 . 6.366 4.375 4.189 4.512 . 0 0 "[ . 1 . 2]" 1
185 1 13 LEU HA 1 47 VAL MG1 3.330 . 4.716 3.039 2.870 3.267 . 0 0 "[ . 1 . 2]" 1
186 1 13 LEU HB2 1 13 LEU QD 2.166 . 2.752 2.120 2.111 2.132 . 0 0 "[ . 1 . 2]" 1
187 1 13 LEU HB2 1 13 LEU HG 2.936 . 4.014 3.021 3.018 3.024 . 0 0 "[ . 1 . 2]" 1
188 1 13 LEU HB2 1 14 MET H 3.891 . 5.784 4.131 4.031 4.223 . 0 0 "[ . 1 . 2]" 1
189 1 13 LEU HB2 1 15 GLN H 4.608 . 7.263 5.880 5.724 5.982 . 0 0 "[ . 1 . 2]" 1
190 1 13 LEU HB2 1 16 LEU QD 4.058 . 6.117 3.879 3.587 4.097 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU HB3 1 13 LEU QD 2.701 . 3.613 2.279 2.259 2.299 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU HB3 1 13 LEU HG 2.420 . 3.152 2.462 2.443 2.486 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU HB3 1 14 MET H 2.868 . 3.896 2.984 2.810 3.139 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU HB3 1 14 MET ME 2.128 . 2.694 2.199 2.075 2.306 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU HB3 1 47 VAL MG1 3.190 . 4.462 3.389 3.225 3.650 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU QD 1 13 LEU HG 1.852 . 2.281 1.891 1.888 1.893 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU QD 1 14 MET H 3.360 . 4.772 4.091 4.002 4.154 . 0 0 "[ . 1 . 2]" 1
198 1 13 LEU QD 1 14 MET ME 2.580 . 3.412 2.264 2.117 2.378 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU QD 1 15 GLN H 4.647 . 7.347 5.097 5.001 5.187 . 0 0 "[ . 1 . 2]" 1
200 1 13 LEU QD 1 16 LEU H 3.756 . 5.520 4.150 4.041 4.218 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU QD 1 16 LEU QB 2.077 . 2.616 2.478 2.248 2.544 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU QD 1 16 LEU QD 2.441 . 3.186 2.638 2.351 2.828 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU QD 1 17 MET H 3.158 . 4.404 3.961 3.802 4.123 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU QD 1 17 MET HG2 2.848 . 3.862 3.390 3.107 3.760 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU QD 1 17 MET HG3 3.304 . 4.669 3.324 2.868 3.652 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU QD 1 18 ASN H 4.525 . 7.084 6.060 5.832 6.319 . 0 0 "[ . 1 . 2]" 1
207 1 13 LEU QD 1 44 ILE HA 2.574 . 3.402 2.656 2.536 2.708 . 0 0 "[ . 1 . 2]" 1
208 1 13 LEU HG 1 14 MET H 3.490 . 5.012 4.026 3.885 4.121 . 0 0 "[ . 1 . 2]" 1
209 1 13 LEU HG 1 14 MET ME 2.018 . 2.527 2.173 2.085 2.284 . 0 0 "[ . 1 . 2]" 1
210 1 13 LEU HG 1 16 LEU QD 4.716 . 7.496 4.663 4.340 4.859 . 0 0 "[ . 1 . 2]" 1
211 1 13 LEU HG 1 17 MET H 3.938 . 5.876 4.549 4.353 4.796 . 0 0 "[ . 1 . 2]" 1
212 1 13 LEU HG 1 44 ILE H 5.025 . 8.181 8.190 8.086 8.236 0.055 8 0 "[ . 1 . 2]" 1
213 1 14 MET H 1 14 MET HA 2.605 . 3.453 2.870 2.855 2.888 . 0 0 "[ . 1 . 2]" 1
214 1 14 MET H 1 14 MET HB2 2.164 . 2.749 2.421 2.151 2.528 . 0 0 "[ . 1 . 2]" 1
215 1 14 MET H 1 14 MET HB3 3.080 . 4.266 3.579 3.408 3.632 . 0 0 "[ . 1 . 2]" 1
216 1 14 MET H 1 14 MET HG3 4.297 . 6.605 3.858 3.778 4.043 . 0 0 "[ . 1 . 2]" 1
217 1 14 MET H 1 15 GLN H 1.865 . 2.300 2.358 2.265 2.420 0.120 14 0 "[ . 1 . 2]" 1
218 1 14 MET HA 1 14 MET HB2 2.590 . 3.429 3.003 2.925 3.027 . 0 0 "[ . 1 . 2]" 1
219 1 14 MET HA 1 14 MET HB3 2.536 . 3.340 2.535 2.463 2.750 . 0 0 "[ . 1 . 2]" 1
220 1 14 MET HA 1 14 MET ME 2.846 . 3.858 2.336 2.211 2.418 . 0 0 "[ . 1 . 2]" 1
221 1 14 MET HA 1 14 MET HG3 3.559 . 5.143 3.379 2.199 3.777 . 0 0 "[ . 1 . 2]" 1
222 1 14 MET HA 1 15 GLN H 3.359 . 4.770 3.472 3.442 3.498 . 0 0 "[ . 1 . 2]" 1
223 1 14 MET HA 1 15 GLN QG 4.794 . 7.666 5.148 5.073 5.302 . 0 0 "[ . 1 . 2]" 1
224 1 14 MET HA 1 17 MET H 4.287 . 6.584 3.327 3.181 3.551 . 0 0 "[ . 1 . 2]" 1
225 1 14 MET HA 1 17 MET HB2 3.197 . 4.474 3.167 2.889 3.613 . 0 0 "[ . 1 . 2]" 1
226 1 14 MET HB2 1 14 MET ME 3.214 . 4.505 3.633 3.050 3.826 . 0 0 "[ . 1 . 2]" 1
227 1 14 MET HB2 1 14 MET HG2 2.045 . 2.568 2.439 2.389 2.570 0.002 3 0 "[ . 1 . 2]" 1
228 1 14 MET HB2 1 14 MET HG3 2.028 . 2.542 2.567 2.439 2.939 0.397 11 0 "[ . 1 . 2]" 1
229 1 14 MET HB2 1 15 GLN H 2.469 . 3.231 2.745 2.594 3.003 . 0 0 "[ . 1 . 2]" 1
230 1 14 MET HB3 1 14 MET ME 3.419 . 4.880 3.775 3.697 3.856 . 0 0 "[ . 1 . 2]" 1
231 1 14 MET HB3 1 17 MET ME 2.866 . 3.893 2.950 2.605 3.744 . 0 0 "[ . 1 . 2]" 1
232 1 14 MET ME 1 14 MET HG2 2.344 . 3.031 2.555 2.262 3.403 0.372 6 0 "[ . 1 . 2]" 1
233 1 14 MET ME 1 16 LEU H 4.042 . 6.084 5.091 4.933 5.198 . 0 0 "[ . 1 . 2]" 1
234 1 14 MET ME 1 16 LEU QD 4.200 . 6.405 5.284 5.035 5.400 . 0 0 "[ . 1 . 2]" 1
235 1 14 MET ME 1 17 MET H 3.437 . 4.914 4.634 4.426 4.776 . 0 0 "[ . 1 . 2]" 1
236 1 14 MET ME 1 17 MET HA 4.067 . 6.134 5.932 5.658 6.209 0.075 3 0 "[ . 1 . 2]" 1
237 1 15 GLN H 1 15 GLN HA 2.965 . 4.064 2.850 2.818 2.881 . 0 0 "[ . 1 . 2]" 1
238 1 15 GLN H 1 15 GLN QB . . 3.007 2.396 2.286 2.515 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLN H 1 15 GLN QE 4.359 . 6.734 3.638 3.208 4.106 . 0 0 "[ . 1 . 2]" 1
240 1 15 GLN H 1 15 GLN QG . . 2.965 2.339 2.030 2.594 . 0 0 "[ . 1 . 2]" 1
241 1 15 GLN H 1 16 LEU H 2.698 . 3.608 2.518 2.426 2.620 . 0 0 "[ . 1 . 2]" 1
242 1 15 GLN H 1 16 LEU QD 5.432 . 9.121 4.940 4.825 5.048 . 0 0 "[ . 1 . 2]" 1
243 1 15 GLN H 1 16 LEU HG 4.295 . 6.601 4.918 4.716 5.112 . 0 0 "[ . 1 . 2]" 1
244 1 15 GLN H 1 17 MET H 4.604 . 7.254 3.944 3.846 4.088 . 0 0 "[ . 1 . 2]" 1
245 1 15 GLN H 1 35 HIS HD2 6.232 . 11.086 22.457 22.137 22.872 11.786 4 20 [***+***-************] 1
246 1 15 GLN HA 1 15 GLN QB 3.345 . 4.744 2.389 2.350 2.429 . 0 0 "[ . 1 . 2]" 1
247 1 15 GLN HA 1 15 GLN QG 2.695 . 3.603 2.427 2.332 2.549 . 0 0 "[ . 1 . 2]" 1
248 1 15 GLN HA 1 16 LEU H 3.474 . 4.982 3.525 3.495 3.548 . 0 0 "[ . 1 . 2]" 1
249 1 15 GLN HA 1 18 ASN HB3 3.309 . 4.677 3.445 2.854 4.689 0.012 11 0 "[ . 1 . 2]" 1
250 1 15 GLN HA 1 18 ASN HD22 4.690 . 7.439 6.615 4.139 7.494 0.055 10 0 "[ . 1 . 2]" 1
251 1 15 GLN HA 1 19 ASP H 4.046 . 6.092 4.700 4.369 4.918 . 0 0 "[ . 1 . 2]" 1
252 1 15 GLN HA 1 35 HIS HD2 5.212 . 8.608 22.020 21.669 22.330 13.722 4 20 [***+***-************] 1
253 1 15 GLN QB 1 15 GLN QE . . 5.194 2.933 2.672 3.476 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLN QB 1 15 GLN QG 3.710 . 4.501 2.083 2.077 2.086 . 0 0 "[ . 1 . 2]" 1
255 1 15 GLN QB 1 16 LEU H 2.810 . 3.797 2.627 2.376 2.889 . 0 0 "[ . 1 . 2]" 1
256 1 15 GLN QB 1 16 LEU QD 3.670 . 5.354 4.097 3.804 4.322 . 0 0 "[ . 1 . 2]" 1
257 1 15 GLN QB 1 34 THR MG 4.443 . 6.911 16.539 15.647 17.176 10.265 4 20 [***+******-*********] 1
258 1 15 GLN QB 1 35 HIS HE1 5.732 . 9.839 20.009 19.152 20.914 11.075 4 20 [***+*-**************] 1
259 1 15 GLN QE 1 15 GLN QG . . 3.233 2.161 2.127 2.177 . 0 0 "[ . 1 . 2]" 1
260 1 15 GLN QE 1 16 LEU QD 5.760 . 9.907 5.810 5.367 6.453 . 0 0 "[ . 1 . 2]" 1
261 1 15 GLN QE 1 34 THR MG . . 5.350 18.794 17.450 19.635 14.285 18 20 [**********-******+**] 1
262 1 15 GLN QG 1 16 LEU H 3.823 . 5.650 4.114 3.875 4.322 . 0 0 "[ . 1 . 2]" 1
263 1 15 GLN QG 1 17 MET H 4.717 . 7.498 5.478 5.357 5.586 . 0 0 "[ . 1 . 2]" 1
264 1 15 GLN QG 1 35 HIS HD2 5.639 . 7.468 20.752 20.405 21.122 13.654 12 20 [*******-***+********] 1
265 1 16 LEU H 1 16 LEU HA 2.639 . 3.510 2.798 2.778 2.827 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU H 1 16 LEU QB . . 3.055 2.193 2.126 2.239 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU H 1 16 LEU QD 3.634 . 5.285 3.328 3.207 3.389 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU H 1 16 LEU HG 2.529 . 3.329 2.799 2.568 2.949 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU H 1 17 MET H 2.942 . 4.024 2.663 2.575 2.738 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU H 1 44 ILE MD 4.793 . 7.665 5.044 4.859 5.224 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU HA 1 16 LEU QB 3.048 . 4.210 2.465 2.441 2.491 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU HA 1 16 LEU QD . . 2.762 1.940 1.911 2.001 0.086 10 0 "[ . 1 . 2]" 1
273 1 16 LEU HA 1 16 LEU HG 3.061 . 4.232 2.812 2.752 2.884 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU HA 1 17 MET H 3.007 . 4.137 3.504 3.480 3.521 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU HA 1 18 ASN H 3.299 . 4.659 4.166 3.937 4.775 0.116 3 0 "[ . 1 . 2]" 1
276 1 16 LEU HA 1 19 ASP H 3.358 . 4.768 3.212 3.024 3.419 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU HA 1 19 ASP QB 2.962 . 4.059 2.437 2.190 2.652 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU HA 1 36 LEU QD 4.290 . 6.591 8.457 8.130 8.863 2.272 4 20 [***+***********-****] 1
279 1 16 LEU HA 1 44 ILE MG 4.009 . 6.018 5.953 5.878 6.047 0.029 5 0 "[ . 1 . 2]" 1
280 1 16 LEU QB 1 16 LEU QD 2.263 . 2.556 1.924 1.899 1.938 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU QB 1 17 MET H 3.134 . 4.073 2.789 2.705 2.871 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU QB 1 35 HIS HD2 5.463 . 9.193 16.156 15.731 16.684 7.491 4 20 [***+******-*********] 1
283 1 16 LEU QB 1 44 ILE H 5.156 . 8.479 4.839 4.655 5.085 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU QB 1 44 ILE MD 2.454 . 3.206 2.206 2.067 2.429 . 0 0 "[ . 1 . 2]" 1
285 1 16 LEU MD1 1 16 LEU MD2 1.843 . 2.268 2.078 2.070 2.092 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU QD 1 16 LEU HG 1.883 . 2.326 1.897 1.891 1.899 . 0 0 "[ . 1 . 2]" 1
287 1 16 LEU QD 1 17 MET H 4.372 . 6.405 4.217 4.167 4.267 . 0 0 "[ . 1 . 2]" 1
288 1 16 LEU QD 1 23 MET ME 4.298 . 4.358 4.369 4.291 4.453 0.095 10 0 "[ . 1 . 2]" 1
289 1 16 LEU QD 1 35 HIS HA 6.059 . 10.648 10.074 9.823 10.473 . 0 0 "[ . 1 . 2]" 1
290 1 16 LEU QD 1 35 HIS QB 3.482 . 3.539 8.774 8.559 9.054 5.515 4 20 [***+***********-****] 1
291 1 16 LEU QD 1 35 HIS HD2 3.495 . 5.022 12.076 11.817 12.397 7.375 10 20 [*********+-*********] 1
292 1 16 LEU QD 1 35 HIS HE1 4.952 . 8.018 12.842 12.240 13.451 5.433 4 20 [***+******-*********] 1
293 1 16 LEU QD 1 36 LEU HA 4.994 . 8.112 7.160 6.891 7.511 . 0 0 "[ . 1 . 2]" 1
294 1 16 LEU QD 1 39 LEU QD 2.610 . 3.461 5.412 5.210 5.628 2.167 10 20 [-********+**********] 1
295 1 16 LEU QD 1 40 LEU QB 3.644 . 5.304 3.445 3.294 3.650 . 0 0 "[ . 1 . 2]" 1
296 1 16 LEU QD 1 43 GLU H 5.045 . 8.227 4.537 4.370 4.776 . 0 0 "[ . 1 . 2]" 1
297 1 16 LEU QD 1 43 GLU HB2 4.500 . 7.031 3.814 3.605 4.323 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU QD 1 43 GLU QG 2.368 . 3.069 2.008 1.669 2.454 0.277 10 0 "[ . 1 . 2]" 1
299 1 16 LEU QD 1 44 ILE H 3.777 . 5.560 3.230 3.032 3.466 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU QD 1 44 ILE HA 2.814 . 3.804 2.384 2.201 2.498 . 0 0 "[ . 1 . 2]" 1
301 1 16 LEU QD 1 44 ILE MD . . 2.780 2.717 2.640 2.754 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU QD 1 44 ILE HG13 3.272 . 4.610 2.139 2.026 2.219 . 0 0 "[ . 1 . 2]" 1
303 1 16 LEU QD 1 44 ILE MG 3.500 . 4.823 3.572 3.441 3.699 . 0 0 "[ . 1 . 2]" 1
304 1 16 LEU QD 1 47 VAL H 4.287 . 6.584 4.551 4.398 4.717 . 0 0 "[ . 1 . 2]" 1
305 1 16 LEU QD 1 47 VAL HB 3.181 . 4.446 3.404 3.134 3.620 . 0 0 "[ . 1 . 2]" 1
306 1 16 LEU QD 1 47 VAL MG1 2.488 . 3.262 3.161 2.852 3.291 0.029 14 0 "[ . 1 . 2]" 1
307 1 16 LEU QD 1 47 VAL MG2 1.977 . 2.466 2.498 2.446 2.565 0.099 16 0 "[ . 1 . 2]" 1
308 1 16 LEU QD 1 48 ARG H 4.771 . 7.617 5.591 5.242 5.819 . 0 0 "[ . 1 . 2]" 1
309 1 16 LEU QD 1 51 MET ME 3.819 . 5.642 5.094 4.767 5.357 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU HG 1 17 MET H 4.723 . 7.512 4.808 4.689 4.894 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU HG 1 35 HIS HD2 3.510 . 5.050 17.877 17.622 18.287 13.237 10 20 [*********+-*********] 1
312 1 17 MET H 1 17 MET HA 2.905 . 3.960 2.818 2.791 2.835 . 0 0 "[ . 1 . 2]" 1
313 1 17 MET H 1 17 MET HB2 3.164 . 4.415 2.530 2.469 2.588 . 0 0 "[ . 1 . 2]" 1
314 1 17 MET H 1 17 MET HB3 3.480 . 4.994 3.616 3.608 3.622 . 0 0 "[ . 1 . 2]" 1
315 1 17 MET H 1 17 MET HG2 3.097 . 4.296 3.283 3.159 3.366 . 0 0 "[ . 1 . 2]" 1
316 1 17 MET H 1 17 MET HG3 2.331 . 3.010 2.327 2.188 2.425 . 0 0 "[ . 1 . 2]" 1
317 1 17 MET H 1 18 ASN H 2.595 . 3.437 2.667 2.553 2.891 . 0 0 "[ . 1 . 2]" 1
318 1 17 MET H 1 18 ASN HA 5.291 . 8.790 5.234 5.161 5.383 . 0 0 "[ . 1 . 2]" 1
319 1 17 MET H 1 18 ASN HB2 5.323 . 8.865 5.107 4.861 6.332 . 0 0 "[ . 1 . 2]" 1
320 1 17 MET H 1 18 ASN HB3 5.241 . 8.675 4.840 4.481 5.114 . 0 0 "[ . 1 . 2]" 1
321 1 17 MET H 1 19 ASP H 3.563 . 5.150 3.944 3.853 4.032 . 0 0 "[ . 1 . 2]" 1
322 1 17 MET H 1 44 ILE MD 3.805 . 5.615 4.151 3.863 4.445 . 0 0 "[ . 1 . 2]" 1
323 1 17 MET H 1 44 ILE HG13 5.893 . 10.234 6.060 5.832 6.346 . 0 0 "[ . 1 . 2]" 1
324 1 17 MET H 1 44 ILE MG 4.303 . 6.617 5.254 5.012 5.556 . 0 0 "[ . 1 . 2]" 1
325 1 17 MET HA 1 17 MET HB3 2.536 . 3.340 2.469 2.440 2.495 . 0 0 "[ . 1 . 2]" 1
326 1 17 MET HA 1 17 MET HG2 4.528 . 7.091 2.479 2.409 2.548 . 0 0 "[ . 1 . 2]" 1
327 1 17 MET HA 1 17 MET HG3 3.686 . 5.384 3.237 3.203 3.257 . 0 0 "[ . 1 . 2]" 1
328 1 17 MET HA 1 18 ASN H 3.340 . 4.734 3.538 3.505 3.593 . 0 0 "[ . 1 . 2]" 1
329 1 17 MET HA 1 20 LYS H 3.167 . 4.421 3.862 3.713 3.967 . 0 0 "[ . 1 . 2]" 1
330 1 17 MET HA 1 21 LYS H 3.528 . 5.084 4.554 4.232 4.843 . 0 0 "[ . 1 . 2]" 1
331 1 17 MET HA 1 44 ILE MD 2.703 . 3.616 3.016 2.658 3.395 . 0 0 "[ . 1 . 2]" 1
332 1 17 MET HA 1 44 ILE HG13 5.659 . 9.662 5.667 5.335 6.039 . 0 0 "[ . 1 . 2]" 1
333 1 17 MET HB2 1 17 MET HG2 2.621 . 3.480 3.000 2.993 3.005 . 0 0 "[ . 1 . 2]" 1
334 1 17 MET HB2 1 17 MET HG3 2.492 . 3.268 2.364 2.345 2.396 . 0 0 "[ . 1 . 2]" 1
335 1 17 MET HB2 1 18 ASN HB3 4.627 . 7.303 4.830 4.037 5.035 . 0 0 "[ . 1 . 2]" 1
336 1 17 MET HB2 1 18 ASN HD22 6.413 . 11.554 7.609 6.930 8.061 . 0 0 "[ . 1 . 2]" 1
337 1 17 MET HB2 1 19 ASP H 4.440 . 6.904 4.925 4.718 5.026 . 0 0 "[ . 1 . 2]" 1
338 1 17 MET HB2 1 20 LYS H 3.912 . 5.825 5.962 5.793 6.111 0.286 10 0 "[ . 1 . 2]" 1
339 1 17 MET HB3 1 18 ASN H 3.730 . 5.469 3.788 3.280 4.033 . 0 0 "[ . 1 . 2]" 1
340 1 17 MET HB3 1 18 ASN HD21 6.265 . 11.171 6.985 5.976 7.939 . 0 0 "[ . 1 . 2]" 1
341 1 17 MET HB3 1 19 ASP H 4.965 . 8.046 5.477 5.357 5.589 . 0 0 "[ . 1 . 2]" 1
342 1 17 MET ME 1 17 MET HG2 3.543 . 5.112 3.396 3.377 3.410 . 0 0 "[ . 1 . 2]" 1
343 1 17 MET ME 1 18 ASN H 3.102 . 4.305 4.254 3.615 4.391 0.086 1 0 "[ . 1 . 2]" 1
344 1 17 MET ME 1 18 ASN HD21 4.772 . 7.619 6.649 5.444 7.503 . 0 0 "[ . 1 . 2]" 1
345 1 17 MET ME 1 19 ASP H 4.642 . 7.335 6.192 6.029 6.293 . 0 0 "[ . 1 . 2]" 1
346 1 17 MET HG2 1 18 ASN HB3 5.064 . 8.270 7.344 6.838 7.513 . 0 0 "[ . 1 . 2]" 1
347 1 17 MET HG2 1 18 ASN HD21 5.932 . 10.331 8.882 8.212 9.596 . 0 0 "[ . 1 . 2]" 1
348 1 17 MET HG2 1 18 ASN HD22 6.010 . 10.525 10.175 9.330 10.574 0.049 9 0 "[ . 1 . 2]" 1
349 1 17 MET HG2 1 44 ILE MG 3.151 . 4.392 3.897 3.258 4.413 0.021 10 0 "[ . 1 . 2]" 1
350 1 17 MET HG3 1 18 ASN H 3.168 . 4.422 4.383 4.047 4.462 0.040 17 0 "[ . 1 . 2]" 1
351 1 18 ASN H 1 18 ASN HA 2.788 . 3.760 2.854 2.636 2.899 . 0 0 "[ . 1 . 2]" 1
352 1 18 ASN H 1 18 ASN HB3 2.122 . 2.685 2.457 2.283 2.660 . 0 0 "[ . 1 . 2]" 1
353 1 18 ASN H 1 18 ASN HD21 4.274 . 6.557 4.525 4.106 4.716 . 0 0 "[ . 1 . 2]" 1
354 1 18 ASN H 1 18 ASN HD22 5.792 . 9.986 5.657 4.387 5.832 . 0 0 "[ . 1 . 2]" 1
355 1 18 ASN H 1 19 ASP H 2.484 . 3.255 2.400 2.168 3.112 . 0 0 "[ . 1 . 2]" 1
356 1 18 ASN H 1 19 ASP QB 4.735 . 7.537 4.347 4.108 5.170 . 0 0 "[ . 1 . 2]" 1
357 1 18 ASN HA 1 18 ASN HB3 2.910 . 3.969 2.999 2.496 3.033 . 0 0 "[ . 1 . 2]" 1
358 1 18 ASN HA 1 18 ASN HD21 4.958 . 8.030 3.329 1.895 4.483 . 0 0 "[ . 1 . 2]" 1
359 1 18 ASN HA 1 18 ASN HD22 3.745 . 5.498 4.193 3.494 5.051 . 0 0 "[ . 1 . 2]" 1
360 1 18 ASN HA 1 19 ASP H 3.414 . 4.871 3.489 3.434 3.598 . 0 0 "[ . 1 . 2]" 1
361 1 18 ASN HA 1 20 LYS H 4.308 . 6.627 4.672 4.446 5.038 . 0 0 "[ . 1 . 2]" 1
362 1 18 ASN HA 1 21 LYS H 3.110 . 4.319 3.493 3.274 3.914 . 0 0 "[ . 1 . 2]" 1
363 1 18 ASN HA 1 21 LYS HB2 3.336 . 4.727 3.163 2.136 4.292 . 0 0 "[ . 1 . 2]" 1
364 1 18 ASN HB2 1 22 LEU QD 4.531 . 7.097 5.217 4.241 5.856 . 0 0 "[ . 1 . 2]" 1
365 1 18 ASN HB3 1 18 ASN HD21 2.807 . 3.792 2.920 2.179 3.536 . 0 0 "[ . 1 . 2]" 1
366 1 18 ASN HB3 1 18 ASN HD22 3.599 . 5.218 3.800 3.457 4.085 . 0 0 "[ . 1 . 2]" 1
367 1 18 ASN HB3 1 19 ASP H 2.975 . 4.082 3.018 2.648 4.121 0.039 11 0 "[ . 1 . 2]" 1
368 1 18 ASN HD21 1 22 LEU QD 4.249 . 6.505 3.971 2.709 5.480 . 0 0 "[ . 1 . 2]" 1
369 1 18 ASN HD22 1 22 LEU QD 3.933 . 5.867 3.112 1.991 4.515 0.008 16 0 "[ . 1 . 2]" 1
370 1 19 ASP H 1 19 ASP QB 2.481 . 3.250 2.282 2.178 2.407 . 0 0 "[ . 1 . 2]" 1
371 1 19 ASP H 1 20 LYS H 2.674 . 3.567 2.518 2.459 2.561 . 0 0 "[ . 1 . 2]" 1
372 1 19 ASP H 1 20 LYS HB3 5.171 . 8.514 5.124 4.874 5.397 . 0 0 "[ . 1 . 2]" 1
373 1 19 ASP H 1 22 LEU QB 4.647 . 7.346 4.714 4.514 5.120 . 0 0 "[ . 1 . 2]" 1
374 1 19 ASP H 1 22 LEU QD 4.265 . 6.539 5.042 4.141 5.473 . 0 0 "[ . 1 . 2]" 1
375 1 19 ASP H 1 36 LEU QD 6.544 . 11.897 9.136 8.899 9.408 . 0 0 "[ . 1 . 2]" 1
376 1 19 ASP H 1 40 LEU QD 4.550 . 5.917 3.765 3.693 3.941 . 0 0 "[ . 1 . 2]" 1
377 1 19 ASP HA 1 20 LYS H 4.092 . 6.185 3.538 3.516 3.568 . 0 0 "[ . 1 . 2]" 1
378 1 19 ASP HA 1 22 LEU H 3.365 . 4.781 3.476 3.223 3.615 . 0 0 "[ . 1 . 2]" 1
379 1 19 ASP QB 1 20 LYS H 2.841 . 3.850 2.408 2.302 2.588 . 0 0 "[ . 1 . 2]" 1
380 1 19 ASP QB 1 22 LEU QD 4.647 . 7.347 4.600 3.659 5.071 . 0 0 "[ . 1 . 2]" 1
381 1 19 ASP QB 1 33 PHE QD 5.329 . 5.936 7.999 7.545 8.406 2.470 20 20 [*******-***********+] 1
382 1 19 ASP QB 1 33 PHE QE 4.647 . 7.346 8.125 7.724 8.482 1.136 20 18 "[****.**-******* ***+]" 1
383 1 19 ASP QB 1 40 LEU QD 3.280 . 4.229 1.988 1.821 2.312 0.116 13 0 "[ . 1 . 2]" 1
384 1 19 ASP QB 1 40 LEU HG 3.506 . 4.491 3.820 3.661 4.079 . 0 0 "[ . 1 . 2]" 1
385 1 20 LYS H 1 20 LYS HA 2.721 . 3.646 2.811 2.746 2.843 . 0 0 "[ . 1 . 2]" 1
386 1 20 LYS H 1 20 LYS HB2 2.166 . 2.752 2.147 2.107 2.196 . 0 0 "[ . 1 . 2]" 1
387 1 20 LYS H 1 20 LYS HB3 2.906 . 3.962 2.964 2.833 3.138 . 0 0 "[ . 1 . 2]" 1
388 1 20 LYS H 1 20 LYS QD 3.928 . 5.857 4.461 4.230 4.561 . 0 0 "[ . 1 . 2]" 1
389 1 20 LYS H 1 20 LYS HE2 5.685 . 9.725 5.989 4.926 7.004 . 0 0 "[ . 1 . 2]" 1
390 1 20 LYS H 1 21 LYS H 2.517 . 3.309 2.646 2.532 2.888 . 0 0 "[ . 1 . 2]" 1
391 1 20 LYS H 1 22 LEU QD 4.851 . 7.792 5.727 5.035 6.070 . 0 0 "[ . 1 . 2]" 1
392 1 20 LYS H 1 33 PHE QE 5.481 . 9.237 10.816 10.103 11.271 2.034 13 20 [****-*******+*******] 1
393 1 20 LYS H 1 40 LEU QD 2.392 . 3.107 2.385 2.316 2.497 . 0 0 "[ . 1 . 2]" 1
394 1 20 LYS H 1 40 LEU HG 3.280 . 4.625 4.824 4.785 4.906 0.281 13 0 "[ . 1 . 2]" 1
395 1 20 LYS H 1 44 ILE MD 3.645 . 5.306 3.301 3.056 3.584 . 0 0 "[ . 1 . 2]" 1
396 1 20 LYS HA 1 20 LYS HB3 2.579 . 3.411 2.969 2.921 3.006 . 0 0 "[ . 1 . 2]" 1
397 1 20 LYS HA 1 20 LYS QD 2.611 . 3.463 2.498 1.854 2.789 . 0 0 "[ . 1 . 2]" 1
398 1 20 LYS HA 1 21 LYS H 3.023 . 4.166 3.465 3.412 3.587 . 0 0 "[ . 1 . 2]" 1
399 1 20 LYS HA 1 23 MET ME 2.375 . 3.080 2.108 1.952 2.229 . 0 0 "[ . 1 . 2]" 1
400 1 20 LYS HA 1 36 LEU QD 4.016 . 6.032 7.471 7.107 7.684 1.652 4 20 [***+*********-******] 1
401 1 20 LYS HB2 1 20 LYS QD 3.318 . 4.694 3.400 3.300 3.479 . 0 0 "[ . 1 . 2]" 1
402 1 20 LYS HB2 1 21 LYS H 3.132 . 4.358 3.737 3.632 3.834 . 0 0 "[ . 1 . 2]" 1
403 1 20 LYS HB2 1 23 MET ME 2.879 . 3.915 3.937 3.806 4.005 0.090 10 0 "[ . 1 . 2]" 1
404 1 20 LYS HB2 1 44 ILE MD 2.144 . 2.719 2.091 1.944 2.268 . 0 0 "[ . 1 . 2]" 1
405 1 20 LYS HB3 1 21 LYS H 2.655 . 3.536 3.083 2.636 3.246 . 0 0 "[ . 1 . 2]" 1
406 1 20 LYS HB3 1 23 MET H 4.193 . 6.390 5.689 5.560 5.811 . 0 0 "[ . 1 . 2]" 1
407 1 20 LYS QD 1 21 LYS H 3.118 . 4.333 4.229 3.715 4.367 0.034 19 0 "[ . 1 . 2]" 1
408 1 20 LYS QD 1 23 MET QB 4.097 . 6.195 4.349 3.469 4.978 . 0 0 "[ . 1 . 2]" 1
409 1 20 LYS QD 1 24 SER H 4.054 . 6.108 4.098 3.738 4.379 . 0 0 "[ . 1 . 2]" 1
410 1 20 LYS QD 1 44 ILE MD 3.879 . 5.760 3.962 3.756 4.192 . 0 0 "[ . 1 . 2]" 1
411 1 20 LYS QG 1 36 LEU QD 4.285 . 6.580 7.218 6.873 7.529 0.949 12 16 "[**-*** *** +* *** **]" 1
412 1 20 LYS QG 1 40 LEU QB 2.921 . 3.130 2.145 1.828 2.449 0.026 7 0 "[ . 1 . 2]" 1
413 1 20 LYS QG 1 40 LEU QD 3.183 . 4.449 2.234 2.002 2.410 . 0 0 "[ . 1 . 2]" 1
414 1 20 LYS QG 1 44 ILE MD 2.047 . 2.571 2.193 1.959 2.447 . 0 0 "[ . 1 . 2]" 1
415 1 21 LYS H 1 21 LYS HA 2.700 . 3.612 2.902 2.878 2.915 . 0 0 "[ . 1 . 2]" 1
416 1 21 LYS H 1 21 LYS HB3 2.191 . 2.791 3.003 2.416 3.646 0.855 16 9 "[** *.* 1* **.+ -2]" 1
417 1 21 LYS H 1 22 LEU QD 5.129 . 8.417 5.067 4.481 5.312 . 0 0 "[ . 1 . 2]" 1
418 1 21 LYS H 1 33 PHE QD 5.471 . 9.212 10.890 10.319 11.294 2.082 4 20 [***+*********-******] 1
419 1 21 LYS H 1 40 LEU QD 4.839 . 7.766 4.268 4.179 4.385 . 0 0 "[ . 1 . 2]" 1
420 1 21 LYS HA 1 24 SER H 3.269 . 4.605 3.378 3.088 3.723 . 0 0 "[ . 1 . 2]" 1
421 1 21 LYS HB3 1 22 LEU H 2.229 . 2.850 2.953 2.349 3.654 0.804 16 7 "[-* *.* 1* *.+ 2]" 1
422 1 22 LEU H 1 22 LEU HA 2.721 . 3.647 2.780 2.740 2.816 . 0 0 "[ . 1 . 2]" 1
423 1 22 LEU H 1 22 LEU QB 2.702 . 3.491 2.201 2.020 2.440 . 0 0 "[ . 1 . 2]" 1
424 1 22 LEU H 1 22 LEU QD 4.274 . 5.906 3.569 3.075 3.733 . 0 0 "[ . 1 . 2]" 1
425 1 22 LEU H 1 22 LEU HG 3.564 . 5.151 3.903 2.302 4.491 . 0 0 "[ . 1 . 2]" 1
426 1 22 LEU H 1 24 SER H 4.143 . 6.288 4.101 3.947 4.260 . 0 0 "[ . 1 . 2]" 1
427 1 22 LEU H 1 33 PHE QD 4.773 . 7.621 10.268 9.628 10.735 3.114 3 20 [**+**********-******] 1
428 1 22 LEU H 1 33 PHE QE 4.775 . 7.625 10.264 9.334 10.783 3.158 12 20 [***********+*-******] 1
429 1 22 LEU HA 1 22 LEU QB 2.508 . 3.294 2.420 2.348 2.521 . 0 0 "[ . 1 . 2]" 1
430 1 22 LEU HA 1 22 LEU QD 3.044 . 4.203 2.516 1.981 3.094 . 0 0 "[ . 1 . 2]" 1
431 1 22 LEU HA 1 22 LEU HG 2.895 . 3.943 2.635 2.348 3.078 . 0 0 "[ . 1 . 2]" 1
432 1 22 LEU HA 1 25 SER H 2.954 . 4.044 3.485 3.313 3.692 . 0 0 "[ . 1 . 2]" 1
433 1 22 LEU QB 1 22 LEU QD 2.220 . 2.836 1.909 1.872 1.944 0.020 15 0 "[ . 1 . 2]" 1
434 1 22 LEU QB 1 22 LEU HG 2.508 . 2.927 2.428 2.354 2.493 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU QB 1 23 MET H 3.755 . 5.517 2.589 2.409 2.719 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU QB 1 33 PHE QD 3.578 . 5.179 8.097 7.017 8.793 3.614 3 20 [**+***************-*] 1
437 1 22 LEU QB 1 33 PHE QE 4.634 . 5.383 7.682 6.588 8.435 3.052 8 20 [*******+*****-******] 1
438 1 22 LEU QB 1 33 PHE HZ 5.042 . 8.220 9.584 8.208 10.585 2.365 8 18 "[*******+***** ** *-*]" 1
439 1 22 LEU MD1 1 22 LEU MD2 1.771 . 2.163 2.076 2.069 2.085 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU QD 1 22 LEU HG 2.076 . 2.615 1.895 1.890 1.898 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU QD 1 23 MET H 3.487 . 5.007 3.714 3.155 4.185 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU QD 1 23 MET QG 4.413 . 6.847 4.522 3.265 5.287 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU QD 1 32 ILE HB 3.708 . 3.780 9.589 8.731 10.811 7.031 16 20 [*-*************+****] 1
444 1 22 LEU QD 1 32 ILE QG 4.510 . 7.052 7.495 6.798 8.372 1.320 14 7 "[* .-* 1 +.** *2]" 1
445 1 22 LEU QD 1 32 ILE MG 2.965 . 3.310 8.269 7.328 9.399 6.089 16 20 [*-*************+****] 1
446 1 22 LEU QD 1 33 PHE H 4.919 . 7.944 10.034 8.750 11.340 3.396 16 20 [*-*************+****] 1
447 1 22 LEU QD 1 33 PHE HA 3.965 . 5.930 10.580 9.897 11.416 5.486 17 20 [**************-*+***] 1
448 1 22 LEU QD 1 33 PHE QD 3.801 . 5.578 7.003 6.500 7.837 2.259 1 20 [+*******-***********] 1
449 1 22 LEU QD 1 33 PHE QE 3.295 . 4.652 6.275 5.633 7.269 2.617 1 20 [+*************-*****] 1
450 1 22 LEU QD 1 33 PHE HZ 4.745 . 7.212 7.659 6.600 8.745 1.533 1 10 "[+ *. *- 1 ***.** *2]" 1
451 1 22 LEU HG 1 33 PHE QE 4.759 . 7.316 9.393 7.155 10.756 3.440 1 18 "[+**** -**1**********]" 1
452 1 23 MET H 1 23 MET HA 2.591 . 3.430 2.823 2.789 2.842 . 0 0 "[ . 1 . 2]" 1
453 1 23 MET H 1 23 MET QB 2.253 . 2.888 2.433 2.273 2.530 . 0 0 "[ . 1 . 2]" 1
454 1 23 MET H 1 23 MET ME 3.446 . 4.931 3.425 3.273 3.610 . 0 0 "[ . 1 . 2]" 1
455 1 23 MET H 1 23 MET QG 2.008 . 2.512 2.236 2.044 2.552 0.040 5 0 "[ . 1 . 2]" 1
456 1 23 MET H 1 24 SER H 2.730 . 3.662 2.574 2.472 2.692 . 0 0 "[ . 1 . 2]" 1
457 1 23 MET H 1 24 SER HA 5.447 . 9.155 5.196 5.108 5.302 . 0 0 "[ . 1 . 2]" 1
458 1 23 MET H 1 25 SER H 3.939 . 5.879 3.918 3.837 4.040 . 0 0 "[ . 1 . 2]" 1
459 1 23 MET H 1 26 LEU H 5.133 . 8.427 5.058 4.860 5.334 . 0 0 "[ . 1 . 2]" 1
460 1 23 MET H 1 26 LEU QD 3.847 . 5.697 4.287 4.042 4.486 . 0 0 "[ . 1 . 2]" 1
461 1 23 MET H 1 33 PHE QD 4.008 . 6.016 7.786 6.945 8.286 2.270 3 20 [**+**********-******] 1
462 1 23 MET H 1 33 PHE QE 4.589 . 6.573 8.044 6.902 8.811 2.238 12 18 "[****.******+* **-***]" 1
463 1 23 MET H 1 33 PHE HZ 5.346 . 8.918 10.430 9.168 11.402 2.484 12 18 "[****.******+* **-***]" 1
464 1 23 MET HA 1 23 MET QB 2.242 . 2.870 2.268 2.178 2.450 . 0 0 "[ . 1 . 2]" 1
465 1 23 MET HA 1 23 MET ME 3.742 . 5.492 4.266 4.137 4.515 . 0 0 "[ . 1 . 2]" 1
466 1 23 MET HA 1 26 LEU QD 2.750 . 3.695 2.347 2.122 2.639 . 0 0 "[ . 1 . 2]" 1
467 1 23 MET HA 1 29 PHE QD 4.639 . 7.329 3.832 3.357 4.248 . 0 0 "[ . 1 . 2]" 1
468 1 23 MET HA 1 29 PHE QE 4.910 . 7.924 4.655 4.392 4.943 . 0 0 "[ . 1 . 2]" 1
469 1 23 MET HA 1 33 PHE QE 4.245 . 6.338 6.205 4.767 7.127 0.789 8 4 "[ -. + 1 ** . 2]" 1
470 1 23 MET HA 1 33 PHE HZ 3.306 . 4.672 8.580 7.143 9.505 4.833 12 20 [***********+*-******] 1
471 1 23 MET QB 1 23 MET ME 1.910 . 2.366 1.994 1.893 2.168 . 0 0 "[ . 1 . 2]" 1
472 1 23 MET QB 1 24 SER H 3.290 . 4.643 3.263 2.700 3.583 . 0 0 "[ . 1 . 2]" 1
473 1 23 MET QB 1 24 SER HA 4.750 . 7.571 4.248 3.875 4.479 . 0 0 "[ . 1 . 2]" 1
474 1 23 MET QB 1 24 SER HB2 4.699 . 7.459 5.010 3.964 6.204 . 0 0 "[ . 1 . 2]" 1
475 1 23 MET QB 1 26 LEU QD 3.460 . 4.957 3.665 3.211 4.118 . 0 0 "[ . 1 . 2]" 1
476 1 23 MET QB 1 29 PHE QD . . 5.118 2.893 2.071 3.235 . 0 0 "[ . 1 . 2]" 1
477 1 23 MET QB 1 29 PHE QE 4.782 . 5.408 2.783 2.045 3.009 . 0 0 "[ . 1 . 2]" 1
478 1 23 MET QB 1 33 PHE QD 3.588 . 5.197 4.785 4.163 5.434 0.237 12 0 "[ . 1 . 2]" 1
479 1 23 MET QB 1 33 PHE QE 4.250 . 6.508 5.624 4.959 6.829 0.321 12 0 "[ . 1 . 2]" 1
480 1 23 MET QB 1 33 PHE HZ 3.707 . 5.425 7.784 6.678 9.069 3.644 12 20 [***********+**-*****] 1
481 1 23 MET QB 1 36 LEU QD 3.886 . 4.404 5.830 5.546 6.135 1.731 12 20 [***********+-*******] 1
482 1 23 MET ME 1 23 MET QG 2.181 . 2.776 2.442 2.372 2.473 . 0 0 "[ . 1 . 2]" 1
483 1 23 MET ME 1 24 SER H 4.569 . 7.178 4.586 4.217 4.788 . 0 0 "[ . 1 . 2]" 1
484 1 23 MET ME 1 24 SER HB2 4.650 . 7.352 5.948 5.073 7.321 . 0 0 "[ . 1 . 2]" 1
485 1 23 MET ME 1 25 SER H 4.687 . 7.433 6.334 6.212 6.467 . 0 0 "[ . 1 . 2]" 1
486 1 23 MET ME 1 29 PHE HB2 4.231 . 6.468 6.046 5.459 6.487 0.019 12 0 "[ . 1 . 2]" 1
487 1 23 MET ME 1 29 PHE QD 4.252 . 6.512 4.623 4.167 5.060 . 0 0 "[ . 1 . 2]" 1
488 1 23 MET ME 1 29 PHE QE 3.530 . 5.087 3.419 2.898 3.838 . 0 0 "[ . 1 . 2]" 1
489 1 23 MET ME 1 29 PHE HZ 2.460 . 3.217 3.166 2.773 3.405 0.188 10 0 "[ . 1 . 2]" 1
490 1 23 MET ME 1 33 PHE QB 3.617 . 5.252 5.337 4.800 5.785 0.533 3 1 "[ + . 1 . 2]" 1
491 1 23 MET ME 1 33 PHE QD 3.657 . 5.329 5.165 4.784 5.673 0.344 12 0 "[ . 1 . 2]" 1
492 1 23 MET ME 1 33 PHE QE 4.521 . 7.076 5.984 5.585 6.985 . 0 0 "[ . 1 . 2]" 1
493 1 23 MET ME 1 33 PHE HZ 4.363 . 6.076 7.822 7.024 8.937 2.861 12 20 [***********+**-*****] 1
494 1 23 MET ME 1 36 LEU QD 1.881 . 2.113 4.379 4.191 4.565 2.452 10 20 [*********+***-******] 1
495 1 23 MET ME 1 36 LEU HG 2.108 . 2.663 5.626 5.211 6.328 3.665 12 20 [******-****+********] 1
496 1 23 MET ME 1 37 GLU HA 2.628 . 3.491 3.007 2.270 3.454 . 0 0 "[ . 1 . 2]" 1
497 1 23 MET ME 1 40 LEU QD 2.065 . 2.598 2.239 1.925 2.395 . 0 0 "[ . 1 . 2]" 1
498 1 23 MET QG 1 25 SER H 3.976 . 5.952 4.649 4.212 5.417 . 0 0 "[ . 1 . 2]" 1
499 1 23 MET QG 1 29 PHE QD 4.298 . 6.607 3.707 3.233 4.115 . 0 0 "[ . 1 . 2]" 1
500 1 23 MET QG 1 29 PHE QE 4.595 . 7.234 3.415 2.845 3.764 . 0 0 "[ . 1 . 2]" 1
501 1 23 MET QG 1 33 PHE HZ 5.838 . 10.098 8.622 5.565 10.407 0.309 13 0 "[ . 1 . 2]" 1
502 1 24 SER H 1 24 SER HA 2.865 . 3.891 2.861 2.824 2.884 . 0 0 "[ . 1 . 2]" 1
503 1 24 SER H 1 24 SER HB2 2.287 . 2.941 2.722 2.399 3.577 0.636 12 4 "[ * . -1 + . *2]" 1
504 1 24 SER H 1 24 SER HB3 2.650 . 3.528 2.777 2.495 3.596 0.068 7 0 "[ . 1 . 2]" 1
505 1 24 SER H 1 26 LEU H 3.756 . 5.519 3.964 3.876 4.136 . 0 0 "[ . 1 . 2]" 1
506 1 24 SER H 1 26 LEU QD 4.848 . 7.786 4.996 4.858 5.143 . 0 0 "[ . 1 . 2]" 1
507 1 24 SER H 1 29 PHE HZ 4.754 . 7.579 6.864 6.153 7.521 . 0 0 "[ . 1 . 2]" 1
508 1 24 SER HA 1 24 SER HB2 2.653 . 3.533 2.593 2.472 3.027 . 0 0 "[ . 1 . 2]" 1
509 1 24 SER HA 1 25 SER H 2.991 . 4.109 3.356 3.219 3.454 . 0 0 "[ . 1 . 2]" 1
510 1 25 SER H 1 25 SER HA 2.876 . 3.910 2.927 2.891 2.944 . 0 0 "[ . 1 . 2]" 1
511 1 25 SER H 1 25 SER HB2 2.243 . 2.872 2.769 2.550 3.636 0.764 18 1 "[ . 1 . + 2]" 1
512 1 25 SER H 1 26 LEU H 2.309 . 2.975 2.162 1.881 2.347 . 0 0 "[ . 1 . 2]" 1
513 1 25 SER H 1 26 LEU QB 4.732 . 7.531 4.147 3.971 4.389 . 0 0 "[ . 1 . 2]" 1
514 1 25 SER H 1 26 LEU HG 3.920 . 5.841 3.586 3.310 3.743 . 0 0 "[ . 1 . 2]" 1
515 1 25 SER HA 1 25 SER HB2 2.820 . 3.814 2.610 2.474 3.030 . 0 0 "[ . 1 . 2]" 1
516 1 25 SER HA 1 26 LEU H 3.328 . 4.713 3.284 3.202 3.320 . 0 0 "[ . 1 . 2]" 1
517 1 25 SER HB2 1 26 LEU H 3.125 . 4.346 4.061 3.347 4.350 0.004 13 0 "[ . 1 . 2]" 1
518 1 26 LEU H 1 26 LEU HA 2.725 . 3.653 2.924 2.842 2.943 . 0 0 "[ . 1 . 2]" 1
519 1 26 LEU H 1 26 LEU QB 3.125 . 3.157 2.450 2.318 2.571 . 0 0 "[ . 1 . 2]" 1
520 1 26 LEU H 1 26 LEU QD 3.342 . 4.738 3.294 3.135 3.431 . 0 0 "[ . 1 . 2]" 1
521 1 26 LEU H 1 26 LEU HG 2.876 . 3.910 2.709 2.455 2.904 . 0 0 "[ . 1 . 2]" 1
522 1 26 LEU H 1 27 PRO HD2 4.819 . 7.722 5.068 4.768 5.487 . 0 0 "[ . 1 . 2]" 1
523 1 26 LEU H 1 29 PHE HB3 4.663 . 7.381 4.128 3.858 4.689 . 0 0 "[ . 1 . 2]" 1
524 1 26 LEU HA 1 26 LEU QB 3.084 . 3.701 2.371 2.319 2.418 . 0 0 "[ . 1 . 2]" 1
525 1 26 LEU HA 1 26 LEU QD 3.000 . 4.125 2.028 1.920 2.136 . 0 0 "[ . 1 . 2]" 1
526 1 26 LEU HA 1 26 LEU HG 2.489 . 3.263 3.129 2.989 3.268 0.005 9 0 "[ . 1 . 2]" 1
527 1 26 LEU HA 1 27 PRO HB2 4.670 . 7.396 5.325 5.035 5.511 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU HA 1 27 PRO HD2 2.877 . 3.912 2.371 2.084 3.086 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU HA 1 27 PRO HD3 2.541 . 3.348 2.099 1.828 2.395 . 0 0 "[ . 1 . 2]" 1
530 1 26 LEU HA 1 27 PRO HG3 5.574 . 9.458 4.233 3.826 4.418 . 0 0 "[ . 1 . 2]" 1
531 1 26 LEU HA 1 29 PHE QD 6.190 . 10.979 6.330 6.053 6.577 . 0 0 "[ . 1 . 2]" 1
532 1 26 LEU QB 1 26 LEU QD 2.401 . 3.015 1.948 1.933 1.965 . 0 0 "[ . 1 . 2]" 1
533 1 26 LEU QB 1 26 LEU HG 2.025 . 2.538 2.354 2.308 2.384 . 0 0 "[ . 1 . 2]" 1
534 1 26 LEU QB 1 27 PRO HD3 4.856 . 6.980 3.926 3.010 4.235 . 0 0 "[ . 1 . 2]" 1
535 1 26 LEU QB 1 28 ASN H 2.923 . 3.991 2.848 2.470 3.811 . 0 0 "[ . 1 . 2]" 1
536 1 26 LEU QB 1 28 ASN QD 3.237 . 4.547 3.509 1.815 4.105 0.179 15 0 "[ . 1 . 2]" 1
537 1 26 LEU QB 1 29 PHE H 3.375 . 4.799 2.635 2.291 3.291 . 0 0 "[ . 1 . 2]" 1
538 1 26 LEU QB 1 29 PHE HB2 3.680 . 5.373 2.055 1.853 2.279 0.134 8 0 "[ . 1 . 2]" 1
539 1 26 LEU QB 1 29 PHE HB3 5.061 . 6.454 2.820 2.292 3.602 . 0 0 "[ . 1 . 2]" 1
540 1 26 LEU QB 1 29 PHE QD 5.021 . 6.807 3.731 3.371 3.914 . 0 0 "[ . 1 . 2]" 1
541 1 26 LEU QB 1 29 PHE QE 4.851 . 7.793 5.401 5.178 5.617 . 0 0 "[ . 1 . 2]" 1
542 1 26 LEU QB 1 33 PHE HZ 4.118 . 6.238 7.662 6.498 8.459 2.221 8 17 "[****.**+***** .*-***]" 1
543 1 26 LEU QD 1 27 PRO HD2 3.778 . 5.562 3.237 2.872 3.709 . 0 0 "[ . 1 . 2]" 1
544 1 26 LEU QD 1 27 PRO HD3 4.070 . 6.140 3.427 2.431 3.874 . 0 0 "[ . 1 . 2]" 1
545 1 26 LEU QD 1 28 ASN QD 3.732 . 5.473 3.245 1.807 4.107 0.184 13 0 "[ . 1 . 2]" 1
546 1 26 LEU QD 1 29 PHE H 4.401 . 6.822 3.958 3.627 4.537 . 0 0 "[ . 1 . 2]" 1
547 1 26 LEU QD 1 29 PHE HA 3.752 . 5.512 4.248 3.888 4.773 . 0 0 "[ . 1 . 2]" 1
548 1 26 LEU QD 1 29 PHE HB2 3.608 . 5.235 2.889 2.359 3.472 . 0 0 "[ . 1 . 2]" 1
549 1 26 LEU QD 1 29 PHE HB3 4.849 . 7.788 4.107 3.561 4.839 . 0 0 "[ . 1 . 2]" 1
550 1 26 LEU QD 1 29 PHE QD 3.349 . 4.751 3.521 3.066 3.767 . 0 0 "[ . 1 . 2]" 1
551 1 26 LEU QD 1 29 PHE QE 3.641 . 5.298 4.803 4.192 4.974 . 0 0 "[ . 1 . 2]" 1
552 1 26 LEU QD 1 29 PHE HZ 4.185 . 6.375 6.191 5.668 6.332 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU QD 1 32 ILE HB 2.495 . 3.273 6.688 5.515 7.748 4.475 12 20 [***********+*-******] 1
554 1 26 LEU QD 1 32 ILE MD 2.541 . 3.348 3.567 2.625 4.469 1.121 12 8 "[ .** - +* ** *2]" 1
555 1 26 LEU QD 1 32 ILE MG . . 3.348 5.510 4.548 6.511 3.163 12 20 [***********+****-***] 1
556 1 26 LEU QD 1 33 PHE QD 3.377 . 4.802 4.932 4.159 5.264 0.462 3 0 "[ . 1 . 2]" 1
557 1 26 LEU QD 1 33 PHE HZ 2.624 . 3.484 5.764 4.501 6.567 3.083 12 20 [****-******+********] 1
558 1 26 LEU HG 1 27 PRO HD3 3.745 . 5.498 5.140 4.460 5.533 0.035 9 0 "[ . 1 . 2]" 1
559 1 26 LEU HG 1 33 PHE QD 4.890 . 7.879 7.784 6.746 8.259 0.380 8 0 "[ . 1 . 2]" 1
560 1 27 PRO HA 1 27 PRO HB3 2.617 . 3.473 2.295 2.266 2.331 . 0 0 "[ . 1 . 2]" 1
561 1 27 PRO HA 1 27 PRO HD3 3.657 . 5.328 3.801 3.703 4.065 . 0 0 "[ . 1 . 2]" 1
562 1 27 PRO HA 1 28 ASN H 2.973 . 4.078 3.333 2.309 3.504 . 0 0 "[ . 1 . 2]" 1
563 1 27 PRO HA 1 29 PHE HB2 4.062 . 6.124 5.759 5.053 6.137 0.013 20 0 "[ . 1 . 2]" 1
564 1 27 PRO HA 1 29 PHE HB3 3.715 . 5.440 4.895 4.585 5.556 0.116 15 0 "[ . 1 . 2]" 1
565 1 27 PRO HB2 1 28 ASN H 4.116 . 6.234 3.594 2.940 4.189 . 0 0 "[ . 1 . 2]" 1
566 1 27 PRO HB3 1 27 PRO HD2 4.011 . 6.022 3.885 3.869 3.905 . 0 0 "[ . 1 . 2]" 1
567 1 27 PRO HB3 1 27 PRO HD3 3.691 . 5.394 3.501 3.070 4.055 . 0 0 "[ . 1 . 2]" 1
568 1 27 PRO HB3 1 27 PRO HG2 2.278 . 2.927 2.864 2.673 2.989 0.062 12 0 "[ . 1 . 2]" 1
569 1 27 PRO HB3 1 28 ASN H 4.065 . 6.131 4.346 4.171 4.555 . 0 0 "[ . 1 . 2]" 1
570 1 27 PRO HD2 1 27 PRO HG2 2.711 . 3.630 2.296 2.268 2.325 . 0 0 "[ . 1 . 2]" 1
571 1 27 PRO HD2 1 27 PRO HG3 2.444 . 3.191 2.857 2.739 2.998 . 0 0 "[ . 1 . 2]" 1
572 1 27 PRO HD2 1 28 ASN H 3.429 . 4.898 2.637 2.397 4.105 . 0 0 "[ . 1 . 2]" 1
573 1 27 PRO HD2 1 28 ASN HA 3.553 . 5.131 5.153 5.047 5.297 0.166 15 0 "[ . 1 . 2]" 1
574 1 27 PRO HD2 1 28 ASN QD 3.799 . 5.603 3.618 2.380 5.170 . 0 0 "[ . 1 . 2]" 1
575 1 27 PRO HD3 1 27 PRO HG2 2.575 . 3.404 2.838 2.668 2.967 . 0 0 "[ . 1 . 2]" 1
576 1 27 PRO HD3 1 27 PRO HG3 2.584 . 3.419 2.298 2.280 2.323 . 0 0 "[ . 1 . 2]" 1
577 1 27 PRO HD3 1 28 ASN H 4.743 . 7.555 3.808 3.681 4.951 . 0 0 "[ . 1 . 2]" 1
578 1 27 PRO HD3 1 28 ASN QD 5.996 . 10.491 5.103 3.511 6.569 . 0 0 "[ . 1 . 2]" 1
579 1 27 PRO HD3 1 29 PHE H 4.837 . 7.762 5.231 5.036 5.585 . 0 0 "[ . 1 . 2]" 1
580 1 27 PRO HG2 1 28 ASN H 4.826 . 7.738 3.608 2.667 5.082 . 0 0 "[ . 1 . 2]" 1
581 1 27 PRO HG3 1 28 ASN H 3.500 . 5.031 4.464 4.030 5.562 0.531 15 1 "[ . 1 + 2]" 1
582 1 28 ASN H 1 28 ASN HA 2.426 . 3.162 2.898 2.630 2.941 . 0 0 "[ . 1 . 2]" 1
583 1 28 ASN H 1 28 ASN HB2 3.240 . 4.552 3.203 2.364 4.242 . 0 0 "[ . 1 . 2]" 1
584 1 28 ASN H 1 28 ASN HB3 3.292 . 4.647 3.225 2.769 3.728 . 0 0 "[ . 1 . 2]" 1
585 1 28 ASN H 1 28 ASN QD 3.878 . 5.758 3.162 2.293 4.090 . 0 0 "[ . 1 . 2]" 1
586 1 28 ASN H 1 29 PHE H 2.712 . 3.631 2.195 1.734 2.382 0.059 15 0 "[ . 1 . 2]" 1
587 1 28 ASN H 1 29 PHE HB2 5.372 . 8.980 4.356 3.757 4.697 . 0 0 "[ . 1 . 2]" 1
588 1 28 ASN H 1 29 PHE QD 6.907 . 12.870 5.856 5.319 6.100 . 0 0 "[ . 1 . 2]" 1
589 1 28 ASN HA 1 28 ASN HB2 2.867 . 3.894 2.697 2.392 3.030 . 0 0 "[ . 1 . 2]" 1
590 1 28 ASN HA 1 28 ASN HB3 2.808 . 3.793 2.469 2.355 2.572 . 0 0 "[ . 1 . 2]" 1
591 1 28 ASN HA 1 28 ASN QD 4.873 . 7.842 3.944 3.476 4.322 . 0 0 "[ . 1 . 2]" 1
592 1 28 ASN HA 1 29 PHE H 2.806 . 3.790 3.359 3.100 3.462 . 0 0 "[ . 1 . 2]" 1
593 1 28 ASN HA 1 32 ILE H 3.675 . 5.363 5.046 4.541 5.374 0.011 12 0 "[ . 1 . 2]" 1
594 1 28 ASN HB2 1 28 ASN QD 3.045 . 4.158 2.424 2.156 3.322 . 0 0 "[ . 1 . 2]" 1
595 1 28 ASN HB2 1 29 PHE H 4.375 . 6.767 3.753 2.965 4.413 . 0 0 "[ . 1 . 2]" 1
596 1 28 ASN HB2 1 32 ILE MD 3.646 . 5.308 3.275 2.597 4.263 . 0 0 "[ . 1 . 2]" 1
597 1 28 ASN HB3 1 28 ASN QD 3.295 . 4.652 2.874 2.187 3.279 . 0 0 "[ . 1 . 2]" 1
598 1 28 ASN HB3 1 29 PHE H 4.280 . 6.570 4.143 3.785 4.494 . 0 0 "[ . 1 . 2]" 1
599 1 28 ASN HB3 1 32 ILE MD 3.689 . 5.390 3.911 2.608 4.884 . 0 0 "[ . 1 . 2]" 1
600 1 28 ASN QD 1 32 ILE MD 4.209 . 6.423 3.911 1.935 5.744 0.060 1 0 "[ . 1 . 2]" 1
601 1 29 PHE H 1 29 PHE HA 2.480 . 3.249 2.819 2.735 2.902 . 0 0 "[ . 1 . 2]" 1
602 1 29 PHE H 1 29 PHE HB2 2.321 . 2.994 2.559 2.463 2.647 . 0 0 "[ . 1 . 2]" 1
603 1 29 PHE H 1 29 PHE HB3 2.577 . 3.407 2.537 2.385 2.749 . 0 0 "[ . 1 . 2]" 1
604 1 29 PHE H 1 29 PHE QD 4.344 . 6.703 4.176 4.149 4.217 . 0 0 "[ . 1 . 2]" 1
605 1 29 PHE H 1 29 PHE QE 5.501 . 9.284 6.208 6.173 6.246 . 0 0 "[ . 1 . 2]" 1
606 1 29 PHE H 1 29 PHE HZ 5.194 . 8.566 7.869 7.821 7.914 . 0 0 "[ . 1 . 2]" 1
607 1 29 PHE H 1 30 SER H 2.849 . 3.863 3.240 2.734 4.057 0.194 2 0 "[ . 1 . 2]" 1
608 1 29 PHE H 1 32 ILE MD 4.588 . 7.219 3.914 3.479 4.765 . 0 0 "[ . 1 . 2]" 1
609 1 29 PHE HA 1 29 PHE HB2 2.549 . 3.361 2.462 2.376 2.606 . 0 0 "[ . 1 . 2]" 1
610 1 29 PHE HA 1 29 PHE QD 3.407 . 4.858 2.507 1.944 2.889 0.012 11 0 "[ . 1 . 2]" 1
611 1 29 PHE HA 1 29 PHE QE 4.152 . 6.307 4.513 4.269 4.754 . 0 0 "[ . 1 . 2]" 1
612 1 29 PHE HA 1 32 ILE H 3.355 . 4.762 3.413 3.074 3.600 . 0 0 "[ . 1 . 2]" 1
613 1 29 PHE HA 1 32 ILE HB 5.430 . 9.116 5.050 4.633 5.791 . 0 0 "[ . 1 . 2]" 1
614 1 29 PHE HA 1 32 ILE MD 3.073 . 4.253 2.348 1.872 3.492 0.021 7 0 "[ . 1 . 2]" 1
615 1 29 PHE HA 1 32 ILE MG 4.848 . 7.786 4.165 3.632 4.839 . 0 0 "[ . 1 . 2]" 1
616 1 29 PHE HB2 1 29 PHE QD 3.173 . 4.431 2.553 2.423 2.757 . 0 0 "[ . 1 . 2]" 1
617 1 29 PHE HB2 1 29 PHE QE 4.182 . 6.368 4.443 4.412 4.491 . 0 0 "[ . 1 . 2]" 1
618 1 29 PHE HB2 1 30 SER H 4.003 . 6.006 4.039 3.347 4.532 . 0 0 "[ . 1 . 2]" 1
619 1 29 PHE HB2 1 30 SER HB3 5.456 . 9.177 6.588 5.893 7.522 . 0 0 "[ . 1 . 2]" 1
620 1 29 PHE HB3 1 29 PHE QD 3.199 . 4.478 2.293 2.258 2.347 . 0 0 "[ . 1 . 2]" 1
621 1 29 PHE HB3 1 29 PHE QE 4.281 . 6.571 4.374 4.356 4.388 . 0 0 "[ . 1 . 2]" 1
622 1 29 PHE HB3 1 30 SER H 2.953 . 4.043 3.070 2.061 4.322 0.279 3 0 "[ . 1 . 2]" 1
623 1 29 PHE QD 1 30 SER H 4.587 . 7.217 3.556 2.008 4.345 . 0 0 "[ . 1 . 2]" 1
624 1 29 PHE QD 1 30 SER HA 4.034 . 6.068 4.014 3.184 4.877 . 0 0 "[ . 1 . 2]" 1
625 1 29 PHE QD 1 32 ILE MD 5.111 . 8.376 2.926 1.985 3.974 . 0 0 "[ . 1 . 2]" 1
626 1 29 PHE QD 1 33 PHE QB 5.004 . 6.751 3.642 3.224 4.458 . 0 0 "[ . 1 . 2]" 1
627 1 29 PHE QD 1 33 PHE HZ 4.350 . 6.058 5.597 4.848 6.488 0.430 2 0 "[ . 1 . 2]" 1
628 1 29 PHE QE 1 33 PHE QB 5.079 . 7.194 2.672 1.752 3.325 0.206 11 0 "[ . 1 . 2]" 1
629 1 29 PHE QE 1 33 PHE HZ 4.020 . 6.040 5.856 5.366 6.289 0.249 19 0 "[ . 1 . 2]" 1
630 1 29 PHE QE 1 36 LEU HB3 4.528 . 7.091 3.444 2.738 4.112 . 0 0 "[ . 1 . 2]" 1
631 1 29 PHE QE 1 36 LEU QD 4.615 . 6.641 4.167 3.401 4.739 . 0 0 "[ . 1 . 2]" 1
632 1 29 PHE QE 1 37 GLU H 5.264 . 8.728 3.813 3.284 4.335 . 0 0 "[ . 1 . 2]" 1
633 1 29 PHE HZ 1 36 LEU HB3 3.842 . 5.687 3.466 2.752 4.637 . 0 0 "[ . 1 . 2]" 1
634 1 29 PHE HZ 1 36 LEU QD 3.188 . 4.458 4.624 3.661 5.572 1.114 5 4 "[ + - * * 2]" 1
635 1 30 SER H 1 30 SER HA 2.905 . 3.960 2.771 2.380 2.904 . 0 0 "[ . 1 . 2]" 1
636 1 30 SER H 1 30 SER HB3 2.860 . 3.882 3.270 2.592 4.018 0.136 3 0 "[ . 1 . 2]" 1
637 1 30 SER H 1 31 GLY H 3.377 . 4.803 2.957 1.739 3.963 0.212 11 0 "[ . 1 . 2]" 1
638 1 30 SER H 1 32 ILE H 3.682 . 5.377 3.805 2.159 4.822 . 0 0 "[ . 1 . 2]" 1
639 1 30 SER H 1 32 ILE QG 5.870 . 10.177 4.147 2.409 6.321 . 0 0 "[ . 1 . 2]" 1
640 1 30 SER HA 1 30 SER HB3 2.664 . 3.551 2.523 2.307 3.031 . 0 0 "[ . 1 . 2]" 1
641 1 30 SER HA 1 31 GLY H 2.847 . 3.860 3.053 2.335 3.577 . 0 0 "[ . 1 . 2]" 1
642 1 30 SER HA 1 32 ILE H 4.203 . 6.411 4.449 4.094 4.871 . 0 0 "[ . 1 . 2]" 1
643 1 30 SER HB3 1 32 ILE H 5.179 . 8.532 5.831 4.521 6.418 . 0 0 "[ . 1 . 2]" 1
644 1 31 GLY H 1 31 GLY HA2 2.871 . 3.902 2.827 2.569 2.931 . 0 0 "[ . 1 . 2]" 1
645 1 31 GLY H 1 31 GLY HA3 2.772 . 3.732 2.572 2.298 2.938 . 0 0 "[ . 1 . 2]" 1
646 1 31 GLY H 1 32 ILE H 2.726 . 3.655 2.247 1.747 2.682 0.050 15 0 "[ . 1 . 2]" 1
647 1 31 GLY H 1 32 ILE HB 6.114 . 10.786 5.806 5.402 6.258 . 0 0 "[ . 1 . 2]" 1
648 1 31 GLY H 1 32 ILE MG 4.925 . 7.957 4.222 3.583 4.767 . 0 0 "[ . 1 . 2]" 1
649 1 31 GLY H 1 33 PHE H 4.385 . 6.788 4.687 2.550 6.895 0.107 12 0 "[ . 1 . 2]" 1
650 1 31 GLY H 1 33 PHE QD 6.121 . 10.805 6.327 5.023 7.408 . 0 0 "[ . 1 . 2]" 1
651 1 31 GLY HA2 1 32 ILE H 3.922 . 5.844 3.512 3.407 3.605 . 0 0 "[ . 1 . 2]" 1
652 1 31 GLY HA3 1 32 ILE H 3.255 . 4.580 2.937 2.657 3.199 . 0 0 "[ . 1 . 2]" 1
653 1 31 GLY HA3 1 32 ILE MG 4.176 . 6.356 3.886 3.430 4.548 . 0 0 "[ . 1 . 2]" 1
654 1 31 GLY HA3 1 33 PHE H 4.464 . 6.955 5.643 4.641 6.774 . 0 0 "[ . 1 . 2]" 1
655 1 32 ILE H 1 32 ILE HA 2.663 . 3.549 2.886 2.796 2.953 . 0 0 "[ . 1 . 2]" 1
656 1 32 ILE H 1 32 ILE HB 3.270 . 4.606 3.714 3.636 3.852 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE H 1 32 ILE MD 2.975 . 4.081 3.275 1.798 3.804 0.071 19 0 "[ . 1 . 2]" 1
658 1 32 ILE H 1 32 ILE QG 3.187 . 4.457 2.155 1.806 3.243 0.111 18 0 "[ . 1 . 2]" 1
659 1 32 ILE H 1 32 ILE MG 2.830 . 3.831 2.605 2.325 2.872 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE H 1 33 PHE H 3.214 . 4.506 3.417 2.409 4.527 0.021 10 0 "[ . 1 . 2]" 1
661 1 32 ILE H 1 33 PHE QB 4.150 . 6.303 4.873 4.357 5.352 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE H 1 33 PHE QE 5.071 . 8.286 6.110 5.633 6.528 . 0 0 "[ . 1 . 2]" 1
663 1 32 ILE HA 1 32 ILE HB 2.796 . 3.773 2.476 2.337 2.547 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE HA 1 32 ILE MD 3.964 . 5.928 4.084 3.665 4.212 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE HA 1 32 ILE QG 3.454 . 4.946 3.344 3.301 3.463 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE HA 1 32 ILE MG 2.576 . 3.406 2.307 2.207 2.499 . 0 0 "[ . 1 . 2]" 1
667 1 32 ILE HA 1 33 PHE H 3.064 . 4.237 3.095 2.238 3.656 . 0 0 "[ . 1 . 2]" 1
668 1 32 ILE HB 1 32 ILE MD 2.406 . 3.130 2.624 2.453 3.222 0.092 16 0 "[ . 1 . 2]" 1
669 1 32 ILE HB 1 32 ILE MG 2.017 . 2.525 2.120 2.115 2.128 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE HB 1 33 PHE H 3.061 . 4.232 3.223 2.358 3.922 . 0 0 "[ . 1 . 2]" 1
671 1 32 ILE HB 1 33 PHE QD 3.505 . 5.041 3.656 2.890 4.096 . 0 0 "[ . 1 . 2]" 1
672 1 32 ILE HB 1 33 PHE QE 4.087 . 6.175 3.729 3.260 4.362 . 0 0 "[ . 1 . 2]" 1
673 1 32 ILE MD 1 32 ILE QG 1.866 . 2.301 1.886 1.876 1.889 . 0 0 "[ . 1 . 2]" 1
674 1 32 ILE MD 1 32 ILE MG 1.826 . 2.243 1.892 1.842 1.927 . 0 0 "[ . 1 . 2]" 1
675 1 32 ILE MD 1 33 PHE H 5.247 . 8.688 4.171 3.588 4.700 . 0 0 "[ . 1 . 2]" 1
676 1 32 ILE MD 1 33 PHE QD 3.548 . 5.121 3.424 3.032 4.048 . 0 0 "[ . 1 . 2]" 1
677 1 32 ILE MD 1 33 PHE QE 3.824 . 5.652 2.942 2.380 4.157 . 0 0 "[ . 1 . 2]" 1
678 1 32 ILE QG 1 32 ILE MG 2.625 . 3.486 2.390 2.358 2.530 . 0 0 "[ . 1 . 2]" 1
679 1 32 ILE QG 1 33 PHE H 2.865 . 3.891 2.717 1.801 3.769 0.038 5 0 "[ . 1 . 2]" 1
680 1 32 ILE QG 1 33 PHE QD 3.176 . 4.437 2.788 2.396 3.118 . 0 0 "[ . 1 . 2]" 1
681 1 32 ILE QG 1 33 PHE HZ 3.752 . 5.399 4.206 3.171 4.627 . 0 0 "[ . 1 . 2]" 1
682 1 32 ILE MG 1 33 PHE H 4.515 . 7.063 4.013 3.669 4.291 . 0 0 "[ . 1 . 2]" 1
683 1 32 ILE MG 1 33 PHE HA 5.570 . 9.447 5.524 5.372 5.739 . 0 0 "[ . 1 . 2]" 1
684 1 32 ILE MG 1 33 PHE QD 4.291 . 5.756 4.727 4.324 4.941 . 0 0 "[ . 1 . 2]" 1
685 1 32 ILE MG 1 33 PHE HZ 4.248 . 6.504 5.069 4.432 5.545 . 0 0 "[ . 1 . 2]" 1
686 1 33 PHE H 1 33 PHE HA 2.940 . 4.020 2.668 2.253 2.946 . 0 0 "[ . 1 . 2]" 1
687 1 33 PHE H 1 33 PHE QB 2.921 . 3.988 2.948 2.473 3.438 . 0 0 "[ . 1 . 2]" 1
688 1 33 PHE H 1 33 PHE QD 3.458 . 4.953 3.120 2.126 3.675 . 0 0 "[ . 1 . 2]" 1
689 1 33 PHE H 1 33 PHE QE 4.068 . 6.136 4.705 4.151 5.210 . 0 0 "[ . 1 . 2]" 1
690 1 33 PHE H 1 34 THR H 4.772 . 7.618 3.888 2.873 4.466 . 0 0 "[ . 1 . 2]" 1
691 1 33 PHE HA 1 33 PHE QB 2.623 . 3.483 2.326 2.278 2.367 . 0 0 "[ . 1 . 2]" 1
692 1 33 PHE HA 1 33 PHE QD 3.267 . 4.601 2.254 2.040 2.541 . 0 0 "[ . 1 . 2]" 1
693 1 33 PHE HA 1 34 THR H 2.847 . 3.860 2.245 2.147 2.620 . 0 0 "[ . 1 . 2]" 1
694 1 33 PHE HA 1 34 THR MG 6.150 . 10.878 5.370 3.664 5.711 . 0 0 "[ . 1 . 2]" 1
695 1 33 PHE HA 1 35 HIS H 4.948 . 8.008 4.137 3.608 4.610 . 0 0 "[ . 1 . 2]" 1
696 1 33 PHE HA 1 36 LEU HB3 4.296 . 6.602 5.775 5.216 6.296 . 0 0 "[ . 1 . 2]" 1
697 1 33 PHE QB 1 33 PHE QD 3.106 . 4.312 2.178 2.120 2.298 . 0 0 "[ . 1 . 2]" 1
698 1 33 PHE QB 1 34 THR MG 4.612 . 6.808 5.518 4.204 5.844 . 0 0 "[ . 1 . 2]" 1
699 1 33 PHE QB 1 36 LEU HB3 2.547 . 3.358 3.279 3.029 3.448 0.090 3 0 "[ . 1 . 2]" 1
700 1 33 PHE QB 1 37 GLU H 4.885 . 7.868 3.755 3.337 3.987 . 0 0 "[ . 1 . 2]" 1
701 1 33 PHE QD 1 34 THR H 5.304 . 8.820 4.125 3.803 4.457 . 0 0 "[ . 1 . 2]" 1
702 1 33 PHE QD 1 34 THR HA 4.426 . 6.875 6.073 6.022 6.116 . 0 0 "[ . 1 . 2]" 1
703 1 33 PHE QD 1 35 HIS H 5.341 . 8.907 5.531 5.298 5.801 . 0 0 "[ . 1 . 2]" 1
704 1 33 PHE QD 1 36 LEU HA 5.228 . 8.645 5.952 5.539 6.599 . 0 0 "[ . 1 . 2]" 1
705 1 33 PHE QD 1 36 LEU QD 3.928 . 5.414 3.011 2.238 3.465 . 0 0 "[ . 1 . 2]" 1
706 1 33 PHE QE 1 36 LEU QD 4.133 . 6.269 4.155 3.715 4.503 . 0 0 "[ . 1 . 2]" 1
707 1 34 THR H 1 34 THR HB 3.120 . 4.337 2.628 2.473 2.974 . 0 0 "[ . 1 . 2]" 1
708 1 34 THR H 1 34 THR MG 4.749 . 7.568 3.683 1.903 3.810 0.027 11 0 "[ . 1 . 2]" 1
709 1 34 THR H 1 35 HIS H 3.163 . 4.413 2.512 2.341 2.732 . 0 0 "[ . 1 . 2]" 1
710 1 34 THR H 1 35 HIS QB 5.080 . 8.306 4.592 4.335 4.764 . 0 0 "[ . 1 . 2]" 1
711 1 34 THR H 1 36 LEU H 4.276 . 6.561 3.670 3.489 4.069 . 0 0 "[ . 1 . 2]" 1
712 1 34 THR HA 1 34 THR HB 2.966 . 4.066 2.985 2.364 3.026 . 0 0 "[ . 1 . 2]" 1
713 1 34 THR HA 1 34 THR MG 2.634 . 3.501 2.371 2.256 3.215 . 0 0 "[ . 1 . 2]" 1
714 1 34 THR HA 1 35 HIS H 3.992 . 5.984 3.565 3.543 3.591 . 0 0 "[ . 1 . 2]" 1
715 1 34 THR HA 1 35 HIS HD2 4.472 . 6.972 4.823 4.055 6.547 . 0 0 "[ . 1 . 2]" 1
716 1 34 THR HB 1 34 THR MG 2.207 . 2.816 2.135 2.121 2.140 . 0 0 "[ . 1 . 2]" 1
717 1 34 THR HB 1 35 HIS H 2.866 . 3.893 2.496 2.158 4.012 0.119 11 0 "[ . 1 . 2]" 1
718 1 34 THR HB 1 35 HIS HD2 2.912 . 3.972 2.542 1.972 4.006 0.034 11 0 "[ . 1 . 2]" 1
719 1 34 THR MG 1 35 HIS H 3.918 . 5.836 3.431 2.040 3.671 . 0 0 "[ . 1 . 2]" 1
720 1 34 THR MG 1 35 HIS HA 3.717 . 5.444 3.525 3.283 3.813 . 0 0 "[ . 1 . 2]" 1
721 1 34 THR MG 1 35 HIS HD2 3.302 . 4.665 2.724 1.962 4.652 . 0 0 "[ . 1 . 2]" 1
722 1 34 THR MG 1 35 HIS HE1 3.580 . 5.182 4.788 3.342 5.262 0.080 13 0 "[ . 1 . 2]" 1
723 1 35 HIS H 1 35 HIS QB 2.784 . 3.753 2.371 2.290 2.477 . 0 0 "[ . 1 . 2]" 1
724 1 35 HIS H 1 35 HIS HD2 3.596 . 5.213 3.019 2.639 3.763 . 0 0 "[ . 1 . 2]" 1
725 1 35 HIS H 1 36 LEU H 2.770 . 3.729 2.312 2.189 2.493 . 0 0 "[ . 1 . 2]" 1
726 1 35 HIS H 1 36 LEU HB3 4.762 . 7.596 5.767 5.620 5.953 . 0 0 "[ . 1 . 2]" 1
727 1 35 HIS HA 1 35 HIS QB 2.948 . 4.034 2.417 2.363 2.454 . 0 0 "[ . 1 . 2]" 1
728 1 35 HIS HA 1 35 HIS HD2 4.471 . 6.969 3.475 2.612 4.639 . 0 0 "[ . 1 . 2]" 1
729 1 35 HIS HA 1 35 HIS HE1 4.469 . 6.965 5.188 4.634 5.605 . 0 0 "[ . 1 . 2]" 1
730 1 35 HIS HA 1 38 ARG H 3.661 . 5.336 3.652 3.320 4.018 . 0 0 "[ . 1 . 2]" 1
731 1 35 HIS HA 1 38 ARG HB2 4.290 . 6.591 4.212 3.675 4.851 . 0 0 "[ . 1 . 2]" 1
732 1 35 HIS HA 1 38 ARG HE 4.413 . 6.847 5.864 4.111 6.919 0.072 16 0 "[ . 1 . 2]" 1
733 1 35 HIS HA 1 39 LEU H 4.485 . 6.999 4.503 4.206 4.797 . 0 0 "[ . 1 . 2]" 1
734 1 35 HIS HA 1 39 LEU QD 5.209 . 8.601 4.512 4.190 4.762 . 0 0 "[ . 1 . 2]" 1
735 1 35 HIS QB 1 36 LEU H 3.520 . 5.069 3.206 3.031 3.342 . 0 0 "[ . 1 . 2]" 1
736 1 35 HIS QB 1 38 ARG H 4.753 . 7.577 4.836 4.619 5.226 . 0 0 "[ . 1 . 2]" 1
737 1 35 HIS QB 1 39 LEU H 3.779 . 5.564 4.376 4.127 4.655 . 0 0 "[ . 1 . 2]" 1
738 1 35 HIS QB 1 39 LEU QD 3.595 . 5.188 2.841 2.482 3.117 . 0 0 "[ . 1 . 2]" 1
739 1 35 HIS QB 1 40 LEU HG 3.988 . 5.976 8.531 8.335 8.707 2.731 9 20 [******-*+***********] 1
740 1 35 HIS HD2 1 39 LEU HB2 4.983 . 8.087 8.153 8.037 8.217 0.130 13 0 "[ . 1 . 2]" 1
741 1 35 HIS HD2 1 39 LEU QD 4.864 . 7.770 5.643 5.125 6.098 . 0 0 "[ . 1 . 2]" 1
742 1 35 HIS HD2 1 40 LEU QD 4.676 . 7.410 9.894 9.634 10.200 2.790 4 20 [***+******-*********] 1
743 1 35 HIS HE1 1 38 ARG QG 5.644 . 9.626 7.525 6.638 8.437 . 0 0 "[ . 1 . 2]" 1
744 1 36 LEU H 1 36 LEU HB3 2.403 . 3.125 3.545 3.503 3.581 0.456 15 0 "[ . 1 . 2]" 1
745 1 36 LEU H 1 36 LEU QD 3.122 . 4.341 2.023 1.898 2.142 0.082 14 0 "[ . 1 . 2]" 1
746 1 36 LEU H 1 36 LEU HG 3.877 . 5.756 3.790 3.131 3.929 . 0 0 "[ . 1 . 2]" 1
747 1 36 LEU H 1 37 GLU H 3.281 . 4.627 2.737 2.645 2.851 . 0 0 "[ . 1 . 2]" 1
748 1 36 LEU H 1 38 ARG H 4.697 . 7.455 4.472 4.119 4.689 . 0 0 "[ . 1 . 2]" 1
749 1 36 LEU H 1 38 ARG HB3 4.011 . 6.022 5.766 4.846 6.091 0.069 9 0 "[ . 1 . 2]" 1
750 1 36 LEU H 1 39 LEU H 4.287 . 6.585 4.847 4.672 4.990 . 0 0 "[ . 1 . 2]" 1
751 1 36 LEU HA 1 36 LEU HB3 2.705 . 3.619 2.588 2.507 2.629 . 0 0 "[ . 1 . 2]" 1
752 1 36 LEU HA 1 36 LEU QD 2.601 . 3.349 2.073 1.921 2.922 . 0 0 "[ . 1 . 2]" 1
753 1 36 LEU HA 1 39 LEU H 3.281 . 4.627 3.521 3.178 3.693 . 0 0 "[ . 1 . 2]" 1
754 1 36 LEU HA 1 39 LEU HB2 2.585 . 3.420 2.590 1.994 2.872 . 0 0 "[ . 1 . 2]" 1
755 1 36 LEU HA 1 39 LEU QD 2.872 . 3.903 2.663 1.937 3.120 0.037 12 0 "[ . 1 . 2]" 1
756 1 36 LEU HA 1 40 LEU QD 3.016 . 4.153 4.823 4.526 5.216 1.063 4 14 "[ **+** **** * **-*]" 1
757 1 36 LEU HB2 1 37 GLU H 3.314 . 4.687 2.741 2.516 2.889 . 0 0 "[ . 1 . 2]" 1
758 1 36 LEU HB3 1 36 LEU QD 2.305 . 2.969 2.249 2.058 2.324 . 0 0 "[ . 1 . 2]" 1
759 1 36 LEU HB3 1 37 GLU H 3.020 . 4.160 3.447 3.300 3.703 . 0 0 "[ . 1 . 2]" 1
760 1 36 LEU HB3 1 37 GLU HA 3.860 . 5.723 4.221 4.038 4.532 . 0 0 "[ . 1 . 2]" 1
761 1 36 LEU HB3 1 38 ARG H 4.661 . 7.377 5.690 5.375 5.948 . 0 0 "[ . 1 . 2]" 1
762 1 36 LEU HB3 1 40 LEU QD 3.972 . 5.944 4.797 4.170 5.141 . 0 0 "[ . 1 . 2]" 1
763 1 36 LEU MD1 1 36 LEU MD2 1.995 . 2.493 2.063 1.987 2.076 . 0 0 "[ . 1 . 2]" 1
764 1 36 LEU QD 1 36 LEU HG 2.115 . 2.594 1.882 1.835 1.891 . 0 0 "[ . 1 . 2]" 1
765 1 36 LEU QD 1 37 GLU H 4.751 . 7.572 3.843 3.736 3.960 . 0 0 "[ . 1 . 2]" 1
766 1 36 LEU QD 1 37 GLU HA 3.917 . 5.835 5.100 4.984 5.231 . 0 0 "[ . 1 . 2]" 1
767 1 36 LEU QD 1 39 LEU H 4.389 . 6.797 4.632 4.486 5.224 . 0 0 "[ . 1 . 2]" 1
768 1 36 LEU QD 1 39 LEU QD 2.561 . 3.381 2.680 2.290 3.129 . 0 0 "[ . 1 . 2]" 1
769 1 36 LEU QD 1 39 LEU HG 3.772 . 5.550 4.232 3.857 4.889 . 0 0 "[ . 1 . 2]" 1
770 1 36 LEU QD 1 40 LEU H 4.199 . 6.402 5.407 5.038 5.737 . 0 0 "[ . 1 . 2]" 1
771 1 36 LEU QD 1 40 LEU QB 4.182 . 6.107 5.839 5.585 6.000 . 0 0 "[ . 1 . 2]" 1
772 1 36 LEU QD 1 40 LEU QD . . 2.534 4.239 4.019 4.619 2.085 10 20 [*********+*****-****] 1
773 1 36 LEU QD 1 40 LEU HG . . 2.563 5.152 4.986 5.340 2.777 10 20 [*********+*-********] 1
774 1 36 LEU QD 1 44 ILE MD 3.781 . 5.568 7.523 7.314 7.783 2.215 10 20 [*********+*****-****] 1
775 1 37 GLU H 1 37 GLU HB3 2.464 . 3.223 2.559 2.287 2.791 . 0 0 "[ . 1 . 2]" 1
776 1 37 GLU H 1 37 GLU HG2 4.848 . 7.786 4.319 1.957 4.562 . 0 0 "[ . 1 . 2]" 1
777 1 37 GLU H 1 37 GLU HG3 4.428 . 6.879 4.363 3.052 4.515 . 0 0 "[ . 1 . 2]" 1
778 1 37 GLU H 1 38 ARG H 2.949 . 4.036 2.847 2.591 3.053 . 0 0 "[ . 1 . 2]" 1
779 1 37 GLU H 1 39 LEU H 4.480 . 6.988 4.040 3.914 4.122 . 0 0 "[ . 1 . 2]" 1
780 1 37 GLU HA 1 37 GLU HB3 2.566 . 3.389 2.988 2.366 3.026 . 0 0 "[ . 1 . 2]" 1
781 1 37 GLU HA 1 37 GLU HG2 2.773 . 3.734 3.108 2.319 3.882 0.148 14 0 "[ . 1 . 2]" 1
782 1 37 GLU HA 1 37 GLU HG3 3.316 . 4.691 2.827 2.552 3.791 . 0 0 "[ . 1 . 2]" 1
783 1 37 GLU HA 1 38 ARG H 3.781 . 5.568 3.558 3.498 3.587 . 0 0 "[ . 1 . 2]" 1
784 1 37 GLU HA 1 40 LEU H 3.422 . 4.886 3.858 3.506 4.354 . 0 0 "[ . 1 . 2]" 1
785 1 37 GLU HA 1 40 LEU QB 4.329 . 4.394 3.555 3.148 3.862 . 0 0 "[ . 1 . 2]" 1
786 1 37 GLU HA 1 40 LEU HG 3.261 . 4.590 4.038 3.634 4.606 0.016 14 0 "[ . 1 . 2]" 1
787 1 37 GLU HA 1 41 ASP H 4.299 . 6.609 4.974 4.656 5.256 . 0 0 "[ . 1 . 2]" 1
788 1 37 GLU HB3 1 37 GLU HG2 2.006 . 2.509 2.509 2.304 3.002 0.493 10 0 "[ . 1 . 2]" 1
789 1 37 GLU HG2 1 38 ARG H 3.853 . 5.709 3.668 2.774 4.699 . 0 0 "[ . 1 . 2]" 1
790 1 37 GLU HG3 1 38 ARG H 4.379 . 6.776 4.339 1.925 4.804 0.057 4 0 "[ . 1 . 2]" 1
791 1 38 ARG H 1 38 ARG HA 2.889 . 3.932 2.819 2.770 2.870 . 0 0 "[ . 1 . 2]" 1
792 1 38 ARG H 1 38 ARG HB2 2.875 . 3.908 2.515 2.295 2.722 . 0 0 "[ . 1 . 2]" 1
793 1 38 ARG H 1 38 ARG HB3 2.227 . 2.847 2.582 2.217 2.843 . 0 0 "[ . 1 . 2]" 1
794 1 38 ARG H 1 38 ARG HD2 5.206 . 8.594 5.707 4.875 6.007 . 0 0 "[ . 1 . 2]" 1
795 1 38 ARG H 1 38 ARG HD3 6.018 . 10.545 4.803 4.502 5.109 . 0 0 "[ . 1 . 2]" 1
796 1 38 ARG H 1 38 ARG QG 4.096 . 6.193 3.942 3.868 3.998 . 0 0 "[ . 1 . 2]" 1
797 1 38 ARG H 1 39 LEU H 2.900 . 3.951 2.618 2.478 2.803 . 0 0 "[ . 1 . 2]" 1
798 1 38 ARG H 1 39 LEU HA 5.229 . 8.647 5.185 5.054 5.341 . 0 0 "[ . 1 . 2]" 1
799 1 38 ARG H 1 39 LEU QD 4.819 . 7.722 4.858 4.725 4.968 . 0 0 "[ . 1 . 2]" 1
800 1 38 ARG HA 1 38 ARG QG 3.296 . 4.654 2.443 2.329 2.666 . 0 0 "[ . 1 . 2]" 1
801 1 38 ARG HA 1 41 ASP H 3.650 . 5.316 3.093 2.824 3.310 . 0 0 "[ . 1 . 2]" 1
802 1 38 ARG HA 1 41 ASP HB2 3.857 . 5.717 3.078 2.612 3.549 . 0 0 "[ . 1 . 2]" 1
803 1 38 ARG HA 1 41 ASP HB3 2.924 . 3.992 2.602 2.200 4.238 0.246 8 0 "[ . 1 . 2]" 1
804 1 38 ARG HA 1 42 GLU H 4.581 . 7.204 4.137 3.764 4.405 . 0 0 "[ . 1 . 2]" 1
805 1 38 ARG HB2 1 39 LEU H 4.361 . 6.738 4.004 3.762 4.193 . 0 0 "[ . 1 . 2]" 1
806 1 38 ARG HB3 1 38 ARG HE 2.984 . 4.097 3.167 2.124 4.614 0.517 6 1 "[ .+ 1 . 2]" 1
807 1 38 ARG HB3 1 39 LEU H 3.302 . 4.665 2.925 2.746 3.135 . 0 0 "[ . 1 . 2]" 1
808 1 38 ARG HD2 1 38 ARG HE 2.918 . 3.982 2.691 2.284 2.898 . 0 0 "[ . 1 . 2]" 1
809 1 38 ARG HD2 1 38 ARG QG 3.446 . 4.930 2.192 2.152 2.312 . 0 0 "[ . 1 . 2]" 1
810 1 38 ARG HD3 1 38 ARG HE 2.893 . 3.939 2.837 2.659 2.957 . 0 0 "[ . 1 . 2]" 1
811 1 38 ARG HE 1 38 ARG QG 3.178 . 4.376 2.343 2.119 2.703 . 0 0 "[ . 1 . 2]" 1
812 1 38 ARG HE 1 38 ARG QH2 2.865 . 3.891 2.239 2.188 2.298 . 0 0 "[ . 1 . 2]" 1
813 1 38 ARG QG 1 39 LEU H 3.728 . 5.466 3.919 3.318 4.219 . 0 0 "[ . 1 . 2]" 1
814 1 38 ARG QG 1 40 LEU H 3.921 . 5.843 4.956 4.750 5.628 . 0 0 "[ . 1 . 2]" 1
815 1 38 ARG QG 1 41 ASP H 3.882 . 5.766 4.207 4.000 4.492 . 0 0 "[ . 1 . 2]" 1
816 1 38 ARG QG 1 42 GLU H 3.975 . 5.950 3.686 3.351 4.166 . 0 0 "[ . 1 . 2]" 1
817 1 38 ARG QG 1 42 GLU QB 3.491 . 5.015 4.059 3.061 4.771 . 0 0 "[ . 1 . 2]" 1
818 1 38 ARG QG 1 42 GLU HG3 3.621 . 5.260 3.285 2.426 4.873 . 0 0 "[ . 1 . 2]" 1
819 1 39 LEU H 1 39 LEU HA 2.755 . 3.704 2.825 2.778 2.845 . 0 0 "[ . 1 . 2]" 1
820 1 39 LEU H 1 39 LEU HB2 2.856 . 3.876 2.288 2.218 2.359 . 0 0 "[ . 1 . 2]" 1
821 1 39 LEU H 1 39 LEU HB3 3.746 . 5.500 3.551 3.509 3.594 . 0 0 "[ . 1 . 2]" 1
822 1 39 LEU H 1 39 LEU QD 3.240 . 4.552 3.258 3.089 3.350 . 0 0 "[ . 1 . 2]" 1
823 1 39 LEU H 1 39 LEU HG 2.194 . 2.796 2.729 2.610 2.846 0.050 6 0 "[ . 1 . 2]" 1
824 1 39 LEU H 1 40 LEU H 2.852 . 3.869 2.642 2.531 2.984 . 0 0 "[ . 1 . 2]" 1
825 1 39 LEU H 1 41 ASP H 4.518 . 7.070 3.942 3.813 4.173 . 0 0 "[ . 1 . 2]" 1
826 1 39 LEU H 1 42 GLU H 4.724 . 7.513 4.751 4.650 4.921 . 0 0 "[ . 1 . 2]" 1
827 1 39 LEU HA 1 39 LEU HB3 2.702 . 3.615 2.592 2.553 2.633 . 0 0 "[ . 1 . 2]" 1
828 1 39 LEU HA 1 39 LEU QD 2.205 . 2.813 1.876 1.796 1.993 . 0 0 "[ . 1 . 2]" 1
829 1 39 LEU HA 1 39 LEU HG 2.621 . 3.480 2.936 2.619 3.138 . 0 0 "[ . 1 . 2]" 1
830 1 39 LEU HA 1 40 LEU H 3.746 . 5.500 3.435 3.373 3.546 . 0 0 "[ . 1 . 2]" 1
831 1 39 LEU HA 1 42 GLU HG3 4.479 . 6.987 3.882 3.060 5.616 . 0 0 "[ . 1 . 2]" 1
832 1 39 LEU HB2 1 39 LEU QD 3.005 . 4.134 2.312 2.207 2.404 . 0 0 "[ . 1 . 2]" 1
833 1 39 LEU HB2 1 40 LEU H 2.616 . 3.471 3.200 2.389 3.342 . 0 0 "[ . 1 . 2]" 1
834 1 39 LEU HB3 1 39 LEU QD 2.438 . 3.056 2.107 2.095 2.118 . 0 0 "[ . 1 . 2]" 1
835 1 39 LEU HB3 1 40 LEU H 3.921 . 5.843 3.813 2.919 3.978 . 0 0 "[ . 1 . 2]" 1
836 1 39 LEU HB3 1 42 GLU H 4.693 . 7.446 5.394 4.990 5.534 . 0 0 "[ . 1 . 2]" 1
837 1 39 LEU QD 1 39 LEU HG 2.017 . 2.276 1.893 1.891 1.898 . 0 0 "[ . 1 . 2]" 1
838 1 39 LEU QD 1 40 LEU H 3.602 . 5.193 4.305 3.899 4.386 . 0 0 "[ . 1 . 2]" 1
839 1 39 LEU QD 1 40 LEU HA 2.447 . 2.866 5.081 5.011 5.163 2.297 11 20 [**********+******-**] 1
840 1 39 LEU QD 1 40 LEU QB 3.730 . 5.469 5.528 5.324 5.596 0.127 7 0 "[ . 1 . 2]" 1
841 1 39 LEU QD 1 40 LEU QD . . 1.915 4.218 4.115 4.321 2.406 4 20 [***+********-*******] 1
842 1 39 LEU QD 1 41 ASP H 4.618 . 7.284 5.130 4.880 5.291 . 0 0 "[ . 1 . 2]" 1
843 1 39 LEU QD 1 42 GLU H 4.068 . 6.136 4.413 4.099 4.581 . 0 0 "[ . 1 . 2]" 1
844 1 39 LEU QD 1 42 GLU HG2 4.198 . 6.401 4.483 3.113 5.266 . 0 0 "[ . 1 . 2]" 1
845 1 39 LEU QD 1 43 GLU H 3.221 . 4.517 4.367 4.138 4.503 . 0 0 "[ . 1 . 2]" 1
846 1 39 LEU QD 1 43 GLU HB2 3.190 . 4.462 4.230 3.937 4.467 0.005 10 0 "[ . 1 . 2]" 1
847 1 39 LEU QD 1 43 GLU QG 2.918 . 3.217 5.366 5.093 5.675 2.458 10 20 [-********+**********] 1
848 1 40 LEU H 1 40 LEU HA 2.713 . 3.633 2.909 2.720 2.928 . 0 0 "[ . 1 . 2]" 1
849 1 40 LEU H 1 40 LEU QB . . 3.099 2.320 2.274 2.434 . 0 0 "[ . 1 . 2]" 1
850 1 40 LEU H 1 40 LEU QD 3.424 . 4.890 2.921 2.634 3.190 . 0 0 "[ . 1 . 2]" 1
851 1 40 LEU H 1 40 LEU HG 3.759 . 5.526 3.446 3.101 3.616 . 0 0 "[ . 1 . 2]" 1
852 1 40 LEU H 1 41 ASP H 2.758 . 3.709 2.242 2.119 2.979 . 0 0 "[ . 1 . 2]" 1
853 1 40 LEU H 1 41 ASP HB2 5.937 . 10.343 4.609 4.243 5.157 . 0 0 "[ . 1 . 2]" 1
854 1 40 LEU H 1 41 ASP HB3 5.482 . 9.239 4.528 4.136 5.719 . 0 0 "[ . 1 . 2]" 1
855 1 40 LEU HA 1 40 LEU QB 2.977 . 4.085 2.469 2.447 2.484 . 0 0 "[ . 1 . 2]" 1
856 1 40 LEU HA 1 40 LEU QD 1.978 . 2.467 1.826 1.772 1.875 . 0 0 "[ . 1 . 2]" 1
857 1 40 LEU HA 1 41 ASP H 3.169 . 4.424 3.465 3.422 3.515 . 0 0 "[ . 1 . 2]" 1
858 1 40 LEU QB 1 40 LEU QD 2.270 . 2.914 1.999 1.991 2.007 . 0 0 "[ . 1 . 2]" 1
859 1 40 LEU QB 1 40 LEU HG 2.422 . 3.155 2.163 2.148 2.186 . 0 0 "[ . 1 . 2]" 1
860 1 40 LEU QB 1 41 ASP H 2.941 . 4.022 2.815 2.698 2.965 . 0 0 "[ . 1 . 2]" 1
861 1 40 LEU QB 1 43 GLU H 4.921 . 7.948 4.796 4.639 4.934 . 0 0 "[ . 1 . 2]" 1
862 1 40 LEU QB 1 44 ILE H 3.535 . 5.097 4.055 3.844 4.248 . 0 0 "[ . 1 . 2]" 1
863 1 40 LEU QB 1 44 ILE HB 4.352 . 6.720 3.699 3.587 3.895 . 0 0 "[ . 1 . 2]" 1
864 1 40 LEU QB 1 44 ILE HG13 4.217 . 6.440 2.996 2.762 3.172 . 0 0 "[ . 1 . 2]" 1
865 1 40 LEU QD 1 41 ASP H 3.943 . 5.887 4.072 4.000 4.149 . 0 0 "[ . 1 . 2]" 1
866 1 40 LEU QD 1 41 ASP HB3 5.075 . 8.295 5.911 5.769 6.393 . 0 0 "[ . 1 . 2]" 1
867 1 40 LEU QD 1 43 GLU HB3 2.715 . 3.637 2.925 2.391 3.292 . 0 0 "[ . 1 . 2]" 1
868 1 40 LEU QD 1 44 ILE H 4.161 . 6.325 3.775 3.503 3.930 . 0 0 "[ . 1 . 2]" 1
869 1 41 ASP H 1 41 ASP HB2 3.114 . 4.326 2.625 2.237 2.828 . 0 0 "[ . 1 . 2]" 1
870 1 41 ASP H 1 41 ASP HB3 2.661 . 3.546 2.532 2.301 3.507 . 0 0 "[ . 1 . 2]" 1
871 1 41 ASP H 1 42 GLU H 2.816 . 3.807 2.493 2.333 2.619 . 0 0 "[ . 1 . 2]" 1
872 1 41 ASP HA 1 41 ASP HB2 2.904 . 3.958 2.469 2.351 2.968 . 0 0 "[ . 1 . 2]" 1
873 1 41 ASP HA 1 42 GLU H 3.814 . 5.632 3.548 3.481 3.621 . 0 0 "[ . 1 . 2]" 1
874 1 41 ASP HA 1 43 GLU H 4.603 . 7.252 4.765 4.515 4.865 . 0 0 "[ . 1 . 2]" 1
875 1 41 ASP HA 1 44 ILE H 3.556 . 5.137 4.120 3.966 4.244 . 0 0 "[ . 1 . 2]" 1
876 1 41 ASP HA 1 44 ILE HB 2.814 . 3.804 3.230 3.014 3.336 . 0 0 "[ . 1 . 2]" 1
877 1 41 ASP HA 1 44 ILE MD 2.901 . 3.953 3.902 3.513 4.003 0.050 4 0 "[ . 1 . 2]" 1
878 1 41 ASP HA 1 44 ILE MG 3.820 . 5.644 4.201 4.017 4.288 . 0 0 "[ . 1 . 2]" 1
879 1 41 ASP HA 1 45 SER H 3.791 . 5.587 3.911 3.666 4.102 . 0 0 "[ . 1 . 2]" 1
880 1 41 ASP HB2 1 42 GLU H 3.488 . 5.009 3.928 3.106 4.144 . 0 0 "[ . 1 . 2]" 1
881 1 41 ASP HB2 1 43 GLU H 5.151 . 8.468 6.024 5.507 6.144 . 0 0 "[ . 1 . 2]" 1
882 1 41 ASP HB2 1 44 ILE H 4.825 . 7.735 6.174 6.079 6.276 . 0 0 "[ . 1 . 2]" 1
883 1 41 ASP HB2 1 44 ILE MD 3.892 . 5.786 5.383 5.227 5.628 . 0 0 "[ . 1 . 2]" 1
884 1 41 ASP HB2 1 44 ILE MG 4.008 . 6.016 6.138 6.068 6.562 0.546 8 1 "[ . + 1 . 2]" 1
885 1 41 ASP HB2 1 45 SER H 5.103 . 8.359 6.197 6.026 6.365 . 0 0 "[ . 1 . 2]" 1
886 1 41 ASP HB3 1 42 GLU H 2.933 . 4.008 2.781 2.505 3.533 . 0 0 "[ . 1 . 2]" 1
887 1 41 ASP HB3 1 44 ILE MD 4.529 . 7.093 6.181 5.826 6.275 . 0 0 "[ . 1 . 2]" 1
888 1 42 GLU H 1 42 GLU HA 2.796 . 3.773 2.838 2.767 2.898 . 0 0 "[ . 1 . 2]" 1
889 1 42 GLU H 1 42 GLU QB 2.595 . 3.437 2.321 1.958 2.606 . 0 0 "[ . 1 . 2]" 1
890 1 42 GLU H 1 42 GLU HG2 2.707 . 3.623 3.139 1.827 4.522 0.899 5 1 "[ + 1 . 2]" 1
891 1 42 GLU H 1 42 GLU HG3 4.206 . 6.417 3.198 2.161 4.379 . 0 0 "[ . 1 . 2]" 1
892 1 42 GLU H 1 43 GLU H 2.804 . 3.787 2.646 2.366 2.876 . 0 0 "[ . 1 . 2]" 1
893 1 42 GLU H 1 44 ILE H 4.579 . 7.200 4.221 3.928 4.422 . 0 0 "[ . 1 . 2]" 1
894 1 42 GLU HA 1 42 GLU QB 2.455 . 3.209 2.397 2.293 2.536 . 0 0 "[ . 1 . 2]" 1
895 1 42 GLU HA 1 42 GLU HG2 2.655 . 3.536 2.815 2.422 3.600 0.064 15 0 "[ . 1 . 2]" 1
896 1 42 GLU HA 1 42 GLU HG3 3.490 . 5.012 3.322 2.043 3.871 . 0 0 "[ . 1 . 2]" 1
897 1 42 GLU HA 1 43 GLU H 3.257 . 4.583 3.592 3.568 3.616 . 0 0 "[ . 1 . 2]" 1
898 1 42 GLU HA 1 44 ILE H 3.726 . 5.462 4.760 4.581 4.919 . 0 0 "[ . 1 . 2]" 1
899 1 42 GLU HA 1 45 SER H 3.719 . 5.448 3.817 3.493 4.138 . 0 0 "[ . 1 . 2]" 1
900 1 42 GLU QB 1 42 GLU HG2 2.273 . 2.919 2.317 2.143 2.437 . 0 0 "[ . 1 . 2]" 1
901 1 42 GLU QB 1 43 GLU H 2.255 . 2.891 2.439 2.220 2.707 . 0 0 "[ . 1 . 2]" 1
902 1 42 GLU QB 1 44 ILE H 3.595 . 5.211 4.639 4.437 4.796 . 0 0 "[ . 1 . 2]" 1
903 1 42 GLU QB 1 46 ARG QG 3.274 . 4.613 3.767 3.067 4.267 . 0 0 "[ . 1 . 2]" 1
904 1 43 GLU H 1 43 GLU HA 2.715 . 3.637 2.837 2.821 2.855 . 0 0 "[ . 1 . 2]" 1
905 1 43 GLU H 1 43 GLU QG 4.609 . 7.265 4.032 3.894 4.086 . 0 0 "[ . 1 . 2]" 1
906 1 43 GLU H 1 44 ILE H 2.800 . 3.780 2.617 2.516 2.685 . 0 0 "[ . 1 . 2]" 1
907 1 43 GLU H 1 44 ILE HA 5.200 . 8.580 5.260 5.189 5.308 . 0 0 "[ . 1 . 2]" 1
908 1 43 GLU H 1 44 ILE HG13 4.205 . 6.416 4.696 4.607 4.818 . 0 0 "[ . 1 . 2]" 1
909 1 43 GLU H 1 45 SER H 4.030 . 6.060 3.972 3.787 4.182 . 0 0 "[ . 1 . 2]" 1
910 1 43 GLU H 1 46 ARG H 4.500 . 7.031 4.578 4.452 4.689 . 0 0 "[ . 1 . 2]" 1
911 1 43 GLU HA 1 44 ILE H 3.683 . 5.379 3.518 3.489 3.535 . 0 0 "[ . 1 . 2]" 1
912 1 43 GLU HA 1 45 SER H 4.166 . 6.335 4.375 4.069 4.596 . 0 0 "[ . 1 . 2]" 1
913 1 43 GLU HA 1 46 ARG H 3.762 . 5.531 3.378 2.997 3.640 . 0 0 "[ . 1 . 2]" 1
914 1 43 GLU HA 1 47 VAL H 4.647 . 7.347 3.761 3.624 3.923 . 0 0 "[ . 1 . 2]" 1
915 1 43 GLU QG 1 44 ILE H 5.531 . 5.615 3.539 3.170 3.836 . 0 0 "[ . 1 . 2]" 1
916 1 43 GLU QG 1 45 SER H 4.444 . 6.913 5.199 4.918 5.471 . 0 0 "[ . 1 . 2]" 1
917 1 43 GLU QG 1 47 VAL MG1 3.820 . 4.670 4.344 4.218 4.450 . 0 0 "[ . 1 . 2]" 1
918 1 44 ILE H 1 44 ILE HA 2.976 . 4.083 2.836 2.803 2.861 . 0 0 "[ . 1 . 2]" 1
919 1 44 ILE H 1 44 ILE HB 2.350 . 3.040 2.350 2.310 2.423 . 0 0 "[ . 1 . 2]" 1
920 1 44 ILE H 1 44 ILE MD 3.601 . 5.222 3.743 3.679 3.843 . 0 0 "[ . 1 . 2]" 1
921 1 44 ILE H 1 44 ILE HG13 2.456 . 3.210 2.510 2.423 2.618 . 0 0 "[ . 1 . 2]" 1
922 1 44 ILE H 1 44 ILE MG 3.143 . 4.378 3.726 3.703 3.761 . 0 0 "[ . 1 . 2]" 1
923 1 44 ILE H 1 45 SER H 2.829 . 3.830 2.553 2.362 2.742 . 0 0 "[ . 1 . 2]" 1
924 1 44 ILE H 1 46 ARG H 4.375 . 6.767 4.059 3.911 4.160 . 0 0 "[ . 1 . 2]" 1
925 1 44 ILE H 1 47 VAL H 4.134 . 6.270 4.733 4.674 4.816 . 0 0 "[ . 1 . 2]" 1
926 1 44 ILE HA 1 44 ILE HB 2.803 . 3.785 3.008 3.003 3.021 . 0 0 "[ . 1 . 2]" 1
927 1 44 ILE HA 1 44 ILE MD 2.986 . 4.100 3.754 3.734 3.788 . 0 0 "[ . 1 . 2]" 1
928 1 44 ILE HA 1 44 ILE HG13 2.892 . 3.937 2.841 2.803 2.877 . 0 0 "[ . 1 . 2]" 1
929 1 44 ILE HA 1 44 ILE MG 2.300 . 2.961 2.580 2.538 2.615 . 0 0 "[ . 1 . 2]" 1
930 1 44 ILE HA 1 45 SER H 3.529 . 5.086 3.513 3.460 3.546 . 0 0 "[ . 1 . 2]" 1
931 1 44 ILE HA 1 46 ARG H 3.894 . 5.789 4.454 4.292 4.567 . 0 0 "[ . 1 . 2]" 1
932 1 44 ILE HA 1 47 VAL H 3.544 . 5.114 3.757 3.587 3.937 . 0 0 "[ . 1 . 2]" 1
933 1 44 ILE HA 1 47 VAL HB 2.977 . 4.085 2.842 2.675 3.071 . 0 0 "[ . 1 . 2]" 1
934 1 44 ILE HA 1 47 VAL MG1 4.093 . 6.187 4.060 3.895 4.279 . 0 0 "[ . 1 . 2]" 1
935 1 44 ILE HA 1 47 VAL MG2 3.300 . 4.661 3.390 3.078 3.612 . 0 0 "[ . 1 . 2]" 1
936 1 44 ILE HB 1 44 ILE MD 2.015 . 2.522 2.437 2.414 2.465 . 0 0 "[ . 1 . 2]" 1
937 1 44 ILE HB 1 44 ILE MG 1.874 . 2.313 2.123 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
938 1 44 ILE HB 1 45 SER H 2.466 . 3.226 2.683 2.574 2.846 . 0 0 "[ . 1 . 2]" 1
939 1 44 ILE MD 1 44 ILE HG13 2.114 . 2.673 2.115 2.112 2.118 . 0 0 "[ . 1 . 2]" 1
940 1 44 ILE MD 1 44 ILE MG 1.815 . 2.227 1.900 1.841 1.948 . 0 0 "[ . 1 . 2]" 1
941 1 44 ILE MD 1 45 SER H 3.858 . 5.719 4.700 4.621 4.824 . 0 0 "[ . 1 . 2]" 1
942 1 44 ILE MD 1 45 SER HA 3.937 . 5.875 5.912 5.838 5.998 0.123 14 0 "[ . 1 . 2]" 1
943 1 44 ILE HG13 1 44 ILE MG 2.879 . 3.915 3.202 3.198 3.209 . 0 0 "[ . 1 . 2]" 1
944 1 44 ILE MG 1 45 SER H 2.847 . 3.860 3.153 2.997 3.343 . 0 0 "[ . 1 . 2]" 1
945 1 44 ILE MG 1 48 ARG H 3.696 . 5.403 4.602 4.195 4.831 . 0 0 "[ . 1 . 2]" 1
946 1 44 ILE MG 1 48 ARG HG3 2.579 . 3.410 3.141 2.805 3.436 0.026 2 0 "[ . 1 . 2]" 1
947 1 45 SER H 1 45 SER HA 2.500 . 3.281 2.844 2.814 2.861 . 0 0 "[ . 1 . 2]" 1
948 1 45 SER H 1 45 SER HB2 2.284 . 2.936 2.648 2.459 3.656 0.720 9 2 "[ - . +1 . 2]" 1
949 1 45 SER H 1 46 ARG H 2.562 . 3.382 2.669 2.573 2.782 . 0 0 "[ . 1 . 2]" 1
950 1 45 SER H 1 47 VAL H 4.562 . 7.164 4.204 4.119 4.338 . 0 0 "[ . 1 . 2]" 1
951 1 45 SER H 1 48 ARG H 4.583 . 7.208 4.943 4.727 5.114 . 0 0 "[ . 1 . 2]" 1
952 1 45 SER HA 1 46 ARG H 2.905 . 3.960 3.536 3.514 3.556 . 0 0 "[ . 1 . 2]" 1
953 1 45 SER HA 1 47 VAL MG1 4.092 . 6.185 6.193 6.036 6.290 0.105 14 0 "[ . 1 . 2]" 1
954 1 45 SER HA 1 48 ARG H 3.202 . 4.484 3.692 3.491 3.880 . 0 0 "[ . 1 . 2]" 1
955 1 45 SER HA 1 48 ARG HB3 4.225 . 6.456 4.648 4.221 4.933 . 0 0 "[ . 1 . 2]" 1
956 1 45 SER HA 1 48 ARG HD3 3.320 . 4.697 3.657 2.280 4.574 . 0 0 "[ . 1 . 2]" 1
957 1 45 SER HB2 1 46 ARG H 3.130 . 4.354 3.544 2.688 4.007 . 0 0 "[ . 1 . 2]" 1
958 1 45 SER HB2 1 48 ARG HB3 4.885 . 7.869 7.056 5.980 7.422 . 0 0 "[ . 1 . 2]" 1
959 1 45 SER HB2 1 48 ARG HD3 4.737 . 7.542 5.987 4.635 7.522 . 0 0 "[ . 1 . 2]" 1
960 1 46 ARG H 1 46 ARG HA 2.415 . 3.144 2.871 2.801 2.902 . 0 0 "[ . 1 . 2]" 1
961 1 46 ARG H 1 46 ARG HB2 3.856 . 5.715 3.496 2.717 3.705 . 0 0 "[ . 1 . 2]" 1
962 1 46 ARG H 1 46 ARG HB3 2.304 . 2.967 2.927 2.652 3.627 0.660 7 4 "[ . +* 1 - *. 2]" 1
963 1 46 ARG H 1 46 ARG HD2 4.988 . 8.098 4.340 3.496 4.767 . 0 0 "[ . 1 . 2]" 1
964 1 46 ARG H 1 46 ARG HD3 4.935 . 7.979 4.533 3.895 4.935 . 0 0 "[ . 1 . 2]" 1
965 1 46 ARG H 1 46 ARG QG 2.794 . 3.770 2.076 1.774 2.299 0.177 8 0 "[ . 1 . 2]" 1
966 1 46 ARG H 1 47 VAL H 2.704 . 3.618 2.505 2.393 2.743 . 0 0 "[ . 1 . 2]" 1
967 1 46 ARG H 1 47 VAL MG1 4.392 . 6.803 5.710 5.615 5.893 . 0 0 "[ . 1 . 2]" 1
968 1 46 ARG H 1 47 VAL MG2 4.081 . 6.162 4.067 3.928 4.208 . 0 0 "[ . 1 . 2]" 1
969 1 46 ARG H 1 48 ARG H 4.174 . 6.352 3.904 3.729 4.120 . 0 0 "[ . 1 . 2]" 1
970 1 46 ARG HA 1 46 ARG HB2 2.866 . 3.893 2.565 2.386 3.026 . 0 0 "[ . 1 . 2]" 1
971 1 46 ARG HA 1 46 ARG QG 4.189 . 5.623 3.283 2.891 3.369 . 0 0 "[ . 1 . 2]" 1
972 1 46 ARG HA 1 47 VAL H 3.249 . 4.569 3.512 3.493 3.544 . 0 0 "[ . 1 . 2]" 1
973 1 46 ARG HA 1 49 LYS H 3.802 . 5.608 3.380 3.031 3.858 . 0 0 "[ . 1 . 2]" 1
974 1 46 ARG HB2 1 46 ARG HE 2.718 . 3.642 3.015 2.137 4.214 0.572 7 1 "[ . + 1 . 2]" 1
975 1 46 ARG HB2 1 46 ARG QG 3.333 . 4.722 2.317 2.118 2.450 . 0 0 "[ . 1 . 2]" 1
976 1 46 ARG HE 1 46 ARG QG 3.715 . 4.716 2.874 2.083 3.149 . 0 0 "[ . 1 . 2]" 1
977 1 46 ARG HE 1 46 ARG HH21 3.446 . 4.931 2.287 2.275 2.303 . 0 0 "[ . 1 . 2]" 1
978 1 46 ARG QG 1 47 VAL H 3.688 . 3.782 2.461 1.996 3.595 . 0 0 "[ . 1 . 2]" 1
979 1 46 ARG QG 1 47 VAL MG2 3.114 . 4.326 2.770 2.321 4.059 . 0 0 "[ . 1 . 2]" 1
980 1 47 VAL H 1 47 VAL HA 2.953 . 4.043 2.798 2.766 2.832 . 0 0 "[ . 1 . 2]" 1
981 1 47 VAL H 1 47 VAL HB 2.145 . 2.720 2.422 2.342 2.475 . 0 0 "[ . 1 . 2]" 1
982 1 47 VAL H 1 47 VAL MG1 3.385 . 4.817 3.742 3.706 3.773 . 0 0 "[ . 1 . 2]" 1
983 1 47 VAL H 1 47 VAL MG2 2.435 . 3.176 2.210 1.961 2.351 . 0 0 "[ . 1 . 2]" 1
984 1 47 VAL H 1 49 LYS H 4.412 . 6.845 4.288 3.812 4.512 . 0 0 "[ . 1 . 2]" 1
985 1 47 VAL HA 1 47 VAL HB 2.813 . 3.802 3.021 3.013 3.026 . 0 0 "[ . 1 . 2]" 1
986 1 47 VAL HA 1 47 VAL MG1 2.542 . 3.349 2.502 2.424 2.583 . 0 0 "[ . 1 . 2]" 1
987 1 47 VAL HA 1 47 VAL MG2 2.395 . 3.112 2.319 2.265 2.383 . 0 0 "[ . 1 . 2]" 1
988 1 47 VAL HA 1 48 ARG H 3.683 . 5.379 3.481 3.457 3.516 . 0 0 "[ . 1 . 2]" 1
989 1 47 VAL HA 1 49 LYS H 4.165 . 6.333 4.276 3.956 4.534 . 0 0 "[ . 1 . 2]" 1
990 1 47 VAL HA 1 50 ASP H 3.439 . 4.918 3.550 3.295 3.840 . 0 0 "[ . 1 . 2]" 1
991 1 47 VAL HA 1 50 ASP QB 3.639 . 5.294 2.630 2.093 3.090 . 0 0 "[ . 1 . 2]" 1
992 1 47 VAL HA 1 51 MET H 4.392 . 6.803 4.417 2.434 5.361 . 0 0 "[ . 1 . 2]" 1
993 1 47 VAL HB 1 47 VAL MG1 1.772 . 2.164 2.126 2.117 2.132 . 0 0 "[ . 1 . 2]" 1
994 1 47 VAL HB 1 47 VAL MG2 1.898 . 2.348 2.127 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
995 1 47 VAL HB 1 50 ASP QB 3.999 . 5.998 5.316 4.776 5.685 . 0 0 "[ . 1 . 2]" 1
996 1 47 VAL MG1 1 48 ARG H 2.802 . 3.783 3.544 3.403 3.791 0.008 14 0 "[ . 1 . 2]" 1
997 1 47 VAL MG1 1 48 ARG HB2 3.587 . 5.195 5.103 4.924 5.221 0.026 12 0 "[ . 1 . 2]" 1
998 1 47 VAL MG1 1 48 ARG HG2 3.122 . 4.340 4.275 4.023 4.363 0.023 2 0 "[ . 1 . 2]" 1
999 1 47 VAL MG1 1 48 ARG HG3 2.892 . 3.938 3.909 3.559 4.018 0.080 2 0 "[ . 1 . 2]" 1
1000 1 47 VAL MG1 1 49 LYS H 3.803 . 5.611 4.966 4.747 5.125 . 0 0 "[ . 1 . 2]" 1
1001 1 47 VAL MG1 1 50 ASP H 3.758 . 5.523 4.919 4.583 5.220 . 0 0 "[ . 1 . 2]" 1
1002 1 47 VAL MG1 1 51 MET H 3.958 . 5.916 4.600 3.420 5.329 . 0 0 "[ . 1 . 2]" 1
1003 1 47 VAL MG1 1 51 MET ME 1.446 . 1.707 1.804 1.776 1.855 0.148 14 0 "[ . 1 . 2]" 1
1004 1 47 VAL MG1 1 51 MET QG 2.847 . 3.860 3.222 2.207 3.673 . 0 0 "[ . 1 . 2]" 1
1005 1 47 VAL MG2 1 48 ARG HA 4.071 . 6.142 5.425 5.360 5.476 . 0 0 "[ . 1 . 2]" 1
1006 1 47 VAL MG2 1 49 LYS H 4.535 . 7.106 5.464 5.132 5.694 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ARG H 1 48 ARG HA 2.676 . 3.571 2.862 2.806 2.913 . 0 0 "[ . 1 . 2]" 1
1008 1 48 ARG H 1 48 ARG HB2 2.073 . 2.610 2.379 2.309 2.505 . 0 0 "[ . 1 . 2]" 1
1009 1 48 ARG H 1 48 ARG HD3 4.016 . 6.032 4.580 3.959 5.079 . 0 0 "[ . 1 . 2]" 1
1010 1 48 ARG H 1 48 ARG HG2 4.056 . 6.113 3.742 3.447 4.015 . 0 0 "[ . 1 . 2]" 1
1011 1 48 ARG H 1 48 ARG HG3 2.665 . 3.553 2.578 2.146 2.923 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ARG H 1 49 LYS H 2.592 . 3.432 2.507 2.304 2.699 . 0 0 "[ . 1 . 2]" 1
1013 1 48 ARG H 1 50 ASP H 4.254 . 6.516 3.976 3.867 4.092 . 0 0 "[ . 1 . 2]" 1
1014 1 48 ARG HA 1 48 ARG HB2 2.491 . 3.267 3.013 3.000 3.023 . 0 0 "[ . 1 . 2]" 1
1015 1 48 ARG HA 1 48 ARG HD3 4.860 . 7.812 4.546 4.322 4.768 . 0 0 "[ . 1 . 2]" 1
1016 1 48 ARG HA 1 48 ARG HG3 2.772 . 3.733 2.949 2.858 3.051 . 0 0 "[ . 1 . 2]" 1
1017 1 48 ARG HA 1 49 LYS H 2.919 . 3.984 3.511 3.436 3.562 . 0 0 "[ . 1 . 2]" 1
1018 1 48 ARG HA 1 51 MET H 4.042 . 6.084 4.155 3.571 5.495 . 0 0 "[ . 1 . 2]" 1
1019 1 48 ARG HA 1 51 MET ME 2.445 . 3.192 2.959 2.015 3.265 0.073 14 0 "[ . 1 . 2]" 1
1020 1 48 ARG HA 1 51 MET QG 2.783 . 3.751 2.669 2.002 3.768 0.017 19 0 "[ . 1 . 2]" 1
1021 1 48 ARG HB2 1 48 ARG HD3 2.512 . 3.301 2.966 2.424 3.792 0.491 15 0 "[ . 1 . 2]" 1
1022 1 48 ARG HB2 1 48 ARG HG3 2.149 . 2.726 2.448 2.400 2.490 . 0 0 "[ . 1 . 2]" 1
1023 1 48 ARG HB2 1 49 LYS H 2.917 . 3.980 2.883 2.586 3.168 . 0 0 "[ . 1 . 2]" 1
1024 1 48 ARG HD3 1 48 ARG HG2 2.586 . 3.422 2.666 2.331 3.016 . 0 0 "[ . 1 . 2]" 1
1025 1 48 ARG HD3 1 48 ARG HG3 2.456 . 3.210 2.662 2.424 3.021 . 0 0 "[ . 1 . 2]" 1
1026 1 48 ARG HD3 1 49 LYS H 4.799 . 7.678 5.750 5.145 6.661 . 0 0 "[ . 1 . 2]" 1
1027 1 49 LYS H 1 49 LYS HA 2.617 . 3.473 2.892 2.830 2.928 . 0 0 "[ . 1 . 2]" 1
1028 1 49 LYS H 1 49 LYS QB 1.866 . 2.301 2.297 2.066 2.428 0.127 18 0 "[ . 1 . 2]" 1
1029 1 49 LYS H 1 49 LYS QD 2.544 . 3.353 2.448 1.711 3.568 0.215 8 0 "[ . 1 . 2]" 1
1030 1 49 LYS H 1 50 ASP H 2.654 . 3.535 2.347 2.179 2.561 . 0 0 "[ . 1 . 2]" 1
1031 1 49 LYS H 1 50 ASP QB 5.566 . 9.439 4.093 3.872 4.340 . 0 0 "[ . 1 . 2]" 1
1032 1 49 LYS HA 1 49 LYS QB 2.568 . 3.171 2.324 2.196 2.409 . 0 0 "[ . 1 . 2]" 1
1033 1 49 LYS HA 1 49 LYS QD 2.955 . 4.047 3.529 3.139 3.947 . 0 0 "[ . 1 . 2]" 1
1034 1 49 LYS HA 1 49 LYS HG3 3.291 . 4.645 2.896 2.353 3.829 . 0 0 "[ . 1 . 2]" 1
1035 1 49 LYS HA 1 50 ASP H 3.271 . 4.608 3.519 3.469 3.556 . 0 0 "[ . 1 . 2]" 1
1036 1 49 LYS QB 1 49 LYS QD 2.015 . 2.522 2.239 2.032 2.379 . 0 0 "[ . 1 . 2]" 1
1037 1 49 LYS QB 1 50 ASP H 2.585 . 3.420 2.581 2.313 2.966 . 0 0 "[ . 1 . 2]" 1
1038 1 49 LYS QD 1 50 ASP H 2.699 . 3.609 3.100 2.065 3.758 0.149 14 0 "[ . 1 . 2]" 1
1039 1 49 LYS QD 1 51 MET H 5.173 . 8.519 5.058 4.152 6.484 . 0 0 "[ . 1 . 2]" 1
1040 1 49 LYS HE2 1 49 LYS HG2 2.576 . 3.405 3.227 2.554 3.708 0.303 12 0 "[ . 1 . 2]" 1
1041 1 50 ASP H 1 50 ASP QB 2.510 . 3.297 2.190 2.087 2.266 . 0 0 "[ . 1 . 2]" 1
1042 1 50 ASP H 1 51 MET H 2.299 . 2.960 2.841 2.678 3.258 0.298 7 0 "[ . 1 . 2]" 1
1043 1 50 ASP HA 1 50 ASP QB 4.301 . 5.529 2.433 2.370 2.491 . 0 0 "[ . 1 . 2]" 1
1044 1 50 ASP HA 1 51 MET H 3.212 . 4.502 3.303 2.666 3.499 . 0 0 "[ . 1 . 2]" 1
1045 1 50 ASP QB 1 51 MET H 3.094 . 4.291 3.209 1.803 3.853 0.178 6 0 "[ . 1 . 2]" 1
1046 1 51 MET H 1 51 MET HA 2.666 . 3.555 2.812 2.273 2.936 . 0 0 "[ . 1 . 2]" 1
1047 1 51 MET H 1 51 MET QB 2.207 . 2.816 2.448 2.222 2.822 0.006 6 0 "[ . 1 . 2]" 1
1048 1 51 MET H 1 51 MET ME 4.055 . 6.111 4.353 3.593 5.114 . 0 0 "[ . 1 . 2]" 1
1049 1 51 MET H 1 51 MET QG 2.456 . 3.210 2.482 1.922 3.174 . 0 0 "[ . 1 . 2]" 1
1050 1 51 MET HA 1 51 MET QB 2.425 . 3.160 2.372 2.142 2.492 . 0 0 "[ . 1 . 2]" 1
1051 1 51 MET HA 1 51 MET ME 3.140 . 4.373 4.014 3.646 4.457 0.084 17 0 "[ . 1 . 2]" 1
1052 1 51 MET HA 1 51 MET QG 3.354 . 4.760 2.876 2.295 3.350 . 0 0 "[ . 1 . 2]" 1
1053 1 51 MET HA 1 52 TYR H 2.791 . 3.765 3.054 2.123 3.563 . 0 0 "[ . 1 . 2]" 1
1054 1 51 MET QB 1 51 MET QG 3.496 . 3.859 2.017 1.987 2.083 . 0 0 "[ . 1 . 2]" 1
1055 1 51 MET QB 1 52 TYR H 3.219 . 4.514 2.714 1.774 4.029 0.150 14 0 "[ . 1 . 2]" 1
1056 1 51 MET ME 1 51 MET QG 2.295 . 2.954 2.269 2.197 2.501 . 0 0 "[ . 1 . 2]" 1
1057 1 51 MET ME 1 52 TYR HD1 4.790 . 7.658 5.957 2.962 7.356 . 0 0 "[ . 1 . 2]" 1
1058 1 51 MET ME 1 52 TYR HE1 4.290 . 6.591 5.863 3.318 6.652 0.061 13 0 "[ . 1 . 2]" 1
1059 1 51 MET QG 1 52 TYR H 3.554 . 5.133 4.061 3.143 4.462 . 0 0 "[ . 1 . 2]" 1
1060 1 52 TYR H 1 52 TYR HA 2.755 . 3.703 2.812 2.257 2.945 . 0 0 "[ . 1 . 2]" 1
1061 1 52 TYR H 1 52 TYR HB2 2.780 . 3.746 3.173 2.503 4.066 0.320 6 0 "[ . 1 . 2]" 1
1062 1 52 TYR H 1 52 TYR HB3 3.348 . 4.749 3.647 2.935 4.092 . 0 0 "[ . 1 . 2]" 1
1063 1 52 TYR H 1 52 TYR HD1 4.286 . 6.582 3.415 2.142 4.662 . 0 0 "[ . 1 . 2]" 1
1064 1 52 TYR HA 1 52 TYR HB3 2.863 . 3.888 2.434 2.286 3.027 . 0 0 "[ . 1 . 2]" 1
1065 1 52 TYR HA 1 52 TYR HD1 4.066 . 6.133 3.845 2.222 4.549 . 0 0 "[ . 1 . 2]" 1
1066 1 52 TYR HB2 1 52 TYR HD1 3.702 . 5.416 2.985 2.295 3.739 . 0 0 "[ . 1 . 2]" 1
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