NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586426 |
2mxt   |
25428 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mxt
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 1404
_Distance_constraint_stats_list.Viol_count 2759
_Distance_constraint_stats_list.Viol_total 4491.108
_Distance_constraint_stats_list.Viol_max 0.963
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.0857
_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 1 GLY 0.379 0.090 12 0 "[ . 1 . ]"
1 2 SER 1.856 0.090 12 0 "[ . 1 . ]"
1 3 GLU 1.173 0.094 13 0 "[ . 1 . ]"
1 4 ASN 3.873 0.141 13 0 "[ . 1 . ]"
1 5 PHE 4.488 0.141 13 0 "[ . 1 . ]"
1 6 GLN 3.061 0.089 16 0 "[ . 1 . ]"
1 7 THR 1.100 0.109 6 0 "[ . 1 . ]"
1 8 LEU 4.148 0.105 5 0 "[ . 1 . ]"
1 9 LEU 1.057 0.071 11 0 "[ . 1 . ]"
1 10 ASP 4.701 0.091 16 0 "[ . 1 . ]"
1 11 ALA 4.018 0.123 19 0 "[ . 1 . ]"
1 12 GLY 3.256 0.091 13 0 "[ . 1 . ]"
1 13 LEU 6.610 0.163 17 0 "[ . 1 . ]"
1 14 PRO 3.503 0.163 17 0 "[ . 1 . ]"
1 15 GLN 10.713 0.587 9 5 "[ * *. +1 .- *]"
1 16 LYS 11.082 0.595 16 3 "[ * . *1 .+ ]"
1 17 VAL 5.173 0.133 11 0 "[ . 1 . ]"
1 18 ALA 4.521 0.111 8 0 "[ . 1 . ]"
1 19 GLU 10.903 0.595 16 4 "[ * -. 1 .+ *]"
1 20 LYS 3.545 0.444 5 0 "[ . 1 . ]"
1 21 LEU 6.011 0.117 4 0 "[ . 1 . ]"
1 22 ASP 5.912 0.747 13 3 "[ -. 1 + . *]"
1 23 GLU 24.155 0.963 13 13 "[ *-**** *1**+*. * *]"
1 24 ILE 18.063 0.963 13 8 "[ -*** 1 +*. * *]"
1 25 TYR 8.063 0.174 4 0 "[ . 1 . ]"
1 26 VAL 1.800 0.112 19 0 "[ . 1 . ]"
1 27 ALA 3.966 0.112 19 0 "[ . 1 . ]"
1 28 GLY 3.080 0.080 11 0 "[ . 1 . ]"
1 29 LEU 2.598 0.387 4 0 "[ . 1 . ]"
1 30 VAL 5.670 0.387 4 0 "[ . 1 . ]"
1 31 ALA 1.344 0.095 10 0 "[ . 1 . ]"
1 32 HIS 3.133 0.679 1 3 "[+ *. 1 . -]"
1 33 SER 3.039 0.679 1 1 "[+ . 1 . ]"
1 34 ASP 0.057 0.057 10 0 "[ . 1 . ]"
1 35 LEU 4.950 0.392 17 0 "[ . 1 . ]"
1 36 ASP 7.843 0.413 15 0 "[ . 1 . ]"
1 37 GLU 5.286 0.413 15 0 "[ . 1 . ]"
1 38 ARG 3.248 0.436 12 0 "[ . 1 . ]"
1 39 ALA 4.678 0.392 17 0 "[ . 1 . ]"
1 40 ILE 7.344 0.123 19 0 "[ . 1 . ]"
1 41 GLU 2.551 0.105 10 0 "[ . 1 . ]"
1 42 ALA 1.262 0.103 16 0 "[ . 1 . ]"
1 43 LEU 5.729 0.131 17 0 "[ . 1 . ]"
1 44 LYS 6.764 0.119 14 0 "[ . 1 . ]"
1 45 GLU 2.769 0.109 9 0 "[ . 1 . ]"
1 46 PHE 8.371 0.325 11 0 "[ . 1 . ]"
1 47 ASN 4.613 0.291 11 0 "[ . 1 . ]"
1 48 GLU 5.594 0.291 11 0 "[ . 1 . ]"
1 49 ASP 3.444 0.483 14 0 "[ . 1 . ]"
1 50 GLY 1.381 0.087 15 0 "[ . 1 . ]"
1 51 ALA 2.286 0.116 12 0 "[ . 1 . ]"
1 52 LEU 7.426 0.857 18 2 "[ . 1 -. + ]"
1 53 ALA 5.303 0.857 18 2 "[ . 1 -. + ]"
1 54 VAL 5.340 0.131 17 0 "[ . 1 . ]"
1 55 LEU 4.105 0.093 19 0 "[ . 1 . ]"
1 56 GLN 0.674 0.394 11 0 "[ . 1 . ]"
1 57 GLN 10.471 0.282 18 0 "[ . 1 . ]"
1 58 PHE 8.633 0.282 18 0 "[ . 1 . ]"
1 59 LYS 15.303 0.631 10 8 "[ * * - + * *.* *]"
1 60 ASP 2.253 0.249 12 0 "[ . 1 . ]"
1 61 SER 2.739 0.500 16 0 "[ . 1 . ]"
1 62 ASP 2.901 0.212 18 0 "[ . 1 . ]"
1 63 LEU 2.779 0.102 18 0 "[ . 1 . ]"
1 64 SER 1.067 0.183 15 0 "[ . 1 . ]"
1 65 HIS 0.946 0.085 9 0 "[ . 1 . ]"
1 66 VAL 2.305 0.122 8 0 "[ . 1 . ]"
1 67 GLN 0.122 0.122 8 0 "[ . 1 . ]"
1 68 ASN 1.739 0.658 14 1 "[ . 1 +. ]"
1 69 LYS 3.047 0.096 11 0 "[ . 1 . ]"
1 70 SER 5.132 0.116 16 0 "[ . 1 . ]"
1 71 ALA 4.026 0.658 14 1 "[ . 1 +. ]"
1 72 PHE 3.423 0.397 16 0 "[ . 1 . ]"
1 73 LEU 6.510 0.127 9 0 "[ . 1 . ]"
1 74 CYS 5.184 0.104 19 0 "[ . 1 . ]"
1 75 GLY 1.825 0.091 2 0 "[ . 1 . ]"
1 76 VAL 3.799 0.250 1 0 "[ . 1 . ]"
1 77 MET 6.737 0.127 9 0 "[ . 1 . ]"
1 78 LYS 3.116 0.123 11 0 "[ . 1 . ]"
1 79 THR 3.035 0.123 11 0 "[ . 1 . ]"
1 80 TYR 5.753 0.099 11 0 "[ . 1 . ]"
1 81 ARG 4.785 0.519 1 3 "[+ . 1 .* -]"
1 82 GLN 6.656 0.556 13 1 "[ . 1 + . ]"
1 83 ARG 3.148 0.096 5 0 "[ . 1 . ]"
1 84 GLU 3.891 0.402 10 0 "[ . 1 . ]"
1 85 LYS 10.261 0.653 2 10 "[*+ * **** *. ** ]"
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 1 GLY HA2 1 2 SER HB2 . . 5.500 4.446 3.833 5.590 0.090 12 0 "[ . 1 . ]" 1
2 1 1 GLY HA2 1 26 VAL MG2 . . 5.240 3.795 2.894 5.094 . 0 0 "[ . 1 . ]" 1
3 1 1 GLY HA3 1 5 PHE HB3 . . 4.740 4.203 3.014 4.820 0.080 19 0 "[ . 1 . ]" 1
4 1 1 GLY HA3 1 5 PHE QD . . 5.490 4.412 3.347 5.398 . 0 0 "[ . 1 . ]" 1
5 1 1 GLY HA3 1 26 VAL MG2 . . 5.340 4.591 3.881 5.343 0.003 8 0 "[ . 1 . ]" 1
6 1 2 SER H 1 26 VAL MG2 . . 5.500 3.291 2.833 3.917 . 0 0 "[ . 1 . ]" 1
7 1 2 SER HA 1 2 SER HB2 . . 2.900 2.834 2.473 2.984 0.084 19 0 "[ . 1 . ]" 1
8 1 2 SER HA 1 3 GLU H . . 3.180 2.664 2.465 2.925 . 0 0 "[ . 1 . ]" 1
9 1 2 SER HA 1 4 ASN H . . 4.510 4.439 4.114 4.584 0.074 5 0 "[ . 1 . ]" 1
10 1 2 SER HA 1 26 VAL MG2 . . 4.830 4.221 3.472 4.823 . 0 0 "[ . 1 . ]" 1
11 1 2 SER HB2 1 3 GLU H . . 3.690 3.388 2.226 3.766 0.076 9 0 "[ . 1 . ]" 1
12 1 2 SER HB2 1 4 ASN H . . 4.120 3.692 2.992 4.203 0.083 4 0 "[ . 1 . ]" 1
13 1 2 SER HB2 1 4 ASN HD21 . . 3.380 2.898 2.273 3.452 0.072 2 0 "[ . 1 . ]" 1
14 1 2 SER HB2 1 4 ASN HD22 . . 5.500 3.079 2.118 4.053 . 0 0 "[ . 1 . ]" 1
15 1 2 SER HB2 1 26 VAL MG2 . . 4.580 2.214 1.950 3.440 . 0 0 "[ . 1 . ]" 1
16 1 2 SER HB3 1 3 GLU H . . 3.940 2.423 1.923 3.384 . 0 0 "[ . 1 . ]" 1
17 1 2 SER HB3 1 4 ASN H . . 4.640 3.022 1.934 4.654 0.014 12 0 "[ . 1 . ]" 1
18 1 2 SER HB3 1 26 VAL MG2 . . 4.240 3.105 2.539 3.785 . 0 0 "[ . 1 . ]" 1
19 1 3 GLU H 1 3 GLU QB . . 3.340 2.445 2.073 2.751 . 0 0 "[ . 1 . ]" 1
20 1 3 GLU H 1 3 GLU QG . . 4.080 2.515 1.850 3.961 . 0 0 "[ . 1 . ]" 1
21 1 3 GLU H 1 4 ASN H . . 3.670 2.795 2.388 3.018 . 0 0 "[ . 1 . ]" 1
22 1 3 GLU H 1 4 ASN HD21 . . 5.500 4.365 3.884 4.830 . 0 0 "[ . 1 . ]" 1
23 1 3 GLU H 1 5 PHE H . . 5.500 4.582 4.368 4.793 . 0 0 "[ . 1 . ]" 1
24 1 3 GLU HA 1 3 GLU QB . . 2.800 2.174 2.086 2.394 . 0 0 "[ . 1 . ]" 1
25 1 3 GLU HA 1 3 GLU QG . . 3.690 3.381 2.945 3.548 . 0 0 "[ . 1 . ]" 1
26 1 3 GLU HA 1 5 PHE H . . 5.170 4.181 3.850 4.431 . 0 0 "[ . 1 . ]" 1
27 1 3 GLU HA 1 6 GLN H . . 4.930 4.079 3.594 4.591 . 0 0 "[ . 1 . ]" 1
28 1 3 GLU HA 1 6 GLN HB3 . . 5.240 4.529 3.709 5.302 0.062 9 0 "[ . 1 . ]" 1
29 1 3 GLU QB 1 4 ASN H . . 3.840 3.520 2.352 3.934 0.094 13 0 "[ . 1 . ]" 1
30 1 3 GLU QB 1 5 PHE H . . 5.190 5.084 4.643 5.256 0.066 13 0 "[ . 1 . ]" 1
31 1 3 GLU QG 1 4 ASN H . . 4.420 2.610 2.069 3.630 . 0 0 "[ . 1 . ]" 1
32 1 3 GLU QG 1 4 ASN HA . . 5.070 3.525 2.937 4.243 . 0 0 "[ . 1 . ]" 1
33 1 3 GLU QG 1 4 ASN HD21 . . 5.500 4.376 3.753 5.584 0.084 3 0 "[ . 1 . ]" 1
34 1 3 GLU QG 1 4 ASN HD22 . . 5.500 4.359 3.283 5.584 0.084 6 0 "[ . 1 . ]" 1
35 1 4 ASN H 1 4 ASN HB2 . . 3.620 3.158 2.919 3.671 0.051 17 0 "[ . 1 . ]" 1
36 1 4 ASN H 1 4 ASN QB . . 3.220 2.732 2.241 3.057 . 0 0 "[ . 1 . ]" 1
37 1 4 ASN H 1 4 ASN HB3 . . 3.550 3.295 2.267 3.678 0.128 14 0 "[ . 1 . ]" 1
38 1 4 ASN H 1 4 ASN HD22 . . 5.500 3.235 2.944 3.967 . 0 0 "[ . 1 . ]" 1
39 1 4 ASN H 1 5 PHE H . . 3.260 2.657 2.068 2.996 . 0 0 "[ . 1 . ]" 1
40 1 4 ASN HA 1 6 GLN H . . 5.500 4.538 3.878 4.967 . 0 0 "[ . 1 . ]" 1
41 1 4 ASN HA 1 7 THR H . . 4.030 3.560 3.137 3.865 . 0 0 "[ . 1 . ]" 1
42 1 4 ASN HA 1 7 THR MG . . 4.900 4.067 1.997 4.793 . 0 0 "[ . 1 . ]" 1
43 1 4 ASN HA 1 8 LEU H . . 5.500 4.265 3.989 5.099 . 0 0 "[ . 1 . ]" 1
44 1 4 ASN QB 1 5 PHE H . . 3.790 2.990 2.639 3.665 . 0 0 "[ . 1 . ]" 1
45 1 4 ASN HB2 1 4 ASN HD21 . . 3.650 2.584 2.197 3.513 . 0 0 "[ . 1 . ]" 1
46 1 4 ASN HB2 1 5 PHE H . . 4.180 3.152 2.682 4.158 . 0 0 "[ . 1 . ]" 1
47 1 4 ASN HB2 1 8 LEU QD . . 5.140 2.872 2.424 3.847 . 0 0 "[ . 1 . ]" 1
48 1 4 ASN HB2 1 25 TYR QD . . 3.660 3.092 2.360 3.749 0.089 7 0 "[ . 1 . ]" 1
49 1 4 ASN HB3 1 4 ASN HD21 . . 3.630 3.188 2.263 3.552 . 0 0 "[ . 1 . ]" 1
50 1 4 ASN HB3 1 5 PHE H . . 4.110 4.045 3.926 4.251 0.141 13 0 "[ . 1 . ]" 1
51 1 4 ASN HB3 1 25 TYR QD . . 4.800 3.285 2.531 4.367 . 0 0 "[ . 1 . ]" 1
52 1 4 ASN HB3 1 32 HIS HB3 . . 5.080 3.505 2.246 5.137 0.057 3 0 "[ . 1 . ]" 1
53 1 4 ASN HD21 1 5 PHE H . . 4.150 3.472 3.018 4.077 . 0 0 "[ . 1 . ]" 1
54 1 4 ASN HD21 1 8 LEU QD . . 5.430 4.512 4.162 4.936 . 0 0 "[ . 1 . ]" 1
55 1 4 ASN HD21 1 25 TYR H . . 4.800 4.703 4.423 4.877 0.077 9 0 "[ . 1 . ]" 1
56 1 4 ASN HD21 1 25 TYR HB3 . . 5.430 4.160 3.340 4.721 . 0 0 "[ . 1 . ]" 1
57 1 4 ASN HD21 1 25 TYR QD . . 4.700 3.924 3.307 4.240 . 0 0 "[ . 1 . ]" 1
58 1 4 ASN HD22 1 5 PHE H . . 4.820 4.478 3.214 4.890 0.070 2 0 "[ . 1 . ]" 1
59 1 4 ASN HD22 1 25 TYR H . . 5.150 4.616 3.662 5.196 0.046 13 0 "[ . 1 . ]" 1
60 1 5 PHE H 1 5 PHE HB2 . . 3.240 2.373 2.276 2.519 . 0 0 "[ . 1 . ]" 1
61 1 5 PHE H 1 5 PHE HB3 . . 3.270 2.565 2.464 2.681 . 0 0 "[ . 1 . ]" 1
62 1 5 PHE H 1 5 PHE QD . . 5.360 4.160 4.114 4.242 . 0 0 "[ . 1 . ]" 1
63 1 5 PHE H 1 6 GLN H . . 3.640 3.073 2.750 3.286 . 0 0 "[ . 1 . ]" 1
64 1 5 PHE H 1 8 LEU QD . . 5.500 3.783 3.438 4.146 . 0 0 "[ . 1 . ]" 1
65 1 5 PHE HA 1 5 PHE QD . . 4.040 2.483 2.242 2.926 . 0 0 "[ . 1 . ]" 1
66 1 5 PHE HA 1 8 LEU HB2 . . 3.990 2.952 2.587 3.884 . 0 0 "[ . 1 . ]" 1
67 1 5 PHE HA 1 8 LEU QD . . 3.640 2.471 2.162 3.286 . 0 0 "[ . 1 . ]" 1
68 1 5 PHE HA 1 9 LEU QD . . 5.410 3.970 3.432 4.822 . 0 0 "[ . 1 . ]" 1
69 1 5 PHE HA 1 18 ALA MB . . 3.920 3.271 2.778 3.692 . 0 0 "[ . 1 . ]" 1
70 1 5 PHE HB2 1 6 GLN H . . 3.720 3.783 3.762 3.801 0.081 16 0 "[ . 1 . ]" 1
71 1 5 PHE HB2 1 18 ALA MB . . 5.370 4.767 4.235 5.241 . 0 0 "[ . 1 . ]" 1
72 1 5 PHE HB3 1 6 GLN H . . 4.090 2.408 2.311 2.504 . 0 0 "[ . 1 . ]" 1
73 1 5 PHE HB3 1 6 GLN HA . . 4.730 4.314 4.187 4.497 . 0 0 "[ . 1 . ]" 1
74 1 5 PHE QD 1 6 GLN H . . 5.050 3.485 3.046 3.883 . 0 0 "[ . 1 . ]" 1
75 1 5 PHE QD 1 6 GLN HB2 . . 4.780 3.809 3.397 4.627 . 0 0 "[ . 1 . ]" 1
76 1 5 PHE QD 1 8 LEU H . . 5.500 5.474 5.180 5.580 0.080 15 0 "[ . 1 . ]" 1
77 1 5 PHE QD 1 9 LEU QD . . 3.250 3.057 2.614 3.232 . 0 0 "[ . 1 . ]" 1
78 1 5 PHE QD 1 18 ALA HA . . 5.260 4.193 3.890 4.714 . 0 0 "[ . 1 . ]" 1
79 1 5 PHE QD 1 18 ALA MB . . 3.410 2.676 2.190 3.299 . 0 0 "[ . 1 . ]" 1
80 1 5 PHE QD 1 19 GLU H . . 4.350 4.131 3.722 4.443 0.093 9 0 "[ . 1 . ]" 1
81 1 5 PHE QD 1 19 GLU HA . . 3.200 3.004 2.561 3.286 0.086 15 0 "[ . 1 . ]" 1
82 1 5 PHE QD 1 22 ASP H . . 4.970 3.870 3.587 4.480 . 0 0 "[ . 1 . ]" 1
83 1 5 PHE QD 1 22 ASP HB2 . . 4.200 2.633 2.178 3.064 . 0 0 "[ . 1 . ]" 1
84 1 5 PHE QD 1 22 ASP HB3 . . 3.570 3.221 2.659 3.639 0.069 6 0 "[ . 1 . ]" 1
85 1 5 PHE QE 1 9 LEU QD . . 4.100 2.634 2.324 2.877 . 0 0 "[ . 1 . ]" 1
86 1 5 PHE QE 1 9 LEU HG . . 5.500 4.032 3.443 4.872 . 0 0 "[ . 1 . ]" 1
87 1 5 PHE QE 1 18 ALA MB . . 3.540 2.513 2.202 3.527 . 0 0 "[ . 1 . ]" 1
88 1 5 PHE QE 1 19 GLU H . . 4.160 2.762 2.597 3.251 . 0 0 "[ . 1 . ]" 1
89 1 5 PHE QE 1 19 GLU HA . . 3.270 2.533 1.937 3.036 . 0 0 "[ . 1 . ]" 1
90 1 5 PHE QE 1 19 GLU HG2 . . 4.010 2.338 2.080 2.687 . 0 0 "[ . 1 . ]" 1
91 1 5 PHE QE 1 19 GLU HG3 . . 4.200 3.191 2.623 3.746 . 0 0 "[ . 1 . ]" 1
92 1 5 PHE HZ 1 9 LEU QD . . 3.450 2.799 2.498 3.406 . 0 0 "[ . 1 . ]" 1
93 1 5 PHE HZ 1 15 GLN HA . . 4.690 4.293 3.766 4.756 0.066 15 0 "[ . 1 . ]" 1
94 1 5 PHE HZ 1 15 GLN HE21 . . 4.820 2.784 1.877 4.590 . 0 0 "[ . 1 . ]" 1
95 1 5 PHE HZ 1 15 GLN HE22 . . 4.960 3.895 3.052 4.996 0.036 9 0 "[ . 1 . ]" 1
96 1 5 PHE HZ 1 15 GLN HG2 . . 4.540 4.025 3.640 4.597 0.057 8 0 "[ . 1 . ]" 1
97 1 5 PHE HZ 1 15 GLN HG3 . . 3.930 2.650 2.210 3.246 . 0 0 "[ . 1 . ]" 1
98 1 5 PHE HZ 1 18 ALA MB . . 4.190 3.983 3.592 4.277 0.087 18 0 "[ . 1 . ]" 1
99 1 5 PHE HZ 1 19 GLU HG2 . . 3.800 2.952 2.503 3.412 . 0 0 "[ . 1 . ]" 1
100 1 5 PHE HZ 1 19 GLU HG3 . . 4.080 3.759 3.308 4.137 0.057 13 0 "[ . 1 . ]" 1
101 1 6 GLN H 1 6 GLN HB2 . . 3.280 2.541 2.346 2.645 . 0 0 "[ . 1 . ]" 1
102 1 6 GLN H 1 6 GLN HB3 . . 3.300 2.541 2.434 2.701 . 0 0 "[ . 1 . ]" 1
103 1 6 GLN H 1 6 GLN QG . . 4.100 4.073 4.019 4.138 0.038 8 0 "[ . 1 . ]" 1
104 1 6 GLN H 1 7 THR H . . 3.530 2.783 2.657 2.911 . 0 0 "[ . 1 . ]" 1
105 1 6 GLN H 1 9 LEU QD . . 5.500 4.142 3.795 4.602 . 0 0 "[ . 1 . ]" 1
106 1 6 GLN HA 1 6 GLN HE21 . . 4.760 2.643 2.395 3.098 . 0 0 "[ . 1 . ]" 1
107 1 6 GLN HA 1 6 GLN HE22 . . 5.030 3.369 3.216 3.599 . 0 0 "[ . 1 . ]" 1
108 1 6 GLN HA 1 6 GLN QG . . 3.690 3.010 2.934 3.088 . 0 0 "[ . 1 . ]" 1
109 1 6 GLN HA 1 8 LEU H . . 5.380 4.360 4.130 4.615 . 0 0 "[ . 1 . ]" 1
110 1 6 GLN HA 1 9 LEU H . . 3.910 3.355 3.111 3.696 . 0 0 "[ . 1 . ]" 1
111 1 6 GLN HA 1 9 LEU HB2 . . 3.660 2.566 2.248 2.818 . 0 0 "[ . 1 . ]" 1
112 1 6 GLN HA 1 9 LEU HB3 . . 4.240 4.142 3.857 4.311 0.071 11 0 "[ . 1 . ]" 1
113 1 6 GLN HA 1 9 LEU QD . . 3.880 2.476 2.049 2.926 . 0 0 "[ . 1 . ]" 1
114 1 6 GLN HA 1 9 LEU HG . . 4.190 3.960 3.472 4.244 0.054 11 0 "[ . 1 . ]" 1
115 1 6 GLN HA 1 10 ASP H . . 4.820 4.617 4.364 4.848 0.028 11 0 "[ . 1 . ]" 1
116 1 6 GLN HB3 1 7 THR H . . 3.700 2.790 2.421 3.051 . 0 0 "[ . 1 . ]" 1
117 1 6 GLN HE21 1 6 GLN QG . . 3.200 2.302 2.226 2.374 . 0 0 "[ . 1 . ]" 1
118 1 6 GLN HE21 1 9 LEU H . . 5.500 4.154 3.882 4.546 . 0 0 "[ . 1 . ]" 1
119 1 6 GLN HE21 1 9 LEU HB2 . . 4.630 2.569 2.209 3.047 . 0 0 "[ . 1 . ]" 1
120 1 6 GLN HE21 1 9 LEU HB3 . . 5.140 3.375 2.865 3.843 . 0 0 "[ . 1 . ]" 1
121 1 6 GLN HE21 1 9 LEU QD . . 5.050 3.666 3.020 4.185 . 0 0 "[ . 1 . ]" 1
122 1 6 GLN HE21 1 10 ASP H . . 4.980 3.774 3.364 4.105 . 0 0 "[ . 1 . ]" 1
123 1 6 GLN HE22 1 9 LEU HB2 . . 4.610 3.063 2.654 3.717 . 0 0 "[ . 1 . ]" 1
124 1 6 GLN HE22 1 9 LEU HB3 . . 4.800 3.220 2.530 4.029 . 0 0 "[ . 1 . ]" 1
125 1 6 GLN HE22 1 9 LEU QD . . 4.590 3.406 2.457 4.272 . 0 0 "[ . 1 . ]" 1
126 1 6 GLN HE22 1 10 ASP H . . 5.500 5.081 4.524 5.573 0.073 5 0 "[ . 1 . ]" 1
127 1 6 GLN QG 1 9 LEU QD . . 4.930 4.560 4.081 4.880 . 0 0 "[ . 1 . ]" 1
128 1 6 GLN QG 1 10 ASP H . . 4.840 4.869 4.541 4.929 0.089 16 0 "[ . 1 . ]" 1
129 1 7 THR H 1 7 THR HB . . 3.900 2.598 2.265 2.819 . 0 0 "[ . 1 . ]" 1
130 1 7 THR H 1 7 THR MG . . 3.930 3.516 1.901 3.772 . 0 0 "[ . 1 . ]" 1
131 1 7 THR HA 1 10 ASP H . . 4.450 3.393 3.129 3.706 . 0 0 "[ . 1 . ]" 1
132 1 7 THR HA 1 10 ASP HB2 . . 3.580 3.434 2.859 3.651 0.071 17 0 "[ . 1 . ]" 1
133 1 7 THR HA 1 10 ASP HB3 . . 3.610 2.999 2.359 3.665 0.055 12 0 "[ . 1 . ]" 1
134 1 7 THR MG 1 10 ASP HB2 . . 5.500 4.870 4.158 5.583 0.083 19 0 "[ . 1 . ]" 1
135 1 7 THR MG 1 10 ASP HB3 . . 5.500 3.934 2.982 5.505 0.005 19 0 "[ . 1 . ]" 1
136 1 7 THR MG 1 11 ALA H . . 5.230 4.674 3.694 5.298 0.068 19 0 "[ . 1 . ]" 1
137 1 7 THR MG 1 11 ALA MB . . 4.320 3.524 2.711 4.429 0.109 6 0 "[ . 1 . ]" 1
138 1 8 LEU H 1 8 LEU HB2 . . 3.420 2.348 2.114 2.594 . 0 0 "[ . 1 . ]" 1
139 1 8 LEU H 1 8 LEU HB3 . . 3.800 3.557 3.427 3.693 . 0 0 "[ . 1 . ]" 1
140 1 8 LEU H 1 8 LEU QD . . 3.870 2.605 2.136 3.218 . 0 0 "[ . 1 . ]" 1
141 1 8 LEU HA 1 8 LEU QD . . 3.030 2.174 2.075 2.408 . 0 0 "[ . 1 . ]" 1
142 1 8 LEU HA 1 8 LEU HG . . 4.080 3.030 2.583 3.659 . 0 0 "[ . 1 . ]" 1
143 1 8 LEU HA 1 10 ASP H . . 3.910 3.859 3.759 3.981 0.071 1 0 "[ . 1 . ]" 1
144 1 8 LEU HA 1 11 ALA H . . 3.950 3.166 2.887 3.435 . 0 0 "[ . 1 . ]" 1
145 1 8 LEU HA 1 11 ALA MB . . 3.420 2.287 2.071 2.755 . 0 0 "[ . 1 . ]" 1
146 1 8 LEU HB2 1 9 LEU H . . 3.750 2.686 2.446 2.886 . 0 0 "[ . 1 . ]" 1
147 1 8 LEU HB2 1 10 ASP H . . 5.300 4.852 4.699 4.979 . 0 0 "[ . 1 . ]" 1
148 1 8 LEU HB2 1 13 LEU MD1 . . 3.770 3.820 3.596 3.875 0.105 5 0 "[ . 1 . ]" 1
149 1 8 LEU HB2 1 18 ALA HA . . 4.330 3.799 3.077 4.378 0.048 2 0 "[ . 1 . ]" 1
150 1 8 LEU HB2 1 18 ALA MB . . 3.690 2.677 2.216 3.516 . 0 0 "[ . 1 . ]" 1
151 1 8 LEU HB3 1 9 LEU H . . 3.740 3.421 3.249 3.630 . 0 0 "[ . 1 . ]" 1
152 1 8 LEU HB3 1 10 ASP H . . 4.990 5.066 5.037 5.081 0.091 16 0 "[ . 1 . ]" 1
153 1 8 LEU HB3 1 11 ALA MB . . 4.360 3.991 3.642 4.415 0.055 6 0 "[ . 1 . ]" 1
154 1 8 LEU HB3 1 13 LEU MD1 . . 3.320 2.345 2.080 2.560 . 0 0 "[ . 1 . ]" 1
155 1 8 LEU QD 1 18 ALA HA . . 3.690 2.692 2.246 3.718 0.028 2 0 "[ . 1 . ]" 1
156 1 8 LEU QD 1 21 LEU H . . 5.110 4.103 3.757 4.899 . 0 0 "[ . 1 . ]" 1
157 1 8 LEU QD 1 21 LEU HB3 . . 3.980 2.292 2.012 2.930 . 0 0 "[ . 1 . ]" 1
158 1 8 LEU QD 1 21 LEU QD . . 3.860 2.197 1.755 2.709 . 0 0 "[ . 1 . ]" 1
159 1 8 LEU QD 1 22 ASP H . . 4.110 3.038 2.548 3.718 . 0 0 "[ . 1 . ]" 1
160 1 8 LEU QD 1 22 ASP HA . . 4.400 2.583 2.181 3.323 . 0 0 "[ . 1 . ]" 1
161 1 8 LEU QD 1 22 ASP HB2 . . 3.920 2.814 2.336 3.548 . 0 0 "[ . 1 . ]" 1
162 1 8 LEU QD 1 22 ASP HB3 . . 4.510 3.956 3.531 4.547 0.037 18 0 "[ . 1 . ]" 1
163 1 8 LEU QD 1 25 TYR QD . . 2.910 2.715 2.392 2.976 0.066 5 0 "[ . 1 . ]" 1
164 1 8 LEU QD 1 25 TYR QE . . 4.260 2.166 1.841 2.779 . 0 0 "[ . 1 . ]" 1
165 1 8 LEU HG 1 25 TYR QE . . 4.070 3.799 3.004 4.161 0.091 7 0 "[ . 1 . ]" 1
166 1 9 LEU H 1 9 LEU HB2 . . 3.420 2.283 2.204 2.349 . 0 0 "[ . 1 . ]" 1
167 1 9 LEU H 1 9 LEU HB3 . . 3.740 3.544 3.500 3.592 . 0 0 "[ . 1 . ]" 1
168 1 9 LEU H 1 9 LEU QD . . 4.110 2.818 2.184 3.311 . 0 0 "[ . 1 . ]" 1
169 1 9 LEU H 1 10 ASP H . . 3.560 2.675 2.573 2.783 . 0 0 "[ . 1 . ]" 1
170 1 9 LEU H 1 18 ALA MB . . 4.270 3.475 3.166 3.884 . 0 0 "[ . 1 . ]" 1
171 1 9 LEU HA 1 9 LEU QD . . 3.070 2.131 2.017 2.288 . 0 0 "[ . 1 . ]" 1
172 1 9 LEU HB2 1 10 ASP H . . 3.580 3.147 2.711 3.363 . 0 0 "[ . 1 . ]" 1
173 1 9 LEU HB3 1 10 ASP H . . 3.880 3.735 3.463 3.940 0.060 15 0 "[ . 1 . ]" 1
174 1 9 LEU QD 1 10 ASP H . . 5.110 4.206 4.009 4.436 . 0 0 "[ . 1 . ]" 1
175 1 9 LEU QD 1 14 PRO HA . . 5.500 3.736 3.045 4.695 . 0 0 "[ . 1 . ]" 1
176 1 9 LEU QD 1 15 GLN H . . 4.710 3.432 3.004 4.148 . 0 0 "[ . 1 . ]" 1
177 1 9 LEU QD 1 15 GLN HA . . 3.150 2.041 1.940 2.229 . 0 0 "[ . 1 . ]" 1
178 1 9 LEU QD 1 15 GLN HB2 . . 4.720 2.536 2.172 3.322 . 0 0 "[ . 1 . ]" 1
179 1 9 LEU QD 1 15 GLN HB3 . . 5.500 3.783 3.511 4.294 . 0 0 "[ . 1 . ]" 1
180 1 9 LEU QD 1 15 GLN HE21 . . 5.500 3.254 1.797 5.088 . 0 0 "[ . 1 . ]" 1
181 1 9 LEU QD 1 15 GLN HE22 . . 5.500 4.105 2.340 5.186 . 0 0 "[ . 1 . ]" 1
182 1 9 LEU QD 1 15 GLN HG2 . . 4.690 4.106 3.938 4.567 . 0 0 "[ . 1 . ]" 1
183 1 9 LEU QD 1 15 GLN HG3 . . 4.810 2.959 2.735 3.517 . 0 0 "[ . 1 . ]" 1
184 1 9 LEU QD 1 18 ALA H . . 5.080 3.992 3.701 4.656 . 0 0 "[ . 1 . ]" 1
185 1 9 LEU QD 1 18 ALA MB . . 3.550 2.217 1.851 2.967 . 0 0 "[ . 1 . ]" 1
186 1 9 LEU QD 1 19 GLU HG3 . . 5.500 4.714 4.266 5.523 0.023 9 0 "[ . 1 . ]" 1
187 1 9 LEU HG 1 10 ASP H . . 5.500 5.135 4.638 5.564 0.064 3 0 "[ . 1 . ]" 1
188 1 10 ASP H 1 10 ASP HB2 . . 3.380 2.622 2.411 2.851 . 0 0 "[ . 1 . ]" 1
189 1 10 ASP H 1 10 ASP HB3 . . 3.230 2.677 2.382 3.014 . 0 0 "[ . 1 . ]" 1
190 1 10 ASP H 1 11 ALA H . . 3.100 2.289 2.085 2.461 . 0 0 "[ . 1 . ]" 1
191 1 10 ASP HA 1 10 ASP HB2 . . 3.020 2.564 2.445 2.735 . 0 0 "[ . 1 . ]" 1
192 1 10 ASP HA 1 12 GLY H . . 4.120 3.527 3.143 3.953 . 0 0 "[ . 1 . ]" 1
193 1 10 ASP HB2 1 11 ALA H . . 4.190 4.082 3.773 4.253 0.063 9 0 "[ . 1 . ]" 1
194 1 10 ASP HB2 1 11 ALA MB . . 5.320 5.253 5.038 5.399 0.079 14 0 "[ . 1 . ]" 1
195 1 10 ASP HB3 1 11 ALA H . . 3.800 3.231 2.533 3.758 . 0 0 "[ . 1 . ]" 1
196 1 10 ASP HB3 1 11 ALA MB . . 5.500 4.106 3.654 4.504 . 0 0 "[ . 1 . ]" 1
197 1 11 ALA H 1 11 ALA MB . . 2.960 2.217 2.142 2.284 . 0 0 "[ . 1 . ]" 1
198 1 11 ALA H 1 12 GLY H . . 3.380 2.850 2.602 3.031 . 0 0 "[ . 1 . ]" 1
199 1 11 ALA H 1 12 GLY HA2 . . 5.030 5.102 5.028 5.119 0.089 18 0 "[ . 1 . ]" 1
200 1 11 ALA H 1 13 LEU H . . 4.190 3.506 3.057 4.147 . 0 0 "[ . 1 . ]" 1
201 1 11 ALA H 1 13 LEU MD1 . . 5.200 4.216 3.805 5.132 . 0 0 "[ . 1 . ]" 1
202 1 11 ALA MB 1 12 GLY H . . 3.860 3.446 2.984 3.707 . 0 0 "[ . 1 . ]" 1
203 1 11 ALA MB 1 12 GLY HA2 . . 5.500 4.924 4.630 5.071 . 0 0 "[ . 1 . ]" 1
204 1 11 ALA MB 1 12 GLY HA3 . . 5.500 4.383 4.137 4.637 . 0 0 "[ . 1 . ]" 1
205 1 11 ALA MB 1 13 LEU H . . 3.320 3.368 3.204 3.427 0.107 10 0 "[ . 1 . ]" 1
206 1 11 ALA MB 1 13 LEU MD1 . . 3.390 2.542 2.086 3.306 . 0 0 "[ . 1 . ]" 1
207 1 11 ALA MB 1 40 ILE MD . . 4.800 4.043 3.134 4.923 0.123 19 0 "[ . 1 . ]" 1
208 1 12 GLY H 1 13 LEU H . . 3.280 2.460 2.006 2.864 . 0 0 "[ . 1 . ]" 1
209 1 12 GLY H 1 13 LEU MD1 . . 5.500 5.049 4.290 5.569 0.069 1 0 "[ . 1 . ]" 1
210 1 12 GLY H 1 13 LEU HG . . 5.370 4.147 3.289 4.716 . 0 0 "[ . 1 . ]" 1
211 1 12 GLY HA2 1 44 LYS HD3 . . 5.190 5.271 5.253 5.281 0.091 13 0 "[ . 1 . ]" 1
212 1 12 GLY HA2 1 44 LYS QE . . 4.840 3.848 3.152 4.922 0.082 18 0 "[ . 1 . ]" 1
213 1 12 GLY HA3 1 44 LYS HD3 . . 4.580 3.723 3.575 4.013 . 0 0 "[ . 1 . ]" 1
214 1 12 GLY HA3 1 44 LYS QE . . 3.970 2.442 1.874 3.503 . 0 0 "[ . 1 . ]" 1
215 1 13 LEU H 1 13 LEU HB2 . . 3.390 2.507 2.440 2.615 . 0 0 "[ . 1 . ]" 1
216 1 13 LEU H 1 13 LEU HB3 . . 3.640 3.641 3.596 3.703 0.063 9 0 "[ . 1 . ]" 1
217 1 13 LEU H 1 13 LEU MD1 . . 4.040 3.632 3.492 3.859 . 0 0 "[ . 1 . ]" 1
218 1 13 LEU H 1 13 LEU MD2 . . 4.440 3.637 3.373 3.865 . 0 0 "[ . 1 . ]" 1
219 1 13 LEU H 1 13 LEU HG . . 3.620 2.508 2.177 2.752 . 0 0 "[ . 1 . ]" 1
220 1 13 LEU H 1 14 PRO HD2 . . 5.360 4.895 4.745 4.991 . 0 0 "[ . 1 . ]" 1
221 1 13 LEU HA 1 13 LEU MD1 . . 4.610 3.937 3.833 3.997 . 0 0 "[ . 1 . ]" 1
222 1 13 LEU HA 1 13 LEU MD2 . . 3.110 2.195 2.086 2.361 . 0 0 "[ . 1 . ]" 1
223 1 13 LEU HA 1 13 LEU HG . . 4.170 3.114 2.959 3.193 . 0 0 "[ . 1 . ]" 1
224 1 13 LEU HA 1 14 PRO HD2 . . 3.200 2.336 2.172 2.544 . 0 0 "[ . 1 . ]" 1
225 1 13 LEU HA 1 14 PRO HD3 . . 2.870 2.443 2.311 2.584 . 0 0 "[ . 1 . ]" 1
226 1 13 LEU HA 1 14 PRO HG2 . . 4.490 4.498 4.352 4.653 0.163 17 0 "[ . 1 . ]" 1
227 1 13 LEU HA 1 17 VAL MG1 . . 5.500 4.772 4.101 5.583 0.083 8 0 "[ . 1 . ]" 1
228 1 13 LEU HA 1 17 VAL MG2 . . 5.340 5.023 4.665 5.418 0.078 18 0 "[ . 1 . ]" 1
229 1 13 LEU HA 1 44 LYS HD2 . . 4.480 3.974 3.418 4.540 0.060 9 0 "[ . 1 . ]" 1
230 1 13 LEU HB2 1 13 LEU MD1 . . 3.400 2.291 2.190 2.399 . 0 0 "[ . 1 . ]" 1
231 1 13 LEU HB2 1 14 PRO HD2 . . 4.340 3.798 3.539 4.015 . 0 0 "[ . 1 . ]" 1
232 1 13 LEU HB2 1 18 ALA H . . 4.650 4.474 3.888 4.722 0.072 8 0 "[ . 1 . ]" 1
233 1 13 LEU HB3 1 13 LEU MD2 . . 3.250 2.310 2.186 2.466 . 0 0 "[ . 1 . ]" 1
234 1 13 LEU HB3 1 14 PRO HD2 . . 4.120 2.319 1.999 2.609 . 0 0 "[ . 1 . ]" 1
235 1 13 LEU HB3 1 14 PRO HD3 . . 4.060 3.734 3.464 4.025 . 0 0 "[ . 1 . ]" 1
236 1 13 LEU HB3 1 18 ALA H . . 4.430 3.926 3.191 4.265 . 0 0 "[ . 1 . ]" 1
237 1 13 LEU MD1 1 18 ALA H . . 4.980 4.550 3.819 4.984 0.004 6 0 "[ . 1 . ]" 1
238 1 13 LEU MD1 1 18 ALA HA . . 4.220 3.901 2.869 4.307 0.087 19 0 "[ . 1 . ]" 1
239 1 13 LEU MD2 1 14 PRO HD2 . . 4.010 2.891 2.608 3.163 . 0 0 "[ . 1 . ]" 1
240 1 13 LEU MD2 1 14 PRO HD3 . . 3.880 3.691 3.317 3.911 0.031 4 0 "[ . 1 . ]" 1
241 1 13 LEU MD2 1 18 ALA H . . 5.300 5.305 4.771 5.411 0.111 8 0 "[ . 1 . ]" 1
242 1 13 LEU MD2 1 44 LYS H . . 4.150 3.904 3.501 4.269 0.119 14 0 "[ . 1 . ]" 1
243 1 13 LEU MD2 1 44 LYS HA . . 3.920 3.486 2.849 4.001 0.081 14 0 "[ . 1 . ]" 1
244 1 13 LEU MD2 1 44 LYS HD2 . . 4.200 3.132 2.509 3.760 . 0 0 "[ . 1 . ]" 1
245 1 13 LEU MD2 1 44 LYS QE . . 5.500 4.158 3.342 4.762 . 0 0 "[ . 1 . ]" 1
246 1 13 LEU HG 1 44 LYS QE . . 5.500 4.858 3.660 5.575 0.075 2 0 "[ . 1 . ]" 1
247 1 14 PRO HA 1 15 GLN H . . 2.830 2.506 2.405 2.852 0.022 15 0 "[ . 1 . ]" 1
248 1 14 PRO HA 1 15 GLN HA . . 5.130 4.382 4.211 4.597 . 0 0 "[ . 1 . ]" 1
249 1 14 PRO HA 1 16 LYS H . . 5.060 4.512 4.198 4.818 . 0 0 "[ . 1 . ]" 1
250 1 14 PRO HB2 1 15 GLN H . . 3.990 2.575 2.089 2.868 . 0 0 "[ . 1 . ]" 1
251 1 14 PRO HB2 1 17 VAL MG2 . . 3.820 3.637 3.320 3.835 0.015 9 0 "[ . 1 . ]" 1
252 1 14 PRO HB2 1 18 ALA H . . 4.840 4.866 4.709 4.921 0.081 13 0 "[ . 1 . ]" 1
253 1 14 PRO HB3 1 15 GLN H . . 3.850 3.510 3.320 3.682 . 0 0 "[ . 1 . ]" 1
254 1 14 PRO HB3 1 16 LYS H . . 4.570 4.470 4.155 4.646 0.076 5 0 "[ . 1 . ]" 1
255 1 14 PRO HB3 1 17 VAL H . . 5.110 4.813 4.643 5.176 0.066 7 0 "[ . 1 . ]" 1
256 1 14 PRO HB3 1 17 VAL MG2 . . 4.370 4.398 4.009 4.475 0.105 5 0 "[ . 1 . ]" 1
257 1 14 PRO HD2 1 17 VAL H . . 4.910 4.423 3.864 4.716 . 0 0 "[ . 1 . ]" 1
258 1 14 PRO HD2 1 17 VAL HB . . 3.570 2.864 2.466 3.175 . 0 0 "[ . 1 . ]" 1
259 1 14 PRO HD2 1 17 VAL MG2 . . 3.910 3.072 2.753 3.466 . 0 0 "[ . 1 . ]" 1
260 1 14 PRO HD2 1 18 ALA H . . 5.430 4.540 4.204 4.845 . 0 0 "[ . 1 . ]" 1
261 1 14 PRO HD3 1 17 VAL HB . . 4.510 4.419 4.093 4.592 0.082 13 0 "[ . 1 . ]" 1
262 1 14 PRO HD3 1 17 VAL MG2 . . 4.550 3.998 3.663 4.248 . 0 0 "[ . 1 . ]" 1
263 1 14 PRO HG2 1 17 VAL H . . 4.830 2.560 2.096 3.002 . 0 0 "[ . 1 . ]" 1
264 1 14 PRO HG2 1 17 VAL MG2 . . 4.190 2.124 2.013 2.306 . 0 0 "[ . 1 . ]" 1
265 1 15 GLN H 1 15 GLN HB2 . . 3.140 2.642 2.447 2.829 . 0 0 "[ . 1 . ]" 1
266 1 15 GLN H 1 15 GLN HB3 . . 3.290 2.350 2.252 2.547 . 0 0 "[ . 1 . ]" 1
267 1 15 GLN H 1 15 GLN HG2 . . 4.570 4.372 4.270 4.630 0.060 15 0 "[ . 1 . ]" 1
268 1 15 GLN H 1 15 GLN HG3 . . 4.700 4.456 4.387 4.539 . 0 0 "[ . 1 . ]" 1
269 1 15 GLN H 1 16 LYS H . . 3.790 2.504 2.233 2.655 . 0 0 "[ . 1 . ]" 1
270 1 15 GLN H 1 16 LYS HA . . 4.920 4.998 4.840 5.014 0.094 18 0 "[ . 1 . ]" 1
271 1 15 GLN H 1 17 VAL H . . 5.120 4.298 4.168 4.460 . 0 0 "[ . 1 . ]" 1
272 1 15 GLN H 1 18 ALA H . . 5.170 4.870 4.671 5.246 0.076 15 0 "[ . 1 . ]" 1
273 1 15 GLN H 1 18 ALA MB . . 5.500 4.646 4.452 5.362 . 0 0 "[ . 1 . ]" 1
274 1 15 GLN HA 1 15 GLN HG2 . . 3.760 3.445 3.129 3.737 . 0 0 "[ . 1 . ]" 1
275 1 15 GLN HA 1 15 GLN HG3 . . 3.690 2.551 2.382 2.770 . 0 0 "[ . 1 . ]" 1
276 1 15 GLN HA 1 17 VAL H . . 4.690 4.469 4.213 4.740 0.050 15 0 "[ . 1 . ]" 1
277 1 15 GLN HA 1 18 ALA H . . 4.390 3.587 3.321 4.262 . 0 0 "[ . 1 . ]" 1
278 1 15 GLN HA 1 18 ALA MB . . 3.740 2.462 2.195 3.312 . 0 0 "[ . 1 . ]" 1
279 1 15 GLN HA 1 19 GLU HG3 . . 4.960 4.441 3.891 5.174 0.214 9 0 "[ . 1 . ]" 1
280 1 15 GLN HB2 1 16 LYS H . . 3.850 3.890 3.736 3.931 0.081 18 0 "[ . 1 . ]" 1
281 1 15 GLN HB2 1 16 LYS HA . . 5.500 5.398 5.258 5.561 0.061 16 0 "[ . 1 . ]" 1
282 1 15 GLN HB3 1 16 LYS H . . 3.350 2.548 2.375 2.670 . 0 0 "[ . 1 . ]" 1
283 1 15 GLN HE21 1 19 GLU HG2 . . 4.810 4.507 3.618 5.022 0.212 19 0 "[ . 1 . ]" 1
284 1 15 GLN HE21 1 19 GLU HG3 . . 4.950 4.421 3.314 5.001 0.051 8 0 "[ . 1 . ]" 1
285 1 15 GLN HE22 1 19 GLU HG2 . . 5.500 5.689 5.239 6.077 0.577 19 3 "[ * -. 1 . +]" 1
286 1 15 GLN HG2 1 16 LYS H . . 4.600 3.631 3.274 4.300 . 0 0 "[ . 1 . ]" 1
287 1 15 GLN HG2 1 16 LYS HA . . 4.820 3.424 2.954 4.077 . 0 0 "[ . 1 . ]" 1
288 1 15 GLN HG2 1 19 GLU H . . 5.480 4.574 4.031 5.551 0.071 15 0 "[ . 1 . ]" 1
289 1 15 GLN HG3 1 16 LYS H . . 4.680 4.357 3.933 4.664 . 0 0 "[ . 1 . ]" 1
290 1 15 GLN HG3 1 16 LYS HA . . 4.310 4.368 3.622 4.897 0.587 9 3 "[ * . +1 .- ]" 1
291 1 16 LYS H 1 16 LYS HB2 . . 3.190 2.237 1.931 2.605 . 0 0 "[ . 1 . ]" 1
292 1 16 LYS H 1 16 LYS QE . . 5.270 4.621 2.387 5.383 0.113 5 0 "[ . 1 . ]" 1
293 1 16 LYS H 1 16 LYS HG2 . . 3.960 3.398 2.328 4.035 0.075 18 0 "[ . 1 . ]" 1
294 1 16 LYS H 1 16 LYS HG3 . . 3.860 3.724 2.777 4.041 0.181 4 0 "[ . 1 . ]" 1
295 1 16 LYS H 1 17 VAL H . . 3.440 2.910 2.690 3.112 . 0 0 "[ . 1 . ]" 1
296 1 16 LYS H 1 17 VAL MG2 . . 4.990 4.367 3.954 4.557 . 0 0 "[ . 1 . ]" 1
297 1 16 LYS H 1 18 ALA H . . 4.690 4.440 4.171 4.740 0.050 8 0 "[ . 1 . ]" 1
298 1 16 LYS HA 1 16 LYS HB2 . . 3.000 2.958 2.770 3.058 0.058 14 0 "[ . 1 . ]" 1
299 1 16 LYS HA 1 16 LYS HG2 . . 3.730 2.721 2.042 3.716 . 0 0 "[ . 1 . ]" 1
300 1 16 LYS HA 1 16 LYS HG3 . . 3.710 3.264 2.336 3.752 0.042 9 0 "[ . 1 . ]" 1
301 1 16 LYS HA 1 18 ALA H . . 4.910 4.773 4.658 4.975 0.065 8 0 "[ . 1 . ]" 1
302 1 16 LYS HA 1 19 GLU H . . 3.840 3.746 3.404 3.908 0.068 9 0 "[ . 1 . ]" 1
303 1 16 LYS HA 1 19 GLU HB2 . . 3.390 3.180 2.529 3.463 0.073 12 0 "[ . 1 . ]" 1
304 1 16 LYS HA 1 19 GLU HG2 . . 4.730 4.782 4.345 5.325 0.595 16 2 "[ - . 1 .+ ]" 1
305 1 16 LYS HB3 1 17 VAL H . . 3.510 3.251 2.780 3.581 0.071 7 0 "[ . 1 . ]" 1
306 1 16 LYS HG2 1 17 VAL H . . 5.390 4.946 4.603 5.284 . 0 0 "[ . 1 . ]" 1
307 1 16 LYS HG3 1 17 VAL H . . 5.500 5.131 4.641 5.565 0.065 19 0 "[ . 1 . ]" 1
308 1 17 VAL H 1 17 VAL HB . . 3.170 2.360 2.203 2.550 . 0 0 "[ . 1 . ]" 1
309 1 17 VAL H 1 17 VAL MG1 . . 4.290 3.733 3.664 3.785 . 0 0 "[ . 1 . ]" 1
310 1 17 VAL H 1 17 VAL MG2 . . 3.240 2.251 1.935 2.523 . 0 0 "[ . 1 . ]" 1
311 1 17 VAL H 1 18 ALA H . . 3.020 2.638 2.392 2.938 . 0 0 "[ . 1 . ]" 1
312 1 17 VAL H 1 19 GLU H . . 4.370 4.186 3.930 4.418 0.048 5 0 "[ . 1 . ]" 1
313 1 17 VAL H 1 20 LYS H . . 5.190 5.196 5.026 5.279 0.089 15 0 "[ . 1 . ]" 1
314 1 17 VAL H 1 52 LEU QD . . 5.040 3.683 3.054 4.677 . 0 0 "[ . 1 . ]" 1
315 1 17 VAL HA 1 17 VAL MG1 . . 3.270 2.543 2.370 2.718 . 0 0 "[ . 1 . ]" 1
316 1 17 VAL HA 1 17 VAL MG2 . . 3.190 2.384 2.303 2.485 . 0 0 "[ . 1 . ]" 1
317 1 17 VAL HA 1 19 GLU H . . 5.230 4.512 4.165 4.771 . 0 0 "[ . 1 . ]" 1
318 1 17 VAL HA 1 20 LYS H . . 4.140 3.743 3.603 3.869 . 0 0 "[ . 1 . ]" 1
319 1 17 VAL HA 1 21 LEU H . . 5.450 4.354 4.044 4.989 . 0 0 "[ . 1 . ]" 1
320 1 17 VAL HA 1 52 LEU QD . . 3.160 2.446 2.147 3.066 . 0 0 "[ . 1 . ]" 1
321 1 17 VAL HA 1 52 LEU HG . . 4.980 4.488 3.430 5.057 0.077 14 0 "[ . 1 . ]" 1
322 1 17 VAL HB 1 18 ALA H . . 3.290 2.460 2.262 2.661 . 0 0 "[ . 1 . ]" 1
323 1 17 VAL HB 1 18 ALA HA . . 5.500 4.368 4.245 4.528 . 0 0 "[ . 1 . ]" 1
324 1 17 VAL HB 1 51 ALA MB . . 5.340 4.100 3.819 4.414 . 0 0 "[ . 1 . ]" 1
325 1 17 VAL MG1 1 18 ALA H . . 4.050 3.270 2.986 3.555 . 0 0 "[ . 1 . ]" 1
326 1 17 VAL MG1 1 18 ALA HA . . 3.570 3.485 3.188 3.671 0.101 18 0 "[ . 1 . ]" 1
327 1 17 VAL MG1 1 18 ALA MB . . 4.290 4.127 3.782 4.365 0.075 15 0 "[ . 1 . ]" 1
328 1 17 VAL MG1 1 19 GLU H . . 5.500 5.113 4.998 5.254 . 0 0 "[ . 1 . ]" 1
329 1 17 VAL MG1 1 20 LYS H . . 5.500 4.742 4.276 5.046 . 0 0 "[ . 1 . ]" 1
330 1 17 VAL MG1 1 21 LEU H . . 4.850 4.105 3.739 4.596 . 0 0 "[ . 1 . ]" 1
331 1 17 VAL MG1 1 21 LEU HB2 . . 4.490 2.865 2.316 3.874 . 0 0 "[ . 1 . ]" 1
332 1 17 VAL MG1 1 51 ALA MB . . 3.330 2.514 2.058 3.006 . 0 0 "[ . 1 . ]" 1
333 1 17 VAL MG2 1 18 ALA H . . 4.410 3.883 3.766 3.970 . 0 0 "[ . 1 . ]" 1
334 1 17 VAL MG2 1 20 LYS H . . 5.500 5.499 5.395 5.581 0.081 5 0 "[ . 1 . ]" 1
335 1 17 VAL MG2 1 48 GLU H . . 5.500 5.079 4.551 5.555 0.055 5 0 "[ . 1 . ]" 1
336 1 17 VAL MG2 1 48 GLU HA . . 3.450 3.002 2.357 3.434 . 0 0 "[ . 1 . ]" 1
337 1 17 VAL MG2 1 48 GLU QG . . 3.650 3.359 2.401 3.783 0.133 11 0 "[ . 1 . ]" 1
338 1 17 VAL MG2 1 51 ALA H . . 5.500 4.150 3.758 4.399 . 0 0 "[ . 1 . ]" 1
339 1 17 VAL MG2 1 51 ALA MB . . 3.240 1.984 1.886 2.101 . 0 0 "[ . 1 . ]" 1
340 1 17 VAL MG2 1 52 LEU H . . 4.300 3.400 2.532 3.880 . 0 0 "[ . 1 . ]" 1
341 1 18 ALA H 1 18 ALA MB . . 3.000 2.250 2.192 2.351 . 0 0 "[ . 1 . ]" 1
342 1 18 ALA H 1 19 GLU H . . 3.370 3.007 2.808 3.104 . 0 0 "[ . 1 . ]" 1
343 1 18 ALA H 1 20 LYS H . . 4.960 4.518 4.307 4.719 . 0 0 "[ . 1 . ]" 1
344 1 18 ALA HA 1 20 LYS H . . 5.500 4.264 3.835 4.733 . 0 0 "[ . 1 . ]" 1
345 1 18 ALA HA 1 21 LEU H . . 4.150 3.269 3.007 3.620 . 0 0 "[ . 1 . ]" 1
346 1 18 ALA HA 1 21 LEU HB2 . . 4.200 3.108 2.261 3.829 . 0 0 "[ . 1 . ]" 1
347 1 18 ALA HA 1 21 LEU HB3 . . 3.660 2.500 2.049 3.618 . 0 0 "[ . 1 . ]" 1
348 1 18 ALA HA 1 21 LEU QD . . 4.180 3.157 2.616 3.503 . 0 0 "[ . 1 . ]" 1
349 1 18 ALA HA 1 22 ASP H . . 4.570 3.670 3.428 4.129 . 0 0 "[ . 1 . ]" 1
350 1 18 ALA MB 1 19 GLU H . . 3.470 2.592 2.416 2.762 . 0 0 "[ . 1 . ]" 1
351 1 18 ALA MB 1 19 GLU HG2 . . 5.500 4.186 3.775 4.688 . 0 0 "[ . 1 . ]" 1
352 1 19 GLU H 1 19 GLU HB2 . . 3.160 2.359 2.027 2.597 . 0 0 "[ . 1 . ]" 1
353 1 19 GLU H 1 19 GLU HG2 . . 3.470 3.173 2.490 3.515 0.045 18 0 "[ . 1 . ]" 1
354 1 19 GLU H 1 19 GLU HG3 . . 3.800 2.885 2.214 3.574 . 0 0 "[ . 1 . ]" 1
355 1 19 GLU H 1 20 LYS H . . 3.480 2.873 2.658 2.998 . 0 0 "[ . 1 . ]" 1
356 1 19 GLU H 1 21 LEU H . . 4.610 4.079 3.946 4.332 . 0 0 "[ . 1 . ]" 1
357 1 19 GLU HA 1 19 GLU HG2 . . 3.900 2.422 2.269 2.756 . 0 0 "[ . 1 . ]" 1
358 1 19 GLU HA 1 19 GLU HG3 . . 3.560 3.471 3.284 3.718 0.158 9 0 "[ . 1 . ]" 1
359 1 19 GLU HA 1 22 ASP H . . 4.100 4.095 3.796 4.184 0.084 13 0 "[ . 1 . ]" 1
360 1 19 GLU HA 1 22 ASP HB3 . . 4.130 3.596 3.043 4.152 0.022 15 0 "[ . 1 . ]" 1
361 1 19 GLU HB2 1 20 LYS H . . 3.650 2.792 2.335 3.198 . 0 0 "[ . 1 . ]" 1
362 1 19 GLU HB3 1 20 LYS H . . 3.910 3.457 2.981 3.978 0.068 15 0 "[ . 1 . ]" 1
363 1 19 GLU HG2 1 20 LYS H . . 5.030 4.955 4.760 5.111 0.081 13 0 "[ . 1 . ]" 1
364 1 20 LYS H 1 20 LYS QD . . 3.060 2.642 2.323 3.142 0.082 13 0 "[ . 1 . ]" 1
365 1 20 LYS H 1 20 LYS HE3 . . 5.500 3.983 2.587 5.273 . 0 0 "[ . 1 . ]" 1
366 1 20 LYS H 1 20 LYS HG2 . . 4.600 3.941 2.348 4.486 . 0 0 "[ . 1 . ]" 1
367 1 20 LYS H 1 21 LEU H . . 3.160 2.321 2.019 2.580 . 0 0 "[ . 1 . ]" 1
368 1 20 LYS H 1 22 ASP H . . 5.090 4.123 3.710 4.386 . 0 0 "[ . 1 . ]" 1
369 1 20 LYS H 1 52 LEU QD . . 4.430 3.861 3.505 4.461 0.031 15 0 "[ . 1 . ]" 1
370 1 20 LYS H 1 55 LEU MD1 . . 5.130 3.679 3.404 4.075 . 0 0 "[ . 1 . ]" 1
371 1 20 LYS HA 1 20 LYS HE3 . . 4.550 3.717 2.333 4.994 0.444 5 0 "[ . 1 . ]" 1
372 1 20 LYS HA 1 20 LYS HG2 . . 3.920 3.664 3.601 3.791 . 0 0 "[ . 1 . ]" 1
373 1 20 LYS HA 1 22 ASP H . . 5.160 4.439 3.868 4.765 . 0 0 "[ . 1 . ]" 1
374 1 20 LYS QD 1 52 LEU HA . . 5.290 5.047 4.017 5.367 0.077 17 0 "[ . 1 . ]" 1
375 1 20 LYS QD 1 52 LEU QD . . 2.910 2.162 1.922 2.551 . 0 0 "[ . 1 . ]" 1
376 1 20 LYS HE2 1 52 LEU QD . . 4.840 3.751 1.989 4.529 . 0 0 "[ . 1 . ]" 1
377 1 20 LYS HE3 1 20 LYS HG2 . . 4.210 3.767 2.732 4.261 0.051 8 0 "[ . 1 . ]" 1
378 1 20 LYS HE3 1 52 LEU QD . . 4.550 3.982 3.193 4.820 0.270 4 0 "[ . 1 . ]" 1
379 1 20 LYS HG2 1 52 LEU HA . . 4.630 4.589 4.226 4.703 0.073 6 0 "[ . 1 . ]" 1
380 1 20 LYS HG2 1 52 LEU QD . . 4.140 2.368 2.054 3.000 . 0 0 "[ . 1 . ]" 1
381 1 21 LEU H 1 21 LEU HB2 . . 3.220 2.343 2.098 2.658 . 0 0 "[ . 1 . ]" 1
382 1 21 LEU H 1 21 LEU HB3 . . 3.430 2.659 2.366 3.349 . 0 0 "[ . 1 . ]" 1
383 1 21 LEU H 1 21 LEU QD . . 4.850 3.604 3.066 3.784 . 0 0 "[ . 1 . ]" 1
384 1 21 LEU H 1 22 ASP H . . 3.450 2.557 2.169 2.700 . 0 0 "[ . 1 . ]" 1
385 1 21 LEU H 1 22 ASP HB2 . . 5.040 5.014 4.602 5.116 0.076 8 0 "[ . 1 . ]" 1
386 1 21 LEU H 1 22 ASP HB3 . . 5.500 4.466 4.159 4.697 . 0 0 "[ . 1 . ]" 1
387 1 21 LEU H 1 23 GLU H . . 4.810 4.341 3.966 4.636 . 0 0 "[ . 1 . ]" 1
388 1 21 LEU H 1 55 LEU MD1 . . 3.930 2.987 2.597 3.609 . 0 0 "[ . 1 . ]" 1
389 1 21 LEU HA 1 21 LEU QD . . 3.190 2.444 2.110 3.003 . 0 0 "[ . 1 . ]" 1
390 1 21 LEU HA 1 21 LEU HG . . 4.240 2.874 2.016 3.452 . 0 0 "[ . 1 . ]" 1
391 1 21 LEU HA 1 24 ILE HB . . 3.520 3.556 3.386 3.606 0.086 15 0 "[ . 1 . ]" 1
392 1 21 LEU HA 1 24 ILE MD . . 3.420 2.603 2.042 3.507 0.087 13 0 "[ . 1 . ]" 1
393 1 21 LEU HA 1 24 ILE QG . . 4.740 2.278 1.962 2.730 . 0 0 "[ . 1 . ]" 1
394 1 21 LEU HA 1 24 ILE MG . . 5.080 4.416 4.250 4.562 . 0 0 "[ . 1 . ]" 1
395 1 21 LEU HA 1 25 TYR H . . 5.270 5.273 4.924 5.354 0.084 3 0 "[ . 1 . ]" 1
396 1 21 LEU HB2 1 22 ASP H . . 3.870 3.766 3.052 3.953 0.083 13 0 "[ . 1 . ]" 1
397 1 21 LEU HB2 1 55 LEU MD1 . . 3.540 2.460 2.091 3.608 0.068 4 0 "[ . 1 . ]" 1
398 1 21 LEU HB3 1 22 ASP H . . 3.760 2.804 2.556 3.058 . 0 0 "[ . 1 . ]" 1
399 1 21 LEU HB3 1 24 ILE H . . 5.440 5.342 4.779 5.514 0.074 8 0 "[ . 1 . ]" 1
400 1 21 LEU HB3 1 25 TYR QE . . 3.990 3.788 2.256 4.099 0.109 10 0 "[ . 1 . ]" 1
401 1 21 LEU QD 1 22 ASP H . . 4.600 4.035 3.810 4.216 . 0 0 "[ . 1 . ]" 1
402 1 21 LEU QD 1 24 ILE H . . 4.850 4.190 3.700 4.767 . 0 0 "[ . 1 . ]" 1
403 1 21 LEU QD 1 24 ILE HB . . 4.050 3.034 2.320 3.792 . 0 0 "[ . 1 . ]" 1
404 1 21 LEU QD 1 24 ILE MD . . 3.450 2.738 2.013 3.539 0.089 9 0 "[ . 1 . ]" 1
405 1 21 LEU QD 1 24 ILE MG . . 4.080 3.521 2.817 4.082 0.002 4 0 "[ . 1 . ]" 1
406 1 21 LEU QD 1 25 TYR H . . 5.500 4.776 4.326 5.372 . 0 0 "[ . 1 . ]" 1
407 1 21 LEU QD 1 25 TYR QE . . 4.430 2.346 1.825 2.894 . 0 0 "[ . 1 . ]" 1
408 1 21 LEU HG 1 24 ILE H . . 5.500 5.077 4.582 5.346 . 0 0 "[ . 1 . ]" 1
409 1 21 LEU HG 1 25 TYR QE . . 3.330 2.578 1.983 3.447 0.117 4 0 "[ . 1 . ]" 1
410 1 22 ASP H 1 22 ASP HB2 . . 2.930 2.620 2.531 2.711 . 0 0 "[ . 1 . ]" 1
411 1 22 ASP H 1 22 ASP HB3 . . 3.220 2.264 2.165 2.387 . 0 0 "[ . 1 . ]" 1
412 1 22 ASP H 1 23 GLU H . . 3.530 2.840 2.731 2.977 . 0 0 "[ . 1 . ]" 1
413 1 22 ASP H 1 23 GLU HB2 . . 4.470 4.603 4.235 5.217 0.747 13 3 "[ -. 1 + . *]" 1
414 1 22 ASP H 1 25 TYR H . . 5.500 5.387 5.126 5.518 0.018 8 0 "[ . 1 . ]" 1
415 1 22 ASP H 1 55 LEU MD1 . . 5.500 4.873 4.575 5.269 . 0 0 "[ . 1 . ]" 1
416 1 22 ASP HA 1 25 TYR H . . 3.990 3.707 3.437 3.911 . 0 0 "[ . 1 . ]" 1
417 1 22 ASP HA 1 25 TYR HB2 . . 3.710 3.565 3.241 3.784 0.074 13 0 "[ . 1 . ]" 1
418 1 22 ASP HA 1 25 TYR QD . . 2.990 2.347 2.103 2.656 . 0 0 "[ . 1 . ]" 1
419 1 22 ASP HA 1 26 VAL MG2 . . 5.340 4.207 3.891 4.736 . 0 0 "[ . 1 . ]" 1
420 1 22 ASP HB2 1 23 GLU H . . 4.200 3.982 3.820 4.148 . 0 0 "[ . 1 . ]" 1
421 1 22 ASP HB2 1 26 VAL MG2 . . 5.500 4.959 4.599 5.533 0.033 12 0 "[ . 1 . ]" 1
422 1 22 ASP HB3 1 23 GLU H . . 3.540 2.647 2.424 2.874 . 0 0 "[ . 1 . ]" 1
423 1 23 GLU H 1 23 GLU HB2 . . 3.070 2.119 1.923 2.433 . 0 0 "[ . 1 . ]" 1
424 1 23 GLU H 1 23 GLU HB3 . . 3.430 3.060 1.953 3.487 0.057 15 0 "[ . 1 . ]" 1
425 1 23 GLU H 1 23 GLU HG2 . . 3.900 3.495 2.799 4.200 0.300 16 0 "[ . 1 . ]" 1
426 1 23 GLU H 1 23 GLU HG3 . . 4.140 3.712 2.409 4.225 0.085 19 0 "[ . 1 . ]" 1
427 1 23 GLU H 1 24 ILE H . . 3.520 2.798 2.666 2.994 . 0 0 "[ . 1 . ]" 1
428 1 23 GLU H 1 24 ILE MD . . 5.500 5.138 4.362 5.517 0.017 11 0 "[ . 1 . ]" 1
429 1 23 GLU H 1 24 ILE QG . . 5.500 3.869 3.646 4.079 . 0 0 "[ . 1 . ]" 1
430 1 23 GLU H 1 25 TYR H . . 4.260 4.290 4.131 4.345 0.085 8 0 "[ . 1 . ]" 1
431 1 23 GLU H 1 25 TYR QD . . 5.500 5.118 4.641 5.449 . 0 0 "[ . 1 . ]" 1
432 1 23 GLU HA 1 23 GLU HG2 . . 4.030 2.578 2.080 3.769 . 0 0 "[ . 1 . ]" 1
433 1 23 GLU HA 1 23 GLU HG3 . . 2.990 3.244 2.596 3.639 0.649 17 9 "[ ** *** *1*- . + ]" 1
434 1 23 GLU HA 1 25 TYR H . . 4.680 3.965 3.673 4.242 . 0 0 "[ . 1 . ]" 1
435 1 23 GLU HA 1 26 VAL H . . 4.080 3.250 2.905 3.677 . 0 0 "[ . 1 . ]" 1
436 1 23 GLU HA 1 26 VAL HB . . 3.320 2.576 2.207 3.123 . 0 0 "[ . 1 . ]" 1
437 1 23 GLU HA 1 26 VAL MG1 . . 4.150 3.861 3.447 4.207 0.057 9 0 "[ . 1 . ]" 1
438 1 23 GLU HA 1 26 VAL MG2 . . 3.330 2.584 2.124 3.203 . 0 0 "[ . 1 . ]" 1
439 1 23 GLU HA 1 27 ALA H . . 5.070 4.440 3.750 5.108 0.038 18 0 "[ . 1 . ]" 1
440 1 23 GLU HB2 1 24 ILE H . . 4.110 3.442 2.591 4.115 0.005 13 0 "[ . 1 . ]" 1
441 1 23 GLU HB2 1 24 ILE HA . . 4.890 5.089 4.471 5.832 0.942 14 4 "[ -. 1 *+. *]" 1
442 1 23 GLU HB2 1 24 ILE QG . . 4.180 3.921 2.923 5.143 0.963 13 3 "[ . 1 +-. *]" 1
443 1 23 GLU HB3 1 24 ILE H . . 4.040 3.322 2.786 4.087 0.047 18 0 "[ . 1 . ]" 1
444 1 23 GLU HB3 1 24 ILE MD . . 5.500 4.806 2.574 5.571 0.071 5 0 "[ . 1 . ]" 1
445 1 23 GLU HG3 1 24 ILE H . . 4.970 5.149 4.399 5.582 0.612 5 4 "[ - +* 1 . * ]" 1
446 1 24 ILE H 1 24 ILE HB . . 3.030 2.589 2.396 2.720 . 0 0 "[ . 1 . ]" 1
447 1 24 ILE H 1 24 ILE MD . . 3.670 3.560 2.879 3.763 0.093 6 0 "[ . 1 . ]" 1
448 1 24 ILE H 1 24 ILE QG . . 3.380 2.025 1.930 2.138 . 0 0 "[ . 1 . ]" 1
449 1 24 ILE H 1 24 ILE MG . . 3.780 3.794 3.741 3.848 0.068 18 0 "[ . 1 . ]" 1
450 1 24 ILE H 1 25 TYR H . . 3.410 2.458 2.210 2.614 . 0 0 "[ . 1 . ]" 1
451 1 24 ILE H 1 26 VAL H . . 5.060 3.987 3.789 4.232 . 0 0 "[ . 1 . ]" 1
452 1 24 ILE H 1 59 LYS QE . . 5.500 4.409 3.254 5.392 . 0 0 "[ . 1 . ]" 1
453 1 24 ILE HA 1 24 ILE MD . . 4.000 3.525 2.226 3.970 . 0 0 "[ . 1 . ]" 1
454 1 24 ILE HA 1 24 ILE QG . . 3.680 2.591 2.334 3.054 . 0 0 "[ . 1 . ]" 1
455 1 24 ILE HA 1 24 ILE MG . . 3.340 2.434 2.311 2.628 . 0 0 "[ . 1 . ]" 1
456 1 24 ILE HA 1 27 ALA MB . . 3.990 3.677 2.989 4.100 0.110 12 0 "[ . 1 . ]" 1
457 1 24 ILE HA 1 29 LEU MD1 . . 3.440 2.634 2.115 3.096 . 0 0 "[ . 1 . ]" 1
458 1 24 ILE HA 1 29 LEU HG . . 5.340 4.784 3.941 5.391 0.051 14 0 "[ . 1 . ]" 1
459 1 24 ILE HA 1 59 LYS QE . . 4.540 2.387 1.905 3.266 . 0 0 "[ . 1 . ]" 1
460 1 24 ILE HB 1 24 ILE MD . . 3.380 2.720 2.436 3.318 . 0 0 "[ . 1 . ]" 1
461 1 24 ILE HB 1 25 TYR H . . 3.570 3.036 2.705 3.406 . 0 0 "[ . 1 . ]" 1
462 1 24 ILE HB 1 29 LEU HB2 . . 5.200 5.235 4.893 5.420 0.220 4 0 "[ . 1 . ]" 1
463 1 24 ILE MD 1 25 TYR H . . 5.370 4.947 4.615 5.162 . 0 0 "[ . 1 . ]" 1
464 1 24 ILE MD 1 58 PHE HB3 . . 4.990 3.605 2.607 4.375 . 0 0 "[ . 1 . ]" 1
465 1 24 ILE MD 1 58 PHE QD . . 2.980 2.436 2.030 3.074 0.094 19 0 "[ . 1 . ]" 1
466 1 24 ILE MD 1 59 LYS H . . 4.550 3.782 2.976 4.516 . 0 0 "[ . 1 . ]" 1
467 1 24 ILE MD 1 59 LYS QB . . 3.520 3.124 2.120 3.644 0.124 3 0 "[ . 1 . ]" 1
468 1 24 ILE MD 1 59 LYS QE . . 5.500 3.222 1.867 4.258 . 0 0 "[ . 1 . ]" 1
469 1 24 ILE QG 1 25 TYR H . . 5.190 3.966 3.823 4.091 . 0 0 "[ . 1 . ]" 1
470 1 24 ILE QG 1 59 LYS QE . . 5.500 2.772 1.982 4.151 . 0 0 "[ . 1 . ]" 1
471 1 24 ILE MG 1 25 TYR H . . 4.210 3.955 3.671 4.227 0.017 18 0 "[ . 1 . ]" 1
472 1 24 ILE MG 1 25 TYR HA . . 4.490 4.102 3.744 4.417 . 0 0 "[ . 1 . ]" 1
473 1 24 ILE MG 1 29 LEU HB2 . . 3.480 2.893 2.538 3.350 . 0 0 "[ . 1 . ]" 1
474 1 24 ILE MG 1 30 VAL H . . 4.130 3.400 3.030 4.112 . 0 0 "[ . 1 . ]" 1
475 1 24 ILE MG 1 30 VAL MG2 . . 3.560 2.006 1.821 2.247 . 0 0 "[ . 1 . ]" 1
476 1 24 ILE MG 1 58 PHE QD . . 3.720 2.831 2.239 3.564 . 0 0 "[ . 1 . ]" 1
477 1 24 ILE MG 1 59 LYS H . . 5.500 4.920 4.081 5.582 0.082 8 0 "[ . 1 . ]" 1
478 1 24 ILE MG 1 73 LEU QD . . 5.180 4.335 3.958 4.744 . 0 0 "[ . 1 . ]" 1
479 1 25 TYR H 1 25 TYR HB2 . . 3.480 2.482 2.392 2.599 . 0 0 "[ . 1 . ]" 1
480 1 25 TYR H 1 25 TYR HB3 . . 3.630 3.627 3.558 3.699 0.069 7 0 "[ . 1 . ]" 1
481 1 25 TYR H 1 25 TYR QD . . 3.340 2.899 2.557 3.325 . 0 0 "[ . 1 . ]" 1
482 1 25 TYR H 1 25 TYR QE . . 5.500 4.393 4.124 4.770 . 0 0 "[ . 1 . ]" 1
483 1 25 TYR H 1 26 VAL H . . 3.570 2.453 2.235 2.693 . 0 0 "[ . 1 . ]" 1
484 1 25 TYR H 1 26 VAL HB . . 4.850 4.542 4.262 4.904 0.054 11 0 "[ . 1 . ]" 1
485 1 25 TYR H 1 26 VAL MG2 . . 4.800 3.607 3.111 3.982 . 0 0 "[ . 1 . ]" 1
486 1 25 TYR H 1 30 VAL H . . 5.500 5.472 5.128 5.583 0.083 8 0 "[ . 1 . ]" 1
487 1 25 TYR HA 1 25 TYR QD . . 2.720 2.362 2.145 2.643 . 0 0 "[ . 1 . ]" 1
488 1 25 TYR HA 1 27 ALA H . . 5.500 4.245 3.694 4.481 . 0 0 "[ . 1 . ]" 1
489 1 25 TYR HA 1 28 GLY H . . 5.000 4.328 3.406 5.041 0.041 12 0 "[ . 1 . ]" 1
490 1 25 TYR HA 1 29 LEU H . . 5.500 4.285 3.612 5.044 . 0 0 "[ . 1 . ]" 1
491 1 25 TYR HA 1 30 VAL H . . 4.660 3.397 2.961 3.746 . 0 0 "[ . 1 . ]" 1
492 1 25 TYR HA 1 30 VAL MG2 . . 4.030 3.212 2.746 3.532 . 0 0 "[ . 1 . ]" 1
493 1 25 TYR HB2 1 26 VAL H . . 4.180 3.286 2.486 3.962 . 0 0 "[ . 1 . ]" 1
494 1 25 TYR HB2 1 26 VAL MG2 . . 4.960 3.474 3.009 3.781 . 0 0 "[ . 1 . ]" 1
495 1 25 TYR HB2 1 30 VAL MG2 . . 5.340 5.140 4.701 5.409 0.069 12 0 "[ . 1 . ]" 1
496 1 25 TYR HB3 1 26 VAL MG2 . . 5.180 4.540 3.994 4.823 . 0 0 "[ . 1 . ]" 1
497 1 25 TYR HB3 1 30 VAL MG2 . . 5.500 4.634 4.265 5.008 . 0 0 "[ . 1 . ]" 1
498 1 25 TYR QD 1 26 VAL H . . 5.110 4.518 4.047 4.815 . 0 0 "[ . 1 . ]" 1
499 1 25 TYR QD 1 26 VAL MG2 . . 4.840 4.646 4.306 4.937 0.097 17 0 "[ . 1 . ]" 1
500 1 25 TYR QD 1 30 VAL HB . . 4.630 3.858 3.185 4.633 0.003 8 0 "[ . 1 . ]" 1
501 1 25 TYR QD 1 30 VAL MG2 . . 3.110 2.412 2.092 3.049 . 0 0 "[ . 1 . ]" 1
502 1 25 TYR QE 1 30 VAL MG1 . . 4.260 4.244 3.801 4.383 0.123 1 0 "[ . 1 . ]" 1
503 1 25 TYR QE 1 30 VAL MG2 . . 4.640 2.277 2.027 2.452 . 0 0 "[ . 1 . ]" 1
504 1 25 TYR QE 1 32 HIS H . . 5.500 4.348 3.353 4.978 . 0 0 "[ . 1 . ]" 1
505 1 25 TYR QE 1 32 HIS HA . . 3.350 2.750 2.124 3.278 . 0 0 "[ . 1 . ]" 1
506 1 25 TYR QE 1 32 HIS HB2 . . 4.810 4.310 3.404 4.984 0.174 4 0 "[ . 1 . ]" 1
507 1 25 TYR QE 1 32 HIS HB3 . . 5.290 4.354 3.628 4.872 . 0 0 "[ . 1 . ]" 1
508 1 26 VAL H 1 26 VAL HB . . 3.110 2.461 2.208 2.655 . 0 0 "[ . 1 . ]" 1
509 1 26 VAL H 1 26 VAL MG1 . . 3.960 3.791 3.686 3.876 . 0 0 "[ . 1 . ]" 1
510 1 26 VAL H 1 26 VAL MG2 . . 3.040 2.335 1.975 2.787 . 0 0 "[ . 1 . ]" 1
511 1 26 VAL H 1 27 ALA H . . 3.530 2.525 2.011 2.990 . 0 0 "[ . 1 . ]" 1
512 1 26 VAL H 1 27 ALA MB . . 5.130 4.121 3.655 4.667 . 0 0 "[ . 1 . ]" 1
513 1 26 VAL HA 1 26 VAL MG1 . . 3.280 2.469 2.379 2.617 . 0 0 "[ . 1 . ]" 1
514 1 26 VAL HA 1 26 VAL MG2 . . 3.080 2.365 2.246 2.493 . 0 0 "[ . 1 . ]" 1
515 1 26 VAL HA 1 28 GLY H . . 5.000 3.923 3.518 4.474 . 0 0 "[ . 1 . ]" 1
516 1 26 VAL HB 1 27 ALA H . . 3.540 2.898 2.558 3.517 . 0 0 "[ . 1 . ]" 1
517 1 26 VAL HB 1 28 GLY H . . 5.230 5.093 4.819 5.310 0.080 18 0 "[ . 1 . ]" 1
518 1 26 VAL MG1 1 27 ALA H . . 4.180 3.650 3.208 4.231 0.051 18 0 "[ . 1 . ]" 1
519 1 26 VAL MG1 1 27 ALA HA . . 4.430 3.424 3.067 4.075 . 0 0 "[ . 1 . ]" 1
520 1 26 VAL MG1 1 27 ALA MB . . 5.500 3.792 3.211 4.223 . 0 0 "[ . 1 . ]" 1
521 1 26 VAL MG1 1 28 GLY H . . 5.090 4.652 4.395 5.051 . 0 0 "[ . 1 . ]" 1
522 1 26 VAL MG2 1 27 ALA H . . 4.220 4.033 3.912 4.184 . 0 0 "[ . 1 . ]" 1
523 1 26 VAL MG2 1 27 ALA MB . . 4.830 4.823 4.242 4.942 0.112 19 0 "[ . 1 . ]" 1
524 1 27 ALA H 1 27 ALA MB . . 2.940 2.215 2.139 2.339 . 0 0 "[ . 1 . ]" 1
525 1 27 ALA H 1 28 GLY H . . 3.350 2.815 2.260 3.090 . 0 0 "[ . 1 . ]" 1
526 1 27 ALA H 1 28 GLY HA2 . . 4.950 4.987 4.513 5.030 0.080 11 0 "[ . 1 . ]" 1
527 1 27 ALA H 1 28 GLY HA3 . . 5.300 5.343 4.950 5.379 0.079 12 0 "[ . 1 . ]" 1
528 1 27 ALA H 1 29 LEU MD1 . . 5.500 3.904 2.787 4.821 . 0 0 "[ . 1 . ]" 1
529 1 27 ALA MB 1 28 GLY H . . 3.920 3.460 3.150 3.689 . 0 0 "[ . 1 . ]" 1
530 1 27 ALA MB 1 28 GLY HA2 . . 5.500 4.920 4.695 5.102 . 0 0 "[ . 1 . ]" 1
531 1 27 ALA MB 1 28 GLY HA3 . . 4.960 4.535 4.308 4.651 . 0 0 "[ . 1 . ]" 1
532 1 27 ALA MB 1 29 LEU H . . 3.850 3.245 2.697 3.915 0.065 1 0 "[ . 1 . ]" 1
533 1 27 ALA MB 1 29 LEU MD1 . . 3.510 2.404 1.953 3.449 . 0 0 "[ . 1 . ]" 1
534 1 27 ALA MB 1 30 VAL H . . 5.500 5.016 4.342 5.573 0.073 14 0 "[ . 1 . ]" 1
535 1 28 GLY H 1 29 LEU H . . 3.350 2.646 2.193 2.959 . 0 0 "[ . 1 . ]" 1
536 1 28 GLY H 1 30 VAL H . . 5.210 4.646 3.934 5.174 . 0 0 "[ . 1 . ]" 1
537 1 28 GLY HA2 1 30 VAL H . . 4.860 4.640 3.526 4.932 0.072 14 0 "[ . 1 . ]" 1
538 1 29 LEU H 1 29 LEU HB2 . . 3.220 2.508 2.047 2.678 . 0 0 "[ . 1 . ]" 1
539 1 29 LEU H 1 29 LEU HB3 . . 3.710 3.623 3.295 3.716 0.006 12 0 "[ . 1 . ]" 1
540 1 29 LEU H 1 29 LEU MD1 . . 4.110 3.330 2.021 4.075 . 0 0 "[ . 1 . ]" 1
541 1 29 LEU H 1 29 LEU MD2 . . 4.260 3.709 2.858 4.270 0.010 14 0 "[ . 1 . ]" 1
542 1 29 LEU H 1 29 LEU HG . . 3.230 2.610 1.895 3.294 0.064 4 0 "[ . 1 . ]" 1
543 1 29 LEU H 1 30 VAL H . . 3.220 2.708 2.314 3.024 . 0 0 "[ . 1 . ]" 1
544 1 29 LEU HA 1 29 LEU MD1 . . 4.380 3.812 3.498 3.899 . 0 0 "[ . 1 . ]" 1
545 1 29 LEU HA 1 29 LEU MD2 . . 3.050 2.385 2.065 3.148 0.098 10 0 "[ . 1 . ]" 1
546 1 29 LEU HA 1 29 LEU HG . . 3.470 2.900 2.307 3.364 . 0 0 "[ . 1 . ]" 1
547 1 29 LEU HB2 1 29 LEU MD1 . . 3.330 2.239 2.118 2.453 . 0 0 "[ . 1 . ]" 1
548 1 29 LEU HB2 1 30 VAL H . . 4.030 2.165 1.922 2.619 . 0 0 "[ . 1 . ]" 1
549 1 29 LEU HB2 1 30 VAL HA . . 4.730 4.745 4.583 5.117 0.387 4 0 "[ . 1 . ]" 1
550 1 29 LEU HB2 1 30 VAL MG2 . . 4.270 2.868 2.353 3.464 . 0 0 "[ . 1 . ]" 1
551 1 29 LEU HB2 1 63 LEU QD . . 4.730 3.906 3.405 4.629 . 0 0 "[ . 1 . ]" 1
552 1 29 LEU HB3 1 29 LEU MD1 . . 3.580 2.566 2.238 3.089 . 0 0 "[ . 1 . ]" 1
553 1 29 LEU HB3 1 30 VAL H . . 4.400 3.115 2.103 3.667 . 0 0 "[ . 1 . ]" 1
554 1 29 LEU HB3 1 63 LEU QD . . 4.330 2.643 2.073 3.395 . 0 0 "[ . 1 . ]" 1
555 1 29 LEU MD1 1 30 VAL H . . 5.500 3.939 3.418 4.373 . 0 0 "[ . 1 . ]" 1
556 1 29 LEU MD1 1 59 LYS HD2 . . 4.430 3.635 2.182 4.227 . 0 0 "[ . 1 . ]" 1
557 1 29 LEU MD1 1 59 LYS HD3 . . 4.630 3.657 2.306 4.350 . 0 0 "[ . 1 . ]" 1
558 1 29 LEU MD1 1 59 LYS QE . . 4.030 1.879 1.747 2.318 . 0 0 "[ . 1 . ]" 1
559 1 29 LEU MD1 1 63 LEU QD . . 4.430 3.268 2.120 4.491 0.061 10 0 "[ . 1 . ]" 1
560 1 29 LEU MD2 1 63 LEU H . . 5.480 4.125 2.512 5.562 0.082 5 0 "[ . 1 . ]" 1
561 1 29 LEU MD2 1 63 LEU QD . . 4.210 2.626 1.933 4.197 . 0 0 "[ . 1 . ]" 1
562 1 29 LEU HG 1 30 VAL H . . 5.080 4.276 3.879 4.600 . 0 0 "[ . 1 . ]" 1
563 1 29 LEU HG 1 63 LEU QD . . 5.320 4.628 4.036 5.328 0.008 2 0 "[ . 1 . ]" 1
564 1 30 VAL H 1 30 VAL HB . . 3.940 3.783 3.612 3.938 . 0 0 "[ . 1 . ]" 1
565 1 30 VAL H 1 30 VAL MG1 . . 3.590 3.161 2.779 3.454 . 0 0 "[ . 1 . ]" 1
566 1 30 VAL H 1 30 VAL MG2 . . 3.460 2.227 2.023 2.472 . 0 0 "[ . 1 . ]" 1
567 1 30 VAL H 1 31 ALA H . . 5.000 4.495 4.373 4.608 . 0 0 "[ . 1 . ]" 1
568 1 30 VAL H 1 31 ALA HA . . 5.500 5.101 4.768 5.510 0.010 3 0 "[ . 1 . ]" 1
569 1 30 VAL H 1 59 LYS QE . . 5.500 5.596 5.514 5.613 0.113 13 0 "[ . 1 . ]" 1
570 1 30 VAL H 1 63 LEU QD . . 5.500 4.733 4.258 5.435 . 0 0 "[ . 1 . ]" 1
571 1 30 VAL HA 1 30 VAL MG1 . . 3.460 2.262 2.121 2.572 . 0 0 "[ . 1 . ]" 1
572 1 30 VAL HA 1 31 ALA H . . 2.860 2.398 2.085 2.740 . 0 0 "[ . 1 . ]" 1
573 1 30 VAL HA 1 31 ALA MB . . 4.480 4.051 3.648 4.196 . 0 0 "[ . 1 . ]" 1
574 1 30 VAL HB 1 31 ALA H . . 3.520 2.472 1.982 2.925 . 0 0 "[ . 1 . ]" 1
575 1 30 VAL HB 1 34 ASP QB . . 3.870 2.647 2.076 3.114 . 0 0 "[ . 1 . ]" 1
576 1 30 VAL MG1 1 31 ALA H . . 4.060 3.482 2.911 4.089 0.029 8 0 "[ . 1 . ]" 1
577 1 30 VAL MG1 1 34 ASP QB . . 4.450 3.140 2.242 4.079 . 0 0 "[ . 1 . ]" 1
578 1 30 VAL MG1 1 58 PHE HZ . . 3.180 2.663 2.087 3.280 0.100 15 0 "[ . 1 . ]" 1
579 1 30 VAL MG1 1 63 LEU QD . . 4.360 2.737 2.027 3.569 . 0 0 "[ . 1 . ]" 1
580 1 30 VAL MG1 1 69 LYS HA . . 4.960 4.046 3.647 4.309 . 0 0 "[ . 1 . ]" 1
581 1 30 VAL MG1 1 69 LYS HB3 . . 4.580 2.293 1.941 2.702 . 0 0 "[ . 1 . ]" 1
582 1 30 VAL MG2 1 31 ALA H . . 3.940 3.715 3.246 4.014 0.074 19 0 "[ . 1 . ]" 1
583 1 30 VAL MG2 1 34 ASP QB . . 4.380 3.849 3.407 4.078 . 0 0 "[ . 1 . ]" 1
584 1 30 VAL MG2 1 63 LEU QD . . 4.130 3.645 2.682 4.160 0.030 13 0 "[ . 1 . ]" 1
585 1 31 ALA H 1 31 ALA MB . . 3.130 2.284 2.027 2.488 . 0 0 "[ . 1 . ]" 1
586 1 31 ALA H 1 32 HIS H . . 5.500 4.414 3.172 4.651 . 0 0 "[ . 1 . ]" 1
587 1 31 ALA H 1 34 ASP H . . 4.910 3.835 3.363 4.504 . 0 0 "[ . 1 . ]" 1
588 1 31 ALA H 1 34 ASP QB . . 3.940 2.311 1.870 2.690 . 0 0 "[ . 1 . ]" 1
589 1 31 ALA HA 1 32 HIS H . . 3.530 2.429 2.227 3.128 . 0 0 "[ . 1 . ]" 1
590 1 31 ALA HA 1 33 SER H . . 4.160 4.171 3.966 4.237 0.077 18 0 "[ . 1 . ]" 1
591 1 31 ALA HA 1 34 ASP QB . . 4.890 4.453 4.112 4.828 . 0 0 "[ . 1 . ]" 1
592 1 31 ALA MB 1 32 HIS H . . 4.230 2.726 2.395 3.615 . 0 0 "[ . 1 . ]" 1
593 1 31 ALA MB 1 32 HIS HA . . 5.500 4.421 4.219 4.895 . 0 0 "[ . 1 . ]" 1
594 1 31 ALA MB 1 32 HIS HB3 . . 5.500 4.778 4.340 5.153 . 0 0 "[ . 1 . ]" 1
595 1 31 ALA MB 1 32 HIS HD2 . . 5.290 4.067 2.910 5.373 0.083 19 0 "[ . 1 . ]" 1
596 1 31 ALA MB 1 33 SER H . . 4.780 2.608 2.313 2.840 . 0 0 "[ . 1 . ]" 1
597 1 31 ALA MB 1 33 SER HA . . 5.020 4.820 4.402 5.115 0.095 10 0 "[ . 1 . ]" 1
598 1 31 ALA MB 1 33 SER HB2 . . 5.500 4.220 3.417 5.335 . 0 0 "[ . 1 . ]" 1
599 1 31 ALA MB 1 33 SER HB3 . . 5.500 4.284 3.539 5.347 . 0 0 "[ . 1 . ]" 1
600 1 31 ALA MB 1 34 ASP H . . 4.020 3.026 2.452 4.077 0.057 10 0 "[ . 1 . ]" 1
601 1 31 ALA MB 1 34 ASP QB . . 5.110 2.623 2.112 3.617 . 0 0 "[ . 1 . ]" 1
602 1 32 HIS H 1 32 HIS HB2 . . 4.020 3.623 3.499 3.861 . 0 0 "[ . 1 . ]" 1
603 1 32 HIS H 1 32 HIS HB3 . . 3.810 2.545 2.247 3.012 . 0 0 "[ . 1 . ]" 1
604 1 32 HIS H 1 33 SER H . . 5.490 2.854 2.386 3.444 . 0 0 "[ . 1 . ]" 1
605 1 32 HIS HA 1 32 HIS HD2 . . 4.830 4.502 4.082 4.872 0.042 15 0 "[ . 1 . ]" 1
606 1 32 HIS HA 1 34 ASP H . . 4.690 3.891 3.530 4.211 . 0 0 "[ . 1 . ]" 1
607 1 32 HIS HB2 1 33 SER H . . 4.700 4.130 3.619 4.385 . 0 0 "[ . 1 . ]" 1
608 1 32 HIS HB3 1 32 HIS HD2 . . 3.330 2.876 2.575 3.915 0.585 4 2 "[ +. 1 . -]" 1
609 1 32 HIS HB3 1 33 SER H . . 4.250 4.175 3.780 4.310 0.060 13 0 "[ . 1 . ]" 1
610 1 32 HIS HE1 1 33 SER HB2 . . 4.740 4.132 2.882 5.419 0.679 1 1 "[+ . 1 . ]" 1
611 1 33 SER H 1 33 SER HB3 . . 4.130 3.064 2.453 3.806 . 0 0 "[ . 1 . ]" 1
612 1 33 SER H 1 35 LEU H . . 5.500 4.754 4.373 5.111 . 0 0 "[ . 1 . ]" 1
613 1 33 SER HA 1 33 SER HB2 . . 2.860 2.697 2.401 3.022 0.162 15 0 "[ . 1 . ]" 1
614 1 33 SER HA 1 35 LEU H . . 4.580 3.363 2.896 3.889 . 0 0 "[ . 1 . ]" 1
615 1 34 ASP H 1 34 ASP QB . . 3.370 2.200 2.019 2.418 . 0 0 "[ . 1 . ]" 1
616 1 34 ASP H 1 35 LEU H . . 3.370 2.676 2.120 3.259 . 0 0 "[ . 1 . ]" 1
617 1 34 ASP H 1 35 LEU QD . . 5.500 3.193 2.003 4.733 . 0 0 "[ . 1 . ]" 1
618 1 34 ASP QB 1 35 LEU H . . 4.520 3.382 2.685 3.956 . 0 0 "[ . 1 . ]" 1
619 1 34 ASP QB 1 35 LEU QD . . 4.800 2.740 2.131 3.960 . 0 0 "[ . 1 . ]" 1
620 1 34 ASP QB 1 69 LYS HB2 . . 4.250 2.690 2.210 3.381 . 0 0 "[ . 1 . ]" 1
621 1 35 LEU H 1 35 LEU HB2 . . 4.010 2.461 2.326 2.711 . 0 0 "[ . 1 . ]" 1
622 1 35 LEU H 1 35 LEU HB3 . . 3.490 3.613 3.518 3.795 0.305 11 0 "[ . 1 . ]" 1
623 1 35 LEU H 1 35 LEU QD . . 4.780 2.538 1.950 3.511 . 0 0 "[ . 1 . ]" 1
624 1 35 LEU H 1 35 LEU HG . . 3.840 3.506 2.552 3.927 0.087 15 0 "[ . 1 . ]" 1
625 1 35 LEU H 1 36 ASP H . . 5.500 4.519 4.260 4.668 . 0 0 "[ . 1 . ]" 1
626 1 35 LEU HA 1 35 LEU QD . . 3.150 2.100 2.005 2.268 . 0 0 "[ . 1 . ]" 1
627 1 35 LEU HA 1 36 ASP H . . 2.860 2.481 2.112 2.884 0.024 11 0 "[ . 1 . ]" 1
628 1 35 LEU HA 1 39 ALA MB . . 4.090 3.688 3.269 4.106 0.016 3 0 "[ . 1 . ]" 1
629 1 35 LEU HA 1 70 SER H . . 5.500 4.114 3.411 5.007 . 0 0 "[ . 1 . ]" 1
630 1 35 LEU HA 1 70 SER QB . . 4.050 2.245 1.939 3.373 . 0 0 "[ . 1 . ]" 1
631 1 35 LEU HB2 1 36 ASP H . . 4.190 3.525 2.898 4.184 . 0 0 "[ . 1 . ]" 1
632 1 35 LEU HB2 1 39 ALA MB . . 3.640 3.519 2.669 4.032 0.392 17 0 "[ . 1 . ]" 1
633 1 35 LEU HB3 1 36 ASP H . . 4.740 2.409 1.982 3.179 . 0 0 "[ . 1 . ]" 1
634 1 35 LEU QD 1 36 ASP H . . 4.500 3.378 3.091 3.618 . 0 0 "[ . 1 . ]" 1
635 1 35 LEU QD 1 69 LYS HB2 . . 4.090 3.474 2.206 4.129 0.039 7 0 "[ . 1 . ]" 1
636 1 35 LEU QD 1 70 SER H . . 4.580 3.725 3.060 4.116 . 0 0 "[ . 1 . ]" 1
637 1 35 LEU QD 1 70 SER HA . . 4.550 2.183 2.011 2.639 . 0 0 "[ . 1 . ]" 1
638 1 35 LEU QD 1 70 SER QB . . 3.860 2.974 2.265 3.784 . 0 0 "[ . 1 . ]" 1
639 1 35 LEU QD 1 71 ALA H . . 5.500 5.007 4.789 5.475 . 0 0 "[ . 1 . ]" 1
640 1 35 LEU QD 1 73 LEU H . . 5.070 4.141 3.812 4.504 . 0 0 "[ . 1 . ]" 1
641 1 35 LEU QD 1 73 LEU HB2 . . 3.700 3.026 2.701 3.622 . 0 0 "[ . 1 . ]" 1
642 1 35 LEU QD 1 73 LEU QD . . 4.160 1.995 1.756 2.519 . 0 0 "[ . 1 . ]" 1
643 1 36 ASP H 1 36 ASP HB2 . . 3.880 2.988 2.392 3.944 0.064 12 0 "[ . 1 . ]" 1
644 1 36 ASP H 1 36 ASP HB3 . . 3.720 3.564 2.840 3.941 0.221 16 0 "[ . 1 . ]" 1
645 1 36 ASP H 1 39 ALA MB . . 4.120 2.588 2.323 3.101 . 0 0 "[ . 1 . ]" 1
646 1 36 ASP H 1 40 ILE H . . 4.750 4.565 3.895 4.828 0.078 13 0 "[ . 1 . ]" 1
647 1 36 ASP H 1 70 SER HA . . 4.190 4.053 3.292 4.273 0.083 2 0 "[ . 1 . ]" 1
648 1 36 ASP H 1 70 SER QB . . 4.080 2.564 1.934 3.285 . 0 0 "[ . 1 . ]" 1
649 1 36 ASP HA 1 37 GLU H . . 3.000 2.416 2.243 2.718 . 0 0 "[ . 1 . ]" 1
650 1 36 ASP HA 1 38 ARG H . . 5.110 4.444 4.132 4.897 . 0 0 "[ . 1 . ]" 1
651 1 36 ASP HA 1 39 ALA H . . 5.500 4.731 4.497 4.948 . 0 0 "[ . 1 . ]" 1
652 1 36 ASP HA 1 40 ILE H . . 5.500 5.488 5.310 5.588 0.088 19 0 "[ . 1 . ]" 1
653 1 36 ASP HA 1 40 ILE MD . . 5.330 4.899 3.645 5.420 0.090 4 0 "[ . 1 . ]" 1
654 1 36 ASP HB2 1 37 GLU H . . 3.250 3.117 2.110 3.663 0.413 15 0 "[ . 1 . ]" 1
655 1 36 ASP HB2 1 37 GLU QB . . 5.500 4.466 3.523 5.164 . 0 0 "[ . 1 . ]" 1
656 1 36 ASP HB2 1 38 ARG H . . 4.600 3.207 2.589 3.652 . 0 0 "[ . 1 . ]" 1
657 1 36 ASP HB2 1 39 ALA H . . 5.500 3.646 2.708 4.974 . 0 0 "[ . 1 . ]" 1
658 1 36 ASP HB3 1 37 GLU H . . 3.580 2.784 2.167 3.659 0.079 7 0 "[ . 1 . ]" 1
659 1 36 ASP HB3 1 39 ALA H . . 5.500 4.494 3.496 5.576 0.076 19 0 "[ . 1 . ]" 1
660 1 36 ASP HB3 1 39 ALA MB . . 5.270 4.873 4.180 5.591 0.321 19 0 "[ . 1 . ]" 1
661 1 37 GLU H 1 37 GLU QB . . 3.140 2.161 2.044 2.289 . 0 0 "[ . 1 . ]" 1
662 1 37 GLU H 1 37 GLU QG . . 4.200 3.986 3.850 4.079 . 0 0 "[ . 1 . ]" 1
663 1 37 GLU H 1 38 ARG H . . 3.540 2.856 2.551 3.261 . 0 0 "[ . 1 . ]" 1
664 1 37 GLU H 1 39 ALA H . . 5.030 4.270 3.985 4.470 . 0 0 "[ . 1 . ]" 1
665 1 37 GLU H 1 39 ALA MB . . 5.500 5.126 4.931 5.302 . 0 0 "[ . 1 . ]" 1
666 1 37 GLU HA 1 37 GLU QG . . 3.630 2.524 2.256 2.904 . 0 0 "[ . 1 . ]" 1
667 1 37 GLU HA 1 40 ILE H . . 3.960 3.275 2.907 3.683 . 0 0 "[ . 1 . ]" 1
668 1 37 GLU HA 1 40 ILE HB . . 3.460 2.944 2.466 3.522 0.062 19 0 "[ . 1 . ]" 1
669 1 37 GLU HA 1 40 ILE MD . . 4.340 3.799 2.146 4.391 0.051 17 0 "[ . 1 . ]" 1
670 1 37 GLU HA 1 40 ILE HG12 . . 4.710 2.836 2.157 4.784 0.074 10 0 "[ . 1 . ]" 1
671 1 37 GLU HA 1 40 ILE HG13 . . 4.810 3.440 2.735 4.880 0.070 16 0 "[ . 1 . ]" 1
672 1 37 GLU HA 1 40 ILE MG . . 5.230 4.241 3.872 4.928 . 0 0 "[ . 1 . ]" 1
673 1 37 GLU HA 1 41 GLU H . . 4.410 4.016 3.684 4.391 . 0 0 "[ . 1 . ]" 1
674 1 37 GLU QB 1 38 ARG H . . 3.310 2.624 2.319 2.932 . 0 0 "[ . 1 . ]" 1
675 1 37 GLU QG 1 38 ARG H . . 4.980 3.847 3.194 4.205 . 0 0 "[ . 1 . ]" 1
676 1 37 GLU QG 1 38 ARG HA . . 4.350 3.991 3.107 4.425 0.075 18 0 "[ . 1 . ]" 1
677 1 37 GLU QG 1 40 ILE MG . . 5.400 4.436 3.666 5.170 . 0 0 "[ . 1 . ]" 1
678 1 37 GLU QG 1 41 GLU H . . 3.940 3.822 3.451 4.045 0.105 10 0 "[ . 1 . ]" 1
679 1 38 ARG H 1 38 ARG QD . . 5.180 4.076 3.513 4.472 . 0 0 "[ . 1 . ]" 1
680 1 38 ARG H 1 38 ARG HG2 . . 3.100 2.738 1.879 3.536 0.436 12 0 "[ . 1 . ]" 1
681 1 38 ARG H 1 38 ARG HG3 . . 3.490 2.591 1.981 3.457 . 0 0 "[ . 1 . ]" 1
682 1 38 ARG H 1 39 ALA MB . . 4.510 4.474 4.299 4.584 0.074 13 0 "[ . 1 . ]" 1
683 1 38 ARG HA 1 38 ARG QD . . 4.210 3.958 3.214 4.295 0.085 13 0 "[ . 1 . ]" 1
684 1 38 ARG HA 1 38 ARG HG2 . . 3.620 2.749 2.257 3.696 0.076 17 0 "[ . 1 . ]" 1
685 1 38 ARG HA 1 38 ARG HG3 . . 3.630 3.485 3.119 3.716 0.086 19 0 "[ . 1 . ]" 1
686 1 38 ARG HA 1 39 ALA H . . 3.440 3.491 3.408 3.524 0.084 8 0 "[ . 1 . ]" 1
687 1 38 ARG HA 1 41 GLU H . . 4.060 3.590 2.949 4.108 0.048 6 0 "[ . 1 . ]" 1
688 1 38 ARG HA 1 41 GLU QB . . 3.200 2.716 2.070 3.264 0.064 15 0 "[ . 1 . ]" 1
689 1 39 ALA H 1 39 ALA MB . . 3.400 2.289 2.243 2.337 . 0 0 "[ . 1 . ]" 1
690 1 39 ALA H 1 40 ILE H . . 3.340 2.398 2.228 2.697 . 0 0 "[ . 1 . ]" 1
691 1 39 ALA H 1 40 ILE MD . . 4.490 4.259 3.206 4.572 0.082 2 0 "[ . 1 . ]" 1
692 1 39 ALA H 1 41 GLU H . . 4.670 3.998 3.758 4.431 . 0 0 "[ . 1 . ]" 1
693 1 39 ALA HA 1 42 ALA H . . 3.940 3.516 2.997 4.004 0.064 12 0 "[ . 1 . ]" 1
694 1 39 ALA HA 1 42 ALA MB . . 3.450 2.710 2.240 3.501 0.051 19 0 "[ . 1 . ]" 1
695 1 39 ALA HA 1 43 LEU H . . 4.710 4.031 3.690 4.451 . 0 0 "[ . 1 . ]" 1
696 1 39 ALA HA 1 73 LEU QD . . 5.450 3.708 2.727 5.012 . 0 0 "[ . 1 . ]" 1
697 1 39 ALA MB 1 40 ILE H . . 3.540 2.588 2.277 2.875 . 0 0 "[ . 1 . ]" 1
698 1 39 ALA MB 1 40 ILE MD . . 4.360 3.005 2.410 3.356 . 0 0 "[ . 1 . ]" 1
699 1 39 ALA MB 1 70 SER HA . . 5.030 3.789 2.714 4.325 . 0 0 "[ . 1 . ]" 1
700 1 39 ALA MB 1 70 SER QB . . 3.960 3.457 2.548 4.076 0.116 16 0 "[ . 1 . ]" 1
701 1 39 ALA MB 1 73 LEU QD . . 3.910 2.182 1.934 3.161 . 0 0 "[ . 1 . ]" 1
702 1 39 ALA MB 1 74 CYS H . . 4.700 4.062 3.550 4.759 0.059 2 0 "[ . 1 . ]" 1
703 1 39 ALA MB 1 74 CYS HB2 . . 5.330 3.473 2.498 5.217 . 0 0 "[ . 1 . ]" 1
704 1 40 ILE H 1 40 ILE HB . . 3.070 2.637 2.471 2.766 . 0 0 "[ . 1 . ]" 1
705 1 40 ILE H 1 40 ILE MD . . 4.230 2.662 1.638 3.011 . 0 0 "[ . 1 . ]" 1
706 1 40 ILE H 1 40 ILE HG12 . . 3.650 2.339 1.978 3.731 0.081 10 0 "[ . 1 . ]" 1
707 1 40 ILE H 1 40 ILE HG13 . . 3.610 3.444 2.520 3.666 0.056 17 0 "[ . 1 . ]" 1
708 1 40 ILE H 1 40 ILE MG . . 4.130 3.797 3.733 3.833 . 0 0 "[ . 1 . ]" 1
709 1 40 ILE H 1 41 GLU H . . 3.420 2.742 2.517 2.953 . 0 0 "[ . 1 . ]" 1
710 1 40 ILE H 1 42 ALA H . . 4.390 4.267 3.956 4.444 0.054 1 0 "[ . 1 . ]" 1
711 1 40 ILE H 1 43 LEU H . . 4.940 4.819 4.652 5.010 0.070 6 0 "[ . 1 . ]" 1
712 1 40 ILE HA 1 40 ILE MD . . 3.440 2.505 2.142 3.551 0.111 19 0 "[ . 1 . ]" 1
713 1 40 ILE HA 1 40 ILE HG12 . . 3.820 3.416 3.323 3.544 . 0 0 "[ . 1 . ]" 1
714 1 40 ILE HA 1 40 ILE HG13 . . 3.780 3.610 2.360 3.874 0.094 14 0 "[ . 1 . ]" 1
715 1 40 ILE HA 1 40 ILE MG . . 3.230 2.396 2.263 2.551 . 0 0 "[ . 1 . ]" 1
716 1 40 ILE HA 1 42 ALA H . . 5.330 4.680 4.260 4.942 . 0 0 "[ . 1 . ]" 1
717 1 40 ILE HA 1 43 LEU H . . 3.870 3.650 3.373 3.947 0.077 14 0 "[ . 1 . ]" 1
718 1 40 ILE HA 1 43 LEU HB2 . . 3.470 2.772 2.608 3.061 . 0 0 "[ . 1 . ]" 1
719 1 40 ILE HA 1 43 LEU HB3 . . 4.140 4.210 4.194 4.223 0.083 18 0 "[ . 1 . ]" 1
720 1 40 ILE HA 1 43 LEU HG . . 4.870 4.309 3.796 4.948 0.078 14 0 "[ . 1 . ]" 1
721 1 40 ILE HA 1 44 LYS H . . 5.500 4.685 4.202 5.025 . 0 0 "[ . 1 . ]" 1
722 1 40 ILE HB 1 40 ILE MD . . 3.500 3.113 2.148 3.298 . 0 0 "[ . 1 . ]" 1
723 1 40 ILE HB 1 41 GLU H . . 3.420 2.494 2.198 2.668 . 0 0 "[ . 1 . ]" 1
724 1 40 ILE MD 1 40 ILE MG . . 3.320 2.329 2.116 3.076 . 0 0 "[ . 1 . ]" 1
725 1 40 ILE HG13 1 41 GLU H . . 5.500 4.787 4.491 5.027 . 0 0 "[ . 1 . ]" 1
726 1 40 ILE MG 1 41 GLU H . . 4.200 3.531 3.239 3.786 . 0 0 "[ . 1 . ]" 1
727 1 40 ILE MG 1 41 GLU HA . . 3.990 3.701 3.372 4.045 0.055 7 0 "[ . 1 . ]" 1
728 1 40 ILE MG 1 43 LEU H . . 5.400 4.894 4.697 5.114 . 0 0 "[ . 1 . ]" 1
729 1 40 ILE MG 1 44 LYS HD3 . . 3.740 3.638 3.107 3.846 0.106 11 0 "[ . 1 . ]" 1
730 1 40 ILE MG 1 44 LYS QE . . 4.570 3.320 2.013 4.273 . 0 0 "[ . 1 . ]" 1
731 1 41 GLU H 1 41 GLU QB . . 3.020 2.163 2.086 2.255 . 0 0 "[ . 1 . ]" 1
732 1 41 GLU H 1 42 ALA H . . 3.440 2.843 2.707 2.966 . 0 0 "[ . 1 . ]" 1
733 1 41 GLU H 1 42 ALA MB . . 5.130 4.485 4.350 4.648 . 0 0 "[ . 1 . ]" 1
734 1 41 GLU H 1 43 LEU H . . 4.460 4.262 3.974 4.484 0.024 15 0 "[ . 1 . ]" 1
735 1 41 GLU HA 1 44 LYS H . . 3.990 3.657 3.400 4.035 0.045 15 0 "[ . 1 . ]" 1
736 1 41 GLU HA 1 44 LYS QB . . 3.540 3.244 2.596 3.621 0.081 15 0 "[ . 1 . ]" 1
737 1 41 GLU HA 1 44 LYS HD3 . . 4.870 4.472 3.477 4.941 0.071 18 0 "[ . 1 . ]" 1
738 1 41 GLU HA 1 44 LYS QE . . 4.300 3.925 2.375 4.397 0.097 14 0 "[ . 1 . ]" 1
739 1 41 GLU HA 1 44 LYS QG . . 5.500 4.254 2.379 5.481 . 0 0 "[ . 1 . ]" 1
740 1 41 GLU HA 1 45 GLU H . . 5.500 5.085 4.296 5.564 0.064 10 0 "[ . 1 . ]" 1
741 1 41 GLU QB 1 42 ALA H . . 3.440 2.534 2.307 3.487 0.047 15 0 "[ . 1 . ]" 1
742 1 41 GLU QG 1 42 ALA H . . 5.500 3.418 2.385 3.874 . 0 0 "[ . 1 . ]" 1
743 1 41 GLU QG 1 45 GLU QG . . 3.620 3.290 2.534 3.641 0.021 9 0 "[ . 1 . ]" 1
744 1 42 ALA H 1 42 ALA MB . . 2.970 2.223 2.188 2.265 . 0 0 "[ . 1 . ]" 1
745 1 42 ALA H 1 43 LEU H . . 3.510 2.780 2.641 2.969 . 0 0 "[ . 1 . ]" 1
746 1 42 ALA H 1 45 GLU H . . 5.490 5.105 4.768 5.464 . 0 0 "[ . 1 . ]" 1
747 1 42 ALA H 1 77 MET ME . . 4.970 4.651 3.888 5.036 0.066 8 0 "[ . 1 . ]" 1
748 1 42 ALA HA 1 45 GLU H . . 4.050 3.309 2.984 3.776 . 0 0 "[ . 1 . ]" 1
749 1 42 ALA HA 1 45 GLU QG . . 3.880 2.686 2.105 3.361 . 0 0 "[ . 1 . ]" 1
750 1 42 ALA MB 1 43 LEU H . . 3.450 2.728 2.470 3.040 . 0 0 "[ . 1 . ]" 1
751 1 42 ALA MB 1 77 MET ME . . 3.210 3.007 1.942 3.313 0.103 16 0 "[ . 1 . ]" 1
752 1 43 LEU H 1 43 LEU HB2 . . 3.200 2.157 1.949 2.294 . 0 0 "[ . 1 . ]" 1
753 1 43 LEU H 1 43 LEU HB3 . . 3.600 3.453 3.262 3.547 . 0 0 "[ . 1 . ]" 1
754 1 43 LEU H 1 43 LEU MD2 . . 4.380 4.029 3.838 4.144 . 0 0 "[ . 1 . ]" 1
755 1 43 LEU H 1 43 LEU HG . . 3.030 2.991 2.663 3.112 0.082 13 0 "[ . 1 . ]" 1
756 1 43 LEU H 1 46 PHE QD . . 4.960 4.709 4.282 5.027 0.067 19 0 "[ . 1 . ]" 1
757 1 43 LEU H 1 77 MET ME . . 3.630 3.346 2.809 3.716 0.086 12 0 "[ . 1 . ]" 1
758 1 43 LEU HA 1 43 LEU MD2 . . 3.480 2.098 2.039 2.171 . 0 0 "[ . 1 . ]" 1
759 1 43 LEU HA 1 43 LEU HG . . 3.210 2.612 2.304 2.865 . 0 0 "[ . 1 . ]" 1
760 1 43 LEU HA 1 46 PHE HB2 . . 5.130 3.808 3.101 4.454 . 0 0 "[ . 1 . ]" 1
761 1 43 LEU HA 1 46 PHE QD . . 3.120 2.570 2.185 3.109 . 0 0 "[ . 1 . ]" 1
762 1 43 LEU HA 1 51 ALA MB . . 5.500 4.302 3.805 4.843 . 0 0 "[ . 1 . ]" 1
763 1 43 LEU HB2 1 43 LEU MD1 . . 3.480 2.281 2.209 2.329 . 0 0 "[ . 1 . ]" 1
764 1 43 LEU HB2 1 44 LYS H . . 3.150 2.962 2.656 3.209 0.059 8 0 "[ . 1 . ]" 1
765 1 43 LEU HB2 1 77 MET ME . . 4.840 3.781 3.365 4.180 . 0 0 "[ . 1 . ]" 1
766 1 43 LEU HB3 1 43 LEU MD1 . . 3.490 2.448 2.313 2.588 . 0 0 "[ . 1 . ]" 1
767 1 43 LEU HB3 1 77 MET ME . . 4.550 4.468 4.053 4.634 0.084 15 0 "[ . 1 . ]" 1
768 1 43 LEU MD1 1 77 MET ME . . 3.650 2.970 2.588 3.666 0.016 4 0 "[ . 1 . ]" 1
769 1 43 LEU MD2 1 46 PHE HB2 . . 5.500 3.949 3.043 4.367 . 0 0 "[ . 1 . ]" 1
770 1 43 LEU MD2 1 46 PHE QD . . 4.010 3.435 2.835 4.089 0.079 4 0 "[ . 1 . ]" 1
771 1 43 LEU MD2 1 51 ALA HA . . 3.930 3.822 3.242 4.046 0.116 12 0 "[ . 1 . ]" 1
772 1 43 LEU MD2 1 51 ALA MB . . 3.770 2.949 2.364 3.562 . 0 0 "[ . 1 . ]" 1
773 1 43 LEU MD2 1 54 VAL HB . . 4.210 4.163 3.689 4.323 0.113 3 0 "[ . 1 . ]" 1
774 1 43 LEU MD2 1 54 VAL MG1 . . 3.860 3.632 3.109 3.991 0.131 17 0 "[ . 1 . ]" 1
775 1 43 LEU MD2 1 77 MET ME . . 4.310 2.708 2.034 3.526 . 0 0 "[ . 1 . ]" 1
776 1 43 LEU HG 1 77 MET ME . . 3.550 2.076 1.948 2.313 . 0 0 "[ . 1 . ]" 1
777 1 44 LYS H 1 44 LYS QB . . 3.240 2.265 1.951 2.630 . 0 0 "[ . 1 . ]" 1
778 1 44 LYS H 1 44 LYS HD2 . . 4.350 4.259 3.686 4.434 0.084 18 0 "[ . 1 . ]" 1
779 1 44 LYS H 1 44 LYS HD3 . . 3.750 3.103 2.443 3.814 0.064 9 0 "[ . 1 . ]" 1
780 1 44 LYS H 1 44 LYS QE . . 5.420 4.307 3.139 5.074 . 0 0 "[ . 1 . ]" 1
781 1 44 LYS H 1 44 LYS QG . . 4.670 3.306 1.975 3.886 . 0 0 "[ . 1 . ]" 1
782 1 44 LYS H 1 45 GLU H . . 3.390 2.772 2.456 3.060 . 0 0 "[ . 1 . ]" 1
783 1 44 LYS HA 1 44 LYS HD2 . . 3.710 3.326 2.356 3.794 0.084 1 0 "[ . 1 . ]" 1
784 1 44 LYS HA 1 44 LYS HD3 . . 3.540 3.219 2.558 3.606 0.066 2 0 "[ . 1 . ]" 1
785 1 44 LYS HA 1 44 LYS QG . . 3.500 2.439 2.000 3.206 . 0 0 "[ . 1 . ]" 1
786 1 44 LYS QB 1 44 LYS QE . . 4.010 2.903 2.176 3.761 . 0 0 "[ . 1 . ]" 1
787 1 44 LYS QB 1 45 GLU H . . 5.000 3.028 2.459 3.317 . 0 0 "[ . 1 . ]" 1
788 1 45 GLU H 1 45 GLU HB2 . . 3.070 2.482 2.157 3.179 0.109 9 0 "[ . 1 . ]" 1
789 1 45 GLU H 1 45 GLU QG . . 3.700 2.518 1.867 2.971 . 0 0 "[ . 1 . ]" 1
790 1 45 GLU H 1 46 PHE HA . . 5.500 5.271 5.016 5.537 0.037 2 0 "[ . 1 . ]" 1
791 1 45 GLU H 1 46 PHE HB2 . . 5.150 4.755 4.442 5.208 0.058 9 0 "[ . 1 . ]" 1
792 1 45 GLU HA 1 45 GLU HB2 . . 2.960 2.980 2.292 3.030 0.070 3 0 "[ . 1 . ]" 1
793 1 45 GLU HA 1 45 GLU QG . . 3.470 2.518 2.212 3.241 . 0 0 "[ . 1 . ]" 1
794 1 45 GLU HA 1 46 PHE H . . 3.350 3.260 2.790 3.432 0.082 7 0 "[ . 1 . ]" 1
795 1 45 GLU HB2 1 46 PHE H . . 4.380 3.758 3.304 4.390 0.010 9 0 "[ . 1 . ]" 1
796 1 45 GLU HB2 1 46 PHE HA . . 4.990 4.789 4.187 5.076 0.086 2 0 "[ . 1 . ]" 1
797 1 46 PHE H 1 46 PHE HB2 . . 3.280 2.472 2.280 2.896 . 0 0 "[ . 1 . ]" 1
798 1 46 PHE H 1 46 PHE HB3 . . 3.930 3.635 3.534 3.870 . 0 0 "[ . 1 . ]" 1
799 1 46 PHE H 1 47 ASN H . . 4.340 4.393 4.210 4.432 0.092 7 0 "[ . 1 . ]" 1
800 1 46 PHE H 1 51 ALA MB . . 5.060 4.290 4.079 4.633 . 0 0 "[ . 1 . ]" 1
801 1 46 PHE HA 1 46 PHE QD . . 3.510 2.668 2.252 3.146 . 0 0 "[ . 1 . ]" 1
802 1 46 PHE HA 1 47 ASN H . . 2.980 2.225 1.993 2.549 . 0 0 "[ . 1 . ]" 1
803 1 46 PHE HA 1 51 ALA H . . 4.700 4.757 4.676 4.777 0.077 17 0 "[ . 1 . ]" 1
804 1 46 PHE HB2 1 47 ASN H . . 4.210 3.870 3.470 4.210 . 0 0 "[ . 1 . ]" 1
805 1 46 PHE HB2 1 51 ALA H . . 4.190 3.675 3.263 4.066 . 0 0 "[ . 1 . ]" 1
806 1 46 PHE HB2 1 51 ALA MB . . 3.490 2.351 2.182 2.788 . 0 0 "[ . 1 . ]" 1
807 1 46 PHE HB3 1 47 ASN H . . 3.380 2.651 2.005 3.152 . 0 0 "[ . 1 . ]" 1
808 1 46 PHE HB3 1 50 GLY QA . . 4.920 3.074 2.397 3.575 . 0 0 "[ . 1 . ]" 1
809 1 46 PHE HB3 1 51 ALA H . . 3.800 2.466 2.285 2.705 . 0 0 "[ . 1 . ]" 1
810 1 46 PHE HB3 1 51 ALA MB . . 3.960 2.589 2.279 2.992 . 0 0 "[ . 1 . ]" 1
811 1 46 PHE QD 1 50 GLY QA . . 3.690 2.782 2.138 3.753 0.063 17 0 "[ . 1 . ]" 1
812 1 46 PHE QD 1 51 ALA H . . 4.400 3.982 3.508 4.353 . 0 0 "[ . 1 . ]" 1
813 1 46 PHE QD 1 51 ALA HA . . 5.260 3.716 3.006 4.227 . 0 0 "[ . 1 . ]" 1
814 1 46 PHE QD 1 51 ALA MB . . 4.410 3.704 3.273 4.056 . 0 0 "[ . 1 . ]" 1
815 1 46 PHE QD 1 54 VAL MG1 . . 4.520 4.400 3.662 4.648 0.128 14 0 "[ . 1 . ]" 1
816 1 46 PHE QD 1 54 VAL MG2 . . 4.050 3.389 3.090 3.584 . 0 0 "[ . 1 . ]" 1
817 1 46 PHE HZ 1 54 VAL MG1 . . 4.560 4.307 3.836 4.659 0.099 4 0 "[ . 1 . ]" 1
818 1 46 PHE HZ 1 54 VAL MG2 . . 3.900 3.148 2.686 3.588 . 0 0 "[ . 1 . ]" 1
819 1 46 PHE HZ 1 77 MET HA . . 3.490 2.721 2.456 3.147 . 0 0 "[ . 1 . ]" 1
820 1 46 PHE HZ 1 77 MET HB3 . . 3.150 2.879 2.472 3.218 0.068 6 0 "[ . 1 . ]" 1
821 1 46 PHE HZ 1 77 MET HG2 . . 4.490 4.038 3.240 4.557 0.067 7 0 "[ . 1 . ]" 1
822 1 46 PHE HZ 1 77 MET HG3 . . 5.250 5.129 3.999 5.324 0.074 7 0 "[ . 1 . ]" 1
823 1 46 PHE HZ 1 80 TYR HB2 . . 3.570 2.975 2.661 3.369 . 0 0 "[ . 1 . ]" 1
824 1 46 PHE HZ 1 81 ARG H . . 4.550 3.038 2.808 3.449 . 0 0 "[ . 1 . ]" 1
825 1 46 PHE HZ 1 81 ARG HG2 . . 5.270 4.121 2.560 5.595 0.325 11 0 "[ . 1 . ]" 1
826 1 46 PHE HZ 1 82 GLN H . . 5.500 5.570 5.556 5.581 0.081 7 0 "[ . 1 . ]" 1
827 1 47 ASN H 1 47 ASN HB2 . . 3.940 3.618 1.999 3.855 . 0 0 "[ . 1 . ]" 1
828 1 47 ASN H 1 47 ASN HB3 . . 3.480 2.849 2.614 3.294 . 0 0 "[ . 1 . ]" 1
829 1 47 ASN H 1 47 ASN QD . . 5.130 3.769 2.035 4.542 . 0 0 "[ . 1 . ]" 1
830 1 47 ASN H 1 50 GLY H . . 5.080 3.839 3.193 4.272 . 0 0 "[ . 1 . ]" 1
831 1 47 ASN H 1 50 GLY QA . . 5.280 3.262 2.628 3.643 . 0 0 "[ . 1 . ]" 1
832 1 47 ASN H 1 51 ALA H . . 5.140 3.748 2.965 4.305 . 0 0 "[ . 1 . ]" 1
833 1 47 ASN H 1 51 ALA MB . . 5.500 4.384 3.864 4.992 . 0 0 "[ . 1 . ]" 1
834 1 47 ASN HA 1 48 GLU H . . 3.030 2.493 2.332 2.692 . 0 0 "[ . 1 . ]" 1
835 1 47 ASN HA 1 49 ASP H . . 5.500 4.967 4.582 5.203 . 0 0 "[ . 1 . ]" 1
836 1 47 ASN HB2 1 48 GLU H . . 3.380 2.247 2.080 3.606 0.226 11 0 "[ . 1 . ]" 1
837 1 47 ASN HB2 1 48 GLU HB3 . . 4.930 4.104 3.621 5.221 0.291 11 0 "[ . 1 . ]" 1
838 1 47 ASN HB2 1 49 ASP H . . 4.430 3.608 3.045 3.961 . 0 0 "[ . 1 . ]" 1
839 1 47 ASN HB2 1 50 GLY H . . 4.570 3.943 2.812 4.297 . 0 0 "[ . 1 . ]" 1
840 1 47 ASN HB3 1 48 GLU H . . 3.510 3.524 2.235 3.600 0.090 2 0 "[ . 1 . ]" 1
841 1 47 ASN HB3 1 49 ASP H . . 5.500 4.798 2.431 5.328 . 0 0 "[ . 1 . ]" 1
842 1 47 ASN HB3 1 50 GLY H . . 4.440 4.403 2.449 4.527 0.087 15 0 "[ . 1 . ]" 1
843 1 47 ASN QD 1 48 GLU H . . 5.500 3.658 2.755 4.672 . 0 0 "[ . 1 . ]" 1
844 1 47 ASN QD 1 49 ASP H . . 4.810 2.830 2.273 3.965 . 0 0 "[ . 1 . ]" 1
845 1 47 ASN QD 1 49 ASP HB2 . . 5.420 3.703 2.565 5.281 . 0 0 "[ . 1 . ]" 1
846 1 47 ASN QD 1 49 ASP HB3 . . 5.010 2.834 2.067 4.908 . 0 0 "[ . 1 . ]" 1
847 1 47 ASN QD 1 50 GLY H . . 4.770 2.546 2.042 4.158 . 0 0 "[ . 1 . ]" 1
848 1 48 GLU H 1 48 GLU HB2 . . 3.480 2.103 2.006 2.179 . 0 0 "[ . 1 . ]" 1
849 1 48 GLU H 1 48 GLU HB3 . . 3.150 2.685 2.330 2.942 . 0 0 "[ . 1 . ]" 1
850 1 48 GLU H 1 48 GLU QG . . 3.570 3.679 3.658 3.687 0.117 15 0 "[ . 1 . ]" 1
851 1 48 GLU H 1 49 ASP H . . 3.570 3.081 2.837 3.292 . 0 0 "[ . 1 . ]" 1
852 1 48 GLU HA 1 48 GLU QG . . 2.940 2.252 2.146 2.334 . 0 0 "[ . 1 . ]" 1
853 1 48 GLU HA 1 51 ALA MB . . 3.450 3.259 2.937 3.538 0.088 18 0 "[ . 1 . ]" 1
854 1 48 GLU HB2 1 49 ASP H . . 3.680 3.538 3.330 3.694 0.014 13 0 "[ . 1 . ]" 1
855 1 48 GLU HB3 1 49 ASP H . . 3.510 2.177 1.974 2.731 . 0 0 "[ . 1 . ]" 1
856 1 48 GLU HB3 1 49 ASP HA . . 4.150 4.136 3.908 4.223 0.073 19 0 "[ . 1 . ]" 1
857 1 48 GLU QG 1 49 ASP H . . 4.160 3.609 3.208 4.248 0.088 13 0 "[ . 1 . ]" 1
858 1 48 GLU QG 1 49 ASP HA . . 5.150 3.936 3.474 4.719 . 0 0 "[ . 1 . ]" 1
859 1 48 GLU QG 1 52 LEU H . . 5.500 4.683 4.090 5.387 . 0 0 "[ . 1 . ]" 1
860 1 48 GLU QG 1 52 LEU QD . . 3.500 2.644 2.047 3.448 . 0 0 "[ . 1 . ]" 1
861 1 49 ASP H 1 49 ASP HB2 . . 3.090 2.406 2.015 2.901 . 0 0 "[ . 1 . ]" 1
862 1 49 ASP H 1 49 ASP HB3 . . 3.100 2.694 2.334 3.168 0.068 2 0 "[ . 1 . ]" 1
863 1 49 ASP H 1 52 LEU QD . . 5.500 4.396 3.841 4.889 . 0 0 "[ . 1 . ]" 1
864 1 49 ASP HA 1 49 ASP HB3 . . 2.950 3.001 2.906 3.023 0.073 8 0 "[ . 1 . ]" 1
865 1 49 ASP HA 1 51 ALA H . . 5.500 4.660 4.331 5.149 . 0 0 "[ . 1 . ]" 1
866 1 49 ASP HA 1 52 LEU H . . 4.320 3.409 3.041 3.825 . 0 0 "[ . 1 . ]" 1
867 1 49 ASP HA 1 52 LEU HB2 . . 3.390 2.551 2.115 3.873 0.483 14 0 "[ . 1 . ]" 1
868 1 49 ASP HA 1 52 LEU HB3 . . 4.260 3.786 2.166 4.323 0.063 15 0 "[ . 1 . ]" 1
869 1 49 ASP HA 1 52 LEU QD . . 3.680 2.941 2.166 3.669 . 0 0 "[ . 1 . ]" 1
870 1 49 ASP HA 1 52 LEU HG . . 4.790 4.060 3.386 4.874 0.084 13 0 "[ . 1 . ]" 1
871 1 49 ASP HA 1 53 ALA H . . 4.550 3.955 3.631 4.455 . 0 0 "[ . 1 . ]" 1
872 1 49 ASP HB3 1 50 GLY H . . 3.660 2.890 2.454 3.685 0.025 19 0 "[ . 1 . ]" 1
873 1 49 ASP HB3 1 50 GLY QA . . 5.090 3.941 3.666 4.245 . 0 0 "[ . 1 . ]" 1
874 1 49 ASP HB3 1 53 ALA H . . 5.500 5.499 5.054 5.586 0.086 19 0 "[ . 1 . ]" 1
875 1 50 GLY H 1 51 ALA H . . 3.150 2.753 2.310 3.087 . 0 0 "[ . 1 . ]" 1
876 1 50 GLY H 1 51 ALA MB . . 4.840 4.329 3.911 4.643 . 0 0 "[ . 1 . ]" 1
877 1 50 GLY QA 1 53 ALA MB . . 4.130 2.987 2.442 3.315 . 0 0 "[ . 1 . ]" 1
878 1 51 ALA H 1 51 ALA MB . . 3.030 2.206 2.177 2.239 . 0 0 "[ . 1 . ]" 1
879 1 51 ALA H 1 52 LEU H . . 3.450 2.805 2.645 2.938 . 0 0 "[ . 1 . ]" 1
880 1 51 ALA H 1 52 LEU HB2 . . 5.020 4.802 4.457 5.082 0.062 18 0 "[ . 1 . ]" 1
881 1 51 ALA H 1 53 ALA H . . 4.940 4.344 4.166 4.646 . 0 0 "[ . 1 . ]" 1
882 1 51 ALA H 1 53 ALA MB . . 5.500 5.006 4.695 5.232 . 0 0 "[ . 1 . ]" 1
883 1 51 ALA H 1 54 VAL MG2 . . 5.500 4.462 3.903 4.957 . 0 0 "[ . 1 . ]" 1
884 1 51 ALA HA 1 53 ALA H . . 5.500 4.525 4.352 4.847 . 0 0 "[ . 1 . ]" 1
885 1 51 ALA HA 1 54 VAL H . . 3.990 3.497 3.292 3.973 . 0 0 "[ . 1 . ]" 1
886 1 51 ALA HA 1 54 VAL HB . . 3.400 2.798 2.172 3.408 0.008 7 0 "[ . 1 . ]" 1
887 1 51 ALA HA 1 54 VAL MG1 . . 4.790 3.994 3.403 4.491 . 0 0 "[ . 1 . ]" 1
888 1 51 ALA HA 1 54 VAL MG2 . . 3.740 2.787 2.177 3.347 . 0 0 "[ . 1 . ]" 1
889 1 51 ALA HA 1 55 LEU H . . 4.770 4.471 4.151 4.833 0.063 11 0 "[ . 1 . ]" 1
890 1 51 ALA MB 1 52 LEU H . . 3.390 2.524 2.377 2.689 . 0 0 "[ . 1 . ]" 1
891 1 51 ALA MB 1 54 VAL HB . . 5.270 4.075 3.676 4.453 . 0 0 "[ . 1 . ]" 1
892 1 51 ALA MB 1 54 VAL MG2 . . 5.210 4.096 3.671 4.562 . 0 0 "[ . 1 . ]" 1
893 1 52 LEU H 1 52 LEU HB2 . . 2.810 2.287 2.076 2.460 . 0 0 "[ . 1 . ]" 1
894 1 52 LEU H 1 52 LEU HB3 . . 3.660 3.423 2.463 3.621 . 0 0 "[ . 1 . ]" 1
895 1 52 LEU H 1 52 LEU QD . . 4.000 2.876 2.380 3.627 . 0 0 "[ . 1 . ]" 1
896 1 52 LEU H 1 53 ALA H . . 3.310 2.818 2.747 2.901 . 0 0 "[ . 1 . ]" 1
897 1 52 LEU H 1 53 ALA HA . . 5.500 5.393 5.340 5.455 . 0 0 "[ . 1 . ]" 1
898 1 52 LEU H 1 53 ALA MB . . 4.410 4.454 4.360 4.492 0.082 17 0 "[ . 1 . ]" 1
899 1 52 LEU H 1 54 VAL H . . 5.310 4.340 4.120 4.526 . 0 0 "[ . 1 . ]" 1
900 1 52 LEU H 1 55 LEU HG . . 4.980 4.777 4.252 5.054 0.074 3 0 "[ . 1 . ]" 1
901 1 52 LEU HA 1 52 LEU QD . . 2.960 2.061 1.909 2.171 . 0 0 "[ . 1 . ]" 1
902 1 52 LEU HA 1 52 LEU HG . . 4.010 3.228 2.511 3.757 . 0 0 "[ . 1 . ]" 1
903 1 52 LEU HA 1 54 VAL H . . 4.560 4.540 4.404 4.628 0.068 3 0 "[ . 1 . ]" 1
904 1 52 LEU HA 1 55 LEU H . . 4.260 3.331 3.062 3.638 . 0 0 "[ . 1 . ]" 1
905 1 52 LEU HA 1 55 LEU HB2 . . 3.480 2.758 2.591 2.922 . 0 0 "[ . 1 . ]" 1
906 1 52 LEU HA 1 55 LEU HB3 . . 4.310 4.343 4.222 4.385 0.075 11 0 "[ . 1 . ]" 1
907 1 52 LEU HA 1 55 LEU MD1 . . 3.820 2.843 2.188 3.427 . 0 0 "[ . 1 . ]" 1
908 1 52 LEU HB2 1 53 ALA H . . 3.540 2.957 2.491 3.969 0.429 14 0 "[ . 1 . ]" 1
909 1 52 LEU HB2 1 53 ALA HA . . 4.950 4.846 4.344 5.807 0.857 18 2 "[ . 1 -. + ]" 1
910 1 52 LEU HB3 1 53 ALA H . . 4.110 3.274 2.524 3.641 . 0 0 "[ . 1 . ]" 1
911 1 52 LEU QD 1 53 ALA H . . 5.460 4.100 3.924 4.280 . 0 0 "[ . 1 . ]" 1
912 1 53 ALA H 1 53 ALA MB . . 2.980 2.208 2.164 2.264 . 0 0 "[ . 1 . ]" 1
913 1 53 ALA H 1 54 VAL H . . 3.330 2.812 2.575 2.960 . 0 0 "[ . 1 . ]" 1
914 1 53 ALA H 1 54 VAL MG2 . . 5.320 4.299 3.826 4.576 . 0 0 "[ . 1 . ]" 1
915 1 53 ALA H 1 55 LEU H . . 5.280 4.087 3.892 4.236 . 0 0 "[ . 1 . ]" 1
916 1 53 ALA H 1 80 TYR QE . . 5.500 5.352 5.094 5.570 0.070 13 0 "[ . 1 . ]" 1
917 1 53 ALA HA 1 56 GLN H . . 3.990 3.468 3.187 3.677 . 0 0 "[ . 1 . ]" 1
918 1 53 ALA HA 1 56 GLN QB . . 3.420 2.968 2.406 3.424 0.004 6 0 "[ . 1 . ]" 1
919 1 53 ALA HA 1 56 GLN HE21 . . 5.130 3.472 2.145 5.200 0.070 10 0 "[ . 1 . ]" 1
920 1 53 ALA MB 1 54 VAL H . . 3.630 2.486 2.357 2.592 . 0 0 "[ . 1 . ]" 1
921 1 53 ALA MB 1 54 VAL MG2 . . 4.440 3.195 2.879 3.427 . 0 0 "[ . 1 . ]" 1
922 1 53 ALA MB 1 55 LEU H . . 4.650 4.401 4.269 4.499 . 0 0 "[ . 1 . ]" 1
923 1 53 ALA MB 1 56 GLN H . . 5.020 4.698 4.509 4.848 . 0 0 "[ . 1 . ]" 1
924 1 53 ALA MB 1 56 GLN QB . . 5.350 4.274 3.862 4.779 . 0 0 "[ . 1 . ]" 1
925 1 53 ALA MB 1 56 GLN HE22 . . 5.500 4.302 2.687 5.894 0.394 11 0 "[ . 1 . ]" 1
926 1 53 ALA MB 1 57 GLN H . . 5.180 4.683 4.428 5.047 . 0 0 "[ . 1 . ]" 1
927 1 53 ALA MB 1 80 TYR QD . . 3.950 3.420 3.149 3.942 . 0 0 "[ . 1 . ]" 1
928 1 53 ALA MB 1 80 TYR QE . . 2.890 2.351 2.140 2.689 . 0 0 "[ . 1 . ]" 1
929 1 54 VAL H 1 54 VAL HB . . 3.050 2.532 2.314 2.836 . 0 0 "[ . 1 . ]" 1
930 1 54 VAL H 1 54 VAL MG1 . . 4.340 3.763 3.696 3.816 . 0 0 "[ . 1 . ]" 1
931 1 54 VAL H 1 54 VAL MG2 . . 3.240 2.167 1.929 2.319 . 0 0 "[ . 1 . ]" 1
932 1 54 VAL H 1 76 VAL QG . . 5.500 4.941 4.704 5.278 . 0 0 "[ . 1 . ]" 1
933 1 54 VAL HA 1 54 VAL MG1 . . 3.560 2.513 2.302 2.669 . 0 0 "[ . 1 . ]" 1
934 1 54 VAL HA 1 54 VAL MG2 . . 3.270 2.479 2.367 2.669 . 0 0 "[ . 1 . ]" 1
935 1 54 VAL HA 1 56 GLN H . . 5.450 4.718 4.505 4.989 . 0 0 "[ . 1 . ]" 1
936 1 54 VAL HA 1 57 GLN H . . 4.440 3.757 3.429 4.002 . 0 0 "[ . 1 . ]" 1
937 1 54 VAL HA 1 57 GLN HB2 . . 4.170 3.947 3.428 4.261 0.091 7 0 "[ . 1 . ]" 1
938 1 54 VAL HA 1 57 GLN HB3 . . 4.200 3.490 2.867 4.211 0.011 3 0 "[ . 1 . ]" 1
939 1 54 VAL HA 1 76 VAL QG . . 3.580 2.658 2.367 3.092 . 0 0 "[ . 1 . ]" 1
940 1 54 VAL HB 1 55 LEU HA . . 4.470 4.401 4.179 4.544 0.074 5 0 "[ . 1 . ]" 1
941 1 54 VAL HB 1 73 LEU QD . . 5.500 4.746 3.936 5.172 . 0 0 "[ . 1 . ]" 1
942 1 54 VAL HB 1 76 VAL QG . . 4.560 4.490 4.193 4.606 0.046 16 0 "[ . 1 . ]" 1
943 1 54 VAL MG1 1 55 LEU H . . 4.420 3.662 3.438 4.183 . 0 0 "[ . 1 . ]" 1
944 1 54 VAL MG1 1 55 LEU HA . . 4.700 3.598 3.156 4.317 . 0 0 "[ . 1 . ]" 1
945 1 54 VAL MG1 1 55 LEU HG . . 5.260 4.371 3.841 5.238 . 0 0 "[ . 1 . ]" 1
946 1 54 VAL MG1 1 57 GLN H . . 5.500 5.026 4.749 5.453 . 0 0 "[ . 1 . ]" 1
947 1 54 VAL MG1 1 58 PHE H . . 5.150 4.490 3.999 5.214 0.064 18 0 "[ . 1 . ]" 1
948 1 54 VAL MG1 1 58 PHE HB2 . . 5.240 3.590 3.195 4.397 . 0 0 "[ . 1 . ]" 1
949 1 54 VAL MG1 1 76 VAL H . . 5.500 4.999 4.612 5.553 0.053 16 0 "[ . 1 . ]" 1
950 1 54 VAL MG1 1 76 VAL HB . . 4.330 3.070 2.618 3.773 . 0 0 "[ . 1 . ]" 1
951 1 54 VAL MG1 1 76 VAL QG . . 3.420 2.330 2.030 2.655 . 0 0 "[ . 1 . ]" 1
952 1 54 VAL MG1 1 77 MET H . . 3.670 3.361 3.003 3.741 0.071 15 0 "[ . 1 . ]" 1
953 1 54 VAL MG1 1 77 MET HA . . 3.690 2.763 2.212 3.286 . 0 0 "[ . 1 . ]" 1
954 1 54 VAL MG1 1 77 MET HG2 . . 4.160 2.167 1.901 2.677 . 0 0 "[ . 1 . ]" 1
955 1 54 VAL MG1 1 77 MET HG3 . . 4.170 2.895 1.920 3.487 . 0 0 "[ . 1 . ]" 1
956 1 54 VAL MG1 1 80 TYR HB2 . . 4.500 3.893 2.877 4.310 . 0 0 "[ . 1 . ]" 1
957 1 54 VAL MG1 1 80 TYR QD . . 3.980 3.133 2.282 3.712 . 0 0 "[ . 1 . ]" 1
958 1 54 VAL MG1 1 80 TYR QE . . 4.740 3.900 2.824 4.387 . 0 0 "[ . 1 . ]" 1
959 1 54 VAL MG2 1 55 LEU H . . 4.380 4.013 3.720 4.135 . 0 0 "[ . 1 . ]" 1
960 1 54 VAL MG2 1 55 LEU HG . . 5.340 5.165 4.909 5.433 0.093 19 0 "[ . 1 . ]" 1
961 1 54 VAL MG2 1 76 VAL QG . . 3.770 3.218 2.773 3.766 . 0 0 "[ . 1 . ]" 1
962 1 54 VAL MG2 1 77 MET H . . 5.300 4.499 4.041 5.213 . 0 0 "[ . 1 . ]" 1
963 1 54 VAL MG2 1 77 MET HA . . 3.600 2.580 2.169 3.298 . 0 0 "[ . 1 . ]" 1
964 1 54 VAL MG2 1 77 MET HB3 . . 5.270 4.123 3.656 4.883 . 0 0 "[ . 1 . ]" 1
965 1 54 VAL MG2 1 77 MET HG2 . . 3.790 3.223 2.792 3.857 0.067 17 0 "[ . 1 . ]" 1
966 1 54 VAL MG2 1 77 MET HG3 . . 4.490 4.288 2.659 4.591 0.101 16 0 "[ . 1 . ]" 1
967 1 54 VAL MG2 1 80 TYR H . . 5.500 4.132 3.740 4.653 . 0 0 "[ . 1 . ]" 1
968 1 54 VAL MG2 1 80 TYR HB2 . . 3.820 2.455 2.149 2.965 . 0 0 "[ . 1 . ]" 1
969 1 54 VAL MG2 1 80 TYR QD . . 3.270 2.495 2.159 2.930 . 0 0 "[ . 1 . ]" 1
970 1 54 VAL MG2 1 80 TYR QE . . 4.020 3.539 3.260 3.787 . 0 0 "[ . 1 . ]" 1
971 1 54 VAL MG2 1 81 ARG H . . 5.500 4.710 4.172 5.165 . 0 0 "[ . 1 . ]" 1
972 1 55 LEU H 1 55 LEU HB2 . . 2.950 2.495 2.291 2.649 . 0 0 "[ . 1 . ]" 1
973 1 55 LEU H 1 55 LEU HB3 . . 3.800 3.642 3.553 3.719 . 0 0 "[ . 1 . ]" 1
974 1 55 LEU H 1 55 LEU MD1 . . 4.140 3.953 3.733 4.122 . 0 0 "[ . 1 . ]" 1
975 1 55 LEU H 1 55 LEU MD2 . . 4.170 3.357 2.966 3.915 . 0 0 "[ . 1 . ]" 1
976 1 55 LEU H 1 55 LEU HG . . 3.340 2.700 2.423 3.056 . 0 0 "[ . 1 . ]" 1
977 1 55 LEU H 1 57 GLN H . . 3.930 4.010 4.001 4.015 0.085 15 0 "[ . 1 . ]" 1
978 1 55 LEU HA 1 55 LEU MD2 . . 2.910 2.113 2.040 2.214 . 0 0 "[ . 1 . ]" 1
979 1 55 LEU HA 1 55 LEU HG . . 3.480 3.286 2.915 3.477 . 0 0 "[ . 1 . ]" 1
980 1 55 LEU HA 1 58 PHE H . . 3.900 3.515 3.096 3.841 . 0 0 "[ . 1 . ]" 1
981 1 55 LEU HA 1 58 PHE HB2 . . 3.920 3.574 2.563 3.988 0.068 3 0 "[ . 1 . ]" 1
982 1 55 LEU HA 1 58 PHE HB3 . . 3.520 2.700 2.376 3.099 . 0 0 "[ . 1 . ]" 1
983 1 55 LEU HA 1 58 PHE QD . . 4.620 3.818 2.703 4.433 . 0 0 "[ . 1 . ]" 1
984 1 55 LEU HA 1 73 LEU QD . . 5.300 4.045 3.672 4.468 . 0 0 "[ . 1 . ]" 1
985 1 55 LEU HB2 1 55 LEU MD1 . . 3.350 2.382 2.279 2.484 . 0 0 "[ . 1 . ]" 1
986 1 55 LEU HB2 1 56 GLN H . . 3.620 2.530 2.302 2.886 . 0 0 "[ . 1 . ]" 1
987 1 55 LEU HB3 1 56 GLN H . . 4.480 3.485 3.144 3.893 . 0 0 "[ . 1 . ]" 1
988 1 55 LEU MD2 1 58 PHE HB2 . . 5.050 4.395 3.369 4.861 . 0 0 "[ . 1 . ]" 1
989 1 55 LEU MD2 1 58 PHE HB3 . . 4.290 3.798 3.329 4.129 . 0 0 "[ . 1 . ]" 1
990 1 55 LEU MD2 1 73 LEU QD . . 3.380 3.205 2.810 3.443 0.063 16 0 "[ . 1 . ]" 1
991 1 56 GLN H 1 56 GLN QB . . 3.470 2.192 2.094 2.353 . 0 0 "[ . 1 . ]" 1
992 1 56 GLN H 1 57 GLN H . . 3.160 2.788 2.659 2.934 . 0 0 "[ . 1 . ]" 1
993 1 56 GLN H 1 58 PHE H . . 4.520 4.131 3.688 4.342 . 0 0 "[ . 1 . ]" 1
994 1 56 GLN H 1 58 PHE HB3 . . 5.500 5.197 4.789 5.559 0.059 16 0 "[ . 1 . ]" 1
995 1 56 GLN QG 1 58 PHE H . . 5.350 4.815 4.216 5.156 . 0 0 "[ . 1 . ]" 1
996 1 57 GLN H 1 57 GLN HB2 . . 3.370 2.318 2.115 2.545 . 0 0 "[ . 1 . ]" 1
997 1 57 GLN H 1 57 GLN HB3 . . 3.240 2.807 2.611 3.141 . 0 0 "[ . 1 . ]" 1
998 1 57 GLN H 1 57 GLN HE21 . . 5.500 5.208 4.509 5.576 0.076 16 0 "[ . 1 . ]" 1
999 1 57 GLN H 1 57 GLN HG2 . . 4.690 4.578 4.466 4.619 . 0 0 "[ . 1 . ]" 1
1000 1 57 GLN H 1 58 PHE H . . 3.440 2.559 2.388 2.739 . 0 0 "[ . 1 . ]" 1
1001 1 57 GLN HA 1 57 GLN HG2 . . 3.840 2.856 2.384 3.255 . 0 0 "[ . 1 . ]" 1
1002 1 57 GLN HA 1 57 GLN HG3 . . 3.900 2.370 2.191 2.595 . 0 0 "[ . 1 . ]" 1
1003 1 57 GLN HA 1 60 ASP HB2 . . 3.850 3.086 2.120 4.090 0.240 12 0 "[ . 1 . ]" 1
1004 1 57 GLN HA 1 60 ASP HB3 . . 4.150 3.100 2.072 4.215 0.065 8 0 "[ . 1 . ]" 1
1005 1 57 GLN HA 1 76 VAL QG . . 5.370 4.446 4.085 4.822 . 0 0 "[ . 1 . ]" 1
1006 1 57 GLN HB2 1 58 PHE H . . 3.750 3.873 3.730 4.013 0.263 11 0 "[ . 1 . ]" 1
1007 1 57 GLN HB2 1 76 VAL QG . . 3.640 3.599 3.193 3.890 0.250 1 0 "[ . 1 . ]" 1
1008 1 57 GLN HB3 1 58 PHE H . . 3.940 3.058 2.600 3.658 . 0 0 "[ . 1 . ]" 1
1009 1 57 GLN HB3 1 76 VAL QG . . 3.880 2.327 1.998 2.590 . 0 0 "[ . 1 . ]" 1
1010 1 57 GLN HB3 1 80 TYR QE . . 4.990 2.403 2.179 2.637 . 0 0 "[ . 1 . ]" 1
1011 1 57 GLN HE21 1 76 VAL QG . . 5.500 2.680 1.821 3.838 . 0 0 "[ . 1 . ]" 1
1012 1 57 GLN HE21 1 80 TYR QD . . 5.500 4.317 3.561 4.849 . 0 0 "[ . 1 . ]" 1
1013 1 57 GLN HE21 1 80 TYR QE . . 4.000 2.773 2.240 3.655 . 0 0 "[ . 1 . ]" 1
1014 1 57 GLN HE22 1 76 VAL QG . . 5.500 3.280 2.231 3.796 . 0 0 "[ . 1 . ]" 1
1015 1 57 GLN HE22 1 79 THR MG . . 5.380 3.824 2.835 5.474 0.094 6 0 "[ . 1 . ]" 1
1016 1 57 GLN HE22 1 80 TYR H . . 5.500 5.479 5.239 5.578 0.078 4 0 "[ . 1 . ]" 1
1017 1 57 GLN HE22 1 80 TYR HA . . 5.500 5.540 5.199 5.582 0.082 16 0 "[ . 1 . ]" 1
1018 1 57 GLN HE22 1 80 TYR QD . . 5.500 4.164 3.631 4.589 . 0 0 "[ . 1 . ]" 1
1019 1 57 GLN HG2 1 58 PHE H . . 5.160 4.557 4.128 5.027 . 0 0 "[ . 1 . ]" 1
1020 1 57 GLN HG2 1 76 VAL QG . . 5.080 3.265 2.470 3.767 . 0 0 "[ . 1 . ]" 1
1021 1 57 GLN HG3 1 58 PHE H . . 4.960 5.067 4.843 5.242 0.282 18 0 "[ . 1 . ]" 1
1022 1 57 GLN HG3 1 76 VAL QG . . 4.940 4.249 3.752 4.671 . 0 0 "[ . 1 . ]" 1
1023 1 58 PHE H 1 58 PHE HB2 . . 3.170 2.633 2.338 3.066 . 0 0 "[ . 1 . ]" 1
1024 1 58 PHE H 1 58 PHE HB3 . . 3.160 2.459 2.230 2.784 . 0 0 "[ . 1 . ]" 1
1025 1 58 PHE H 1 58 PHE QD . . 5.460 4.213 4.099 4.309 . 0 0 "[ . 1 . ]" 1
1026 1 58 PHE H 1 76 VAL QG . . 4.400 3.327 2.620 3.780 . 0 0 "[ . 1 . ]" 1
1027 1 58 PHE HA 1 58 PHE QD . . 3.610 2.532 2.165 3.037 . 0 0 "[ . 1 . ]" 1
1028 1 58 PHE HA 1 60 ASP H . . 5.500 4.332 3.951 4.666 . 0 0 "[ . 1 . ]" 1
1029 1 58 PHE HA 1 63 LEU QD . . 5.010 4.100 3.598 4.533 . 0 0 "[ . 1 . ]" 1
1030 1 58 PHE HA 1 73 LEU QD . . 5.060 4.403 3.857 4.794 . 0 0 "[ . 1 . ]" 1
1031 1 58 PHE HA 1 76 VAL HB . . 5.000 4.788 4.120 5.078 0.078 16 0 "[ . 1 . ]" 1
1032 1 58 PHE HA 1 76 VAL QG . . 3.910 2.820 2.243 3.328 . 0 0 "[ . 1 . ]" 1
1033 1 58 PHE HB2 1 59 LYS H . . 4.010 3.909 3.550 4.079 0.069 19 0 "[ . 1 . ]" 1
1034 1 58 PHE HB2 1 73 LEU QD . . 3.850 2.834 2.266 3.247 . 0 0 "[ . 1 . ]" 1
1035 1 58 PHE HB2 1 76 VAL QG . . 4.400 2.869 2.452 3.794 . 0 0 "[ . 1 . ]" 1
1036 1 58 PHE HB3 1 59 LYS H . . 3.550 2.573 2.223 2.944 . 0 0 "[ . 1 . ]" 1
1037 1 58 PHE HB3 1 59 LYS QB . . 5.090 4.145 3.677 4.639 . 0 0 "[ . 1 . ]" 1
1038 1 58 PHE HB3 1 73 LEU QD . . 4.490 3.519 2.960 3.984 . 0 0 "[ . 1 . ]" 1
1039 1 58 PHE HB3 1 76 VAL QG . . 5.410 4.061 3.623 4.957 . 0 0 "[ . 1 . ]" 1
1040 1 58 PHE QD 1 59 LYS H . . 4.600 3.612 2.889 4.127 . 0 0 "[ . 1 . ]" 1
1041 1 58 PHE QD 1 59 LYS HA . . 5.340 4.102 2.947 4.695 . 0 0 "[ . 1 . ]" 1
1042 1 58 PHE QD 1 63 LEU QD . . 3.860 3.268 2.684 3.738 . 0 0 "[ . 1 . ]" 1
1043 1 58 PHE QD 1 73 LEU HB2 . . 3.970 3.840 3.243 4.058 0.088 16 0 "[ . 1 . ]" 1
1044 1 58 PHE QD 1 73 LEU QD . . 3.390 2.688 2.383 2.990 . 0 0 "[ . 1 . ]" 1
1045 1 58 PHE QE 1 63 LEU QD . . 4.410 2.589 2.104 3.177 . 0 0 "[ . 1 . ]" 1
1046 1 58 PHE QE 1 69 LYS HB3 . . 4.550 4.403 3.708 4.646 0.096 11 0 "[ . 1 . ]" 1
1047 1 58 PHE QE 1 73 LEU H . . 3.730 3.320 2.848 3.711 . 0 0 "[ . 1 . ]" 1
1048 1 58 PHE QE 1 73 LEU HB2 . . 3.880 2.707 2.236 3.056 . 0 0 "[ . 1 . ]" 1
1049 1 58 PHE QE 1 73 LEU HB3 . . 4.440 4.178 3.729 4.471 0.031 19 0 "[ . 1 . ]" 1
1050 1 58 PHE QE 1 73 LEU QD . . 3.360 3.033 2.698 3.264 . 0 0 "[ . 1 . ]" 1
1051 1 58 PHE QE 1 74 CYS H . . 5.500 5.455 5.092 5.585 0.085 5 0 "[ . 1 . ]" 1
1052 1 58 PHE HZ 1 63 LEU QD . . 3.640 2.950 2.274 3.451 . 0 0 "[ . 1 . ]" 1
1053 1 58 PHE HZ 1 69 LYS HA . . 4.950 4.656 3.931 5.025 0.075 11 0 "[ . 1 . ]" 1
1054 1 58 PHE HZ 1 69 LYS HB3 . . 3.930 3.529 2.636 3.958 0.028 1 0 "[ . 1 . ]" 1
1055 1 58 PHE HZ 1 73 LEU H . . 5.500 4.762 3.848 5.334 . 0 0 "[ . 1 . ]" 1
1056 1 58 PHE HZ 1 73 LEU HB3 . . 5.500 4.856 3.871 5.581 0.081 14 0 "[ . 1 . ]" 1
1057 1 58 PHE HZ 1 73 LEU QD . . 4.900 3.601 3.218 4.145 . 0 0 "[ . 1 . ]" 1
1058 1 59 LYS H 1 59 LYS QB . . 3.300 2.226 2.064 2.341 . 0 0 "[ . 1 . ]" 1
1059 1 59 LYS H 1 59 LYS HB3 . . 3.070 2.851 2.390 3.611 0.541 16 1 "[ . 1 .+ ]" 1
1060 1 59 LYS H 1 59 LYS HD3 . . 5.500 5.300 4.295 6.072 0.572 12 2 "[ - 1 + . ]" 1
1061 1 59 LYS H 1 59 LYS QE . . 4.990 4.784 3.946 5.083 0.093 4 0 "[ . 1 . ]" 1
1062 1 59 LYS H 1 59 LYS HG2 . . 4.910 4.184 3.165 4.722 . 0 0 "[ . 1 . ]" 1
1063 1 59 LYS H 1 59 LYS HG3 . . 4.850 4.166 2.882 4.552 . 0 0 "[ . 1 . ]" 1
1064 1 59 LYS H 1 60 ASP H . . 3.620 2.650 2.310 2.917 . 0 0 "[ . 1 . ]" 1
1065 1 59 LYS H 1 60 ASP HB2 . . 4.900 4.761 4.461 5.149 0.249 12 0 "[ . 1 . ]" 1
1066 1 59 LYS H 1 61 SER H . . 5.500 4.697 3.915 5.097 . 0 0 "[ . 1 . ]" 1
1067 1 59 LYS H 1 63 LEU QD . . 5.500 5.115 4.690 5.348 . 0 0 "[ . 1 . ]" 1
1068 1 59 LYS HA 1 59 LYS HD2 . . 4.920 4.033 2.450 4.729 . 0 0 "[ . 1 . ]" 1
1069 1 59 LYS HA 1 59 LYS HD3 . . 5.020 3.732 2.229 4.859 . 0 0 "[ . 1 . ]" 1
1070 1 59 LYS HA 1 59 LYS HG2 . . 3.710 3.185 2.177 3.918 0.208 10 0 "[ . 1 . ]" 1
1071 1 59 LYS HA 1 59 LYS HG3 . . 3.860 2.987 2.383 3.630 . 0 0 "[ . 1 . ]" 1
1072 1 59 LYS HA 1 60 ASP HA . . 5.440 4.734 4.634 4.812 . 0 0 "[ . 1 . ]" 1
1073 1 59 LYS HA 1 61 SER H . . 5.300 3.602 3.235 3.925 . 0 0 "[ . 1 . ]" 1
1074 1 59 LYS HA 1 63 LEU QD . . 4.250 3.703 3.132 4.072 . 0 0 "[ . 1 . ]" 1
1075 1 59 LYS QB 1 59 LYS QE . . 4.250 2.762 2.140 3.662 . 0 0 "[ . 1 . ]" 1
1076 1 59 LYS QB 1 60 ASP HB2 . . 5.070 4.310 3.530 5.114 0.044 11 0 "[ . 1 . ]" 1
1077 1 59 LYS HB3 1 60 ASP H . . 3.580 3.079 2.604 3.555 . 0 0 "[ . 1 . ]" 1
1078 1 59 LYS QE 1 59 LYS HG2 . . 3.680 2.907 2.186 3.578 . 0 0 "[ . 1 . ]" 1
1079 1 59 LYS QE 1 59 LYS HG3 . . 2.950 2.960 2.153 3.581 0.631 10 5 "[ * . - + *. *]" 1
1080 1 59 LYS HG2 1 60 ASP H . . 5.120 4.725 3.981 5.322 0.202 19 0 "[ . 1 . ]" 1
1081 1 59 LYS HG3 1 60 ASP H . . 5.250 4.600 3.527 5.189 . 0 0 "[ . 1 . ]" 1
1082 1 60 ASP H 1 60 ASP HB2 . . 3.260 2.372 2.243 2.658 . 0 0 "[ . 1 . ]" 1
1083 1 60 ASP H 1 60 ASP HB3 . . 3.510 2.969 2.394 3.567 0.057 3 0 "[ . 1 . ]" 1
1084 1 60 ASP H 1 61 SER H . . 3.420 3.242 2.682 3.495 0.075 19 0 "[ . 1 . ]" 1
1085 1 60 ASP HA 1 61 SER H . . 3.350 2.916 2.527 3.380 0.030 18 0 "[ . 1 . ]" 1
1086 1 60 ASP HB2 1 61 SER H . . 4.770 4.456 3.796 4.713 . 0 0 "[ . 1 . ]" 1
1087 1 60 ASP HB3 1 61 SER H . . 5.090 4.269 3.661 4.515 . 0 0 "[ . 1 . ]" 1
1088 1 61 SER H 1 61 SER HB2 . . 3.200 2.896 2.408 3.700 0.500 16 0 "[ . 1 . ]" 1
1089 1 61 SER H 1 61 SER HB3 . . 3.950 3.716 2.765 4.028 0.078 17 0 "[ . 1 . ]" 1
1090 1 61 SER H 1 62 ASP H . . 4.790 4.409 4.255 4.609 . 0 0 "[ . 1 . ]" 1
1091 1 61 SER H 1 63 LEU QD . . 5.500 4.222 3.119 4.791 . 0 0 "[ . 1 . ]" 1
1092 1 61 SER H 1 63 LEU HG . . 5.500 4.649 3.856 5.570 0.070 18 0 "[ . 1 . ]" 1
1093 1 61 SER HA 1 62 ASP H . . 3.080 2.513 2.108 2.736 . 0 0 "[ . 1 . ]" 1
1094 1 61 SER HA 1 62 ASP HB2 . . 5.390 4.506 3.988 5.425 0.035 18 0 "[ . 1 . ]" 1
1095 1 61 SER HA 1 62 ASP HB3 . . 5.400 4.803 4.145 5.471 0.071 13 0 "[ . 1 . ]" 1
1096 1 61 SER HA 1 72 PHE HZ . . 5.110 4.519 4.083 4.930 . 0 0 "[ . 1 . ]" 1
1097 1 61 SER HB2 1 62 ASP H . . 3.700 3.445 2.199 3.783 0.083 15 0 "[ . 1 . ]" 1
1098 1 61 SER HB2 1 63 LEU QD . . 4.390 3.149 1.962 4.183 . 0 0 "[ . 1 . ]" 1
1099 1 61 SER HB2 1 72 PHE QE . . 3.970 3.058 2.164 3.526 . 0 0 "[ . 1 . ]" 1
1100 1 61 SER HB2 1 72 PHE HZ . . 4.020 3.328 2.385 4.076 0.056 13 0 "[ . 1 . ]" 1
1101 1 61 SER HB3 1 62 ASP H . . 3.530 2.451 1.939 3.657 0.127 16 0 "[ . 1 . ]" 1
1102 1 61 SER HB3 1 63 LEU QD . . 4.100 3.430 2.352 4.149 0.049 16 0 "[ . 1 . ]" 1
1103 1 61 SER HB3 1 63 LEU HG . . 5.000 4.009 3.072 5.030 0.030 18 0 "[ . 1 . ]" 1
1104 1 61 SER HB3 1 72 PHE QE . . 4.180 3.129 2.736 3.688 . 0 0 "[ . 1 . ]" 1
1105 1 61 SER HB3 1 72 PHE HZ . . 3.580 2.454 2.069 3.977 0.397 16 0 "[ . 1 . ]" 1
1106 1 62 ASP H 1 62 ASP HB2 . . 3.440 2.975 2.281 3.377 . 0 0 "[ . 1 . ]" 1
1107 1 62 ASP H 1 62 ASP HB3 . . 3.320 2.835 2.402 3.532 0.212 18 0 "[ . 1 . ]" 1
1108 1 62 ASP H 1 63 LEU H . . 3.990 3.906 3.369 4.083 0.093 6 0 "[ . 1 . ]" 1
1109 1 62 ASP H 1 63 LEU QD . . 5.450 4.080 2.733 4.729 . 0 0 "[ . 1 . ]" 1
1110 1 62 ASP H 1 63 LEU HG . . 5.500 4.322 3.839 5.590 0.090 18 0 "[ . 1 . ]" 1
1111 1 62 ASP H 1 64 SER H . . 5.500 5.269 4.823 5.556 0.056 5 0 "[ . 1 . ]" 1
1112 1 62 ASP HA 1 63 LEU H . . 2.810 2.176 1.966 2.661 . 0 0 "[ . 1 . ]" 1
1113 1 62 ASP HA 1 63 LEU HB2 . . 5.430 4.560 4.261 5.129 . 0 0 "[ . 1 . ]" 1
1114 1 62 ASP HA 1 63 LEU HG . . 5.500 4.047 3.444 5.578 0.078 18 0 "[ . 1 . ]" 1
1115 1 62 ASP HA 1 64 SER H . . 4.120 3.662 3.271 4.133 0.013 19 0 "[ . 1 . ]" 1
1116 1 62 ASP HB2 1 63 LEU H . . 4.510 4.370 4.136 4.597 0.087 17 0 "[ . 1 . ]" 1
1117 1 62 ASP HB2 1 64 SER H . . 5.500 4.710 3.684 5.278 . 0 0 "[ . 1 . ]" 1
1118 1 62 ASP HB3 1 63 LEU H . . 4.820 4.328 3.981 4.492 . 0 0 "[ . 1 . ]" 1
1119 1 62 ASP HB3 1 64 SER H . . 5.220 4.267 3.446 4.853 . 0 0 "[ . 1 . ]" 1
1120 1 63 LEU H 1 63 LEU HB2 . . 3.310 2.463 2.208 2.712 . 0 0 "[ . 1 . ]" 1
1121 1 63 LEU H 1 63 LEU HB3 . . 3.930 3.618 3.380 3.763 . 0 0 "[ . 1 . ]" 1
1122 1 63 LEU H 1 63 LEU QD . . 4.010 3.092 1.617 3.399 . 0 0 "[ . 1 . ]" 1
1123 1 63 LEU H 1 63 LEU HG . . 3.240 2.546 2.101 3.342 0.102 18 0 "[ . 1 . ]" 1
1124 1 63 LEU H 1 66 VAL QG . . 5.500 4.444 4.184 4.808 . 0 0 "[ . 1 . ]" 1
1125 1 63 LEU HA 1 63 LEU QD . . 3.050 2.211 2.021 2.712 . 0 0 "[ . 1 . ]" 1
1126 1 63 LEU HA 1 63 LEU HG . . 4.170 3.037 2.699 3.624 . 0 0 "[ . 1 . ]" 1
1127 1 63 LEU HA 1 66 VAL H . . 4.350 3.798 3.186 4.416 0.066 4 0 "[ . 1 . ]" 1
1128 1 63 LEU HA 1 66 VAL HB . . 3.270 3.007 2.486 3.356 0.086 4 0 "[ . 1 . ]" 1
1129 1 63 LEU HA 1 66 VAL QG . . 2.970 2.292 2.002 2.597 . 0 0 "[ . 1 . ]" 1
1130 1 63 LEU HB2 1 63 LEU QD . . 3.230 2.247 2.148 2.315 . 0 0 "[ . 1 . ]" 1
1131 1 63 LEU HB2 1 64 SER H . . 4.250 3.857 3.432 4.326 0.076 15 0 "[ . 1 . ]" 1
1132 1 63 LEU HB3 1 64 SER HA . . 5.500 4.983 4.381 5.346 . 0 0 "[ . 1 . ]" 1
1133 1 63 LEU HB3 1 66 VAL H . . 5.220 4.591 3.749 5.106 . 0 0 "[ . 1 . ]" 1
1134 1 63 LEU HB3 1 66 VAL HB . . 4.110 3.724 3.130 4.200 0.090 14 0 "[ . 1 . ]" 1
1135 1 63 LEU HB3 1 69 LYS HD2 . . 4.360 3.264 2.208 4.446 0.086 8 0 "[ . 1 . ]" 1
1136 1 63 LEU QD 1 64 SER H . . 5.500 4.434 3.870 4.659 . 0 0 "[ . 1 . ]" 1
1137 1 63 LEU QD 1 66 VAL H . . 5.500 4.708 4.292 5.242 . 0 0 "[ . 1 . ]" 1
1138 1 63 LEU QD 1 66 VAL HB . . 3.880 3.268 2.736 3.899 0.019 18 0 "[ . 1 . ]" 1
1139 1 63 LEU QD 1 66 VAL QG . . 3.720 2.209 2.000 2.914 . 0 0 "[ . 1 . ]" 1
1140 1 63 LEU QD 1 69 LYS HD2 . . 5.250 2.953 2.077 3.875 . 0 0 "[ . 1 . ]" 1
1141 1 63 LEU QD 1 69 LYS HD3 . . 5.120 3.789 2.442 4.785 . 0 0 "[ . 1 . ]" 1
1142 1 63 LEU QD 1 69 LYS QE . . 5.020 3.585 2.738 4.584 . 0 0 "[ . 1 . ]" 1
1143 1 63 LEU QD 1 72 PHE H . . 5.500 5.149 4.651 5.468 . 0 0 "[ . 1 . ]" 1
1144 1 63 LEU QD 1 72 PHE QB . . 5.500 3.028 2.645 3.443 . 0 0 "[ . 1 . ]" 1
1145 1 63 LEU QD 1 72 PHE QD . . 3.310 2.853 2.339 3.278 . 0 0 "[ . 1 . ]" 1
1146 1 63 LEU QD 1 72 PHE QE . . 3.600 2.883 2.274 3.517 . 0 0 "[ . 1 . ]" 1
1147 1 63 LEU QD 1 72 PHE HZ . . 4.250 3.513 2.951 4.247 . 0 0 "[ . 1 . ]" 1
1148 1 64 SER H 1 64 SER HB2 . . 3.290 2.494 2.153 3.473 0.183 15 0 "[ . 1 . ]" 1
1149 1 64 SER H 1 64 SER HB3 . . 3.570 3.084 2.312 3.590 0.020 4 0 "[ . 1 . ]" 1
1150 1 64 SER H 1 66 VAL H . . 4.820 4.363 3.614 4.880 0.060 10 0 "[ . 1 . ]" 1
1151 1 64 SER H 1 66 VAL HB . . 5.470 5.160 4.230 5.548 0.078 14 0 "[ . 1 . ]" 1
1152 1 64 SER H 1 66 VAL QG . . 5.500 4.090 3.322 4.515 . 0 0 "[ . 1 . ]" 1
1153 1 64 SER HB3 1 65 HIS HE1 . . 5.500 4.639 2.980 5.560 0.060 9 0 "[ . 1 . ]" 1
1154 1 65 HIS H 1 65 HIS HB2 . . 3.740 2.734 2.248 3.712 . 0 0 "[ . 1 . ]" 1
1155 1 65 HIS H 1 65 HIS HB3 . . 4.150 3.731 3.538 3.947 . 0 0 "[ . 1 . ]" 1
1156 1 65 HIS H 1 66 VAL H . . 3.310 2.778 2.275 3.387 0.077 13 0 "[ . 1 . ]" 1
1157 1 65 HIS H 1 66 VAL QG . . 5.000 3.512 2.552 4.735 . 0 0 "[ . 1 . ]" 1
1158 1 65 HIS HA 1 65 HIS HD2 . . 3.120 2.674 2.180 3.181 0.061 18 0 "[ . 1 . ]" 1
1159 1 65 HIS HA 1 66 VAL HB . . 5.400 5.365 5.075 5.485 0.085 9 0 "[ . 1 . ]" 1
1160 1 65 HIS HA 1 66 VAL QG . . 5.070 4.436 3.725 4.808 . 0 0 "[ . 1 . ]" 1
1161 1 65 HIS HB2 1 66 VAL H . . 4.680 4.128 3.718 4.478 . 0 0 "[ . 1 . ]" 1
1162 1 65 HIS HB2 1 66 VAL QG . . 5.490 4.400 3.531 5.277 . 0 0 "[ . 1 . ]" 1
1163 1 65 HIS HB3 1 65 HIS HD2 . . 3.920 3.057 2.646 3.609 . 0 0 "[ . 1 . ]" 1
1164 1 65 HIS HB3 1 66 VAL H . . 5.080 4.482 4.223 4.555 . 0 0 "[ . 1 . ]" 1
1165 1 66 VAL H 1 66 VAL HB . . 3.090 2.614 2.168 3.155 0.065 4 0 "[ . 1 . ]" 1
1166 1 66 VAL H 1 66 VAL QG . . 3.560 2.422 1.868 2.974 . 0 0 "[ . 1 . ]" 1
1167 1 66 VAL H 1 67 GLN H . . 5.500 4.356 3.959 4.640 . 0 0 "[ . 1 . ]" 1
1168 1 66 VAL HA 1 67 GLN H . . 3.260 2.205 2.044 2.448 . 0 0 "[ . 1 . ]" 1
1169 1 66 VAL HA 1 68 ASN H . . 5.190 4.287 3.532 5.240 0.050 16 0 "[ . 1 . ]" 1
1170 1 66 VAL HB 1 67 GLN H . . 5.420 4.264 3.831 4.535 . 0 0 "[ . 1 . ]" 1
1171 1 66 VAL HB 1 72 PHE QD . . 5.500 3.879 2.277 4.944 . 0 0 "[ . 1 . ]" 1
1172 1 66 VAL QG 1 67 GLN H . . 4.330 2.716 1.988 3.282 . 0 0 "[ . 1 . ]" 1
1173 1 66 VAL QG 1 67 GLN HA . . 4.290 3.977 3.261 4.263 . 0 0 "[ . 1 . ]" 1
1174 1 66 VAL QG 1 67 GLN HG2 . . 5.500 5.115 4.287 5.622 0.122 8 0 "[ . 1 . ]" 1
1175 1 66 VAL QG 1 68 ASN H . . 4.430 2.717 1.992 3.600 . 0 0 "[ . 1 . ]" 1
1176 1 66 VAL QG 1 68 ASN HA . . 5.500 4.049 3.524 4.337 . 0 0 "[ . 1 . ]" 1
1177 1 66 VAL QG 1 69 LYS H . . 4.990 3.558 3.003 4.058 . 0 0 "[ . 1 . ]" 1
1178 1 66 VAL QG 1 69 LYS HA . . 3.550 2.596 2.131 3.049 . 0 0 "[ . 1 . ]" 1
1179 1 66 VAL QG 1 69 LYS HD2 . . 4.670 3.139 2.334 3.960 . 0 0 "[ . 1 . ]" 1
1180 1 66 VAL QG 1 69 LYS HD3 . . 4.090 2.487 1.902 4.100 0.010 8 0 "[ . 1 . ]" 1
1181 1 66 VAL QG 1 72 PHE H . . 4.420 3.637 3.255 4.130 . 0 0 "[ . 1 . ]" 1
1182 1 66 VAL QG 1 72 PHE HA . . 5.070 4.036 3.220 4.513 . 0 0 "[ . 1 . ]" 1
1183 1 66 VAL QG 1 72 PHE QB . . 3.120 2.129 1.908 2.572 . 0 0 "[ . 1 . ]" 1
1184 1 66 VAL QG 1 72 PHE QD . . 3.100 2.211 1.989 2.740 . 0 0 "[ . 1 . ]" 1
1185 1 66 VAL QG 1 72 PHE QE . . 3.860 3.131 2.506 3.591 . 0 0 "[ . 1 . ]" 1
1186 1 66 VAL QG 1 72 PHE HZ . . 5.490 4.494 3.822 5.064 . 0 0 "[ . 1 . ]" 1
1187 1 67 GLN H 1 67 GLN HG2 . . 4.980 3.779 2.112 4.493 . 0 0 "[ . 1 . ]" 1
1188 1 67 GLN H 1 67 GLN HG3 . . 5.060 3.437 2.036 4.651 . 0 0 "[ . 1 . ]" 1
1189 1 67 GLN H 1 68 ASN H . . 4.540 2.775 2.376 3.338 . 0 0 "[ . 1 . ]" 1
1190 1 67 GLN HA 1 67 GLN QE . . 5.500 4.428 2.506 5.098 . 0 0 "[ . 1 . ]" 1
1191 1 67 GLN QB 1 68 ASN QD . . 5.500 4.217 2.609 5.358 . 0 0 "[ . 1 . ]" 1
1192 1 67 GLN QE 1 68 ASN H . . 4.820 3.637 2.288 4.439 . 0 0 "[ . 1 . ]" 1
1193 1 67 GLN QE 1 68 ASN QD . . 5.390 3.456 2.035 5.009 . 0 0 "[ . 1 . ]" 1
1194 1 68 ASN HA 1 69 LYS H . . 3.030 2.238 2.088 2.654 . 0 0 "[ . 1 . ]" 1
1195 1 68 ASN HA 1 69 LYS HB2 . . 4.770 4.635 4.367 4.846 0.076 19 0 "[ . 1 . ]" 1
1196 1 68 ASN HA 1 70 SER H . . 4.330 3.580 3.254 4.136 . 0 0 "[ . 1 . ]" 1
1197 1 68 ASN HA 1 71 ALA MB . . 5.500 4.559 4.005 5.000 . 0 0 "[ . 1 . ]" 1
1198 1 68 ASN HB2 1 69 LYS H . . 5.500 4.204 3.718 4.606 . 0 0 "[ . 1 . ]" 1
1199 1 68 ASN HB2 1 71 ALA H . . 4.620 3.140 2.156 4.896 0.276 14 0 "[ . 1 . ]" 1
1200 1 68 ASN HB2 1 71 ALA MB . . 3.560 2.729 2.075 4.218 0.658 14 1 "[ . 1 +. ]" 1
1201 1 68 ASN HB3 1 69 LYS H . . 5.030 4.066 3.079 4.622 . 0 0 "[ . 1 . ]" 1
1202 1 68 ASN HB3 1 71 ALA H . . 4.850 3.549 1.897 4.908 0.058 8 0 "[ . 1 . ]" 1
1203 1 68 ASN HB3 1 71 ALA MB . . 4.160 3.337 2.121 4.260 0.100 9 0 "[ . 1 . ]" 1
1204 1 68 ASN QD 1 71 ALA H . . 5.310 3.978 3.450 4.385 . 0 0 "[ . 1 . ]" 1
1205 1 68 ASN QD 1 71 ALA HA . . 5.500 5.116 4.462 5.373 . 0 0 "[ . 1 . ]" 1
1206 1 68 ASN QD 1 71 ALA MB . . 4.280 2.570 1.762 3.378 . 0 0 "[ . 1 . ]" 1
1207 1 69 LYS H 1 69 LYS HB2 . . 3.410 2.599 2.402 2.836 . 0 0 "[ . 1 . ]" 1
1208 1 69 LYS H 1 69 LYS HD2 . . 4.450 4.028 2.517 4.487 0.037 4 0 "[ . 1 . ]" 1
1209 1 69 LYS H 1 69 LYS HD3 . . 4.440 3.057 2.088 3.643 . 0 0 "[ . 1 . ]" 1
1210 1 69 LYS H 1 70 SER H . . 3.450 2.726 2.448 2.929 . 0 0 "[ . 1 . ]" 1
1211 1 69 LYS H 1 71 ALA H . . 5.180 4.568 4.207 4.896 . 0 0 "[ . 1 . ]" 1
1212 1 69 LYS HA 1 69 LYS HD2 . . 4.170 2.683 2.296 3.161 . 0 0 "[ . 1 . ]" 1
1213 1 69 LYS HA 1 69 LYS HD3 . . 3.890 2.522 2.185 3.684 . 0 0 "[ . 1 . ]" 1
1214 1 69 LYS HA 1 72 PHE H . . 3.930 3.607 3.165 3.777 . 0 0 "[ . 1 . ]" 1
1215 1 69 LYS HA 1 72 PHE QB . . 3.440 2.880 2.620 3.184 . 0 0 "[ . 1 . ]" 1
1216 1 69 LYS HB2 1 70 SER H . . 3.640 2.790 2.515 3.041 . 0 0 "[ . 1 . ]" 1
1217 1 69 LYS HB2 1 70 SER HA . . 5.500 4.274 3.899 4.514 . 0 0 "[ . 1 . ]" 1
1218 1 69 LYS HB2 1 71 ALA H . . 5.500 5.366 4.982 5.572 0.072 6 0 "[ . 1 . ]" 1
1219 1 69 LYS HB3 1 69 LYS HD2 . . 3.700 2.577 2.321 3.778 0.078 8 0 "[ . 1 . ]" 1
1220 1 69 LYS HB3 1 69 LYS HD3 . . 3.600 3.387 3.135 3.671 0.071 8 0 "[ . 1 . ]" 1
1221 1 69 LYS HD2 1 70 SER H . . 5.490 5.512 5.086 5.575 0.085 10 0 "[ . 1 . ]" 1
1222 1 69 LYS HD3 1 70 SER H . . 5.290 5.126 4.630 5.361 0.071 1 0 "[ . 1 . ]" 1
1223 1 70 SER H 1 70 SER QB . . 3.080 2.699 2.081 3.013 . 0 0 "[ . 1 . ]" 1
1224 1 70 SER H 1 71 ALA H . . 3.220 2.718 2.512 2.900 . 0 0 "[ . 1 . ]" 1
1225 1 70 SER H 1 71 ALA MB . . 4.780 4.368 4.099 4.590 . 0 0 "[ . 1 . ]" 1
1226 1 70 SER H 1 72 PHE H . . 3.870 3.955 3.946 3.965 0.095 9 0 "[ . 1 . ]" 1
1227 1 70 SER HA 1 70 SER QB . . 2.450 2.186 2.109 2.306 . 0 0 "[ . 1 . ]" 1
1228 1 70 SER HA 1 72 PHE H . . 5.500 4.261 3.837 4.565 . 0 0 "[ . 1 . ]" 1
1229 1 70 SER HA 1 73 LEU QD . . 5.500 3.531 3.068 3.886 . 0 0 "[ . 1 . ]" 1
1230 1 70 SER QB 1 71 ALA H . . 3.080 2.816 2.233 3.173 0.093 18 0 "[ . 1 . ]" 1
1231 1 70 SER QB 1 73 LEU HB3 . . 4.500 4.483 3.992 4.589 0.089 16 0 "[ . 1 . ]" 1
1232 1 70 SER QB 1 73 LEU QD . . 4.670 4.407 3.937 4.676 0.006 4 0 "[ . 1 . ]" 1
1233 1 70 SER QB 1 74 CYS H . . 4.920 4.617 4.210 4.965 0.045 18 0 "[ . 1 . ]" 1
1234 1 70 SER QB 1 74 CYS HB2 . . 4.810 4.354 3.586 4.912 0.102 2 0 "[ . 1 . ]" 1
1235 1 71 ALA H 1 71 ALA MB . . 2.870 2.232 2.155 2.308 . 0 0 "[ . 1 . ]" 1
1236 1 71 ALA HA 1 72 PHE H . . 3.560 3.510 3.326 3.591 0.031 14 0 "[ . 1 . ]" 1
1237 1 71 ALA HA 1 73 LEU H . . 4.410 4.483 4.458 4.496 0.086 16 0 "[ . 1 . ]" 1
1238 1 71 ALA HA 1 74 CYS H . . 4.310 3.625 3.214 4.076 . 0 0 "[ . 1 . ]" 1
1239 1 71 ALA HA 1 74 CYS HB2 . . 4.250 3.388 2.289 4.342 0.092 7 0 "[ . 1 . ]" 1
1240 1 71 ALA HA 1 74 CYS HB3 . . 3.550 3.010 2.350 3.616 0.066 14 0 "[ . 1 . ]" 1
1241 1 71 ALA MB 1 72 PHE H . . 3.810 2.812 2.511 3.233 . 0 0 "[ . 1 . ]" 1
1242 1 71 ALA MB 1 72 PHE HA . . 5.240 3.974 3.829 4.236 . 0 0 "[ . 1 . ]" 1
1243 1 71 ALA MB 1 74 CYS HB3 . . 5.300 4.428 3.711 5.058 . 0 0 "[ . 1 . ]" 1
1244 1 71 ALA MB 1 75 GLY H . . 5.500 4.732 4.409 5.294 . 0 0 "[ . 1 . ]" 1
1245 1 72 PHE H 1 72 PHE QB . . 2.970 2.254 2.171 2.463 . 0 0 "[ . 1 . ]" 1
1246 1 72 PHE H 1 72 PHE QD . . 4.600 4.244 4.155 4.374 . 0 0 "[ . 1 . ]" 1
1247 1 72 PHE H 1 73 LEU H . . 3.580 2.573 2.151 2.788 . 0 0 "[ . 1 . ]" 1
1248 1 72 PHE H 1 73 LEU HB2 . . 5.080 4.911 4.277 5.128 0.048 10 0 "[ . 1 . ]" 1
1249 1 72 PHE H 1 73 LEU HB3 . . 5.180 4.628 4.054 4.973 . 0 0 "[ . 1 . ]" 1
1250 1 72 PHE H 1 74 CYS H . . 4.510 4.130 3.788 4.402 . 0 0 "[ . 1 . ]" 1
1251 1 72 PHE H 1 75 GLY H . . 4.630 4.673 4.502 4.721 0.091 2 0 "[ . 1 . ]" 1
1252 1 72 PHE HA 1 72 PHE QD . . 3.330 3.100 2.302 3.246 . 0 0 "[ . 1 . ]" 1
1253 1 72 PHE HA 1 75 GLY H . . 4.160 3.645 3.320 3.995 . 0 0 "[ . 1 . ]" 1
1254 1 72 PHE QB 1 73 LEU H . . 3.510 2.409 2.306 2.533 . 0 0 "[ . 1 . ]" 1
1255 1 72 PHE QE 1 76 VAL QG . . 3.470 2.765 2.481 3.496 0.026 6 0 "[ . 1 . ]" 1
1256 1 72 PHE HZ 1 76 VAL QG . . 4.540 4.295 3.853 4.546 0.006 1 0 "[ . 1 . ]" 1
1257 1 73 LEU H 1 73 LEU HB2 . . 3.310 2.501 2.315 2.669 . 0 0 "[ . 1 . ]" 1
1258 1 73 LEU H 1 73 LEU HB3 . . 3.440 2.425 2.173 2.633 . 0 0 "[ . 1 . ]" 1
1259 1 73 LEU H 1 73 LEU QD . . 4.390 3.682 3.560 3.769 . 0 0 "[ . 1 . ]" 1
1260 1 73 LEU H 1 73 LEU HG . . 4.520 4.500 4.402 4.584 0.064 16 0 "[ . 1 . ]" 1
1261 1 73 LEU H 1 74 CYS H . . 3.780 2.643 2.461 2.807 . 0 0 "[ . 1 . ]" 1
1262 1 73 LEU H 1 75 GLY H . . 5.260 3.948 3.771 4.161 . 0 0 "[ . 1 . ]" 1
1263 1 73 LEU HA 1 73 LEU QD . . 3.150 2.194 2.099 2.372 . 0 0 "[ . 1 . ]" 1
1264 1 73 LEU HA 1 73 LEU HG . . 3.870 3.263 2.833 3.814 . 0 0 "[ . 1 . ]" 1
1265 1 73 LEU HA 1 76 VAL H . . 3.840 3.524 3.348 3.686 . 0 0 "[ . 1 . ]" 1
1266 1 73 LEU HA 1 76 VAL HB . . 3.510 3.237 2.919 3.559 0.049 14 0 "[ . 1 . ]" 1
1267 1 73 LEU HA 1 76 VAL QG . . 3.640 3.046 2.343 3.487 . 0 0 "[ . 1 . ]" 1
1268 1 73 LEU HB2 1 74 CYS H . . 3.600 3.672 3.647 3.684 0.084 8 0 "[ . 1 . ]" 1
1269 1 73 LEU HB3 1 74 CYS H . . 4.270 2.327 2.222 2.468 . 0 0 "[ . 1 . ]" 1
1270 1 73 LEU QD 1 74 CYS H . . 5.330 3.320 2.470 3.924 . 0 0 "[ . 1 . ]" 1
1271 1 73 LEU QD 1 75 GLY H . . 5.500 4.814 4.186 5.207 . 0 0 "[ . 1 . ]" 1
1272 1 73 LEU QD 1 76 VAL H . . 5.500 4.436 3.932 4.953 . 0 0 "[ . 1 . ]" 1
1273 1 73 LEU QD 1 76 VAL HB . . 4.000 3.286 2.870 3.864 . 0 0 "[ . 1 . ]" 1
1274 1 73 LEU QD 1 76 VAL QG . . 5.010 3.389 3.021 3.713 . 0 0 "[ . 1 . ]" 1
1275 1 73 LEU QD 1 77 MET H . . 4.710 3.916 3.224 4.553 . 0 0 "[ . 1 . ]" 1
1276 1 73 LEU QD 1 77 MET ME . . 3.430 2.057 1.647 3.252 . 0 0 "[ . 1 . ]" 1
1277 1 73 LEU QD 1 77 MET HG3 . . 4.990 3.078 2.136 3.874 . 0 0 "[ . 1 . ]" 1
1278 1 73 LEU HG 1 74 CYS HA . . 5.130 4.350 3.587 5.214 0.084 9 0 "[ . 1 . ]" 1
1279 1 73 LEU HG 1 77 MET ME . . 3.050 2.545 2.042 3.177 0.127 9 0 "[ . 1 . ]" 1
1280 1 73 LEU HG 1 77 MET HG2 . . 5.500 4.792 3.816 5.576 0.076 8 0 "[ . 1 . ]" 1
1281 1 73 LEU HG 1 77 MET HG3 . . 5.090 3.812 2.473 5.056 . 0 0 "[ . 1 . ]" 1
1282 1 74 CYS H 1 74 CYS HB2 . . 3.650 2.382 2.085 3.517 . 0 0 "[ . 1 . ]" 1
1283 1 74 CYS H 1 74 CYS HB3 . . 3.430 2.840 2.122 3.492 0.062 6 0 "[ . 1 . ]" 1
1284 1 74 CYS H 1 75 GLY H . . 3.620 2.806 2.666 2.884 . 0 0 "[ . 1 . ]" 1
1285 1 74 CYS H 1 76 VAL H . . 4.920 4.527 4.342 4.735 . 0 0 "[ . 1 . ]" 1
1286 1 74 CYS H 1 77 MET H . . 5.130 4.898 4.708 5.187 0.057 6 0 "[ . 1 . ]" 1
1287 1 74 CYS H 1 77 MET ME . . 4.720 4.480 3.295 4.804 0.084 7 0 "[ . 1 . ]" 1
1288 1 74 CYS HA 1 76 VAL H . . 4.850 4.638 4.350 4.912 0.062 6 0 "[ . 1 . ]" 1
1289 1 74 CYS HA 1 77 MET H . . 4.370 3.452 3.116 3.984 . 0 0 "[ . 1 . ]" 1
1290 1 74 CYS HA 1 77 MET HB2 . . 4.080 2.744 2.158 3.141 . 0 0 "[ . 1 . ]" 1
1291 1 74 CYS HA 1 77 MET HB3 . . 4.590 4.258 3.731 4.651 0.061 5 0 "[ . 1 . ]" 1
1292 1 74 CYS HA 1 77 MET ME . . 3.550 3.393 2.354 3.654 0.104 19 0 "[ . 1 . ]" 1
1293 1 74 CYS HA 1 77 MET HG3 . . 4.730 2.986 2.226 4.556 . 0 0 "[ . 1 . ]" 1
1294 1 74 CYS HB2 1 75 GLY H . . 4.250 3.844 2.996 4.297 0.047 2 0 "[ . 1 . ]" 1
1295 1 74 CYS HB2 1 77 MET ME . . 5.470 4.795 3.813 5.241 . 0 0 "[ . 1 . ]" 1
1296 1 74 CYS HB3 1 75 GLY H . . 3.930 3.149 2.640 3.932 0.002 2 0 "[ . 1 . ]" 1
1297 1 75 GLY H 1 76 VAL H . . 3.530 2.746 2.567 2.923 . 0 0 "[ . 1 . ]" 1
1298 1 75 GLY H 1 76 VAL HB . . 5.390 4.945 4.506 5.204 . 0 0 "[ . 1 . ]" 1
1299 1 75 GLY H 1 76 VAL QG . . 4.910 4.093 3.727 4.366 . 0 0 "[ . 1 . ]" 1
1300 1 75 GLY H 1 78 LYS QB . . 5.100 4.892 4.501 5.191 0.091 5 0 "[ . 1 . ]" 1
1301 1 75 GLY QA 1 76 VAL H . . 3.470 2.667 2.569 2.796 . 0 0 "[ . 1 . ]" 1
1302 1 75 GLY HA2 1 78 LYS QB . . 3.410 2.762 2.296 2.990 . 0 0 "[ . 1 . ]" 1
1303 1 75 GLY HA3 1 78 LYS QB . . 4.310 4.227 3.826 4.400 0.090 16 0 "[ . 1 . ]" 1
1304 1 76 VAL H 1 76 VAL HB . . 3.130 2.590 2.291 2.791 . 0 0 "[ . 1 . ]" 1
1305 1 76 VAL H 1 76 VAL QG . . 3.110 2.066 1.926 2.264 . 0 0 "[ . 1 . ]" 1
1306 1 76 VAL HA 1 76 VAL QG . . 3.190 2.160 2.133 2.190 . 0 0 "[ . 1 . ]" 1
1307 1 76 VAL HA 1 79 THR H . . 4.260 3.591 3.308 3.866 . 0 0 "[ . 1 . ]" 1
1308 1 76 VAL HA 1 79 THR HB . . 4.510 3.929 2.910 4.590 0.080 4 0 "[ . 1 . ]" 1
1309 1 76 VAL HA 1 79 THR MG . . 4.550 3.358 2.090 4.628 0.078 3 0 "[ . 1 . ]" 1
1310 1 76 VAL HA 1 80 TYR H . . 4.920 4.206 3.915 4.628 . 0 0 "[ . 1 . ]" 1
1311 1 76 VAL HB 1 77 MET H . . 3.390 2.682 2.411 2.910 . 0 0 "[ . 1 . ]" 1
1312 1 76 VAL HB 1 80 TYR QE . . 4.850 4.913 4.724 4.947 0.097 16 0 "[ . 1 . ]" 1
1313 1 76 VAL QG 1 77 MET H . . 4.650 3.279 3.080 3.420 . 0 0 "[ . 1 . ]" 1
1314 1 76 VAL QG 1 77 MET HA . . 4.340 3.704 3.343 3.930 . 0 0 "[ . 1 . ]" 1
1315 1 76 VAL QG 1 80 TYR H . . 5.000 4.021 3.792 4.397 . 0 0 "[ . 1 . ]" 1
1316 1 76 VAL QG 1 80 TYR HB2 . . 4.600 4.033 3.632 4.620 0.020 17 0 "[ . 1 . ]" 1
1317 1 76 VAL QG 1 80 TYR QD . . 4.250 2.187 2.005 2.703 . 0 0 "[ . 1 . ]" 1
1318 1 76 VAL QG 1 80 TYR QE . . 4.350 2.266 2.157 2.430 . 0 0 "[ . 1 . ]" 1
1319 1 77 MET H 1 77 MET HB2 . . 3.560 2.588 2.354 2.802 . 0 0 "[ . 1 . ]" 1
1320 1 77 MET H 1 77 MET HB3 . . 3.930 3.638 3.592 3.686 . 0 0 "[ . 1 . ]" 1
1321 1 77 MET H 1 77 MET HG2 . . 4.190 3.185 2.316 3.943 . 0 0 "[ . 1 . ]" 1
1322 1 77 MET H 1 77 MET HG3 . . 3.630 2.412 1.994 2.745 . 0 0 "[ . 1 . ]" 1
1323 1 77 MET HA 1 77 MET HG2 . . 3.740 2.552 2.288 2.835 . 0 0 "[ . 1 . ]" 1
1324 1 77 MET HA 1 77 MET HG3 . . 3.860 3.191 2.257 3.730 . 0 0 "[ . 1 . ]" 1
1325 1 77 MET HA 1 80 TYR H . . 4.160 3.572 3.425 3.800 . 0 0 "[ . 1 . ]" 1
1326 1 77 MET HA 1 80 TYR HB2 . . 3.560 2.687 2.202 3.106 . 0 0 "[ . 1 . ]" 1
1327 1 77 MET HA 1 80 TYR QD . . 3.850 3.393 3.088 3.623 . 0 0 "[ . 1 . ]" 1
1328 1 77 MET HA 1 81 ARG H . . 4.770 4.142 3.948 4.457 . 0 0 "[ . 1 . ]" 1
1329 1 77 MET HB2 1 78 LYS H . . 3.730 2.623 2.373 2.921 . 0 0 "[ . 1 . ]" 1
1330 1 77 MET HB3 1 78 LYS H . . 4.190 3.604 3.295 3.942 . 0 0 "[ . 1 . ]" 1
1331 1 78 LYS H 1 78 LYS QB . . 2.900 2.195 2.055 2.339 . 0 0 "[ . 1 . ]" 1
1332 1 78 LYS H 1 78 LYS HG2 . . 4.610 4.299 3.668 4.630 0.020 14 0 "[ . 1 . ]" 1
1333 1 78 LYS H 1 78 LYS HG3 . . 4.400 4.091 2.855 4.472 0.072 2 0 "[ . 1 . ]" 1
1334 1 78 LYS H 1 79 THR H . . 3.820 2.835 2.643 3.093 . 0 0 "[ . 1 . ]" 1
1335 1 78 LYS H 1 80 TYR QD . . 5.500 5.561 5.328 5.599 0.099 11 0 "[ . 1 . ]" 1
1336 1 78 LYS HA 1 78 LYS HG2 . . 3.950 2.708 2.053 3.633 . 0 0 "[ . 1 . ]" 1
1337 1 78 LYS HA 1 78 LYS HG3 . . 4.130 2.739 2.196 3.573 . 0 0 "[ . 1 . ]" 1
1338 1 78 LYS QB 1 79 THR H . . 3.450 2.591 2.320 2.986 . 0 0 "[ . 1 . ]" 1
1339 1 78 LYS QB 1 79 THR MG . . 4.780 4.410 3.697 4.903 0.123 11 0 "[ . 1 . ]" 1
1340 1 78 LYS QB 1 80 TYR H . . 5.000 4.859 4.650 5.071 0.071 14 0 "[ . 1 . ]" 1
1341 1 79 THR H 1 79 THR HB . . 3.320 2.764 2.367 3.342 0.022 6 0 "[ . 1 . ]" 1
1342 1 79 THR H 1 79 THR MG . . 3.840 2.891 1.843 3.720 . 0 0 "[ . 1 . ]" 1
1343 1 79 THR H 1 80 TYR HB2 . . 5.250 4.816 4.539 5.009 . 0 0 "[ . 1 . ]" 1
1344 1 79 THR HA 1 79 THR MG . . 3.580 2.728 2.125 3.297 . 0 0 "[ . 1 . ]" 1
1345 1 79 THR HA 1 82 GLN HB2 . . 4.190 3.482 2.712 4.259 0.069 11 0 "[ . 1 . ]" 1
1346 1 79 THR HA 1 82 GLN HB3 . . 4.160 4.177 3.717 4.241 0.081 9 0 "[ . 1 . ]" 1
1347 1 79 THR HB 1 80 TYR H . . 4.640 3.365 2.332 4.310 . 0 0 "[ . 1 . ]" 1
1348 1 79 THR MG 1 80 TYR H . . 4.350 3.148 2.144 4.145 . 0 0 "[ . 1 . ]" 1
1349 1 79 THR MG 1 80 TYR HA . . 5.090 3.950 3.489 5.074 . 0 0 "[ . 1 . ]" 1
1350 1 79 THR MG 1 83 ARG QD . . 4.710 4.472 3.786 4.799 0.089 12 0 "[ . 1 . ]" 1
1351 1 80 TYR H 1 80 TYR HB2 . . 2.870 2.248 2.163 2.375 . 0 0 "[ . 1 . ]" 1
1352 1 80 TYR H 1 80 TYR QD . . 3.430 2.855 2.555 3.188 . 0 0 "[ . 1 . ]" 1
1353 1 80 TYR H 1 80 TYR QE . . 5.320 4.886 4.667 5.073 . 0 0 "[ . 1 . ]" 1
1354 1 80 TYR HA 1 80 TYR HB2 . . 2.980 2.997 2.958 3.027 0.047 17 0 "[ . 1 . ]" 1
1355 1 80 TYR HA 1 80 TYR QD . . 2.900 2.646 2.286 2.916 0.016 18 0 "[ . 1 . ]" 1
1356 1 80 TYR HA 1 83 ARG QB . . 4.610 3.581 2.668 4.481 . 0 0 "[ . 1 . ]" 1
1357 1 80 TYR HA 1 83 ARG QD . . 5.300 2.998 2.104 4.469 . 0 0 "[ . 1 . ]" 1
1358 1 80 TYR HA 1 83 ARG QG . . 4.710 3.273 2.127 4.797 0.087 5 0 "[ . 1 . ]" 1
1359 1 80 TYR HB2 1 81 ARG H . . 3.480 2.989 2.748 3.316 . 0 0 "[ . 1 . ]" 1
1360 1 80 TYR QD 1 81 ARG H . . 4.690 4.649 4.418 4.766 0.076 13 0 "[ . 1 . ]" 1
1361 1 80 TYR QE 1 83 ARG QD . . 5.250 4.315 3.508 5.335 0.085 17 0 "[ . 1 . ]" 1
1362 1 81 ARG H 1 81 ARG HB2 . . 3.140 2.503 2.136 3.659 0.519 1 3 "[+ . 1 .* -]" 1
1363 1 81 ARG H 1 81 ARG HB3 . . 3.580 3.003 2.539 3.606 0.026 13 0 "[ . 1 . ]" 1
1364 1 81 ARG H 1 81 ARG HG2 . . 4.270 3.792 2.022 4.538 0.268 11 0 "[ . 1 . ]" 1
1365 1 81 ARG H 1 82 GLN H . . 3.550 2.612 2.203 3.042 . 0 0 "[ . 1 . ]" 1
1366 1 81 ARG HA 1 81 ARG HG2 . . 3.440 2.564 2.087 3.732 0.292 19 0 "[ . 1 . ]" 1
1367 1 81 ARG HA 1 81 ARG HG3 . . 3.650 3.280 2.351 3.691 0.041 9 0 "[ . 1 . ]" 1
1368 1 81 ARG HA 1 82 GLN H . . 3.510 3.439 2.904 3.568 0.058 15 0 "[ . 1 . ]" 1
1369 1 81 ARG HB2 1 82 GLN H . . 4.620 3.912 2.808 4.440 . 0 0 "[ . 1 . ]" 1
1370 1 81 ARG HB3 1 82 GLN H . . 4.420 3.647 2.492 4.418 . 0 0 "[ . 1 . ]" 1
1371 1 82 GLN H 1 82 GLN HB2 . . 3.440 2.519 2.293 2.685 . 0 0 "[ . 1 . ]" 1
1372 1 82 GLN H 1 82 GLN HB3 . . 3.460 3.507 3.239 3.555 0.095 4 0 "[ . 1 . ]" 1
1373 1 82 GLN H 1 82 GLN HG2 . . 4.080 4.031 3.536 4.636 0.556 13 1 "[ . 1 + . ]" 1
1374 1 82 GLN H 1 83 ARG H . . 3.620 3.334 2.114 3.672 0.052 15 0 "[ . 1 . ]" 1
1375 1 82 GLN HA 1 82 GLN HG2 . . 3.560 2.476 2.209 2.903 . 0 0 "[ . 1 . ]" 1
1376 1 82 GLN HA 1 82 GLN HG3 . . 3.900 3.285 2.486 3.666 . 0 0 "[ . 1 . ]" 1
1377 1 82 GLN HA 1 83 ARG H . . 3.240 2.402 2.162 3.163 . 0 0 "[ . 1 . ]" 1
1378 1 82 GLN HB3 1 83 ARG H . . 4.200 4.254 4.108 4.293 0.093 16 0 "[ . 1 . ]" 1
1379 1 83 ARG H 1 83 ARG QB . . 3.370 2.789 2.338 3.173 . 0 0 "[ . 1 . ]" 1
1380 1 83 ARG H 1 83 ARG QD . . 5.180 4.493 3.847 4.998 . 0 0 "[ . 1 . ]" 1
1381 1 83 ARG H 1 83 ARG QG . . 3.660 2.894 2.030 3.756 0.096 5 0 "[ . 1 . ]" 1
1382 1 83 ARG H 1 84 GLU H . . 3.680 2.910 2.004 3.764 0.084 18 0 "[ . 1 . ]" 1
1383 1 83 ARG HA 1 83 ARG QD . . 4.820 4.040 3.289 4.342 . 0 0 "[ . 1 . ]" 1
1384 1 83 ARG HA 1 83 ARG QG . . 3.670 2.722 2.080 3.403 . 0 0 "[ . 1 . ]" 1
1385 1 83 ARG HA 1 84 GLU H . . 3.080 2.681 2.219 3.164 0.084 15 0 "[ . 1 . ]" 1
1386 1 83 ARG QB 1 84 GLU H . . 4.690 3.927 3.785 4.100 . 0 0 "[ . 1 . ]" 1
1387 1 83 ARG QG 1 84 GLU H . . 4.420 3.968 3.247 4.503 0.083 6 0 "[ . 1 . ]" 1
1388 1 84 GLU H 1 84 GLU HB2 . . 3.460 3.029 2.296 3.862 0.402 10 0 "[ . 1 . ]" 1
1389 1 84 GLU H 1 84 GLU HB3 . . 3.830 3.275 2.290 3.859 0.029 11 0 "[ . 1 . ]" 1
1390 1 84 GLU H 1 84 GLU HG2 . . 4.260 3.351 2.072 4.355 0.095 18 0 "[ . 1 . ]" 1
1391 1 84 GLU H 1 84 GLU HG3 . . 4.510 3.265 1.766 4.469 . 0 0 "[ . 1 . ]" 1
1392 1 84 GLU H 1 85 LYS H . . 4.350 4.102 2.865 4.432 0.082 2 0 "[ . 1 . ]" 1
1393 1 84 GLU HA 1 84 GLU HG2 . . 4.110 3.082 2.206 4.135 0.025 4 0 "[ . 1 . ]" 1
1394 1 84 GLU HA 1 85 LYS H . . 2.940 2.366 2.085 2.949 0.009 12 0 "[ . 1 . ]" 1
1395 1 84 GLU HB3 1 85 LYS H . . 4.730 3.793 2.143 4.587 . 0 0 "[ . 1 . ]" 1
1396 1 84 GLU HG2 1 85 LYS H . . 5.500 4.291 3.243 5.577 0.077 4 0 "[ . 1 . ]" 1
1397 1 85 LYS H 1 85 LYS HB3 . . 3.900 3.387 2.647 4.164 0.264 5 0 "[ . 1 . ]" 1
1398 1 85 LYS HA 1 85 LYS HD2 . . 3.290 2.873 2.133 3.837 0.547 5 2 "[ - + 1 . ]" 1
1399 1 85 LYS HA 1 85 LYS QE . . 3.960 3.539 1.819 4.061 0.101 11 0 "[ . 1 . ]" 1
1400 1 85 LYS HA 1 85 LYS HG2 . . 4.120 3.223 2.395 3.826 . 0 0 "[ . 1 . ]" 1
1401 1 85 LYS HB2 1 85 LYS HG3 . . 2.400 2.698 2.293 3.053 0.653 2 9 "[*+ . **** -. ** ]" 1
1402 1 85 LYS HB3 1 85 LYS HG3 . . 2.400 2.450 2.345 2.612 0.212 14 0 "[ . 1 . ]" 1
1403 1 85 LYS QE 1 85 LYS HG2 . . 3.840 2.757 1.987 3.620 . 0 0 "[ . 1 . ]" 1
1404 1 85 LYS QE 1 85 LYS HG3 . . 3.600 2.752 2.108 3.499 . 0 0 "[ . 1 . ]" 1
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