NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626039 |
5n9v   |
34106 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5n9v
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 1094
_Distance_constraint_stats_list.Viol_count 1834
_Distance_constraint_stats_list.Viol_total 12340.083
_Distance_constraint_stats_list.Viol_max 2.316
_Distance_constraint_stats_list.Viol_rms 0.1476
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0282
_Distance_constraint_stats_list.Viol_average_violations_only 0.3364
_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 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 MET 20.205 1.095 6 11 "[ * *+** **** .- *]"
1 4 GLN 7.293 0.813 6 5 "[ *+** 1- . 2]"
1 5 VAL 4.393 0.354 10 0 "[ . 1 . 2]"
1 6 SER 9.084 1.136 3 8 "[ +*. ** 1 - . * **]"
1 7 ILE 24.178 1.766 3 20 [**+**************-**]
1 8 GLU 1.777 0.508 3 1 "[ + . 1 . 2]"
1 9 PHE 0.970 0.198 3 0 "[ . 1 . 2]"
1 10 GLN 1.026 0.164 11 0 "[ . 1 . 2]"
1 11 ASN 1.281 0.994 3 1 "[ + . 1 . 2]"
1 12 GLY 1.027 0.164 11 0 "[ . 1 . 2]"
1 13 GLU 27.110 1.827 13 20 [************+*-*****]
1 14 LYS 42.074 1.827 13 20 [************+*-*****]
1 15 LEU 12.719 1.210 3 4 "[ + . 1 **. - 2]"
1 16 LYS 8.591 1.210 3 8 "[ +*. ** 1 - . * **]"
1 17 PHE 9.395 0.604 3 1 "[ + . 1 . 2]"
1 18 ASN 39.987 1.125 1 20 [+****************-**]
1 19 VAL 61.249 1.125 1 20 [+**************-****]
1 20 GLN 0.532 0.414 12 0 "[ . 1 . 2]"
1 21 PRO 13.691 1.760 3 8 "[ *+ .* 1 ** . - **]"
1 22 SER 44.350 2.148 13 16 "[******- 1 *+*******]"
1 23 HIS 41.144 1.936 3 20 [**+-****************]
1 24 LYS 87.115 2.049 14 20 [*************+***-**]
1 25 ILE 30.002 1.281 3 10 "[ +*** *1*** . **2]"
1 26 LEU 4.029 0.857 17 2 "[ . 1 . +- 2]"
1 27 ASP 15.964 0.858 6 6 "[ .+ 1 * *-**]"
1 28 ILE 8.669 0.463 3 0 "[ . 1 . 2]"
1 29 LYS 15.261 0.757 3 2 "[ + . 1 . - 2]"
1 30 GLU 9.776 0.888 16 5 "[ * 1* .+ *-2]"
1 31 MET 17.458 1.750 3 1 "[ + . 1 . 2]"
1 32 ILE 17.388 1.750 3 1 "[ + . 1 . 2]"
1 33 PHE 23.043 0.991 10 19 "[** ******+*******-**]"
1 34 LYS 14.348 0.361 10 0 "[ . 1 . 2]"
1 35 LYS 2.187 0.662 3 1 "[ + . 1 . 2]"
1 36 THR 22.116 0.991 10 20 [*********+*******-**]
1 37 ASN 3.086 0.642 3 1 "[ + . 1 . 2]"
1 38 ILE 8.434 0.713 9 3 "[ . +* - . 2]"
1 39 ASN 5.299 0.712 3 2 "[ + . -1 . 2]"
1 40 VAL 18.172 0.888 16 7 "[ * * 1* .+-**2]"
1 41 LYS 5.273 0.590 3 1 "[ + . 1 . 2]"
1 42 ASP 5.616 0.712 3 2 "[ + . -1 . 2]"
1 43 GLN 8.537 1.783 3 3 "[ + . - 1 . * 2]"
1 44 SER 0.874 0.351 8 0 "[ . 1 . 2]"
1 45 LEU 0.470 0.425 3 0 "[ . 1 . 2]"
1 46 LYS 40.233 2.316 7 17 "[* ***+***-** ******]"
1 47 PHE 11.207 1.033 3 8 "[* +*.- * * .* * 2]"
1 48 ALA 0.055 0.031 8 0 "[ . 1 . 2]"
1 49 GLY 0.082 0.043 19 0 "[ . 1 . 2]"
1 50 ASN 0.041 0.031 8 0 "[ . 1 . 2]"
1 51 GLU 0.549 0.076 20 0 "[ . 1 . 2]"
1 52 MET 11.402 0.830 3 2 "[ + . - 1 . 2]"
1 53 ILE 2.890 0.694 3 1 "[ + . 1 . 2]"
1 54 ASN 1.882 0.241 19 0 "[ . 1 . 2]"
1 55 GLN 0.782 0.604 3 1 "[ + . 1 . 2]"
1 56 LYS 28.001 0.998 3 11 "[ *+ . * *1 **** ***2]"
1 57 THR 177.258 2.148 13 20 [*******-****+*******]
1 58 LEU 86.677 2.061 6 20 [**-**+**************]
1 59 SER 30.614 1.760 3 14 "[ *+*.**- 1*** * ****]"
1 60 ASP 0.426 0.271 7 0 "[ . 1 . 2]"
1 61 TYR 0.784 0.314 3 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 21.655 1.033 3 9 "[* +*.-* * * .* * 2]"
1 64 ILE 4.757 0.405 2 0 "[ . 1 . 2]"
1 65 ASP 1.637 0.600 7 1 "[ . + 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.916 0.204 6 0 "[ . 1 . 2]"
1 69 GLU 1.268 0.204 6 0 "[ . 1 . 2]"
1 70 PHE 3.197 0.249 11 0 "[ . 1 . 2]"
1 71 THR 3.400 0.447 3 0 "[ . 1 . 2]"
1 72 LEU 4.300 0.425 3 0 "[ . 1 . 2]"
1 73 HIS 30.912 2.316 7 18 "[* -***+****** ******]"
1 74 LEU 4.758 1.170 13 1 "[ . 1 + . 2]"
1 75 GLU 4.066 0.325 13 0 "[ . 1 . 2]"
1 76 THR 12.151 0.777 12 6 "[* **- 1 + . * 2]"
1 77 LYS 11.939 1.048 4 7 "[* *+- 1 * . * *2]"
1 78 LEU 12.273 1.783 3 4 "[ + . - 1 * . * 2]"
1 79 ASP 0.016 0.016 10 0 "[ . 1 . 2]"
1 80 LEU 0.019 0.019 20 0 "[ . 1 . 2]"
1 81 MET 0.019 0.019 20 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 HIS QB 1 3 MET H . . 3.950 2.750 2.260 3.483 . 0 0 "[ . 1 . 2]" 1
2 1 3 MET H 1 3 MET HB2 . . 4.040 3.499 2.276 4.032 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET QB . . 3.500 2.810 2.250 3.391 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 3 MET HB3 . . 4.040 3.177 2.522 3.900 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET H 1 3 MET HG2 . . 5.040 2.891 1.990 4.195 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET H 1 3 MET QG . . 4.330 2.574 1.967 3.519 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET HG3 . . 5.040 3.435 2.523 4.393 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET HA 1 3 MET HG2 . . 4.050 3.674 2.362 4.260 0.210 10 0 "[ . 1 . 2]" 1
9 1 3 MET HA 1 3 MET HG3 . . 4.050 3.633 2.364 4.258 0.208 16 0 "[ . 1 . 2]" 1
10 1 3 MET HA 1 4 GLN H . . 3.060 2.238 2.077 2.527 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET QB 1 19 VAL H . . 4.440 4.443 2.849 5.218 0.778 10 4 "[ . + -* . *]" 1
12 1 3 MET QB 1 19 VAL QG . . 4.110 2.937 1.980 3.832 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET ME 1 3 MET QG . . 2.760 2.364 2.176 2.483 . 0 0 "[ . 1 . 2]" 1
14 1 3 MET ME 1 19 VAL QG . . 4.050 4.170 2.183 5.145 1.095 6 6 "[ * *+* 1 * .- 2]" 1
15 1 3 MET QG 1 4 GLN H . . 3.790 4.082 3.277 4.603 0.813 6 5 "[ *+** 1- . 2]" 1
16 1 3 MET HG2 1 19 VAL QG . . 4.410 3.267 2.175 4.071 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HG3 1 19 VAL QG . . 4.410 2.781 2.022 4.132 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLN H 1 4 GLN QB . . 3.260 2.683 2.445 2.934 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLN H 1 4 GLN QG . . 4.290 3.182 2.791 3.612 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN H 1 5 VAL QG . . 4.320 4.138 3.731 4.674 0.354 10 0 "[ . 1 . 2]" 1
21 1 4 GLN HA 1 4 GLN QG . . 3.690 2.437 2.277 2.565 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLN HA 1 5 VAL H . . 2.940 2.290 2.097 2.412 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLN HA 1 19 VAL QG . . 4.190 2.826 2.210 3.361 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLN QB 1 5 VAL H . . 3.780 2.574 2.275 3.033 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLN QG 1 5 VAL H . . 4.700 3.886 3.446 4.137 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLN HG2 1 5 VAL H . . 5.500 4.084 3.567 4.411 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLN HG3 1 5 VAL H . . 5.500 4.916 4.239 5.233 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL H 1 5 VAL HB . . 3.940 3.966 3.810 4.006 0.066 11 0 "[ . 1 . 2]" 1
29 1 5 VAL H 1 5 VAL QG . . 3.320 2.418 2.157 2.491 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL HA 1 5 VAL MG1 . . 3.700 2.499 2.449 2.589 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL HA 1 5 VAL MG2 . . 3.700 3.242 3.205 3.261 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL HA 1 6 SER H . . 3.240 2.280 2.116 2.482 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL HA 1 6 SER HA . . 4.480 4.449 4.340 4.567 0.087 3 0 "[ . 1 . 2]" 1
34 1 5 VAL HA 1 6 SER QB . . 4.290 3.946 3.585 4.170 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HA 1 70 PHE H . . 4.640 3.580 2.613 4.399 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL HB 1 6 SER H . . 3.700 2.559 2.343 3.008 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL HB 1 7 ILE MD . . 4.150 3.899 3.597 4.169 0.019 9 0 "[ . 1 . 2]" 1
38 1 5 VAL HB 1 70 PHE QD . . 5.290 5.272 3.460 5.539 0.249 11 0 "[ . 1 . 2]" 1
39 1 5 VAL HB 1 71 THR HA . . 5.450 4.515 4.058 5.033 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL HB 1 72 LEU QD . . 3.870 2.276 2.077 2.618 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL QG 1 6 SER H . . 3.560 3.175 2.990 3.446 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL QG 1 6 SER HA . . 5.230 3.790 3.449 4.039 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL QG 1 7 ILE MD . . 2.800 2.680 2.556 2.928 0.128 7 0 "[ . 1 . 2]" 1
44 1 5 VAL QG 1 63 ILE MG . . 3.620 2.261 2.019 2.535 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL QG 1 70 PHE H . . 5.100 3.839 2.990 4.794 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL QG 1 70 PHE QB . . 4.600 2.740 2.295 4.148 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL QG 1 70 PHE QD . . 4.980 3.912 2.660 4.439 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL QG 1 71 THR HA . . 5.440 4.806 4.420 5.154 . 0 0 "[ . 1 . 2]" 1
49 1 5 VAL MG1 1 6 SER H . . 4.150 3.891 3.817 4.032 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL MG1 1 63 ILE MG . . 4.770 2.275 2.027 2.557 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL MG2 1 6 SER H . . 4.150 3.370 3.124 3.741 . 0 0 "[ . 1 . 2]" 1
52 1 5 VAL MG2 1 63 ILE MG . . 4.770 3.944 3.658 4.204 . 0 0 "[ . 1 . 2]" 1
53 1 6 SER H 1 6 SER QB . . 3.650 2.431 2.240 2.618 . 0 0 "[ . 1 . 2]" 1
54 1 6 SER H 1 7 ILE H . . 4.790 4.461 4.269 4.569 . 0 0 "[ . 1 . 2]" 1
55 1 6 SER H 1 70 PHE QB . . 4.570 3.943 3.552 4.735 0.165 18 0 "[ . 1 . 2]" 1
56 1 6 SER H 1 71 THR HA . . 3.910 2.882 2.576 3.099 . 0 0 "[ . 1 . 2]" 1
57 1 6 SER H 1 72 LEU H . . 4.550 3.848 3.588 4.203 . 0 0 "[ . 1 . 2]" 1
58 1 6 SER HA 1 7 ILE H . . 3.190 2.211 2.167 2.271 . 0 0 "[ . 1 . 2]" 1
59 1 6 SER HA 1 7 ILE HB . . 4.870 4.712 4.569 4.814 . 0 0 "[ . 1 . 2]" 1
60 1 6 SER HA 1 7 ILE MD . . 4.870 4.267 4.108 4.569 . 0 0 "[ . 1 . 2]" 1
61 1 6 SER HA 1 7 ILE HG12 . . 4.350 3.724 3.498 3.899 . 0 0 "[ . 1 . 2]" 1
62 1 6 SER HA 1 15 LEU H . . 4.930 4.488 4.065 4.955 0.025 3 0 "[ . 1 . 2]" 1
63 1 6 SER HA 1 16 LYS QD . . 4.520 4.523 2.609 5.385 0.865 4 7 "[ +. ** 1 - . * **]" 1
64 1 6 SER HA 1 16 LYS QE . . 5.500 4.568 3.975 5.328 . 0 0 "[ . 1 . 2]" 1
65 1 6 SER HA 1 16 LYS QG . . 4.550 3.207 2.523 4.602 0.052 3 0 "[ . 1 . 2]" 1
66 1 6 SER HA 1 71 THR MG . . 5.500 4.373 3.976 4.820 . 0 0 "[ . 1 . 2]" 1
67 1 6 SER QB 1 7 ILE H . . 4.280 3.419 2.828 3.841 . 0 0 "[ . 1 . 2]" 1
68 1 6 SER QB 1 7 ILE MD . . 5.060 4.798 4.661 4.941 . 0 0 "[ . 1 . 2]" 1
69 1 6 SER QB 1 14 LYS QB . . 4.800 3.544 2.681 4.104 . 0 0 "[ . 1 . 2]" 1
70 1 6 SER QB 1 14 LYS QD . . 4.120 2.901 2.244 4.890 0.770 3 1 "[ + . 1 . 2]" 1
71 1 6 SER QB 1 14 LYS QE . . 5.110 4.291 3.345 6.246 1.136 3 1 "[ + . 1 . 2]" 1
72 1 6 SER QB 1 16 LYS QG . . 4.820 3.362 2.296 4.322 . 0 0 "[ . 1 . 2]" 1
73 1 6 SER QB 1 71 THR HA . . 3.920 2.514 2.275 2.834 . 0 0 "[ . 1 . 2]" 1
74 1 6 SER QB 1 71 THR HB . . 4.840 4.269 3.945 4.696 . 0 0 "[ . 1 . 2]" 1
75 1 6 SER QB 1 71 THR MG . . 4.290 2.272 2.057 2.674 . 0 0 "[ . 1 . 2]" 1
76 1 6 SER QB 1 72 LEU H . . 5.260 3.812 3.620 4.027 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE H 1 7 ILE HB . . 3.460 2.669 2.615 2.779 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE H 1 7 ILE MD . . 4.310 3.587 3.260 3.825 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE H 1 7 ILE HG12 . . 3.860 2.691 2.352 2.919 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE H 1 7 ILE HG13 . . 4.360 4.067 3.816 4.260 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE H 1 7 ILE MG . . 4.400 3.903 3.848 3.954 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE H 1 8 GLU H . . 4.800 4.356 4.253 4.458 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE H 1 15 LEU H . . 3.670 2.830 2.629 3.192 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE H 1 15 LEU HB2 . . 4.820 3.500 3.164 3.602 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE H 1 17 PHE QD . . 5.500 3.807 3.435 4.132 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE H 1 17 PHE QE . . 5.500 4.455 3.728 4.812 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE HA 1 7 ILE MD . . 3.710 2.321 2.283 2.363 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE HA 1 7 ILE MG . . 3.530 2.338 2.250 2.376 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE HA 1 8 GLU H . . 3.160 2.177 2.135 2.226 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE HA 1 45 LEU QD . . 4.320 3.914 3.607 4.273 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE HA 1 71 THR MG . . 4.590 3.542 3.064 4.160 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE HA 1 72 LEU H . . 4.060 2.968 2.782 3.148 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE HA 1 72 LEU HB2 . . 4.090 2.978 2.449 3.354 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE HB 1 8 GLU H . . 4.350 4.259 4.162 4.341 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE HB 1 14 LYS HA . . 4.880 4.654 4.454 4.982 0.102 3 0 "[ . 1 . 2]" 1
96 1 7 ILE HB 1 14 LYS QB . . 4.560 5.247 4.912 6.326 1.766 3 19 "[**+******-*** ******]" 1
97 1 7 ILE HB 1 15 LEU H . . 3.720 3.201 3.015 3.418 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE HB 1 15 LEU HB2 . . 4.000 2.621 2.366 2.915 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE HB 1 15 LEU HB3 . . 5.080 4.283 3.831 4.578 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE HB 1 15 LEU QD . . 5.330 3.586 3.286 3.831 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE HB 1 15 LEU HG . . 4.710 4.200 3.671 5.633 0.923 3 1 "[ + . 1 . 2]" 1
102 1 7 ILE HB 1 17 PHE QE . . 4.610 3.207 2.629 3.550 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE HB 1 32 ILE MD . . 5.500 4.318 4.115 4.679 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE HB 1 45 LEU QD . . 5.170 4.560 4.340 4.744 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE MD 1 7 ILE MG . . 3.050 2.179 2.152 2.206 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE MD 1 8 GLU H . . 4.170 4.082 4.023 4.180 0.010 15 0 "[ . 1 . 2]" 1
107 1 7 ILE MD 1 17 PHE QD . . 4.600 3.691 3.509 3.918 . 0 0 "[ . 1 . 2]" 1
108 1 7 ILE MD 1 32 ILE MD . . 3.540 2.524 2.298 2.684 . 0 0 "[ . 1 . 2]" 1
109 1 7 ILE MD 1 72 LEU H . . 4.430 3.312 3.020 3.736 . 0 0 "[ . 1 . 2]" 1
110 1 7 ILE MD 1 72 LEU HB2 . . 3.290 2.213 2.123 2.375 . 0 0 "[ . 1 . 2]" 1
111 1 7 ILE HG12 1 7 ILE MG . . 3.220 3.240 3.234 3.252 0.032 5 0 "[ . 1 . 2]" 1
112 1 7 ILE HG12 1 15 LEU H . . 4.360 4.731 4.404 5.145 0.785 3 4 "[ + . 1 **. - 2]" 1
113 1 7 ILE HG12 1 17 PHE HB2 . . 5.500 4.059 3.646 4.430 . 0 0 "[ . 1 . 2]" 1
114 1 7 ILE HG12 1 17 PHE QD . . 4.370 2.394 2.261 2.539 . 0 0 "[ . 1 . 2]" 1
115 1 7 ILE HG12 1 17 PHE QE . . 4.930 3.166 2.765 3.619 . 0 0 "[ . 1 . 2]" 1
116 1 7 ILE HG12 1 32 ILE HG12 . . 5.020 4.468 3.950 4.854 . 0 0 "[ . 1 . 2]" 1
117 1 7 ILE HG13 1 7 ILE MG . . 3.620 2.339 2.315 2.359 . 0 0 "[ . 1 . 2]" 1
118 1 7 ILE HG13 1 17 PHE QD . . 4.380 3.289 2.987 3.639 . 0 0 "[ . 1 . 2]" 1
119 1 7 ILE HG13 1 17 PHE QE . . 4.740 2.928 2.650 3.363 . 0 0 "[ . 1 . 2]" 1
120 1 7 ILE HG13 1 32 ILE MD . . 3.780 2.539 2.279 3.004 . 0 0 "[ . 1 . 2]" 1
121 1 7 ILE HG13 1 32 ILE HG12 . . 3.650 2.903 2.611 3.205 . 0 0 "[ . 1 . 2]" 1
122 1 7 ILE MG 1 8 GLU H . . 3.740 2.903 2.721 3.078 . 0 0 "[ . 1 . 2]" 1
123 1 7 ILE MG 1 9 PHE HA . . 4.380 4.290 3.999 4.474 0.094 5 0 "[ . 1 . 2]" 1
124 1 7 ILE MG 1 9 PHE QE . . 4.890 3.002 2.484 4.668 . 0 0 "[ . 1 . 2]" 1
125 1 7 ILE MG 1 17 PHE QD . . 5.500 4.855 4.689 5.146 . 0 0 "[ . 1 . 2]" 1
126 1 7 ILE MG 1 17 PHE QE . . 5.500 4.060 3.801 4.397 . 0 0 "[ . 1 . 2]" 1
127 1 7 ILE MG 1 32 ILE MD . . 3.280 2.675 2.363 2.959 . 0 0 "[ . 1 . 2]" 1
128 1 7 ILE MG 1 32 ILE HG12 . . 4.600 3.366 2.890 3.879 . 0 0 "[ . 1 . 2]" 1
129 1 7 ILE MG 1 32 ILE HG13 . . 4.800 4.511 4.006 5.060 0.260 10 0 "[ . 1 . 2]" 1
130 1 7 ILE MG 1 45 LEU QD . . 3.300 2.291 2.095 2.477 . 0 0 "[ . 1 . 2]" 1
131 1 7 ILE MG 1 72 LEU H . . 4.610 4.582 4.396 4.803 0.193 3 0 "[ . 1 . 2]" 1
132 1 7 ILE MG 1 72 LEU HB2 . . 4.520 3.427 3.120 4.028 . 0 0 "[ . 1 . 2]" 1
133 1 7 ILE MG 1 74 LEU H . . 5.050 3.672 3.147 4.089 . 0 0 "[ . 1 . 2]" 1
134 1 7 ILE MG 1 74 LEU HB2 . . 3.730 2.826 2.216 3.545 . 0 0 "[ . 1 . 2]" 1
135 1 8 GLU H 1 8 GLU HB2 . . 3.510 2.639 2.458 2.811 . 0 0 "[ . 1 . 2]" 1
136 1 8 GLU H 1 8 GLU HB3 . . 3.510 2.624 2.499 2.786 . 0 0 "[ . 1 . 2]" 1
137 1 8 GLU H 1 8 GLU HG3 . . 4.830 4.580 4.395 4.746 . 0 0 "[ . 1 . 2]" 1
138 1 8 GLU H 1 14 LYS HG2 . . 4.520 4.052 3.589 4.867 0.347 3 0 "[ . 1 . 2]" 1
139 1 8 GLU H 1 71 THR HA . . 5.160 5.022 4.817 5.176 0.016 6 0 "[ . 1 . 2]" 1
140 1 8 GLU H 1 71 THR MG . . 3.900 3.049 2.680 3.381 . 0 0 "[ . 1 . 2]" 1
141 1 8 GLU H 1 73 HIS H . . 5.500 4.849 4.575 5.227 . 0 0 "[ . 1 . 2]" 1
142 1 8 GLU H 1 74 LEU H . . 4.970 3.657 3.319 4.144 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLU HA 1 8 GLU HG2 . . 3.930 2.611 2.249 2.974 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLU HA 1 9 PHE H . . 3.120 2.083 2.045 2.136 . 0 0 "[ . 1 . 2]" 1
145 1 8 GLU HA 1 9 PHE HB2 . . 4.680 4.299 4.211 4.515 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLU HA 1 9 PHE QD . . 4.720 3.276 2.994 4.261 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLU HA 1 14 LYS HA . . 3.610 2.663 2.433 2.918 . 0 0 "[ . 1 . 2]" 1
148 1 8 GLU HA 1 14 LYS QB . . 4.890 3.853 3.372 4.271 . 0 0 "[ . 1 . 2]" 1
149 1 8 GLU HA 1 14 LYS HG2 . . 4.050 2.169 2.001 3.018 . 0 0 "[ . 1 . 2]" 1
150 1 8 GLU HA 1 14 LYS HG3 . . 4.500 3.134 2.498 3.874 . 0 0 "[ . 1 . 2]" 1
151 1 8 GLU QB 1 9 PHE H . . 4.020 3.784 3.689 3.841 . 0 0 "[ . 1 . 2]" 1
152 1 8 GLU QB 1 71 THR MG . . 3.300 2.168 1.927 2.580 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLU QB 1 73 HIS HA . . 4.020 2.683 2.375 3.032 . 0 0 "[ . 1 . 2]" 1
154 1 8 GLU QB 1 73 HIS HD2 . . 5.100 4.260 2.278 5.608 0.508 3 1 "[ + . 1 . 2]" 1
155 1 8 GLU QB 1 74 LEU H . . 4.510 3.645 3.347 3.983 . 0 0 "[ . 1 . 2]" 1
156 1 8 GLU HG2 1 9 PHE H . . 3.970 2.839 2.443 3.376 . 0 0 "[ . 1 . 2]" 1
157 1 8 GLU HG2 1 9 PHE HA . . 4.800 4.700 4.296 4.846 0.046 19 0 "[ . 1 . 2]" 1
158 1 8 GLU HG2 1 12 GLY H . . 4.750 4.170 3.436 4.766 0.016 13 0 "[ . 1 . 2]" 1
159 1 8 GLU HG2 1 12 GLY HA2 . . 4.540 3.047 2.342 4.096 . 0 0 "[ . 1 . 2]" 1
160 1 8 GLU HG2 1 14 LYS HG2 . . 4.610 3.607 2.437 4.392 . 0 0 "[ . 1 . 2]" 1
161 1 8 GLU HG2 1 14 LYS HG3 . . 4.450 3.662 2.940 4.362 . 0 0 "[ . 1 . 2]" 1
162 1 8 GLU HG3 1 12 GLY HA2 . . 5.010 3.890 3.088 5.001 . 0 0 "[ . 1 . 2]" 1
163 1 8 GLU HG3 1 14 LYS QB . . 5.500 4.522 4.249 4.932 . 0 0 "[ . 1 . 2]" 1
164 1 8 GLU HG3 1 14 LYS QD . . 4.170 2.657 2.246 3.579 . 0 0 "[ . 1 . 2]" 1
165 1 8 GLU HG3 1 71 THR MG . . 3.800 3.542 3.209 4.247 0.447 3 0 "[ . 1 . 2]" 1
166 1 9 PHE H 1 9 PHE HB2 . . 3.180 2.317 2.250 2.449 . 0 0 "[ . 1 . 2]" 1
167 1 9 PHE H 1 9 PHE HB3 . . 3.910 3.565 3.516 3.646 . 0 0 "[ . 1 . 2]" 1
168 1 9 PHE H 1 9 PHE QD . . 3.770 2.436 2.226 2.777 . 0 0 "[ . 1 . 2]" 1
169 1 9 PHE H 1 14 LYS HA . . 4.110 3.346 3.143 3.679 . 0 0 "[ . 1 . 2]" 1
170 1 9 PHE H 1 14 LYS HG2 . . 4.390 3.840 3.370 4.588 0.198 3 0 "[ . 1 . 2]" 1
171 1 9 PHE HA 1 74 LEU HB2 . . 4.330 3.322 2.688 3.968 . 0 0 "[ . 1 . 2]" 1
172 1 9 PHE HA 1 74 LEU HB3 . . 4.110 2.676 2.391 3.324 . 0 0 "[ . 1 . 2]" 1
173 1 9 PHE HA 1 74 LEU QD . . 4.490 2.713 2.192 3.378 . 0 0 "[ . 1 . 2]" 1
174 1 9 PHE HB2 1 10 GLN H . . 4.630 3.810 3.586 4.086 . 0 0 "[ . 1 . 2]" 1
175 1 9 PHE HB2 1 12 GLY H . . 4.230 3.823 3.461 4.247 0.017 15 0 "[ . 1 . 2]" 1
176 1 9 PHE HB2 1 13 GLU H . . 3.700 3.135 2.405 3.568 . 0 0 "[ . 1 . 2]" 1
177 1 9 PHE HB2 1 13 GLU QB . . 4.280 3.042 2.315 3.733 . 0 0 "[ . 1 . 2]" 1
178 1 9 PHE HB3 1 10 GLN H . . 4.080 2.436 2.173 2.816 . 0 0 "[ . 1 . 2]" 1
179 1 9 PHE HB3 1 10 GLN QB . . 4.690 4.074 3.547 4.506 . 0 0 "[ . 1 . 2]" 1
180 1 9 PHE HB3 1 11 ASN H . . 3.940 2.818 2.290 3.339 . 0 0 "[ . 1 . 2]" 1
181 1 9 PHE HB3 1 13 GLU H . . 4.540 4.227 3.478 4.568 0.028 20 0 "[ . 1 . 2]" 1
182 1 9 PHE HB3 1 13 GLU QB . . 4.870 4.260 3.658 4.904 0.034 15 0 "[ . 1 . 2]" 1
183 1 9 PHE QD 1 14 LYS HA . . 4.570 3.087 2.650 4.187 . 0 0 "[ . 1 . 2]" 1
184 1 9 PHE QD 1 15 LEU H . . 4.970 3.654 3.191 4.772 . 0 0 "[ . 1 . 2]" 1
185 1 9 PHE QE 1 15 LEU H . . 5.320 3.590 2.817 4.529 . 0 0 "[ . 1 . 2]" 1
186 1 9 PHE QE 1 15 LEU QD . . 4.720 2.499 2.168 2.668 . 0 0 "[ . 1 . 2]" 1
187 1 10 GLN H 1 10 GLN QB . . 3.670 2.304 2.076 2.621 . 0 0 "[ . 1 . 2]" 1
188 1 10 GLN H 1 10 GLN QG . . 4.330 3.368 2.031 4.053 . 0 0 "[ . 1 . 2]" 1
189 1 10 GLN HA 1 10 GLN HG2 . . 4.230 3.243 2.286 3.881 . 0 0 "[ . 1 . 2]" 1
190 1 10 GLN HA 1 10 GLN QG . . 3.580 2.636 2.224 3.559 . 0 0 "[ . 1 . 2]" 1
191 1 10 GLN HA 1 10 GLN HG3 . . 4.230 2.997 2.252 4.254 0.024 11 0 "[ . 1 . 2]" 1
192 1 10 GLN HA 1 12 GLY H . . 4.390 3.610 3.383 4.005 . 0 0 "[ . 1 . 2]" 1
193 1 10 GLN QB 1 11 ASN H . . 4.190 2.883 2.498 3.680 . 0 0 "[ . 1 . 2]" 1
194 1 10 GLN QB 1 11 ASN QB . . 4.440 4.117 3.701 4.475 0.035 11 0 "[ . 1 . 2]" 1
195 1 10 GLN QB 1 12 GLY H . . 4.540 4.562 4.331 4.704 0.164 11 0 "[ . 1 . 2]" 1
196 1 11 ASN HA 1 12 GLY HA3 . . 4.640 4.531 4.385 4.645 0.005 8 0 "[ . 1 . 2]" 1
197 1 11 ASN QD 1 13 GLU H . . 4.600 3.826 3.031 4.373 . 0 0 "[ . 1 . 2]" 1
198 1 11 ASN QD 1 13 GLU QB . . 3.930 3.281 2.259 4.924 0.994 3 1 "[ + . 1 . 2]" 1
199 1 11 ASN QD 1 13 GLU QG . . 3.780 2.828 2.383 3.722 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLY H 1 13 GLU H . . 3.350 2.795 2.523 3.120 . 0 0 "[ . 1 . 2]" 1
201 1 12 GLY H 1 13 GLU QB . . 5.010 4.814 4.474 5.061 0.051 3 0 "[ . 1 . 2]" 1
202 1 13 GLU H 1 13 GLU QB . . 3.000 2.450 2.316 2.748 . 0 0 "[ . 1 . 2]" 1
203 1 13 GLU H 1 13 GLU HG2 . . 4.160 2.728 1.961 4.188 0.028 11 0 "[ . 1 . 2]" 1
204 1 13 GLU H 1 13 GLU HG3 . . 4.160 3.492 2.351 4.174 0.014 15 0 "[ . 1 . 2]" 1
205 1 13 GLU HA 1 13 GLU HG2 . . 3.950 3.055 2.343 3.538 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLU HA 1 13 GLU QG . . 3.410 2.861 2.280 3.311 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLU HA 1 13 GLU HG3 . . 3.950 3.608 2.309 3.985 0.035 3 0 "[ . 1 . 2]" 1
208 1 13 GLU HA 1 14 LYS H . . 2.870 2.339 2.199 2.458 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLU HA 1 14 LYS QB . . 4.690 4.263 3.972 4.529 . 0 0 "[ . 1 . 2]" 1
210 1 13 GLU HA 1 14 LYS HG2 . . 5.310 5.123 4.271 5.378 0.068 20 0 "[ . 1 . 2]" 1
211 1 13 GLU QB 1 14 LYS H . . 3.310 2.597 2.375 2.853 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLU QB 1 14 LYS QE . . 4.590 5.859 5.125 6.417 1.827 13 20 [************+*-*****] 1
213 1 13 GLU QG 1 14 LYS H . . 4.720 4.293 3.725 4.728 0.008 3 0 "[ . 1 . 2]" 1
214 1 14 LYS H 1 14 LYS QB . . 3.180 2.618 2.428 2.792 . 0 0 "[ . 1 . 2]" 1
215 1 14 LYS H 1 14 LYS HG2 . . 4.670 4.198 3.710 4.483 . 0 0 "[ . 1 . 2]" 1
216 1 14 LYS H 1 14 LYS HG3 . . 3.870 3.287 2.985 3.552 . 0 0 "[ . 1 . 2]" 1
217 1 14 LYS HA 1 14 LYS HG2 . . 3.950 2.425 2.246 2.578 . 0 0 "[ . 1 . 2]" 1
218 1 14 LYS HA 1 14 LYS HG3 . . 4.150 2.935 2.621 3.476 . 0 0 "[ . 1 . 2]" 1
219 1 14 LYS HA 1 15 LEU H . . 2.940 2.154 2.034 2.232 . 0 0 "[ . 1 . 2]" 1
220 1 14 LYS QB 1 14 LYS QE . . 3.340 2.184 2.010 2.531 . 0 0 "[ . 1 . 2]" 1
221 1 14 LYS QB 1 15 LEU H . . 4.070 2.805 2.480 3.778 . 0 0 "[ . 1 . 2]" 1
222 1 14 LYS QE 1 14 LYS HG3 . . 3.630 2.470 2.276 2.934 . 0 0 "[ . 1 . 2]" 1
223 1 15 LEU H 1 15 LEU HB2 . . 4.070 2.601 2.302 2.705 . 0 0 "[ . 1 . 2]" 1
224 1 15 LEU H 1 15 LEU QD . . 4.160 3.443 2.441 3.697 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU H 1 15 LEU HG . . 3.540 3.084 2.645 4.054 0.514 3 1 "[ + . 1 . 2]" 1
226 1 15 LEU H 1 17 PHE QE . . 4.960 4.755 4.273 5.123 0.163 3 0 "[ . 1 . 2]" 1
227 1 15 LEU HA 1 15 LEU QD . . 3.250 2.203 2.124 2.659 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU HA 1 15 LEU HG . . 4.130 3.237 2.461 3.387 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU HA 1 16 LYS H . . 3.120 2.230 2.127 2.338 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU HA 1 16 LYS QB . . 4.680 4.375 4.008 4.549 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU HA 1 16 LYS QG . . 4.720 4.222 3.452 5.930 1.210 3 1 "[ + . 1 . 2]" 1
232 1 15 LEU HB2 1 15 LEU QD . . 3.190 2.291 2.154 2.352 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU HB2 1 17 PHE QE . . 4.110 2.356 2.150 2.988 . 0 0 "[ . 1 . 2]" 1
234 1 15 LEU HB3 1 16 LYS H . . 3.390 3.035 2.459 3.483 0.093 3 0 "[ . 1 . 2]" 1
235 1 15 LEU HB3 1 17 PHE QE . . 4.400 2.675 2.422 2.960 . 0 0 "[ . 1 . 2]" 1
236 1 15 LEU QD 1 16 LYS H . . 4.080 3.597 3.344 4.224 0.144 3 0 "[ . 1 . 2]" 1
237 1 15 LEU QD 1 17 PHE QE . . 3.880 2.603 2.357 2.904 . 0 0 "[ . 1 . 2]" 1
238 1 15 LEU QD 1 35 LYS QB . . 3.650 2.809 2.283 3.587 . 0 0 "[ . 1 . 2]" 1
239 1 15 LEU QD 1 35 LYS QD . . 3.810 3.696 2.919 4.472 0.662 3 1 "[ + . 1 . 2]" 1
240 1 15 LEU QD 1 36 THR HA . . 5.500 5.093 4.440 5.922 0.422 4 0 "[ . 1 . 2]" 1
241 1 15 LEU HG 1 17 PHE QE . . 4.550 4.327 4.282 4.511 . 0 0 "[ . 1 . 2]" 1
242 1 16 LYS H 1 16 LYS QB . . 3.000 2.504 2.275 2.773 . 0 0 "[ . 1 . 2]" 1
243 1 16 LYS H 1 16 LYS QG . . 4.140 3.150 2.706 4.105 . 0 0 "[ . 1 . 2]" 1
244 1 16 LYS HA 1 16 LYS QD . . 4.340 3.560 2.102 4.180 . 0 0 "[ . 1 . 2]" 1
245 1 16 LYS HA 1 16 LYS QG . . 3.640 2.389 2.180 2.822 . 0 0 "[ . 1 . 2]" 1
246 1 16 LYS HA 1 17 PHE H . . 3.100 2.136 2.024 2.212 . 0 0 "[ . 1 . 2]" 1
247 1 16 LYS QB 1 16 LYS QE . . 4.410 3.189 1.987 3.898 . 0 0 "[ . 1 . 2]" 1
248 1 16 LYS QB 1 17 PHE H . . 3.440 2.985 2.657 3.689 0.249 3 0 "[ . 1 . 2]" 1
249 1 16 LYS QE 1 16 LYS QG . . 3.480 2.282 2.061 2.882 . 0 0 "[ . 1 . 2]" 1
250 1 16 LYS QG 1 17 PHE H . . 4.350 3.837 2.690 4.366 0.016 5 0 "[ . 1 . 2]" 1
251 1 17 PHE H 1 17 PHE HB2 . . 3.630 2.659 2.448 2.817 . 0 0 "[ . 1 . 2]" 1
252 1 17 PHE H 1 17 PHE QD . . 4.200 3.225 2.997 3.535 . 0 0 "[ . 1 . 2]" 1
253 1 17 PHE HA 1 17 PHE QD . . 3.920 2.904 2.720 3.137 . 0 0 "[ . 1 . 2]" 1
254 1 17 PHE HA 1 18 ASN H . . 3.440 2.181 2.125 2.299 . 0 0 "[ . 1 . 2]" 1
255 1 17 PHE HA 1 18 ASN HA . . 4.780 4.436 4.368 4.506 . 0 0 "[ . 1 . 2]" 1
256 1 17 PHE HB2 1 31 MET QB . . 5.140 5.034 4.539 5.575 0.435 5 0 "[ . 1 . 2]" 1
257 1 17 PHE HB3 1 18 ASN H . . 4.090 3.091 2.644 3.393 . 0 0 "[ . 1 . 2]" 1
258 1 17 PHE HB3 1 18 ASN QB . . 4.870 5.076 4.454 5.366 0.496 13 0 "[ . 1 . 2]" 1
259 1 17 PHE HB3 1 31 MET ME . . 4.320 3.306 2.582 4.924 0.604 3 1 "[ + . 1 . 2]" 1
260 1 17 PHE QD 1 31 MET QB . . 4.620 2.748 2.313 3.394 . 0 0 "[ . 1 . 2]" 1
261 1 17 PHE QE 1 35 LYS QB . . 4.670 3.601 2.552 4.256 . 0 0 "[ . 1 . 2]" 1
262 1 17 PHE QE 1 35 LYS QD . . 4.630 4.301 3.938 5.221 0.591 3 1 "[ + . 1 . 2]" 1
263 1 17 PHE QE 1 35 LYS QG . . 5.070 2.454 2.215 3.293 . 0 0 "[ . 1 . 2]" 1
264 1 17 PHE QE 1 36 THR MG . . 5.020 4.718 4.124 5.175 0.155 3 0 "[ . 1 . 2]" 1
265 1 18 ASN H 1 18 ASN HB2 . . 4.080 3.289 2.371 3.759 . 0 0 "[ . 1 . 2]" 1
266 1 18 ASN H 1 18 ASN QB . . 3.550 2.547 2.140 2.882 . 0 0 "[ . 1 . 2]" 1
267 1 18 ASN H 1 18 ASN HB3 . . 4.080 2.814 2.238 3.713 . 0 0 "[ . 1 . 2]" 1
268 1 18 ASN HA 1 19 VAL H . . 2.910 2.219 2.115 2.306 . 0 0 "[ . 1 . 2]" 1
269 1 18 ASN HA 1 19 VAL HB . . 4.760 5.622 5.448 5.791 1.031 2 20 [*+-*****************] 1
270 1 18 ASN HA 1 19 VAL QG . . 4.470 3.210 2.974 3.484 . 0 0 "[ . 1 . 2]" 1
271 1 18 ASN QB 1 19 VAL H . . 4.060 3.112 2.770 3.872 . 0 0 "[ . 1 . 2]" 1
272 1 18 ASN QB 1 19 VAL HB . . 5.340 6.208 5.898 6.465 1.125 1 20 [+****************-**] 1
273 1 18 ASN HB2 1 19 VAL H . . 4.660 3.420 2.826 4.356 . 0 0 "[ . 1 . 2]" 1
274 1 18 ASN HB3 1 19 VAL H . . 4.660 3.987 2.979 4.448 . 0 0 "[ . 1 . 2]" 1
275 1 19 VAL H 1 19 VAL HB . . 4.070 3.960 3.864 4.039 . 0 0 "[ . 1 . 2]" 1
276 1 19 VAL H 1 19 VAL QG . . 3.250 2.401 2.223 2.533 . 0 0 "[ . 1 . 2]" 1
277 1 19 VAL HA 1 31 MET ME . . 3.920 3.401 2.862 3.923 0.003 13 0 "[ . 1 . 2]" 1
278 1 19 VAL HB 1 20 GLN H . . 4.190 2.443 2.196 2.796 . 0 0 "[ . 1 . 2]" 1
279 1 19 VAL HB 1 23 HIS QB . . 5.500 3.376 2.951 3.953 . 0 0 "[ . 1 . 2]" 1
280 1 19 VAL HB 1 23 HIS HD2 . . 5.500 3.886 2.084 5.274 . 0 0 "[ . 1 . 2]" 1
281 1 19 VAL HB 1 28 ILE MD . . 4.200 3.300 2.863 3.698 . 0 0 "[ . 1 . 2]" 1
282 1 19 VAL HB 1 31 MET ME . . 3.560 3.715 3.184 4.039 0.479 3 0 "[ . 1 . 2]" 1
283 1 19 VAL QG 1 20 GLN H . . 4.220 3.022 2.749 3.356 . 0 0 "[ . 1 . 2]" 1
284 1 19 VAL QG 1 23 HIS H . . 4.520 5.017 4.750 5.430 0.910 19 11 "[* -.** * **** * +2]" 1
285 1 19 VAL QG 1 23 HIS QB . . 4.270 3.761 3.470 4.101 . 0 0 "[ . 1 . 2]" 1
286 1 19 VAL QG 1 23 HIS HD2 . . 5.350 3.818 3.042 4.983 . 0 0 "[ . 1 . 2]" 1
287 1 19 VAL QG 1 28 ILE MD . . 3.120 2.405 2.231 2.720 . 0 0 "[ . 1 . 2]" 1
288 1 19 VAL QG 1 28 ILE QG . . 4.050 3.989 3.693 4.384 0.334 13 0 "[ . 1 . 2]" 1
289 1 19 VAL QG 1 31 MET ME . . 3.250 2.344 2.117 3.247 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLN H 1 20 GLN QB . . 3.670 2.686 2.411 2.871 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLN H 1 20 GLN QG . . 3.770 3.211 2.402 4.184 0.414 12 0 "[ . 1 . 2]" 1
292 1 20 GLN H 1 23 HIS H . . 4.730 3.951 3.509 4.527 . 0 0 "[ . 1 . 2]" 1
293 1 20 GLN H 1 23 HIS QB . . 4.720 3.281 2.795 4.355 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLN HA 1 21 PRO QD . . 3.000 2.058 1.977 2.289 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN QB 1 21 PRO QD . . 3.900 2.505 2.124 3.480 . 0 0 "[ . 1 . 2]" 1
296 1 20 GLN QB 1 22 SER H . . 3.700 2.919 2.418 3.554 . 0 0 "[ . 1 . 2]" 1
297 1 20 GLN QB 1 23 HIS H . . 4.010 3.684 3.160 4.025 0.015 11 0 "[ . 1 . 2]" 1
298 1 20 GLN HB2 1 22 SER H . . 4.330 3.566 3.024 4.430 0.100 12 0 "[ . 1 . 2]" 1
299 1 20 GLN HB3 1 22 SER H . . 4.330 3.134 2.470 3.776 . 0 0 "[ . 1 . 2]" 1
300 1 21 PRO HA 1 58 LEU HB2 . . 4.320 3.544 3.026 3.859 . 0 0 "[ . 1 . 2]" 1
301 1 21 PRO HA 1 58 LEU HB3 . . 4.320 4.317 3.703 4.636 0.316 19 0 "[ . 1 . 2]" 1
302 1 21 PRO HA 1 59 SER HA . . 5.500 5.865 4.079 7.260 1.760 3 8 "[ *+ .* 1 ** . - **]" 1
303 1 21 PRO QB 1 59 SER QB . . 4.040 3.766 2.359 4.687 0.647 3 1 "[ + . 1 . 2]" 1
304 1 21 PRO QD 1 22 SER H . . 3.700 3.107 2.847 3.362 . 0 0 "[ . 1 . 2]" 1
305 1 22 SER H 1 22 SER QB . . 3.510 2.504 2.275 2.729 . 0 0 "[ . 1 . 2]" 1
306 1 22 SER H 1 23 HIS H . . 3.610 2.678 2.237 2.975 . 0 0 "[ . 1 . 2]" 1
307 1 22 SER H 1 23 HIS HA . . 4.860 5.127 4.791 5.398 0.538 7 1 "[ . + 1 . 2]" 1
308 1 22 SER H 1 23 HIS QB . . 5.230 4.620 4.133 4.974 . 0 0 "[ . 1 . 2]" 1
309 1 22 SER HA 1 57 THR HA . . 5.260 6.371 5.271 7.408 2.148 13 15 "[****** 1 *+****-**]" 1
310 1 22 SER HA 1 57 THR MG . . 4.390 5.114 3.729 6.463 2.073 13 12 "[** ** 1 *+***- **]" 1
311 1 23 HIS H 1 23 HIS QB . . 3.110 2.281 2.187 2.394 . 0 0 "[ . 1 . 2]" 1
312 1 23 HIS HA 1 23 HIS HD2 . . 4.650 4.277 3.913 4.709 0.059 3 0 "[ . 1 . 2]" 1
313 1 23 HIS HA 1 24 LYS QB . . 4.420 4.361 4.149 4.490 0.070 3 0 "[ . 1 . 2]" 1
314 1 23 HIS QB 1 24 LYS H . . 4.100 3.019 2.557 3.402 . 0 0 "[ . 1 . 2]" 1
315 1 23 HIS QB 1 24 LYS QB . . 4.670 4.691 4.296 4.933 0.263 13 0 "[ . 1 . 2]" 1
316 1 23 HIS QB 1 28 ILE MD . . 4.310 2.927 2.346 3.500 . 0 0 "[ . 1 . 2]" 1
317 1 23 HIS QB 1 31 MET ME . . 4.740 3.827 3.323 4.119 . 0 0 "[ . 1 . 2]" 1
318 1 23 HIS QB 1 58 LEU MD1 . . 4.340 2.115 1.959 2.388 . 0 0 "[ . 1 . 2]" 1
319 1 23 HIS HD2 1 24 LYS H . . 5.370 5.121 4.558 5.920 0.550 3 1 "[ + . 1 . 2]" 1
320 1 23 HIS HD2 1 24 LYS QB . . 5.500 6.653 5.840 7.436 1.936 3 19 [**+******1******-***] 1
321 1 23 HIS HD2 1 27 ASP QB . . 4.160 2.926 2.187 4.395 0.235 3 0 "[ . 1 . 2]" 1
322 1 23 HIS HD2 1 31 MET ME . . 4.000 2.393 2.117 3.328 . 0 0 "[ . 1 . 2]" 1
323 1 24 LYS H 1 24 LYS QB . . 3.320 2.399 2.293 2.546 . 0 0 "[ . 1 . 2]" 1
324 1 24 LYS H 1 24 LYS QG . . 4.130 2.995 2.368 3.940 . 0 0 "[ . 1 . 2]" 1
325 1 24 LYS H 1 26 LEU H . . 5.500 5.084 4.762 5.255 . 0 0 "[ . 1 . 2]" 1
326 1 24 LYS H 1 27 ASP H . . 5.000 3.415 3.000 3.627 . 0 0 "[ . 1 . 2]" 1
327 1 24 LYS H 1 27 ASP QB . . 3.690 2.536 2.239 2.732 . 0 0 "[ . 1 . 2]" 1
328 1 24 LYS H 1 58 LEU MD1 . . 5.230 4.794 3.459 5.588 0.358 3 0 "[ . 1 . 2]" 1
329 1 24 LYS HA 1 24 LYS QG . . 3.870 2.447 2.227 3.112 . 0 0 "[ . 1 . 2]" 1
330 1 24 LYS HA 1 25 ILE H . . 3.490 2.412 2.313 2.552 . 0 0 "[ . 1 . 2]" 1
331 1 24 LYS HA 1 25 ILE HB . . 4.870 4.961 4.779 5.149 0.279 13 0 "[ . 1 . 2]" 1
332 1 24 LYS HA 1 25 ILE MD . . 4.690 4.091 3.707 4.903 0.213 3 0 "[ . 1 . 2]" 1
333 1 24 LYS HA 1 57 THR HA . . 3.110 2.004 1.933 2.175 . 0 0 "[ . 1 . 2]" 1
334 1 24 LYS HA 1 57 THR HB . . 4.250 3.581 2.878 4.029 . 0 0 "[ . 1 . 2]" 1
335 1 24 LYS HA 1 57 THR MG . . 3.590 4.690 4.336 4.921 1.331 16 20 [*********-*****+****] 1
336 1 24 LYS HA 1 58 LEU H . . 4.760 3.367 2.724 4.000 . 0 0 "[ . 1 . 2]" 1
337 1 24 LYS QB 1 25 ILE H . . 3.650 2.482 2.337 2.650 . 0 0 "[ . 1 . 2]" 1
338 1 24 LYS QB 1 25 ILE MG . . 5.500 5.135 4.953 5.235 . 0 0 "[ . 1 . 2]" 1
339 1 24 LYS QB 1 26 LEU H . . 3.500 2.552 2.108 2.889 . 0 0 "[ . 1 . 2]" 1
340 1 24 LYS QB 1 27 ASP H . . 3.560 2.788 2.026 3.397 . 0 0 "[ . 1 . 2]" 1
341 1 24 LYS QB 1 27 ASP HA . . 4.660 4.865 4.198 5.441 0.781 19 3 "[ .* 1 . +-]" 1
342 1 24 LYS QB 1 27 ASP HB2 . . 4.620 3.765 3.342 4.152 . 0 0 "[ . 1 . 2]" 1
343 1 24 LYS QB 1 27 ASP HB3 . . 4.620 4.937 4.435 5.478 0.858 6 5 "[ .+ 1 * -**]" 1
344 1 24 LYS QB 1 57 THR HA . . 5.500 3.844 3.184 4.219 . 0 0 "[ . 1 . 2]" 1
345 1 24 LYS QE 1 57 THR MG . . 4.590 4.428 3.518 5.999 1.409 3 1 "[ + . 1 . 2]" 1
346 1 24 LYS QG 1 25 ILE H . . 4.330 3.754 3.272 4.398 0.068 14 0 "[ . 1 . 2]" 1
347 1 24 LYS QG 1 57 THR HA . . 4.500 3.129 2.247 4.574 0.074 10 0 "[ . 1 . 2]" 1
348 1 24 LYS QG 1 57 THR MG . . 3.320 4.399 3.999 5.369 2.049 14 20 [*************+**-***] 1
349 1 25 ILE H 1 25 ILE HB . . 3.330 2.556 2.417 2.710 . 0 0 "[ . 1 . 2]" 1
350 1 25 ILE H 1 25 ILE MD . . 3.750 3.160 2.904 3.532 . 0 0 "[ . 1 . 2]" 1
351 1 25 ILE H 1 25 ILE QG . . 3.720 2.176 2.105 2.261 . 0 0 "[ . 1 . 2]" 1
352 1 25 ILE H 1 26 LEU H . . 3.710 2.728 2.590 2.846 . 0 0 "[ . 1 . 2]" 1
353 1 25 ILE H 1 27 ASP H . . 4.880 4.145 4.018 4.288 . 0 0 "[ . 1 . 2]" 1
354 1 25 ILE H 1 54 ASN HA . . 4.440 4.250 4.001 4.444 0.004 19 0 "[ . 1 . 2]" 1
355 1 25 ILE H 1 57 THR HA . . 4.040 3.233 2.836 3.510 . 0 0 "[ . 1 . 2]" 1
356 1 25 ILE H 1 58 LEU HG . . 4.940 5.228 4.353 6.192 1.252 4 6 "[ +*- 1* . **2]" 1
357 1 25 ILE HA 1 25 ILE MD . . 3.260 2.223 2.173 2.328 . 0 0 "[ . 1 . 2]" 1
358 1 25 ILE HA 1 25 ILE MG . . 3.390 2.395 2.295 2.544 . 0 0 "[ . 1 . 2]" 1
359 1 25 ILE HA 1 28 ILE H . . 4.430 3.135 2.917 3.404 . 0 0 "[ . 1 . 2]" 1
360 1 25 ILE HA 1 28 ILE HB . . 4.310 3.118 2.711 3.395 . 0 0 "[ . 1 . 2]" 1
361 1 25 ILE HA 1 28 ILE HG12 . . 4.220 2.318 2.175 2.799 . 0 0 "[ . 1 . 2]" 1
362 1 25 ILE HA 1 28 ILE HG13 . . 4.220 3.045 2.723 3.514 . 0 0 "[ . 1 . 2]" 1
363 1 25 ILE HB 1 26 LEU H . . 3.500 2.981 2.772 3.190 . 0 0 "[ . 1 . 2]" 1
364 1 25 ILE HB 1 54 ASN HA . . 3.200 2.373 2.144 2.712 . 0 0 "[ . 1 . 2]" 1
365 1 25 ILE MD 1 28 ILE QG . . 4.270 2.846 2.536 3.323 . 0 0 "[ . 1 . 2]" 1
366 1 25 ILE MD 1 52 MET QB . . 4.410 3.365 2.496 3.986 . 0 0 "[ . 1 . 2]" 1
367 1 25 ILE MD 1 52 MET ME . . 3.860 2.258 1.995 3.161 . 0 0 "[ . 1 . 2]" 1
368 1 25 ILE MD 1 56 LYS HB2 . . 4.860 4.468 4.037 4.910 0.050 14 0 "[ . 1 . 2]" 1
369 1 25 ILE MD 1 57 THR HA . . 4.600 3.952 3.482 4.821 0.221 3 0 "[ . 1 . 2]" 1
370 1 25 ILE MD 1 58 LEU H . . 3.940 3.688 3.380 4.746 0.806 3 1 "[ + . 1 . 2]" 1
371 1 25 ILE MD 1 58 LEU HA . . 3.970 2.592 2.302 3.393 . 0 0 "[ . 1 . 2]" 1
372 1 25 ILE MD 1 58 LEU QB . . 4.510 4.006 3.756 4.631 0.121 3 0 "[ . 1 . 2]" 1
373 1 25 ILE MD 1 58 LEU HG . . 3.780 2.981 2.530 4.285 0.505 3 1 "[ + . 1 . 2]" 1
374 1 25 ILE MD 1 59 SER H . . 5.010 5.332 5.072 6.291 1.281 3 1 "[ + . 1 . 2]" 1
375 1 25 ILE MD 1 61 TYR QD . . 4.070 2.594 2.311 2.953 . 0 0 "[ . 1 . 2]" 1
376 1 25 ILE MD 1 61 TYR QE . . 4.100 3.761 3.436 4.109 0.009 8 0 "[ . 1 . 2]" 1
377 1 25 ILE MD 1 63 ILE MD . . 4.780 2.291 2.203 2.561 . 0 0 "[ . 1 . 2]" 1
378 1 25 ILE MD 1 63 ILE QG . . 4.230 4.033 3.841 4.093 . 0 0 "[ . 1 . 2]" 1
379 1 25 ILE QG 1 25 ILE MG . . 3.240 2.245 2.200 2.301 . 0 0 "[ . 1 . 2]" 1
380 1 25 ILE QG 1 52 MET QB . . 4.000 2.653 2.366 3.138 . 0 0 "[ . 1 . 2]" 1
381 1 25 ILE QG 1 52 MET QG . . 5.340 4.216 3.893 4.658 . 0 0 "[ . 1 . 2]" 1
382 1 25 ILE QG 1 54 ASN HA . . 4.750 4.111 3.898 4.344 . 0 0 "[ . 1 . 2]" 1
383 1 25 ILE QG 1 57 THR HA . . 3.730 3.601 3.099 4.059 0.329 3 0 "[ . 1 . 2]" 1
384 1 25 ILE QG 1 58 LEU H . . 4.340 4.421 4.126 4.902 0.562 3 1 "[ + . 1 . 2]" 1
385 1 25 ILE QG 1 58 LEU HG . . 4.380 4.746 4.293 5.131 0.751 3 7 "[ + .* *1 -* . **2]" 1
386 1 25 ILE QG 1 61 TYR HB2 . . 5.500 4.513 4.104 4.751 . 0 0 "[ . 1 . 2]" 1
387 1 25 ILE QG 1 61 TYR QE . . 4.700 2.565 2.256 3.041 . 0 0 "[ . 1 . 2]" 1
388 1 25 ILE MG 1 28 ILE HB . . 4.290 3.172 2.761 3.636 . 0 0 "[ . 1 . 2]" 1
389 1 25 ILE MG 1 28 ILE HG12 . . 4.310 3.808 3.609 4.465 0.155 3 0 "[ . 1 . 2]" 1
390 1 25 ILE MG 1 28 ILE HG13 . . 4.310 3.564 3.030 4.628 0.318 3 0 "[ . 1 . 2]" 1
391 1 25 ILE MG 1 52 MET HB2 . . 3.930 2.477 2.176 3.076 . 0 0 "[ . 1 . 2]" 1
392 1 25 ILE MG 1 52 MET QB . . 3.280 2.128 1.984 2.633 . 0 0 "[ . 1 . 2]" 1
393 1 25 ILE MG 1 52 MET HB3 . . 3.930 2.360 2.160 3.079 . 0 0 "[ . 1 . 2]" 1
394 1 25 ILE MG 1 52 MET QG . . 3.790 3.693 3.377 4.512 0.722 3 1 "[ + . 1 . 2]" 1
395 1 25 ILE MG 1 54 ASN HA . . 3.480 2.839 2.354 3.550 0.070 2 0 "[ . 1 . 2]" 1
396 1 25 ILE MG 1 56 LYS HB2 . . 5.500 4.885 4.487 5.409 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU H 1 26 LEU QB . . 3.220 2.172 2.106 2.218 . 0 0 "[ . 1 . 2]" 1
398 1 26 LEU H 1 27 ASP H . . 3.830 2.859 2.730 2.945 . 0 0 "[ . 1 . 2]" 1
399 1 26 LEU H 1 54 ASN HA . . 3.720 3.001 2.758 3.228 . 0 0 "[ . 1 . 2]" 1
400 1 26 LEU HA 1 29 LYS H . . 4.140 3.182 3.014 3.495 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU HA 1 29 LYS HB2 . . 3.870 2.754 2.298 3.114 . 0 0 "[ . 1 . 2]" 1
402 1 26 LEU QB 1 27 ASP H . . 3.730 2.910 2.584 3.669 . 0 0 "[ . 1 . 2]" 1
403 1 26 LEU QB 1 54 ASN HA . . 4.100 3.351 2.800 3.564 . 0 0 "[ . 1 . 2]" 1
404 1 26 LEU QB 1 54 ASN HB2 . . 4.970 2.577 2.189 3.831 . 0 0 "[ . 1 . 2]" 1
405 1 26 LEU QB 1 54 ASN QB . . 3.370 2.284 2.169 2.566 . 0 0 "[ . 1 . 2]" 1
406 1 26 LEU QB 1 54 ASN HB3 . . 4.970 3.509 2.203 4.179 . 0 0 "[ . 1 . 2]" 1
407 1 26 LEU QB 1 54 ASN QD . . 4.710 4.053 2.911 4.951 0.241 19 0 "[ . 1 . 2]" 1
408 1 26 LEU HG 1 27 ASP H . . 3.970 4.031 2.380 4.827 0.857 17 2 "[ . 1 . +- 2]" 1
409 1 27 ASP H 1 27 ASP HB2 . . 3.760 2.500 2.422 2.573 . 0 0 "[ . 1 . 2]" 1
410 1 27 ASP H 1 27 ASP QB . . 3.170 2.458 2.387 2.521 . 0 0 "[ . 1 . 2]" 1
411 1 27 ASP H 1 27 ASP HB3 . . 3.760 3.625 3.591 3.651 . 0 0 "[ . 1 . 2]" 1
412 1 27 ASP H 1 28 ILE H . . 3.310 2.543 2.409 2.702 . 0 0 "[ . 1 . 2]" 1
413 1 27 ASP H 1 28 ILE MD . . 5.310 4.803 4.622 5.088 . 0 0 "[ . 1 . 2]" 1
414 1 27 ASP H 1 30 GLU H . . 5.360 4.752 4.566 5.183 . 0 0 "[ . 1 . 2]" 1
415 1 27 ASP HA 1 28 ILE HA . . 5.040 4.812 4.738 4.848 . 0 0 "[ . 1 . 2]" 1
416 1 27 ASP HA 1 30 GLU H . . 4.120 3.199 2.988 3.559 . 0 0 "[ . 1 . 2]" 1
417 1 27 ASP HA 1 30 GLU HB2 . . 3.610 3.148 2.369 3.924 0.314 18 0 "[ . 1 . 2]" 1
418 1 27 ASP HA 1 30 GLU HB3 . . 4.170 2.853 2.385 4.099 . 0 0 "[ . 1 . 2]" 1
419 1 27 ASP QB 1 28 ILE H . . 3.580 2.893 2.765 3.060 . 0 0 "[ . 1 . 2]" 1
420 1 27 ASP QB 1 31 MET ME . . 4.770 3.418 2.808 4.088 . 0 0 "[ . 1 . 2]" 1
421 1 27 ASP HB2 1 28 ILE H . . 4.210 2.988 2.828 3.199 . 0 0 "[ . 1 . 2]" 1
422 1 27 ASP HB3 1 28 ILE H . . 4.210 3.878 3.778 3.953 . 0 0 "[ . 1 . 2]" 1
423 1 28 ILE H 1 28 ILE HB . . 3.360 2.651 2.566 2.706 . 0 0 "[ . 1 . 2]" 1
424 1 28 ILE H 1 28 ILE MD . . 3.640 3.069 2.929 3.229 . 0 0 "[ . 1 . 2]" 1
425 1 28 ILE H 1 28 ILE HG12 . . 3.680 2.185 2.131 2.266 . 0 0 "[ . 1 . 2]" 1
426 1 28 ILE H 1 28 ILE QG . . 3.200 2.170 2.118 2.247 . 0 0 "[ . 1 . 2]" 1
427 1 28 ILE H 1 28 ILE HG13 . . 3.680 3.686 3.648 3.725 0.045 17 0 "[ . 1 . 2]" 1
428 1 28 ILE H 1 29 LYS H . . 3.410 2.660 2.534 2.738 . 0 0 "[ . 1 . 2]" 1
429 1 28 ILE H 1 31 MET ME . . 4.300 3.943 3.649 4.680 0.380 3 0 "[ . 1 . 2]" 1
430 1 28 ILE HA 1 28 ILE MD . . 3.740 2.294 2.200 2.361 . 0 0 "[ . 1 . 2]" 1
431 1 28 ILE HA 1 28 ILE HG12 . . 3.920 3.333 3.240 3.411 . 0 0 "[ . 1 . 2]" 1
432 1 28 ILE HA 1 28 ILE QG . . 3.420 3.140 3.073 3.200 . 0 0 "[ . 1 . 2]" 1
433 1 28 ILE HA 1 28 ILE HG13 . . 3.920 3.837 3.790 3.875 . 0 0 "[ . 1 . 2]" 1
434 1 28 ILE HA 1 28 ILE MG . . 3.610 2.339 2.300 2.399 . 0 0 "[ . 1 . 2]" 1
435 1 28 ILE HA 1 31 MET H . . 4.270 3.382 3.133 3.561 . 0 0 "[ . 1 . 2]" 1
436 1 28 ILE HA 1 31 MET QB . . 3.890 3.183 2.621 4.238 0.348 14 0 "[ . 1 . 2]" 1
437 1 28 ILE HA 1 31 MET ME . . 3.840 2.183 2.015 3.341 . 0 0 "[ . 1 . 2]" 1
438 1 28 ILE HA 1 31 MET QG . . 4.520 3.053 2.075 3.873 . 0 0 "[ . 1 . 2]" 1
439 1 28 ILE HA 1 32 ILE MD . . 4.640 4.313 3.948 4.613 . 0 0 "[ . 1 . 2]" 1
440 1 28 ILE HB 1 28 ILE MD . . 3.750 3.284 3.271 3.298 . 0 0 "[ . 1 . 2]" 1
441 1 28 ILE HB 1 29 LYS H . . 3.450 2.631 2.547 2.737 . 0 0 "[ . 1 . 2]" 1
442 1 28 ILE HB 1 29 LYS QE . . 5.100 5.358 4.849 5.563 0.463 3 0 "[ . 1 . 2]" 1
443 1 28 ILE HB 1 32 ILE MD . . 4.580 3.876 3.688 4.091 . 0 0 "[ . 1 . 2]" 1
444 1 28 ILE MD 1 31 MET H . . 5.500 4.964 4.866 5.093 . 0 0 "[ . 1 . 2]" 1
445 1 28 ILE MD 1 31 MET ME . . 3.460 2.028 1.908 2.640 . 0 0 "[ . 1 . 2]" 1
446 1 28 ILE HG12 1 28 ILE MG . . 3.560 3.231 3.222 3.238 . 0 0 "[ . 1 . 2]" 1
447 1 28 ILE HG13 1 28 ILE MG . . 3.560 2.300 2.274 2.321 . 0 0 "[ . 1 . 2]" 1
448 1 28 ILE MG 1 29 LYS H . . 3.820 3.584 3.466 3.759 . 0 0 "[ . 1 . 2]" 1
449 1 28 ILE MG 1 29 LYS HA . . 4.270 3.775 3.625 4.007 . 0 0 "[ . 1 . 2]" 1
450 1 28 ILE MG 1 31 MET H . . 5.500 4.670 4.291 4.867 . 0 0 "[ . 1 . 2]" 1
451 1 28 ILE MG 1 31 MET ME . . 3.850 3.057 2.372 4.166 0.316 3 0 "[ . 1 . 2]" 1
452 1 28 ILE MG 1 32 ILE HG13 . . 3.930 3.050 2.704 3.352 . 0 0 "[ . 1 . 2]" 1
453 1 29 LYS H 1 29 LYS HB2 . . 3.430 2.623 2.534 2.690 . 0 0 "[ . 1 . 2]" 1
454 1 29 LYS H 1 29 LYS HB3 . . 3.900 3.664 3.630 3.697 . 0 0 "[ . 1 . 2]" 1
455 1 29 LYS H 1 29 LYS QD . . 4.170 4.128 3.981 4.184 0.014 6 0 "[ . 1 . 2]" 1
456 1 29 LYS H 1 29 LYS QG . . 3.260 2.358 2.238 2.463 . 0 0 "[ . 1 . 2]" 1
457 1 29 LYS H 1 30 GLU H . . 3.630 2.827 2.770 2.890 . 0 0 "[ . 1 . 2]" 1
458 1 29 LYS HA 1 29 LYS QG . . 3.640 2.413 2.334 2.479 . 0 0 "[ . 1 . 2]" 1
459 1 29 LYS HA 1 32 ILE H . . 4.670 3.478 3.284 3.667 . 0 0 "[ . 1 . 2]" 1
460 1 29 LYS HA 1 32 ILE HA . . 5.500 5.376 5.210 5.549 0.049 5 0 "[ . 1 . 2]" 1
461 1 29 LYS HA 1 32 ILE HB . . 3.690 2.499 2.361 2.647 . 0 0 "[ . 1 . 2]" 1
462 1 29 LYS HA 1 32 ILE MD . . 3.470 2.403 2.281 2.655 . 0 0 "[ . 1 . 2]" 1
463 1 29 LYS HA 1 40 VAL HA . . 5.500 4.821 4.679 5.090 . 0 0 "[ . 1 . 2]" 1
464 1 29 LYS HA 1 43 GLN HE22 . . 4.500 2.875 2.719 3.111 . 0 0 "[ . 1 . 2]" 1
465 1 29 LYS HA 1 45 LEU MD1 . . 5.460 4.254 3.452 5.417 . 0 0 "[ . 1 . 2]" 1
466 1 29 LYS HA 1 45 LEU QD . . 4.340 3.818 3.231 4.230 . 0 0 "[ . 1 . 2]" 1
467 1 29 LYS HA 1 45 LEU MD2 . . 5.460 4.892 3.272 5.478 0.018 12 0 "[ . 1 . 2]" 1
468 1 29 LYS HB2 1 30 GLU H . . 3.640 2.810 2.636 3.030 . 0 0 "[ . 1 . 2]" 1
469 1 29 LYS HB2 1 40 VAL QG . . 3.910 2.751 2.581 3.146 . 0 0 "[ . 1 . 2]" 1
470 1 29 LYS HB2 1 43 GLN QG . . 5.080 4.755 4.487 5.022 . 0 0 "[ . 1 . 2]" 1
471 1 29 LYS HB3 1 30 GLU H . . 3.860 3.749 3.641 3.908 0.048 19 0 "[ . 1 . 2]" 1
472 1 29 LYS HB3 1 40 VAL HA . . 4.000 2.808 2.628 3.037 . 0 0 "[ . 1 . 2]" 1
473 1 29 LYS HB3 1 40 VAL QG . . 3.170 2.258 2.176 2.593 . 0 0 "[ . 1 . 2]" 1
474 1 29 LYS HB3 1 43 GLN HE21 . . 4.060 3.682 3.555 4.097 0.037 3 0 "[ . 1 . 2]" 1
475 1 29 LYS HB3 1 43 GLN HE22 . . 4.380 2.957 2.716 3.248 . 0 0 "[ . 1 . 2]" 1
476 1 29 LYS QD 1 40 VAL HB . . 4.640 2.431 2.191 2.782 . 0 0 "[ . 1 . 2]" 1
477 1 29 LYS QD 1 40 VAL QG . . 3.830 3.141 2.962 3.394 . 0 0 "[ . 1 . 2]" 1
478 1 29 LYS QE 1 40 VAL QG . . 5.240 4.691 4.498 4.966 . 0 0 "[ . 1 . 2]" 1
479 1 29 LYS QG 1 32 ILE MD . . 3.890 3.337 3.006 3.776 . 0 0 "[ . 1 . 2]" 1
480 1 29 LYS QG 1 40 VAL QG . . 3.430 3.909 3.840 4.187 0.757 3 2 "[ + . 1 . - 2]" 1
481 1 30 GLU H 1 30 GLU HB2 . . 2.960 2.488 2.349 2.616 . 0 0 "[ . 1 . 2]" 1
482 1 30 GLU H 1 30 GLU HB3 . . 3.920 2.641 2.385 3.611 . 0 0 "[ . 1 . 2]" 1
483 1 30 GLU H 1 30 GLU QG . . 4.030 3.857 2.406 4.094 0.064 11 0 "[ . 1 . 2]" 1
484 1 30 GLU H 1 31 MET H . . 3.500 2.867 2.704 2.987 . 0 0 "[ . 1 . 2]" 1
485 1 30 GLU H 1 32 ILE MD . . 4.960 5.177 4.949 5.252 0.292 3 0 "[ . 1 . 2]" 1
486 1 30 GLU H 1 40 VAL QG . . 3.750 3.316 3.048 3.757 0.007 11 0 "[ . 1 . 2]" 1
487 1 30 GLU HA 1 33 PHE H . . 4.000 3.338 3.180 3.468 . 0 0 "[ . 1 . 2]" 1
488 1 30 GLU HA 1 33 PHE HB2 . . 4.080 3.588 3.398 3.818 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLU HA 1 33 PHE HB3 . . 3.690 2.351 2.159 2.626 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLU HA 1 33 PHE QD . . 4.770 3.356 2.999 3.839 . 0 0 "[ . 1 . 2]" 1
491 1 30 GLU HA 1 34 LYS H . . 5.090 4.186 3.949 4.679 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLU HA 1 40 VAL QG . . 3.480 2.689 2.333 3.120 . 0 0 "[ . 1 . 2]" 1
493 1 30 GLU HB2 1 31 MET H . . 4.040 3.865 2.910 4.093 0.053 12 0 "[ . 1 . 2]" 1
494 1 30 GLU HB2 1 40 VAL QG . . 4.410 3.391 2.852 4.237 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLU HB3 1 31 MET H . . 4.160 2.771 2.511 3.810 . 0 0 "[ . 1 . 2]" 1
496 1 30 GLU HB3 1 40 VAL QG . . 5.170 4.419 3.986 5.042 . 0 0 "[ . 1 . 2]" 1
497 1 30 GLU QG 1 40 VAL QG . . 3.850 3.837 2.163 4.738 0.888 16 5 "[ * 1* .+ *-2]" 1
498 1 31 MET H 1 31 MET HB2 . . 3.790 2.842 2.426 3.694 . 0 0 "[ . 1 . 2]" 1
499 1 31 MET H 1 31 MET QB . . 3.140 2.490 2.391 2.629 . 0 0 "[ . 1 . 2]" 1
500 1 31 MET H 1 31 MET HB3 . . 3.790 3.341 2.636 3.675 . 0 0 "[ . 1 . 2]" 1
501 1 31 MET H 1 31 MET ME . . 4.160 3.571 3.276 4.175 0.015 3 0 "[ . 1 . 2]" 1
502 1 31 MET H 1 31 MET QG . . 3.140 2.297 2.037 2.528 . 0 0 "[ . 1 . 2]" 1
503 1 31 MET H 1 32 ILE H . . 3.540 2.748 2.527 2.885 . 0 0 "[ . 1 . 2]" 1
504 1 31 MET H 1 34 LYS H . . 5.240 4.859 4.689 5.112 . 0 0 "[ . 1 . 2]" 1
505 1 31 MET HA 1 31 MET HG2 . . 4.080 2.806 2.341 3.763 . 0 0 "[ . 1 . 2]" 1
506 1 31 MET HA 1 31 MET QG . . 3.430 2.631 2.270 3.360 . 0 0 "[ . 1 . 2]" 1
507 1 31 MET HA 1 31 MET HG3 . . 4.080 3.288 2.979 3.812 . 0 0 "[ . 1 . 2]" 1
508 1 31 MET HA 1 34 LYS H . . 4.020 3.433 3.202 3.744 . 0 0 "[ . 1 . 2]" 1
509 1 31 MET HA 1 34 LYS HB2 . . 4.250 2.863 2.341 3.411 . 0 0 "[ . 1 . 2]" 1
510 1 31 MET HA 1 34 LYS QG . . 4.180 3.555 2.723 4.233 0.053 3 0 "[ . 1 . 2]" 1
511 1 31 MET QB 1 31 MET ME . . 3.160 2.344 2.186 3.610 0.450 3 0 "[ . 1 . 2]" 1
512 1 31 MET QB 1 32 ILE H . . 3.850 2.906 2.558 3.621 . 0 0 "[ . 1 . 2]" 1
513 1 31 MET ME 1 31 MET HG2 . . 3.490 3.032 2.256 3.443 . 0 0 "[ . 1 . 2]" 1
514 1 31 MET ME 1 31 MET HG3 . . 3.490 2.710 2.344 3.379 . 0 0 "[ . 1 . 2]" 1
515 1 31 MET ME 1 32 ILE MD . . 4.630 5.061 4.804 6.380 1.750 3 1 "[ + . 1 . 2]" 1
516 1 32 ILE H 1 32 ILE HB . . 3.350 2.384 2.325 2.430 . 0 0 "[ . 1 . 2]" 1
517 1 32 ILE H 1 32 ILE HG12 . . 3.820 3.698 3.570 3.804 . 0 0 "[ . 1 . 2]" 1
518 1 32 ILE H 1 32 ILE HG13 . . 3.090 2.298 2.175 2.409 . 0 0 "[ . 1 . 2]" 1
519 1 32 ILE H 1 32 ILE MG . . 3.880 3.773 3.753 3.787 . 0 0 "[ . 1 . 2]" 1
520 1 32 ILE H 1 33 PHE H . . 3.570 2.708 2.570 2.786 . 0 0 "[ . 1 . 2]" 1
521 1 32 ILE HA 1 32 ILE HG12 . . 4.100 2.582 2.519 2.648 . 0 0 "[ . 1 . 2]" 1
522 1 32 ILE HA 1 32 ILE HG13 . . 3.730 2.743 2.628 2.845 . 0 0 "[ . 1 . 2]" 1
523 1 32 ILE HA 1 35 LYS H . . 4.240 3.481 3.347 4.170 . 0 0 "[ . 1 . 2]" 1
524 1 32 ILE HA 1 35 LYS QB . . 3.930 2.820 2.598 3.154 . 0 0 "[ . 1 . 2]" 1
525 1 32 ILE HA 1 36 THR H . . 4.680 4.134 3.601 4.527 . 0 0 "[ . 1 . 2]" 1
526 1 32 ILE HA 1 36 THR MG . . 4.340 3.283 3.079 3.527 . 0 0 "[ . 1 . 2]" 1
527 1 32 ILE HB 1 32 ILE MD . . 3.650 2.339 2.297 2.379 . 0 0 "[ . 1 . 2]" 1
528 1 32 ILE HB 1 33 PHE H . . 3.580 2.603 2.500 2.829 . 0 0 "[ . 1 . 2]" 1
529 1 32 ILE HB 1 43 GLN HE21 . . 4.330 4.179 3.988 4.339 0.009 13 0 "[ . 1 . 2]" 1
530 1 32 ILE HB 1 43 GLN HE22 . . 3.980 2.558 2.389 2.704 . 0 0 "[ . 1 . 2]" 1
531 1 32 ILE HG12 1 32 ILE MG . . 3.560 2.392 2.333 2.432 . 0 0 "[ . 1 . 2]" 1
532 1 32 ILE HG12 1 36 THR MG . . 5.320 4.098 3.875 4.357 . 0 0 "[ . 1 . 2]" 1
533 1 32 ILE HG13 1 33 PHE H . . 4.530 4.396 4.350 4.568 0.038 3 0 "[ . 1 . 2]" 1
534 1 32 ILE MG 1 33 PHE H . . 3.630 3.192 3.063 3.415 . 0 0 "[ . 1 . 2]" 1
535 1 32 ILE MG 1 33 PHE HA . . 4.150 3.331 3.185 3.547 . 0 0 "[ . 1 . 2]" 1
536 1 32 ILE MG 1 34 LYS H . . 4.870 4.942 4.897 5.165 0.295 3 0 "[ . 1 . 2]" 1
537 1 32 ILE MG 1 35 LYS H . . 4.520 4.436 4.201 4.686 0.166 3 0 "[ . 1 . 2]" 1
538 1 32 ILE MG 1 36 THR H . . 4.200 3.809 3.509 4.110 . 0 0 "[ . 1 . 2]" 1
539 1 32 ILE MG 1 37 ASN H . . 4.590 4.692 4.602 5.154 0.564 3 1 "[ + . 1 . 2]" 1
540 1 32 ILE MG 1 43 GLN HE22 . . 3.990 2.824 2.704 3.018 . 0 0 "[ . 1 . 2]" 1
541 1 33 PHE H 1 33 PHE HB2 . . 3.870 2.729 2.657 2.848 . 0 0 "[ . 1 . 2]" 1
542 1 33 PHE H 1 33 PHE HB3 . . 3.410 2.359 2.303 2.434 . 0 0 "[ . 1 . 2]" 1
543 1 33 PHE H 1 33 PHE QD . . 4.400 4.192 4.132 4.252 . 0 0 "[ . 1 . 2]" 1
544 1 33 PHE H 1 34 LYS H . . 3.540 2.875 2.755 2.970 . 0 0 "[ . 1 . 2]" 1
545 1 33 PHE H 1 43 GLN HE21 . . 4.630 3.837 3.587 4.015 . 0 0 "[ . 1 . 2]" 1
546 1 33 PHE H 1 43 GLN HE22 . . 3.780 2.573 2.352 2.810 . 0 0 "[ . 1 . 2]" 1
547 1 33 PHE HA 1 33 PHE QD . . 3.700 2.707 2.385 3.022 . 0 0 "[ . 1 . 2]" 1
548 1 33 PHE HA 1 36 THR H . . 5.500 3.426 3.229 3.763 . 0 0 "[ . 1 . 2]" 1
549 1 33 PHE HA 1 36 THR HB . . 4.620 5.302 4.871 5.611 0.991 10 19 "[** ******+*******-**]" 1
550 1 33 PHE HA 1 37 ASN H . . 4.320 2.847 2.569 3.247 . 0 0 "[ . 1 . 2]" 1
551 1 33 PHE HA 1 37 ASN HA . . 4.040 3.428 3.112 3.969 . 0 0 "[ . 1 . 2]" 1
552 1 33 PHE HA 1 38 ILE H . . 3.960 3.130 2.919 3.563 . 0 0 "[ . 1 . 2]" 1
553 1 33 PHE HB2 1 34 LYS H . . 4.150 4.194 4.048 4.277 0.127 18 0 "[ . 1 . 2]" 1
554 1 33 PHE HB2 1 39 ASN HA . . 4.940 3.871 3.482 4.428 . 0 0 "[ . 1 . 2]" 1
555 1 33 PHE HB2 1 40 VAL H . . 4.480 3.802 3.562 4.179 . 0 0 "[ . 1 . 2]" 1
556 1 33 PHE HB2 1 40 VAL QG . . 3.900 2.558 2.331 2.860 . 0 0 "[ . 1 . 2]" 1
557 1 33 PHE HB2 1 43 GLN HE21 . . 4.350 2.515 2.248 2.813 . 0 0 "[ . 1 . 2]" 1
558 1 33 PHE HB2 1 43 GLN HE22 . . 4.430 2.681 2.432 2.941 . 0 0 "[ . 1 . 2]" 1
559 1 33 PHE HB3 1 34 LYS H . . 3.610 2.964 2.761 3.070 . 0 0 "[ . 1 . 2]" 1
560 1 33 PHE HB3 1 34 LYS HA . . 4.580 4.901 4.871 4.935 0.355 18 0 "[ . 1 . 2]" 1
561 1 33 PHE HB3 1 40 VAL QG . . 4.100 2.992 2.690 3.431 . 0 0 "[ . 1 . 2]" 1
562 1 33 PHE HB3 1 43 GLN HE21 . . 4.820 4.091 3.864 4.351 . 0 0 "[ . 1 . 2]" 1
563 1 33 PHE QD 1 34 LYS H . . 4.070 3.628 3.221 4.074 0.004 16 0 "[ . 1 . 2]" 1
564 1 33 PHE QD 1 37 ASN H . . 4.520 3.934 3.563 4.334 . 0 0 "[ . 1 . 2]" 1
565 1 33 PHE QD 1 37 ASN HA . . 4.320 2.765 2.466 3.177 . 0 0 "[ . 1 . 2]" 1
566 1 33 PHE QD 1 38 ILE H . . 4.210 3.522 2.947 3.989 . 0 0 "[ . 1 . 2]" 1
567 1 33 PHE QD 1 38 ILE MG . . 4.860 4.940 4.736 5.157 0.297 18 0 "[ . 1 . 2]" 1
568 1 33 PHE QD 1 39 ASN HA . . 3.770 2.860 2.432 3.262 . 0 0 "[ . 1 . 2]" 1
569 1 33 PHE QD 1 40 VAL H . . 4.730 4.108 3.788 4.453 . 0 0 "[ . 1 . 2]" 1
570 1 33 PHE QE 1 37 ASN HA . . 4.710 3.228 2.833 3.727 . 0 0 "[ . 1 . 2]" 1
571 1 33 PHE QE 1 39 ASN HA . . 5.500 3.449 2.976 4.138 . 0 0 "[ . 1 . 2]" 1
572 1 34 LYS H 1 34 LYS HB2 . . 2.960 2.412 2.302 2.576 . 0 0 "[ . 1 . 2]" 1
573 1 34 LYS H 1 34 LYS HG2 . . 3.690 3.279 2.281 3.950 0.260 6 0 "[ . 1 . 2]" 1
574 1 34 LYS H 1 34 LYS HG3 . . 3.690 2.942 2.307 3.853 0.163 8 0 "[ . 1 . 2]" 1
575 1 34 LYS H 1 35 LYS H . . 3.470 2.756 2.583 3.082 . 0 0 "[ . 1 . 2]" 1
576 1 34 LYS HA 1 34 LYS HD2 . . 4.840 3.921 2.214 4.826 . 0 0 "[ . 1 . 2]" 1
577 1 34 LYS HA 1 34 LYS HD3 . . 4.840 3.961 2.216 4.767 . 0 0 "[ . 1 . 2]" 1
578 1 34 LYS HA 1 34 LYS QE . . 4.080 4.068 2.338 4.396 0.316 19 0 "[ . 1 . 2]" 1
579 1 34 LYS HA 1 34 LYS HG2 . . 4.040 2.666 2.277 3.286 . 0 0 "[ . 1 . 2]" 1
580 1 34 LYS HA 1 34 LYS QG . . 3.420 2.526 2.197 3.094 . 0 0 "[ . 1 . 2]" 1
581 1 34 LYS HA 1 34 LYS HG3 . . 4.040 3.175 2.581 3.859 . 0 0 "[ . 1 . 2]" 1
582 1 34 LYS HA 1 37 ASN H . . 4.750 4.364 4.086 4.605 . 0 0 "[ . 1 . 2]" 1
583 1 34 LYS HB2 1 34 LYS QE . . 4.270 3.379 1.965 4.631 0.361 10 0 "[ . 1 . 2]" 1
584 1 34 LYS HB2 1 35 LYS H . . 4.030 3.188 2.753 4.020 . 0 0 "[ . 1 . 2]" 1
585 1 34 LYS HB3 1 34 LYS QD . . 3.590 2.685 2.294 3.184 . 0 0 "[ . 1 . 2]" 1
586 1 35 LYS H 1 35 LYS QB . . 3.030 2.401 2.240 2.833 . 0 0 "[ . 1 . 2]" 1
587 1 35 LYS H 1 35 LYS QD . . 5.120 4.082 3.348 4.651 . 0 0 "[ . 1 . 2]" 1
588 1 35 LYS H 1 35 LYS QG . . 4.520 2.831 2.397 3.681 . 0 0 "[ . 1 . 2]" 1
589 1 35 LYS H 1 36 THR H . . 3.340 2.379 1.998 2.619 . 0 0 "[ . 1 . 2]" 1
590 1 35 LYS H 1 36 THR MG . . 4.430 3.797 3.567 4.046 . 0 0 "[ . 1 . 2]" 1
591 1 35 LYS H 1 37 ASN H . . 4.170 3.793 2.814 4.216 0.046 4 0 "[ . 1 . 2]" 1
592 1 35 LYS HA 1 35 LYS QD . . 4.120 2.224 2.053 2.559 . 0 0 "[ . 1 . 2]" 1
593 1 35 LYS HA 1 35 LYS HE2 . . 5.500 4.513 4.085 4.964 . 0 0 "[ . 1 . 2]" 1
594 1 35 LYS HA 1 35 LYS HE3 . . 5.500 4.686 2.818 5.171 . 0 0 "[ . 1 . 2]" 1
595 1 35 LYS QB 1 35 LYS QD . . 3.190 2.392 2.261 2.941 . 0 0 "[ . 1 . 2]" 1
596 1 35 LYS QB 1 35 LYS HE2 . . 5.080 4.080 2.616 4.487 . 0 0 "[ . 1 . 2]" 1
597 1 35 LYS QB 1 35 LYS QE . . 4.370 3.510 2.065 3.895 . 0 0 "[ . 1 . 2]" 1
598 1 35 LYS QB 1 35 LYS HE3 . . 5.080 3.880 2.088 4.483 . 0 0 "[ . 1 . 2]" 1
599 1 35 LYS QB 1 36 THR H . . 3.620 2.890 2.311 3.343 . 0 0 "[ . 1 . 2]" 1
600 1 35 LYS QB 1 36 THR HA . . 4.800 4.195 3.762 4.449 . 0 0 "[ . 1 . 2]" 1
601 1 35 LYS QB 1 36 THR MG . . 3.380 2.553 2.242 3.053 . 0 0 "[ . 1 . 2]" 1
602 1 35 LYS QD 1 35 LYS QG . . 2.330 2.108 1.989 2.129 . 0 0 "[ . 1 . 2]" 1
603 1 35 LYS QG 1 36 THR H . . 4.720 4.368 4.076 4.644 . 0 0 "[ . 1 . 2]" 1
604 1 36 THR H 1 36 THR MG . . 3.520 2.546 2.078 2.880 . 0 0 "[ . 1 . 2]" 1
605 1 36 THR H 1 37 ASN H . . 3.150 2.214 1.885 2.683 . 0 0 "[ . 1 . 2]" 1
606 1 36 THR H 1 37 ASN HA . . 5.060 4.401 4.062 4.863 . 0 0 "[ . 1 . 2]" 1
607 1 36 THR HA 1 36 THR MG . . 3.250 2.559 2.445 2.656 . 0 0 "[ . 1 . 2]" 1
608 1 36 THR HA 1 37 ASN HB2 . . 5.500 4.562 4.068 4.898 . 0 0 "[ . 1 . 2]" 1
609 1 36 THR HA 1 37 ASN QB . . 4.790 4.172 3.977 4.603 . 0 0 "[ . 1 . 2]" 1
610 1 36 THR HA 1 37 ASN HB3 . . 5.500 4.982 4.436 6.142 0.642 3 1 "[ + . 1 . 2]" 1
611 1 36 THR HA 1 38 ILE H . . 5.340 4.264 4.134 4.442 . 0 0 "[ . 1 . 2]" 1
612 1 36 THR HA 1 38 ILE MD . . 5.500 4.508 4.467 4.572 . 0 0 "[ . 1 . 2]" 1
613 1 36 THR HA 1 38 ILE QG . . 5.000 4.297 4.132 4.708 . 0 0 "[ . 1 . 2]" 1
614 1 36 THR HB 1 38 ILE H . . 4.570 3.420 2.930 3.899 . 0 0 "[ . 1 . 2]" 1
615 1 36 THR HB 1 38 ILE HB . . 4.630 4.159 3.011 4.688 0.058 13 0 "[ . 1 . 2]" 1
616 1 36 THR HB 1 38 ILE MD . . 3.920 2.838 2.452 3.714 . 0 0 "[ . 1 . 2]" 1
617 1 36 THR HB 1 38 ILE QG . . 3.810 2.696 2.263 3.610 . 0 0 "[ . 1 . 2]" 1
618 1 36 THR HB 1 38 ILE MG . . 4.890 5.093 4.409 5.499 0.609 9 3 "[ . +* - . 2]" 1
619 1 36 THR MG 1 37 ASN H . . 4.450 4.059 3.973 4.118 . 0 0 "[ . 1 . 2]" 1
620 1 36 THR MG 1 38 ILE H . . 4.710 4.205 3.936 4.458 . 0 0 "[ . 1 . 2]" 1
621 1 36 THR MG 1 38 ILE QG . . 4.010 3.937 3.393 4.723 0.713 9 1 "[ . +1 . 2]" 1
622 1 37 ASN H 1 37 ASN QB . . 3.670 3.020 2.846 3.439 . 0 0 "[ . 1 . 2]" 1
623 1 37 ASN H 1 38 ILE H . . 3.610 2.838 2.732 3.012 . 0 0 "[ . 1 . 2]" 1
624 1 38 ILE H 1 38 ILE HB . . 3.170 2.562 2.438 2.738 . 0 0 "[ . 1 . 2]" 1
625 1 38 ILE H 1 38 ILE MD . . 4.670 3.296 2.779 3.852 . 0 0 "[ . 1 . 2]" 1
626 1 38 ILE H 1 38 ILE QG . . 3.900 2.296 2.137 2.605 . 0 0 "[ . 1 . 2]" 1
627 1 38 ILE H 1 38 ILE MG . . 4.340 3.824 3.795 3.854 . 0 0 "[ . 1 . 2]" 1
628 1 38 ILE HA 1 38 ILE MD . . 3.970 3.473 2.344 4.000 0.030 7 0 "[ . 1 . 2]" 1
629 1 38 ILE HA 1 38 ILE MG . . 3.190 2.371 2.258 2.483 . 0 0 "[ . 1 . 2]" 1
630 1 38 ILE HA 1 39 ASN H . . 2.870 2.158 2.121 2.222 . 0 0 "[ . 1 . 2]" 1
631 1 38 ILE HA 1 39 ASN HB2 . . 4.720 4.461 4.285 4.683 . 0 0 "[ . 1 . 2]" 1
632 1 38 ILE HB 1 38 ILE MD . . 3.730 2.625 2.242 3.292 . 0 0 "[ . 1 . 2]" 1
633 1 38 ILE HB 1 39 ASN H . . 4.370 4.276 4.145 4.405 0.035 5 0 "[ . 1 . 2]" 1
634 1 38 ILE HB 1 43 GLN HE21 . . 4.780 3.550 3.227 3.864 . 0 0 "[ . 1 . 2]" 1
635 1 38 ILE MD 1 43 GLN QG . . 5.500 4.905 4.124 5.507 0.007 4 0 "[ . 1 . 2]" 1
636 1 38 ILE QG 1 38 ILE MG . . 2.830 2.273 2.215 2.363 . 0 0 "[ . 1 . 2]" 1
637 1 38 ILE MG 1 39 ASN H . . 3.500 2.884 2.709 3.120 . 0 0 "[ . 1 . 2]" 1
638 1 38 ILE MG 1 42 ASP HB2 . . 3.880 2.812 2.323 3.655 . 0 0 "[ . 1 . 2]" 1
639 1 38 ILE MG 1 42 ASP QB . . 3.320 2.574 2.210 2.848 . 0 0 "[ . 1 . 2]" 1
640 1 38 ILE MG 1 42 ASP HB3 . . 3.880 3.075 2.422 3.414 . 0 0 "[ . 1 . 2]" 1
641 1 38 ILE MG 1 43 GLN H . . 4.160 3.174 2.818 3.771 . 0 0 "[ . 1 . 2]" 1
642 1 38 ILE MG 1 43 GLN HA . . 5.070 3.427 3.127 3.635 . 0 0 "[ . 1 . 2]" 1
643 1 38 ILE MG 1 43 GLN QG . . 3.780 2.521 2.238 2.826 . 0 0 "[ . 1 . 2]" 1
644 1 39 ASN H 1 39 ASN HB2 . . 3.230 2.361 2.259 2.473 . 0 0 "[ . 1 . 2]" 1
645 1 39 ASN H 1 39 ASN HB3 . . 3.650 3.389 2.632 3.599 . 0 0 "[ . 1 . 2]" 1
646 1 39 ASN H 1 39 ASN QD . . 4.810 3.151 2.069 4.486 . 0 0 "[ . 1 . 2]" 1
647 1 39 ASN H 1 40 VAL H . . 4.740 4.683 4.640 4.730 . 0 0 "[ . 1 . 2]" 1
648 1 39 ASN HA 1 40 VAL H . . 3.000 2.229 2.169 2.294 . 0 0 "[ . 1 . 2]" 1
649 1 39 ASN HA 1 40 VAL QG . . 4.100 3.418 3.255 3.541 . 0 0 "[ . 1 . 2]" 1
650 1 39 ASN HA 1 41 LYS QG . . 4.960 4.633 4.308 5.104 0.144 3 0 "[ . 1 . 2]" 1
651 1 39 ASN HA 1 42 ASP QB . . 4.840 4.862 4.527 5.375 0.535 9 1 "[ . +1 . 2]" 1
652 1 39 ASN HB2 1 40 VAL H . . 4.700 4.222 4.022 4.323 . 0 0 "[ . 1 . 2]" 1
653 1 39 ASN HB2 1 41 LYS QD . . 5.160 4.406 3.508 4.958 . 0 0 "[ . 1 . 2]" 1
654 1 39 ASN HB2 1 41 LYS QG . . 4.450 3.312 2.811 4.178 . 0 0 "[ . 1 . 2]" 1
655 1 39 ASN HB3 1 40 VAL H . . 3.820 3.278 2.823 3.937 0.117 6 0 "[ . 1 . 2]" 1
656 1 39 ASN HB3 1 41 LYS H . . 3.810 3.214 2.754 3.655 . 0 0 "[ . 1 . 2]" 1
657 1 39 ASN HB3 1 41 LYS QB . . 5.340 4.475 4.074 4.863 . 0 0 "[ . 1 . 2]" 1
658 1 39 ASN HB3 1 41 LYS QG . . 4.330 2.495 2.105 2.949 . 0 0 "[ . 1 . 2]" 1
659 1 39 ASN HB3 1 42 ASP H . . 3.360 3.447 3.018 4.072 0.712 3 1 "[ + . 1 . 2]" 1
660 1 40 VAL H 1 40 VAL HB . . 3.650 3.644 3.567 3.672 0.022 12 0 "[ . 1 . 2]" 1
661 1 40 VAL H 1 40 VAL QG . . 2.930 1.959 1.857 1.997 . 0 0 "[ . 1 . 2]" 1
662 1 40 VAL H 1 41 LYS H . . 3.610 2.905 2.771 3.054 . 0 0 "[ . 1 . 2]" 1
663 1 40 VAL H 1 43 GLN HE21 . . 4.620 3.721 3.552 4.148 . 0 0 "[ . 1 . 2]" 1
664 1 40 VAL HA 1 40 VAL QG . . 2.870 2.315 2.283 2.383 . 0 0 "[ . 1 . 2]" 1
665 1 40 VAL HA 1 42 ASP H . . 4.780 3.963 3.630 4.310 . 0 0 "[ . 1 . 2]" 1
666 1 40 VAL HA 1 43 GLN H . . 4.560 3.352 3.176 3.542 . 0 0 "[ . 1 . 2]" 1
667 1 40 VAL HA 1 43 GLN QB . . 4.290 4.150 4.082 4.486 0.196 3 0 "[ . 1 . 2]" 1
668 1 40 VAL HA 1 43 GLN HE21 . . 3.960 2.673 2.458 3.201 . 0 0 "[ . 1 . 2]" 1
669 1 40 VAL HA 1 43 GLN HE22 . . 4.380 3.489 3.286 3.766 . 0 0 "[ . 1 . 2]" 1
670 1 40 VAL HA 1 43 GLN QG . . 4.230 2.044 1.990 2.288 . 0 0 "[ . 1 . 2]" 1
671 1 40 VAL HB 1 41 LYS H . . 3.780 3.944 3.865 4.370 0.590 3 1 "[ + . 1 . 2]" 1
672 1 40 VAL HB 1 43 GLN QG . . 5.500 3.777 3.551 4.094 . 0 0 "[ . 1 . 2]" 1
673 1 40 VAL QG 1 41 LYS H . . 3.470 2.440 2.269 2.920 . 0 0 "[ . 1 . 2]" 1
674 1 40 VAL QG 1 41 LYS HA . . 3.640 3.584 3.492 3.688 0.048 3 0 "[ . 1 . 2]" 1
675 1 40 VAL QG 1 41 LYS QB . . 4.060 3.410 3.225 3.636 . 0 0 "[ . 1 . 2]" 1
676 1 40 VAL QG 1 43 GLN HE21 . . 3.750 2.754 2.646 3.150 . 0 0 "[ . 1 . 2]" 1
677 1 41 LYS H 1 41 LYS QB . . 3.570 2.510 2.384 2.659 . 0 0 "[ . 1 . 2]" 1
678 1 41 LYS H 1 41 LYS QG . . 3.440 2.273 1.884 2.453 . 0 0 "[ . 1 . 2]" 1
679 1 41 LYS H 1 42 ASP H . . 3.730 2.782 2.498 2.935 . 0 0 "[ . 1 . 2]" 1
680 1 41 LYS H 1 43 GLN H . . 4.830 4.371 4.252 4.533 . 0 0 "[ . 1 . 2]" 1
681 1 41 LYS HA 1 43 GLN H . . 4.510 4.522 4.068 4.837 0.327 3 0 "[ . 1 . 2]" 1
682 1 41 LYS QB 1 41 LYS QD . . 3.310 2.340 2.108 2.704 . 0 0 "[ . 1 . 2]" 1
683 1 41 LYS QB 1 42 ASP H . . 3.760 3.661 3.503 3.859 0.099 3 0 "[ . 1 . 2]" 1
684 1 41 LYS HB2 1 42 ASP H . . 4.320 4.063 3.776 4.355 0.035 3 0 "[ . 1 . 2]" 1
685 1 41 LYS HB3 1 42 ASP H . . 4.320 4.168 3.983 4.308 . 0 0 "[ . 1 . 2]" 1
686 1 41 LYS QD 1 42 ASP HA . . 5.410 4.493 2.971 5.792 0.382 3 0 "[ . 1 . 2]" 1
687 1 41 LYS QG 1 42 ASP HA . . 4.590 3.929 3.302 4.550 . 0 0 "[ . 1 . 2]" 1
688 1 41 LYS HG2 1 42 ASP H . . 4.240 3.454 2.431 4.302 0.062 5 0 "[ . 1 . 2]" 1
689 1 41 LYS HG3 1 42 ASP H . . 4.240 2.655 2.305 3.425 . 0 0 "[ . 1 . 2]" 1
690 1 42 ASP H 1 42 ASP HB2 . . 3.800 2.384 2.302 2.438 . 0 0 "[ . 1 . 2]" 1
691 1 42 ASP H 1 42 ASP HB3 . . 3.800 3.583 2.957 3.654 . 0 0 "[ . 1 . 2]" 1
692 1 42 ASP H 1 43 GLN H . . 3.270 2.452 2.149 2.573 . 0 0 "[ . 1 . 2]" 1
693 1 42 ASP QB 1 43 GLN QB . . 4.280 4.206 3.994 4.334 0.054 17 0 "[ . 1 . 2]" 1
694 1 43 GLN H 1 43 GLN QB . . 3.250 2.949 2.864 3.110 . 0 0 "[ . 1 . 2]" 1
695 1 43 GLN H 1 43 GLN QG . . 3.530 2.021 1.939 2.104 . 0 0 "[ . 1 . 2]" 1
696 1 43 GLN H 1 44 SER H . . 5.390 4.631 4.382 4.710 . 0 0 "[ . 1 . 2]" 1
697 1 43 GLN H 1 78 LEU QD . . 5.250 4.351 3.835 4.810 . 0 0 "[ . 1 . 2]" 1
698 1 43 GLN HA 1 44 SER H . . 3.080 2.257 2.159 2.381 . 0 0 "[ . 1 . 2]" 1
699 1 43 GLN HA 1 44 SER QB . . 4.550 4.029 3.663 4.691 0.141 3 0 "[ . 1 . 2]" 1
700 1 43 GLN HA 1 78 LEU QB . . 5.030 3.642 2.855 4.565 . 0 0 "[ . 1 . 2]" 1
701 1 43 GLN HA 1 78 LEU QD . . 3.720 2.144 1.992 2.458 . 0 0 "[ . 1 . 2]" 1
702 1 43 GLN HA 1 78 LEU HG . . 3.720 2.817 2.294 4.658 0.938 3 1 "[ + . 1 . 2]" 1
703 1 43 GLN QB 1 44 SER H . . 3.720 2.702 2.354 3.657 . 0 0 "[ . 1 . 2]" 1
704 1 43 GLN QB 1 74 LEU QD . . 4.910 2.997 2.321 3.505 . 0 0 "[ . 1 . 2]" 1
705 1 43 GLN QB 1 78 LEU QB . . 4.120 3.924 3.399 4.318 0.198 3 0 "[ . 1 . 2]" 1
706 1 43 GLN QB 1 78 LEU QD . . 3.440 2.634 1.987 3.272 . 0 0 "[ . 1 . 2]" 1
707 1 43 GLN QB 1 78 LEU HG . . 3.640 3.724 2.731 5.423 1.783 3 3 "[ + . - 1 . * 2]" 1
708 1 44 SER H 1 44 SER QB . . 3.320 2.735 2.488 2.983 . 0 0 "[ . 1 . 2]" 1
709 1 44 SER H 1 45 LEU QD . . 5.300 4.104 3.331 5.085 . 0 0 "[ . 1 . 2]" 1
710 1 44 SER H 1 75 GLU H . . 4.040 3.686 3.236 4.081 0.041 3 0 "[ . 1 . 2]" 1
711 1 44 SER H 1 75 GLU QB . . 4.170 3.440 2.545 4.230 0.060 5 0 "[ . 1 . 2]" 1
712 1 44 SER H 1 78 LEU QD . . 3.320 2.157 1.671 3.437 0.117 8 0 "[ . 1 . 2]" 1
713 1 44 SER HA 1 45 LEU H . . 3.190 2.276 2.197 2.392 . 0 0 "[ . 1 . 2]" 1
714 1 44 SER QB 1 45 LEU H . . 4.200 3.258 2.499 3.704 . 0 0 "[ . 1 . 2]" 1
715 1 44 SER QB 1 75 GLU H . . 4.340 3.925 3.483 4.311 . 0 0 "[ . 1 . 2]" 1
716 1 44 SER QB 1 75 GLU HB2 . . 3.940 2.877 2.059 3.970 0.030 9 0 "[ . 1 . 2]" 1
717 1 44 SER QB 1 75 GLU QB . . 3.440 2.466 2.038 2.891 . 0 0 "[ . 1 . 2]" 1
718 1 44 SER QB 1 75 GLU HB3 . . 3.940 3.041 2.302 3.975 0.035 12 0 "[ . 1 . 2]" 1
719 1 44 SER QB 1 75 GLU QG . . 4.130 2.981 2.077 3.962 . 0 0 "[ . 1 . 2]" 1
720 1 44 SER QB 1 78 LEU QD . . 4.240 3.151 2.005 4.591 0.351 8 0 "[ . 1 . 2]" 1
721 1 45 LEU H 1 45 LEU QB . . 3.220 2.586 2.493 2.714 . 0 0 "[ . 1 . 2]" 1
722 1 45 LEU H 1 45 LEU MD1 . . 5.290 4.022 2.878 4.460 . 0 0 "[ . 1 . 2]" 1
723 1 45 LEU H 1 45 LEU QD . . 4.600 3.455 2.698 4.020 . 0 0 "[ . 1 . 2]" 1
724 1 45 LEU H 1 45 LEU MD2 . . 5.290 3.876 2.754 4.639 . 0 0 "[ . 1 . 2]" 1
725 1 45 LEU HA 1 45 LEU QD . . 3.350 2.206 2.118 3.052 . 0 0 "[ . 1 . 2]" 1
726 1 45 LEU HA 1 45 LEU HG . . 4.220 3.167 2.346 3.757 . 0 0 "[ . 1 . 2]" 1
727 1 45 LEU HA 1 46 LYS H . . 3.160 2.174 2.109 2.237 . 0 0 "[ . 1 . 2]" 1
728 1 45 LEU QD 1 46 LYS H . . 3.790 3.357 2.655 3.625 . 0 0 "[ . 1 . 2]" 1
729 1 45 LEU QD 1 72 LEU HB2 . . 3.600 2.933 2.367 4.025 0.425 3 0 "[ . 1 . 2]" 1
730 1 45 LEU QD 1 72 LEU HB3 . . 3.730 2.805 2.299 3.709 . 0 0 "[ . 1 . 2]" 1
731 1 45 LEU QD 1 73 HIS QB . . 5.440 4.674 4.190 4.987 . 0 0 "[ . 1 . 2]" 1
732 1 46 LYS H 1 46 LYS HB2 . . 3.580 2.546 2.344 2.813 . 0 0 "[ . 1 . 2]" 1
733 1 46 LYS H 1 46 LYS QG . . 3.760 3.175 2.809 3.934 0.174 14 0 "[ . 1 . 2]" 1
734 1 46 LYS H 1 47 PHE H . . 4.560 4.498 4.439 4.572 0.012 8 0 "[ . 1 . 2]" 1
735 1 46 LYS H 1 73 HIS QB . . 4.620 3.222 2.963 3.534 . 0 0 "[ . 1 . 2]" 1
736 1 46 LYS HA 1 46 LYS QG . . 3.570 2.388 2.232 2.510 . 0 0 "[ . 1 . 2]" 1
737 1 46 LYS HA 1 47 PHE H . . 3.240 2.169 2.075 2.281 . 0 0 "[ . 1 . 2]" 1
738 1 46 LYS HA 1 47 PHE QB . . 4.740 4.092 3.736 4.619 . 0 0 "[ . 1 . 2]" 1
739 1 46 LYS HA 1 51 GLU HA . . 3.640 2.392 2.119 2.657 . 0 0 "[ . 1 . 2]" 1
740 1 46 LYS HA 1 52 MET H . . 4.170 2.924 2.456 3.247 . 0 0 "[ . 1 . 2]" 1
741 1 46 LYS HA 1 52 MET HG2 . . 4.530 4.141 2.625 4.612 0.082 3 0 "[ . 1 . 2]" 1
742 1 46 LYS HA 1 52 MET HG3 . . 4.530 3.203 2.454 4.558 0.028 18 0 "[ . 1 . 2]" 1
743 1 46 LYS HB2 1 46 LYS QE . . 3.570 3.761 2.245 4.237 0.667 4 3 "[ +* 1- . 2]" 1
744 1 46 LYS HB2 1 47 PHE H . . 4.340 3.960 3.679 4.110 . 0 0 "[ . 1 . 2]" 1
745 1 46 LYS HB2 1 49 GLY H . . 5.500 4.978 4.063 5.485 . 0 0 "[ . 1 . 2]" 1
746 1 46 LYS HB2 1 73 HIS H . . 4.460 3.706 3.221 4.128 . 0 0 "[ . 1 . 2]" 1
747 1 46 LYS HB2 1 73 HIS QB . . 3.910 2.306 2.056 2.644 . 0 0 "[ . 1 . 2]" 1
748 1 46 LYS HB3 1 47 PHE H . . 3.560 2.752 2.575 2.894 . 0 0 "[ . 1 . 2]" 1
749 1 46 LYS HB3 1 49 GLY H . . 4.210 3.645 2.978 4.253 0.043 19 0 "[ . 1 . 2]" 1
750 1 46 LYS HB3 1 49 GLY QA . . 4.260 3.701 2.815 4.284 0.024 5 0 "[ . 1 . 2]" 1
751 1 46 LYS HB3 1 50 ASN H . . 4.090 3.772 3.107 4.094 0.004 12 0 "[ . 1 . 2]" 1
752 1 46 LYS HB3 1 73 HIS QB . . 4.770 3.464 3.303 3.793 . 0 0 "[ . 1 . 2]" 1
753 1 46 LYS QD 1 51 GLU QG . . 4.250 3.627 2.474 4.231 . 0 0 "[ . 1 . 2]" 1
754 1 46 LYS HD2 1 51 GLU QG . . 4.970 4.121 2.853 5.046 0.076 20 0 "[ . 1 . 2]" 1
755 1 46 LYS HD3 1 51 GLU QG . . 4.970 4.211 2.569 4.991 0.021 1 0 "[ . 1 . 2]" 1
756 1 46 LYS QE 1 51 GLU QG . . 4.230 2.691 2.054 3.997 . 0 0 "[ . 1 . 2]" 1
757 1 46 LYS QE 1 73 HIS QB . . 3.620 5.040 2.814 5.936 2.316 7 17 "[* ***+****** -*****]" 1
758 1 46 LYS QG 1 47 PHE H . . 4.230 3.664 3.374 4.099 . 0 0 "[ . 1 . 2]" 1
759 1 46 LYS QG 1 51 GLU HA . . 3.340 2.274 2.141 2.557 . 0 0 "[ . 1 . 2]" 1
760 1 46 LYS QG 1 51 GLU QB . . 3.850 3.498 2.626 3.852 0.002 15 0 "[ . 1 . 2]" 1
761 1 46 LYS QG 1 52 MET H . . 3.750 3.875 3.591 4.301 0.551 8 1 "[ . + 1 . 2]" 1
762 1 47 PHE H 1 47 PHE HB2 . . 3.850 3.560 3.222 4.005 0.155 7 0 "[ . 1 . 2]" 1
763 1 47 PHE H 1 47 PHE QB . . 3.270 2.821 2.553 3.253 . 0 0 "[ . 1 . 2]" 1
764 1 47 PHE H 1 47 PHE HB3 . . 3.850 2.963 2.666 3.441 . 0 0 "[ . 1 . 2]" 1
765 1 47 PHE H 1 47 PHE QD . . 4.910 4.190 2.774 4.508 . 0 0 "[ . 1 . 2]" 1
766 1 47 PHE H 1 48 ALA H . . 5.500 4.295 4.062 4.359 . 0 0 "[ . 1 . 2]" 1
767 1 47 PHE H 1 50 ASN H . . 3.600 3.069 2.867 3.357 . 0 0 "[ . 1 . 2]" 1
768 1 47 PHE H 1 51 GLU HA . . 4.280 3.840 3.531 4.146 . 0 0 "[ . 1 . 2]" 1
769 1 47 PHE H 1 52 MET H . . 4.780 4.306 3.674 4.868 0.088 3 0 "[ . 1 . 2]" 1
770 1 47 PHE H 1 52 MET ME . . 4.790 4.925 4.235 5.102 0.312 6 0 "[ . 1 . 2]" 1
771 1 47 PHE H 1 52 MET QG . . 4.010 3.265 2.851 3.700 . 0 0 "[ . 1 . 2]" 1
772 1 47 PHE HA 1 47 PHE QD . . 3.840 2.912 2.317 3.775 . 0 0 "[ . 1 . 2]" 1
773 1 47 PHE HA 1 72 LEU QD . . 4.250 3.626 2.975 4.038 . 0 0 "[ . 1 . 2]" 1
774 1 47 PHE QB 1 48 ALA MB . . 4.300 4.079 3.673 4.312 0.012 17 0 "[ . 1 . 2]" 1
775 1 47 PHE QB 1 52 MET ME . . 4.040 2.941 2.180 3.823 . 0 0 "[ . 1 . 2]" 1
776 1 47 PHE QB 1 52 MET QG . . 4.430 2.893 2.128 4.303 . 0 0 "[ . 1 . 2]" 1
777 1 47 PHE QB 1 72 LEU QD . . 3.480 2.171 2.016 2.398 . 0 0 "[ . 1 . 2]" 1
778 1 47 PHE QD 1 48 ALA MB . . 4.710 3.160 2.570 3.738 . 0 0 "[ . 1 . 2]" 1
779 1 47 PHE QD 1 63 ILE MD . . 4.470 4.542 3.525 5.503 1.033 3 8 "[* +*.- * * .* * 2]" 1
780 1 47 PHE QD 1 72 LEU HA . . 4.690 3.873 2.633 4.735 0.045 7 0 "[ . 1 . 2]" 1
781 1 47 PHE QD 1 72 LEU QD . . 3.870 2.746 2.203 3.576 . 0 0 "[ . 1 . 2]" 1
782 1 47 PHE QE 1 48 ALA MB . . 5.160 3.324 2.724 4.215 . 0 0 "[ . 1 . 2]" 1
783 1 48 ALA HA 1 49 GLY HA2 . . 5.070 4.766 4.513 4.938 . 0 0 "[ . 1 . 2]" 1
784 1 48 ALA HA 1 49 GLY QA . . 4.260 4.099 3.911 4.201 . 0 0 "[ . 1 . 2]" 1
785 1 48 ALA HA 1 49 GLY HA3 . . 5.070 4.470 4.288 4.573 . 0 0 "[ . 1 . 2]" 1
786 1 48 ALA MB 1 49 GLY H . . 4.380 3.723 3.624 3.777 . 0 0 "[ . 1 . 2]" 1
787 1 48 ALA MB 1 49 GLY QA . . 5.190 4.284 4.206 4.348 . 0 0 "[ . 1 . 2]" 1
788 1 48 ALA MB 1 50 ASN H . . 4.380 3.661 3.345 4.245 . 0 0 "[ . 1 . 2]" 1
789 1 48 ALA MB 1 50 ASN HD21 . . 5.010 3.278 2.236 4.165 . 0 0 "[ . 1 . 2]" 1
790 1 48 ALA MB 1 50 ASN QD . . 4.320 3.080 2.088 3.972 . 0 0 "[ . 1 . 2]" 1
791 1 48 ALA MB 1 50 ASN HD22 . . 5.010 3.853 2.504 5.041 0.031 8 0 "[ . 1 . 2]" 1
792 1 49 GLY H 1 50 ASN H . . 4.020 2.772 2.600 2.995 . 0 0 "[ . 1 . 2]" 1
793 1 50 ASN H 1 50 ASN HB2 . . 4.080 2.934 2.400 3.989 . 0 0 "[ . 1 . 2]" 1
794 1 50 ASN H 1 50 ASN QB . . 3.200 2.667 2.367 3.138 . 0 0 "[ . 1 . 2]" 1
795 1 50 ASN H 1 50 ASN HB3 . . 4.080 3.575 2.962 3.875 . 0 0 "[ . 1 . 2]" 1
796 1 50 ASN H 1 50 ASN QD . . 4.560 3.073 2.060 3.862 . 0 0 "[ . 1 . 2]" 1
797 1 51 GLU HA 1 52 MET H . . 3.100 2.176 2.099 2.252 . 0 0 "[ . 1 . 2]" 1
798 1 51 GLU HA 1 52 MET HA . . 4.410 4.425 4.348 4.458 0.048 3 0 "[ . 1 . 2]" 1
799 1 51 GLU HA 1 52 MET QB . . 5.190 4.485 4.321 4.655 . 0 0 "[ . 1 . 2]" 1
800 1 51 GLU QB 1 52 MET H . . 4.030 3.162 2.616 3.820 . 0 0 "[ . 1 . 2]" 1
801 1 52 MET H 1 52 MET QB . . 3.260 2.496 2.386 2.632 . 0 0 "[ . 1 . 2]" 1
802 1 52 MET H 1 52 MET HG2 . . 4.290 3.326 2.200 3.850 . 0 0 "[ . 1 . 2]" 1
803 1 52 MET H 1 52 MET QG . . 3.570 2.377 2.106 2.727 . 0 0 "[ . 1 . 2]" 1
804 1 52 MET H 1 52 MET HG3 . . 4.290 2.644 2.128 3.890 . 0 0 "[ . 1 . 2]" 1
805 1 52 MET H 1 53 ILE H . . 5.080 4.623 4.415 4.709 . 0 0 "[ . 1 . 2]" 1
806 1 52 MET HA 1 52 MET HG2 . . 4.140 2.685 2.298 3.434 . 0 0 "[ . 1 . 2]" 1
807 1 52 MET HA 1 52 MET QG . . 3.480 2.556 2.261 3.224 . 0 0 "[ . 1 . 2]" 1
808 1 52 MET HA 1 52 MET HG3 . . 4.140 3.275 2.943 3.909 . 0 0 "[ . 1 . 2]" 1
809 1 52 MET HA 1 53 ILE H . . 3.350 2.249 2.148 2.334 . 0 0 "[ . 1 . 2]" 1
810 1 52 MET HA 1 61 TYR QE . . 4.700 3.362 3.003 3.676 . 0 0 "[ . 1 . 2]" 1
811 1 52 MET QB 1 53 ILE HA . . 5.340 4.410 4.140 4.747 . 0 0 "[ . 1 . 2]" 1
812 1 52 MET ME 1 53 ILE H . . 5.140 5.084 4.688 5.834 0.694 3 1 "[ + . 1 . 2]" 1
813 1 52 MET ME 1 63 ILE MG . . 3.790 3.873 3.604 4.620 0.830 3 1 "[ + . 1 . 2]" 1
814 1 53 ILE H 1 53 ILE HB . . 3.320 2.408 2.283 2.805 . 0 0 "[ . 1 . 2]" 1
815 1 53 ILE H 1 53 ILE MD . . 4.370 3.818 3.295 4.205 . 0 0 "[ . 1 . 2]" 1
816 1 53 ILE H 1 53 ILE HG12 . . 4.130 3.005 2.411 4.090 . 0 0 "[ . 1 . 2]" 1
817 1 53 ILE H 1 53 ILE QG . . 3.280 2.630 2.083 3.020 . 0 0 "[ . 1 . 2]" 1
818 1 53 ILE H 1 53 ILE HG13 . . 4.130 3.525 2.112 4.144 0.014 13 0 "[ . 1 . 2]" 1
819 1 53 ILE H 1 53 ILE MG . . 3.860 3.762 3.695 3.903 0.043 17 0 "[ . 1 . 2]" 1
820 1 53 ILE H 1 56 LYS H . . 4.990 4.770 4.603 5.026 0.036 3 0 "[ . 1 . 2]" 1
821 1 53 ILE H 1 56 LYS HB2 . . 4.620 3.868 3.643 4.181 . 0 0 "[ . 1 . 2]" 1
822 1 53 ILE H 1 61 TYR QE . . 4.130 2.707 2.325 3.468 . 0 0 "[ . 1 . 2]" 1
823 1 53 ILE HA 1 53 ILE MD . . 3.890 2.615 2.067 3.916 0.026 17 0 "[ . 1 . 2]" 1
824 1 53 ILE HA 1 53 ILE QG . . 3.680 2.715 2.169 2.952 . 0 0 "[ . 1 . 2]" 1
825 1 53 ILE HA 1 53 ILE MG . . 3.530 2.513 2.283 2.620 . 0 0 "[ . 1 . 2]" 1
826 1 53 ILE HA 1 54 ASN H . . 3.080 2.101 2.024 2.181 . 0 0 "[ . 1 . 2]" 1
827 1 53 ILE HB 1 53 ILE MD . . 3.490 3.036 2.295 3.306 . 0 0 "[ . 1 . 2]" 1
828 1 53 ILE MD 1 53 ILE MG . . 2.950 2.103 1.982 2.158 . 0 0 "[ . 1 . 2]" 1
829 1 53 ILE MD 1 55 GLN H . . 4.790 4.614 4.520 5.394 0.604 3 1 "[ + . 1 . 2]" 1
830 1 53 ILE QG 1 53 ILE MG . . 2.840 2.328 2.233 2.512 . 0 0 "[ . 1 . 2]" 1
831 1 53 ILE HG12 1 53 ILE MG . . 3.380 3.014 2.344 3.257 . 0 0 "[ . 1 . 2]" 1
832 1 53 ILE HG13 1 53 ILE MG . . 3.380 2.618 2.276 3.272 . 0 0 "[ . 1 . 2]" 1
833 1 53 ILE MG 1 54 ASN H . . 3.710 2.705 2.489 2.896 . 0 0 "[ . 1 . 2]" 1
834 1 53 ILE MG 1 54 ASN QB . . 4.070 4.091 3.753 4.184 0.114 3 0 "[ . 1 . 2]" 1
835 1 53 ILE MG 1 55 GLN H . . 3.280 2.088 1.730 2.360 . 0 0 "[ . 1 . 2]" 1
836 1 53 ILE MG 1 55 GLN QB . . 4.590 2.498 2.159 2.901 . 0 0 "[ . 1 . 2]" 1
837 1 53 ILE MG 1 56 LYS H . . 3.730 2.540 2.193 3.735 0.005 17 0 "[ . 1 . 2]" 1
838 1 53 ILE MG 1 56 LYS QE . . 4.880 3.732 2.911 4.363 . 0 0 "[ . 1 . 2]" 1
839 1 53 ILE MG 1 56 LYS HG3 . . 4.430 3.737 3.139 4.526 0.096 17 0 "[ . 1 . 2]" 1
840 1 54 ASN H 1 54 ASN HB2 . . 3.880 3.322 2.388 3.586 . 0 0 "[ . 1 . 2]" 1
841 1 54 ASN H 1 54 ASN QB . . 3.310 2.397 2.203 2.689 . 0 0 "[ . 1 . 2]" 1
842 1 54 ASN H 1 54 ASN HB3 . . 3.880 2.659 2.227 3.585 . 0 0 "[ . 1 . 2]" 1
843 1 54 ASN H 1 55 GLN H . . 4.220 2.956 2.610 3.289 . 0 0 "[ . 1 . 2]" 1
844 1 54 ASN HA 1 56 LYS H . . 5.130 4.015 3.764 4.259 . 0 0 "[ . 1 . 2]" 1
845 1 54 ASN QB 1 55 GLN H . . 3.790 3.314 2.567 3.581 . 0 0 "[ . 1 . 2]" 1
846 1 54 ASN QD 1 55 GLN H . . 4.470 3.998 2.959 4.531 0.061 5 0 "[ . 1 . 2]" 1
847 1 55 GLN H 1 55 GLN HB2 . . 3.810 2.452 2.272 2.771 . 0 0 "[ . 1 . 2]" 1
848 1 55 GLN H 1 55 GLN QB . . 3.130 2.412 2.247 2.686 . 0 0 "[ . 1 . 2]" 1
849 1 55 GLN H 1 55 GLN HB3 . . 3.810 3.595 3.543 3.625 . 0 0 "[ . 1 . 2]" 1
850 1 55 GLN H 1 55 GLN QG . . 3.530 2.454 2.100 3.082 . 0 0 "[ . 1 . 2]" 1
851 1 55 GLN H 1 56 LYS H . . 3.430 2.851 2.715 2.964 . 0 0 "[ . 1 . 2]" 1
852 1 55 GLN HA 1 55 GLN QG . . 3.530 2.692 2.300 3.275 . 0 0 "[ . 1 . 2]" 1
853 1 56 LYS H 1 56 LYS HB2 . . 3.230 2.401 2.287 2.520 . 0 0 "[ . 1 . 2]" 1
854 1 56 LYS H 1 56 LYS HG2 . . 3.870 2.798 2.421 3.081 . 0 0 "[ . 1 . 2]" 1
855 1 56 LYS H 1 56 LYS HG3 . . 4.380 3.966 3.712 4.190 . 0 0 "[ . 1 . 2]" 1
856 1 56 LYS H 1 57 THR H . . 4.610 4.597 4.553 4.652 0.042 3 0 "[ . 1 . 2]" 1
857 1 56 LYS HA 1 56 LYS QD . . 4.500 2.141 2.053 2.287 . 0 0 "[ . 1 . 2]" 1
858 1 56 LYS HA 1 56 LYS HG2 . . 3.610 3.003 2.837 3.128 . 0 0 "[ . 1 . 2]" 1
859 1 56 LYS HA 1 56 LYS HG3 . . 3.790 3.744 3.701 3.823 0.033 3 0 "[ . 1 . 2]" 1
860 1 56 LYS HA 1 57 THR H . . 3.380 2.289 2.195 2.583 . 0 0 "[ . 1 . 2]" 1
861 1 56 LYS HA 1 57 THR MG . . 4.350 3.953 3.483 4.270 . 0 0 "[ . 1 . 2]" 1
862 1 56 LYS HB2 1 56 LYS QD . . 3.530 3.363 3.336 3.394 . 0 0 "[ . 1 . 2]" 1
863 1 56 LYS HB2 1 57 THR H . . 3.790 3.756 3.519 3.906 0.116 3 0 "[ . 1 . 2]" 1
864 1 56 LYS HB2 1 57 THR HA . . 5.500 5.099 4.959 5.223 . 0 0 "[ . 1 . 2]" 1
865 1 56 LYS HB2 1 60 ASP QB . . 4.700 4.192 3.672 4.470 . 0 0 "[ . 1 . 2]" 1
866 1 56 LYS HB2 1 61 TYR QE . . 4.020 2.246 2.149 2.435 . 0 0 "[ . 1 . 2]" 1
867 1 56 LYS HB3 1 57 THR H . . 3.360 2.489 2.149 2.801 . 0 0 "[ . 1 . 2]" 1
868 1 56 LYS HB3 1 57 THR MG . . 4.430 4.035 3.773 4.220 . 0 0 "[ . 1 . 2]" 1
869 1 56 LYS HB3 1 60 ASP QB . . 4.020 2.658 2.207 2.951 . 0 0 "[ . 1 . 2]" 1
870 1 56 LYS HB3 1 61 TYR QE . . 4.050 3.166 2.742 3.534 . 0 0 "[ . 1 . 2]" 1
871 1 56 LYS QD 1 57 THR H . . 4.800 3.132 2.824 3.547 . 0 0 "[ . 1 . 2]" 1
872 1 56 LYS QD 1 57 THR HA . . 5.350 5.621 5.394 5.897 0.547 3 1 "[ + . 1 . 2]" 1
873 1 56 LYS QD 1 57 THR HB . . 5.500 5.378 5.048 5.737 0.237 3 0 "[ . 1 . 2]" 1
874 1 56 LYS QD 1 57 THR MG . . 3.490 3.968 3.459 4.488 0.998 3 11 "[ *+ . - *1 **** ***2]" 1
875 1 56 LYS QD 1 60 ASP QB . . 4.800 2.764 2.265 3.313 . 0 0 "[ . 1 . 2]" 1
876 1 56 LYS HG2 1 57 THR H . . 4.450 4.735 4.605 4.955 0.505 3 1 "[ + . 1 . 2]" 1
877 1 56 LYS HG3 1 57 THR H . . 4.400 4.696 4.402 5.069 0.669 3 1 "[ + . 1 . 2]" 1
878 1 56 LYS HG3 1 60 ASP QB . . 4.250 4.049 3.521 4.521 0.271 7 0 "[ . 1 . 2]" 1
879 1 57 THR H 1 57 THR MG . . 3.620 2.188 1.940 2.385 . 0 0 "[ . 1 . 2]" 1
880 1 57 THR H 1 60 ASP H . . 4.270 3.823 3.508 4.129 . 0 0 "[ . 1 . 2]" 1
881 1 57 THR H 1 60 ASP QB . . 3.630 2.595 2.107 3.043 . 0 0 "[ . 1 . 2]" 1
882 1 57 THR HA 1 57 THR MG . . 3.450 3.242 3.216 3.277 . 0 0 "[ . 1 . 2]" 1
883 1 57 THR HA 1 58 LEU H . . 3.520 2.285 2.212 2.452 . 0 0 "[ . 1 . 2]" 1
884 1 57 THR HA 1 58 LEU HA . . 5.260 4.326 4.234 4.437 . 0 0 "[ . 1 . 2]" 1
885 1 57 THR HA 1 58 LEU HG . . 5.500 4.494 3.903 5.516 0.016 6 0 "[ . 1 . 2]" 1
886 1 57 THR HA 1 59 SER H . . 4.870 4.376 3.851 4.854 . 0 0 "[ . 1 . 2]" 1
887 1 57 THR HB 1 58 LEU H . . 3.590 3.774 3.663 3.924 0.334 3 0 "[ . 1 . 2]" 1
888 1 57 THR HB 1 58 LEU HA . . 4.980 6.109 6.043 6.168 1.188 8 20 [****-**+************] 1
889 1 57 THR HB 1 58 LEU QB . . 4.980 5.422 5.319 5.837 0.857 3 2 "[ + . 1 . -]" 1
890 1 57 THR HB 1 58 LEU HG . . 5.500 6.401 5.582 7.561 2.061 6 11 "[ * **+ * 1* - ****]" 1
891 1 57 THR HB 1 59 SER H . . 4.040 4.647 4.008 5.055 1.015 12 14 "[ ***.**- 1*+* * ****]" 1
892 1 57 THR HB 1 60 ASP H . . 5.260 4.660 4.485 4.816 . 0 0 "[ . 1 . 2]" 1
893 1 57 THR MG 1 58 LEU H . . 4.240 3.487 3.051 4.008 . 0 0 "[ . 1 . 2]" 1
894 1 57 THR MG 1 59 SER H . . 4.740 2.600 2.192 3.088 . 0 0 "[ . 1 . 2]" 1
895 1 57 THR MG 1 59 SER QB . . 4.550 3.027 2.069 3.695 . 0 0 "[ . 1 . 2]" 1
896 1 58 LEU H 1 58 LEU QB . . 3.170 2.238 2.089 2.487 . 0 0 "[ . 1 . 2]" 1
897 1 58 LEU H 1 58 LEU MD1 . . 4.060 3.112 2.105 3.634 . 0 0 "[ . 1 . 2]" 1
898 1 58 LEU H 1 58 LEU HG . . 3.240 2.812 2.134 3.873 0.633 6 4 "[ -.+ 1* . * 2]" 1
899 1 58 LEU H 1 59 SER H . . 3.630 2.832 2.618 2.952 . 0 0 "[ . 1 . 2]" 1
900 1 58 LEU QB 1 59 SER H . . 3.360 2.557 2.335 2.828 . 0 0 "[ . 1 . 2]" 1
901 1 58 LEU QB 1 59 SER QB . . 5.340 4.011 3.657 4.434 . 0 0 "[ . 1 . 2]" 1
902 1 58 LEU QB 1 63 ILE HB . . 4.570 2.550 2.291 2.846 . 0 0 "[ . 1 . 2]" 1
903 1 58 LEU QB 1 63 ILE MG . . 4.040 3.471 3.133 3.829 . 0 0 "[ . 1 . 2]" 1
904 1 58 LEU HB2 1 59 SER H . . 4.090 2.647 2.386 2.954 . 0 0 "[ . 1 . 2]" 1
905 1 58 LEU HB2 1 63 ILE MG . . 4.660 4.938 4.617 5.360 0.700 3 1 "[ + . 1 . 2]" 1
906 1 58 LEU HB3 1 59 SER H . . 4.090 3.407 3.163 3.742 . 0 0 "[ . 1 . 2]" 1
907 1 58 LEU HB3 1 63 ILE MG . . 4.660 3.546 3.187 3.921 . 0 0 "[ . 1 . 2]" 1
908 1 58 LEU MD1 1 63 ILE MG . . 5.030 3.823 3.395 4.322 . 0 0 "[ . 1 . 2]" 1
909 1 58 LEU MD2 1 59 SER H . . 5.460 4.764 4.548 4.973 . 0 0 "[ . 1 . 2]" 1
910 1 58 LEU MD2 1 63 ILE HB . . 4.580 2.778 2.311 3.549 . 0 0 "[ . 1 . 2]" 1
911 1 58 LEU MD2 1 63 ILE MD . . 3.450 2.586 2.016 3.890 0.440 19 0 "[ . 1 . 2]" 1
912 1 58 LEU MD2 1 63 ILE MG . . 3.660 2.413 2.057 3.122 . 0 0 "[ . 1 . 2]" 1
913 1 58 LEU HG 1 59 SER H . . 4.960 4.722 4.452 5.049 0.089 18 0 "[ . 1 . 2]" 1
914 1 59 SER H 1 59 SER QB . . 3.240 2.473 2.144 2.726 . 0 0 "[ . 1 . 2]" 1
915 1 59 SER H 1 60 ASP H . . 3.840 2.762 2.639 2.946 . 0 0 "[ . 1 . 2]" 1
916 1 59 SER HA 1 61 TYR H . . 4.250 4.046 3.311 4.325 0.075 8 0 "[ . 1 . 2]" 1
917 1 59 SER HA 1 63 ILE H . . 3.800 3.325 2.826 3.711 . 0 0 "[ . 1 . 2]" 1
918 1 59 SER QB 1 60 ASP H . . 4.350 3.379 2.706 3.940 . 0 0 "[ . 1 . 2]" 1
919 1 60 ASP H 1 60 ASP HB2 . . 3.690 2.520 2.257 2.791 . 0 0 "[ . 1 . 2]" 1
920 1 60 ASP H 1 60 ASP QB . . 3.100 2.325 2.165 2.430 . 0 0 "[ . 1 . 2]" 1
921 1 60 ASP H 1 60 ASP HB3 . . 3.690 3.043 2.344 3.664 . 0 0 "[ . 1 . 2]" 1
922 1 60 ASP QB 1 61 TYR H . . 4.110 2.945 2.422 3.588 . 0 0 "[ . 1 . 2]" 1
923 1 61 TYR H 1 61 TYR HB2 . . 3.490 2.446 2.325 2.732 . 0 0 "[ . 1 . 2]" 1
924 1 61 TYR H 1 61 TYR HB3 . . 4.020 3.655 3.563 3.804 . 0 0 "[ . 1 . 2]" 1
925 1 61 TYR H 1 61 TYR QD . . 3.670 3.159 2.338 3.841 0.171 3 0 "[ . 1 . 2]" 1
926 1 61 TYR H 1 61 TYR QE . . 5.350 5.115 4.336 5.664 0.314 3 0 "[ . 1 . 2]" 1
927 1 61 TYR H 1 62 SER H . . 3.460 2.572 2.218 2.784 . 0 0 "[ . 1 . 2]" 1
928 1 61 TYR H 1 63 ILE H . . 4.180 3.785 3.433 4.168 . 0 0 "[ . 1 . 2]" 1
929 1 61 TYR HB2 1 62 SER H . . 4.740 3.876 3.543 4.124 . 0 0 "[ . 1 . 2]" 1
930 1 61 TYR HB2 1 63 ILE H . . 4.830 3.642 3.225 3.992 . 0 0 "[ . 1 . 2]" 1
931 1 61 TYR HB2 1 63 ILE MD . . 4.370 2.269 2.154 2.509 . 0 0 "[ . 1 . 2]" 1
932 1 61 TYR HB2 1 63 ILE QG . . 4.690 2.374 2.204 2.847 . 0 0 "[ . 1 . 2]" 1
933 1 61 TYR HB3 1 62 SER H . . 4.920 4.308 4.161 4.403 . 0 0 "[ . 1 . 2]" 1
934 1 61 TYR HB3 1 63 ILE MD . . 4.350 2.637 2.403 3.122 . 0 0 "[ . 1 . 2]" 1
935 1 61 TYR QD 1 63 ILE MD . . 4.990 3.186 2.663 3.693 . 0 0 "[ . 1 . 2]" 1
936 1 62 SER H 1 62 SER QB . . 3.800 3.255 2.886 3.402 . 0 0 "[ . 1 . 2]" 1
937 1 62 SER H 1 63 ILE H . . 3.650 2.852 2.671 2.953 . 0 0 "[ . 1 . 2]" 1
938 1 63 ILE H 1 63 ILE HB . . 3.420 2.472 2.303 2.804 . 0 0 "[ . 1 . 2]" 1
939 1 63 ILE H 1 63 ILE MD . . 4.370 3.535 3.307 3.750 . 0 0 "[ . 1 . 2]" 1
940 1 63 ILE H 1 63 ILE QG . . 3.760 2.166 1.942 2.458 . 0 0 "[ . 1 . 2]" 1
941 1 63 ILE H 1 63 ILE MG . . 3.880 3.792 3.740 3.861 . 0 0 "[ . 1 . 2]" 1
942 1 63 ILE H 1 64 ILE H . . 4.670 2.971 2.550 3.915 . 0 0 "[ . 1 . 2]" 1
943 1 63 ILE HA 1 63 ILE MD . . 4.500 3.898 3.819 4.005 . 0 0 "[ . 1 . 2]" 1
944 1 63 ILE HA 1 63 ILE QG . . 4.020 2.444 2.298 2.718 . 0 0 "[ . 1 . 2]" 1
945 1 63 ILE HA 1 63 ILE MG . . 3.450 2.485 2.281 2.590 . 0 0 "[ . 1 . 2]" 1
946 1 63 ILE HA 1 64 ILE H . . 3.170 3.240 2.456 3.575 0.405 2 0 "[ . 1 . 2]" 1
947 1 63 ILE HA 1 65 ASP H . . 4.630 4.340 3.595 5.230 0.600 7 1 "[ . + 1 . 2]" 1
948 1 63 ILE HA 1 70 PHE QE . . 4.600 3.093 2.468 3.733 . 0 0 "[ . 1 . 2]" 1
949 1 63 ILE HB 1 63 ILE MD . . 3.700 2.426 2.330 2.566 . 0 0 "[ . 1 . 2]" 1
950 1 63 ILE MD 1 63 ILE MG . . 2.800 2.066 2.017 2.097 . 0 0 "[ . 1 . 2]" 1
951 1 63 ILE MD 1 72 LEU MD1 . . 4.470 2.692 2.172 3.061 . 0 0 "[ . 1 . 2]" 1
952 1 63 ILE MD 1 72 LEU QD . . 3.640 2.590 2.123 2.948 . 0 0 "[ . 1 . 2]" 1
953 1 63 ILE MD 1 72 LEU MD2 . . 4.470 3.418 2.553 3.962 . 0 0 "[ . 1 . 2]" 1
954 1 63 ILE QG 1 70 PHE QD . . 5.500 3.754 2.725 4.539 . 0 0 "[ . 1 . 2]" 1
955 1 63 ILE QG 1 70 PHE QE . . 5.500 3.888 2.703 5.019 . 0 0 "[ . 1 . 2]" 1
956 1 63 ILE MG 1 64 ILE H . . 4.110 3.913 3.475 4.147 0.037 18 0 "[ . 1 . 2]" 1
957 1 63 ILE MG 1 70 PHE QB . . 4.170 2.564 2.112 3.548 . 0 0 "[ . 1 . 2]" 1
958 1 63 ILE MG 1 70 PHE QD . . 4.240 2.948 2.242 3.577 . 0 0 "[ . 1 . 2]" 1
959 1 63 ILE MG 1 70 PHE QE . . 4.580 3.864 2.164 4.551 . 0 0 "[ . 1 . 2]" 1
960 1 63 ILE MG 1 72 LEU QD . . 4.250 2.841 2.080 3.200 . 0 0 "[ . 1 . 2]" 1
961 1 64 ILE H 1 64 ILE HB . . 4.120 2.583 2.071 2.983 . 0 0 "[ . 1 . 2]" 1
962 1 64 ILE H 1 64 ILE HG12 . . 4.270 3.281 1.931 4.511 0.241 18 0 "[ . 1 . 2]" 1
963 1 64 ILE H 1 64 ILE QG . . 3.500 2.725 1.922 3.531 0.031 18 0 "[ . 1 . 2]" 1
964 1 64 ILE H 1 64 ILE HG13 . . 4.270 3.492 2.289 4.299 0.029 3 0 "[ . 1 . 2]" 1
965 1 64 ILE H 1 65 ASP H . . 3.440 2.397 1.886 2.887 . 0 0 "[ . 1 . 2]" 1
966 1 64 ILE HB 1 64 ILE MD . . 3.380 2.798 2.228 3.296 . 0 0 "[ . 1 . 2]" 1
967 1 64 ILE HB 1 65 ASP H . . 3.830 2.966 1.949 3.502 . 0 0 "[ . 1 . 2]" 1
968 1 64 ILE MG 1 65 ASP H . . 4.700 3.671 2.587 4.286 . 0 0 "[ . 1 . 2]" 1
969 1 65 ASP H 1 65 ASP HB2 . . 3.660 2.684 2.320 3.744 0.084 10 0 "[ . 1 . 2]" 1
970 1 65 ASP H 1 65 ASP HB3 . . 3.660 3.076 2.252 3.658 . 0 0 "[ . 1 . 2]" 1
971 1 66 SER HA 1 68 GLU H . . 5.000 4.131 2.666 4.747 . 0 0 "[ . 1 . 2]" 1
972 1 67 THR H 1 67 THR MG . . 4.190 2.974 1.921 3.972 . 0 0 "[ . 1 . 2]" 1
973 1 67 THR H 1 68 GLU H . . 4.540 2.783 1.943 3.700 . 0 0 "[ . 1 . 2]" 1
974 1 67 THR HA 1 67 THR MG . . 3.300 2.541 2.190 3.243 . 0 0 "[ . 1 . 2]" 1
975 1 67 THR HB 1 68 GLU H . . 5.040 3.809 2.462 4.583 . 0 0 "[ . 1 . 2]" 1
976 1 67 THR MG 1 68 GLU H . . 4.440 3.822 2.335 4.400 . 0 0 "[ . 1 . 2]" 1
977 1 68 GLU H 1 68 GLU QB . . 3.250 2.695 2.163 3.219 . 0 0 "[ . 1 . 2]" 1
978 1 68 GLU H 1 69 GLU H . . 4.470 4.468 4.086 4.674 0.204 6 0 "[ . 1 . 2]" 1
979 1 68 GLU HA 1 68 GLU QG . . 3.590 2.940 2.259 3.536 . 0 0 "[ . 1 . 2]" 1
980 1 68 GLU HA 1 69 GLU H . . 3.120 2.290 2.111 2.625 . 0 0 "[ . 1 . 2]" 1
981 1 68 GLU HA 1 69 GLU HA . . 4.590 4.319 4.166 4.440 . 0 0 "[ . 1 . 2]" 1
982 1 68 GLU QG 1 69 GLU H . . 4.730 3.545 2.229 4.619 . 0 0 "[ . 1 . 2]" 1
983 1 69 GLU H 1 69 GLU QB . . 3.040 2.340 2.037 2.628 . 0 0 "[ . 1 . 2]" 1
984 1 69 GLU H 1 70 PHE H . . 4.730 4.605 4.041 4.701 . 0 0 "[ . 1 . 2]" 1
985 1 69 GLU HA 1 69 GLU HG2 . . 4.040 3.521 2.911 3.859 . 0 0 "[ . 1 . 2]" 1
986 1 69 GLU HA 1 69 GLU HG3 . . 4.040 3.176 2.339 4.172 0.132 5 0 "[ . 1 . 2]" 1
987 1 69 GLU HA 1 70 PHE H . . 3.120 2.208 2.108 2.434 . 0 0 "[ . 1 . 2]" 1
988 1 69 GLU QB 1 70 PHE H . . 4.240 3.242 2.439 4.018 . 0 0 "[ . 1 . 2]" 1
989 1 69 GLU QG 1 70 PHE H . . 4.130 3.411 2.286 4.093 . 0 0 "[ . 1 . 2]" 1
990 1 70 PHE H 1 70 PHE QB . . 3.480 2.386 2.195 3.195 . 0 0 "[ . 1 . 2]" 1
991 1 70 PHE H 1 70 PHE QD . . 3.890 2.729 2.238 3.547 . 0 0 "[ . 1 . 2]" 1
992 1 70 PHE HA 1 70 PHE QD . . 4.020 2.944 2.599 3.569 . 0 0 "[ . 1 . 2]" 1
993 1 70 PHE HA 1 71 THR H . . 3.170 2.138 2.035 2.371 . 0 0 "[ . 1 . 2]" 1
994 1 70 PHE QB 1 71 THR H . . 3.740 3.034 2.601 3.457 . 0 0 "[ . 1 . 2]" 1
995 1 70 PHE QB 1 71 THR HA . . 5.440 4.009 3.737 4.309 . 0 0 "[ . 1 . 2]" 1
996 1 70 PHE QB 1 71 THR HB . . 5.500 5.426 5.153 5.569 0.069 8 0 "[ . 1 . 2]" 1
997 1 70 PHE QB 1 72 LEU QD . . 5.310 2.558 2.149 3.675 . 0 0 "[ . 1 . 2]" 1
998 1 70 PHE QD 1 71 THR H . . 4.530 3.669 2.801 4.492 . 0 0 "[ . 1 . 2]" 1
999 1 70 PHE QD 1 72 LEU MD1 . . 5.460 3.584 2.348 4.697 . 0 0 "[ . 1 . 2]" 1
1000 1 70 PHE QD 1 72 LEU QD . . 4.730 3.257 2.311 4.121 . 0 0 "[ . 1 . 2]" 1
1001 1 70 PHE QD 1 72 LEU MD2 . . 5.460 3.940 3.282 4.612 . 0 0 "[ . 1 . 2]" 1
1002 1 71 THR H 1 71 THR HB . . 3.530 2.924 2.732 3.179 . 0 0 "[ . 1 . 2]" 1
1003 1 71 THR H 1 71 THR MG . . 4.200 3.976 3.881 4.078 . 0 0 "[ . 1 . 2]" 1
1004 1 71 THR HA 1 71 THR MG . . 3.470 2.229 2.165 2.353 . 0 0 "[ . 1 . 2]" 1
1005 1 71 THR HA 1 72 LEU H . . 3.080 2.096 2.033 2.161 . 0 0 "[ . 1 . 2]" 1
1006 1 71 THR HA 1 72 LEU HB2 . . 4.480 4.579 4.367 4.678 0.198 9 0 "[ . 1 . 2]" 1
1007 1 71 THR HA 1 72 LEU QD . . 5.440 2.870 2.742 3.005 . 0 0 "[ . 1 . 2]" 1
1008 1 71 THR HB 1 72 LEU H . . 5.140 4.016 3.855 4.146 . 0 0 "[ . 1 . 2]" 1
1009 1 71 THR MG 1 72 LEU H . . 3.610 2.536 2.405 2.664 . 0 0 "[ . 1 . 2]" 1
1010 1 71 THR MG 1 73 HIS QB . . 5.500 4.913 4.442 5.461 . 0 0 "[ . 1 . 2]" 1
1011 1 71 THR MG 1 73 HIS HD2 . . 5.500 4.735 3.483 5.865 0.365 3 0 "[ . 1 . 2]" 1
1012 1 72 LEU H 1 72 LEU HB2 . . 3.380 2.598 2.445 2.681 . 0 0 "[ . 1 . 2]" 1
1013 1 72 LEU H 1 72 LEU HB3 . . 4.100 3.720 3.623 3.791 . 0 0 "[ . 1 . 2]" 1
1014 1 72 LEU H 1 72 LEU QD . . 3.770 2.342 2.163 2.662 . 0 0 "[ . 1 . 2]" 1
1015 1 72 LEU H 1 72 LEU HG . . 4.230 4.218 4.043 4.403 0.173 3 0 "[ . 1 . 2]" 1
1016 1 72 LEU HA 1 72 LEU MD1 . . 4.640 2.238 2.190 2.269 . 0 0 "[ . 1 . 2]" 1
1017 1 72 LEU HA 1 72 LEU QD . . 3.310 2.204 2.153 2.233 . 0 0 "[ . 1 . 2]" 1
1018 1 72 LEU HA 1 72 LEU MD2 . . 4.640 3.305 3.147 3.404 . 0 0 "[ . 1 . 2]" 1
1019 1 72 LEU HA 1 73 HIS H . . 3.280 2.272 2.154 2.427 . 0 0 "[ . 1 . 2]" 1
1020 1 72 LEU HB2 1 73 HIS H . . 3.830 3.824 3.559 3.931 0.101 17 0 "[ . 1 . 2]" 1
1021 1 72 LEU HB3 1 72 LEU MD1 . . 3.470 2.446 2.380 2.499 . 0 0 "[ . 1 . 2]" 1
1022 1 72 LEU HB3 1 72 LEU MD2 . . 3.470 3.260 3.246 3.281 . 0 0 "[ . 1 . 2]" 1
1023 1 72 LEU HB3 1 73 HIS H . . 3.660 2.776 2.525 2.958 . 0 0 "[ . 1 . 2]" 1
1024 1 72 LEU HB3 1 73 HIS QB . . 5.500 4.825 4.536 5.057 . 0 0 "[ . 1 . 2]" 1
1025 1 72 LEU QD 1 73 HIS H . . 3.960 3.567 3.351 3.662 . 0 0 "[ . 1 . 2]" 1
1026 1 72 LEU QD 1 73 HIS QB . . 5.440 4.921 4.666 5.065 . 0 0 "[ . 1 . 2]" 1
1027 1 73 HIS H 1 73 HIS QB . . 3.450 2.361 2.210 2.571 . 0 0 "[ . 1 . 2]" 1
1028 1 73 HIS H 1 73 HIS HD2 . . 5.270 4.051 2.637 5.010 . 0 0 "[ . 1 . 2]" 1
1029 1 73 HIS HA 1 74 LEU H . . 3.140 2.170 2.115 2.225 . 0 0 "[ . 1 . 2]" 1
1030 1 73 HIS HA 1 74 LEU HB3 . . 5.230 4.596 4.483 4.915 . 0 0 "[ . 1 . 2]" 1
1031 1 73 HIS QB 1 74 LEU H . . 4.230 3.513 3.137 3.875 . 0 0 "[ . 1 . 2]" 1
1032 1 74 LEU H 1 74 LEU HB2 . . 3.510 2.496 2.163 2.633 . 0 0 "[ . 1 . 2]" 1
1033 1 74 LEU H 1 74 LEU HB3 . . 3.320 2.460 2.373 2.757 . 0 0 "[ . 1 . 2]" 1
1034 1 74 LEU H 1 74 LEU QD . . 3.950 3.709 3.492 3.802 . 0 0 "[ . 1 . 2]" 1
1035 1 74 LEU HA 1 74 LEU QD . . 4.040 2.180 2.068 2.256 . 0 0 "[ . 1 . 2]" 1
1036 1 74 LEU HA 1 75 GLU H . . 3.140 2.222 2.104 2.301 . 0 0 "[ . 1 . 2]" 1
1037 1 74 LEU HA 1 78 LEU QD . . 4.040 3.832 3.565 5.210 1.170 13 1 "[ . 1 + . 2]" 1
1038 1 74 LEU QD 1 75 GLU H . . 4.360 2.637 2.132 3.161 . 0 0 "[ . 1 . 2]" 1
1039 1 74 LEU QD 1 76 THR H . . 5.500 5.564 5.086 5.764 0.264 9 0 "[ . 1 . 2]" 1
1040 1 74 LEU QD 1 78 LEU QD . . 2.890 2.043 1.767 3.192 0.302 13 0 "[ . 1 . 2]" 1
1041 1 74 LEU HG 1 75 GLU H . . 3.860 2.773 2.317 2.954 . 0 0 "[ . 1 . 2]" 1
1042 1 74 LEU HG 1 75 GLU HA . . 4.610 4.466 4.401 4.536 . 0 0 "[ . 1 . 2]" 1
1043 1 74 LEU HG 1 78 LEU QD . . 3.130 2.382 1.976 3.701 0.571 13 1 "[ . 1 + . 2]" 1
1044 1 75 GLU H 1 75 GLU HB2 . . 4.050 2.621 2.109 3.715 . 0 0 "[ . 1 . 2]" 1
1045 1 75 GLU H 1 75 GLU QB . . 3.430 2.233 2.072 2.638 . 0 0 "[ . 1 . 2]" 1
1046 1 75 GLU H 1 75 GLU HB3 . . 4.050 2.766 2.179 3.521 . 0 0 "[ . 1 . 2]" 1
1047 1 75 GLU H 1 75 GLU QG . . 4.280 3.494 2.411 4.038 . 0 0 "[ . 1 . 2]" 1
1048 1 75 GLU H 1 78 LEU QD . . 3.430 2.652 2.232 3.755 0.325 13 0 "[ . 1 . 2]" 1
1049 1 75 GLU HA 1 75 GLU QG . . 3.680 2.812 2.296 3.409 . 0 0 "[ . 1 . 2]" 1
1050 1 75 GLU HA 1 76 THR H . . 3.250 2.320 2.143 2.736 . 0 0 "[ . 1 . 2]" 1
1051 1 75 GLU HA 1 76 THR MG . . 5.060 5.213 4.942 5.357 0.297 4 0 "[ . 1 . 2]" 1
1052 1 75 GLU QB 1 76 THR H . . 3.630 2.993 2.256 3.609 . 0 0 "[ . 1 . 2]" 1
1053 1 75 GLU QB 1 76 THR HA . . 5.340 4.816 4.261 5.192 . 0 0 "[ . 1 . 2]" 1
1054 1 75 GLU HB2 1 76 THR H . . 4.140 3.649 2.273 4.010 . 0 0 "[ . 1 . 2]" 1
1055 1 75 GLU HB3 1 76 THR H . . 4.140 3.468 2.433 4.103 . 0 0 "[ . 1 . 2]" 1
1056 1 75 GLU QG 1 76 THR H . . 4.000 2.998 2.155 3.809 . 0 0 "[ . 1 . 2]" 1
1057 1 75 GLU QG 1 78 LEU QD . . 4.400 2.792 2.018 3.843 . 0 0 "[ . 1 . 2]" 1
1058 1 76 THR H 1 76 THR HB . . 4.050 2.989 2.784 3.129 . 0 0 "[ . 1 . 2]" 1
1059 1 76 THR H 1 76 THR MG . . 3.940 3.698 3.546 3.962 0.022 8 0 "[ . 1 . 2]" 1
1060 1 76 THR HA 1 76 THR MG . . 3.590 2.211 2.158 2.266 . 0 0 "[ . 1 . 2]" 1
1061 1 76 THR HA 1 77 LYS H . . 3.260 2.166 2.002 2.259 . 0 0 "[ . 1 . 2]" 1
1062 1 76 THR HA 1 77 LYS HA . . 4.500 4.354 4.231 4.474 . 0 0 "[ . 1 . 2]" 1
1063 1 76 THR HA 1 77 LYS QB . . 5.340 4.624 4.321 4.744 . 0 0 "[ . 1 . 2]" 1
1064 1 76 THR HA 1 77 LYS QD . . 4.780 4.879 3.853 5.557 0.777 12 5 "[* *- 1 + . * 2]" 1
1065 1 76 THR HA 1 77 LYS QE . . 5.500 5.210 4.847 5.597 0.097 3 0 "[ . 1 . 2]" 1
1066 1 76 THR HA 1 77 LYS QG . . 5.090 4.037 3.561 4.714 . 0 0 "[ . 1 . 2]" 1
1067 1 76 THR HA 1 78 LEU H . . 5.280 3.774 3.480 4.225 . 0 0 "[ . 1 . 2]" 1
1068 1 76 THR HA 1 78 LEU QD . . 4.830 3.922 2.725 5.319 0.489 20 0 "[ . 1 . 2]" 1
1069 1 76 THR HB 1 77 LYS H . . 3.990 3.733 3.411 4.072 0.082 12 0 "[ . 1 . 2]" 1
1070 1 76 THR HB 1 77 LYS QE . . 5.210 4.490 3.390 5.733 0.523 3 1 "[ + . 1 . 2]" 1
1071 1 76 THR HB 1 78 LEU H . . 5.500 5.412 5.138 5.676 0.176 3 0 "[ . 1 . 2]" 1
1072 1 76 THR MG 1 77 LYS QB . . 4.950 3.678 2.772 3.943 . 0 0 "[ . 1 . 2]" 1
1073 1 76 THR MG 1 77 LYS QE . . 4.560 2.758 2.211 3.590 . 0 0 "[ . 1 . 2]" 1
1074 1 76 THR MG 1 77 LYS QG . . 3.250 2.270 2.119 3.072 . 0 0 "[ . 1 . 2]" 1
1075 1 77 LYS H 1 77 LYS QB . . 3.510 3.358 3.187 3.444 . 0 0 "[ . 1 . 2]" 1
1076 1 77 LYS H 1 77 LYS QD . . 3.370 3.316 2.476 4.418 1.048 4 6 "[* +* 1 * . * -2]" 1
1077 1 77 LYS H 1 77 LYS QE . . 4.900 4.170 3.653 4.598 . 0 0 "[ . 1 . 2]" 1
1078 1 77 LYS H 1 77 LYS QG . . 4.830 2.774 2.356 3.116 . 0 0 "[ . 1 . 2]" 1
1079 1 77 LYS H 1 78 LEU H . . 4.500 2.861 2.684 3.049 . 0 0 "[ . 1 . 2]" 1
1080 1 77 LYS HA 1 77 LYS QD . . 4.020 2.810 2.108 4.047 0.027 19 0 "[ . 1 . 2]" 1
1081 1 77 LYS HA 1 77 LYS QG . . 3.730 2.807 2.254 3.183 . 0 0 "[ . 1 . 2]" 1
1082 1 77 LYS HA 1 78 LEU H . . 3.390 2.854 2.498 3.197 . 0 0 "[ . 1 . 2]" 1
1083 1 77 LYS QB 1 78 LEU H . . 4.210 3.877 3.662 3.962 . 0 0 "[ . 1 . 2]" 1
1084 1 77 LYS QG 1 78 LEU H . . 4.820 4.681 4.306 4.937 0.117 3 0 "[ . 1 . 2]" 1
1085 1 78 LEU H 1 78 LEU QB . . 3.080 2.279 2.080 2.757 . 0 0 "[ . 1 . 2]" 1
1086 1 78 LEU HA 1 79 ASP HA . . 5.120 4.619 4.312 4.908 . 0 0 "[ . 1 . 2]" 1
1087 1 78 LEU QB 1 79 ASP H . . 3.880 3.189 2.344 3.896 0.016 10 0 "[ . 1 . 2]" 1
1088 1 79 ASP H 1 79 ASP QB . . 3.430 2.795 2.130 3.370 . 0 0 "[ . 1 . 2]" 1
1089 1 79 ASP HA 1 80 LEU HA . . 5.440 4.404 4.232 4.625 . 0 0 "[ . 1 . 2]" 1
1090 1 79 ASP QB 1 80 LEU H . . 4.410 3.201 2.312 4.097 . 0 0 "[ . 1 . 2]" 1
1091 1 80 LEU H 1 80 LEU QB . . 3.290 2.438 2.096 2.835 . 0 0 "[ . 1 . 2]" 1
1092 1 80 LEU H 1 81 MET H . . 3.420 2.653 1.751 3.439 0.019 20 0 "[ . 1 . 2]" 1
1093 1 80 LEU QB 1 81 MET H . . 4.530 3.312 2.465 4.019 . 0 0 "[ . 1 . 2]" 1
1094 1 81 MET H 1 81 MET QG . . 4.620 3.364 2.371 4.182 . 0 0 "[ . 1 . 2]" 1
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