NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
527126 |
2ll0   |
18018 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ll0
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 890
_Distance_constraint_stats_list.Viol_count 2428
_Distance_constraint_stats_list.Viol_total 8965.860
_Distance_constraint_stats_list.Viol_max 1.768
_Distance_constraint_stats_list.Viol_rms 0.1260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0252
_Distance_constraint_stats_list.Viol_average_violations_only 0.1846
_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 4 PHE 0.671 0.079 19 0 "[ . 1 . 2]"
1 7 ARG 1.401 0.104 16 0 "[ . 1 . 2]"
1 8 GLU 1.208 0.154 5 0 "[ . 1 . 2]"
1 9 ARG 8.878 1.167 17 9 "[* * * **-1** . + 2]"
1 10 ALA 2.562 0.104 16 0 "[ . 1 . 2]"
1 11 HIS 2.613 0.099 11 0 "[ . 1 . 2]"
1 12 GLU 1.285 0.099 11 0 "[ . 1 . 2]"
1 13 ALA 2.374 0.120 7 0 "[ . 1 . 2]"
1 14 LYS 2.071 0.120 7 0 "[ . 1 . 2]"
1 15 PHE 5.926 0.785 17 3 "[*- . 1 . + 2]"
1 16 ALA 1.129 0.103 15 0 "[ . 1 . 2]"
1 17 HIS 2.259 0.103 15 0 "[ . 1 . 2]"
1 18 ASP 13.325 1.746 12 7 "[ - . * 1 +**.* * 2]"
1 19 ALA 3.309 0.828 7 3 "[ - . + 1 . * 2]"
1 20 GLU 1.527 0.096 17 0 "[ . 1 . 2]"
1 21 LEU 34.424 1.768 13 19 "[* *********-+*******]"
1 22 ASN 4.225 0.981 7 3 "[ * . + 1 - . 2]"
1 23 PHE 4.412 0.535 15 1 "[ . 1 + 2]"
1 24 LYS 35.997 1.768 13 19 "[- **********+*******]"
1 25 ALA 2.078 0.129 4 0 "[ . 1 . 2]"
1 26 GLU 2.048 0.657 3 1 "[ + . 1 . 2]"
1 27 ALA 3.151 0.657 3 1 "[ + . 1 . 2]"
1 28 ARG 0.212 0.068 1 0 "[ . 1 . 2]"
1 29 ARG 7.264 0.659 14 8 "[ * * *-1* +. * *]"
1 30 ASN 5.954 0.712 10 7 "[-** . + * * *2]"
1 31 ARG 0.056 0.056 3 0 "[ . 1 . 2]"
1 32 LEU 7.049 0.659 14 8 "[ * * *-1* +. * *]"
1 33 LEU 7.333 0.712 10 7 "[-** . + * * *2]"
1 34 GLY 1.266 0.102 13 0 "[ . 1 . 2]"
1 35 GLU 1.691 0.111 20 0 "[ . 1 . 2]"
1 36 TRP 18.879 0.538 10 13 "[ ***** +*** * *-*]"
1 37 ALA 2.791 0.093 15 0 "[ . 1 . 2]"
1 38 ALA 2.643 0.104 6 0 "[ . 1 . 2]"
1 39 GLY 1.867 0.092 5 0 "[ . 1 . 2]"
1 40 LEU 9.189 0.132 4 0 "[ . 1 . 2]"
1 41 LEU 2.835 0.088 10 0 "[ . 1 . 2]"
1 42 GLY 2.279 0.091 10 0 "[ . 1 . 2]"
1 43 LYS 6.536 0.209 18 0 "[ . 1 . 2]"
1 44 THR 2.775 0.121 17 0 "[ . 1 . 2]"
1 45 GLY 3.174 0.387 15 0 "[ . 1 . 2]"
1 46 ASP 12.611 1.324 2 6 "[ + . * 1- *** 2]"
1 47 ASP 17.796 0.586 5 14 "[* *+****1*- *.****2]"
1 48 ALA 3.568 0.121 17 0 "[ . 1 . 2]"
1 49 ARG 17.310 0.829 9 9 "[ .***+* - *.* *]"
1 50 ALA 22.110 1.324 2 18 "[*+*****-***** **** *]"
1 51 TYR 6.500 0.571 2 1 "[ + . 1 . 2]"
1 52 ALA 7.191 0.792 9 3 "[ . +* . - 2]"
1 53 LEU 34.488 1.259 10 18 "[*******-*+*** **** *]"
1 54 THR 2.880 0.571 2 1 "[ + . 1 . 2]"
1 55 VAL 1.623 0.094 13 0 "[ . 1 . 2]"
1 56 VAL 3.330 0.111 6 0 "[ . 1 . 2]"
1 57 THR 4.927 1.274 11 2 "[ -. 1+ . 2]"
1 58 SER 4.189 1.274 11 2 "[ -. 1+ . 2]"
1 59 ASP 0.795 0.208 18 0 "[ . 1 . 2]"
1 60 PHE 0.390 0.073 2 0 "[ . 1 . 2]"
1 63 PRO 2.545 0.376 2 0 "[ . 1 . 2]"
1 64 GLY 2.545 0.376 2 0 "[ . 1 . 2]"
1 65 ASP 0.192 0.075 1 0 "[ . 1 . 2]"
1 67 ASP 1.576 0.088 12 0 "[ . 1 . 2]"
1 68 VAL 1.706 0.088 12 0 "[ . 1 . 2]"
1 69 PHE 3.020 0.210 9 0 "[ . 1 . 2]"
1 70 ARG 0.390 0.085 17 0 "[ . 1 . 2]"
1 71 LYS 5.074 0.514 4 1 "[ +. 1 . 2]"
1 72 LEU 1.720 0.088 6 0 "[ . 1 . 2]"
1 73 ALA 1.546 0.080 10 0 "[ . 1 . 2]"
1 74 ALA 2.743 0.087 14 0 "[ . 1 . 2]"
1 75 ASP 0.927 0.081 6 0 "[ . 1 . 2]"
1 76 LEU 4.522 0.546 14 1 "[ . 1 +. 2]"
1 77 GLU 4.453 1.044 10 2 "[ . + - 2]"
1 78 GLY 4.095 1.044 10 2 "[ . + - 2]"
1 79 LYS 16.755 0.705 19 17 "[** ************-*+2]"
1 80 ALA 4.190 0.132 4 0 "[ . 1 . 2]"
1 81 ASP 1.877 0.087 5 0 "[ . 1 . 2]"
1 82 GLU 0.769 0.210 9 0 "[ . 1 . 2]"
1 83 GLU 1.880 0.237 17 0 "[ . 1 . 2]"
1 84 THR 3.770 0.097 3 0 "[ . 1 . 2]"
1 85 ILE 32.055 1.234 13 20 [***-********+*******]
1 86 ARG 23.719 1.250 6 13 "[ * *+**** **** -*2]"
1 87 ALA 43.164 1.644 1 18 "[+ ***********-** ***]"
1 88 LYS 53.361 1.644 1 20 [+**-****************]
1 89 MET 7.749 0.855 1 4 "[+ -. * .* 2]"
1 90 VAL 4.907 0.150 6 0 "[ . 1 . 2]"
1 91 GLU 0.171 0.053 4 0 "[ . 1 . 2]"
1 92 LEU 12.786 1.695 1 6 "[+ *.** 1 . -* 2]"
1 93 ARG 10.026 1.695 1 6 "[+ *.** 1 . -* 2]"
1 94 ALA 1.893 0.150 6 0 "[ . 1 . 2]"
1 95 THR 29.962 1.592 13 20 [**********-*+*******]
1 96 ALA 0.436 0.108 13 0 "[ . 1 . 2]"
1 97 ARG 1.088 0.090 16 0 "[ . 1 . 2]"
1 98 GLU 4.991 0.596 11 2 "[ . 1+ . -]"
1 99 GLN 31.870 1.592 13 20 [************+******-]
1 100 ILE 19.123 1.624 8 10 "[*- ****+ 1* * . *]"
1 101 ILE 17.223 0.675 16 5 "[** . 1 -+ * 2]"
1 102 SER 7.032 0.295 13 0 "[ . 1 . 2]"
1 103 GLU 27.420 1.624 8 11 "[*****-*+ 1* * . *]"
1 104 ILE 16.299 1.246 13 12 "[******* 1 + -* * *]"
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 4 PHE H 1 4 PHE HA . . 2.870 2.768 2.186 2.949 0.079 19 0 "[ . 1 . 2]" 1
2 1 7 ARG HA 1 8 GLU H . . 3.130 3.024 2.569 3.222 0.092 17 0 "[ . 1 . 2]" 1
3 1 7 ARG HA 1 10 ALA MB . . 4.090 3.364 2.007 4.194 0.104 16 0 "[ . 1 . 2]" 1
4 1 7 ARG HA 1 11 HIS HD2 . . 4.610 3.473 2.039 4.663 0.053 6 0 "[ . 1 . 2]" 1
5 1 8 GLU H 1 8 GLU HB3 . . 3.730 3.055 2.246 3.806 0.076 3 0 "[ . 1 . 2]" 1
6 1 8 GLU HB3 1 9 ARG H . . 4.430 3.617 2.164 4.584 0.154 5 0 "[ . 1 . 2]" 1
7 1 9 ARG H 1 9 ARG HG3 . . 3.470 3.657 2.451 4.637 1.167 17 9 "[* * * **-1** . + 2]" 1
8 1 9 ARG HA 1 10 ALA H . . 3.150 2.857 2.250 3.188 0.038 6 0 "[ . 1 . 2]" 1
9 1 9 ARG HA 1 14 LYS H . . 3.960 3.781 3.367 4.044 0.084 14 0 "[ . 1 . 2]" 1
10 1 10 ALA H 1 10 ALA MB . . 3.170 2.540 2.382 3.040 . 0 0 "[ . 1 . 2]" 1
11 1 10 ALA H 1 11 HIS H . . 3.530 2.284 1.736 3.626 0.096 11 0 "[ . 1 . 2]" 1
12 1 10 ALA H 1 13 ALA H . . 3.620 3.639 3.270 3.711 0.091 5 0 "[ . 1 . 2]" 1
13 1 10 ALA H 1 14 LYS H . . 4.110 3.904 3.040 4.196 0.086 7 0 "[ . 1 . 2]" 1
14 1 10 ALA MB 1 11 HIS H . . 4.080 2.637 1.870 3.382 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA MB 1 11 HIS HD2 . . 4.080 2.645 2.055 4.156 0.076 10 0 "[ . 1 . 2]" 1
16 1 11 HIS HA 1 11 HIS HD2 . . 4.220 4.072 3.250 4.308 0.088 7 0 "[ . 1 . 2]" 1
17 1 11 HIS HA 1 12 GLU H . . 3.350 3.239 2.424 3.449 0.099 11 0 "[ . 1 . 2]" 1
18 1 11 HIS HA 1 13 ALA H . . 5.250 4.564 3.703 5.324 0.074 20 0 "[ . 1 . 2]" 1
19 1 11 HIS HA 1 14 LYS HB3 . . 4.610 3.656 2.662 4.542 . 0 0 "[ . 1 . 2]" 1
20 1 11 HIS HA 1 15 PHE QD . . 3.310 2.950 2.209 3.406 0.096 14 0 "[ . 1 . 2]" 1
21 1 11 HIS HA 1 101 ILE MD . . 5.290 3.581 2.395 4.590 . 0 0 "[ . 1 . 2]" 1
22 1 13 ALA H 1 13 ALA MB . . 3.000 2.365 2.183 2.745 . 0 0 "[ . 1 . 2]" 1
23 1 13 ALA H 1 14 LYS H . . 3.580 2.363 1.868 2.966 . 0 0 "[ . 1 . 2]" 1
24 1 13 ALA H 1 17 HIS HD2 . . 5.500 5.450 4.946 5.589 0.089 6 0 "[ . 1 . 2]" 1
25 1 13 ALA HA 1 17 HIS HD2 . . 5.370 3.251 2.323 4.630 . 0 0 "[ . 1 . 2]" 1
26 1 13 ALA MB 1 14 LYS H . . 3.200 2.691 2.204 3.320 0.120 7 0 "[ . 1 . 2]" 1
27 1 13 ALA MB 1 17 HIS HD2 . . 3.360 2.757 2.213 3.454 0.094 13 0 "[ . 1 . 2]" 1
28 1 14 LYS H 1 14 LYS HB3 . . 3.210 2.870 2.558 3.214 0.004 10 0 "[ . 1 . 2]" 1
29 1 14 LYS H 1 14 LYS HG3 . . 4.440 4.363 3.678 4.555 0.115 19 0 "[ . 1 . 2]" 1
30 1 14 LYS H 1 15 PHE H . . 3.310 2.932 2.472 3.346 0.036 12 0 "[ . 1 . 2]" 1
31 1 14 LYS H 1 101 ILE MD . . 5.500 5.390 4.945 5.593 0.093 18 0 "[ . 1 . 2]" 1
32 1 14 LYS HA 1 14 LYS HG3 . . 4.070 2.551 2.229 3.103 . 0 0 "[ . 1 . 2]" 1
33 1 14 LYS HA 1 17 HIS HD2 . . 4.950 4.135 2.396 5.012 0.062 13 0 "[ . 1 . 2]" 1
34 1 14 LYS HB3 1 15 PHE H . . 4.010 2.640 1.961 3.267 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS HB3 1 15 PHE QD . . 4.780 3.311 2.284 3.768 . 0 0 "[ . 1 . 2]" 1
36 1 14 LYS HG3 1 15 PHE H . . 5.280 4.587 3.688 5.107 . 0 0 "[ . 1 . 2]" 1
37 1 15 PHE H 1 15 PHE HB3 . . 3.740 3.524 2.474 3.681 . 0 0 "[ . 1 . 2]" 1
38 1 15 PHE H 1 16 ALA H . . 3.320 2.386 1.942 2.757 . 0 0 "[ . 1 . 2]" 1
39 1 15 PHE HA 1 15 PHE QD . . 3.700 2.691 2.237 3.615 . 0 0 "[ . 1 . 2]" 1
40 1 15 PHE HA 1 21 LEU MD2 . . 4.740 3.988 2.122 4.821 0.081 1 0 "[ . 1 . 2]" 1
41 1 15 PHE HB3 1 15 PHE QD . . 2.990 2.564 2.369 2.806 . 0 0 "[ . 1 . 2]" 1
42 1 15 PHE HB3 1 16 ALA H . . 4.070 3.857 3.370 4.146 0.076 14 0 "[ . 1 . 2]" 1
43 1 15 PHE HB3 1 101 ILE MD . . 4.570 3.372 2.411 4.677 0.107 14 0 "[ . 1 . 2]" 1
44 1 15 PHE QD 1 21 LEU H . . 4.600 3.289 2.701 4.678 0.078 14 0 "[ . 1 . 2]" 1
45 1 15 PHE QD 1 21 LEU HA . . 4.690 2.364 2.051 4.096 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE QD 1 21 LEU HB3 . . 4.340 3.884 2.087 4.415 0.075 9 0 "[ . 1 . 2]" 1
47 1 15 PHE QD 1 21 LEU MD1 . . 4.130 3.389 2.390 4.915 0.785 17 1 "[ . 1 . + 2]" 1
48 1 15 PHE QD 1 22 ASN H . . 4.990 4.972 4.171 5.051 0.061 5 0 "[ . 1 . 2]" 1
49 1 15 PHE QD 1 24 LYS HG3 . . 4.950 3.654 3.225 5.013 0.063 12 0 "[ . 1 . 2]" 1
50 1 15 PHE QD 1 100 ILE MG . . 3.700 3.271 2.677 3.783 0.083 14 0 "[ . 1 . 2]" 1
51 1 15 PHE QD 1 101 ILE MD . . 3.860 2.273 2.037 3.442 . 0 0 "[ . 1 . 2]" 1
52 1 15 PHE QD 1 101 ILE HG13 . . 4.280 4.334 2.678 4.832 0.552 1 2 "[+- . 1 . 2]" 1
53 1 16 ALA H 1 16 ALA MB . . 3.070 2.222 2.182 2.288 . 0 0 "[ . 1 . 2]" 1
54 1 16 ALA HA 1 18 ASP H . . 5.500 3.983 3.118 5.576 0.076 17 0 "[ . 1 . 2]" 1
55 1 16 ALA MB 1 17 HIS H . . 4.750 2.783 2.430 3.642 . 0 0 "[ . 1 . 2]" 1
56 1 16 ALA MB 1 17 HIS HB3 . . 5.500 5.148 3.089 5.600 0.100 12 0 "[ . 1 . 2]" 1
57 1 16 ALA MB 1 17 HIS HD2 . . 3.900 3.343 2.277 4.003 0.103 15 0 "[ . 1 . 2]" 1
58 1 16 ALA MB 1 18 ASP H . . 5.500 4.517 4.132 5.421 . 0 0 "[ . 1 . 2]" 1
59 1 17 HIS HA 1 17 HIS HD2 . . 4.650 3.957 2.875 4.727 0.077 15 0 "[ . 1 . 2]" 1
60 1 17 HIS HB3 1 18 ASP H . . 4.440 4.030 2.444 4.500 0.060 1 0 "[ . 1 . 2]" 1
61 1 18 ASP H 1 18 ASP HB3 . . 4.160 3.726 2.570 4.200 0.040 20 0 "[ . 1 . 2]" 1
62 1 18 ASP H 1 19 ALA H . . 4.960 4.347 1.686 4.670 . 0 0 "[ . 1 . 2]" 1
63 1 18 ASP HA 1 19 ALA H . . 3.130 2.869 2.499 3.220 0.090 18 0 "[ . 1 . 2]" 1
64 1 18 ASP HA 1 20 GLU H . . 4.320 4.244 3.046 4.416 0.096 17 0 "[ . 1 . 2]" 1
65 1 18 ASP HA 1 21 LEU H . . 5.500 3.529 3.057 4.849 . 0 0 "[ . 1 . 2]" 1
66 1 18 ASP HA 1 21 LEU HB3 . . 4.400 3.006 2.128 6.146 1.746 12 3 "[ . 1 +-*. 2]" 1
67 1 18 ASP HB3 1 19 ALA H . . 4.830 2.399 1.712 4.441 . 0 0 "[ . 1 . 2]" 1
68 1 18 ASP HB3 1 19 ALA MB . . 4.430 4.189 2.612 5.258 0.828 7 3 "[ - . + 1 . * 2]" 1
69 1 18 ASP HB3 1 21 LEU H . . 5.070 4.903 1.738 5.803 0.733 16 3 "[ - . * 1 .+ 2]" 1
70 1 18 ASP HB3 1 22 ASN QD . . 3.630 3.138 1.973 4.611 0.981 7 2 "[ - . + 1 . 2]" 1
71 1 19 ALA H 1 19 ALA MB . . 2.960 2.714 2.168 3.016 0.056 5 0 "[ . 1 . 2]" 1
72 1 19 ALA H 1 20 GLU H . . 3.870 3.564 2.229 3.942 0.072 20 0 "[ . 1 . 2]" 1
73 1 19 ALA HA 1 22 ASN QD . . 4.630 3.008 1.857 3.946 . 0 0 "[ . 1 . 2]" 1
74 1 19 ALA MB 1 20 GLU H . . 3.690 2.393 2.027 3.546 . 0 0 "[ . 1 . 2]" 1
75 1 19 ALA MB 1 22 ASN QD . . 5.500 4.157 3.235 4.891 . 0 0 "[ . 1 . 2]" 1
76 1 20 GLU H 1 21 LEU H . . 3.410 2.434 1.711 2.916 . 0 0 "[ . 1 . 2]" 1
77 1 20 GLU HA 1 23 PHE H . . 3.970 3.662 3.215 4.031 0.061 6 0 "[ . 1 . 2]" 1
78 1 21 LEU H 1 21 LEU HB3 . . 2.920 2.589 2.338 3.511 0.591 13 1 "[ . 1 + . 2]" 1
79 1 21 LEU H 1 21 LEU MD1 . . 4.340 4.025 2.149 4.285 . 0 0 "[ . 1 . 2]" 1
80 1 21 LEU H 1 21 LEU MD2 . . 4.630 4.104 2.529 4.374 . 0 0 "[ . 1 . 2]" 1
81 1 21 LEU H 1 22 ASN H . . 3.420 2.637 2.440 2.845 . 0 0 "[ . 1 . 2]" 1
82 1 21 LEU HA 1 21 LEU MD1 . . 3.340 2.546 2.116 4.074 0.734 13 1 "[ . 1 + . 2]" 1
83 1 21 LEU HA 1 23 PHE H . . 4.100 4.092 3.569 4.188 0.088 9 0 "[ . 1 . 2]" 1
84 1 21 LEU HA 1 24 LYS HB3 . . 3.540 4.553 3.615 5.308 1.768 13 17 "[* ********* + **-***]" 1
85 1 21 LEU HB3 1 21 LEU MD2 . . 2.930 2.391 2.122 3.273 0.343 17 0 "[ . 1 . 2]" 1
86 1 21 LEU HB3 1 22 ASN H . . 3.520 2.855 2.222 4.021 0.501 12 1 "[ . 1 + . 2]" 1
87 1 21 LEU HB3 1 22 ASN QD . . 5.500 4.675 2.674 5.947 0.447 13 0 "[ . 1 . 2]" 1
88 1 21 LEU MD1 1 22 ASN H . . 5.500 4.457 3.264 5.108 . 0 0 "[ . 1 . 2]" 1
89 1 21 LEU MD2 1 22 ASN H . . 5.500 4.321 3.330 5.243 . 0 0 "[ . 1 . 2]" 1
90 1 22 ASN H 1 22 ASN QD . . 4.640 3.391 2.161 4.211 . 0 0 "[ . 1 . 2]" 1
91 1 22 ASN HA 1 25 ALA H . . 4.370 3.920 3.546 4.423 0.053 13 0 "[ . 1 . 2]" 1
92 1 22 ASN HA 1 25 ALA MB . . 3.490 3.037 2.261 3.574 0.084 12 0 "[ . 1 . 2]" 1
93 1 22 ASN HA 1 26 GLU H . . 5.240 4.152 3.459 5.288 0.048 13 0 "[ . 1 . 2]" 1
94 1 23 PHE H 1 24 LYS HG3 . . 5.320 5.150 4.133 5.855 0.535 15 1 "[ . 1 + 2]" 1
95 1 23 PHE HA 1 26 GLU H . . 4.200 3.870 3.095 4.269 0.069 3 0 "[ . 1 . 2]" 1
96 1 23 PHE HA 1 27 ALA H . . 5.290 4.672 3.816 5.349 0.059 8 0 "[ . 1 . 2]" 1
97 1 23 PHE HD1 1 24 LYS H . . 5.220 4.803 3.520 5.560 0.340 9 0 "[ . 1 . 2]" 1
98 1 24 LYS H 1 24 LYS HB3 . . 3.350 3.388 2.120 3.648 0.298 5 0 "[ . 1 . 2]" 1
99 1 24 LYS H 1 24 LYS HD3 . . 4.680 4.369 2.844 4.996 0.316 14 0 "[ . 1 . 2]" 1
100 1 24 LYS H 1 24 LYS HG3 . . 4.020 3.039 2.252 3.614 . 0 0 "[ . 1 . 2]" 1
101 1 24 LYS H 1 25 ALA H . . 3.740 2.764 2.390 3.065 . 0 0 "[ . 1 . 2]" 1
102 1 24 LYS HA 1 24 LYS HD3 . . 3.790 3.581 2.249 5.157 1.367 12 6 "[- . 1*+ *. **]" 1
103 1 24 LYS HA 1 27 ALA H . . 4.070 3.885 3.580 4.084 0.014 15 0 "[ . 1 . 2]" 1
104 1 24 LYS HA 1 27 ALA MB . . 3.340 3.245 2.891 3.450 0.110 11 0 "[ . 1 . 2]" 1
105 1 24 LYS HB3 1 25 ALA H . . 3.760 3.608 3.236 3.850 0.090 14 0 "[ . 1 . 2]" 1
106 1 24 LYS HB3 1 100 ILE MD . . 4.740 2.511 1.957 4.849 0.109 2 0 "[ . 1 . 2]" 1
107 1 24 LYS HD3 1 100 ILE MD . . 4.720 4.287 2.175 4.826 0.106 13 0 "[ . 1 . 2]" 1
108 1 24 LYS HD3 1 100 ILE MG . . 4.980 4.217 2.362 5.052 0.072 16 0 "[ . 1 . 2]" 1
109 1 24 LYS HG3 1 100 ILE MD . . 5.030 3.967 2.402 4.754 . 0 0 "[ . 1 . 2]" 1
110 1 25 ALA H 1 25 ALA MB . . 3.090 2.212 2.159 2.402 . 0 0 "[ . 1 . 2]" 1
111 1 25 ALA H 1 26 GLU H . . 3.440 2.810 2.597 2.984 . 0 0 "[ . 1 . 2]" 1
112 1 25 ALA H 1 27 ALA H . . 5.130 4.480 4.034 4.808 . 0 0 "[ . 1 . 2]" 1
113 1 25 ALA H 1 100 ILE MD . . 5.110 3.460 2.972 3.954 . 0 0 "[ . 1 . 2]" 1
114 1 25 ALA H 1 100 ILE HG13 . . 5.150 3.388 2.984 4.291 . 0 0 "[ . 1 . 2]" 1
115 1 25 ALA H 1 100 ILE MG . . 4.890 4.563 4.321 4.876 . 0 0 "[ . 1 . 2]" 1
116 1 25 ALA HA 1 28 ARG H . . 3.840 3.442 3.107 3.822 . 0 0 "[ . 1 . 2]" 1
117 1 25 ALA HA 1 29 ARG H . . 4.420 3.818 3.380 4.476 0.056 14 0 "[ . 1 . 2]" 1
118 1 25 ALA HA 1 100 ILE MD . . 3.500 2.335 2.022 2.815 . 0 0 "[ . 1 . 2]" 1
119 1 25 ALA HA 1 100 ILE HG13 . . 3.550 3.336 2.466 3.626 0.076 10 0 "[ . 1 . 2]" 1
120 1 25 ALA MB 1 26 GLU H . . 3.810 2.768 2.305 3.564 . 0 0 "[ . 1 . 2]" 1
121 1 25 ALA MB 1 100 ILE MD . . 3.970 3.262 2.894 3.755 . 0 0 "[ . 1 . 2]" 1
122 1 25 ALA MB 1 100 ILE MG . . 4.270 4.264 3.746 4.399 0.129 4 0 "[ . 1 . 2]" 1
123 1 26 GLU H 1 27 ALA H . . 3.440 2.743 2.244 3.034 . 0 0 "[ . 1 . 2]" 1
124 1 26 GLU H 1 100 ILE MD . . 5.500 4.986 4.708 5.271 . 0 0 "[ . 1 . 2]" 1
125 1 26 GLU HA 1 29 ARG H . . 4.060 3.753 3.407 4.121 0.061 10 0 "[ . 1 . 2]" 1
126 1 26 GLU HB3 1 27 ALA MB . . 4.770 4.439 3.643 5.427 0.657 3 1 "[ + . 1 . 2]" 1
127 1 27 ALA H 1 27 ALA MB . . 2.850 2.210 2.064 2.369 . 0 0 "[ . 1 . 2]" 1
128 1 27 ALA H 1 29 ARG H . . 5.500 4.398 4.049 4.874 . 0 0 "[ . 1 . 2]" 1
129 1 27 ALA HA 1 30 ASN HD21 . . 4.380 3.370 1.964 4.452 0.072 1 0 "[ . 1 . 2]" 1
130 1 27 ALA HA 1 30 ASN HD22 . . 5.500 4.444 2.286 5.588 0.088 12 0 "[ . 1 . 2]" 1
131 1 27 ALA HA 1 56 VAL QG . . 4.490 2.827 1.949 3.847 . 0 0 "[ . 1 . 2]" 1
132 1 27 ALA MB 1 28 ARG H . . 3.680 2.798 2.241 3.593 . 0 0 "[ . 1 . 2]" 1
133 1 27 ALA MB 1 56 VAL QG . . 3.530 2.645 2.024 3.550 0.020 16 0 "[ . 1 . 2]" 1
134 1 28 ARG H 1 29 ARG H . . 3.530 2.657 1.985 3.077 . 0 0 "[ . 1 . 2]" 1
135 1 28 ARG H 1 29 ARG HA . . 5.500 5.213 4.663 5.552 0.052 19 0 "[ . 1 . 2]" 1
136 1 28 ARG H 1 100 ILE MD . . 4.770 3.988 3.085 4.838 0.068 1 0 "[ . 1 . 2]" 1
137 1 28 ARG HA 1 29 ARG HA . . 4.900 4.758 4.653 4.865 . 0 0 "[ . 1 . 2]" 1
138 1 29 ARG H 1 30 ASN H . . 3.950 2.863 2.546 3.057 . 0 0 "[ . 1 . 2]" 1
139 1 29 ARG H 1 31 ARG H . . 5.340 4.404 3.934 4.760 . 0 0 "[ . 1 . 2]" 1
140 1 29 ARG H 1 32 LEU QD . . 5.500 4.309 3.803 4.893 . 0 0 "[ . 1 . 2]" 1
141 1 29 ARG H 1 96 ALA MB . . 3.640 2.940 2.476 3.631 . 0 0 "[ . 1 . 2]" 1
142 1 29 ARG HA 1 32 LEU H . . 4.550 3.600 3.254 4.179 . 0 0 "[ . 1 . 2]" 1
143 1 29 ARG HA 1 32 LEU HB3 . . 4.260 4.499 3.681 4.919 0.659 14 8 "[ * * *-1* +. * *]" 1
144 1 29 ARG HA 1 32 LEU QD . . 3.760 2.652 1.945 3.532 . 0 0 "[ . 1 . 2]" 1
145 1 29 ARG HA 1 33 LEU H . . 5.040 4.415 3.894 4.945 . 0 0 "[ . 1 . 2]" 1
146 1 29 ARG HA 1 96 ALA MB . . 3.280 2.582 2.150 3.388 0.108 13 0 "[ . 1 . 2]" 1
147 1 30 ASN H 1 31 ARG H . . 4.050 2.779 2.499 3.229 . 0 0 "[ . 1 . 2]" 1
148 1 30 ASN H 1 33 LEU H . . 5.500 4.970 4.778 5.246 . 0 0 "[ . 1 . 2]" 1
149 1 30 ASN HA 1 33 LEU H . . 4.060 3.527 3.103 3.875 . 0 0 "[ . 1 . 2]" 1
150 1 30 ASN HA 1 33 LEU HB3 . . 3.500 3.522 2.886 4.212 0.712 10 7 "[-** . + * * *2]" 1
151 1 30 ASN HA 1 33 LEU QD . . 3.620 3.482 3.114 3.657 0.037 4 0 "[ . 1 . 2]" 1
152 1 30 ASN HA 1 55 VAL QG . . 4.030 3.648 3.228 4.049 0.019 9 0 "[ . 1 . 2]" 1
153 1 30 ASN HD21 1 56 VAL QG . . 5.410 3.436 2.148 4.160 . 0 0 "[ . 1 . 2]" 1
154 1 30 ASN HD22 1 56 VAL QG . . 5.380 4.231 1.874 5.280 . 0 0 "[ . 1 . 2]" 1
155 1 31 ARG H 1 32 LEU H . . 3.910 2.785 2.491 3.051 . 0 0 "[ . 1 . 2]" 1
156 1 31 ARG H 1 33 LEU H . . 4.930 4.302 3.979 4.597 . 0 0 "[ . 1 . 2]" 1
157 1 31 ARG H 1 34 GLY H . . 5.500 4.763 4.570 5.556 0.056 3 0 "[ . 1 . 2]" 1
158 1 31 ARG HA 1 34 GLY H . . 4.690 3.465 3.075 4.456 . 0 0 "[ . 1 . 2]" 1
159 1 31 ARG HA 1 56 VAL QG . . 4.530 3.370 2.030 4.442 . 0 0 "[ . 1 . 2]" 1
160 1 32 LEU H 1 32 LEU HB3 . . 3.730 3.573 3.344 3.771 0.041 3 0 "[ . 1 . 2]" 1
161 1 32 LEU H 1 32 LEU QD . . 3.790 2.711 2.360 3.222 . 0 0 "[ . 1 . 2]" 1
162 1 32 LEU H 1 33 LEU H . . 3.580 2.798 2.259 3.053 . 0 0 "[ . 1 . 2]" 1
163 1 32 LEU H 1 92 LEU QD . . 5.500 4.196 3.814 4.771 . 0 0 "[ . 1 . 2]" 1
164 1 32 LEU HA 1 32 LEU QD . . 2.760 2.313 2.124 2.611 . 0 0 "[ . 1 . 2]" 1
165 1 32 LEU HA 1 35 GLU H . . 4.080 3.745 3.041 4.121 0.041 4 0 "[ . 1 . 2]" 1
166 1 32 LEU HB3 1 33 LEU H . . 4.100 3.613 3.016 4.052 . 0 0 "[ . 1 . 2]" 1
167 1 32 LEU HB3 1 92 LEU QD . . 3.510 2.186 1.932 2.793 . 0 0 "[ . 1 . 2]" 1
168 1 32 LEU QD 1 33 LEU H . . 4.990 4.079 3.784 4.321 . 0 0 "[ . 1 . 2]" 1
169 1 32 LEU QD 1 95 THR HB . . 4.230 3.744 2.771 4.254 0.024 10 0 "[ . 1 . 2]" 1
170 1 32 LEU QD 1 96 ALA H . . 4.360 3.782 2.928 4.377 0.017 11 0 "[ . 1 . 2]" 1
171 1 32 LEU QD 1 96 ALA HA . . 3.740 3.203 2.439 3.811 0.071 20 0 "[ . 1 . 2]" 1
172 1 32 LEU QD 1 96 ALA MB . . 4.070 2.537 1.930 3.430 . 0 0 "[ . 1 . 2]" 1
173 1 32 LEU QD 1 99 GLN HE21 . . 4.400 3.241 2.616 4.137 . 0 0 "[ . 1 . 2]" 1
174 1 32 LEU QD 1 99 GLN HE22 . . 3.820 2.338 1.743 3.272 . 0 0 "[ . 1 . 2]" 1
175 1 33 LEU H 1 33 LEU HB3 . . 3.150 2.956 2.538 3.305 0.155 13 0 "[ . 1 . 2]" 1
176 1 33 LEU H 1 33 LEU QD . . 4.140 3.402 2.703 3.697 . 0 0 "[ . 1 . 2]" 1
177 1 33 LEU H 1 34 GLY H . . 3.460 2.600 2.196 2.895 . 0 0 "[ . 1 . 2]" 1
178 1 33 LEU H 1 92 LEU QD . . 3.990 2.999 2.301 3.873 . 0 0 "[ . 1 . 2]" 1
179 1 33 LEU HA 1 33 LEU QD . . 3.240 2.263 2.043 2.940 . 0 0 "[ . 1 . 2]" 1
180 1 33 LEU HA 1 36 TRP H . . 3.890 3.552 3.246 3.882 . 0 0 "[ . 1 . 2]" 1
181 1 33 LEU HA 1 36 TRP HB3 . . 3.930 2.743 2.319 3.059 . 0 0 "[ . 1 . 2]" 1
182 1 33 LEU HA 1 36 TRP HE3 . . 3.940 3.330 2.681 3.914 . 0 0 "[ . 1 . 2]" 1
183 1 33 LEU HA 1 37 ALA H . . 4.400 4.146 3.758 4.409 0.009 17 0 "[ . 1 . 2]" 1
184 1 33 LEU HA 1 92 LEU QD . . 3.160 2.631 2.251 3.070 . 0 0 "[ . 1 . 2]" 1
185 1 33 LEU HB3 1 34 GLY H . . 3.590 2.964 2.554 3.415 . 0 0 "[ . 1 . 2]" 1
186 1 33 LEU QD 1 34 GLY H . . 5.100 4.193 3.801 4.422 . 0 0 "[ . 1 . 2]" 1
187 1 33 LEU QD 1 36 TRP HE3 . . 4.030 2.734 2.144 3.683 . 0 0 "[ . 1 . 2]" 1
188 1 33 LEU QD 1 36 TRP HZ3 . . 4.700 3.016 2.204 3.870 . 0 0 "[ . 1 . 2]" 1
189 1 33 LEU QD 1 88 LYS HA . . 4.630 3.896 3.505 4.167 . 0 0 "[ . 1 . 2]" 1
190 1 33 LEU QD 1 88 LYS HB3 . . 4.160 2.273 1.958 2.952 . 0 0 "[ . 1 . 2]" 1
191 1 33 LEU QD 1 89 MET H . . 4.230 3.000 2.770 3.170 . 0 0 "[ . 1 . 2]" 1
192 1 33 LEU QD 1 89 MET HA . . 3.330 2.210 1.937 2.725 . 0 0 "[ . 1 . 2]" 1
193 1 33 LEU QD 1 89 MET HB3 . . 3.810 3.647 2.652 4.111 0.301 14 0 "[ . 1 . 2]" 1
194 1 34 GLY H 1 51 TYR QE . . 5.500 5.252 4.801 5.585 0.085 14 0 "[ . 1 . 2]" 1
195 1 34 GLY H 1 52 ALA MB . . 4.530 4.317 3.856 4.608 0.078 11 0 "[ . 1 . 2]" 1
196 1 34 GLY QA 1 37 ALA H . . 4.390 3.522 2.980 3.909 . 0 0 "[ . 1 . 2]" 1
197 1 34 GLY QA 1 51 TYR QE . . 4.250 2.467 2.064 2.760 . 0 0 "[ . 1 . 2]" 1
198 1 34 GLY QA 1 52 ALA H . . 4.490 4.497 4.325 4.592 0.102 13 0 "[ . 1 . 2]" 1
199 1 34 GLY QA 1 52 ALA MB . . 4.120 2.979 2.516 3.342 . 0 0 "[ . 1 . 2]" 1
200 1 35 GLU H 1 35 GLU HG3 . . 3.720 2.618 1.861 3.479 . 0 0 "[ . 1 . 2]" 1
201 1 35 GLU H 1 36 TRP H . . 3.900 2.733 2.507 2.873 . 0 0 "[ . 1 . 2]" 1
202 1 35 GLU H 1 36 TRP HA . . 5.500 5.395 5.256 5.501 0.001 2 0 "[ . 1 . 2]" 1
203 1 35 GLU H 1 52 ALA HA . . 4.540 3.927 3.230 4.558 0.018 17 0 "[ . 1 . 2]" 1
204 1 35 GLU H 1 52 ALA MB . . 3.840 2.993 2.630 3.363 . 0 0 "[ . 1 . 2]" 1
205 1 35 GLU HA 1 36 TRP H . . 3.500 3.528 3.409 3.574 0.074 4 0 "[ . 1 . 2]" 1
206 1 35 GLU HA 1 38 ALA H . . 3.970 3.572 3.247 4.041 0.071 19 0 "[ . 1 . 2]" 1
207 1 35 GLU HA 1 52 ALA MB . . 3.060 2.649 2.119 3.146 0.086 9 0 "[ . 1 . 2]" 1
208 1 35 GLU HG3 1 52 ALA MB . . 3.980 3.558 2.251 4.091 0.111 20 0 "[ . 1 . 2]" 1
209 1 36 TRP H 1 36 TRP HB3 . . 3.370 2.315 2.223 2.453 . 0 0 "[ . 1 . 2]" 1
210 1 36 TRP H 1 36 TRP HE3 . . 4.970 4.443 4.110 4.798 . 0 0 "[ . 1 . 2]" 1
211 1 36 TRP H 1 37 ALA H . . 3.700 2.771 2.395 3.071 . 0 0 "[ . 1 . 2]" 1
212 1 36 TRP H 1 37 ALA MB . . 4.660 4.339 3.955 4.657 . 0 0 "[ . 1 . 2]" 1
213 1 36 TRP H 1 92 LEU QD . . 5.300 4.700 4.189 5.192 . 0 0 "[ . 1 . 2]" 1
214 1 36 TRP HA 1 36 TRP HD1 . . 3.190 2.840 2.596 3.099 . 0 0 "[ . 1 . 2]" 1
215 1 36 TRP HA 1 36 TRP HE1 . . 5.260 5.115 4.935 5.293 0.033 7 0 "[ . 1 . 2]" 1
216 1 36 TRP HA 1 38 ALA H . . 5.500 4.643 4.485 4.903 . 0 0 "[ . 1 . 2]" 1
217 1 36 TRP HA 1 39 GLY H . . 4.380 3.804 3.412 4.221 . 0 0 "[ . 1 . 2]" 1
218 1 36 TRP HA 1 40 LEU H . . 5.500 5.235 4.690 5.578 0.078 19 0 "[ . 1 . 2]" 1
219 1 36 TRP HB3 1 36 TRP HD1 . . 3.380 3.889 3.866 3.918 0.538 10 13 "[ ***** +*** * *-*]" 1
220 1 36 TRP HB3 1 36 TRP HE1 . . 5.180 5.276 5.241 5.301 0.121 10 0 "[ . 1 . 2]" 1
221 1 36 TRP HB3 1 36 TRP HE3 . . 4.050 2.496 2.413 2.600 . 0 0 "[ . 1 . 2]" 1
222 1 36 TRP HB3 1 37 ALA H . . 3.900 2.364 2.264 2.433 . 0 0 "[ . 1 . 2]" 1
223 1 36 TRP HB3 1 37 ALA MB . . 5.340 3.869 3.748 4.048 . 0 0 "[ . 1 . 2]" 1
224 1 36 TRP HB3 1 92 LEU QD . . 4.110 4.031 3.615 4.432 0.322 5 0 "[ . 1 . 2]" 1
225 1 36 TRP HD1 1 40 LEU MD1 . . 4.190 3.976 3.629 4.273 0.083 14 0 "[ . 1 . 2]" 1
226 1 36 TRP HD1 1 40 LEU MD2 . . 4.370 4.275 3.354 4.465 0.095 6 0 "[ . 1 . 2]" 1
227 1 36 TRP HD1 1 40 LEU HG . . 5.380 4.189 3.869 4.662 . 0 0 "[ . 1 . 2]" 1
228 1 36 TRP HE1 1 40 LEU MD1 . . 3.720 2.732 2.449 3.266 . 0 0 "[ . 1 . 2]" 1
229 1 36 TRP HE1 1 40 LEU MD2 . . 4.050 3.155 2.473 3.709 . 0 0 "[ . 1 . 2]" 1
230 1 36 TRP HE1 1 40 LEU HG . . 5.230 4.013 3.484 4.687 . 0 0 "[ . 1 . 2]" 1
231 1 36 TRP HE1 1 84 THR MG . . 5.030 4.010 3.158 4.840 . 0 0 "[ . 1 . 2]" 1
232 1 36 TRP HE3 1 37 ALA H . . 3.890 2.838 2.393 3.177 . 0 0 "[ . 1 . 2]" 1
233 1 36 TRP HE3 1 37 ALA HA . . 5.110 3.937 3.299 4.341 . 0 0 "[ . 1 . 2]" 1
234 1 36 TRP HE3 1 37 ALA MB . . 3.940 2.794 2.339 3.178 . 0 0 "[ . 1 . 2]" 1
235 1 36 TRP HE3 1 72 LEU QD . . 3.620 3.388 2.981 3.708 0.088 6 0 "[ . 1 . 2]" 1
236 1 36 TRP HE3 1 76 LEU QD . . 4.090 3.856 3.255 4.078 . 0 0 "[ . 1 . 2]" 1
237 1 36 TRP HE3 1 92 LEU QD . . 4.930 4.570 4.143 4.939 0.009 18 0 "[ . 1 . 2]" 1
238 1 36 TRP HH2 1 40 LEU MD1 . . 4.190 3.459 3.084 3.806 . 0 0 "[ . 1 . 2]" 1
239 1 36 TRP HH2 1 40 LEU MD2 . . 5.500 5.511 4.961 5.599 0.099 10 0 "[ . 1 . 2]" 1
240 1 36 TRP HH2 1 76 LEU QD . . 5.310 3.309 2.421 4.134 . 0 0 "[ . 1 . 2]" 1
241 1 36 TRP HH2 1 80 ALA MB . . 3.420 2.399 2.116 2.801 . 0 0 "[ . 1 . 2]" 1
242 1 36 TRP HH2 1 84 THR MG . . 3.600 2.912 2.216 3.556 . 0 0 "[ . 1 . 2]" 1
243 1 36 TRP HH2 1 85 ILE H . . 4.870 3.672 3.228 4.304 . 0 0 "[ . 1 . 2]" 1
244 1 36 TRP HH2 1 85 ILE HA . . 3.250 2.469 2.201 2.977 . 0 0 "[ . 1 . 2]" 1
245 1 36 TRP HH2 1 85 ILE MD . . 4.340 3.963 3.601 4.431 0.091 13 0 "[ . 1 . 2]" 1
246 1 36 TRP HH2 1 85 ILE HG13 . . 3.580 2.904 2.669 3.291 . 0 0 "[ . 1 . 2]" 1
247 1 36 TRP HZ2 1 40 LEU MD1 . . 3.240 2.544 2.277 2.788 . 0 0 "[ . 1 . 2]" 1
248 1 36 TRP HZ2 1 40 LEU MD2 . . 4.320 4.026 3.760 4.289 . 0 0 "[ . 1 . 2]" 1
249 1 36 TRP HZ2 1 80 ALA MB . . 3.980 2.483 2.144 3.129 . 0 0 "[ . 1 . 2]" 1
250 1 36 TRP HZ2 1 84 THR MG . . 3.090 2.186 1.982 2.615 . 0 0 "[ . 1 . 2]" 1
251 1 36 TRP HZ2 1 85 ILE H . . 4.780 4.757 4.236 4.863 0.083 13 0 "[ . 1 . 2]" 1
252 1 36 TRP HZ2 1 85 ILE HA . . 4.430 4.277 3.959 4.492 0.062 13 0 "[ . 1 . 2]" 1
253 1 36 TRP HZ3 1 37 ALA MB . . 4.420 3.403 2.698 4.192 . 0 0 "[ . 1 . 2]" 1
254 1 36 TRP HZ3 1 72 LEU QD . . 3.600 2.616 2.058 3.421 . 0 0 "[ . 1 . 2]" 1
255 1 36 TRP HZ3 1 76 LEU QD . . 3.980 2.945 2.231 3.839 . 0 0 "[ . 1 . 2]" 1
256 1 36 TRP HZ3 1 85 ILE HA . . 3.890 3.196 2.645 3.967 0.077 6 0 "[ . 1 . 2]" 1
257 1 36 TRP HZ3 1 85 ILE HG13 . . 5.000 4.667 4.163 5.114 0.114 10 0 "[ . 1 . 2]" 1
258 1 37 ALA H 1 37 ALA MB . . 3.040 2.177 2.129 2.238 . 0 0 "[ . 1 . 2]" 1
259 1 37 ALA H 1 38 ALA H . . 3.820 2.905 2.751 2.992 . 0 0 "[ . 1 . 2]" 1
260 1 37 ALA H 1 38 ALA MB . . 4.460 4.474 4.279 4.547 0.087 19 0 "[ . 1 . 2]" 1
261 1 37 ALA H 1 39 GLY H . . 4.990 4.395 4.042 4.848 . 0 0 "[ . 1 . 2]" 1
262 1 37 ALA H 1 40 LEU H . . 5.500 5.099 4.832 5.279 . 0 0 "[ . 1 . 2]" 1
263 1 37 ALA H 1 40 LEU MD1 . . 5.460 4.199 3.831 4.707 . 0 0 "[ . 1 . 2]" 1
264 1 37 ALA H 1 51 TYR QE . . 4.720 4.196 3.866 4.447 . 0 0 "[ . 1 . 2]" 1
265 1 37 ALA H 1 72 LEU QD . . 4.410 4.224 3.603 4.452 0.042 20 0 "[ . 1 . 2]" 1
266 1 37 ALA H 1 76 LEU QD . . 5.060 4.168 3.975 4.356 . 0 0 "[ . 1 . 2]" 1
267 1 37 ALA HA 1 40 LEU H . . 3.840 3.197 2.978 3.381 . 0 0 "[ . 1 . 2]" 1
268 1 37 ALA HA 1 40 LEU HB3 . . 4.060 4.133 4.118 4.143 0.083 9 0 "[ . 1 . 2]" 1
269 1 37 ALA HA 1 40 LEU MD1 . . 3.470 2.199 2.007 2.646 . 0 0 "[ . 1 . 2]" 1
270 1 37 ALA HA 1 40 LEU MD2 . . 4.490 4.405 3.935 4.583 0.093 15 0 "[ . 1 . 2]" 1
271 1 37 ALA HA 1 40 LEU HG . . 4.120 3.045 2.441 3.486 . 0 0 "[ . 1 . 2]" 1
272 1 37 ALA HA 1 41 LEU H . . 4.610 4.090 3.892 4.294 . 0 0 "[ . 1 . 2]" 1
273 1 37 ALA HA 1 72 LEU QD . . 4.830 4.467 3.890 4.841 0.011 20 0 "[ . 1 . 2]" 1
274 1 37 ALA HA 1 76 LEU QD . . 3.310 2.526 2.291 2.770 . 0 0 "[ . 1 . 2]" 1
275 1 37 ALA MB 1 38 ALA H . . 3.610 2.727 2.600 2.952 . 0 0 "[ . 1 . 2]" 1
276 1 37 ALA MB 1 41 LEU QD . . 4.060 2.562 2.187 2.823 . 0 0 "[ . 1 . 2]" 1
277 1 37 ALA MB 1 51 TYR QD . . 4.570 3.534 3.120 3.902 . 0 0 "[ . 1 . 2]" 1
278 1 37 ALA MB 1 51 TYR QE . . 2.640 2.087 1.986 2.233 . 0 0 "[ . 1 . 2]" 1
279 1 37 ALA MB 1 72 LEU QD . . 3.460 2.438 2.012 2.902 . 0 0 "[ . 1 . 2]" 1
280 1 37 ALA MB 1 75 ASP HB3 . . 4.540 3.969 3.521 4.332 . 0 0 "[ . 1 . 2]" 1
281 1 37 ALA MB 1 76 LEU QD . . 2.830 1.965 1.856 2.070 . 0 0 "[ . 1 . 2]" 1
282 1 38 ALA H 1 38 ALA MB . . 3.050 2.202 2.161 2.238 . 0 0 "[ . 1 . 2]" 1
283 1 38 ALA H 1 39 GLY H . . 3.620 2.886 2.641 3.142 . 0 0 "[ . 1 . 2]" 1
284 1 38 ALA H 1 40 LEU H . . 5.320 4.180 4.047 4.409 . 0 0 "[ . 1 . 2]" 1
285 1 38 ALA H 1 41 LEU H . . 5.500 4.920 4.775 5.080 . 0 0 "[ . 1 . 2]" 1
286 1 38 ALA H 1 41 LEU QD . . 5.500 3.776 3.518 4.017 . 0 0 "[ . 1 . 2]" 1
287 1 38 ALA H 1 51 TYR HB3 . . 5.500 4.507 4.138 4.949 . 0 0 "[ . 1 . 2]" 1
288 1 38 ALA H 1 51 TYR QD . . 3.760 3.196 2.950 3.461 . 0 0 "[ . 1 . 2]" 1
289 1 38 ALA H 1 51 TYR QE . . 3.920 3.618 3.266 3.964 0.044 3 0 "[ . 1 . 2]" 1
290 1 38 ALA HA 1 41 LEU H . . 3.850 3.620 3.375 3.810 . 0 0 "[ . 1 . 2]" 1
291 1 38 ALA HA 1 41 LEU QD . . 3.640 2.547 2.185 2.968 . 0 0 "[ . 1 . 2]" 1
292 1 38 ALA HA 1 41 LEU HG . . 4.530 4.320 4.040 4.590 0.060 2 0 "[ . 1 . 2]" 1
293 1 38 ALA HA 1 43 LYS HG3 . . 3.240 3.154 2.255 3.324 0.084 9 0 "[ . 1 . 2]" 1
294 1 38 ALA HA 1 48 ALA HA . . 4.590 4.010 3.787 4.206 . 0 0 "[ . 1 . 2]" 1
295 1 38 ALA HA 1 51 TYR QD . . 3.880 3.618 3.115 3.952 0.072 3 0 "[ . 1 . 2]" 1
296 1 38 ALA HA 1 51 TYR QE . . 5.080 4.385 3.820 4.776 . 0 0 "[ . 1 . 2]" 1
297 1 38 ALA MB 1 39 GLY H . . 3.430 2.579 2.454 2.794 . 0 0 "[ . 1 . 2]" 1
298 1 38 ALA MB 1 39 GLY HA3 . . 5.500 4.218 4.031 4.480 . 0 0 "[ . 1 . 2]" 1
299 1 38 ALA MB 1 41 LEU QD . . 4.660 3.819 3.482 4.180 . 0 0 "[ . 1 . 2]" 1
300 1 38 ALA MB 1 43 LYS HA . . 5.440 5.209 4.724 5.518 0.078 11 0 "[ . 1 . 2]" 1
301 1 38 ALA MB 1 48 ALA HA . . 3.200 2.236 2.042 2.551 . 0 0 "[ . 1 . 2]" 1
302 1 38 ALA MB 1 48 ALA MB . . 3.260 2.258 1.993 2.626 . 0 0 "[ . 1 . 2]" 1
303 1 38 ALA MB 1 51 TYR HB3 . . 3.860 2.388 2.180 2.717 . 0 0 "[ . 1 . 2]" 1
304 1 38 ALA MB 1 51 TYR QD . . 3.270 2.608 2.347 2.894 . 0 0 "[ . 1 . 2]" 1
305 1 38 ALA MB 1 51 TYR QE . . 4.310 4.173 3.804 4.414 0.104 6 0 "[ . 1 . 2]" 1
306 1 39 GLY H 1 39 GLY HA2 . . 2.930 2.865 2.805 2.906 . 0 0 "[ . 1 . 2]" 1
307 1 39 GLY H 1 40 LEU H . . 3.520 2.673 2.572 2.904 . 0 0 "[ . 1 . 2]" 1
308 1 39 GLY H 1 41 LEU QD . . 5.500 4.753 4.569 5.003 . 0 0 "[ . 1 . 2]" 1
309 1 39 GLY HA2 1 40 LEU HG . . 5.110 5.186 5.159 5.202 0.092 5 0 "[ . 1 . 2]" 1
310 1 39 GLY HA3 1 40 LEU MD1 . . 5.500 5.402 5.147 5.583 0.083 13 0 "[ . 1 . 2]" 1
311 1 39 GLY HA3 1 40 LEU HG . . 5.070 4.040 3.781 4.272 . 0 0 "[ . 1 . 2]" 1
312 1 40 LEU H 1 40 LEU HB3 . . 3.690 3.580 3.515 3.686 . 0 0 "[ . 1 . 2]" 1
313 1 40 LEU H 1 40 LEU MD1 . . 4.590 3.692 3.400 4.092 . 0 0 "[ . 1 . 2]" 1
314 1 40 LEU H 1 40 LEU MD2 . . 3.700 3.655 3.334 3.810 0.110 1 0 "[ . 1 . 2]" 1
315 1 40 LEU H 1 40 LEU HG . . 3.340 2.576 2.149 3.087 . 0 0 "[ . 1 . 2]" 1
316 1 40 LEU H 1 41 LEU H . . 3.270 2.323 2.005 2.592 . 0 0 "[ . 1 . 2]" 1
317 1 40 LEU H 1 41 LEU QD . . 5.500 3.821 3.429 4.344 . 0 0 "[ . 1 . 2]" 1
318 1 40 LEU H 1 42 GLY H . . 4.800 3.565 3.133 3.951 . 0 0 "[ . 1 . 2]" 1
319 1 40 LEU H 1 76 LEU QD . . 5.160 3.831 3.596 4.131 . 0 0 "[ . 1 . 2]" 1
320 1 40 LEU HA 1 40 LEU MD1 . . 3.930 3.851 3.794 3.923 . 0 0 "[ . 1 . 2]" 1
321 1 40 LEU HA 1 40 LEU MD2 . . 2.750 2.105 2.025 2.280 . 0 0 "[ . 1 . 2]" 1
322 1 40 LEU HA 1 40 LEU HG . . 3.520 3.050 2.837 3.244 . 0 0 "[ . 1 . 2]" 1
323 1 40 LEU HA 1 42 GLY H . . 4.360 4.048 3.568 4.418 0.058 2 0 "[ . 1 . 2]" 1
324 1 40 LEU HB3 1 41 LEU H . . 4.080 3.559 3.392 3.743 . 0 0 "[ . 1 . 2]" 1
325 1 40 LEU MD1 1 41 LEU H . . 4.970 4.459 4.258 4.661 . 0 0 "[ . 1 . 2]" 1
326 1 40 LEU MD1 1 76 LEU HB3 . . 5.410 3.407 2.984 4.085 . 0 0 "[ . 1 . 2]" 1
327 1 40 LEU MD1 1 76 LEU QD . . 3.320 2.306 1.959 2.796 . 0 0 "[ . 1 . 2]" 1
328 1 40 LEU MD1 1 79 LYS HB3 . . 5.150 3.511 2.892 4.121 . 0 0 "[ . 1 . 2]" 1
329 1 40 LEU MD1 1 80 ALA H . . 5.500 4.348 3.916 4.942 . 0 0 "[ . 1 . 2]" 1
330 1 40 LEU MD1 1 80 ALA HA . . 4.970 4.144 3.872 4.551 . 0 0 "[ . 1 . 2]" 1
331 1 40 LEU MD1 1 80 ALA MB . . 3.600 2.102 1.988 2.279 . 0 0 "[ . 1 . 2]" 1
332 1 40 LEU MD2 1 41 LEU H . . 4.740 4.703 4.610 4.786 0.046 6 0 "[ . 1 . 2]" 1
333 1 40 LEU MD2 1 79 LYS HA . . 4.790 4.534 3.927 4.880 0.090 15 0 "[ . 1 . 2]" 1
334 1 40 LEU MD2 1 79 LYS HB3 . . 5.010 3.162 2.476 3.607 . 0 0 "[ . 1 . 2]" 1
335 1 40 LEU MD2 1 80 ALA MB . . 3.360 3.308 2.697 3.492 0.132 4 0 "[ . 1 . 2]" 1
336 1 40 LEU HG 1 41 LEU H . . 4.600 4.355 4.050 4.514 . 0 0 "[ . 1 . 2]" 1
337 1 41 LEU H 1 41 LEU QD . . 3.950 2.477 1.958 3.013 . 0 0 "[ . 1 . 2]" 1
338 1 41 LEU H 1 42 GLY H . . 3.270 2.575 2.378 2.802 . 0 0 "[ . 1 . 2]" 1
339 1 41 LEU H 1 42 GLY HA2 . . 5.040 4.814 4.490 5.095 0.055 4 0 "[ . 1 . 2]" 1
340 1 41 LEU H 1 43 LYS H . . 4.450 4.198 3.935 4.518 0.068 2 0 "[ . 1 . 2]" 1
341 1 41 LEU H 1 76 LEU QD . . 4.450 3.203 2.777 3.755 . 0 0 "[ . 1 . 2]" 1
342 1 41 LEU HA 1 41 LEU QD . . 2.770 2.263 2.039 2.581 . 0 0 "[ . 1 . 2]" 1
343 1 41 LEU HA 1 41 LEU HG . . 3.630 3.286 2.591 3.695 0.065 12 0 "[ . 1 . 2]" 1
344 1 41 LEU HA 1 42 GLY H . . 3.570 3.488 3.408 3.586 0.016 1 0 "[ . 1 . 2]" 1
345 1 41 LEU HA 1 76 LEU QD . . 4.720 3.699 3.250 4.361 . 0 0 "[ . 1 . 2]" 1
346 1 41 LEU HB3 1 42 GLY H . . 4.240 3.708 3.240 4.302 0.062 16 0 "[ . 1 . 2]" 1
347 1 41 LEU QD 1 42 GLY H . . 5.380 3.989 3.685 4.478 . 0 0 "[ . 1 . 2]" 1
348 1 41 LEU QD 1 51 TYR QD . . 3.900 3.174 2.642 3.713 . 0 0 "[ . 1 . 2]" 1
349 1 41 LEU QD 1 51 TYR QE . . 3.310 2.405 2.157 2.732 . 0 0 "[ . 1 . 2]" 1
350 1 41 LEU QD 1 75 ASP HA . . 5.080 3.306 2.742 3.622 . 0 0 "[ . 1 . 2]" 1
351 1 41 LEU QD 1 75 ASP HB3 . . 4.330 2.439 2.084 2.869 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU QD 1 76 LEU H . . 4.690 4.001 3.629 4.366 . 0 0 "[ . 1 . 2]" 1
353 1 41 LEU QD 1 76 LEU HA . . 3.570 3.167 2.881 3.501 . 0 0 "[ . 1 . 2]" 1
354 1 41 LEU QD 1 76 LEU QD . . 3.320 1.993 1.749 2.429 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU QD 1 76 LEU HG . . 5.500 3.977 3.043 4.798 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU QD 1 77 GLU H . . 5.420 4.633 4.084 5.083 . 0 0 "[ . 1 . 2]" 1
357 1 41 LEU HG 1 42 GLY H . . 4.950 4.814 4.330 5.038 0.088 10 0 "[ . 1 . 2]" 1
358 1 41 LEU HG 1 51 TYR QE . . 4.750 3.598 2.322 4.836 0.086 9 0 "[ . 1 . 2]" 1
359 1 41 LEU HG 1 76 LEU QD . . 3.870 3.148 2.034 3.950 0.080 18 0 "[ . 1 . 2]" 1
360 1 42 GLY H 1 43 LYS H . . 3.190 2.276 1.938 2.768 . 0 0 "[ . 1 . 2]" 1
361 1 42 GLY H 1 43 LYS HA . . 5.290 4.854 4.550 5.283 . 0 0 "[ . 1 . 2]" 1
362 1 42 GLY HA2 1 43 LYS HA . . 4.530 4.575 4.346 4.621 0.091 10 0 "[ . 1 . 2]" 1
363 1 43 LYS H 1 43 LYS HB3 . . 3.520 3.641 3.578 3.729 0.209 18 0 "[ . 1 . 2]" 1
364 1 43 LYS H 1 43 LYS HG3 . . 4.390 3.759 2.829 4.107 . 0 0 "[ . 1 . 2]" 1
365 1 43 LYS H 1 44 THR H . . 4.640 4.576 4.350 4.675 0.035 13 0 "[ . 1 . 2]" 1
366 1 43 LYS HA 1 43 LYS HG3 . . 3.830 3.850 3.758 3.907 0.077 10 0 "[ . 1 . 2]" 1
367 1 43 LYS HA 1 44 THR H . . 2.600 2.396 2.238 2.625 0.025 17 0 "[ . 1 . 2]" 1
368 1 43 LYS HB3 1 43 LYS HG3 . . 2.930 2.447 2.342 2.988 0.058 2 0 "[ . 1 . 2]" 1
369 1 43 LYS HB3 1 44 THR H . . 4.160 2.576 2.247 3.610 . 0 0 "[ . 1 . 2]" 1
370 1 43 LYS HB3 1 47 ASP HB3 . . 5.170 2.389 2.129 2.765 . 0 0 "[ . 1 . 2]" 1
371 1 43 LYS HB3 1 48 ALA H . . 4.800 3.068 2.781 4.554 . 0 0 "[ . 1 . 2]" 1
372 1 43 LYS HB3 1 48 ALA HA . . 3.860 2.674 2.303 3.944 0.084 2 0 "[ . 1 . 2]" 1
373 1 43 LYS HG3 1 44 THR H . . 4.830 4.844 4.436 4.910 0.080 20 0 "[ . 1 . 2]" 1
374 1 44 THR H 1 44 THR HB . . 4.130 3.800 3.675 3.907 . 0 0 "[ . 1 . 2]" 1
375 1 44 THR H 1 44 THR MG . . 3.420 3.314 2.979 3.530 0.110 16 0 "[ . 1 . 2]" 1
376 1 44 THR H 1 47 ASP H . . 5.280 3.973 2.986 4.368 . 0 0 "[ . 1 . 2]" 1
377 1 44 THR H 1 47 ASP HB3 . . 3.770 3.257 1.972 3.870 0.100 1 0 "[ . 1 . 2]" 1
378 1 44 THR H 1 48 ALA H . . 4.090 3.455 2.692 3.787 . 0 0 "[ . 1 . 2]" 1
379 1 44 THR H 1 48 ALA HA . . 4.890 4.677 4.117 4.958 0.068 16 0 "[ . 1 . 2]" 1
380 1 44 THR H 1 48 ALA MB . . 3.630 3.293 2.965 3.674 0.044 7 0 "[ . 1 . 2]" 1
381 1 44 THR HA 1 44 THR HB . . 2.840 2.559 2.401 2.706 . 0 0 "[ . 1 . 2]" 1
382 1 44 THR HA 1 44 THR MG . . 2.940 2.335 2.207 2.545 . 0 0 "[ . 1 . 2]" 1
383 1 44 THR HA 1 45 GLY H . . 3.000 2.511 2.233 2.924 . 0 0 "[ . 1 . 2]" 1
384 1 44 THR HA 1 45 GLY HA2 . . 4.750 4.550 3.933 4.821 0.071 18 0 "[ . 1 . 2]" 1
385 1 44 THR HA 1 45 GLY HA3 . . 4.820 4.607 4.484 4.755 . 0 0 "[ . 1 . 2]" 1
386 1 44 THR HA 1 48 ALA H . . 4.410 4.262 3.914 4.477 0.067 13 0 "[ . 1 . 2]" 1
387 1 44 THR HA 1 48 ALA MB . . 3.190 2.891 2.211 3.311 0.121 17 0 "[ . 1 . 2]" 1
388 1 44 THR HB 1 45 GLY H . . 3.000 2.579 1.980 3.078 0.078 3 0 "[ . 1 . 2]" 1
389 1 44 THR HB 1 48 ALA MB . . 5.480 4.903 4.302 5.323 . 0 0 "[ . 1 . 2]" 1
390 1 45 GLY H 1 46 ASP H . . 5.500 4.219 2.862 4.635 . 0 0 "[ . 1 . 2]" 1
391 1 45 GLY H 1 46 ASP HA . . 5.360 5.420 5.228 5.455 0.095 19 0 "[ . 1 . 2]" 1
392 1 45 GLY H 1 48 ALA H . . 5.240 4.581 3.951 5.120 . 0 0 "[ . 1 . 2]" 1
393 1 45 GLY HA2 1 46 ASP H . . 3.390 3.327 3.043 3.494 0.104 17 0 "[ . 1 . 2]" 1
394 1 45 GLY HA3 1 47 ASP H . . 4.460 3.784 3.146 4.847 0.387 15 0 "[ . 1 . 2]" 1
395 1 46 ASP H 1 46 ASP HB3 . . 4.190 3.220 2.543 3.741 . 0 0 "[ . 1 . 2]" 1
396 1 46 ASP H 1 47 ASP H . . 3.500 2.163 1.697 2.808 . 0 0 "[ . 1 . 2]" 1
397 1 46 ASP H 1 48 ALA H . . 5.330 3.871 3.001 4.541 . 0 0 "[ . 1 . 2]" 1
398 1 46 ASP H 1 49 ARG H . . 5.500 4.768 4.184 5.244 . 0 0 "[ . 1 . 2]" 1
399 1 46 ASP HA 1 46 ASP HB3 . . 2.960 2.651 2.350 3.031 0.071 20 0 "[ . 1 . 2]" 1
400 1 46 ASP HA 1 48 ALA H . . 4.430 3.811 3.538 4.316 . 0 0 "[ . 1 . 2]" 1
401 1 46 ASP HA 1 48 ALA MB . . 5.450 4.362 3.926 4.888 . 0 0 "[ . 1 . 2]" 1
402 1 46 ASP HA 1 49 ARG H . . 3.600 3.007 2.744 3.619 0.019 17 0 "[ . 1 . 2]" 1
403 1 46 ASP HA 1 49 ARG HD3 . . 4.210 3.521 2.280 4.889 0.679 16 3 "[ . * 1 -.+ 2]" 1
404 1 46 ASP HA 1 49 ARG HG3 . . 4.410 2.706 2.442 3.210 . 0 0 "[ . 1 . 2]" 1
405 1 46 ASP HA 1 50 ALA H . . 4.730 4.105 3.651 4.654 . 0 0 "[ . 1 . 2]" 1
406 1 46 ASP HB3 1 47 ASP H . . 3.920 3.884 3.033 4.429 0.509 11 1 "[ . 1+ . 2]" 1
407 1 46 ASP HB3 1 50 ALA MB . . 5.500 5.075 3.628 6.824 1.324 2 2 "[ + . 1 - 2]" 1
408 1 47 ASP H 1 47 ASP HB3 . . 2.920 3.436 3.223 3.506 0.586 5 14 "[* *+****1*- *.****2]" 1
409 1 47 ASP H 1 48 ALA H . . 3.030 2.563 2.298 2.877 . 0 0 "[ . 1 . 2]" 1
410 1 47 ASP H 1 48 ALA MB . . 4.580 4.220 3.891 4.627 0.047 7 0 "[ . 1 . 2]" 1
411 1 47 ASP H 1 49 ARG H . . 4.280 3.993 3.746 4.185 . 0 0 "[ . 1 . 2]" 1
412 1 47 ASP HA 1 50 ALA H . . 4.010 3.561 3.165 3.908 . 0 0 "[ . 1 . 2]" 1
413 1 47 ASP HA 1 50 ALA MB . . 3.280 2.734 2.297 3.332 0.052 2 0 "[ . 1 . 2]" 1
414 1 47 ASP HA 1 51 TYR H . . 5.270 4.201 3.817 5.108 . 0 0 "[ . 1 . 2]" 1
415 1 47 ASP HB3 1 48 ALA H . . 3.460 3.303 2.840 3.502 0.042 6 0 "[ . 1 . 2]" 1
416 1 47 ASP HB3 1 48 ALA HA . . 4.850 4.009 3.701 4.304 . 0 0 "[ . 1 . 2]" 1
417 1 47 ASP HB3 1 48 ALA MB . . 4.520 4.261 3.862 4.416 . 0 0 "[ . 1 . 2]" 1
418 1 47 ASP HB3 1 49 ARG H . . 5.060 5.202 4.909 5.467 0.407 19 0 "[ . 1 . 2]" 1
419 1 48 ALA H 1 48 ALA MB . . 2.920 2.220 2.136 2.310 . 0 0 "[ . 1 . 2]" 1
420 1 48 ALA H 1 49 ARG H . . 3.020 2.420 2.363 2.492 . 0 0 "[ . 1 . 2]" 1
421 1 48 ALA H 1 49 ARG HA . . 5.040 5.108 5.090 5.125 0.085 8 0 "[ . 1 . 2]" 1
422 1 48 ALA H 1 50 ALA H . . 5.250 4.150 3.949 4.495 . 0 0 "[ . 1 . 2]" 1
423 1 48 ALA HA 1 51 TYR H . . 4.060 3.572 3.368 3.722 . 0 0 "[ . 1 . 2]" 1
424 1 48 ALA HA 1 51 TYR HB3 . . 3.590 2.948 2.497 3.352 . 0 0 "[ . 1 . 2]" 1
425 1 48 ALA HA 1 51 TYR QD . . 4.830 4.712 4.326 4.917 0.087 12 0 "[ . 1 . 2]" 1
426 1 48 ALA MB 1 49 ARG H . . 3.250 2.649 2.494 2.875 . 0 0 "[ . 1 . 2]" 1
427 1 48 ALA MB 1 49 ARG HA . . 3.970 3.889 3.702 4.024 0.054 18 0 "[ . 1 . 2]" 1
428 1 48 ALA MB 1 51 TYR H . . 4.790 4.776 4.620 4.870 0.080 10 0 "[ . 1 . 2]" 1
429 1 49 ARG H 1 49 ARG HD3 . . 4.340 4.523 3.992 5.132 0.792 16 8 "[ .****1 - *.+ *]" 1
430 1 49 ARG H 1 49 ARG HG3 . . 3.660 2.464 2.168 2.635 . 0 0 "[ . 1 . 2]" 1
431 1 49 ARG H 1 50 ALA H . . 3.340 2.635 2.399 2.835 . 0 0 "[ . 1 . 2]" 1
432 1 49 ARG H 1 51 TYR H . . 5.500 4.183 3.784 4.468 . 0 0 "[ . 1 . 2]" 1
433 1 49 ARG HA 1 49 ARG HG3 . . 3.680 3.146 2.921 3.391 . 0 0 "[ . 1 . 2]" 1
434 1 49 ARG HA 1 52 ALA H . . 4.250 3.482 3.294 3.705 . 0 0 "[ . 1 . 2]" 1
435 1 49 ARG HA 1 52 ALA MB . . 3.300 2.816 2.557 3.315 0.015 14 0 "[ . 1 . 2]" 1
436 1 49 ARG HA 1 53 LEU H . . 4.610 4.536 3.848 4.694 0.084 18 0 "[ . 1 . 2]" 1
437 1 49 ARG HA 1 53 LEU MD1 . . 4.210 3.557 2.646 4.954 0.744 10 2 "[ . -+ . 2]" 1
438 1 49 ARG HD3 1 53 LEU MD1 . . 4.540 4.306 3.289 5.369 0.829 9 2 "[ . +- . 2]" 1
439 1 50 ALA H 1 50 ALA MB . . 2.910 2.220 2.170 2.256 . 0 0 "[ . 1 . 2]" 1
440 1 50 ALA H 1 51 TYR H . . 3.860 2.967 2.853 3.127 . 0 0 "[ . 1 . 2]" 1
441 1 50 ALA HA 1 53 LEU H . . 4.320 3.501 3.095 3.792 . 0 0 "[ . 1 . 2]" 1
442 1 50 ALA HA 1 53 LEU HB3 . . 3.480 4.368 3.851 4.739 1.259 10 18 "[*******-*+*** **** *]" 1
443 1 50 ALA HA 1 53 LEU MD1 . . 3.730 3.195 2.157 3.806 0.076 17 0 "[ . 1 . 2]" 1
444 1 50 ALA MB 1 51 TYR H . . 3.960 2.445 2.211 2.679 . 0 0 "[ . 1 . 2]" 1
445 1 50 ALA MB 1 51 TYR HA . . 4.590 3.892 3.768 3.995 . 0 0 "[ . 1 . 2]" 1
446 1 51 TYR H 1 51 TYR HB3 . . 3.500 2.569 2.408 2.719 . 0 0 "[ . 1 . 2]" 1
447 1 51 TYR H 1 51 TYR QD . . 4.100 4.162 4.116 4.184 0.084 14 0 "[ . 1 . 2]" 1
448 1 51 TYR H 1 52 ALA H . . 3.880 2.911 2.778 3.020 . 0 0 "[ . 1 . 2]" 1
449 1 51 TYR HA 1 51 TYR QD . . 3.500 3.071 2.882 3.176 . 0 0 "[ . 1 . 2]" 1
450 1 51 TYR HA 1 51 TYR QE . . 4.650 4.597 4.372 4.722 0.072 13 0 "[ . 1 . 2]" 1
451 1 51 TYR HA 1 54 THR MG . . 3.730 2.637 2.187 3.094 . 0 0 "[ . 1 . 2]" 1
452 1 51 TYR HB3 1 52 ALA H . . 3.790 2.572 2.292 2.846 . 0 0 "[ . 1 . 2]" 1
453 1 51 TYR HB3 1 53 LEU H . . 5.500 4.858 4.710 5.030 . 0 0 "[ . 1 . 2]" 1
454 1 51 TYR HB3 1 54 THR MG . . 4.950 4.992 4.616 5.521 0.571 2 1 "[ + . 1 . 2]" 1
455 1 51 TYR QD 1 52 ALA H . . 3.770 3.334 3.114 3.487 . 0 0 "[ . 1 . 2]" 1
456 1 51 TYR QD 1 52 ALA HA . . 3.390 3.069 2.686 3.341 . 0 0 "[ . 1 . 2]" 1
457 1 51 TYR QD 1 54 THR MG . . 5.090 4.191 3.925 5.146 0.056 2 0 "[ . 1 . 2]" 1
458 1 51 TYR QE 1 52 ALA H . . 5.500 5.511 5.354 5.593 0.093 6 0 "[ . 1 . 2]" 1
459 1 51 TYR QE 1 52 ALA HA . . 4.610 4.433 4.007 4.668 0.058 17 0 "[ . 1 . 2]" 1
460 1 51 TYR QE 1 75 ASP HB3 . . 5.120 3.751 3.046 4.581 . 0 0 "[ . 1 . 2]" 1
461 1 52 ALA H 1 52 ALA MB . . 3.160 2.231 2.175 2.283 . 0 0 "[ . 1 . 2]" 1
462 1 52 ALA H 1 53 LEU H . . 4.060 2.700 2.444 2.903 . 0 0 "[ . 1 . 2]" 1
463 1 52 ALA HA 1 54 THR H . . 4.930 4.240 3.890 4.963 0.033 7 0 "[ . 1 . 2]" 1
464 1 52 ALA HA 1 55 VAL H . . 4.980 4.703 3.959 5.060 0.080 13 0 "[ . 1 . 2]" 1
465 1 52 ALA MB 1 53 LEU H . . 3.960 2.979 2.454 3.436 . 0 0 "[ . 1 . 2]" 1
466 1 52 ALA MB 1 53 LEU MD1 . . 3.630 3.771 3.243 4.422 0.792 9 3 "[ . +* . - 2]" 1
467 1 52 ALA MB 1 53 LEU HG . . 3.130 2.848 2.463 3.243 0.113 18 0 "[ . 1 . 2]" 1
468 1 53 LEU H 1 53 LEU HB3 . . 3.250 3.646 3.546 3.791 0.541 17 3 "[ . 1 - * + 2]" 1
469 1 53 LEU H 1 53 LEU MD1 . . 4.140 3.649 3.306 3.995 . 0 0 "[ . 1 . 2]" 1
470 1 53 LEU H 1 53 LEU HG . . 3.510 2.779 1.888 3.398 . 0 0 "[ . 1 . 2]" 1
471 1 53 LEU H 1 54 THR H . . 3.860 2.777 2.236 3.428 . 0 0 "[ . 1 . 2]" 1
472 1 53 LEU H 1 54 THR MG . . 5.040 3.686 3.232 4.779 . 0 0 "[ . 1 . 2]" 1
473 1 53 LEU HA 1 53 LEU HG . . 3.730 2.912 2.475 3.540 . 0 0 "[ . 1 . 2]" 1
474 1 53 LEU HA 1 56 VAL H . . 4.660 4.225 3.607 4.749 0.089 18 0 "[ . 1 . 2]" 1
475 1 53 LEU HA 1 56 VAL QG . . 3.510 2.462 2.026 3.198 . 0 0 "[ . 1 . 2]" 1
476 1 53 LEU HB3 1 53 LEU MD1 . . 3.400 2.565 2.416 2.797 . 0 0 "[ . 1 . 2]" 1
477 1 53 LEU HB3 1 54 THR H . . 4.490 4.299 3.666 4.642 0.152 18 0 "[ . 1 . 2]" 1
478 1 54 THR H 1 54 THR MG . . 3.320 2.360 1.881 3.166 . 0 0 "[ . 1 . 2]" 1
479 1 54 THR H 1 55 VAL H . . 3.720 2.281 1.863 2.919 . 0 0 "[ . 1 . 2]" 1
480 1 54 THR H 1 55 VAL HB . . 5.500 4.892 3.797 5.594 0.094 13 0 "[ . 1 . 2]" 1
481 1 54 THR H 1 55 VAL QG . . 4.710 3.327 2.668 4.065 . 0 0 "[ . 1 . 2]" 1
482 1 54 THR H 1 56 VAL H . . 4.330 3.988 2.947 4.420 0.090 6 0 "[ . 1 . 2]" 1
483 1 54 THR H 1 56 VAL QG . . 4.290 3.692 2.626 4.346 0.056 7 0 "[ . 1 . 2]" 1
484 1 54 THR HA 1 54 THR MG . . 3.310 3.124 2.238 3.287 . 0 0 "[ . 1 . 2]" 1
485 1 54 THR HA 1 56 VAL QG . . 4.590 4.409 4.087 4.574 . 0 0 "[ . 1 . 2]" 1
486 1 54 THR MG 1 55 VAL H . . 4.910 2.793 1.865 4.242 . 0 0 "[ . 1 . 2]" 1
487 1 55 VAL H 1 55 VAL HB . . 3.540 2.908 2.250 3.630 0.090 16 0 "[ . 1 . 2]" 1
488 1 55 VAL H 1 55 VAL QG . . 3.470 2.042 1.808 2.724 . 0 0 "[ . 1 . 2]" 1
489 1 55 VAL H 1 56 VAL H . . 4.100 2.831 2.198 3.494 . 0 0 "[ . 1 . 2]" 1
490 1 55 VAL HA 1 55 VAL QG . . 3.160 2.227 2.120 2.345 . 0 0 "[ . 1 . 2]" 1
491 1 55 VAL HA 1 56 VAL QG . . 5.160 4.518 4.035 4.818 . 0 0 "[ . 1 . 2]" 1
492 1 55 VAL HB 1 56 VAL H . . 4.310 4.248 3.493 4.392 0.082 8 0 "[ . 1 . 2]" 1
493 1 55 VAL QG 1 56 VAL H . . 4.150 3.201 2.024 3.865 . 0 0 "[ . 1 . 2]" 1
494 1 56 VAL H 1 56 VAL HB . . 3.710 3.001 2.558 3.575 . 0 0 "[ . 1 . 2]" 1
495 1 56 VAL H 1 56 VAL QG . . 3.580 2.266 1.943 2.813 . 0 0 "[ . 1 . 2]" 1
496 1 56 VAL H 1 57 THR H . . 4.640 3.811 2.268 4.622 . 0 0 "[ . 1 . 2]" 1
497 1 56 VAL H 1 57 THR MG . . 4.500 3.903 2.690 4.611 0.111 6 0 "[ . 1 . 2]" 1
498 1 56 VAL H 1 58 SER H . . 4.820 4.537 3.762 4.912 0.092 13 0 "[ . 1 . 2]" 1
499 1 56 VAL HB 1 57 THR H . . 4.420 4.253 3.574 4.495 0.075 18 0 "[ . 1 . 2]" 1
500 1 56 VAL QG 1 57 THR H . . 4.200 3.125 2.131 3.785 . 0 0 "[ . 1 . 2]" 1
501 1 56 VAL QG 1 57 THR HA . . 4.850 3.899 3.480 4.677 . 0 0 "[ . 1 . 2]" 1
502 1 56 VAL QG 1 57 THR HB . . 4.790 3.988 2.377 4.640 . 0 0 "[ . 1 . 2]" 1
503 1 57 THR H 1 57 THR MG . . 3.890 2.988 2.491 3.945 0.055 16 0 "[ . 1 . 2]" 1
504 1 57 THR H 1 58 SER H . . 5.230 2.459 1.538 3.957 . 0 0 "[ . 1 . 2]" 1
505 1 57 THR H 1 58 SER HB3 . . 5.500 5.435 4.036 6.774 1.274 11 2 "[ -. 1+ . 2]" 1
506 1 57 THR HA 1 57 THR MG . . 3.720 3.062 2.048 3.303 . 0 0 "[ . 1 . 2]" 1
507 1 57 THR HB 1 58 SER H . . 4.170 4.116 3.854 4.265 0.095 16 0 "[ . 1 . 2]" 1
508 1 57 THR MG 1 58 SER H . . 5.500 2.885 1.871 4.400 . 0 0 "[ . 1 . 2]" 1
509 1 57 THR MG 1 59 ASP H . . 5.500 4.984 3.741 5.600 0.100 1 0 "[ . 1 . 2]" 1
510 1 58 SER H 1 58 SER HB3 . . 4.180 3.504 2.618 4.075 . 0 0 "[ . 1 . 2]" 1
511 1 58 SER HB3 1 59 ASP H . . 4.580 3.533 1.926 4.635 0.055 6 0 "[ . 1 . 2]" 1
512 1 59 ASP H 1 59 ASP HB3 . . 3.630 3.296 2.370 3.838 0.208 18 0 "[ . 1 . 2]" 1
513 1 60 PHE HA 1 60 PHE QD . . 3.690 3.030 2.158 3.763 0.073 2 0 "[ . 1 . 2]" 1
514 1 63 PRO HA 1 64 GLY H . . 3.400 2.581 2.033 3.476 0.076 19 0 "[ . 1 . 2]" 1
515 1 63 PRO HG3 1 64 GLY H . . 5.500 5.245 3.975 5.876 0.376 2 0 "[ . 1 . 2]" 1
516 1 65 ASP H 1 65 ASP HB3 . . 3.950 3.453 2.275 4.025 0.075 1 0 "[ . 1 . 2]" 1
517 1 67 ASP H 1 67 ASP HB3 . . 4.010 2.882 2.238 3.759 . 0 0 "[ . 1 . 2]" 1
518 1 67 ASP H 1 68 VAL H . . 3.620 2.384 1.921 2.603 . 0 0 "[ . 1 . 2]" 1
519 1 67 ASP H 1 68 VAL HB . . 4.220 4.248 3.975 4.308 0.088 12 0 "[ . 1 . 2]" 1
520 1 67 ASP HA 1 70 ARG H . . 5.390 3.332 2.738 3.904 . 0 0 "[ . 1 . 2]" 1
521 1 67 ASP HA 1 70 ARG HB3 . . 4.040 3.647 2.786 4.118 0.078 18 0 "[ . 1 . 2]" 1
522 1 67 ASP HB3 1 68 VAL H . . 4.430 3.216 2.449 3.796 . 0 0 "[ . 1 . 2]" 1
523 1 67 ASP HB3 1 68 VAL QG . . 5.090 4.268 2.704 4.881 . 0 0 "[ . 1 . 2]" 1
524 1 68 VAL H 1 68 VAL HB . . 3.320 2.227 2.084 2.487 . 0 0 "[ . 1 . 2]" 1
525 1 68 VAL H 1 68 VAL QG . . 3.530 2.137 1.759 2.353 . 0 0 "[ . 1 . 2]" 1
526 1 68 VAL H 1 69 PHE H . . 4.620 2.826 2.618 3.050 . 0 0 "[ . 1 . 2]" 1
527 1 68 VAL HA 1 71 LYS H . . 4.360 3.244 2.993 3.471 . 0 0 "[ . 1 . 2]" 1
528 1 68 VAL HA 1 72 LEU H . . 5.500 3.972 3.582 4.787 . 0 0 "[ . 1 . 2]" 1
529 1 68 VAL HB 1 69 PHE H . . 3.900 3.587 2.902 3.984 0.084 10 0 "[ . 1 . 2]" 1
530 1 68 VAL QG 1 71 LYS H . . 4.780 4.220 3.999 4.359 . 0 0 "[ . 1 . 2]" 1
531 1 69 PHE H 1 69 PHE HB3 . . 3.710 2.363 2.192 2.626 . 0 0 "[ . 1 . 2]" 1
532 1 69 PHE HA 1 69 PHE QD . . 3.210 2.939 2.374 3.194 . 0 0 "[ . 1 . 2]" 1
533 1 69 PHE HA 1 72 LEU H . . 4.410 3.627 3.339 4.095 . 0 0 "[ . 1 . 2]" 1
534 1 69 PHE HA 1 72 LEU HB3 . . 4.810 4.422 3.685 4.882 0.072 6 0 "[ . 1 . 2]" 1
535 1 69 PHE HA 1 72 LEU HG . . 4.890 4.475 3.539 4.960 0.070 7 0 "[ . 1 . 2]" 1
536 1 69 PHE HA 1 73 ALA H . . 4.450 3.903 3.656 4.241 . 0 0 "[ . 1 . 2]" 1
537 1 69 PHE HA 1 73 ALA MB . . 4.850 4.339 3.974 4.677 . 0 0 "[ . 1 . 2]" 1
538 1 69 PHE HA 1 85 ILE MG . . 3.460 2.827 2.172 3.508 0.048 2 0 "[ . 1 . 2]" 1
539 1 69 PHE HB3 1 70 ARG H . . 4.580 2.515 2.239 2.755 . 0 0 "[ . 1 . 2]" 1
540 1 69 PHE QD 1 70 ARG H . . 4.780 2.976 2.525 3.315 . 0 0 "[ . 1 . 2]" 1
541 1 69 PHE QD 1 70 ARG HA . . 3.840 3.234 2.803 3.925 0.085 17 0 "[ . 1 . 2]" 1
542 1 69 PHE QD 1 73 ALA MB . . 4.660 3.734 3.362 4.539 . 0 0 "[ . 1 . 2]" 1
543 1 69 PHE QD 1 85 ILE HB . . 3.350 3.293 2.695 3.451 0.101 18 0 "[ . 1 . 2]" 1
544 1 69 PHE QD 1 85 ILE MD . . 4.500 3.954 3.403 4.297 . 0 0 "[ . 1 . 2]" 1
545 1 69 PHE QD 1 85 ILE MG . . 3.020 2.278 2.013 2.841 . 0 0 "[ . 1 . 2]" 1
546 1 69 PHE QD 1 86 ARG H . . 4.710 3.731 3.436 3.988 . 0 0 "[ . 1 . 2]" 1
547 1 69 PHE QD 1 86 ARG HG3 . . 4.360 3.355 2.168 4.437 0.077 17 0 "[ . 1 . 2]" 1
548 1 69 PHE QE 1 70 ARG HA . . 5.130 4.154 3.495 4.908 . 0 0 "[ . 1 . 2]" 1
549 1 69 PHE QE 1 82 GLU H . . 5.500 4.484 3.742 5.298 . 0 0 "[ . 1 . 2]" 1
550 1 69 PHE QE 1 82 GLU HA . . 3.310 2.191 1.922 3.095 . 0 0 "[ . 1 . 2]" 1
551 1 69 PHE QE 1 82 GLU HB3 . . 4.480 4.217 3.011 4.690 0.210 9 0 "[ . 1 . 2]" 1
552 1 69 PHE QE 1 85 ILE H . . 4.870 4.670 4.188 4.946 0.076 5 0 "[ . 1 . 2]" 1
553 1 69 PHE QE 1 85 ILE HB . . 3.340 2.597 2.249 3.177 . 0 0 "[ . 1 . 2]" 1
554 1 69 PHE QE 1 85 ILE MD . . 4.120 3.197 2.461 4.163 0.043 17 0 "[ . 1 . 2]" 1
555 1 69 PHE QE 1 85 ILE MG . . 3.690 3.143 2.751 3.750 0.060 5 0 "[ . 1 . 2]" 1
556 1 69 PHE QE 1 86 ARG H . . 4.200 3.219 2.656 3.807 . 0 0 "[ . 1 . 2]" 1
557 1 69 PHE QE 1 86 ARG HG3 . . 3.630 3.229 2.190 3.714 0.084 11 0 "[ . 1 . 2]" 1
558 1 70 ARG H 1 70 ARG HB3 . . 4.010 2.876 2.404 3.497 . 0 0 "[ . 1 . 2]" 1
559 1 70 ARG H 1 71 LYS H . . 4.150 2.736 2.487 2.953 . 0 0 "[ . 1 . 2]" 1
560 1 70 ARG HA 1 73 ALA H . . 4.110 3.603 3.287 3.914 . 0 0 "[ . 1 . 2]" 1
561 1 70 ARG HA 1 73 ALA MB . . 3.460 2.552 2.174 2.906 . 0 0 "[ . 1 . 2]" 1
562 1 71 LYS H 1 71 LYS HB3 . . 3.080 2.796 2.384 3.594 0.514 4 1 "[ +. 1 . 2]" 1
563 1 71 LYS H 1 72 LEU H . . 4.120 2.619 2.329 2.924 . 0 0 "[ . 1 . 2]" 1
564 1 71 LYS H 1 73 ALA H . . 5.200 3.965 3.605 4.309 . 0 0 "[ . 1 . 2]" 1
565 1 71 LYS H 1 74 ALA H . . 4.730 4.777 4.532 4.817 0.087 14 0 "[ . 1 . 2]" 1
566 1 71 LYS H 1 74 ALA MB . . 5.500 4.975 4.705 5.307 . 0 0 "[ . 1 . 2]" 1
567 1 71 LYS HA 1 71 LYS HB3 . . 2.860 2.969 2.556 3.070 0.210 1 0 "[ . 1 . 2]" 1
568 1 71 LYS HA 1 73 ALA H . . 5.410 4.553 4.310 4.793 . 0 0 "[ . 1 . 2]" 1
569 1 71 LYS HA 1 74 ALA H . . 4.290 3.645 3.298 3.936 . 0 0 "[ . 1 . 2]" 1
570 1 71 LYS HA 1 74 ALA MB . . 3.370 2.997 2.596 3.324 . 0 0 "[ . 1 . 2]" 1
571 1 71 LYS HB3 1 72 LEU H . . 3.810 2.653 2.290 3.743 . 0 0 "[ . 1 . 2]" 1
572 1 72 LEU H 1 72 LEU HB3 . . 4.100 3.519 3.469 3.610 . 0 0 "[ . 1 . 2]" 1
573 1 72 LEU H 1 72 LEU QD . . 4.160 2.621 2.192 3.136 . 0 0 "[ . 1 . 2]" 1
574 1 72 LEU H 1 72 LEU HG . . 4.700 3.483 2.481 4.081 . 0 0 "[ . 1 . 2]" 1
575 1 72 LEU H 1 73 ALA H . . 3.640 2.716 2.398 2.948 . 0 0 "[ . 1 . 2]" 1
576 1 72 LEU H 1 85 ILE MG . . 5.020 4.382 3.781 5.027 0.007 6 0 "[ . 1 . 2]" 1
577 1 72 LEU HA 1 72 LEU QD . . 2.920 2.157 1.932 2.576 . 0 0 "[ . 1 . 2]" 1
578 1 72 LEU HA 1 74 ALA H . . 5.080 4.270 3.711 4.656 . 0 0 "[ . 1 . 2]" 1
579 1 72 LEU HA 1 75 ASP H . . 4.130 3.486 2.989 4.116 . 0 0 "[ . 1 . 2]" 1
580 1 72 LEU HA 1 75 ASP HB3 . . 3.940 3.945 3.679 4.021 0.081 6 0 "[ . 1 . 2]" 1
581 1 72 LEU HA 1 76 LEU H . . 4.350 4.010 3.658 4.422 0.072 18 0 "[ . 1 . 2]" 1
582 1 72 LEU HA 1 76 LEU QD . . 4.870 3.264 2.782 4.374 . 0 0 "[ . 1 . 2]" 1
583 1 72 LEU HB3 1 73 ALA H . . 4.140 3.389 3.086 3.721 . 0 0 "[ . 1 . 2]" 1
584 1 72 LEU HB3 1 76 LEU QD . . 4.160 2.706 2.274 3.354 . 0 0 "[ . 1 . 2]" 1
585 1 72 LEU HB3 1 85 ILE MD . . 4.390 3.217 2.422 4.396 0.006 6 0 "[ . 1 . 2]" 1
586 1 72 LEU QD 1 75 ASP HB3 . . 5.010 3.999 3.406 4.657 . 0 0 "[ . 1 . 2]" 1
587 1 72 LEU QD 1 76 LEU QD . . 3.720 2.256 1.930 3.212 . 0 0 "[ . 1 . 2]" 1
588 1 73 ALA H 1 73 ALA MB . . 2.990 2.217 2.155 2.270 . 0 0 "[ . 1 . 2]" 1
589 1 73 ALA H 1 74 ALA H . . 3.290 2.768 2.673 2.856 . 0 0 "[ . 1 . 2]" 1
590 1 73 ALA H 1 74 ALA MB . . 4.390 4.429 4.344 4.470 0.080 10 0 "[ . 1 . 2]" 1
591 1 73 ALA H 1 75 ASP H . . 5.500 4.151 3.970 4.407 . 0 0 "[ . 1 . 2]" 1
592 1 73 ALA H 1 85 ILE MD . . 3.960 3.241 2.650 3.872 . 0 0 "[ . 1 . 2]" 1
593 1 73 ALA HA 1 76 LEU H . . 4.190 3.568 3.068 3.998 . 0 0 "[ . 1 . 2]" 1
594 1 73 ALA HA 1 76 LEU HB3 . . 5.110 5.015 4.451 5.182 0.072 7 0 "[ . 1 . 2]" 1
595 1 73 ALA HA 1 77 GLU H . . 5.240 4.591 3.779 4.887 . 0 0 "[ . 1 . 2]" 1
596 1 73 ALA HA 1 85 ILE MD . . 2.930 2.212 1.981 2.751 . 0 0 "[ . 1 . 2]" 1
597 1 73 ALA HA 1 85 ILE MG . . 5.100 4.068 3.740 4.330 . 0 0 "[ . 1 . 2]" 1
598 1 73 ALA MB 1 74 ALA H . . 3.260 2.680 2.373 3.018 . 0 0 "[ . 1 . 2]" 1
599 1 73 ALA MB 1 74 ALA HA . . 4.590 3.971 3.745 4.176 . 0 0 "[ . 1 . 2]" 1
600 1 73 ALA MB 1 74 ALA MB . . 4.630 3.768 3.497 4.152 . 0 0 "[ . 1 . 2]" 1
601 1 73 ALA MB 1 77 GLU H . . 5.500 5.246 4.543 5.573 0.073 9 0 "[ . 1 . 2]" 1
602 1 73 ALA MB 1 85 ILE MG . . 4.410 3.489 3.075 4.206 . 0 0 "[ . 1 . 2]" 1
603 1 74 ALA H 1 74 ALA MB . . 2.760 2.228 2.125 2.305 . 0 0 "[ . 1 . 2]" 1
604 1 74 ALA H 1 75 ASP H . . 3.310 2.669 2.288 3.051 . 0 0 "[ . 1 . 2]" 1
605 1 74 ALA H 1 76 LEU H . . 4.710 4.451 4.095 4.771 0.061 2 0 "[ . 1 . 2]" 1
606 1 74 ALA HA 1 77 GLU HB3 . . 4.560 4.436 4.015 4.633 0.073 3 0 "[ . 1 . 2]" 1
607 1 74 ALA MB 1 75 ASP H . . 3.790 3.007 2.326 3.571 . 0 0 "[ . 1 . 2]" 1
608 1 74 ALA MB 1 75 ASP HA . . 4.490 4.090 3.729 4.405 . 0 0 "[ . 1 . 2]" 1
609 1 75 ASP H 1 75 ASP HB3 . . 3.800 3.405 3.154 3.558 . 0 0 "[ . 1 . 2]" 1
610 1 75 ASP H 1 77 GLU H . . 5.500 3.830 2.764 4.444 . 0 0 "[ . 1 . 2]" 1
611 1 75 ASP HA 1 77 GLU H . . 4.720 3.965 3.558 4.530 . 0 0 "[ . 1 . 2]" 1
612 1 75 ASP HB3 1 76 LEU H . . 3.970 2.902 2.531 3.609 . 0 0 "[ . 1 . 2]" 1
613 1 75 ASP HB3 1 76 LEU QD . . 4.880 2.448 2.036 3.380 . 0 0 "[ . 1 . 2]" 1
614 1 76 LEU H 1 76 LEU HB3 . . 3.950 3.606 3.500 3.737 . 0 0 "[ . 1 . 2]" 1
615 1 76 LEU H 1 76 LEU QD . . 3.830 2.432 2.004 3.377 . 0 0 "[ . 1 . 2]" 1
616 1 76 LEU H 1 76 LEU HG . . 3.920 3.592 2.532 4.010 0.090 20 0 "[ . 1 . 2]" 1
617 1 76 LEU H 1 77 GLU H . . 3.190 2.940 2.452 3.169 . 0 0 "[ . 1 . 2]" 1
618 1 76 LEU HA 1 76 LEU HB3 . . 3.010 2.447 2.388 2.514 . 0 0 "[ . 1 . 2]" 1
619 1 76 LEU HA 1 76 LEU QD . . 2.850 2.155 2.069 2.235 . 0 0 "[ . 1 . 2]" 1
620 1 76 LEU HA 1 79 LYS H . . 4.530 3.749 3.491 4.014 . 0 0 "[ . 1 . 2]" 1
621 1 76 LEU HA 1 79 LYS HB3 . . 4.240 4.219 3.610 4.786 0.546 14 1 "[ . 1 +. 2]" 1
622 1 76 LEU HB3 1 77 GLU H . . 4.700 4.450 4.355 4.518 . 0 0 "[ . 1 . 2]" 1
623 1 76 LEU HB3 1 79 LYS H . . 5.180 3.432 3.171 3.947 . 0 0 "[ . 1 . 2]" 1
624 1 76 LEU HB3 1 80 ALA H . . 3.120 2.383 2.007 3.179 0.059 14 0 "[ . 1 . 2]" 1
625 1 76 LEU QD 1 77 GLU H . . 5.480 4.170 3.961 4.564 . 0 0 "[ . 1 . 2]" 1
626 1 76 LEU QD 1 79 LYS H . . 4.820 4.465 4.272 4.635 . 0 0 "[ . 1 . 2]" 1
627 1 76 LEU QD 1 79 LYS HB3 . . 4.420 3.306 2.470 3.922 . 0 0 "[ . 1 . 2]" 1
628 1 76 LEU QD 1 80 ALA H . . 4.610 3.950 3.730 4.115 . 0 0 "[ . 1 . 2]" 1
629 1 76 LEU QD 1 80 ALA MB . . 3.350 2.706 1.991 3.073 . 0 0 "[ . 1 . 2]" 1
630 1 77 GLU H 1 77 GLU HB3 . . 3.020 2.596 2.325 2.802 . 0 0 "[ . 1 . 2]" 1
631 1 77 GLU H 1 78 GLY H . . 4.380 4.378 4.170 4.462 0.082 1 0 "[ . 1 . 2]" 1
632 1 77 GLU H 1 79 LYS H . . 5.040 4.435 4.293 4.568 . 0 0 "[ . 1 . 2]" 1
633 1 77 GLU H 1 80 ALA H . . 5.500 5.158 5.013 5.542 0.042 14 0 "[ . 1 . 2]" 1
634 1 77 GLU HA 1 77 GLU HG3 . . 3.390 2.688 2.205 3.732 0.342 15 0 "[ . 1 . 2]" 1
635 1 77 GLU HA 1 78 GLY H . . 2.730 2.200 2.101 2.336 . 0 0 "[ . 1 . 2]" 1
636 1 77 GLU HA 1 79 LYS H . . 4.390 3.749 3.565 4.013 . 0 0 "[ . 1 . 2]" 1
637 1 77 GLU HA 1 80 ALA H . . 4.720 4.485 4.069 4.676 . 0 0 "[ . 1 . 2]" 1
638 1 77 GLU HB3 1 78 GLY H . . 4.410 4.384 4.168 4.479 0.069 17 0 "[ . 1 . 2]" 1
639 1 77 GLU HB3 1 78 GLY HA3 . . 5.330 4.907 4.670 5.215 . 0 0 "[ . 1 . 2]" 1
640 1 77 GLU HG3 1 78 GLY H . . 4.190 3.841 3.108 5.234 1.044 10 2 "[ . + - 2]" 1
641 1 78 GLY H 1 79 LYS H . . 3.400 2.548 2.120 3.028 . 0 0 "[ . 1 . 2]" 1
642 1 78 GLY H 1 80 ALA H . . 4.100 3.642 3.064 4.056 . 0 0 "[ . 1 . 2]" 1
643 1 78 GLY HA2 1 80 ALA H . . 5.500 4.709 4.166 5.242 . 0 0 "[ . 1 . 2]" 1
644 1 78 GLY HA3 1 80 ALA H . . 5.300 5.265 4.596 5.390 0.090 15 0 "[ . 1 . 2]" 1
645 1 79 LYS H 1 79 LYS HB3 . . 3.180 3.794 3.625 3.885 0.705 19 16 "[** ********* **-*+2]" 1
646 1 79 LYS H 1 79 LYS HD3 . . 5.010 3.658 2.173 5.090 0.080 20 0 "[ . 1 . 2]" 1
647 1 79 LYS H 1 80 ALA H . . 2.720 2.050 1.847 2.436 . 0 0 "[ . 1 . 2]" 1
648 1 79 LYS H 1 80 ALA HA . . 5.500 4.633 4.437 5.076 . 0 0 "[ . 1 . 2]" 1
649 1 79 LYS H 1 80 ALA MB . . 4.400 4.265 4.087 4.481 0.081 14 0 "[ . 1 . 2]" 1
650 1 79 LYS HA 1 79 LYS HB3 . . 2.970 2.410 2.294 2.572 . 0 0 "[ . 1 . 2]" 1
651 1 79 LYS HA 1 79 LYS HD3 . . 3.880 3.620 2.142 4.108 0.228 2 0 "[ . 1 . 2]" 1
652 1 79 LYS HB3 1 80 ALA H . . 4.030 3.868 3.484 4.125 0.095 12 0 "[ . 1 . 2]" 1
653 1 80 ALA H 1 80 ALA MB . . 3.330 2.650 2.542 2.751 . 0 0 "[ . 1 . 2]" 1
654 1 80 ALA H 1 81 ASP H . . 3.970 3.997 3.799 4.057 0.087 5 0 "[ . 1 . 2]" 1
655 1 80 ALA H 1 85 ILE MD . . 5.060 4.138 3.547 4.618 . 0 0 "[ . 1 . 2]" 1
656 1 80 ALA HA 1 81 ASP H . . 2.740 2.150 1.999 2.235 . 0 0 "[ . 1 . 2]" 1
657 1 80 ALA HA 1 84 THR MG . . 4.400 3.000 2.351 3.928 . 0 0 "[ . 1 . 2]" 1
658 1 80 ALA MB 1 81 ASP H . . 3.440 3.220 2.729 3.488 0.048 3 0 "[ . 1 . 2]" 1
659 1 80 ALA MB 1 84 THR H . . 5.300 4.401 4.102 4.727 . 0 0 "[ . 1 . 2]" 1
660 1 80 ALA MB 1 84 THR HB . . 4.390 3.344 2.020 4.474 0.084 8 0 "[ . 1 . 2]" 1
661 1 80 ALA MB 1 85 ILE H . . 3.860 3.472 2.944 3.884 0.024 3 0 "[ . 1 . 2]" 1
662 1 80 ALA MB 1 85 ILE HG13 . . 3.560 2.566 2.197 3.179 . 0 0 "[ . 1 . 2]" 1
663 1 80 ALA MB 1 85 ILE MG . . 4.650 4.401 3.908 4.756 0.106 16 0 "[ . 1 . 2]" 1
664 1 81 ASP H 1 81 ASP HB3 . . 3.830 3.636 3.552 3.792 . 0 0 "[ . 1 . 2]" 1
665 1 81 ASP H 1 82 GLU H . . 5.020 4.558 4.390 4.758 . 0 0 "[ . 1 . 2]" 1
666 1 81 ASP H 1 84 THR H . . 4.010 3.897 3.313 4.081 0.071 3 0 "[ . 1 . 2]" 1
667 1 81 ASP H 1 84 THR MG . . 4.160 3.242 2.160 4.230 0.070 16 0 "[ . 1 . 2]" 1
668 1 81 ASP H 1 85 ILE MD . . 5.500 4.520 4.042 5.016 . 0 0 "[ . 1 . 2]" 1
669 1 81 ASP HA 1 82 GLU H . . 3.060 2.519 2.366 2.702 . 0 0 "[ . 1 . 2]" 1
670 1 81 ASP HA 1 82 GLU HA . . 4.490 4.366 4.242 4.523 0.033 9 0 "[ . 1 . 2]" 1
671 1 81 ASP HA 1 83 GLU H . . 5.140 4.456 4.029 4.807 . 0 0 "[ . 1 . 2]" 1
672 1 81 ASP HA 1 85 ILE MD . . 4.740 3.384 2.642 3.957 . 0 0 "[ . 1 . 2]" 1
673 1 81 ASP HB3 1 82 GLU H . . 3.140 2.249 1.898 2.685 . 0 0 "[ . 1 . 2]" 1
674 1 81 ASP HB3 1 82 GLU HA . . 4.920 4.701 4.349 4.998 0.078 8 0 "[ . 1 . 2]" 1
675 1 81 ASP HB3 1 83 GLU H . . 4.150 3.029 1.944 3.715 . 0 0 "[ . 1 . 2]" 1
676 1 81 ASP HB3 1 84 THR H . . 5.260 4.563 3.827 5.265 0.005 1 0 "[ . 1 . 2]" 1
677 1 82 GLU H 1 82 GLU HB3 . . 3.230 2.537 2.218 3.321 0.091 17 0 "[ . 1 . 2]" 1
678 1 82 GLU H 1 85 ILE MD . . 5.500 3.658 3.022 4.073 . 0 0 "[ . 1 . 2]" 1
679 1 82 GLU HA 1 85 ILE H . . 3.840 3.487 3.180 3.898 0.058 12 0 "[ . 1 . 2]" 1
680 1 82 GLU HA 1 85 ILE HB . . 3.610 2.526 2.100 3.102 . 0 0 "[ . 1 . 2]" 1
681 1 82 GLU HA 1 85 ILE MD . . 3.590 2.774 2.084 3.232 . 0 0 "[ . 1 . 2]" 1
682 1 83 GLU H 1 83 GLU HB3 . . 2.900 2.555 2.265 3.137 0.237 17 0 "[ . 1 . 2]" 1
683 1 83 GLU H 1 84 THR H . . 3.230 2.915 2.771 3.106 . 0 0 "[ . 1 . 2]" 1
684 1 83 GLU H 1 86 ARG H . . 5.210 5.032 4.888 5.274 0.064 9 0 "[ . 1 . 2]" 1
685 1 83 GLU HA 1 83 GLU HB3 . . 2.960 3.037 2.978 3.058 0.098 14 0 "[ . 1 . 2]" 1
686 1 84 THR H 1 84 THR MG . . 4.210 3.063 2.171 3.897 . 0 0 "[ . 1 . 2]" 1
687 1 84 THR H 1 86 ARG H . . 5.460 3.917 3.596 4.309 . 0 0 "[ . 1 . 2]" 1
688 1 84 THR HA 1 84 THR MG . . 3.500 2.825 2.334 3.273 . 0 0 "[ . 1 . 2]" 1
689 1 84 THR HA 1 87 ALA H . . 3.510 3.476 3.214 3.577 0.067 1 0 "[ . 1 . 2]" 1
690 1 84 THR HA 1 87 ALA HA . . 5.110 5.140 4.946 5.207 0.097 6 0 "[ . 1 . 2]" 1
691 1 84 THR HB 1 85 ILE H . . 3.760 3.167 2.317 3.857 0.097 3 0 "[ . 1 . 2]" 1
692 1 84 THR MG 1 85 ILE H . . 3.670 2.922 2.111 3.695 0.025 12 0 "[ . 1 . 2]" 1
693 1 84 THR MG 1 85 ILE HG13 . . 5.500 3.447 2.547 4.178 . 0 0 "[ . 1 . 2]" 1
694 1 84 THR MG 1 86 ARG H . . 5.460 5.145 4.659 5.536 0.076 9 0 "[ . 1 . 2]" 1
695 1 85 ILE H 1 85 ILE HB . . 2.980 2.548 2.290 2.850 . 0 0 "[ . 1 . 2]" 1
696 1 85 ILE H 1 85 ILE MD . . 3.700 3.453 3.259 3.700 0.000 8 0 "[ . 1 . 2]" 1
697 1 85 ILE H 1 85 ILE HG13 . . 3.340 2.091 1.933 2.322 . 0 0 "[ . 1 . 2]" 1
698 1 85 ILE H 1 85 ILE MG . . 4.510 3.820 3.707 3.908 . 0 0 "[ . 1 . 2]" 1
699 1 85 ILE H 1 86 ARG H . . 3.730 2.997 2.785 3.251 . 0 0 "[ . 1 . 2]" 1
700 1 85 ILE H 1 87 ALA H . . 5.270 3.916 3.759 4.089 . 0 0 "[ . 1 . 2]" 1
701 1 85 ILE HA 1 85 ILE HG13 . . 3.260 2.963 2.814 3.137 . 0 0 "[ . 1 . 2]" 1
702 1 85 ILE HA 1 85 ILE MG . . 3.200 2.463 2.180 2.629 . 0 0 "[ . 1 . 2]" 1
703 1 85 ILE HA 1 87 ALA H . . 4.170 4.167 3.867 4.252 0.082 1 0 "[ . 1 . 2]" 1
704 1 85 ILE HA 1 88 LYS H . . 4.050 3.772 3.581 3.979 . 0 0 "[ . 1 . 2]" 1
705 1 85 ILE HA 1 88 LYS HB3 . . 3.970 4.879 4.552 5.204 1.234 13 20 [************+*-*****] 1
706 1 85 ILE HB 1 85 ILE MD . . 2.950 2.444 2.305 2.658 . 0 0 "[ . 1 . 2]" 1
707 1 85 ILE HB 1 86 ARG H . . 3.520 2.277 2.107 2.436 . 0 0 "[ . 1 . 2]" 1
708 1 85 ILE HB 1 87 ALA H . . 4.370 4.460 4.437 4.470 0.100 17 0 "[ . 1 . 2]" 1
709 1 85 ILE MD 1 85 ILE MG . . 3.220 2.070 1.994 2.153 . 0 0 "[ . 1 . 2]" 1
710 1 85 ILE MD 1 86 ARG H . . 5.500 4.305 4.118 4.505 . 0 0 "[ . 1 . 2]" 1
711 1 85 ILE MG 1 86 ARG H . . 3.920 3.213 2.908 3.562 . 0 0 "[ . 1 . 2]" 1
712 1 85 ILE MG 1 86 ARG HA . . 4.110 3.300 2.954 3.606 . 0 0 "[ . 1 . 2]" 1
713 1 85 ILE MG 1 89 MET HB3 . . 3.680 3.927 2.777 4.535 0.855 1 4 "[+ -. * .* 2]" 1
714 1 86 ARG H 1 86 ARG HB3 . . 3.950 3.447 3.255 3.670 . 0 0 "[ . 1 . 2]" 1
715 1 86 ARG H 1 86 ARG HD3 . . 5.050 5.198 4.272 5.700 0.650 13 4 "[ * 1 + * - 2]" 1
716 1 86 ARG H 1 86 ARG HG3 . . 3.940 3.586 2.436 4.017 0.077 5 0 "[ . 1 . 2]" 1
717 1 86 ARG H 1 87 ALA H . . 3.370 2.514 2.368 2.696 . 0 0 "[ . 1 . 2]" 1
718 1 86 ARG H 1 87 ALA MB . . 4.620 4.327 4.192 4.504 . 0 0 "[ . 1 . 2]" 1
719 1 86 ARG H 1 88 LYS H . . 5.500 4.592 4.351 4.875 . 0 0 "[ . 1 . 2]" 1
720 1 86 ARG HA 1 86 ARG HD3 . . 5.160 3.733 2.708 4.577 . 0 0 "[ . 1 . 2]" 1
721 1 86 ARG HA 1 89 MET H . . 4.280 3.439 3.185 3.715 . 0 0 "[ . 1 . 2]" 1
722 1 86 ARG HA 1 89 MET HB3 . . 4.440 2.447 2.082 3.229 . 0 0 "[ . 1 . 2]" 1
723 1 86 ARG HB3 1 86 ARG HD3 . . 3.450 3.413 2.651 3.737 0.287 7 0 "[ . 1 . 2]" 1
724 1 86 ARG HB3 1 87 ALA H . . 4.340 3.508 3.144 3.800 . 0 0 "[ . 1 . 2]" 1
725 1 86 ARG HD3 1 87 ALA H . . 5.490 6.207 5.494 6.740 1.250 6 13 "[ * *+**** **-* **2]" 1
726 1 87 ALA H 1 87 ALA MB . . 2.710 2.346 2.291 2.415 . 0 0 "[ . 1 . 2]" 1
727 1 87 ALA H 1 90 VAL H . . 5.330 4.786 4.700 4.962 . 0 0 "[ . 1 . 2]" 1
728 1 87 ALA H 1 90 VAL MG2 . . 4.950 4.914 4.763 5.016 0.066 12 0 "[ . 1 . 2]" 1
729 1 87 ALA HA 1 88 LYS HG3 . . 5.500 6.650 5.362 7.144 1.644 1 16 "[+ **.** ******** *-*]" 1
730 1 87 ALA HA 1 90 VAL H . . 4.050 3.613 3.434 3.858 . 0 0 "[ . 1 . 2]" 1
731 1 87 ALA HA 1 90 VAL HB . . 3.350 3.027 2.854 3.423 0.073 6 0 "[ . 1 . 2]" 1
732 1 87 ALA HA 1 90 VAL MG2 . . 3.480 3.521 3.228 3.591 0.111 12 0 "[ . 1 . 2]" 1
733 1 87 ALA MB 1 88 LYS H . . 3.640 2.328 2.115 2.540 . 0 0 "[ . 1 . 2]" 1
734 1 87 ALA MB 1 88 LYS HA . . 4.700 3.916 3.739 4.097 . 0 0 "[ . 1 . 2]" 1
735 1 87 ALA MB 1 89 MET H . . 5.500 4.458 4.315 4.659 . 0 0 "[ . 1 . 2]" 1
736 1 87 ALA MB 1 90 VAL H . . 5.500 4.696 4.506 4.818 . 0 0 "[ . 1 . 2]" 1
737 1 88 LYS H 1 88 LYS HB3 . . 3.110 3.624 3.580 3.677 0.567 7 14 "[***-. +* *****.*** 2]" 1
738 1 88 LYS H 1 88 LYS HG3 . . 4.750 3.271 2.271 3.713 . 0 0 "[ . 1 . 2]" 1
739 1 88 LYS H 1 89 MET H . . 3.410 2.796 2.678 2.904 . 0 0 "[ . 1 . 2]" 1
740 1 88 LYS H 1 90 VAL HB . . 5.310 5.376 5.335 5.395 0.085 6 0 "[ . 1 . 2]" 1
741 1 88 LYS HA 1 90 VAL H . . 4.820 4.376 3.822 4.840 0.020 20 0 "[ . 1 . 2]" 1
742 1 88 LYS HA 1 91 GLU H . . 3.880 3.362 3.074 3.677 . 0 0 "[ . 1 . 2]" 1
743 1 88 LYS HA 1 92 LEU H . . 4.630 4.168 3.191 4.679 0.049 4 0 "[ . 1 . 2]" 1
744 1 88 LYS HA 1 92 LEU HG . . 4.640 3.784 3.082 4.739 0.099 5 0 "[ . 1 . 2]" 1
745 1 88 LYS HB3 1 89 MET H . . 4.050 3.625 3.452 3.769 . 0 0 "[ . 1 . 2]" 1
746 1 88 LYS HB3 1 92 LEU QD . . 5.220 2.593 2.029 3.123 . 0 0 "[ . 1 . 2]" 1
747 1 89 MET H 1 89 MET HB3 . . 3.350 2.378 2.115 2.690 . 0 0 "[ . 1 . 2]" 1
748 1 89 MET H 1 90 VAL H . . 3.560 2.847 2.727 2.943 . 0 0 "[ . 1 . 2]" 1
749 1 89 MET HA 1 92 LEU QD . . 4.080 3.704 2.852 4.125 0.045 14 0 "[ . 1 . 2]" 1
750 1 89 MET HB3 1 90 VAL H . . 4.970 2.951 2.505 3.914 . 0 0 "[ . 1 . 2]" 1
751 1 90 VAL H 1 90 VAL HB . . 3.020 2.348 2.266 2.446 . 0 0 "[ . 1 . 2]" 1
752 1 90 VAL H 1 90 VAL MG1 . . 3.840 3.736 3.685 3.803 . 0 0 "[ . 1 . 2]" 1
753 1 90 VAL H 1 90 VAL MG2 . . 2.910 2.338 2.132 2.641 . 0 0 "[ . 1 . 2]" 1
754 1 90 VAL H 1 91 GLU H . . 3.040 2.666 2.295 3.010 . 0 0 "[ . 1 . 2]" 1
755 1 90 VAL H 1 92 LEU H . . 5.200 4.167 3.775 4.666 . 0 0 "[ . 1 . 2]" 1
756 1 90 VAL HA 1 90 VAL MG1 . . 3.080 2.481 2.394 2.621 . 0 0 "[ . 1 . 2]" 1
757 1 90 VAL HA 1 90 VAL MG2 . . 2.850 2.403 2.286 2.555 . 0 0 "[ . 1 . 2]" 1
758 1 90 VAL HA 1 92 LEU H . . 4.790 4.080 3.660 4.881 0.091 17 0 "[ . 1 . 2]" 1
759 1 90 VAL HA 1 93 ARG H . . 4.560 3.657 3.251 4.209 . 0 0 "[ . 1 . 2]" 1
760 1 90 VAL HB 1 91 GLU H . . 2.990 2.485 2.277 2.719 . 0 0 "[ . 1 . 2]" 1
761 1 90 VAL MG1 1 91 GLU H . . 3.740 3.175 2.851 3.475 . 0 0 "[ . 1 . 2]" 1
762 1 90 VAL MG1 1 93 ARG H . . 5.440 4.508 4.085 4.960 . 0 0 "[ . 1 . 2]" 1
763 1 90 VAL MG1 1 94 ALA H . . 5.500 4.321 4.052 4.820 . 0 0 "[ . 1 . 2]" 1
764 1 90 VAL MG1 1 94 ALA MB . . 4.020 3.930 3.190 4.170 0.150 6 0 "[ . 1 . 2]" 1
765 1 90 VAL MG2 1 91 GLU H . . 3.970 3.922 3.808 4.023 0.053 4 0 "[ . 1 . 2]" 1
766 1 91 GLU H 1 92 LEU H . . 3.780 2.938 2.789 3.210 . 0 0 "[ . 1 . 2]" 1
767 1 91 GLU H 1 93 ARG H . . 4.910 4.276 4.062 4.530 . 0 0 "[ . 1 . 2]" 1
768 1 92 LEU H 1 92 LEU HB3 . . 3.610 3.620 3.367 3.814 0.204 16 0 "[ . 1 . 2]" 1
769 1 92 LEU H 1 92 LEU QD . . 3.940 3.285 1.951 3.673 . 0 0 "[ . 1 . 2]" 1
770 1 92 LEU H 1 92 LEU HG . . 3.630 3.114 2.584 3.736 0.106 14 0 "[ . 1 . 2]" 1
771 1 92 LEU H 1 93 ARG H . . 3.470 2.162 1.805 2.527 . 0 0 "[ . 1 . 2]" 1
772 1 92 LEU H 1 94 ALA H . . 4.960 4.325 3.131 4.990 0.030 19 0 "[ . 1 . 2]" 1
773 1 92 LEU HA 1 92 LEU QD . . 2.800 2.079 1.978 2.264 . 0 0 "[ . 1 . 2]" 1
774 1 92 LEU HA 1 95 THR H . . 3.710 3.476 3.034 3.768 0.058 12 0 "[ . 1 . 2]" 1
775 1 92 LEU HA 1 95 THR HB . . 2.750 2.282 2.017 2.604 . 0 0 "[ . 1 . 2]" 1
776 1 92 LEU HA 1 95 THR MG . . 3.880 3.619 3.283 3.947 0.067 14 0 "[ . 1 . 2]" 1
777 1 92 LEU HA 1 96 ALA H . . 4.240 3.353 2.991 3.900 . 0 0 "[ . 1 . 2]" 1
778 1 92 LEU HA 1 96 ALA MB . . 5.500 4.021 3.550 4.508 . 0 0 "[ . 1 . 2]" 1
779 1 92 LEU HB3 1 93 ARG H . . 4.880 4.079 3.674 4.502 . 0 0 "[ . 1 . 2]" 1
780 1 92 LEU HB3 1 93 ARG HD3 . . 4.920 5.153 4.263 6.615 1.695 1 6 "[+ *.** 1 . -* 2]" 1
781 1 92 LEU QD 1 93 ARG H . . 5.420 4.319 3.787 4.482 . 0 0 "[ . 1 . 2]" 1
782 1 92 LEU QD 1 95 THR H . . 5.330 4.730 4.249 5.035 . 0 0 "[ . 1 . 2]" 1
783 1 92 LEU QD 1 95 THR HB . . 3.270 3.127 2.503 3.356 0.086 5 0 "[ . 1 . 2]" 1
784 1 92 LEU QD 1 95 THR MG . . 3.680 3.200 2.826 3.746 0.066 5 0 "[ . 1 . 2]" 1
785 1 93 ARG H 1 94 ALA H . . 3.110 2.575 2.252 2.815 . 0 0 "[ . 1 . 2]" 1
786 1 93 ARG H 1 95 THR H . . 5.210 3.592 2.884 4.018 . 0 0 "[ . 1 . 2]" 1
787 1 93 ARG H 1 95 THR HB . . 4.630 4.613 4.036 4.715 0.085 3 0 "[ . 1 . 2]" 1
788 1 93 ARG HA 1 93 ARG HD3 . . 5.120 3.098 2.058 3.828 . 0 0 "[ . 1 . 2]" 1
789 1 93 ARG HA 1 96 ALA H . . 4.730 3.895 3.319 4.468 . 0 0 "[ . 1 . 2]" 1
790 1 94 ALA H 1 94 ALA MB . . 2.910 2.201 2.105 2.421 . 0 0 "[ . 1 . 2]" 1
791 1 94 ALA H 1 95 THR H . . 3.410 2.587 2.057 2.848 . 0 0 "[ . 1 . 2]" 1
792 1 94 ALA H 1 95 THR HA . . 5.440 5.220 4.813 5.479 0.039 19 0 "[ . 1 . 2]" 1
793 1 94 ALA H 1 96 ALA H . . 4.890 4.432 3.942 4.678 . 0 0 "[ . 1 . 2]" 1
794 1 94 ALA HA 1 97 ARG H . . 4.480 3.942 3.246 4.570 0.090 16 0 "[ . 1 . 2]" 1
795 1 94 ALA MB 1 95 THR H . . 3.370 2.690 2.414 3.274 . 0 0 "[ . 1 . 2]" 1
796 1 94 ALA MB 1 95 THR HA . . 5.120 3.929 3.693 4.179 . 0 0 "[ . 1 . 2]" 1
797 1 95 THR H 1 95 THR HB . . 3.450 2.540 2.243 2.825 . 0 0 "[ . 1 . 2]" 1
798 1 95 THR H 1 95 THR MG . . 3.910 3.746 3.638 3.848 . 0 0 "[ . 1 . 2]" 1
799 1 95 THR H 1 96 ALA H . . 3.800 2.774 2.109 3.020 . 0 0 "[ . 1 . 2]" 1
800 1 95 THR HA 1 95 THR MG . . 3.490 2.418 2.250 2.577 . 0 0 "[ . 1 . 2]" 1
801 1 95 THR HB 1 96 ALA H . . 3.290 2.474 2.239 2.721 . 0 0 "[ . 1 . 2]" 1
802 1 95 THR HB 1 99 GLN HB3 . . 4.960 6.244 4.506 6.552 1.592 13 18 "[*******-** *+******2]" 1
803 1 95 THR MG 1 96 ALA H . . 3.950 3.483 2.918 3.926 . 0 0 "[ . 1 . 2]" 1
804 1 95 THR MG 1 96 ALA HA . . 4.170 3.601 2.718 4.189 0.019 2 0 "[ . 1 . 2]" 1
805 1 95 THR MG 1 98 GLU H . . 5.500 4.671 4.053 5.021 . 0 0 "[ . 1 . 2]" 1
806 1 95 THR MG 1 99 GLN H . . 5.500 3.794 3.418 4.191 . 0 0 "[ . 1 . 2]" 1
807 1 95 THR MG 1 99 GLN HE21 . . 3.600 2.623 1.775 3.444 . 0 0 "[ . 1 . 2]" 1
808 1 95 THR MG 1 99 GLN HE22 . . 3.770 3.448 2.954 3.880 0.110 16 0 "[ . 1 . 2]" 1
809 1 95 THR MG 1 99 GLN HG3 . . 3.860 2.734 2.171 4.447 0.587 20 2 "[ . 1- . +]" 1
810 1 96 ALA H 1 96 ALA MB . . 3.160 2.221 2.121 2.309 . 0 0 "[ . 1 . 2]" 1
811 1 96 ALA H 1 97 ARG H . . 3.600 2.818 2.607 3.023 . 0 0 "[ . 1 . 2]" 1
812 1 96 ALA H 1 98 GLU H . . 4.930 4.655 4.295 4.980 0.050 16 0 "[ . 1 . 2]" 1
813 1 96 ALA HA 1 99 GLN H . . 4.110 3.368 2.923 3.608 . 0 0 "[ . 1 . 2]" 1
814 1 96 ALA HA 1 99 GLN HB3 . . 4.530 3.153 2.334 3.584 . 0 0 "[ . 1 . 2]" 1
815 1 96 ALA HA 1 99 GLN HG3 . . 4.680 3.895 3.347 4.387 . 0 0 "[ . 1 . 2]" 1
816 1 96 ALA MB 1 97 ARG H . . 3.540 2.886 2.627 3.476 . 0 0 "[ . 1 . 2]" 1
817 1 97 ARG H 1 98 GLU H . . 3.370 2.783 2.258 3.058 . 0 0 "[ . 1 . 2]" 1
818 1 97 ARG H 1 98 GLU HA . . 5.480 5.336 4.778 5.533 0.053 18 0 "[ . 1 . 2]" 1
819 1 97 ARG HA 1 100 ILE H . . 4.060 4.055 3.790 4.141 0.081 11 0 "[ . 1 . 2]" 1
820 1 98 GLU H 1 98 GLU HB3 . . 3.360 2.948 2.228 3.460 0.100 15 0 "[ . 1 . 2]" 1
821 1 98 GLU H 1 98 GLU HG3 . . 4.230 3.882 2.845 4.494 0.264 12 0 "[ . 1 . 2]" 1
822 1 98 GLU H 1 99 GLN H . . 3.290 2.604 2.029 2.821 . 0 0 "[ . 1 . 2]" 1
823 1 98 GLU HA 1 98 GLU HB3 . . 2.990 2.847 2.521 3.054 0.064 17 0 "[ . 1 . 2]" 1
824 1 98 GLU HA 1 98 GLU HG3 . . 3.560 3.045 2.138 3.821 0.261 9 0 "[ . 1 . 2]" 1
825 1 98 GLU HB3 1 99 GLN H . . 4.310 3.014 2.411 3.859 . 0 0 "[ . 1 . 2]" 1
826 1 98 GLU HG3 1 99 GLN H . . 4.860 4.646 3.436 5.456 0.596 11 2 "[ . 1+ . -]" 1
827 1 99 GLN H 1 99 GLN HB3 . . 3.850 3.300 2.199 3.517 . 0 0 "[ . 1 . 2]" 1
828 1 99 GLN H 1 99 GLN HE21 . . 5.390 5.109 4.143 5.455 0.065 7 0 "[ . 1 . 2]" 1
829 1 99 GLN H 1 99 GLN HG3 . . 3.490 3.082 2.439 3.935 0.445 20 0 "[ . 1 . 2]" 1
830 1 99 GLN HA 1 99 GLN HE21 . . 5.500 4.868 4.288 5.301 . 0 0 "[ . 1 . 2]" 1
831 1 99 GLN HA 1 99 GLN HG3 . . 3.700 2.912 2.660 3.509 . 0 0 "[ . 1 . 2]" 1
832 1 99 GLN HB3 1 100 ILE H . . 4.220 3.601 3.029 4.067 . 0 0 "[ . 1 . 2]" 1
833 1 99 GLN HG3 1 100 ILE H . . 5.270 5.000 3.129 5.355 0.085 10 0 "[ . 1 . 2]" 1
834 1 100 ILE H 1 100 ILE HB . . 2.950 2.387 2.182 2.584 . 0 0 "[ . 1 . 2]" 1
835 1 100 ILE H 1 100 ILE MD . . 3.960 3.355 3.003 3.684 . 0 0 "[ . 1 . 2]" 1
836 1 100 ILE H 1 100 ILE HG13 . . 3.990 3.780 3.405 4.059 0.069 10 0 "[ . 1 . 2]" 1
837 1 100 ILE H 1 100 ILE MG . . 3.860 3.781 3.684 3.871 0.011 10 0 "[ . 1 . 2]" 1
838 1 100 ILE HA 1 100 ILE MD . . 2.980 2.099 2.002 2.245 . 0 0 "[ . 1 . 2]" 1
839 1 100 ILE HA 1 100 ILE MG . . 3.330 2.603 2.403 2.733 . 0 0 "[ . 1 . 2]" 1
840 1 100 ILE HA 1 103 GLU H . . 3.750 3.692 3.390 3.822 0.072 6 0 "[ . 1 . 2]" 1
841 1 100 ILE HA 1 103 GLU HB3 . . 3.360 3.543 2.747 4.984 1.624 8 6 "[ *. *+ 1* - . *]" 1
842 1 100 ILE HA 1 103 GLU HG3 . . 5.010 4.468 2.314 6.256 1.246 6 4 "[*- *+ 1 . 2]" 1
843 1 100 ILE HB 1 101 ILE H . . 3.470 2.583 2.223 2.937 . 0 0 "[ . 1 . 2]" 1
844 1 100 ILE HB 1 102 SER H . . 4.670 4.732 4.486 4.761 0.091 7 0 "[ . 1 . 2]" 1
845 1 100 ILE MD 1 100 ILE MG . . 3.140 2.188 2.045 2.346 . 0 0 "[ . 1 . 2]" 1
846 1 100 ILE MD 1 101 ILE H . . 4.870 4.759 4.559 4.948 0.078 13 0 "[ . 1 . 2]" 1
847 1 100 ILE MD 1 103 GLU H . . 5.500 5.181 4.847 5.451 . 0 0 "[ . 1 . 2]" 1
848 1 100 ILE MG 1 101 ILE H . . 4.350 3.102 2.658 3.711 . 0 0 "[ . 1 . 2]" 1
849 1 100 ILE MG 1 101 ILE HA . . 4.260 3.256 2.959 3.522 . 0 0 "[ . 1 . 2]" 1
850 1 101 ILE H 1 101 ILE HB . . 2.980 2.380 2.254 2.611 . 0 0 "[ . 1 . 2]" 1
851 1 101 ILE H 1 101 ILE MD . . 4.210 3.396 1.851 4.173 . 0 0 "[ . 1 . 2]" 1
852 1 101 ILE H 1 101 ILE HG13 . . 3.570 3.330 2.149 3.650 0.080 19 0 "[ . 1 . 2]" 1
853 1 101 ILE H 1 101 ILE MG . . 3.690 3.724 3.687 3.781 0.091 11 0 "[ . 1 . 2]" 1
854 1 101 ILE H 1 102 SER H . . 3.200 2.463 2.059 2.661 . 0 0 "[ . 1 . 2]" 1
855 1 101 ILE H 1 103 GLU H . . 4.630 4.016 3.719 4.220 . 0 0 "[ . 1 . 2]" 1
856 1 101 ILE H 1 104 ILE H . . 5.030 5.019 4.549 5.118 0.088 9 0 "[ . 1 . 2]" 1
857 1 101 ILE HA 1 101 ILE MD . . 3.510 2.508 2.066 3.628 0.118 20 0 "[ . 1 . 2]" 1
858 1 101 ILE HA 1 101 ILE HG13 . . 3.610 3.580 2.517 3.831 0.221 14 0 "[ . 1 . 2]" 1
859 1 101 ILE HA 1 101 ILE MG . . 3.220 2.452 2.335 2.625 . 0 0 "[ . 1 . 2]" 1
860 1 101 ILE HA 1 104 ILE H . . 4.150 3.256 2.785 3.536 . 0 0 "[ . 1 . 2]" 1
861 1 101 ILE HA 1 104 ILE MD . . 3.170 2.268 1.968 3.005 . 0 0 "[ . 1 . 2]" 1
862 1 101 ILE HA 1 104 ILE HG13 . . 3.460 2.379 2.186 2.912 . 0 0 "[ . 1 . 2]" 1
863 1 101 ILE HB 1 102 SER H . . 3.340 2.868 2.713 3.170 . 0 0 "[ . 1 . 2]" 1
864 1 101 ILE HB 1 102 SER HA . . 4.550 4.518 4.354 4.609 0.059 20 0 "[ . 1 . 2]" 1
865 1 101 ILE MD 1 101 ILE MG . . 3.100 2.197 1.974 3.220 0.120 12 0 "[ . 1 . 2]" 1
866 1 101 ILE MD 1 102 SER H . . 5.050 4.784 3.788 5.129 0.079 20 0 "[ . 1 . 2]" 1
867 1 101 ILE MD 1 104 ILE MD . . 3.390 2.282 1.863 3.446 0.056 5 0 "[ . 1 . 2]" 1
868 1 101 ILE HG13 1 101 ILE MG . . 3.720 2.529 2.158 3.269 . 0 0 "[ . 1 . 2]" 1
869 1 101 ILE HG13 1 102 SER H . . 5.120 4.953 4.402 5.210 0.090 11 0 "[ . 1 . 2]" 1
870 1 101 ILE HG13 1 104 ILE MD . . 4.070 4.146 2.226 4.745 0.675 16 3 "[ . 1 -+ * 2]" 1
871 1 101 ILE MG 1 102 SER H . . 3.970 3.603 3.410 3.873 . 0 0 "[ . 1 . 2]" 1
872 1 101 ILE MG 1 102 SER HA . . 4.150 3.668 3.316 4.033 . 0 0 "[ . 1 . 2]" 1
873 1 101 ILE MG 1 102 SER HB3 . . 5.260 5.342 4.975 5.414 0.154 4 0 "[ . 1 . 2]" 1
874 1 101 ILE MG 1 103 GLU H . . 5.220 4.707 4.398 4.981 . 0 0 "[ . 1 . 2]" 1
875 1 101 ILE MG 1 104 ILE H . . 4.270 4.313 4.101 4.374 0.104 15 0 "[ . 1 . 2]" 1
876 1 102 SER H 1 102 SER HB3 . . 2.920 2.518 1.972 3.215 0.295 13 0 "[ . 1 . 2]" 1
877 1 102 SER H 1 103 GLU H . . 3.170 2.690 2.382 2.880 . 0 0 "[ . 1 . 2]" 1
878 1 102 SER H 1 104 ILE H . . 4.850 4.143 3.855 4.434 . 0 0 "[ . 1 . 2]" 1
879 1 102 SER HA 1 102 SER HB3 . . 2.900 3.001 2.776 3.042 0.142 3 0 "[ . 1 . 2]" 1
880 1 103 GLU H 1 103 GLU HB3 . . 3.080 2.703 2.094 3.721 0.641 13 6 "[ *. -* 1* + . *]" 1
881 1 103 GLU H 1 104 ILE H . . 3.060 2.220 1.921 2.662 . 0 0 "[ . 1 . 2]" 1
882 1 103 GLU H 1 104 ILE HB . . 5.200 4.602 3.952 5.145 . 0 0 "[ . 1 . 2]" 1
883 1 103 GLU H 1 104 ILE HG13 . . 5.080 3.583 3.236 4.316 . 0 0 "[ . 1 . 2]" 1
884 1 103 GLU HA 1 103 GLU HG3 . . 3.680 3.314 2.548 4.059 0.379 4 0 "[ . 1 . 2]" 1
885 1 103 GLU HG3 1 104 ILE H . . 3.940 4.335 2.716 5.186 1.246 13 9 "[*****-* 1 + . *]" 1
886 1 104 ILE H 1 104 ILE HB . . 3.050 2.601 2.270 2.916 . 0 0 "[ . 1 . 2]" 1
887 1 104 ILE H 1 104 ILE MD . . 4.030 3.680 3.469 3.883 . 0 0 "[ . 1 . 2]" 1
888 1 104 ILE H 1 104 ILE HG13 . . 3.370 2.209 1.985 2.609 . 0 0 "[ . 1 . 2]" 1
889 1 104 ILE HA 1 104 ILE HG13 . . 3.750 3.108 2.780 3.401 . 0 0 "[ . 1 . 2]" 1
890 1 104 ILE HB 1 104 ILE MD . . 3.250 2.445 2.241 2.609 . 0 0 "[ . 1 . 2]" 1
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