NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425252 |
2ggr   |
7129 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ggr
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 951
_Distance_constraint_stats_list.Viol_count 1950
_Distance_constraint_stats_list.Viol_total 7416.428
_Distance_constraint_stats_list.Viol_max 1.663
_Distance_constraint_stats_list.Viol_rms 0.0825
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0195
_Distance_constraint_stats_list.Viol_average_violations_only 0.1902
_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 8 GLY 11.695 0.664 5 11 "[- * +* **** ** * 2]"
1 9 PRO 13.330 0.664 5 12 "[- * +* **** ** * *2]"
1 10 ILE 12.626 1.663 8 4 "[ . + 1 . **-2]"
1 11 TYR 26.932 0.703 4 16 "[* *+** * **** **-***]"
1 12 ALA 6.690 0.673 18 10 "[* .* *1* * -**+ *]"
1 13 ARG 15.438 0.582 18 4 "[ -. 1 * *. + 2]"
1 14 VAL 17.337 0.519 15 3 "[ -. 1 *+ 2]"
1 15 ILE 13.860 0.279 5 0 "[ . 1 . 2]"
1 16 GLN 16.697 0.659 16 4 "[ *. 1 * .+- 2]"
1 17 LYS 21.517 0.860 10 4 "[ ** - + . 2]"
1 18 ARG 5.292 0.390 9 0 "[ . 1 . 2]"
1 19 VAL 8.310 0.634 20 8 "[ * - 1 *** **+]"
1 20 PRO 22.516 0.634 20 9 "[ * - * 1 *** **+]"
1 21 ASN 10.599 0.754 19 16 "[ *-******1 ******+*]"
1 22 ALA 0.315 0.076 9 0 "[ . 1 . 2]"
1 23 TYR 4.866 0.395 11 0 "[ . 1 . 2]"
1 24 ASP 15.574 0.892 11 4 "[ - .* * 1+ . 2]"
1 25 LYS 19.342 0.804 6 4 "[ - .+ * 1 . * 2]"
1 26 THR 10.471 0.237 11 0 "[ . 1 . 2]"
1 27 ALA 4.502 0.248 14 0 "[ . 1 . 2]"
1 28 LEU 19.003 0.892 11 8 "[ - ** * *+ .* * 2]"
1 29 ALA 14.320 0.754 19 16 "[ *-******1 ******+*]"
1 30 LEU 31.002 0.761 16 3 "[ . 1 * -+ 2]"
1 31 GLU 34.427 0.621 9 4 "[ . +1- * * 2]"
1 32 VAL 18.786 0.916 1 9 "[+ .* **** .- **2]"
1 33 GLY 14.624 0.916 1 9 "[+ .* **** .- **2]"
1 34 GLU 14.685 0.621 9 3 "[ . +1- . * 2]"
1 35 LEU 29.427 0.673 18 17 "[* **** ****** -**+**]"
1 36 VAL 0.763 0.356 20 0 "[ . 1 . 2]"
1 37 LYS 15.280 0.703 4 6 "[ +** 1 -* *2]"
1 38 VAL 10.320 1.663 8 3 "[ . + 1 . *- 2]"
1 39 THR 1.520 0.556 5 1 "[ + 1 . 2]"
1 40 LYS 2.302 0.503 11 1 "[ . 1+ . 2]"
1 41 ILE 6.573 0.196 14 0 "[ . 1 . 2]"
1 42 ASN 7.428 0.539 3 2 "[ + . 1 - 2]"
1 43 VAL 4.170 0.649 9 1 "[ . +1 . 2]"
1 44 SER 2.965 0.649 9 1 "[ . +1 . 2]"
1 45 GLY 5.026 0.769 14 1 "[ . 1 +. 2]"
1 46 GLN 1.897 0.120 3 0 "[ . 1 . 2]"
1 47 TRP 23.863 0.854 18 6 "[* * . 1 *- +*2]"
1 48 GLU 3.862 0.361 14 0 "[ . 1 . 2]"
1 49 GLY 10.723 0.592 4 3 "[- +. 1 . *2]"
1 50 GLU 7.207 0.783 4 5 "[ +. 1*-**. 2]"
1 51 CYS 1.857 0.356 20 0 "[ . 1 . 2]"
1 52 ASN 0.014 0.010 5 0 "[ . 1 . 2]"
1 53 GLY 0.567 0.135 20 0 "[ . 1 . 2]"
1 54 LYS 0.606 0.115 16 0 "[ . 1 . 2]"
1 55 ARG 14.483 0.818 19 10 "[ * *. **-* ** *+2]"
1 56 GLY 3.935 0.487 12 0 "[ . 1 . 2]"
1 57 HIS 10.584 0.892 11 4 "[ - .* * 1+ . 2]"
1 58 PHE 5.450 0.248 14 0 "[ . 1 . 2]"
1 59 PRO 3.584 0.301 4 0 "[ . 1 . 2]"
1 60 PHE 8.346 0.854 18 1 "[ . 1 . + 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 HIS 13.938 0.659 16 1 "[ . 1 .+ 2]"
1 63 VAL 8.864 0.740 11 6 "[ ** 1+-* * 2]"
1 64 ARG 8.836 0.740 11 6 "[ ** 1+-* * 2]"
1 65 LEU 14.621 0.934 4 5 "[ +.* - *. * 2]"
1 66 LEU 7.826 1.185 11 2 "[ . 1+ -. 2]"
1 67 ASP 17.615 0.758 15 2 "[ . - 1 + 2]"
1 68 GLN 22.243 0.758 15 2 "[ . - 1 + 2]"
1 69 GLN 10.657 0.543 15 1 "[ . 1 + 2]"
1 70 ASN 4.883 0.347 3 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 8 GLY H 1 8 GLY HA2 2.716 . 3.638 2.912 2.837 2.950 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLY H 1 8 GLY HA3 2.759 . 3.710 2.372 2.298 2.538 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLY H 1 9 PRO HD2 3.768 . 5.543 4.801 1.613 5.420 0.380 3 0 "[ . 1 . 2]" 1
4 1 8 GLY HA2 1 9 PRO HD2 2.254 . 2.889 2.792 2.521 3.553 0.664 5 3 "[ * +- 1 . 2]" 1
5 1 8 GLY HA3 1 9 PRO HD2 2.235 . 2.859 3.195 2.124 3.494 0.635 10 8 "[- . **+* ** * 2]" 1
6 1 8 GLY HA3 1 9 PRO HD2 2.350 . 6.000 3.468 2.133 3.991 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLY HA3 1 11 TYR H 3.899 . 5.799 5.753 5.423 5.893 0.094 2 0 "[ . 1 . 2]" 1
8 1 9 PRO HA 1 9 PRO HB2 2.359 . 3.054 2.826 2.719 2.884 . 0 0 "[ . 1 . 2]" 1
9 1 9 PRO HA 1 9 PRO HB3 2.679 . 3.576 2.272 2.256 2.301 . 0 0 "[ . 1 . 2]" 1
10 1 9 PRO HA 1 10 ILE H 2.153 . 2.732 2.180 2.072 2.295 . 0 0 "[ . 1 . 2]" 1
11 1 9 PRO HA 1 10 ILE MD 2.777 . 6.000 4.802 3.541 5.765 . 0 0 "[ . 1 . 2]" 1
12 1 9 PRO HB2 1 11 TYR QE 3.426 . 6.000 5.111 4.270 5.571 . 0 0 "[ . 1 . 2]" 1
13 1 9 PRO HB3 1 9 PRO HD2 2.917 . 3.980 3.907 3.833 4.047 0.067 6 0 "[ . 1 . 2]" 1
14 1 9 PRO HB3 1 37 LYS HE3 2.851 . 3.867 3.808 2.967 4.434 0.567 19 1 "[ . 1 . +2]" 1
15 1 9 PRO HB3 1 37 LYS QG 3.008 . 4.139 2.860 2.148 3.893 . 0 0 "[ . 1 . 2]" 1
16 1 9 PRO HD2 1 9 PRO HG2 2.119 . 2.680 2.318 2.270 2.346 . 0 0 "[ . 1 . 2]" 1
17 1 9 PRO HG2 1 10 ILE H 2.996 . 6.000 5.521 5.211 5.749 . 0 0 "[ . 1 . 2]" 1
18 1 10 ILE H 1 10 ILE HA 2.821 . 3.816 2.920 2.891 2.952 . 0 0 "[ . 1 . 2]" 1
19 1 10 ILE H 1 10 ILE HB 2.806 . 3.790 3.581 3.252 3.825 0.035 17 0 "[ . 1 . 2]" 1
20 1 10 ILE H 1 10 ILE MD 3.249 . 4.569 3.120 1.957 4.366 . 0 0 "[ . 1 . 2]" 1
21 1 10 ILE H 1 10 ILE QG 3.134 . 4.296 3.402 2.506 4.050 . 0 0 "[ . 1 . 2]" 1
22 1 10 ILE H 1 10 ILE MG 3.265 . 4.598 1.944 1.756 2.297 0.176 13 0 "[ . 1 . 2]" 1
23 1 10 ILE H 1 38 VAL H 3.585 . 5.192 3.616 3.317 4.173 . 0 0 "[ . 1 . 2]" 1
24 1 10 ILE H 1 68 GLN QE 3.365 . 4.781 4.327 3.675 4.675 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE HA 1 10 ILE HB 2.797 . 3.775 2.255 2.192 2.351 . 0 0 "[ . 1 . 2]" 1
26 1 10 ILE HA 1 10 ILE MD 3.014 . 4.150 3.830 3.593 4.068 . 0 0 "[ . 1 . 2]" 1
27 1 10 ILE HA 1 10 ILE MG 1.969 . 6.000 2.776 2.515 3.125 . 0 0 "[ . 1 . 2]" 1
28 1 10 ILE HA 1 11 TYR H 2.378 . 3.085 2.329 2.174 2.447 . 0 0 "[ . 1 . 2]" 1
29 1 10 ILE HA 1 11 TYR QD 3.337 . 4.729 4.071 3.824 4.376 . 0 0 "[ . 1 . 2]" 1
30 1 10 ILE HA 1 11 TYR QE 3.952 . 5.904 5.066 4.597 5.455 . 0 0 "[ . 1 . 2]" 1
31 1 10 ILE HA 1 68 GLN H 2.907 . 3.963 3.999 3.692 4.161 0.198 12 0 "[ . 1 . 2]" 1
32 1 10 ILE HB 1 10 ILE MD 2.635 . 6.000 2.915 2.157 3.225 . 0 0 "[ . 1 . 2]" 1
33 1 10 ILE HB 1 10 ILE QG 2.583 . 3.417 2.232 2.154 2.447 . 0 0 "[ . 1 . 2]" 1
34 1 10 ILE HB 1 10 ILE MG 2.239 . 6.000 2.113 2.105 2.121 . 0 0 "[ . 1 . 2]" 1
35 1 10 ILE HB 1 11 TYR H 2.289 . 2.944 2.409 2.225 2.563 . 0 0 "[ . 1 . 2]" 1
36 1 10 ILE HB 1 68 GLN HB3 2.660 . 3.545 2.996 1.778 3.610 0.065 9 0 "[ . 1 . 2]" 1
37 1 10 ILE MD 1 10 ILE MG 2.112 . 2.669 1.750 1.499 1.938 0.056 11 0 "[ . 1 . 2]" 1
38 1 10 ILE MD 1 11 TYR H 2.236 . 6.000 2.719 1.765 3.509 . 0 0 "[ . 1 . 2]" 1
39 1 10 ILE QG 1 10 ILE MG 2.667 . 3.018 2.391 2.197 2.570 . 0 0 "[ . 1 . 2]" 1
40 1 10 ILE QG 1 11 TYR HA 2.143 . 6.000 3.418 3.103 3.706 . 0 0 "[ . 1 . 2]" 1
41 1 10 ILE QG 1 12 ALA HA 2.790 . 3.897 3.560 3.175 3.818 . 0 0 "[ . 1 . 2]" 1
42 1 10 ILE QG 1 12 ALA MB 2.379 . 3.086 2.739 2.320 3.041 . 0 0 "[ . 1 . 2]" 1
43 1 10 ILE QG 1 68 GLN H 2.536 . 3.340 3.361 3.199 3.497 0.157 11 0 "[ . 1 . 2]" 1
44 1 10 ILE QG 1 38 VAL HB 2.815 . 4.096 3.932 2.406 5.759 1.663 8 3 "[ . + 1 . *- 2]" 1
45 1 10 ILE QG 1 38 VAL QG 2.494 . 6.000 2.794 1.248 3.733 0.469 19 0 "[ . 1 . 2]" 1
46 1 10 ILE QG 1 65 LEU QB 2.815 . 6.000 2.916 2.125 5.177 . 0 0 "[ . 1 . 2]" 1
47 1 10 ILE QG 1 66 LEU H 3.239 . 4.550 3.479 2.365 3.963 . 0 0 "[ . 1 . 2]" 1
48 1 10 ILE MG 1 12 ALA MB 2.529 . 6.000 4.516 3.825 4.925 . 0 0 "[ . 1 . 2]" 1
49 1 11 TYR H 1 11 TYR HB3 2.602 . 3.448 2.706 2.671 2.750 . 0 0 "[ . 1 . 2]" 1
50 1 11 TYR H 1 11 TYR QD 3.299 . 4.660 3.258 2.937 3.906 . 0 0 "[ . 1 . 2]" 1
51 1 11 TYR H 1 11 TYR QE 4.196 . 6.397 5.093 4.822 5.695 . 0 0 "[ . 1 . 2]" 1
52 1 11 TYR H 1 12 ALA H 3.925 . 5.851 4.362 4.287 4.485 . 0 0 "[ . 1 . 2]" 1
53 1 11 TYR H 1 66 LEU H 3.219 . 4.514 4.146 3.801 4.401 . 0 0 "[ . 1 . 2]" 1
54 1 11 TYR H 1 67 ASP HA 3.214 . 4.357 4.556 4.343 4.666 0.309 15 0 "[ . 1 . 2]" 1
55 1 11 TYR HA 1 11 TYR HB2 2.742 . 3.682 3.017 2.962 3.031 . 0 0 "[ . 1 . 2]" 1
56 1 11 TYR HA 1 11 TYR HB3 2.589 . 3.427 2.563 2.513 2.715 . 0 0 "[ . 1 . 2]" 1
57 1 11 TYR HA 1 11 TYR QD 2.705 . 3.620 2.459 1.986 2.631 . 0 0 "[ . 1 . 2]" 1
58 1 11 TYR HA 1 12 ALA H 2.384 . 3.095 2.184 2.126 2.274 . 0 0 "[ . 1 . 2]" 1
59 1 11 TYR HA 1 37 LYS H 4.022 . 6.044 4.303 4.178 4.424 . 0 0 "[ . 1 . 2]" 1
60 1 11 TYR HA 1 37 LYS HA 2.561 . 3.381 2.453 2.244 2.683 . 0 0 "[ . 1 . 2]" 1
61 1 11 TYR HA 1 37 LYS QG 2.675 . 3.569 3.718 3.261 4.007 0.438 4 0 "[ . 1 . 2]" 1
62 1 11 TYR HA 1 38 VAL H 3.103 . 4.306 3.571 3.367 4.007 . 0 0 "[ . 1 . 2]" 1
63 1 11 TYR HB2 1 11 TYR QD 2.609 . 6.000 2.300 2.271 2.327 . 0 0 "[ . 1 . 2]" 1
64 1 11 TYR HB2 1 12 ALA H 2.857 . 6.000 4.345 4.257 4.422 . 0 0 "[ . 1 . 2]" 1
65 1 11 TYR HB2 1 66 LEU HB2 2.560 . 3.379 2.100 1.736 2.486 0.005 12 0 "[ . 1 . 2]" 1
66 1 11 TYR HB2 1 66 LEU HB2 2.772 . 3.732 2.199 1.765 2.648 0.047 12 0 "[ . 1 . 2]" 1
67 1 11 TYR HB2 1 66 LEU HB3 2.878 . 3.913 3.585 3.125 3.957 0.044 9 0 "[ . 1 . 2]" 1
68 1 11 TYR HB3 1 11 TYR QD 2.516 . 3.308 2.564 2.464 2.748 . 0 0 "[ . 1 . 2]" 1
69 1 11 TYR HB3 1 66 LEU HB2 3.044 . 4.202 3.290 2.223 3.821 . 0 0 "[ . 1 . 2]" 1
70 1 11 TYR HB3 1 66 LEU HB3 2.979 . 6.000 4.764 3.700 5.436 . 0 0 "[ . 1 . 2]" 1
71 1 11 TYR HB3 1 66 LEU QD 2.499 . 6.000 2.731 2.079 3.380 . 0 0 "[ . 1 . 2]" 1
72 1 11 TYR QD 1 12 ALA H 3.494 . 5.020 3.774 2.840 4.011 . 0 0 "[ . 1 . 2]" 1
73 1 11 TYR QD 1 35 LEU QD 2.986 . 4.100 1.851 1.284 2.554 0.588 16 3 "[ .* 1 -+ 2]" 1
74 1 11 TYR QD 1 35 LEU HG 3.053 . 4.218 3.282 2.795 3.695 . 0 0 "[ . 1 . 2]" 1
75 1 11 TYR QD 1 37 LYS HA 3.344 . 4.742 3.136 2.618 3.669 . 0 0 "[ . 1 . 2]" 1
76 1 11 TYR QD 1 37 LYS HB2 3.215 . 4.507 2.855 2.205 3.349 . 0 0 "[ . 1 . 2]" 1
77 1 11 TYR QD 1 37 LYS HB3 3.925 . 5.851 4.493 3.941 4.960 . 0 0 "[ . 1 . 2]" 1
78 1 11 TYR QD 1 52 ASN QD 1.465 . 6.000 5.292 4.804 5.774 . 0 0 "[ . 1 . 2]" 1
79 1 11 TYR QE 1 35 LEU QD 3.498 . 5.027 3.216 2.826 3.776 . 0 0 "[ . 1 . 2]" 1
80 1 11 TYR QE 1 35 LEU HG 3.148 . 4.387 4.865 3.585 5.024 0.637 3 15 "[* +** * **** **-***]" 1
81 1 11 TYR QE 1 37 LYS HA 3.972 . 5.944 4.220 3.627 4.847 . 0 0 "[ . 1 . 2]" 1
82 1 11 TYR QE 1 37 LYS HB2 2.949 . 4.036 2.524 2.054 3.390 . 0 0 "[ . 1 . 2]" 1
83 1 11 TYR QE 1 37 LYS HB3 3.507 . 5.044 4.028 3.523 4.801 . 0 0 "[ . 1 . 2]" 1
84 1 11 TYR QE 1 37 LYS HD2 3.404 . 4.853 3.353 2.035 4.905 0.052 11 0 "[ . 1 . 2]" 1
85 1 11 TYR QE 1 37 LYS HE2 3.475 . 4.985 4.191 1.957 5.688 0.703 4 1 "[ +. 1 . 2]" 1
86 1 11 TYR QE 1 37 LYS QG 3.353 . 4.758 3.052 2.025 3.821 . 0 0 "[ . 1 . 2]" 1
87 1 12 ALA H 1 12 ALA MB 2.730 . 3.662 2.435 2.395 2.577 . 0 0 "[ . 1 . 2]" 1
88 1 12 ALA H 1 13 ARG H 3.515 . 5.059 4.231 4.087 4.276 . 0 0 "[ . 1 . 2]" 1
89 1 12 ALA H 1 35 LEU HA 3.755 . 5.517 4.310 4.025 4.608 . 0 0 "[ . 1 . 2]" 1
90 1 12 ALA H 1 35 LEU QD 3.146 . 4.383 2.499 2.295 2.934 . 0 0 "[ . 1 . 2]" 1
91 1 12 ALA H 1 35 LEU HG 3.183 . 4.449 4.271 3.113 5.122 0.673 18 10 "[* .* *1* * -**+ *]" 1
92 1 12 ALA H 1 36 VAL H 2.961 . 4.057 2.695 2.276 3.034 . 0 0 "[ . 1 . 2]" 1
93 1 12 ALA H 1 36 VAL QG 3.679 . 5.370 2.843 2.463 3.619 . 0 0 "[ . 1 . 2]" 1
94 1 12 ALA H 1 37 LYS HA 3.535 . 5.097 3.405 2.990 3.705 . 0 0 "[ . 1 . 2]" 1
95 1 12 ALA HA 1 12 ALA MB 2.118 . 2.679 2.125 2.115 2.134 . 0 0 "[ . 1 . 2]" 1
96 1 12 ALA HA 1 13 ARG H 2.210 . 2.820 2.082 2.045 2.130 . 0 0 "[ . 1 . 2]" 1
97 1 12 ALA HA 1 36 VAL H 3.295 . 4.652 3.709 3.498 3.926 . 0 0 "[ . 1 . 2]" 1
98 1 12 ALA HA 1 13 ARG HB2 2.452 . 6.000 4.407 4.013 4.855 . 0 0 "[ . 1 . 2]" 1
99 1 12 ALA HA 1 65 LEU HA 2.285 . 2.938 1.952 1.605 2.389 0.027 7 0 "[ . 1 . 2]" 1
100 1 12 ALA HA 1 66 LEU H 2.549 . 3.361 2.615 2.235 3.042 . 0 0 "[ . 1 . 2]" 1
101 1 12 ALA HA 1 66 LEU HG 2.470 . 6.000 4.870 3.321 6.018 0.018 14 0 "[ . 1 . 2]" 1
102 1 12 ALA MB 1 13 ARG H 2.705 . 3.620 3.236 3.188 3.271 . 0 0 "[ . 1 . 2]" 1
103 1 12 ALA MB 1 36 VAL H 3.739 . 5.487 3.322 2.975 3.648 . 0 0 "[ . 1 . 2]" 1
104 1 12 ALA MB 1 36 VAL HB 2.607 . 6.000 4.172 2.131 4.512 . 0 0 "[ . 1 . 2]" 1
105 1 12 ALA MB 1 63 VAL QG 2.363 . 6.000 1.737 1.473 2.218 0.192 12 0 "[ . 1 . 2]" 1
106 1 12 ALA MB 1 63 VAL QG 2.126 . 6.000 2.365 1.692 3.053 . 0 0 "[ . 1 . 2]" 1
107 1 12 ALA MB 1 65 LEU HA 2.456 . 3.210 2.551 1.869 3.012 . 0 0 "[ . 1 . 2]" 1
108 1 13 ARG H 1 13 ARG HB2 2.364 . 3.063 2.507 2.044 2.968 . 0 0 "[ . 1 . 2]" 1
109 1 13 ARG H 1 64 ARG H 2.541 . 6.000 3.672 3.038 4.058 . 0 0 "[ . 1 . 2]" 1
110 1 13 ARG H 1 65 LEU H 3.793 . 5.591 4.579 4.350 4.776 . 0 0 "[ . 1 . 2]" 1
111 1 13 ARG H 1 65 LEU HA 3.155 . 4.399 2.410 2.033 2.905 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG H 1 66 LEU H 3.397 . 4.840 3.123 2.776 3.681 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG H 1 66 LEU QD 2.854 . 3.872 3.000 2.394 3.532 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG HA 1 13 ARG HB2 2.588 . 2.930 2.566 2.318 2.898 . 0 0 "[ . 1 . 2]" 1
115 1 13 ARG HA 1 13 ARG HD2 2.759 . 3.711 3.386 2.453 3.828 0.117 13 0 "[ . 1 . 2]" 1
116 1 13 ARG HA 1 13 ARG HD3 2.684 . 3.584 2.573 2.027 3.733 0.149 17 0 "[ . 1 . 2]" 1
117 1 13 ARG HA 1 13 ARG QG 2.572 . 3.399 2.634 2.275 3.023 . 0 0 "[ . 1 . 2]" 1
118 1 13 ARG HA 1 14 VAL H 2.249 . 2.525 2.173 2.138 2.234 . 0 0 "[ . 1 . 2]" 1
119 1 13 ARG HA 1 14 VAL HB 3.138 . 6.000 4.858 4.729 5.604 . 0 0 "[ . 1 . 2]" 1
120 1 13 ARG HA 1 35 LEU HA 2.537 . 3.342 2.478 2.344 2.658 . 0 0 "[ . 1 . 2]" 1
121 1 13 ARG HA 1 35 LEU QD 2.588 . 3.425 2.543 2.200 2.756 . 0 0 "[ . 1 . 2]" 1
122 1 13 ARG HB2 1 14 VAL H 3.019 . 4.158 4.497 4.276 4.666 0.508 14 2 "[ -. 1 +. 2]" 1
123 1 13 ARG HB2 1 65 LEU QB 1.394 . 6.000 5.976 5.541 6.582 0.582 18 1 "[ . 1 . + 2]" 1
124 1 13 ARG HB2 1 66 LEU QD 2.140 . 2.712 2.583 2.053 3.079 0.367 20 0 "[ . 1 . 2]" 1
125 1 13 ARG HD2 1 13 ARG QG 2.360 . 3.056 2.292 2.158 2.496 . 0 0 "[ . 1 . 2]" 1
126 1 13 ARG HD2 1 33 GLY H 3.169 . 4.425 4.160 3.507 4.519 0.094 5 0 "[ . 1 . 2]" 1
127 1 13 ARG HD2 1 33 GLY QA 3.017 . 4.015 2.950 2.477 3.548 . 0 0 "[ . 1 . 2]" 1
128 1 13 ARG HD3 1 13 ARG QG 2.668 . 3.558 2.335 2.161 2.501 . 0 0 "[ . 1 . 2]" 1
129 1 13 ARG HD3 1 14 VAL H 3.309 . 4.677 3.434 2.708 4.767 0.090 10 0 "[ . 1 . 2]" 1
130 1 13 ARG HD3 1 33 GLY QA 2.987 . 4.102 3.558 2.789 4.017 . 0 0 "[ . 1 . 2]" 1
131 1 13 ARG HD3 1 35 LEU QD 2.994 . 6.000 3.880 3.139 4.801 . 0 0 "[ . 1 . 2]" 1
132 1 13 ARG QG 1 64 ARG HA 2.268 . 6.000 5.996 5.376 6.520 0.520 12 1 "[ . 1 + . 2]" 1
133 1 14 VAL H 1 14 VAL HB 2.527 . 3.325 2.898 2.753 3.456 0.131 15 0 "[ . 1 . 2]" 1
134 1 14 VAL H 1 14 VAL QG 2.347 . 4.353 1.880 1.689 2.043 0.216 15 0 "[ . 1 . 2]" 1
135 1 14 VAL H 1 33 GLY H 3.355 . 4.762 4.463 4.268 4.569 . 0 0 "[ . 1 . 2]" 1
136 1 14 VAL H 1 34 GLU H 2.975 . 4.082 3.746 3.352 3.976 . 0 0 "[ . 1 . 2]" 1
137 1 14 VAL H 1 35 LEU QB 2.972 . 4.076 4.496 4.416 4.595 0.519 15 1 "[ . 1 + 2]" 1
138 1 14 VAL H 1 36 VAL H 3.880 . 5.762 4.143 3.535 4.828 . 0 0 "[ . 1 . 2]" 1
139 1 14 VAL HA 1 14 VAL QG 1.978 . 6.000 2.272 1.975 2.362 . 0 0 "[ . 1 . 2]" 1
140 1 14 VAL HA 1 15 ILE H 2.345 . 3.032 2.123 2.071 2.180 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL HA 1 15 ILE MG 2.276 . 6.000 3.567 2.922 3.794 . 0 0 "[ . 1 . 2]" 1
142 1 14 VAL HA 1 16 GLN H 2.809 . 3.796 3.610 3.343 3.825 0.029 15 0 "[ . 1 . 2]" 1
143 1 14 VAL HA 1 63 VAL HA 2.269 . 2.913 2.368 2.050 2.770 . 0 0 "[ . 1 . 2]" 1
144 1 14 VAL HA 1 63 VAL QG 2.302 . 6.000 1.901 1.368 2.671 0.271 8 0 "[ . 1 . 2]" 1
145 1 14 VAL HA 1 64 ARG H 3.441 . 4.921 3.142 2.700 3.652 . 0 0 "[ . 1 . 2]" 1
146 1 14 VAL HB 1 15 ILE MG 2.619 . 6.000 5.375 4.324 5.616 . 0 0 "[ . 1 . 2]" 1
147 1 14 VAL HB 1 34 GLU H 2.690 . 6.000 4.641 1.993 5.313 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL HB 1 35 LEU H 3.598 . 5.216 3.820 3.636 3.981 . 0 0 "[ . 1 . 2]" 1
149 1 14 VAL MG1 1 14 VAL MG2 2.192 . 2.793 2.068 2.018 2.096 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL QG 1 15 ILE HA 2.525 . 6.000 3.623 3.460 4.301 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL QG 1 15 ILE HA 2.562 . 3.382 3.230 3.150 3.428 0.046 15 0 "[ . 1 . 2]" 1
152 1 14 VAL QG 1 15 ILE MG 2.190 . 6.000 4.025 3.743 4.146 . 0 0 "[ . 1 . 2]" 1
153 1 14 VAL QG 1 16 GLN H 2.444 . 3.191 1.827 1.622 3.116 0.075 19 0 "[ . 1 . 2]" 1
154 1 14 VAL QG 1 16 GLN QB 2.364 . 6.000 3.818 3.561 4.223 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL QG 1 16 GLN QB 2.512 . 6.000 3.769 3.535 4.059 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL QG 1 17 LYS H 2.191 . 6.000 3.286 3.040 4.490 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL QG 1 17 LYS HE3 2.398 . 6.000 3.126 2.833 3.388 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL QG 1 17 LYS HE3 2.377 . 6.000 2.897 2.652 3.054 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL QG 1 34 GLU HA 2.346 . 6.000 3.834 3.670 4.078 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL QG 1 34 GLU HB2 2.436 . 3.178 2.102 1.742 2.651 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL QG 1 34 GLU HB3 2.746 . 3.688 3.215 2.663 3.718 0.030 15 0 "[ . 1 . 2]" 1
162 1 14 VAL QG 1 63 VAL HA 3.038 . 6.000 3.322 2.376 3.762 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL QG 1 63 VAL QG 2.288 . 6.000 2.141 1.624 2.708 0.010 15 0 "[ . 1 . 2]" 1
164 1 15 ILE H 1 15 ILE MD 2.822 . 3.818 3.170 3.004 3.284 . 0 0 "[ . 1 . 2]" 1
165 1 15 ILE H 1 15 ILE HG13 3.125 . 4.346 1.908 1.850 2.054 0.054 1 0 "[ . 1 . 2]" 1
166 1 15 ILE H 1 15 ILE MG 2.620 . 3.478 2.725 2.567 2.896 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE H 1 16 GLN H 2.227 . 2.696 2.293 1.906 2.424 . 0 0 "[ . 1 . 2]" 1
168 1 15 ILE H 1 63 VAL H 3.677 . 5.367 4.705 4.501 5.060 . 0 0 "[ . 1 . 2]" 1
169 1 15 ILE H 1 63 VAL HA 2.586 . 3.422 2.304 1.845 2.956 . 0 0 "[ . 1 . 2]" 1
170 1 15 ILE HA 1 15 ILE HB 2.173 . 2.763 2.479 2.438 2.503 . 0 0 "[ . 1 . 2]" 1
171 1 15 ILE HA 1 15 ILE MD 2.874 . 3.907 3.643 3.602 3.670 . 0 0 "[ . 1 . 2]" 1
172 1 15 ILE HA 1 15 ILE MG 2.854 . 3.872 2.302 2.266 2.359 . 0 0 "[ . 1 . 2]" 1
173 1 15 ILE HA 1 16 GLN H 2.599 . 3.444 3.169 3.076 3.235 . 0 0 "[ . 1 . 2]" 1
174 1 15 ILE HB 1 15 ILE MD 2.344 . 3.031 2.330 2.281 2.400 . 0 0 "[ . 1 . 2]" 1
175 1 15 ILE HB 1 15 ILE HG13 2.540 . 3.346 3.016 3.002 3.042 . 0 0 "[ . 1 . 2]" 1
176 1 15 ILE HB 1 15 ILE MG 3.047 . 4.174 2.122 2.115 2.127 . 0 0 "[ . 1 . 2]" 1
177 1 15 ILE HB 1 16 GLN H 3.943 . 5.887 3.966 3.670 4.122 . 0 0 "[ . 1 . 2]" 1
178 1 15 ILE MD 1 15 ILE HG12 1.969 . 6.000 2.115 2.111 2.119 . 0 0 "[ . 1 . 2]" 1
179 1 15 ILE MD 1 15 ILE HG13 2.113 . 2.671 2.113 2.107 2.117 . 0 0 "[ . 1 . 2]" 1
180 1 15 ILE MD 1 32 VAL HA 2.241 . 6.000 4.466 4.373 4.528 . 0 0 "[ . 1 . 2]" 1
181 1 15 ILE MD 1 15 ILE MG 1.864 . 6.000 3.186 3.146 3.226 . 0 0 "[ . 1 . 2]" 1
182 1 15 ILE MD 1 16 GLN H 2.324 . 2.999 3.223 3.025 3.278 0.279 5 0 "[ . 1 . 2]" 1
183 1 15 ILE MD 1 16 GLN HA 2.900 . 3.951 3.688 3.582 3.784 . 0 0 "[ . 1 . 2]" 1
184 1 15 ILE MD 1 17 LYS H 2.700 . 6.000 5.343 5.279 5.404 . 0 0 "[ . 1 . 2]" 1
185 1 15 ILE MD 1 17 LYS HA 2.745 . 6.000 6.206 6.116 6.268 0.268 15 0 "[ . 1 . 2]" 1
186 1 15 ILE MD 1 17 LYS HB2 2.679 . 6.000 6.135 6.021 6.263 0.263 7 0 "[ . 1 . 2]" 1
187 1 15 ILE MD 1 33 GLY H 2.844 . 6.000 5.455 5.297 5.538 . 0 0 "[ . 1 . 2]" 1
188 1 15 ILE MD 1 62 HIS HA 2.906 . 3.961 2.430 2.160 2.688 . 0 0 "[ . 1 . 2]" 1
189 1 15 ILE MD 1 62 HIS HB2 3.039 . 4.193 2.909 2.619 3.325 . 0 0 "[ . 1 . 2]" 1
190 1 15 ILE HG12 1 15 ILE MG 1.749 . 6.000 2.178 2.118 2.210 . 0 0 "[ . 1 . 2]" 1
191 1 15 ILE HG13 1 15 ILE MG 1.933 . 6.000 2.609 2.532 2.668 . 0 0 "[ . 1 . 2]" 1
192 1 15 ILE HG13 1 16 GLN H 2.907 . 3.963 3.486 3.299 3.719 . 0 0 "[ . 1 . 2]" 1
193 1 15 ILE HG13 1 32 VAL MG1 2.510 . 6.000 3.804 3.465 4.135 . 0 0 "[ . 1 . 2]" 1
194 1 15 ILE HG13 1 62 HIS HA 2.678 . 3.574 3.670 3.612 3.744 0.170 8 0 "[ . 1 . 2]" 1
195 1 15 ILE HG13 1 63 VAL HA . . 2.794 2.431 1.971 2.951 0.157 15 0 "[ . 1 . 2]" 1
196 1 15 ILE MG 1 32 VAL MG1 2.381 . 6.000 4.590 3.404 5.952 . 0 0 "[ . 1 . 2]" 1
197 1 15 ILE MG 1 33 GLY QA 2.483 . 6.000 3.621 3.164 3.868 . 0 0 "[ . 1 . 2]" 1
198 1 15 ILE MG 1 63 VAL HA 2.818 . 3.811 3.429 2.986 3.693 . 0 0 "[ . 1 . 2]" 1
199 1 16 GLN H 1 16 GLN HA 2.876 . 3.758 2.806 2.783 2.856 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLN H 1 16 GLN QB 3.000 . 4.046 2.941 2.826 2.988 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLN H 1 17 LYS H 3.564 . 5.151 3.377 3.267 3.554 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLN H 1 31 GLU H 3.982 . 5.964 6.143 6.064 6.214 0.250 7 0 "[ . 1 . 2]" 1
203 1 16 GLN H 1 62 HIS HA 2.813 . 6.000 5.364 5.131 5.532 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLN H 1 62 HIS HB2 3.669 . 5.351 3.779 3.504 4.048 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLN H 1 62 HIS HD2 3.449 . 4.936 4.951 4.573 5.046 0.110 18 0 "[ . 1 . 2]" 1
206 1 16 GLN H 1 63 VAL HA 3.463 . 4.962 4.262 3.867 4.834 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLN HA 1 16 GLN HG2 2.451 . 3.202 2.974 2.334 3.819 0.617 12 3 "[ *. 1 + . - 2]" 1
208 1 16 GLN HA 1 17 LYS H 2.237 . 2.863 2.235 2.144 2.282 . 0 0 "[ . 1 . 2]" 1
209 1 16 GLN QB 1 16 GLN HG2 2.459 . 3.215 2.321 2.160 2.414 . 0 0 "[ . 1 . 2]" 1
210 1 16 GLN QB 1 62 HIS HA 2.403 . 3.125 3.056 2.749 3.214 0.089 11 0 "[ . 1 . 2]" 1
211 1 16 GLN QB 1 62 HIS HA 2.412 . 3.591 3.456 3.225 3.572 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLN QB 1 62 HIS HB2 3.214 . 4.505 1.737 1.264 2.284 0.659 16 1 "[ . 1 .+ 2]" 1
213 1 16 GLN HE21 1 16 GLN HG2 2.714 . 3.635 2.848 2.217 3.490 . 0 0 "[ . 1 . 2]" 1
214 1 16 GLN HE21 1 16 GLN HG3 3.139 . 4.371 2.727 2.216 3.519 . 0 0 "[ . 1 . 2]" 1
215 1 16 GLN HE22 1 16 GLN HG3 2.863 . 3.887 3.705 3.475 4.076 0.189 12 0 "[ . 1 . 2]" 1
216 1 16 GLN HG2 1 17 LYS H 2.578 . 6.000 4.241 3.703 5.360 . 0 0 "[ . 1 . 2]" 1
217 1 17 LYS H 1 17 LYS HB2 2.481 . 3.250 2.876 2.781 3.044 . 0 0 "[ . 1 . 2]" 1
218 1 17 LYS H 1 17 LYS HB3 2.496 . 6.000 3.397 3.233 3.530 . 0 0 "[ . 1 . 2]" 1
219 1 17 LYS H 1 18 ARG H 3.638 . 5.293 4.344 4.318 4.366 . 0 0 "[ . 1 . 2]" 1
220 1 17 LYS H 1 31 GLU HA 3.589 . 5.199 2.722 2.234 3.090 . 0 0 "[ . 1 . 2]" 1
221 1 17 LYS H 1 32 VAL H 3.991 . 5.982 3.102 2.790 3.329 . 0 0 "[ . 1 . 2]" 1
222 1 17 LYS H 1 32 VAL HA 3.278 . 4.621 3.721 3.473 4.023 . 0 0 "[ . 1 . 2]" 1
223 1 17 LYS HA 1 17 LYS HB2 2.331 . 3.010 2.792 2.698 2.878 . 0 0 "[ . 1 . 2]" 1
224 1 17 LYS HA 1 17 LYS HB3 2.385 . 3.096 2.888 2.819 2.957 . 0 0 "[ . 1 . 2]" 1
225 1 17 LYS HA 1 17 LYS QG 2.730 . 3.661 2.138 2.015 2.342 . 0 0 "[ . 1 . 2]" 1
226 1 17 LYS HA 1 18 ARG H 2.234 . 2.858 2.382 2.302 2.424 . 0 0 "[ . 1 . 2]" 1
227 1 17 LYS HA 1 18 ARG HA 2.976 . 6.000 4.339 4.292 4.391 . 0 0 "[ . 1 . 2]" 1
228 1 17 LYS HA 1 30 LEU H 3.316 . 6.000 5.797 5.162 5.998 . 0 0 "[ . 1 . 2]" 1
229 1 17 LYS HA 1 31 GLU HA 2.599 . 6.000 4.448 4.166 4.696 . 0 0 "[ . 1 . 2]" 1
230 1 17 LYS HB2 1 17 LYS HE3 3.026 . 4.171 4.338 3.788 4.510 0.339 16 0 "[ . 1 . 2]" 1
231 1 17 LYS HB2 1 17 LYS QG 2.547 . 3.358 2.495 2.447 2.530 . 0 0 "[ . 1 . 2]" 1
232 1 17 LYS HB3 1 17 LYS HD2 2.296 . 6.000 3.909 3.224 4.207 . 0 0 "[ . 1 . 2]" 1
233 1 17 LYS HD2 1 17 LYS HE3 2.410 . 3.136 2.410 2.296 2.477 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS HD2 1 17 LYS QG 2.380 . 3.088 2.205 2.146 2.396 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS HD3 1 17 LYS HE3 2.281 . 2.931 2.392 2.291 2.517 . 0 0 "[ . 1 . 2]" 1
236 1 17 LYS HD3 1 17 LYS HE3 2.436 . 3.178 2.094 2.000 2.183 . 0 0 "[ . 1 . 2]" 1
237 1 17 LYS HE2 1 49 GLY QA 2.695 . 6.000 5.924 5.778 6.592 0.592 4 1 "[ +. 1 . 2]" 1
238 1 17 LYS HE2 1 62 HIS HD2 3.724 . 5.457 4.925 4.083 5.499 0.042 12 0 "[ . 1 . 2]" 1
239 1 17 LYS HE3 1 17 LYS QG 2.617 . 3.473 2.620 2.373 3.326 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS HE3 1 28 LEU QB 3.088 . 4.280 3.925 2.995 5.140 0.860 10 2 "[ - + . 2]" 1
241 1 17 LYS HE3 1 30 LEU QD 3.045 . 4.204 2.910 2.032 3.750 . 0 0 "[ . 1 . 2]" 1
242 1 17 LYS HE3 1 59 PRO HD2 3.013 . 4.148 4.012 3.551 4.244 0.096 12 0 "[ . 1 . 2]" 1
243 1 17 LYS QG 1 18 ARG H 3.074 . 4.255 2.393 1.870 2.736 0.023 4 0 "[ . 1 . 2]" 1
244 1 17 LYS QG 1 20 PRO QG 2.676 . 3.571 3.841 3.556 4.121 0.550 5 2 "[ + - 1 . 2]" 1
245 1 17 LYS QG 1 30 LEU QD 2.502 . 3.284 1.977 1.280 3.469 0.440 10 0 "[ . 1 . 2]" 1
246 1 17 LYS QG 1 59 PRO HD2 3.069 . 6.000 4.819 4.386 5.341 . 0 0 "[ . 1 . 2]" 1
247 1 18 ARG H 1 18 ARG HB2 2.855 . 3.874 3.599 3.086 3.744 . 0 0 "[ . 1 . 2]" 1
248 1 18 ARG H 1 18 ARG HB3 2.726 . 3.655 2.717 2.097 3.105 . 0 0 "[ . 1 . 2]" 1
249 1 18 ARG H 1 18 ARG QG 2.504 . 3.288 2.405 1.879 3.678 0.390 9 0 "[ . 1 . 2]" 1
250 1 18 ARG H 1 20 PRO HD2 2.554 . 6.000 4.976 4.757 5.120 . 0 0 "[ . 1 . 2]" 1
251 1 18 ARG H 1 20 PRO HD3 2.659 . 3.543 3.522 3.346 3.612 0.069 9 0 "[ . 1 . 2]" 1
252 1 18 ARG H 1 30 LEU H 2.728 . 6.000 4.337 3.721 4.614 . 0 0 "[ . 1 . 2]" 1
253 1 18 ARG H 1 31 GLU HA 3.171 . 4.428 4.611 4.458 4.729 0.301 16 0 "[ . 1 . 2]" 1
254 1 18 ARG H 1 58 PHE HE2 3.797 . 5.599 4.088 3.924 4.224 . 0 0 "[ . 1 . 2]" 1
255 1 18 ARG HA 1 19 VAL H 2.973 . 4.078 2.646 2.520 2.756 . 0 0 "[ . 1 . 2]" 1
256 1 18 ARG HA 1 20 PRO HD3 2.401 . 6.000 4.146 4.031 4.228 . 0 0 "[ . 1 . 2]" 1
257 1 18 ARG HB3 1 62 HIS HE1 3.431 . 6.000 5.871 5.279 6.084 0.084 4 0 "[ . 1 . 2]" 1
258 1 18 ARG QG 1 29 ALA MB 2.657 . 6.000 5.161 4.917 5.287 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL H 1 19 VAL MG1 3.053 . 4.218 3.310 2.004 3.876 . 0 0 "[ . 1 . 2]" 1
260 1 19 VAL H 1 20 PRO HB2 3.154 . 6.000 6.414 6.134 6.634 0.634 20 8 "[ * - 1 *** **+]" 1
261 1 19 VAL HA 1 20 PRO HD2 2.223 . 2.841 2.770 2.690 2.867 0.026 17 0 "[ . 1 . 2]" 1
262 1 19 VAL HA 1 20 PRO HD3 2.239 . 6.000 2.217 2.109 2.346 . 0 0 "[ . 1 . 2]" 1
263 1 20 PRO HA 1 20 PRO HB2 2.566 . 3.389 2.802 2.675 2.872 . 0 0 "[ . 1 . 2]" 1
264 1 20 PRO HA 1 20 PRO HB3 2.890 . 3.934 2.278 2.265 2.308 . 0 0 "[ . 1 . 2]" 1
265 1 20 PRO HA 1 20 PRO HD2 2.703 . 6.000 3.824 3.790 3.880 . 0 0 "[ . 1 . 2]" 1
266 1 20 PRO HA 1 21 ASN H 2.264 . 2.905 2.396 2.161 2.534 . 0 0 "[ . 1 . 2]" 1
267 1 20 PRO HA 1 27 ALA H 2.963 . 6.000 5.320 5.093 5.465 . 0 0 "[ . 1 . 2]" 1
268 1 20 PRO HA 1 58 PHE HE2 3.523 . 6.000 6.075 6.020 6.186 0.186 3 0 "[ . 1 . 2]" 1
269 1 20 PRO HB2 1 21 ASN H 3.381 . 4.810 2.916 2.464 3.707 . 0 0 "[ . 1 . 2]" 1
270 1 20 PRO HB2 1 24 ASP H 4.352 . 6.720 4.740 4.488 5.086 . 0 0 "[ . 1 . 2]" 1
271 1 20 PRO HB2 1 27 ALA MB 2.513 . 3.302 1.923 1.631 2.092 0.093 3 0 "[ . 1 . 2]" 1
272 1 20 PRO HB2 1 58 PHE HE2 4.012 . 6.024 3.725 3.555 3.943 . 0 0 "[ . 1 . 2]" 1
273 1 20 PRO HB2 1 58 PHE HZ 4.001 . 6.002 3.754 3.256 4.457 . 0 0 "[ . 1 . 2]" 1
274 1 20 PRO HB3 1 29 ALA HA 2.984 . 4.097 3.267 2.780 3.392 . 0 0 "[ . 1 . 2]" 1
275 1 20 PRO HB3 1 21 ASN H 3.097 . 4.296 3.408 3.027 4.139 . 0 0 "[ . 1 . 2]" 1
276 1 20 PRO HB3 1 27 ALA MB 2.745 . 3.687 2.824 2.552 3.125 . 0 0 "[ . 1 . 2]" 1
277 1 20 PRO HB3 1 30 LEU QD 2.958 . 6.000 4.221 4.056 4.521 . 0 0 "[ . 1 . 2]" 1
278 1 20 PRO HD2 1 20 PRO QG 2.646 . 3.521 2.226 2.171 2.260 . 0 0 "[ . 1 . 2]" 1
279 1 20 PRO HD2 1 29 ALA MB 2.529 . 3.329 2.647 2.418 2.803 . 0 0 "[ . 1 . 2]" 1
280 1 20 PRO HD3 1 29 ALA HA 2.501 . 3.064 2.464 2.269 2.634 . 0 0 "[ . 1 . 2]" 1
281 1 20 PRO HD3 1 29 ALA MB 2.592 . 6.000 3.740 3.591 3.879 . 0 0 "[ . 1 . 2]" 1
282 1 20 PRO QG 1 29 ALA HA 2.783 . 6.000 3.303 2.793 3.431 . 0 0 "[ . 1 . 2]" 1
283 1 20 PRO QG 1 30 LEU H 2.741 . 3.680 4.009 3.735 4.092 0.412 12 0 "[ . 1 . 2]" 1
284 1 21 ASN H 1 21 ASN HA 2.786 . 3.756 2.934 2.880 2.956 . 0 0 "[ . 1 . 2]" 1
285 1 21 ASN H 1 21 ASN HB2 2.542 . 3.350 2.608 2.272 2.928 . 0 0 "[ . 1 . 2]" 1
286 1 21 ASN H 1 21 ASN HB3 2.868 . 3.896 3.746 3.552 3.902 0.006 18 0 "[ . 1 . 2]" 1
287 1 21 ASN H 1 21 ASN HD21 3.913 . 5.827 3.628 2.276 4.883 . 0 0 "[ . 1 . 2]" 1
288 1 21 ASN H 1 22 ALA H 3.704 . 5.419 4.464 4.399 4.580 . 0 0 "[ . 1 . 2]" 1
289 1 21 ASN HA 1 21 ASN HB2 2.765 . 3.720 3.027 3.003 3.040 . 0 0 "[ . 1 . 2]" 1
290 1 21 ASN HA 1 21 ASN QB 2.357 . 3.051 2.400 2.300 2.470 . 0 0 "[ . 1 . 2]" 1
291 1 21 ASN HA 1 21 ASN HB3 2.809 . 3.795 2.518 2.384 2.626 . 0 0 "[ . 1 . 2]" 1
292 1 21 ASN HA 1 22 ALA H 2.749 . 3.694 2.526 2.462 2.596 . 0 0 "[ . 1 . 2]" 1
293 1 21 ASN HA 1 22 ALA MB 2.884 . 6.000 4.227 4.102 4.306 . 0 0 "[ . 1 . 2]" 1
294 1 21 ASN HA 1 27 ALA H 2.974 . 4.080 3.850 3.685 4.071 . 0 0 "[ . 1 . 2]" 1
295 1 21 ASN HA 1 28 LEU QD 2.590 . 6.000 5.536 5.009 5.805 . 0 0 "[ . 1 . 2]" 1
296 1 21 ASN HA 1 29 ALA H 2.826 . 3.824 4.352 3.784 4.578 0.754 19 16 "[ *-******1 ******+*]" 1
297 1 21 ASN QB 1 21 ASN HD22 3.217 . 4.511 3.319 3.212 3.493 . 0 0 "[ . 1 . 2]" 1
298 1 21 ASN HB2 1 21 ASN HD21 2.867 . 3.894 2.708 2.161 3.529 . 0 0 "[ . 1 . 2]" 1
299 1 21 ASN HB2 1 22 ALA H 3.641 . 5.298 3.434 3.155 3.587 . 0 0 "[ . 1 . 2]" 1
300 1 21 ASN HB2 1 23 TYR H 3.368 . 4.786 2.517 1.954 2.848 . 0 0 "[ . 1 . 2]" 1
301 1 21 ASN HB2 1 24 ASP H 3.049 . 4.211 3.719 3.198 4.077 . 0 0 "[ . 1 . 2]" 1
302 1 21 ASN HB2 1 24 ASP HB2 1.679 . 6.000 4.258 3.626 4.933 . 0 0 "[ . 1 . 2]" 1
303 1 21 ASN HB3 1 23 TYR HA 2.837 . 6.000 5.334 5.021 5.674 . 0 0 "[ . 1 . 2]" 1
304 1 21 ASN HB3 1 24 ASP H 3.574 . 5.171 4.436 4.234 4.624 . 0 0 "[ . 1 . 2]" 1
305 1 22 ALA H 1 22 ALA MB 2.886 . 3.927 2.223 2.181 2.245 . 0 0 "[ . 1 . 2]" 1
306 1 22 ALA H 1 23 TYR H 3.086 . 4.277 2.679 2.497 2.780 . 0 0 "[ . 1 . 2]" 1
307 1 22 ALA H 1 26 THR HB 3.366 . 6.000 5.863 5.489 6.076 0.076 9 0 "[ . 1 . 2]" 1
308 1 22 ALA HA 1 22 ALA MB 2.005 . 6.000 2.125 2.116 2.130 . 0 0 "[ . 1 . 2]" 1
309 1 22 ALA HA 1 23 TYR H 2.928 . 4.000 3.261 3.099 3.386 . 0 0 "[ . 1 . 2]" 1
310 1 22 ALA HA 1 24 ASP H 3.774 . 5.554 3.400 3.213 3.615 . 0 0 "[ . 1 . 2]" 1
311 1 22 ALA MB 1 23 TYR H 2.903 . 3.956 3.214 3.025 3.413 . 0 0 "[ . 1 . 2]" 1
312 1 22 ALA MB 1 23 TYR HD1 3.470 . 4.975 3.281 2.835 4.569 . 0 0 "[ . 1 . 2]" 1
313 1 22 ALA MB 1 23 TYR HE1 3.643 . 5.302 3.621 3.276 4.720 . 0 0 "[ . 1 . 2]" 1
314 1 22 ALA MB 1 24 ASP H 4.373 . 5.018 4.338 4.154 4.409 . 0 0 "[ . 1 . 2]" 1
315 1 23 TYR H 1 23 TYR HA 2.545 . 3.354 2.916 2.881 2.938 . 0 0 "[ . 1 . 2]" 1
316 1 23 TYR H 1 23 TYR HB2 2.645 . 3.507 2.483 2.400 2.586 . 0 0 "[ . 1 . 2]" 1
317 1 23 TYR H 1 23 TYR HB3 2.786 . 3.756 3.657 3.626 3.686 . 0 0 "[ . 1 . 2]" 1
318 1 23 TYR H 1 23 TYR HD1 3.650 . 5.315 2.430 1.945 4.417 0.040 18 0 "[ . 1 . 2]" 1
319 1 23 TYR H 1 24 ASP H 2.237 . 2.863 2.255 2.038 2.445 . 0 0 "[ . 1 . 2]" 1
320 1 23 TYR H 1 26 THR HB 3.580 . 6.000 6.124 6.046 6.215 0.215 7 0 "[ . 1 . 2]" 1
321 1 23 TYR HA 1 23 TYR HB2 2.469 . 3.231 3.021 3.000 3.030 . 0 0 "[ . 1 . 2]" 1
322 1 23 TYR HA 1 23 TYR HB3 2.204 . 2.811 2.488 2.394 2.561 . 0 0 "[ . 1 . 2]" 1
323 1 23 TYR HA 1 23 TYR HD1 2.696 . 3.604 3.560 2.409 3.761 0.157 16 0 "[ . 1 . 2]" 1
324 1 23 TYR HA 1 24 ASP H 3.005 . 4.134 3.229 3.098 3.352 . 0 0 "[ . 1 . 2]" 1
325 1 23 TYR HA 1 26 THR H 2.993 . 4.113 3.633 3.247 4.032 . 0 0 "[ . 1 . 2]" 1
326 1 23 TYR HB2 1 23 TYR HD1 2.536 . 3.340 2.699 2.522 3.735 0.395 11 0 "[ . 1 . 2]" 1
327 1 23 TYR HB2 1 24 ASP H 2.397 . 3.115 2.387 2.220 2.750 . 0 0 "[ . 1 . 2]" 1
328 1 23 TYR HB3 1 23 TYR HD1 2.690 . 6.000 3.615 2.659 3.745 . 0 0 "[ . 1 . 2]" 1
329 1 23 TYR HB3 1 24 ASP H 3.614 . 5.246 4.285 4.188 4.366 . 0 0 "[ . 1 . 2]" 1
330 1 23 TYR HB3 1 24 ASP HA 2.647 . 6.000 4.718 4.552 4.971 . 0 0 "[ . 1 . 2]" 1
331 1 23 TYR HD1 1 26 THR HA 2.666 . 6.000 5.791 5.566 6.044 0.044 5 0 "[ . 1 . 2]" 1
332 1 24 ASP H 1 24 ASP HA 2.687 . 3.589 2.944 2.927 2.962 . 0 0 "[ . 1 . 2]" 1
333 1 24 ASP H 1 24 ASP HB3 2.589 . 3.427 3.467 2.680 3.704 0.277 4 0 "[ . 1 . 2]" 1
334 1 24 ASP H 1 25 LYS H 3.424 . 4.889 3.366 3.195 3.612 . 0 0 "[ . 1 . 2]" 1
335 1 24 ASP H 1 25 LYS QE 4.383 . 6.785 5.976 5.170 6.506 . 0 0 "[ . 1 . 2]" 1
336 1 24 ASP H 1 26 THR HB 3.718 . 5.446 5.614 5.555 5.667 0.221 17 0 "[ . 1 . 2]" 1
337 1 24 ASP H 1 27 ALA H 3.732 . 5.473 2.963 2.720 3.162 . 0 0 "[ . 1 . 2]" 1
338 1 24 ASP HA 1 24 ASP HB2 2.600 . 3.445 2.949 2.542 3.036 . 0 0 "[ . 1 . 2]" 1
339 1 24 ASP HA 1 24 ASP HB3 2.534 . 3.336 2.657 2.497 3.031 . 0 0 "[ . 1 . 2]" 1
340 1 24 ASP HA 1 25 LYS H 2.605 . 3.396 2.541 2.392 2.661 . 0 0 "[ . 1 . 2]" 1
341 1 24 ASP HB2 1 27 ALA H 3.682 . 5.377 3.063 2.558 4.312 . 0 0 "[ . 1 . 2]" 1
342 1 24 ASP HB2 1 27 ALA MB 2.690 . 3.594 2.618 2.113 3.656 0.062 8 0 "[ . 1 . 2]" 1
343 1 24 ASP HB2 1 28 LEU H 3.562 . 5.148 5.562 4.884 6.040 0.892 11 4 "[ - .* * 1+ . 2]" 1
344 1 24 ASP HB2 1 58 PHE HZ 2.706 . 6.000 5.979 5.434 6.155 0.155 11 0 "[ . 1 . 2]" 1
345 1 24 ASP HB3 1 27 ALA MB 3.060 . 4.230 2.725 2.000 3.409 . 0 0 "[ . 1 . 2]" 1
346 1 24 ASP HB3 1 58 PHE HZ 2.680 . 6.000 5.630 4.865 6.007 0.007 19 0 "[ . 1 . 2]" 1
347 1 25 LYS H 1 25 LYS HB2 3.165 . 4.418 3.575 3.458 3.679 . 0 0 "[ . 1 . 2]" 1
348 1 25 LYS H 1 25 LYS HB3 2.848 . 3.862 4.069 4.015 4.112 0.250 17 0 "[ . 1 . 2]" 1
349 1 25 LYS H 1 25 LYS HG2 2.982 . 4.093 3.880 2.801 4.613 0.520 17 2 "[ - . 1 . + 2]" 1
350 1 25 LYS H 1 26 THR H 2.760 . 3.712 2.520 2.450 2.649 . 0 0 "[ . 1 . 2]" 1
351 1 25 LYS H 1 27 ALA H 3.552 . 5.129 4.952 4.548 5.145 0.016 9 0 "[ . 1 . 2]" 1
352 1 25 LYS HA 1 25 LYS HB2 2.317 . 2.988 3.029 3.017 3.038 0.050 10 0 "[ . 1 . 2]" 1
353 1 25 LYS HA 1 25 LYS HB3 2.554 . 3.369 2.484 2.403 2.581 . 0 0 "[ . 1 . 2]" 1
354 1 25 LYS HA 1 25 LYS HD2 2.786 . 3.756 3.695 2.935 4.560 0.804 6 3 "[ - .+ * 1 . 2]" 1
355 1 25 LYS HA 1 25 LYS HG2 2.518 . 3.311 3.448 2.927 3.686 0.375 11 0 "[ . 1 . 2]" 1
356 1 25 LYS HB2 1 25 LYS HG2 2.633 . 3.500 2.521 2.397 2.605 . 0 0 "[ . 1 . 2]" 1
357 1 25 LYS HB3 1 25 LYS HG2 2.471 . 3.234 2.597 2.283 3.015 . 0 0 "[ . 1 . 2]" 1
358 1 25 LYS HB3 1 26 THR H 3.512 . 5.054 4.424 4.348 4.476 . 0 0 "[ . 1 . 2]" 1
359 1 25 LYS HG2 1 26 THR H 3.901 . 5.804 5.434 4.597 5.921 0.117 8 0 "[ . 1 . 2]" 1
360 1 26 THR H 1 26 THR HA 2.886 . 3.927 2.214 2.193 2.235 . 0 0 "[ . 1 . 2]" 1
361 1 26 THR H 1 26 THR HB 2.977 . 4.084 3.996 3.956 4.024 . 0 0 "[ . 1 . 2]" 1
362 1 26 THR H 1 26 THR MG 2.773 . 3.735 2.684 2.600 2.770 . 0 0 "[ . 1 . 2]" 1
363 1 26 THR H 1 27 ALA H 2.282 . 2.933 3.081 2.937 3.170 0.237 11 0 "[ . 1 . 2]" 1
364 1 26 THR H 1 27 ALA MB 2.708 . 6.000 4.297 4.164 4.451 . 0 0 "[ . 1 . 2]" 1
365 1 26 THR H 1 56 GLY QA 3.305 . 6.000 5.439 5.140 5.835 . 0 0 "[ . 1 . 2]" 1
366 1 26 THR HA 1 26 THR MG 2.112 . 2.669 2.404 2.280 2.458 . 0 0 "[ . 1 . 2]" 1
367 1 26 THR HA 1 27 ALA H 2.595 . 3.437 2.294 2.159 2.610 . 0 0 "[ . 1 . 2]" 1
368 1 26 THR HB 1 26 THR MG 2.059 . 2.589 2.122 2.118 2.127 . 0 0 "[ . 1 . 2]" 1
369 1 26 THR HB 1 57 HIS HD2 3.150 . 4.390 4.243 4.007 4.455 0.065 18 0 "[ . 1 . 2]" 1
370 1 26 THR MG 1 57 HIS HD2 3.578 . 6.000 4.563 4.236 4.868 . 0 0 "[ . 1 . 2]" 1
371 1 27 ALA H 1 27 ALA HA 2.724 . 3.652 2.941 2.906 2.949 . 0 0 "[ . 1 . 2]" 1
372 1 27 ALA H 1 27 ALA MB 2.142 . 2.715 2.400 2.278 2.493 . 0 0 "[ . 1 . 2]" 1
373 1 27 ALA H 1 28 LEU H 3.294 . 4.588 4.487 4.443 4.557 . 0 0 "[ . 1 . 2]" 1
374 1 27 ALA H 1 56 GLY QA 3.272 . 4.610 3.788 3.498 4.091 . 0 0 "[ . 1 . 2]" 1
375 1 27 ALA H 1 57 HIS H 3.370 . 4.789 4.618 4.279 4.803 0.014 13 0 "[ . 1 . 2]" 1
376 1 27 ALA HA 1 27 ALA MB 2.262 . 2.902 2.117 2.100 2.125 . 0 0 "[ . 1 . 2]" 1
377 1 27 ALA HA 1 28 LEU H 2.224 . 2.842 2.335 2.238 2.440 . 0 0 "[ . 1 . 2]" 1
378 1 27 ALA HA 1 57 HIS H 2.675 . 3.570 2.025 1.738 2.191 0.042 17 0 "[ . 1 . 2]" 1
379 1 27 ALA HA 1 57 HIS HE1 3.947 . 5.894 5.866 5.565 6.048 0.154 18 0 "[ . 1 . 2]" 1
380 1 27 ALA MB 1 28 LEU H 2.744 . 3.685 2.452 2.226 2.611 . 0 0 "[ . 1 . 2]" 1
381 1 27 ALA MB 1 28 LEU HA 3.018 . 6.000 4.337 4.218 4.423 . 0 0 "[ . 1 . 2]" 1
382 1 27 ALA MB 1 57 HIS H 3.482 . 4.997 3.497 2.860 3.702 . 0 0 "[ . 1 . 2]" 1
383 1 27 ALA MB 1 58 PHE HE2 3.709 . 5.429 2.174 1.741 2.517 0.248 14 0 "[ . 1 . 2]" 1
384 1 27 ALA MB 1 58 PHE HZ 3.135 . 4.364 2.734 2.113 3.096 . 0 0 "[ . 1 . 2]" 1
385 1 28 LEU H 1 28 LEU HA 2.838 . 3.845 2.879 2.844 2.918 . 0 0 "[ . 1 . 2]" 1
386 1 28 LEU H 1 28 LEU QB 2.699 . 3.501 2.194 2.098 2.342 . 0 0 "[ . 1 . 2]" 1
387 1 28 LEU H 1 28 LEU QB 2.650 . 3.528 1.595 1.086 1.746 0.686 16 1 "[ . 1 .+ 2]" 1
388 1 28 LEU H 1 28 LEU QD 3.444 . 4.927 2.802 2.000 3.556 . 0 0 "[ . 1 . 2]" 1
389 1 28 LEU H 1 28 LEU HG 2.599 . 3.443 2.222 1.760 2.670 . 0 0 "[ . 1 . 2]" 1
390 1 28 LEU H 1 29 ALA H 3.049 . 6.000 4.493 4.357 4.598 . 0 0 "[ . 1 . 2]" 1
391 1 28 LEU H 1 49 GLY QA 2.887 . 6.000 5.794 5.598 5.859 . 0 0 "[ . 1 . 2]" 1
392 1 28 LEU H 1 56 GLY QA 3.494 . 5.020 2.910 2.141 3.794 . 0 0 "[ . 1 . 2]" 1
393 1 28 LEU H 1 57 HIS H 2.619 . 3.476 3.238 2.198 3.560 0.084 5 0 "[ . 1 . 2]" 1
394 1 28 LEU HA 1 28 LEU QD 2.413 . 2.625 1.849 1.643 1.996 0.042 9 0 "[ . 1 . 2]" 1
395 1 28 LEU HA 1 28 LEU HG 2.922 . 3.989 3.712 3.639 3.773 . 0 0 "[ . 1 . 2]" 1
396 1 28 LEU HA 1 29 ALA H 2.189 . 2.788 2.180 2.145 2.241 . 0 0 "[ . 1 . 2]" 1
397 1 28 LEU HA 1 29 ALA MB 2.668 . 6.000 4.040 4.009 4.108 . 0 0 "[ . 1 . 2]" 1
398 1 28 LEU HA 1 30 LEU QD 2.852 . 6.000 3.550 2.774 3.743 . 0 0 "[ . 1 . 2]" 1
399 1 28 LEU QB 1 28 LEU QD 2.381 . 3.029 2.030 1.889 2.062 . 0 0 "[ . 1 . 2]" 1
400 1 28 LEU QB 1 28 LEU QD 2.572 . 3.399 2.016 1.883 2.047 . 0 0 "[ . 1 . 2]" 1
401 1 28 LEU QB 1 29 ALA H 3.683 . 5.379 3.475 3.182 3.717 . 0 0 "[ . 1 . 2]" 1
402 1 28 LEU QB 1 30 LEU HB3 2.730 . 6.000 4.030 3.334 4.475 . 0 0 "[ . 1 . 2]" 1
403 1 28 LEU QB 1 30 LEU QD 2.183 . 2.662 1.647 1.089 1.842 0.498 16 0 "[ . 1 . 2]" 1
404 1 28 LEU QB 1 54 LYS HB3 2.768 . 6.000 5.050 4.195 5.689 . 0 0 "[ . 1 . 2]" 1
405 1 28 LEU QB 1 56 GLY QA 2.959 . 6.000 3.587 2.040 4.630 . 0 0 "[ . 1 . 2]" 1
406 1 28 LEU QB 1 57 HIS H 3.791 . 6.000 4.383 3.191 5.014 . 0 0 "[ . 1 . 2]" 1
407 1 28 LEU QB 1 58 PHE HD2 3.476 . 4.986 2.084 1.785 2.626 0.181 16 0 "[ . 1 . 2]" 1
408 1 28 LEU QB 1 58 PHE HE2 2.837 . 3.843 2.714 2.110 2.961 . 0 0 "[ . 1 . 2]" 1
409 1 28 LEU QB 1 58 PHE HZ 3.709 . 6.000 4.743 4.117 5.047 . 0 0 "[ . 1 . 2]" 1
410 1 28 LEU MD1 1 28 LEU MD2 1.916 . 6.000 2.038 1.996 2.079 . 0 0 "[ . 1 . 2]" 1
411 1 28 LEU QD 1 29 ALA H 2.865 . 3.891 2.581 1.747 3.302 0.092 10 0 "[ . 1 . 2]" 1
412 1 28 LEU QD 1 29 ALA MB 2.074 . 6.000 3.841 3.117 4.508 . 0 0 "[ . 1 . 2]" 1
413 1 28 LEU QD 1 30 LEU HB2 2.702 . 6.000 4.433 3.255 5.395 . 0 0 "[ . 1 . 2]" 1
414 1 28 LEU QD 1 30 LEU HB3 2.643 . 6.000 3.565 1.678 5.380 0.092 4 0 "[ . 1 . 2]" 1
415 1 28 LEU QD 1 30 LEU QD 2.365 . 6.000 2.208 1.555 2.821 0.111 8 0 "[ . 1 . 2]" 1
416 1 28 LEU QD 1 51 CYS H 3.249 . 4.568 2.107 1.868 2.373 0.062 5 0 "[ . 1 . 2]" 1
417 1 28 LEU QD 1 54 LYS HG2 2.375 . 6.000 3.879 2.887 4.727 . 0 0 "[ . 1 . 2]" 1
418 1 28 LEU QD 1 58 PHE HD2 2.773 . 3.734 2.459 1.983 2.931 . 0 0 "[ . 1 . 2]" 1
419 1 28 LEU QD 1 58 PHE HE2 3.062 . 4.234 2.965 2.509 3.394 . 0 0 "[ . 1 . 2]" 1
420 1 28 LEU QD 1 49 GLY H 3.592 . 5.205 2.895 2.264 3.878 . 0 0 "[ . 1 . 2]" 1
421 1 28 LEU QD 1 50 GLU HA 2.938 . 4.017 2.290 1.996 2.628 . 0 0 "[ . 1 . 2]" 1
422 1 28 LEU QD 1 51 CYS H 3.110 . 4.319 2.112 1.870 2.392 0.031 5 0 "[ . 1 . 2]" 1
423 1 28 LEU QD 1 51 CYS HB2 2.685 . 6.000 2.748 1.996 3.705 . 0 0 "[ . 1 . 2]" 1
424 1 28 LEU QD 1 54 LYS HB2 2.505 . 3.289 2.433 2.088 2.885 . 0 0 "[ . 1 . 2]" 1
425 1 28 LEU QD 1 54 LYS HB3 2.526 . 6.000 2.655 2.064 3.462 . 0 0 "[ . 1 . 2]" 1
426 1 28 LEU QD 1 55 ARG H 3.780 . 5.566 3.635 3.224 4.105 . 0 0 "[ . 1 . 2]" 1
427 1 28 LEU QD 1 56 GLY H 3.119 . 4.312 2.158 1.779 2.488 0.124 8 0 "[ . 1 . 2]" 1
428 1 28 LEU QD 1 56 GLY QA 3.045 . 4.204 2.239 1.760 2.870 0.126 17 0 "[ . 1 . 2]" 1
429 1 28 LEU QD 1 58 PHE HD2 3.299 . 6.000 2.980 1.995 4.232 . 0 0 "[ . 1 . 2]" 1
430 1 28 LEU HG 1 47 TRP HD1 3.899 . 5.799 5.805 5.500 6.653 0.854 18 1 "[ . 1 . + 2]" 1
431 1 28 LEU HG 1 49 GLY QA 3.145 . 4.381 3.349 2.782 4.259 . 0 0 "[ . 1 . 2]" 1
432 1 28 LEU HG 1 58 PHE HD2 4.022 . 6.044 3.928 3.388 4.808 . 0 0 "[ . 1 . 2]" 1
433 1 29 ALA H 1 29 ALA HA 2.732 . 3.665 2.892 2.860 2.910 . 0 0 "[ . 1 . 2]" 1
434 1 29 ALA H 1 29 ALA MB 2.322 . 2.996 2.247 2.204 2.285 . 0 0 "[ . 1 . 2]" 1
435 1 29 ALA H 1 30 LEU H 2.917 . 3.980 4.115 3.980 4.222 0.242 8 0 "[ . 1 . 2]" 1
436 1 29 ALA H 1 30 LEU QD 3.643 . 5.302 3.630 2.720 4.000 . 0 0 "[ . 1 . 2]" 1
437 1 29 ALA HA 1 29 ALA MB 2.082 . 2.624 2.115 2.108 2.121 . 0 0 "[ . 1 . 2]" 1
438 1 29 ALA HA 1 30 LEU H . . 2.685 2.145 2.076 2.232 . 0 0 "[ . 1 . 2]" 1
439 1 29 ALA HA 1 30 LEU H 2.150 . 2.728 2.087 2.030 2.157 . 0 0 "[ . 1 . 2]" 1
440 1 30 LEU H 1 30 LEU HA 2.851 . 3.867 2.902 2.872 2.965 . 0 0 "[ . 1 . 2]" 1
441 1 30 LEU H 1 30 LEU QD 3.660 . 5.334 1.946 1.708 2.689 0.278 5 0 "[ . 1 . 2]" 1
442 1 30 LEU H 1 30 LEU HG 2.804 . 3.787 3.329 2.693 4.548 0.761 16 2 "[ . 1 - .+ 2]" 1
443 1 30 LEU H 1 31 GLU H 2.837 . 3.843 3.964 3.927 3.990 0.147 11 0 "[ . 1 . 2]" 1
444 1 30 LEU H 1 31 GLU QG 3.138 . 4.369 4.566 4.228 4.912 0.543 15 1 "[ . 1 + 2]" 1
445 1 30 LEU HA 1 30 LEU QD 2.159 . 6.000 3.202 2.279 3.323 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU HA 1 31 GLU H 2.478 . 3.246 2.608 2.454 2.773 . 0 0 "[ . 1 . 2]" 1
447 1 30 LEU HB2 1 30 LEU QD 2.610 . 3.462 2.152 2.039 2.390 . 0 0 "[ . 1 . 2]" 1
448 1 30 LEU HB2 1 31 GLU H 2.638 . 3.508 2.422 2.129 3.495 . 0 0 "[ . 1 . 2]" 1
449 1 30 LEU HB2 1 34 GLU HB2 3.031 . 4.180 3.002 2.660 4.424 0.244 12 0 "[ . 1 . 2]" 1
450 1 30 LEU HB3 1 30 LEU QD 2.690 . 3.594 2.227 2.032 2.389 . 0 0 "[ . 1 . 2]" 1
451 1 30 LEU HB3 1 34 GLU H 3.856 . 5.715 5.603 4.515 6.171 0.456 5 0 "[ . 1 . 2]" 1
452 1 30 LEU HB3 1 31 GLU H 2.647 . 3.523 3.301 2.096 3.749 0.226 4 0 "[ . 1 . 2]" 1
453 1 30 LEU HB3 1 34 GLU HB2 3.142 . 4.376 3.846 2.675 4.443 0.067 18 0 "[ . 1 . 2]" 1
454 1 30 LEU MD1 1 30 LEU MD2 1.775 . 6.000 2.022 1.937 2.069 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU QD 1 35 LEU HA 2.702 . 6.000 4.596 4.269 4.933 . 0 0 "[ . 1 . 2]" 1
456 1 30 LEU QD 1 58 PHE HB2 3.027 . 6.000 3.926 3.183 4.617 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU QD 1 58 PHE HB3 2.795 . 6.000 4.408 3.496 5.223 . 0 0 "[ . 1 . 2]" 1
458 1 30 LEU QD 1 58 PHE HD2 3.280 . 4.625 3.164 2.426 3.906 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU QD 1 58 PHE HE2 3.340 . 4.734 3.190 2.533 3.939 . 0 0 "[ . 1 . 2]" 1
460 1 30 LEU QD 1 58 PHE HZ 3.664 . 6.000 4.220 3.672 5.293 . 0 0 "[ . 1 . 2]" 1
461 1 31 GLU H 1 31 GLU HA 2.686 . 3.588 2.920 2.904 2.937 . 0 0 "[ . 1 . 2]" 1
462 1 31 GLU H 1 31 GLU QG 3.023 . 4.165 3.211 2.321 4.013 . 0 0 "[ . 1 . 2]" 1
463 1 31 GLU H 1 31 GLU QG 2.917 . 3.980 2.224 1.829 2.611 0.025 9 0 "[ . 1 . 2]" 1
464 1 31 GLU H 1 34 GLU HB2 3.043 . 4.201 2.543 2.251 3.093 . 0 0 "[ . 1 . 2]" 1
465 1 31 GLU H 1 34 GLU QG 2.808 . 3.793 2.309 1.900 2.647 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLU HA 1 31 GLU HB2 2.462 . 3.220 2.393 2.348 2.436 . 0 0 "[ . 1 . 2]" 1
467 1 31 GLU HA 1 31 GLU HB3 2.576 . 3.405 2.755 2.461 3.031 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLU HA 1 32 VAL H 2.274 . 2.583 2.621 2.440 2.802 0.219 11 0 "[ . 1 . 2]" 1
469 1 31 GLU HB2 1 31 GLU QG 2.191 . 2.791 2.344 2.277 2.378 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLU HB2 1 31 GLU QG 2.200 . 2.805 2.022 1.999 2.044 . 0 0 "[ . 1 . 2]" 1
471 1 31 GLU HB3 1 31 GLU QG 2.320 . 2.993 2.321 2.281 2.393 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLU HB3 1 32 VAL HA 3.005 . 6.000 5.638 5.344 5.905 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLU HB3 1 34 GLU QG 2.690 . 3.595 3.256 2.209 4.216 0.621 9 3 "[ . +1- . * 2]" 1
474 1 31 GLU QG 1 32 VAL H 3.321 . 4.700 2.226 1.742 2.757 0.200 13 0 "[ . 1 . 2]" 1
475 1 31 GLU QG 1 32 VAL HA 2.766 . 3.722 3.989 3.793 4.160 0.438 14 0 "[ . 1 . 2]" 1
476 1 31 GLU QG 1 33 GLY H 2.651 . 3.529 3.860 3.792 3.930 0.401 4 0 "[ . 1 . 2]" 1
477 1 31 GLU QG 1 34 GLU H 2.438 . 6.000 4.272 3.536 4.791 . 0 0 "[ . 1 . 2]" 1
478 1 32 VAL H 1 33 GLY H 2.987 . 6.000 4.432 4.371 4.483 . 0 0 "[ . 1 . 2]" 1
479 1 32 VAL HA 1 32 VAL HB 2.723 . 3.650 2.732 2.352 3.024 . 0 0 "[ . 1 . 2]" 1
480 1 32 VAL HA 1 32 VAL MG1 2.275 . 2.922 2.748 2.304 3.212 0.290 16 0 "[ . 1 . 2]" 1
481 1 32 VAL HA 1 33 GLY H 2.205 . 2.813 2.130 2.093 2.178 . 0 0 "[ . 1 . 2]" 1
482 1 32 VAL HA 1 33 GLY QA 3.336 . 4.727 3.861 3.819 3.887 . 0 0 "[ . 1 . 2]" 1
483 1 32 VAL HA 1 34 GLU H 3.154 . 4.397 3.581 3.462 3.710 . 0 0 "[ . 1 . 2]" 1
484 1 32 VAL HB 1 32 VAL MG1 1.891 . 6.000 2.125 2.113 2.131 . 0 0 "[ . 1 . 2]" 1
485 1 32 VAL HB 1 33 GLY H 3.821 . 5.646 4.274 4.197 4.351 . 0 0 "[ . 1 . 2]" 1
486 1 32 VAL MG1 1 33 GLY H 2.533 . 3.335 3.516 2.836 4.251 0.916 1 9 "[+ .* **** .- **2]" 1
487 1 32 VAL MG1 1 33 GLY QA 2.968 . 4.069 3.451 2.961 4.089 0.020 1 0 "[ . 1 . 2]" 1
488 1 32 VAL MG1 1 34 GLU H 2.913 . 6.000 4.758 4.515 5.085 . 0 0 "[ . 1 . 2]" 1
489 1 33 GLY H 1 34 GLU H 2.718 . 3.302 2.177 2.108 2.275 . 0 0 "[ . 1 . 2]" 1
490 1 33 GLY H 1 34 GLU QG 2.920 . 6.000 4.130 4.053 4.335 . 0 0 "[ . 1 . 2]" 1
491 1 33 GLY QA 1 34 GLU H 2.978 . 4.087 2.915 2.902 2.928 . 0 0 "[ . 1 . 2]" 1
492 1 34 GLU H 1 34 GLU HA 2.539 . 3.345 2.922 2.897 2.940 . 0 0 "[ . 1 . 2]" 1
493 1 34 GLU H 1 34 GLU HB2 2.666 . 3.555 2.512 2.406 2.576 . 0 0 "[ . 1 . 2]" 1
494 1 34 GLU H 1 34 GLU HB3 2.560 . 6.000 3.668 3.621 3.703 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLU H 1 34 GLU QG 2.474 . 2.866 2.594 2.404 2.726 . 0 0 "[ . 1 . 2]" 1
496 1 34 GLU H 1 35 LEU H 3.836 . 5.675 4.487 4.426 4.577 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLU HA 1 34 GLU HB2 2.418 . 3.149 3.019 3.011 3.030 . 0 0 "[ . 1 . 2]" 1
498 1 34 GLU HA 1 34 GLU HB3 2.587 . 3.424 2.457 2.428 2.527 . 0 0 "[ . 1 . 2]" 1
499 1 34 GLU HA 1 34 GLU QG 2.545 . 2.895 2.318 2.234 2.413 . 0 0 "[ . 1 . 2]" 1
500 1 34 GLU HA 1 35 LEU H 2.292 . 2.949 2.600 2.434 2.709 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLU HA 1 35 LEU QB 2.697 . 6.000 3.857 3.633 3.963 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLU HB2 1 34 GLU QG 2.374 . 3.079 2.209 2.175 2.245 . 0 0 "[ . 1 . 2]" 1
503 1 34 GLU HB2 1 35 LEU H 2.624 . 3.485 3.201 3.009 3.517 0.032 10 0 "[ . 1 . 2]" 1
504 1 34 GLU HB3 1 34 GLU QG 2.277 . 2.839 2.463 2.424 2.493 . 0 0 "[ . 1 . 2]" 1
505 1 34 GLU QG 1 35 LEU H 3.041 . 4.197 3.874 3.687 4.020 . 0 0 "[ . 1 . 2]" 1
506 1 35 LEU H 1 35 LEU HA 2.940 . 4.020 2.934 2.916 2.941 . 0 0 "[ . 1 . 2]" 1
507 1 35 LEU H 1 35 LEU QB 2.484 . 3.255 2.545 2.425 2.643 . 0 0 "[ . 1 . 2]" 1
508 1 35 LEU H 1 35 LEU QD 3.417 . 4.877 3.833 3.673 3.971 . 0 0 "[ . 1 . 2]" 1
509 1 35 LEU H 1 36 VAL H 3.744 . 5.496 4.326 4.136 4.465 . 0 0 "[ . 1 . 2]" 1
510 1 35 LEU HA 1 35 LEU QD 2.341 . 3.026 2.121 1.969 2.275 . 0 0 "[ . 1 . 2]" 1
511 1 35 LEU HA 1 36 VAL H 2.236 . 2.861 2.227 2.107 2.364 . 0 0 "[ . 1 . 2]" 1
512 1 35 LEU QB 1 35 LEU QD 2.612 . 3.465 1.986 1.871 2.081 . 0 0 "[ . 1 . 2]" 1
513 1 35 LEU QB 1 36 VAL HA 2.961 . 4.057 3.757 3.612 3.886 . 0 0 "[ . 1 . 2]" 1
514 1 35 LEU QD 1 36 VAL H 2.869 . 3.898 2.123 1.840 2.638 . 0 0 "[ . 1 . 2]" 1
515 1 35 LEU QD 1 36 VAL HA 2.064 . 6.000 3.435 2.605 4.123 . 0 0 "[ . 1 . 2]" 1
516 1 35 LEU QD 1 36 VAL HB 3.066 . 6.000 4.603 3.785 5.425 . 0 0 "[ . 1 . 2]" 1
517 1 35 LEU QD 1 36 VAL QG 2.480 . 6.000 3.304 3.112 3.786 . 0 0 "[ . 1 . 2]" 1
518 1 35 LEU HG 1 36 VAL H 2.513 . 6.000 3.289 1.861 4.866 . 0 0 "[ . 1 . 2]" 1
519 1 35 LEU HG 1 52 ASN QD 2.380 . 6.000 5.071 4.020 5.693 . 0 0 "[ . 1 . 2]" 1
520 1 36 VAL H 1 36 VAL QG 2.650 . 6.000 2.255 1.981 2.463 . 0 0 "[ . 1 . 2]" 1
521 1 36 VAL H 1 37 LYS H 3.710 . 5.431 4.276 3.968 4.462 . 0 0 "[ . 1 . 2]" 1
522 1 36 VAL HA 1 36 VAL HB 2.825 . 3.823 2.443 2.362 2.993 . 0 0 "[ . 1 . 2]" 1
523 1 36 VAL HA 1 36 VAL QG 2.147 . 6.000 2.348 2.132 2.433 . 0 0 "[ . 1 . 2]" 1
524 1 36 VAL HA 1 37 LYS H 2.299 . 2.960 2.221 2.107 2.501 . 0 0 "[ . 1 . 2]" 1
525 1 36 VAL HA 1 51 CYS HB2 2.825 . 3.822 2.794 1.984 3.617 . 0 0 "[ . 1 . 2]" 1
526 1 36 VAL HB 1 36 VAL QG 2.208 . 2.741 1.893 1.888 1.896 . 0 0 "[ . 1 . 2]" 1
527 1 36 VAL QG 1 37 LYS H 2.769 . 3.727 2.667 2.208 3.218 . 0 0 "[ . 1 . 2]" 1
528 1 36 VAL QG 1 37 LYS HA 2.680 . 6.000 3.556 3.384 3.774 . 0 0 "[ . 1 . 2]" 1
529 1 36 VAL QG 1 38 VAL QG 1.978 . 6.000 2.141 1.883 2.560 . 0 0 "[ . 1 . 2]" 1
530 1 36 VAL QG 1 50 GLU H 2.983 . 4.096 2.568 2.135 3.673 . 0 0 "[ . 1 . 2]" 1
531 1 36 VAL QG 1 51 CYS HB2 2.447 . 6.000 2.535 1.342 4.001 0.356 20 0 "[ . 1 . 2]" 1
532 1 37 LYS H 1 37 LYS HA 2.852 . 3.869 2.925 2.893 2.946 . 0 0 "[ . 1 . 2]" 1
533 1 37 LYS H 1 37 LYS HB2 2.792 . 3.766 2.817 2.633 3.327 . 0 0 "[ . 1 . 2]" 1
534 1 37 LYS H 1 37 LYS HB3 2.685 . 3.586 2.554 2.405 2.818 . 0 0 "[ . 1 . 2]" 1
535 1 37 LYS H 1 37 LYS QG 3.867 . 5.736 4.030 3.961 4.120 . 0 0 "[ . 1 . 2]" 1
536 1 37 LYS H 1 49 GLY QA 4.166 . 6.335 4.738 4.347 5.051 . 0 0 "[ . 1 . 2]" 1
537 1 37 LYS H 1 50 GLU H 2.765 . 3.721 3.408 3.058 3.719 . 0 0 "[ . 1 . 2]" 1
538 1 37 LYS HA 1 37 LYS HB2 2.728 . 3.658 2.489 2.356 2.620 . 0 0 "[ . 1 . 2]" 1
539 1 37 LYS HA 1 37 LYS HB3 2.994 . 4.114 3.025 3.002 3.034 . 0 0 "[ . 1 . 2]" 1
540 1 37 LYS HA 1 37 LYS QG 2.269 . 2.913 2.432 2.290 2.611 . 0 0 "[ . 1 . 2]" 1
541 1 37 LYS HA 1 38 VAL H 2.402 . 3.123 2.202 2.148 2.249 . 0 0 "[ . 1 . 2]" 1
542 1 37 LYS HA 1 38 VAL QG 2.396 . 6.000 3.674 3.407 3.950 . 0 0 "[ . 1 . 2]" 1
543 1 37 LYS HB3 1 37 LYS HD2 2.285 . 2.938 2.730 2.142 3.130 0.192 20 0 "[ . 1 . 2]" 1
544 1 37 LYS HB3 1 37 LYS HD2 2.038 . 2.557 2.313 1.965 2.698 0.141 9 0 "[ . 1 . 2]" 1
545 1 37 LYS HB3 1 37 LYS QG 2.427 . 3.163 2.379 2.280 2.504 . 0 0 "[ . 1 . 2]" 1
546 1 37 LYS HB3 1 38 VAL QG 2.860 . 6.000 3.855 3.181 4.704 . 0 0 "[ . 1 . 2]" 1
547 1 37 LYS HD2 1 37 LYS QG 2.190 . 6.000 2.371 2.304 2.457 . 0 0 "[ . 1 . 2]" 1
548 1 37 LYS HD2 1 39 THR MG 2.483 . 6.000 4.449 2.285 6.556 0.556 5 1 "[ + 1 . 2]" 1
549 1 37 LYS HE2 1 37 LYS QG 2.385 . 3.096 2.779 2.345 3.380 0.284 11 0 "[ . 1 . 2]" 1
550 1 37 LYS QG 1 38 VAL H 2.881 . 3.918 3.450 3.031 3.584 . 0 0 "[ . 1 . 2]" 1
551 1 38 VAL H 1 38 VAL HB 2.604 . 3.451 2.895 2.239 3.709 0.258 19 0 "[ . 1 . 2]" 1
552 1 38 VAL H 1 38 VAL QG 2.618 . 3.475 2.121 1.805 2.373 . 0 0 "[ . 1 . 2]" 1
553 1 38 VAL HA 1 38 VAL QG 2.067 . 6.000 2.245 2.066 2.591 . 0 0 "[ . 1 . 2]" 1
554 1 38 VAL HA 1 39 THR H 2.375 . 3.080 2.077 2.020 2.150 . 0 0 "[ . 1 . 2]" 1
555 1 38 VAL HA 1 39 THR HA 2.587 . 6.000 4.328 4.279 4.381 . 0 0 "[ . 1 . 2]" 1
556 1 38 VAL HA 1 39 THR MG 2.751 . 3.697 3.584 3.358 3.648 . 0 0 "[ . 1 . 2]" 1
557 1 38 VAL HA 1 40 LYS H 3.022 . 4.163 3.570 3.340 3.863 . 0 0 "[ . 1 . 2]" 1
558 1 38 VAL HA 1 49 GLY QA 2.686 . 3.588 1.796 1.656 2.102 0.128 19 0 "[ . 1 . 2]" 1
559 1 38 VAL HA 1 50 GLU H 3.548 . 5.122 2.028 1.889 2.144 0.085 18 0 "[ . 1 . 2]" 1
560 1 38 VAL HB 1 39 THR MG 2.205 . 6.000 5.333 4.854 5.619 . 0 0 "[ . 1 . 2]" 1
561 1 38 VAL HB 1 47 TRP HE3 3.951 . 5.903 5.536 4.874 5.946 0.043 18 0 "[ . 1 . 2]" 1
562 1 38 VAL MG1 1 38 VAL MG2 1.946 . 6.000 2.069 2.035 2.120 . 0 0 "[ . 1 . 2]" 1
563 1 38 VAL QG 1 39 THR H 2.984 . 4.097 3.038 2.529 3.599 . 0 0 "[ . 1 . 2]" 1
564 1 38 VAL QG 1 40 LYS H 2.688 . 3.591 2.640 2.030 3.409 . 0 0 "[ . 1 . 2]" 1
565 1 38 VAL QG 1 41 ILE MD 2.556 . 6.000 4.349 1.978 4.848 . 0 0 "[ . 1 . 2]" 1
566 1 38 VAL QG 1 41 ILE HG12 2.921 . 6.000 4.794 4.158 5.341 . 0 0 "[ . 1 . 2]" 1
567 1 38 VAL QG 1 41 ILE HG13 2.529 . 6.000 4.124 3.661 4.880 . 0 0 "[ . 1 . 2]" 1
568 1 38 VAL QG 1 41 ILE MG 2.663 . 3.549 1.983 1.698 2.664 0.079 5 0 "[ . 1 . 2]" 1
569 1 38 VAL QG 1 47 TRP HB2 3.106 . 4.312 2.295 1.723 3.124 0.177 16 0 "[ . 1 . 2]" 1
570 1 38 VAL QG 1 47 TRP HD1 2.561 . 3.381 2.681 2.366 2.933 . 0 0 "[ . 1 . 2]" 1
571 1 38 VAL QG 1 47 TRP HE3 3.744 . 5.374 3.477 3.096 3.977 . 0 0 "[ . 1 . 2]" 1
572 1 38 VAL QG 1 47 TRP HH2 4.291 . 6.593 4.855 4.080 5.489 . 0 0 "[ . 1 . 2]" 1
573 1 38 VAL QG 1 47 TRP HZ2 4.046 . 6.093 4.114 3.213 4.823 . 0 0 "[ . 1 . 2]" 1
574 1 38 VAL QG 1 48 GLU H 3.560 . 6.000 3.401 2.811 4.227 . 0 0 "[ . 1 . 2]" 1
575 1 38 VAL QG 1 49 GLY QA 2.667 . 3.556 1.978 1.734 2.892 0.066 5 0 "[ . 1 . 2]" 1
576 1 39 THR H 1 39 THR MG 2.998 . 4.122 2.422 1.772 2.747 0.102 3 0 "[ . 1 . 2]" 1
577 1 39 THR H 1 40 LYS H 2.298 . 2.958 2.260 2.131 2.359 . 0 0 "[ . 1 . 2]" 1
578 1 39 THR H 1 48 GLU H 3.955 . 5.910 5.276 4.698 5.517 . 0 0 "[ . 1 . 2]" 1
579 1 39 THR H 1 49 GLY QA 2.769 . 3.728 3.033 2.623 3.272 . 0 0 "[ . 1 . 2]" 1
580 1 39 THR H 1 50 GLU H 3.168 . 4.422 3.470 3.011 3.889 . 0 0 "[ . 1 . 2]" 1
581 1 39 THR HA 1 39 THR HB 2.249 . 2.881 2.489 2.402 2.570 . 0 0 "[ . 1 . 2]" 1
582 1 39 THR HA 1 39 THR MG 2.169 . 6.000 2.487 2.245 3.215 . 0 0 "[ . 1 . 2]" 1
583 1 39 THR HA 1 40 LYS QD 2.967 . 6.000 5.883 5.545 6.103 0.103 19 0 "[ . 1 . 2]" 1
584 1 39 THR HA 1 41 ILE HG13 2.940 . 6.000 4.953 4.179 6.120 0.120 2 0 "[ . 1 . 2]" 1
585 1 39 THR HB 1 39 THR MG 2.092 . 6.000 2.136 2.124 2.141 . 0 0 "[ . 1 . 2]" 1
586 1 39 THR HB 1 40 LYS H 3.254 . 4.578 4.112 3.727 4.421 . 0 0 "[ . 1 . 2]" 1
587 1 39 THR MG 1 40 LYS H 3.494 . 5.020 3.883 2.760 4.258 . 0 0 "[ . 1 . 2]" 1
588 1 39 THR MG 1 49 GLY QA 2.383 . 6.000 4.318 3.592 4.765 . 0 0 "[ . 1 . 2]" 1
589 1 39 THR MG 1 50 GLU H 3.502 . 5.035 3.733 3.135 4.290 . 0 0 "[ . 1 . 2]" 1
590 1 39 THR MG 1 50 GLU HB2 2.633 . 3.499 2.905 2.312 3.319 . 0 0 "[ . 1 . 2]" 1
591 1 39 THR MG 1 50 GLU HB3 2.462 . 3.220 2.520 1.979 3.124 . 0 0 "[ . 1 . 2]" 1
592 1 40 LYS H 1 40 LYS HA 2.650 . 3.528 2.946 2.921 2.959 . 0 0 "[ . 1 . 2]" 1
593 1 40 LYS H 1 40 LYS QB 2.756 . 3.706 2.551 2.436 2.669 . 0 0 "[ . 1 . 2]" 1
594 1 40 LYS H 1 41 ILE H 3.735 . 5.479 4.075 3.960 4.221 . 0 0 "[ . 1 . 2]" 1
595 1 40 LYS H 1 41 ILE MG 3.524 . 5.077 3.951 3.510 4.828 . 0 0 "[ . 1 . 2]" 1
596 1 40 LYS H 1 48 GLU H 2.774 . 3.736 3.700 3.277 3.802 0.066 19 0 "[ . 1 . 2]" 1
597 1 40 LYS H 1 48 GLU QB 3.075 . 4.257 3.239 2.408 3.603 . 0 0 "[ . 1 . 2]" 1
598 1 40 LYS H 1 49 GLY H 3.683 . 6.000 5.429 5.193 5.539 . 0 0 "[ . 1 . 2]" 1
599 1 40 LYS H 1 49 GLY QA 3.462 . 4.960 4.072 3.774 4.311 . 0 0 "[ . 1 . 2]" 1
600 1 40 LYS HA 1 40 LYS QB 2.527 . 3.325 2.449 2.357 2.525 . 0 0 "[ . 1 . 2]" 1
601 1 40 LYS HA 1 40 LYS QG 2.450 . 3.200 2.621 2.079 2.987 . 0 0 "[ . 1 . 2]" 1
602 1 40 LYS HA 1 41 ILE H 2.252 . 2.653 2.101 2.008 2.169 . 0 0 "[ . 1 . 2]" 1
603 1 40 LYS HA 1 41 ILE MG 2.675 . 6.000 4.186 3.769 4.919 . 0 0 "[ . 1 . 2]" 1
604 1 40 LYS QB 1 40 LYS HE2 2.588 . 3.425 2.802 1.872 3.928 0.503 11 1 "[ . 1+ . 2]" 1
605 1 40 LYS QB 1 41 ILE H 3.641 . 5.298 3.805 3.528 3.911 . 0 0 "[ . 1 . 2]" 1
606 1 40 LYS QB 1 41 ILE MD 2.996 . 6.000 4.742 4.286 4.915 . 0 0 "[ . 1 . 2]" 1
607 1 40 LYS QB 1 48 GLU H 3.211 . 4.500 2.460 2.005 2.990 . 0 0 "[ . 1 . 2]" 1
608 1 40 LYS QB 1 48 GLU QB 2.766 . 3.569 1.865 1.682 2.205 0.127 13 0 "[ . 1 . 2]" 1
609 1 40 LYS HE2 1 40 LYS QG 2.393 . 6.000 2.846 2.190 3.508 . 0 0 "[ . 1 . 2]" 1
610 1 40 LYS QG 1 41 ILE H 2.858 . 3.879 3.532 3.230 3.917 0.038 15 0 "[ . 1 . 2]" 1
611 1 41 ILE H 1 41 ILE HA 2.756 . 3.706 2.904 2.883 2.917 . 0 0 "[ . 1 . 2]" 1
612 1 41 ILE H 1 41 ILE HB 2.333 . 6.000 3.597 3.147 3.761 . 0 0 "[ . 1 . 2]" 1
613 1 41 ILE H 1 41 ILE MD 3.374 . 4.797 1.870 1.765 2.689 0.186 14 0 "[ . 1 . 2]" 1
614 1 41 ILE H 1 41 ILE HG13 3.314 . 4.687 2.365 2.054 3.809 . 0 0 "[ . 1 . 2]" 1
615 1 41 ILE H 1 41 ILE MG 2.885 . 3.925 3.154 2.936 3.645 . 0 0 "[ . 1 . 2]" 1
616 1 41 ILE H 1 42 ASN H 3.718 . 5.446 4.514 4.457 4.554 . 0 0 "[ . 1 . 2]" 1
617 1 41 ILE HA 1 41 ILE HB 2.885 . 3.926 2.623 2.490 2.897 . 0 0 "[ . 1 . 2]" 1
618 1 41 ILE HA 1 41 ILE MD 2.403 . 3.125 3.272 2.703 3.321 0.196 14 0 "[ . 1 . 2]" 1
619 1 41 ILE HA 1 41 ILE HG12 2.566 . 6.000 4.130 3.467 4.231 . 0 0 "[ . 1 . 2]" 1
620 1 41 ILE HA 1 41 ILE HG13 2.830 . 6.000 3.670 3.524 4.228 . 0 0 "[ . 1 . 2]" 1
621 1 41 ILE HA 1 41 ILE MG 2.689 . 3.593 2.109 2.013 2.201 . 0 0 "[ . 1 . 2]" 1
622 1 41 ILE HA 1 42 ASN H 2.251 . 2.885 2.262 2.117 2.358 . 0 0 "[ . 1 . 2]" 1
623 1 41 ILE HA 1 42 ASN HD21 3.296 . 4.654 3.478 2.875 4.695 0.041 5 0 "[ . 1 . 2]" 1
624 1 41 ILE HA 1 42 ASN HD22 3.394 . 4.834 4.566 4.275 4.859 0.025 7 0 "[ . 1 . 2]" 1
625 1 41 ILE HA 1 47 TRP HA 2.969 . 6.000 4.506 4.079 4.945 . 0 0 "[ . 1 . 2]" 1
626 1 41 ILE HA 1 47 TRP HD1 2.997 . 6.000 5.659 5.444 6.024 0.024 8 0 "[ . 1 . 2]" 1
627 1 41 ILE HA 1 47 TRP HE1 4.238 . 6.484 6.451 6.321 6.604 0.120 8 0 "[ . 1 . 2]" 1
628 1 41 ILE HA 1 48 GLU H 3.760 . 5.527 4.342 4.121 4.514 . 0 0 "[ . 1 . 2]" 1
629 1 41 ILE HB 1 41 ILE MD 2.209 . 6.000 2.637 2.490 3.230 . 0 0 "[ . 1 . 2]" 1
630 1 41 ILE HB 1 41 ILE HG12 2.962 . 4.058 2.434 2.394 2.575 . 0 0 "[ . 1 . 2]" 1
631 1 41 ILE HB 1 41 ILE HG13 2.543 . 3.351 2.926 2.361 3.031 . 0 0 "[ . 1 . 2]" 1
632 1 41 ILE HB 1 41 ILE MG 2.257 . 6.000 2.114 2.103 2.121 . 0 0 "[ . 1 . 2]" 1
633 1 41 ILE HB 1 42 ASN H 3.306 . 4.673 2.596 2.323 3.034 . 0 0 "[ . 1 . 2]" 1
634 1 41 ILE MD 1 41 ILE HG12 2.429 . 3.167 2.106 2.081 2.112 . 0 0 "[ . 1 . 2]" 1
635 1 41 ILE MD 1 41 ILE HG13 2.297 . 2.956 2.097 2.068 2.114 . 0 0 "[ . 1 . 2]" 1
636 1 41 ILE MD 1 42 ASN H 2.902 . 6.000 3.914 3.644 4.724 . 0 0 "[ . 1 . 2]" 1
637 1 41 ILE MD 1 47 TRP HZ3 3.834 . 6.000 5.157 4.870 5.427 . 0 0 "[ . 1 . 2]" 1
638 1 41 ILE HG12 1 41 ILE MG 2.650 . 6.000 2.531 2.340 3.171 . 0 0 "[ . 1 . 2]" 1
639 1 41 ILE HG13 1 41 ILE MG 2.614 . 3.468 2.317 2.171 2.473 . 0 0 "[ . 1 . 2]" 1
640 1 41 ILE MG 1 47 TRP HB2 2.745 . 6.000 3.794 3.509 4.281 . 0 0 "[ . 1 . 2]" 1
641 1 41 ILE MG 1 47 TRP HD1 3.864 . 6.000 5.391 5.059 5.637 . 0 0 "[ . 1 . 2]" 1
642 1 41 ILE MG 1 47 TRP HE1 2.970 . 6.000 5.449 5.116 5.802 . 0 0 "[ . 1 . 2]" 1
643 1 42 ASN H 1 42 ASN HA 2.978 . 4.087 2.902 2.885 2.933 . 0 0 "[ . 1 . 2]" 1
644 1 42 ASN H 1 42 ASN HB3 2.863 . 3.887 3.325 3.091 3.734 . 0 0 "[ . 1 . 2]" 1
645 1 42 ASN H 1 42 ASN HD21 3.933 . 5.866 2.443 2.041 3.047 . 0 0 "[ . 1 . 2]" 1
646 1 42 ASN H 1 42 ASN HD22 3.096 . 4.294 3.524 3.292 3.747 . 0 0 "[ . 1 . 2]" 1
647 1 42 ASN H 1 47 TRP HA 3.436 . 4.912 4.955 4.689 5.027 0.115 5 0 "[ . 1 . 2]" 1
648 1 42 ASN H 1 47 TRP HD1 3.111 . 4.321 4.124 3.439 4.348 0.027 4 0 "[ . 1 . 2]" 1
649 1 42 ASN H 1 68 GLN QE 3.160 . 4.408 4.189 3.457 4.441 0.033 4 0 "[ . 1 . 2]" 1
650 1 42 ASN HA 1 42 ASN HB2 2.518 . 3.310 2.441 2.341 2.714 . 0 0 "[ . 1 . 2]" 1
651 1 42 ASN HB2 1 47 TRP HZ3 3.735 . 5.478 5.646 5.197 6.017 0.539 3 2 "[ + . 1 - 2]" 1
652 1 42 ASN HD21 1 44 SER H 3.433 . 4.906 4.205 2.773 4.934 0.028 1 0 "[ . 1 . 2]" 1
653 1 42 ASN HD21 1 46 GLN HA 3.129 . 6.000 5.177 4.899 5.792 . 0 0 "[ . 1 . 2]" 1
654 1 42 ASN HD21 1 47 TRP HH2 3.299 . 6.000 5.582 4.867 5.902 . 0 0 "[ . 1 . 2]" 1
655 1 42 ASN HD21 1 47 TRP HZ2 3.577 . 6.000 6.031 5.686 6.204 0.204 10 0 "[ . 1 . 2]" 1
656 1 42 ASN HD22 1 46 GLN HA 2.941 . 4.022 3.807 3.583 4.125 0.103 9 0 "[ . 1 . 2]" 1
657 1 43 VAL HA 1 43 VAL HB 2.178 . 2.771 2.521 2.431 2.993 0.222 9 0 "[ . 1 . 2]" 1
658 1 43 VAL HA 1 43 VAL MG1 2.304 . 2.967 2.862 2.293 3.222 0.255 19 0 "[ . 1 . 2]" 1
659 1 43 VAL HA 1 43 VAL MG2 1.994 . 6.000 2.595 2.189 3.213 . 0 0 "[ . 1 . 2]" 1
660 1 43 VAL HA 1 44 SER H 2.668 . 3.558 2.669 2.421 3.126 . 0 0 "[ . 1 . 2]" 1
661 1 43 VAL HB 1 43 VAL QG 2.031 . 2.547 1.894 1.889 1.898 . 0 0 "[ . 1 . 2]" 1
662 1 43 VAL MG2 1 44 SER HA 2.863 . 6.000 3.850 3.196 5.319 . 0 0 "[ . 1 . 2]" 1
663 1 43 VAL MG2 1 44 SER HB2 3.014 . 6.000 5.418 4.320 6.649 0.649 9 1 "[ . +1 . 2]" 1
664 1 44 SER H 1 44 SER HA 2.927 . 3.998 2.877 2.786 2.949 . 0 0 "[ . 1 . 2]" 1
665 1 44 SER H 1 45 GLY H 2.775 . 3.738 2.485 2.084 2.825 . 0 0 "[ . 1 . 2]" 1
666 1 44 SER HA 1 44 SER HB2 2.258 . 6.000 2.962 2.594 3.024 . 0 0 "[ . 1 . 2]" 1
667 1 44 SER HB2 1 45 GLY H 3.047 . 4.207 2.795 2.519 3.870 . 0 0 "[ . 1 . 2]" 1
668 1 44 SER HB2 1 46 GLN H 3.146 . 4.383 2.536 2.286 3.109 . 0 0 "[ . 1 . 2]" 1
669 1 44 SER HB2 1 60 PHE H 2.914 . 6.000 6.107 5.973 6.279 0.279 11 0 "[ . 1 . 2]" 1
670 1 45 GLY H 1 45 GLY HA2 2.535 . 3.338 2.457 2.315 2.543 . 0 0 "[ . 1 . 2]" 1
671 1 45 GLY H 1 45 GLY HA3 2.758 . 3.709 2.944 2.878 2.957 . 0 0 "[ . 1 . 2]" 1
672 1 45 GLY H 1 46 GLN HA 3.649 . 5.313 4.781 4.650 5.188 . 0 0 "[ . 1 . 2]" 1
673 1 45 GLY H 1 47 TRP HE1 3.382 . 6.000 6.104 6.023 6.170 0.170 18 0 "[ . 1 . 2]" 1
674 1 45 GLY HA2 1 46 GLN H 2.560 . 3.379 3.318 2.888 3.447 0.068 5 0 "[ . 1 . 2]" 1
675 1 45 GLY HA2 1 46 GLN HB2 3.009 . 4.141 3.912 3.765 4.063 . 0 0 "[ . 1 . 2]" 1
676 1 45 GLY HA2 1 47 TRP HD1 4.483 . 6.000 5.046 4.634 5.433 . 0 0 "[ . 1 . 2]" 1
677 1 45 GLY HA2 1 47 TRP HE1 3.170 . 4.426 3.991 3.820 4.286 . 0 0 "[ . 1 . 2]" 1
678 1 45 GLY HA3 1 46 GLN H 2.584 . 3.418 3.225 3.001 3.472 0.054 14 0 "[ . 1 . 2]" 1
679 1 45 GLY HA3 1 47 TRP HD1 2.815 . 6.000 5.992 5.553 6.769 0.769 14 1 "[ . 1 +. 2]" 1
680 1 45 GLY HA3 1 47 TRP HE1 4.205 . 6.415 4.822 4.464 5.598 . 0 0 "[ . 1 . 2]" 1
681 1 45 GLY HA3 1 60 PHE QD 3.954 . 5.909 2.366 1.759 3.264 0.240 7 0 "[ . 1 . 2]" 1
682 1 46 GLN H 1 46 GLN HB2 2.842 . 3.851 2.702 2.268 3.431 . 0 0 "[ . 1 . 2]" 1
683 1 46 GLN H 1 46 GLN HB3 2.659 . 3.543 3.184 2.587 3.663 0.120 3 0 "[ . 1 . 2]" 1
684 1 46 GLN H 1 46 GLN QG 3.410 . 4.863 3.436 1.878 4.331 0.079 9 0 "[ . 1 . 2]" 1
685 1 46 GLN H 1 47 TRP H 3.758 . 5.523 3.996 3.722 4.315 . 0 0 "[ . 1 . 2]" 1
686 1 46 GLN H 1 47 TRP HD1 4.113 . 6.228 5.734 5.268 6.036 . 0 0 "[ . 1 . 2]" 1
687 1 46 GLN H 1 47 TRP HE1 3.521 . 6.000 5.986 5.521 6.081 0.081 20 0 "[ . 1 . 2]" 1
688 1 46 GLN H 1 60 PHE H 3.246 . 4.563 4.415 4.020 4.616 0.053 13 0 "[ . 1 . 2]" 1
689 1 46 GLN HA 1 46 GLN HB3 2.398 . 3.117 2.504 2.173 2.696 . 0 0 "[ . 1 . 2]" 1
690 1 46 GLN HA 1 46 GLN QG 2.534 . 3.337 2.515 2.256 3.182 . 0 0 "[ . 1 . 2]" 1
691 1 46 GLN HA 1 47 TRP H 2.448 . 3.141 2.233 2.128 2.370 . 0 0 "[ . 1 . 2]" 1
692 1 46 GLN HA 1 47 TRP HD1 4.087 . 6.175 4.120 3.890 4.394 . 0 0 "[ . 1 . 2]" 1
693 1 46 GLN HA 1 59 PRO HA 2.383 . 3.093 1.883 1.647 2.410 0.026 20 0 "[ . 1 . 2]" 1
694 1 46 GLN HA 1 60 PHE H 3.048 . 4.209 3.415 3.054 3.812 . 0 0 "[ . 1 . 2]" 1
695 1 46 GLN HA 1 60 PHE QD 4.287 . 6.584 4.848 3.109 5.956 . 0 0 "[ . 1 . 2]" 1
696 1 46 GLN HB2 1 46 GLN QG 2.157 . 2.738 2.267 2.130 2.452 . 0 0 "[ . 1 . 2]" 1
697 1 46 GLN HB3 1 46 GLN QG 2.379 . 3.013 2.311 2.135 2.505 . 0 0 "[ . 1 . 2]" 1
698 1 46 GLN QE 1 46 GLN QG 3.158 . 3.945 2.393 2.172 2.718 . 0 0 "[ . 1 . 2]" 1
699 1 46 GLN QE 1 47 TRP HD1 3.084 . 6.000 5.378 4.449 5.978 . 0 0 "[ . 1 . 2]" 1
700 1 46 GLN QE 1 47 TRP HE3 3.784 . 6.000 5.861 5.427 5.989 . 0 0 "[ . 1 . 2]" 1
701 1 46 GLN QG 1 60 PHE H 3.273 . 4.612 4.001 2.779 4.436 . 0 0 "[ . 1 . 2]" 1
702 1 47 TRP H 1 47 TRP HA 2.974 . 4.080 2.939 2.907 2.948 . 0 0 "[ . 1 . 2]" 1
703 1 47 TRP H 1 47 TRP HB2 3.092 . 4.287 3.570 3.233 3.751 . 0 0 "[ . 1 . 2]" 1
704 1 47 TRP H 1 47 TRP HB3 2.578 . 6.000 3.536 3.363 3.742 . 0 0 "[ . 1 . 2]" 1
705 1 47 TRP H 1 58 PHE H 2.938 . 4.017 3.539 3.294 3.776 . 0 0 "[ . 1 . 2]" 1
706 1 47 TRP H 1 60 PHE QD 3.790 . 6.000 5.604 4.955 5.953 . 0 0 "[ . 1 . 2]" 1
707 1 47 TRP HA 1 47 TRP HB2 2.814 . 3.804 2.693 2.616 2.879 . 0 0 "[ . 1 . 2]" 1
708 1 47 TRP HA 1 47 TRP HD1 3.085 . 4.275 4.161 4.010 4.424 0.149 8 0 "[ . 1 . 2]" 1
709 1 47 TRP HA 1 48 GLU H 2.819 . 3.812 2.501 2.385 2.582 . 0 0 "[ . 1 . 2]" 1
710 1 47 TRP HB2 1 47 TRP HD1 3.113 . 4.324 3.134 2.751 3.278 . 0 0 "[ . 1 . 2]" 1
711 1 47 TRP HB2 1 48 GLU H 2.620 . 3.478 2.189 1.932 2.669 . 0 0 "[ . 1 . 2]" 1
712 1 47 TRP HB3 1 47 TRP HZ3 3.631 . 5.279 4.739 4.674 4.790 . 0 0 "[ . 1 . 2]" 1
713 1 47 TRP HD1 1 49 GLY QA 2.952 . 4.017 4.421 4.284 4.539 0.522 19 2 "[- . 1 . +2]" 1
714 1 47 TRP HD1 1 58 PHE H 3.291 . 4.645 3.496 3.218 3.821 . 0 0 "[ . 1 . 2]" 1
715 1 47 TRP HE1 1 65 LEU QD 3.215 . 4.507 3.111 2.197 3.949 . 0 0 "[ . 1 . 2]" 1
716 1 47 TRP HH2 1 65 LEU QD 3.336 . 6.000 3.007 2.202 4.105 . 0 0 "[ . 1 . 2]" 1
717 1 47 TRP HZ2 1 65 LEU QD 2.652 . 3.531 2.008 1.476 3.099 0.297 16 0 "[ . 1 . 2]" 1
718 1 48 GLU H 1 48 GLU HA 2.986 . 4.100 2.925 2.902 2.942 . 0 0 "[ . 1 . 2]" 1
719 1 48 GLU H 1 48 GLU QB 2.627 . 3.490 2.419 2.255 2.545 . 0 0 "[ . 1 . 2]" 1
720 1 48 GLU H 1 49 GLY H 3.683 . 5.379 4.425 4.386 4.474 . 0 0 "[ . 1 . 2]" 1
721 1 48 GLU HA 1 48 GLU QB 2.510 . 3.297 2.239 2.150 2.348 . 0 0 "[ . 1 . 2]" 1
722 1 48 GLU HA 1 49 GLY H 2.416 . 3.146 2.128 2.085 2.171 . 0 0 "[ . 1 . 2]" 1
723 1 48 GLU HA 1 57 HIS HA 2.267 . 2.909 1.848 1.603 2.135 0.022 4 0 "[ . 1 . 2]" 1
724 1 48 GLU HA 1 58 PHE HD2 3.811 . 6.000 6.047 5.652 6.147 0.147 8 0 "[ . 1 . 2]" 1
725 1 48 GLU QB 1 48 GLU HG2 2.305 . 2.969 2.345 2.287 2.434 . 0 0 "[ . 1 . 2]" 1
726 1 48 GLU QB 1 57 HIS HA 2.760 . 3.712 3.404 2.993 3.848 0.136 17 0 "[ . 1 . 2]" 1
727 1 48 GLU QB 1 49 GLY H 3.428 . 3.623 3.394 3.093 3.732 0.109 19 0 "[ . 1 . 2]" 1
728 1 48 GLU HG3 1 57 HIS HB3 3.000 . 4.125 3.089 2.006 4.486 0.361 14 0 "[ . 1 . 2]" 1
729 1 49 GLY H 1 56 GLY H 2.691 . 3.596 3.366 2.852 3.646 0.050 3 0 "[ . 1 . 2]" 1
730 1 49 GLY H 1 57 HIS HA 3.305 . 4.670 2.177 1.915 2.573 0.025 3 0 "[ . 1 . 2]" 1
731 1 49 GLY QA 1 50 GLU H 2.634 . 3.316 2.195 2.166 2.254 . 0 0 "[ . 1 . 2]" 1
732 1 50 GLU H 1 50 GLU HB2 3.095 . 4.292 3.180 2.999 3.373 . 0 0 "[ . 1 . 2]" 1
733 1 50 GLU H 1 50 GLU HB3 2.794 . 3.770 2.732 2.533 2.989 . 0 0 "[ . 1 . 2]" 1
734 1 50 GLU H 1 55 ARG HA 2.976 . 6.000 4.897 4.411 5.210 . 0 0 "[ . 1 . 2]" 1
735 1 50 GLU HA 1 50 GLU HB2 2.554 . 3.369 2.472 2.338 2.586 . 0 0 "[ . 1 . 2]" 1
736 1 50 GLU HA 1 50 GLU HB3 2.514 . 3.304 3.021 2.998 3.028 . 0 0 "[ . 1 . 2]" 1
737 1 50 GLU HA 1 50 GLU HB3 2.568 . 3.392 2.408 2.285 2.629 . 0 0 "[ . 1 . 2]" 1
738 1 50 GLU HA 1 50 GLU HG2 2.600 . 3.445 2.847 2.346 3.313 . 0 0 "[ . 1 . 2]" 1
739 1 50 GLU HA 1 51 CYS H 2.065 . 2.598 2.171 2.113 2.215 . 0 0 "[ . 1 . 2]" 1
740 1 50 GLU HA 1 56 GLY H 2.914 . 3.975 3.463 3.178 3.992 0.017 17 0 "[ . 1 . 2]" 1
741 1 50 GLU HB2 1 51 CYS H 3.172 . 4.430 4.353 4.159 4.471 0.041 14 0 "[ . 1 . 2]" 1
742 1 50 GLU HB2 1 56 GLY H 3.762 . 5.531 4.386 4.064 4.913 . 0 0 "[ . 1 . 2]" 1
743 1 50 GLU HB3 1 50 GLU HG2 1.976 . 2.464 2.644 2.409 3.005 0.541 14 3 "[ . 1*- +. 2]" 1
744 1 50 GLU HG2 1 51 CYS H 3.131 . 4.356 3.218 2.960 3.613 . 0 0 "[ . 1 . 2]" 1
745 1 50 GLU HG2 1 54 LYS H 3.697 . 5.406 4.050 3.179 4.982 . 0 0 "[ . 1 . 2]" 1
746 1 50 GLU HG2 1 55 ARG HA 3.104 . 4.309 4.053 2.571 5.092 0.783 4 2 "[ +. 1 - . 2]" 1
747 1 51 CYS H 1 51 CYS HB2 2.736 . 3.672 3.155 2.825 3.765 0.093 7 0 "[ . 1 . 2]" 1
748 1 51 CYS H 1 54 LYS H 2.649 . 3.526 3.208 2.931 3.469 . 0 0 "[ . 1 . 2]" 1
749 1 51 CYS H 1 54 LYS QD 3.020 . 4.160 3.933 3.674 4.135 . 0 0 "[ . 1 . 2]" 1
750 1 51 CYS HA 1 51 CYS HB2 2.667 . 3.556 2.455 2.373 2.512 . 0 0 "[ . 1 . 2]" 1
751 1 51 CYS HA 1 52 ASN H 3.251 . 4.351 2.147 2.092 2.209 . 0 0 "[ . 1 . 2]" 1
752 1 51 CYS HA 1 53 GLY H 3.226 . 4.527 4.485 4.246 4.662 0.135 20 0 "[ . 1 . 2]" 1
753 1 52 ASN H 1 52 ASN HA 2.910 . 3.968 2.282 2.260 2.320 . 0 0 "[ . 1 . 2]" 1
754 1 52 ASN H 1 53 GLY H 3.486 . 5.005 3.120 2.816 3.371 . 0 0 "[ . 1 . 2]" 1
755 1 52 ASN HA 1 52 ASN HB2 2.350 . 3.041 2.921 2.618 3.027 . 0 0 "[ . 1 . 2]" 1
756 1 52 ASN HA 1 52 ASN HB3 2.609 . 3.460 2.463 2.259 2.612 . 0 0 "[ . 1 . 2]" 1
757 1 52 ASN HA 1 53 GLY H 2.678 . 3.574 2.622 2.488 2.846 . 0 0 "[ . 1 . 2]" 1
758 1 52 ASN HA 1 54 LYS H 3.703 . 5.417 4.580 4.361 4.727 . 0 0 "[ . 1 . 2]" 1
759 1 52 ASN HB2 1 52 ASN QD 2.740 . 3.678 2.862 2.157 3.324 . 0 0 "[ . 1 . 2]" 1
760 1 52 ASN HB3 1 52 ASN QD 2.532 . 3.333 2.912 2.209 3.343 0.010 5 0 "[ . 1 . 2]" 1
761 1 53 GLY H 1 53 GLY HA2 2.612 . 3.465 2.462 2.448 2.485 . 0 0 "[ . 1 . 2]" 1
762 1 53 GLY H 1 53 GLY HA3 2.439 . 3.182 2.957 2.953 2.965 . 0 0 "[ . 1 . 2]" 1
763 1 53 GLY H 1 54 LYS H 2.521 . 3.315 2.760 2.374 2.951 . 0 0 "[ . 1 . 2]" 1
764 1 53 GLY H 1 54 LYS HA 3.261 . 6.000 5.011 4.823 5.118 . 0 0 "[ . 1 . 2]" 1
765 1 53 GLY HA2 1 54 LYS H 3.230 . 4.534 3.533 3.425 3.579 . 0 0 "[ . 1 . 2]" 1
766 1 53 GLY HA3 1 54 LYS H 3.232 . 4.537 2.957 2.854 3.146 . 0 0 "[ . 1 . 2]" 1
767 1 54 LYS H 1 54 LYS HA 2.897 . 3.946 2.909 2.855 2.958 . 0 0 "[ . 1 . 2]" 1
768 1 54 LYS H 1 54 LYS HB2 2.454 . 3.207 2.562 2.432 2.723 . 0 0 "[ . 1 . 2]" 1
769 1 54 LYS H 1 54 LYS QD 2.357 . 3.051 2.433 1.644 3.166 0.115 16 0 "[ . 1 . 2]" 1
770 1 54 LYS H 1 54 LYS HG3 2.640 . 3.511 2.905 1.981 3.556 0.045 11 0 "[ . 1 . 2]" 1
771 1 54 LYS H 1 55 ARG H 3.540 . 5.107 4.557 4.445 4.640 . 0 0 "[ . 1 . 2]" 1
772 1 54 LYS H 1 55 ARG HA 3.800 . 5.605 5.208 4.937 5.366 . 0 0 "[ . 1 . 2]" 1
773 1 54 LYS HA 1 54 LYS HB2 2.423 . 3.157 3.022 3.012 3.031 . 0 0 "[ . 1 . 2]" 1
774 1 54 LYS HA 1 55 ARG H 2.294 . 2.952 2.220 2.169 2.275 . 0 0 "[ . 1 . 2]" 1
775 1 54 LYS HB2 1 54 LYS HG3 2.137 . 2.708 2.208 2.109 2.324 . 0 0 "[ . 1 . 2]" 1
776 1 54 LYS QD 1 54 LYS HG3 2.303 . 2.966 2.305 2.172 2.421 . 0 0 "[ . 1 . 2]" 1
777 1 55 ARG H 1 55 ARG HA 2.711 . 3.630 2.941 2.925 2.953 . 0 0 "[ . 1 . 2]" 1
778 1 55 ARG H 1 55 ARG HB2 2.347 . 3.035 2.737 2.257 3.853 0.818 19 3 "[ . - * . +2]" 1
779 1 55 ARG H 1 55 ARG HG2 2.872 . 3.903 3.866 2.701 4.516 0.613 18 5 "[ - . 1* ** + 2]" 1
780 1 55 ARG HA 1 55 ARG HB2 2.619 . 3.477 2.901 2.380 3.027 . 0 0 "[ . 1 . 2]" 1
781 1 55 ARG HA 1 55 ARG HB3 2.575 . 3.404 2.536 2.364 2.885 . 0 0 "[ . 1 . 2]" 1
782 1 55 ARG HA 1 55 ARG QD 2.751 . 3.697 3.162 1.841 3.698 0.001 10 0 "[ . 1 . 2]" 1
783 1 55 ARG HA 1 55 ARG HG2 2.755 . 3.704 3.073 2.292 4.245 0.541 12 1 "[ . 1 + . 2]" 1
784 1 55 ARG HA 1 56 GLY H 2.301 . 2.963 2.174 2.050 2.335 . 0 0 "[ . 1 . 2]" 1
785 1 55 ARG HB2 1 55 ARG QD 2.511 . 3.299 2.827 2.167 3.497 0.198 10 0 "[ . 1 . 2]" 1
786 1 55 ARG HB2 1 56 GLY H 2.938 . 4.017 3.948 2.805 4.500 0.483 3 0 "[ . 1 . 2]" 1
787 1 55 ARG HB3 1 55 ARG QD 2.713 . 3.633 2.805 2.127 3.489 . 0 0 "[ . 1 . 2]" 1
788 1 55 ARG QD 1 55 ARG HG2 2.124 . 2.688 2.289 2.155 2.414 . 0 0 "[ . 1 . 2]" 1
789 1 55 ARG HG2 1 56 GLY H 3.327 . 4.710 4.511 3.822 5.197 0.487 12 0 "[ . 1 . 2]" 1
790 1 56 GLY H 1 57 HIS H 3.363 . 4.776 4.293 4.194 4.392 . 0 0 "[ . 1 . 2]" 1
791 1 56 GLY QA 1 57 HIS H 2.622 . 3.358 2.238 2.167 2.353 . 0 0 "[ . 1 . 2]" 1
792 1 56 GLY QA 1 57 HIS HD2 3.875 . 5.752 3.312 2.791 3.605 . 0 0 "[ . 1 . 2]" 1
793 1 56 GLY QA 1 58 PHE HD2 4.093 . 6.187 4.310 3.633 4.781 . 0 0 "[ . 1 . 2]" 1
794 1 57 HIS H 1 57 HIS HA 2.961 . 4.057 2.917 2.894 2.952 . 0 0 "[ . 1 . 2]" 1
795 1 57 HIS H 1 57 HIS HB2 2.796 . 6.000 3.839 3.152 3.987 . 0 0 "[ . 1 . 2]" 1
796 1 57 HIS H 1 57 HIS HD2 3.335 . 4.725 3.058 2.402 3.899 . 0 0 "[ . 1 . 2]" 1
797 1 57 HIS H 1 58 PHE H 3.851 . 5.705 4.428 4.291 4.617 . 0 0 "[ . 1 . 2]" 1
798 1 57 HIS HA 1 57 HIS HB2 2.311 . 2.978 2.490 2.395 2.979 0.001 18 0 "[ . 1 . 2]" 1
799 1 57 HIS HA 1 58 PHE H 2.387 . 3.099 2.273 2.204 2.350 . 0 0 "[ . 1 . 2]" 1
800 1 57 HIS HA 1 58 PHE HD2 3.016 . 6.000 4.327 4.027 4.565 . 0 0 "[ . 1 . 2]" 1
801 1 57 HIS HB2 1 57 HIS HD2 3.005 . 4.134 3.849 2.822 3.957 . 0 0 "[ . 1 . 2]" 1
802 1 57 HIS HB2 1 58 PHE H 2.555 . 3.371 2.821 2.500 3.581 0.210 18 0 "[ . 1 . 2]" 1
803 1 58 PHE H 1 58 PHE HD2 3.323 . 4.703 4.279 4.021 4.530 . 0 0 "[ . 1 . 2]" 1
804 1 58 PHE HA 1 58 PHE HB2 2.907 . 3.437 2.955 2.901 2.994 . 0 0 "[ . 1 . 2]" 1
805 1 58 PHE HA 1 58 PHE HB3 2.711 . 3.482 2.713 2.628 2.805 . 0 0 "[ . 1 . 2]" 1
806 1 58 PHE HA 1 58 PHE HD2 3.686 . 5.384 3.951 3.680 4.125 . 0 0 "[ . 1 . 2]" 1
807 1 58 PHE HA 1 59 PRO HD2 2.663 . 3.549 3.145 2.771 3.536 . 0 0 "[ . 1 . 2]" 1
808 1 58 PHE HA 1 59 PRO HD3 2.395 . 3.112 1.991 1.753 2.149 . 0 0 "[ . 1 . 2]" 1
809 1 58 PHE HB2 1 58 PHE HD2 2.926 . 3.996 2.307 2.255 2.414 . 0 0 "[ . 1 . 2]" 1
810 1 58 PHE HB3 1 58 PHE HD2 2.524 . 6.000 3.529 3.410 3.651 . 0 0 "[ . 1 . 2]" 1
811 1 58 PHE HB3 1 59 PRO HD2 2.646 . 3.521 2.461 2.204 2.902 . 0 0 "[ . 1 . 2]" 1
812 1 58 PHE HB3 1 59 PRO HD3 2.917 . 3.981 3.048 2.474 3.519 . 0 0 "[ . 1 . 2]" 1
813 1 58 PHE HD2 1 59 PRO HD2 3.740 . 5.488 5.480 5.284 5.602 0.114 8 0 "[ . 1 . 2]" 1
814 1 59 PRO HA 1 59 PRO HB2 2.591 . 3.430 2.727 2.658 2.861 . 0 0 "[ . 1 . 2]" 1
815 1 59 PRO HA 1 59 PRO HB3 2.413 . 3.141 2.287 2.241 2.316 . 0 0 "[ . 1 . 2]" 1
816 1 59 PRO HA 1 60 PHE H 2.438 . 2.603 2.361 2.201 2.485 . 0 0 "[ . 1 . 2]" 1
817 1 59 PRO HB2 1 60 PHE H 3.444 . 4.926 2.643 2.215 3.115 . 0 0 "[ . 1 . 2]" 1
818 1 59 PRO HB2 1 61 THR H 2.950 . 4.038 2.452 2.151 2.950 . 0 0 "[ . 1 . 2]" 1
819 1 59 PRO HB2 1 62 HIS HE1 3.827 . 6.000 5.673 4.563 6.031 0.031 14 0 "[ . 1 . 2]" 1
820 1 59 PRO HB3 1 59 PRO HG2 2.602 . 3.449 2.899 2.756 2.976 . 0 0 "[ . 1 . 2]" 1
821 1 59 PRO HB3 1 61 THR H 3.491 . 5.015 4.075 3.720 4.424 . 0 0 "[ . 1 . 2]" 1
822 1 59 PRO HD2 1 59 PRO HG2 2.864 . 3.889 2.275 2.251 2.330 . 0 0 "[ . 1 . 2]" 1
823 1 59 PRO HD2 1 62 HIS HB3 3.179 . 6.000 6.116 5.995 6.301 0.301 4 0 "[ . 1 . 2]" 1
824 1 59 PRO HD3 1 59 PRO HG2 2.732 . 3.665 2.816 2.676 2.922 . 0 0 "[ . 1 . 2]" 1
825 1 59 PRO HG2 1 62 HIS HE1 3.431 . 4.902 3.665 3.068 4.288 . 0 0 "[ . 1 . 2]" 1
826 1 60 PHE H 1 60 PHE HA 2.645 . 3.519 2.870 2.810 2.897 . 0 0 "[ . 1 . 2]" 1
827 1 60 PHE H 1 60 PHE HB3 2.410 . 3.136 2.588 2.342 2.738 . 0 0 "[ . 1 . 2]" 1
828 1 60 PHE H 1 60 PHE QD 3.131 . 4.356 3.080 1.781 4.122 0.125 16 0 "[ . 1 . 2]" 1
829 1 60 PHE H 1 61 THR H 2.859 . 3.881 2.488 2.372 2.684 . 0 0 "[ . 1 . 2]" 1
830 1 60 PHE HA 1 60 PHE QD 2.534 . 3.337 3.313 2.760 3.692 0.355 16 0 "[ . 1 . 2]" 1
831 1 60 PHE HA 1 61 THR H 2.765 . 3.721 3.380 3.277 3.553 . 0 0 "[ . 1 . 2]" 1
832 1 60 PHE HA 1 62 HIS H 3.307 . 4.674 3.155 2.954 3.378 . 0 0 "[ . 1 . 2]" 1
833 1 60 PHE HA 1 63 VAL H 3.539 . 5.105 3.971 3.666 4.368 . 0 0 "[ . 1 . 2]" 1
834 1 60 PHE HA 1 63 VAL QG 2.592 . 3.222 1.959 1.671 2.820 0.081 20 0 "[ . 1 . 2]" 1
835 1 60 PHE HB3 1 60 PHE QD 2.593 . 6.000 2.474 2.337 2.675 . 0 0 "[ . 1 . 2]" 1
836 1 60 PHE HB3 1 61 THR H 3.320 . 4.697 3.590 2.806 4.372 . 0 0 "[ . 1 . 2]" 1
837 1 60 PHE HB3 1 61 THR MG 3.190 . 6.000 4.999 3.500 5.789 . 0 0 "[ . 1 . 2]" 1
838 1 60 PHE QD 1 61 THR H 3.525 . 5.078 3.648 2.629 4.208 . 0 0 "[ . 1 . 2]" 1
839 1 60 PHE QD 1 61 THR MG 4.198 . 6.401 3.410 2.878 3.926 . 0 0 "[ . 1 . 2]" 1
840 1 60 PHE QD 1 63 VAL QG 2.195 . 6.000 3.528 2.888 4.206 . 0 0 "[ . 1 . 2]" 1
841 1 60 PHE QD 1 65 LEU QD 2.691 . 6.000 2.885 1.812 3.843 . 0 0 "[ . 1 . 2]" 1
842 1 61 THR H 1 61 THR HA 2.793 . 3.768 2.771 2.703 2.832 . 0 0 "[ . 1 . 2]" 1
843 1 61 THR H 1 61 THR MG 2.271 . 2.915 2.053 1.897 2.379 . 0 0 "[ . 1 . 2]" 1
844 1 61 THR H 1 62 HIS H 2.632 . 3.498 2.864 2.705 2.953 . 0 0 "[ . 1 . 2]" 1
845 1 61 THR H 1 63 VAL H 3.643 . 5.302 4.718 4.348 4.915 . 0 0 "[ . 1 . 2]" 1
846 1 61 THR HA 1 61 THR HB 2.456 . 3.210 2.441 2.394 2.536 . 0 0 "[ . 1 . 2]" 1
847 1 61 THR HA 1 61 THR MG 2.221 . 6.000 3.072 2.277 3.213 . 0 0 "[ . 1 . 2]" 1
848 1 61 THR HA 1 62 HIS H 3.066 . 4.241 3.434 3.211 3.536 . 0 0 "[ . 1 . 2]" 1
849 1 61 THR HB 1 61 THR MG 2.098 . 2.648 2.123 2.092 2.135 . 0 0 "[ . 1 . 2]" 1
850 1 61 THR MG 1 62 HIS HE1 4.112 . 6.225 4.368 3.672 5.693 . 0 0 "[ . 1 . 2]" 1
851 1 62 HIS H 1 62 HIS HA 2.752 . 3.698 2.927 2.867 2.959 . 0 0 "[ . 1 . 2]" 1
852 1 62 HIS H 1 62 HIS HB2 2.807 . 3.792 3.819 3.758 3.917 0.125 18 0 "[ . 1 . 2]" 1
853 1 62 HIS H 1 62 HIS HB3 2.518 . 3.311 3.335 3.180 3.462 0.151 18 0 "[ . 1 . 2]" 1
854 1 62 HIS H 1 63 VAL H 2.363 . 3.061 2.634 2.257 3.005 . 0 0 "[ . 1 . 2]" 1
855 1 62 HIS HA 1 62 HIS HB2 2.568 . 3.392 2.512 2.463 2.556 . 0 0 "[ . 1 . 2]" 1
856 1 62 HIS HA 1 62 HIS HB3 2.775 . 3.737 2.371 2.292 2.425 . 0 0 "[ . 1 . 2]" 1
857 1 62 HIS HA 1 62 HIS HD2 4.040 . 6.080 4.147 4.051 4.356 . 0 0 "[ . 1 . 2]" 1
858 1 62 HIS HA 1 63 VAL H 3.181 . 4.446 2.764 2.536 2.901 . 0 0 "[ . 1 . 2]" 1
859 1 62 HIS HB2 1 63 VAL QG 2.653 . 6.000 4.308 3.867 4.982 . 0 0 "[ . 1 . 2]" 1
860 1 62 HIS HB3 1 63 VAL H 3.563 . 5.150 4.635 4.578 4.678 . 0 0 "[ . 1 . 2]" 1
861 1 62 HIS HD2 1 63 VAL QG . . 3.209 2.395 1.568 3.394 0.426 7 0 "[ . 1 . 2]" 1
862 1 63 VAL H 1 63 VAL HA 2.974 . 4.079 2.917 2.888 2.944 . 0 0 "[ . 1 . 2]" 1
863 1 63 VAL H 1 63 VAL HB 3.718 . 5.446 3.644 2.847 3.972 . 0 0 "[ . 1 . 2]" 1
864 1 63 VAL H 1 63 VAL QG 2.270 . 3.143 2.406 2.136 3.002 . 0 0 "[ . 1 . 2]" 1
865 1 63 VAL H 1 64 ARG H 3.245 . 4.561 4.360 4.313 4.392 . 0 0 "[ . 1 . 2]" 1
866 1 63 VAL HA 1 63 VAL HB 2.523 . 3.319 2.516 2.373 2.788 . 0 0 "[ . 1 . 2]" 1
867 1 63 VAL HA 1 63 VAL QG 2.330 . 6.000 2.267 2.111 2.431 . 0 0 "[ . 1 . 2]" 1
868 1 63 VAL HA 1 64 ARG H 2.421 . 3.154 2.301 2.181 2.408 . 0 0 "[ . 1 . 2]" 1
869 1 63 VAL HB 1 63 VAL QG 2.152 . 2.731 1.881 1.860 1.893 . 0 0 "[ . 1 . 2]" 1
870 1 63 VAL HB 1 64 ARG H 2.523 . 3.319 2.911 2.155 4.059 0.740 11 6 "[ ** 1+-* * 2]" 1
871 1 63 VAL HB 1 65 LEU QD 2.563 . 6.000 3.339 1.955 4.207 . 0 0 "[ . 1 . 2]" 1
872 1 63 VAL MG1 1 63 VAL MG2 1.949 . 6.000 2.072 1.994 2.101 . 0 0 "[ . 1 . 2]" 1
873 1 63 VAL QG 1 64 ARG H 2.835 . 3.840 2.797 1.819 3.300 0.095 12 0 "[ . 1 . 2]" 1
874 1 63 VAL QG 1 64 ARG HB2 2.255 . 6.000 4.726 4.080 5.134 . 0 0 "[ . 1 . 2]" 1
875 1 63 VAL QG 1 64 ARG HD2 2.811 . 6.000 4.731 3.964 6.424 0.424 2 0 "[ . 1 . 2]" 1
876 1 63 VAL QG 1 65 LEU QB 2.470 . 6.000 3.358 2.492 4.081 . 0 0 "[ . 1 . 2]" 1
877 1 63 VAL QG 1 65 LEU QD 2.431 . 3.170 1.820 1.600 2.423 0.137 12 0 "[ . 1 . 2]" 1
878 1 63 VAL QG 1 65 LEU HG 2.052 . 6.000 3.644 2.267 4.673 . 0 0 "[ . 1 . 2]" 1
879 1 64 ARG H 1 64 ARG HB2 2.581 . 3.414 2.814 2.572 3.202 . 0 0 "[ . 1 . 2]" 1
880 1 64 ARG H 1 65 LEU H 3.317 . 4.692 4.129 4.022 4.179 . 0 0 "[ . 1 . 2]" 1
881 1 64 ARG H 1 65 LEU QD 3.273 . 4.612 3.874 3.095 4.394 . 0 0 "[ . 1 . 2]" 1
882 1 64 ARG HA 1 64 ARG HB2 2.585 . 3.420 2.891 2.397 3.035 . 0 0 "[ . 1 . 2]" 1
883 1 64 ARG HA 1 64 ARG HD2 2.789 . 3.762 2.331 1.802 3.738 0.014 4 0 "[ . 1 . 2]" 1
884 1 64 ARG HA 1 65 LEU H 2.513 . 3.302 2.193 2.111 2.243 . 0 0 "[ . 1 . 2]" 1
885 1 64 ARG HB2 1 64 ARG HD2 2.739 . 3.677 3.565 2.867 3.754 0.077 10 0 "[ . 1 . 2]" 1
886 1 65 LEU H 1 65 LEU QB 2.525 . 3.322 2.781 1.947 3.105 . 0 0 "[ . 1 . 2]" 1
887 1 65 LEU H 1 65 LEU QD 3.123 . 4.342 2.201 1.487 3.459 0.417 8 0 "[ . 1 . 2]" 1
888 1 65 LEU H 1 65 LEU HG 2.594 . 3.435 2.978 1.826 4.369 0.934 4 4 "[ +.* - *. 2]" 1
889 1 65 LEU H 1 66 LEU H 3.988 . 5.976 4.425 4.324 4.529 . 0 0 "[ . 1 . 2]" 1
890 1 65 LEU H 1 66 LEU QD 3.708 . 5.427 4.597 4.213 4.872 . 0 0 "[ . 1 . 2]" 1
891 1 65 LEU HA 1 65 LEU QB 2.328 . 3.006 2.195 2.091 2.458 . 0 0 "[ . 1 . 2]" 1
892 1 65 LEU HA 1 65 LEU QD 2.197 . 6.000 2.838 1.877 3.408 . 0 0 "[ . 1 . 2]" 1
893 1 65 LEU HA 1 65 LEU HG 2.943 . 4.026 3.590 2.441 4.210 0.184 3 0 "[ . 1 . 2]" 1
894 1 65 LEU HA 1 66 LEU H 2.202 . 2.808 2.101 2.046 2.184 . 0 0 "[ . 1 . 2]" 1
895 1 65 LEU HA 1 66 LEU QD 2.625 . 3.487 3.183 2.731 3.677 0.190 4 0 "[ . 1 . 2]" 1
896 1 65 LEU QB 1 65 LEU QD 2.307 . 2.972 1.934 1.824 2.069 . 0 0 "[ . 1 . 2]" 1
897 1 65 LEU QB 1 65 LEU HG 2.419 . 2.922 2.331 2.125 2.526 . 0 0 "[ . 1 . 2]" 1
898 1 65 LEU QB 1 66 LEU QD 2.343 . 3.029 2.169 2.096 2.566 . 0 0 "[ . 1 . 2]" 1
899 1 65 LEU MD1 1 65 LEU MD2 1.829 . 6.000 2.078 2.037 2.102 . 0 0 "[ . 1 . 2]" 1
900 1 65 LEU QD 1 66 LEU H 3.152 . 6.000 3.927 2.374 4.455 . 0 0 "[ . 1 . 2]" 1
901 1 66 LEU H 1 66 LEU HB2 2.573 . 3.400 2.562 2.369 2.747 . 0 0 "[ . 1 . 2]" 1
902 1 66 LEU H 1 66 LEU QD 2.958 . 4.051 2.104 1.697 2.796 0.168 3 0 "[ . 1 . 2]" 1
903 1 66 LEU H 1 66 LEU HG 2.317 . 2.988 2.907 2.033 4.173 1.185 11 2 "[ . 1+ -. 2]" 1
904 1 66 LEU H 1 67 ASP H 2.900 . 6.000 4.464 4.387 4.536 . 0 0 "[ . 1 . 2]" 1
905 1 66 LEU H 1 67 ASP HA 3.790 . 6.000 5.049 4.623 5.392 . 0 0 "[ . 1 . 2]" 1
906 1 66 LEU HA 1 66 LEU HB2 2.551 . 3.365 3.013 2.988 3.028 . 0 0 "[ . 1 . 2]" 1
907 1 66 LEU HA 1 66 LEU HB3 2.672 . 3.564 2.413 2.325 2.516 . 0 0 "[ . 1 . 2]" 1
908 1 66 LEU HA 1 66 LEU HB3 2.646 . 3.521 2.279 2.197 2.430 . 0 0 "[ . 1 . 2]" 1
909 1 66 LEU HA 1 66 LEU QD 2.386 . 6.000 2.642 2.127 3.094 . 0 0 "[ . 1 . 2]" 1
910 1 66 LEU HA 1 67 ASP H 2.278 . 2.927 2.266 2.129 2.615 . 0 0 "[ . 1 . 2]" 1
911 1 66 LEU HB2 1 66 LEU QD 2.364 . 3.062 2.207 2.066 2.461 . 0 0 "[ . 1 . 2]" 1
912 1 66 LEU HB2 1 67 ASP H 2.909 . 3.967 3.815 3.012 4.091 0.124 3 0 "[ . 1 . 2]" 1
913 1 66 LEU HB2 1 67 ASP HA 2.748 . 6.000 5.084 4.939 5.299 . 0 0 "[ . 1 . 2]" 1
914 1 66 LEU QD 1 67 ASP H 3.246 . 4.563 3.985 3.580 4.309 . 0 0 "[ . 1 . 2]" 1
915 1 66 LEU HG 1 67 ASP H 3.018 . 6.000 4.817 4.222 5.478 . 0 0 "[ . 1 . 2]" 1
916 1 67 ASP H 1 67 ASP HA 2.780 . 3.746 2.848 2.821 2.875 . 0 0 "[ . 1 . 2]" 1
917 1 67 ASP H 1 67 ASP HB2 2.650 . 3.528 2.641 2.326 3.587 0.059 7 0 "[ . 1 . 2]" 1
918 1 67 ASP H 1 67 ASP HB3 2.714 . 3.635 2.738 2.453 3.585 . 0 0 "[ . 1 . 2]" 1
919 1 67 ASP H 1 68 GLN H 3.038 . 4.192 4.500 4.436 4.537 0.345 11 0 "[ . 1 . 2]" 1
920 1 67 ASP H 1 70 ASN H 3.574 . 5.171 4.735 4.163 5.245 0.074 7 0 "[ . 1 . 2]" 1
921 1 67 ASP HA 1 67 ASP HB2 2.616 . 3.471 2.584 2.438 3.025 . 0 0 "[ . 1 . 2]" 1
922 1 67 ASP HA 1 67 ASP HB3 2.643 . 3.516 2.863 2.350 3.025 . 0 0 "[ . 1 . 2]" 1
923 1 67 ASP HA 1 68 GLN H 2.505 . 3.289 2.197 1.979 2.405 . 0 0 "[ . 1 . 2]" 1
924 1 67 ASP HB3 1 68 GLN H 3.050 . 4.213 3.494 2.266 3.969 . 0 0 "[ . 1 . 2]" 1
925 1 67 ASP HB3 1 68 GLN HB3 2.670 . 6.000 6.117 5.048 6.758 0.758 15 2 "[ . - 1 + 2]" 1
926 1 68 GLN H 1 68 GLN HB2 2.837 . 3.843 3.490 2.274 3.657 . 0 0 "[ . 1 . 2]" 1
927 1 68 GLN H 1 68 GLN HB3 2.734 . 3.668 2.806 2.440 3.566 . 0 0 "[ . 1 . 2]" 1
928 1 68 GLN H 1 68 GLN HB3 2.501 . 3.283 2.417 2.232 3.081 . 0 0 "[ . 1 . 2]" 1
929 1 68 GLN H 1 68 GLN HG3 2.786 . 3.756 3.124 1.881 4.216 0.460 7 0 "[ . 1 . 2]" 1
930 1 68 GLN H 1 69 GLN QG 3.058 . 4.227 3.983 3.616 4.262 0.035 9 0 "[ . 1 . 2]" 1
931 1 68 GLN HA 1 68 GLN HB2 2.593 . 3.433 2.527 2.333 2.996 . 0 0 "[ . 1 . 2]" 1
932 1 68 GLN HA 1 68 GLN HB2 2.322 . 2.996 2.077 2.009 2.187 . 0 0 "[ . 1 . 2]" 1
933 1 68 GLN HA 1 68 GLN HB3 2.870 . 3.899 2.421 2.282 3.015 . 0 0 "[ . 1 . 2]" 1
934 1 68 GLN HA 1 68 GLN HB3 2.420 . 3.152 2.045 1.985 2.156 . 0 0 "[ . 1 . 2]" 1
935 1 68 GLN HA 1 68 GLN HG3 2.351 . 3.042 3.014 2.385 3.244 0.202 19 0 "[ . 1 . 2]" 1
936 1 68 GLN HA 1 69 GLN H 2.365 . 3.064 2.677 2.141 2.767 . 0 0 "[ . 1 . 2]" 1
937 1 68 GLN HB2 1 68 GLN HG3 1.989 . 2.484 2.395 2.208 2.565 0.081 12 0 "[ . 1 . 2]" 1
938 1 68 GLN HB2 1 68 GLN HG3 1.789 . 2.189 1.935 1.866 1.993 . 0 0 "[ . 1 . 2]" 1
939 1 68 GLN QE 1 68 GLN HG2 2.815 . 3.806 2.474 2.145 3.017 . 0 0 "[ . 1 . 2]" 1
940 1 68 GLN QE 1 68 GLN HG3 2.499 . 3.280 2.332 1.976 2.672 . 0 0 "[ . 1 . 2]" 1
941 1 69 GLN H 1 69 GLN QB 2.566 . 3.838 2.685 2.391 3.415 . 0 0 "[ . 1 . 2]" 1
942 1 69 GLN H 1 69 GLN QG 2.896 . 3.944 2.268 1.790 2.853 0.058 19 0 "[ . 1 . 2]" 1
943 1 69 GLN H 1 70 ASN H 2.285 . 2.938 2.342 1.602 2.615 0.030 9 0 "[ . 1 . 2]" 1
944 1 69 GLN HA 1 70 ASN H 2.616 . 3.175 3.390 2.950 3.522 0.347 3 0 "[ . 1 . 2]" 1
945 1 69 GLN QB 1 69 GLN QG 2.068 . 2.603 2.047 1.997 2.083 . 0 0 "[ . 1 . 2]" 1
946 1 69 GLN QB 1 70 ASN H 3.369 . 4.787 3.494 2.607 3.987 . 0 0 "[ . 1 . 2]" 1
947 1 70 ASN H 1 70 ASN HB2 2.892 . 3.937 2.919 2.551 3.488 . 0 0 "[ . 1 . 2]" 1
948 1 70 ASN H 1 70 ASN HB3 2.867 . 3.895 3.465 2.704 4.047 0.152 9 0 "[ . 1 . 2]" 1
949 1 70 ASN HA 1 70 ASN HB2 2.779 . 3.744 2.810 2.447 3.032 . 0 0 "[ . 1 . 2]" 1
950 1 70 ASN HB2 1 70 ASN HD21 3.091 . 4.286 3.150 2.173 3.577 . 0 0 "[ . 1 . 2]" 1
951 1 70 ASN HB3 1 70 ASN HD21 2.808 . 3.794 2.782 2.189 3.514 . 0 0 "[ . 1 . 2]" 1
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