NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
385495 |
1l1p   |
5298 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l1p
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 1553
_Distance_constraint_stats_list.Viol_count 5553
_Distance_constraint_stats_list.Viol_total 24291.438
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0739
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.1458
_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 5 GLN 21.395 0.810 12 18 "[ ** * ** 1*+ *** *2 *****-*]"
1 6 ALA 4.604 0.798 30 4 "[ ** . 1 .- 2 . +]"
1 7 THR 6.200 0.734 27 7 "[ * -. * * . 2* *. + 3]"
1 8 TRP 21.505 0.734 27 10 "[ * *. * *** . 2* *. + -3]"
1 9 LYS 0.462 0.072 17 0 "[ . 1 . 2 . 3]"
1 10 GLU 13.124 0.801 2 7 "[ + . * -* . * *. *3]"
1 11 LYS 16.887 0.801 2 11 "[*+ . * -* *. ** *.* *]"
1 12 ASP 5.525 0.731 4 6 "[ *+. 1 . 2 * .* -*]"
1 13 GLY 19.700 0.854 29 4 "[* . 1 .* - . +3]"
1 14 ALA 9.355 0.419 15 0 "[ . 1 . 2 . 3]"
1 15 VAL 4.072 0.109 2 0 "[ . 1 . 2 . 3]"
1 16 GLU 1.576 0.071 5 0 "[ . 1 . 2 . 3]"
1 17 ALA 0.203 0.038 5 0 "[ . 1 . 2 . 3]"
1 18 GLU 7.097 0.647 23 9 "[ -. * 1 *. * 2 + * ***]"
1 19 ASP 1.949 0.071 5 0 "[ . 1 . 2 . 3]"
1 20 ARG 9.465 0.631 11 3 "[ . 1+* . 2 . -3]"
1 21 VAL 17.541 0.675 17 1 "[ . 1 . + 2 . 3]"
1 22 THR 19.726 0.660 6 2 "[- .+ 1 . 2 . 3]"
1 23 ILE 11.939 0.351 13 0 "[ . 1 . 2 . 3]"
1 24 ASP 9.290 0.898 29 6 "[ *- 1 . * * +*]"
1 25 PHE 47.339 0.661 23 6 "[ . 1 *. *2-*+ * 3]"
1 26 THR 19.472 0.659 11 12 "[ ** .* *1+ * * ** 2 .- * *]"
1 27 GLY 15.434 0.451 23 0 "[ . 1 . 2 . 3]"
1 28 SER 40.742 0.627 24 5 "[ * . 1 - 2* +. *3]"
1 29 VAL 14.277 0.521 24 1 "[ . 1 . 2 +. 3]"
1 30 ASP 1.249 0.095 23 0 "[ . 1 . 2 . 3]"
1 31 GLY 10.861 0.410 11 0 "[ . 1 . 2 . 3]"
1 32 GLU 15.232 0.791 11 2 "[ . 1+ . 2 -. 3]"
1 33 GLU 27.050 0.769 29 15 "[ ** . **** ** * 2 -* * **+3]"
1 34 PHE 33.654 0.759 7 7 "[ * . + 1 - 2 *** *3]"
1 35 GLU 11.724 0.931 7 3 "[ . + 1 . 2 - * 3]"
1 36 GLY 19.237 0.661 23 4 "[ . 1 *. 2 -+ * 3]"
1 37 GLY 10.393 0.603 24 1 "[ . 1 . 2 +. 3]"
1 38 LYS 3.023 0.139 1 0 "[ . 1 . 2 . 3]"
1 39 ALA 3.876 0.085 25 0 "[ . 1 . 2 . 3]"
1 40 SER 1.118 0.072 25 0 "[ . 1 . 2 . 3]"
1 41 ASP 17.109 0.660 6 2 "[- .+ 1 . 2 . 3]"
1 42 PHE 17.068 0.307 25 0 "[ . 1 . 2 . 3]"
1 43 VAL 4.046 0.179 14 0 "[ . 1 . 2 . 3]"
1 44 LEU 1.105 0.134 1 0 "[ . 1 . 2 . 3]"
1 45 ALA 3.716 0.140 19 0 "[ . 1 . 2 . 3]"
1 46 MET 10.125 0.837 17 1 "[ . 1 . + 2 . 3]"
1 47 GLY 6.135 0.831 17 1 "[ . 1 . + 2 . 3]"
1 48 GLN 6.601 0.371 25 0 "[ . 1 . 2 . 3]"
1 49 GLY 4.691 0.883 1 1 "[+ . 1 . 2 . 3]"
1 50 ARG 31.394 0.612 1 5 "[+ - *1 * 2 . * 3]"
1 51 MET 1.956 0.134 1 0 "[ . 1 . 2 . 3]"
1 52 ILE 36.518 0.612 1 1 "[+ . 1 . 2 . 3]"
1 54 GLY 0.635 0.635 16 1 "[ . 1 .+ 2 . 3]"
1 55 PHE 16.768 0.307 25 0 "[ . 1 . 2 . 3]"
1 57 ASP 10.077 0.554 2 1 "[ + . 1 . 2 . 3]"
1 58 GLY 16.441 0.685 16 1 "[ . 1 .+ 2 . 3]"
1 59 ILE 34.917 0.974 16 2 "[ - . 1 .+ 2 . 3]"
1 60 LYS 11.311 0.683 8 10 "[ *. + 1*-* * * ** *. 3]"
1 61 GLY 8.658 0.362 28 0 "[ . 1 . 2 . 3]"
1 62 HIS 12.148 0.746 13 1 "[ . 1 + . 2 . 3]"
1 63 LYS 5.030 0.344 27 0 "[ . 1 . 2 . 3]"
1 64 ALA 3.630 0.128 25 0 "[ . 1 . 2 . 3]"
1 65 GLY 3.598 0.133 30 0 "[ . 1 . 2 . 3]"
1 66 GLU 22.478 0.927 17 7 "[ . 1* . + 2 * * *-*3]"
1 67 GLU 35.609 0.927 17 6 "[ . 1 * . +* - . **3]"
1 68 PHE 37.749 0.880 28 9 "[ . 1* - .** 2 * * *+*3]"
1 69 THR 4.750 0.715 16 2 "[ - 1 .+ 2 . 3]"
1 70 ILE 35.104 0.974 16 4 "[ * 1 .+ 2 * -]"
1 71 ASP 13.238 0.655 10 14 "[*** .-***+* **.* *2 * . 3]"
1 72 VAL 12.289 0.595 26 2 "[ - 1 . 2 .+ 3]"
1 73 THR 3.822 0.143 1 0 "[ . 1 . 2 . 3]"
1 74 PHE 34.893 0.639 20 3 "[ . 1 . + - * 3]"
1 75 PRO 52.536 0.650 8 22 "[ **.**+** **** ** *-*******]"
1 76 GLU 13.504 0.908 8 10 "[ ** +*1 * * 2* * * -]"
1 77 GLU 12.232 0.937 27 4 "[ . 1 - 2** . + 3]"
1 78 TYR 51.154 0.937 27 25 "[* **-***** **** ********+***]"
1 79 HIS 12.691 0.669 9 1 "[ . +1 . 2 . 3]"
1 80 ALA 1.627 0.534 9 1 "[ . +1 . 2 . 3]"
1 81 GLU 9.440 0.649 19 11 "[* * . * . *+2* ** **-]"
1 82 ASN 13.890 0.498 8 0 "[ . 1 . 2 . 3]"
1 83 LEU 13.606 0.589 21 10 "[ ***. *1* *. -+* *. 3]"
1 84 LYS 11.258 0.498 8 0 "[ . 1 . 2 . 3]"
1 85 GLY 7.956 0.432 1 0 "[ . 1 . 2 . 3]"
1 86 LYS 22.846 0.639 20 12 "[ ***. *1* *. +***** 3]"
1 87 ALA 0.883 0.046 6 0 "[ . 1 . 2 . 3]"
1 88 ALA 7.104 0.215 25 0 "[ . 1 . 2 . 3]"
1 89 LYS 12.804 0.595 26 3 "[ * 1 . 2- .+ 3]"
1 90 PHE 48.438 0.659 11 13 "[ ** .* *1+ * * ** 2 ** * *]"
1 91 ALA 2.205 0.357 5 0 "[ . 1 . 2 . 3]"
1 92 ILE 36.813 0.536 25 4 "[ . 1- *. 2 + *]"
1 93 ASN 20.491 0.820 17 7 "[ . 1 . +***- . **3]"
1 94 LEU 13.710 0.409 28 0 "[ . 1 . 2 . 3]"
1 95 LYS 15.943 0.898 29 6 "[ ** 1 . * * +-]"
1 96 LYS 7.668 0.456 27 0 "[ . 1 . 2 . 3]"
1 97 VAL 11.844 0.128 25 0 "[ . 1 . 2 . 3]"
1 98 GLU 5.638 0.542 1 2 "[+ . 1 . - . 3]"
1 99 GLU 11.929 0.854 29 11 "[** . - *.* ** *.* +*]"
1 100 ARG 10.948 0.762 13 6 "[ .* 1 + .- *2 * .* 3]"
1 101 GLU 14.950 0.815 22 6 "[ .* 1 * .- *2 + .* 3]"
1 102 LEU 3.612 0.668 4 2 "[ +. 1 . 2 - . 3]"
1 103 PRO 0.547 0.324 24 0 "[ . 1 . 2 . 3]"
1 104 GLU 1.195 0.210 11 0 "[ . 1 . 2 . 3]"
1 105 LEU 7.871 0.798 11 8 "[ *. *1+ *. 2 ** - *]"
1 106 THR 0.032 0.014 12 0 "[ . 1 . 2 . 3]"
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 5 GLN H 1 5 GLN HB2 2.400 . 3.100 2.688 2.084 3.659 0.559 25 7 "[ * . * 1 .* *2 + -*]" 1
2 1 5 GLN H 1 5 GLN HB3 3.300 . 4.700 3.097 2.550 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 5 GLN H 1 5 GLN HG3 3.100 . 4.300 3.559 2.253 4.536 0.236 28 0 "[ . 1 . 2 . 3]" 1
4 1 5 GLN HA 1 5 GLN HB3 2.600 . 3.400 2.680 2.361 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 GLN HB2 1 5 GLN HG3 1.800 . 2.200 2.577 2.206 3.010 0.810 12 11 "[ * * 1*+ * * 2 *.***-3]" 1
6 1 5 GLN HB3 1 6 ALA H 2.700 . 3.600 3.256 2.133 4.398 0.798 30 4 "[ ** . 1 .- 2 . +]" 1
7 1 6 ALA H 1 6 ALA MB 2.000 . 2.500 2.182 2.071 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 6 ALA HA 1 6 ALA MB 1.900 . 2.400 2.110 2.082 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 ALA HA 1 7 THR H 1.900 . 2.400 2.288 2.217 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 6 ALA MB 1 7 THR H 2.200 . 2.800 2.687 2.536 2.817 0.017 3 0 "[ . 1 . 2 . 3]" 1
11 1 6 ALA MB 1 8 TRP HE1 2.900 . 4.000 2.303 1.862 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 6 ALA MB 1 8 TRP HZ2 3.500 . 5.000 4.296 3.751 5.015 0.015 22 0 "[ . 1 . 2 . 3]" 1
13 1 7 THR H 1 7 THR HA 2.500 . 3.300 2.944 2.938 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 7 THR H 1 7 THR HB 2.500 . 5.500 3.040 2.605 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 7 THR H 1 8 TRP H 3.400 . 4.800 4.461 4.371 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 7 THR HA 1 8 TRP H 1.900 . 2.400 2.252 2.159 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 7 THR HA 1 8 TRP HD1 2.600 . 3.400 3.030 2.801 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 7 THR HA 1 8 TRP HE1 3.200 . 5.500 5.135 4.947 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 7 THR HB 1 8 TRP H 2.400 . 5.500 3.682 2.607 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 7 THR MG 1 8 TRP H 2.500 . 3.300 2.983 1.923 4.034 0.734 27 7 "[ * -. * * . 2* *. + 3]" 1
21 1 8 TRP H 1 8 TRP HA 2.600 . 3.400 2.923 2.912 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 8 TRP H 1 8 TRP HB2 2.400 . 3.100 2.747 2.609 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 8 TRP H 1 8 TRP HB3 2.700 . 5.500 3.835 3.745 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 8 TRP H 1 8 TRP HD1 2.400 . 3.100 3.076 3.010 3.144 0.044 24 0 "[ . 1 . 2 . 3]" 1
25 1 8 TRP H 1 8 TRP HE1 3.800 . 5.500 5.533 5.479 5.578 0.078 26 0 "[ . 1 . 2 . 3]" 1
26 1 8 TRP H 1 9 LYS H 3.300 . 4.700 4.403 4.373 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 8 TRP HA 1 8 TRP HB2 2.600 . 3.400 3.020 3.012 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 8 TRP HA 1 8 TRP HB3 2.600 . 3.400 2.514 2.485 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 8 TRP HA 1 8 TRP HD1 3.400 . 4.800 3.694 3.414 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 8 TRP HA 1 8 TRP HE3 2.400 . 5.500 3.804 3.488 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 8 TRP HA 1 9 LYS H 2.100 . 2.700 2.396 2.273 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 8 TRP HA 1 100 ARG HA 3.800 . 5.500 4.973 4.527 5.563 0.063 22 0 "[ . 1 . 2 . 3]" 1
33 1 8 TRP HA 1 101 GLU H 2.800 . 5.500 4.401 3.542 5.406 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 TRP HB2 1 8 TRP HD1 2.400 . 3.100 2.850 2.756 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 8 TRP HB2 1 8 TRP HE1 3.500 . 5.000 4.849 4.819 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 8 TRP HB2 1 8 TRP HE3 3.000 . 4.100 3.936 3.797 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 8 TRP HB2 1 9 LYS H 3.000 . 5.500 3.636 3.279 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 TRP HB2 1 10 GLU H 4.100 . 5.500 3.804 3.366 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 8 TRP HB3 1 8 TRP HD1 2.800 . 3.800 3.881 3.860 3.898 0.098 22 0 "[ . 1 . 2 . 3]" 1
40 1 8 TRP HB3 1 8 TRP HE1 3.800 . 5.500 5.269 5.261 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 8 TRP HB3 1 8 TRP HE3 2.300 . 3.000 2.424 2.364 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 8 TRP HB3 1 9 LYS H 2.700 . 3.600 2.382 1.997 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 8 TRP HD1 1 102 LEU MD2 3.000 . 5.500 5.015 4.090 5.521 0.021 4 0 "[ . 1 . 2 . 3]" 1
44 1 8 TRP HE1 1 43 VAL QG 4.000 . 5.000 4.420 3.920 5.004 0.004 1 0 "[ . 1 . 2 . 3]" 1
45 1 8 TRP HE3 1 9 LYS H 3.000 . 5.500 3.535 3.307 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 8 TRP HE3 1 10 GLU HB3 3.400 . 4.800 3.148 2.529 4.738 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 TRP HE3 1 20 ARG H 3.300 . 5.500 5.533 5.293 5.572 0.072 11 0 "[ . 1 . 2 . 3]" 1
48 1 8 TRP HE3 1 20 ARG HB2 2.500 . 5.500 3.970 3.568 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 8 TRP HE3 1 20 ARG HB3 2.700 . 5.500 4.349 3.812 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 8 TRP HE3 1 98 GLU HB2 3.100 . 5.500 5.155 4.524 5.666 0.166 25 0 "[ . 1 . 2 . 3]" 1
51 1 8 TRP HE3 1 100 ARG H 3.000 . 5.500 4.656 4.458 4.879 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 8 TRP HE3 1 100 ARG HA 2.600 . 3.400 3.197 2.845 3.426 0.026 29 0 "[ . 1 . 2 . 3]" 1
53 1 8 TRP HE3 1 100 ARG HB2 3.600 . 5.200 2.658 2.313 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 8 TRP HE3 1 101 GLU H 3.500 . 5.000 4.232 3.739 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 8 TRP HH2 1 20 ARG HA 2.100 . 5.500 4.883 4.562 5.118 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 8 TRP HH2 1 20 ARG HB2 2.300 . 3.000 3.221 2.813 3.631 0.631 11 3 "[ . 1+* . 2 . -3]" 1
57 1 8 TRP HH2 1 20 ARG HB3 2.700 . 3.600 2.814 2.150 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 8 TRP HH2 1 45 ALA HA 3.500 . 5.000 5.082 5.016 5.140 0.140 19 0 "[ . 1 . 2 . 3]" 1
59 1 8 TRP HH2 1 45 ALA MB 2.200 . 5.500 4.416 4.236 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 8 TRP HH2 1 100 ARG QD 3.200 . 4.500 3.676 3.040 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 8 TRP HH2 1 100 ARG HG2 2.700 . 5.500 4.516 3.874 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 8 TRP HZ2 1 43 VAL QG 4.200 . 5.500 2.680 2.109 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 8 TRP HZ2 1 100 ARG QD 2.800 . 5.500 5.229 4.522 5.545 0.045 9 0 "[ . 1 . 2 . 3]" 1
64 1 8 TRP HZ3 1 20 ARG HB2 2.800 . 5.500 1.859 1.507 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 8 TRP HZ3 1 43 VAL QG 3.900 . 5.500 3.550 3.273 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 8 TRP HZ3 1 45 ALA MB 3.700 . 5.400 5.130 4.758 5.488 0.088 21 0 "[ . 1 . 2 . 3]" 1
67 1 8 TRP HZ3 1 100 ARG HB2 3.000 . 4.100 2.762 2.393 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 9 LYS H 1 9 LYS HA 2.500 . 3.300 2.916 2.905 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 9 LYS H 1 9 LYS HB2 2.900 . 4.000 3.614 2.845 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 9 LYS H 1 9 LYS QD 3.400 . 4.300 3.963 2.886 4.319 0.019 15 0 "[ . 1 . 2 . 3]" 1
71 1 9 LYS H 1 9 LYS QG 2.400 . 3.100 2.351 2.089 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 9 LYS H 1 10 GLU H 3.200 . 4.500 2.057 1.861 2.320 0.039 26 0 "[ . 1 . 2 . 3]" 1
73 1 9 LYS H 1 100 ARG HA 2.900 . 4.000 3.299 3.019 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 9 LYS H 1 100 ARG HB2 3.700 . 5.400 4.215 3.740 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 9 LYS H 1 100 ARG HB3 4.200 . 5.500 4.825 4.509 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 9 LYS H 1 101 GLU H 3.200 . 4.500 3.301 2.795 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 9 LYS HA 1 9 LYS HB2 2.700 . 3.600 2.660 2.414 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 9 LYS HA 1 9 LYS QD 3.200 . 4.500 3.870 2.577 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 9 LYS HA 1 10 GLU H 1.800 . 5.500 2.979 2.800 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 LYS HB2 1 9 LYS QG 2.200 . 2.800 2.245 2.129 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 LYS HB2 1 10 GLU H 2.200 . 5.500 4.235 3.767 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 LYS QD 1 9 LYS QG 2.200 . 2.800 2.034 2.011 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 LYS QG 1 10 GLU H 3.000 . 4.100 3.782 3.271 4.172 0.072 17 0 "[ . 1 . 2 . 3]" 1
84 1 9 LYS QG 1 101 GLU H 3.100 . 4.300 3.035 2.252 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 10 GLU H 1 10 GLU HA 2.800 . 3.800 2.811 2.764 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 10 GLU H 1 10 GLU HB2 3.200 . 4.500 3.459 2.779 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 GLU H 1 10 GLU HB3 2.300 . 3.000 2.779 2.381 3.591 0.591 2 5 "[ + . * 1- . * *. 3]" 1
88 1 10 GLU H 1 10 GLU HG3 2.800 . 3.800 3.080 1.820 3.982 0.182 15 0 "[ . 1 . 2 . 3]" 1
89 1 10 GLU HA 1 10 GLU HB3 2.300 . 3.000 2.388 2.282 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 GLU HA 1 11 LYS H 2.000 . 2.500 2.163 2.121 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 10 GLU HA 1 99 GLU H 2.800 . 3.800 3.332 2.927 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 10 GLU HB2 1 10 GLU HG3 2.000 . 2.500 2.407 2.219 3.001 0.501 29 2 "[ . - . 2 . +3]" 1
93 1 10 GLU HB2 1 11 LYS H 2.400 . 3.100 3.151 2.790 3.901 0.801 2 5 "[ + . - 1* . * *. 3]" 1
94 1 10 GLU HB3 1 10 GLU HG3 2.200 . 2.800 2.865 2.358 2.992 0.192 6 0 "[ . 1 . 2 . 3]" 1
95 1 10 GLU HB3 1 100 ARG HA 2.700 . 3.600 2.282 1.850 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 11 LYS H 1 11 LYS HA 2.600 . 3.400 2.830 2.807 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 11 LYS H 1 11 LYS HB2 2.500 . 3.300 2.989 2.243 3.598 0.298 18 0 "[ . 1 . 2 . 3]" 1
98 1 11 LYS H 1 11 LYS QD 3.800 . 5.500 3.579 1.972 4.234 0.028 25 0 "[ . 1 . 2 . 3]" 1
99 1 11 LYS H 1 11 LYS QG 2.500 . 3.300 2.048 1.809 3.341 0.041 25 0 "[ . 1 . 2 . 3]" 1
100 1 11 LYS H 1 13 GLY H 4.000 . 5.500 4.717 4.627 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 11 LYS H 1 98 GLU HA 2.400 . 5.500 4.559 4.102 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 11 LYS H 1 99 GLU H 3.000 . 4.100 2.276 1.978 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 11 LYS HA 1 12 ASP H 1.900 . 5.500 2.939 2.819 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 11 LYS HB2 1 11 LYS QG 2.600 . 3.400 2.373 2.158 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 11 LYS HB2 1 12 ASP H 2.600 . 5.500 2.237 1.722 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 11 LYS HB2 1 13 GLY H 2.400 . 3.100 2.817 2.385 3.216 0.116 14 0 "[ . 1 . 2 . 3]" 1
107 1 11 LYS HB2 1 98 GLU HA 3.200 . 5.500 4.824 3.741 5.836 0.336 24 0 "[ . 1 . 2 . 3]" 1
108 1 11 LYS HB2 1 99 GLU H 3.000 . 4.100 3.620 2.250 4.864 0.764 24 9 "[** . - *. ** +.* *]" 1
109 1 11 LYS QD 1 12 ASP H 3.600 . 5.200 3.717 2.448 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 11 LYS QD 1 13 GLY H 2.900 . 5.500 3.710 1.893 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 11 LYS QD 1 99 GLU H 3.200 . 4.500 4.051 3.512 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 11 LYS QD 1 99 GLU HA 3.300 . 5.500 5.149 4.476 5.617 0.117 29 0 "[ . 1 . 2 . 3]" 1
113 1 11 LYS QG 1 12 ASP H 2.900 . 5.500 3.379 2.440 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 11 LYS QG 1 13 GLY H 2.500 . 5.500 3.523 1.566 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 11 LYS QG 1 99 GLU H 3.400 . 4.800 2.998 1.965 4.173 0.035 5 0 "[ . 1 . 2 . 3]" 1
116 1 11 LYS QG 1 99 GLU HA 3.000 . 5.500 4.594 3.830 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 12 ASP H 1 12 ASP HA 2.400 . 3.100 2.935 2.917 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 12 ASP H 1 12 ASP HB2 2.400 . 3.100 2.921 2.524 3.831 0.731 4 6 "[ *+. 1 . 2 * .* -*]" 1
119 1 12 ASP H 1 12 ASP HB3 2.800 . 3.800 3.332 2.815 3.832 0.032 18 0 "[ . 1 . 2 . 3]" 1
120 1 12 ASP H 1 13 GLY H 2.400 . 3.100 2.244 2.092 2.444 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 12 ASP HA 1 12 ASP HB2 2.300 . 3.000 2.759 2.484 3.024 0.024 18 0 "[ . 1 . 2 . 3]" 1
122 1 12 ASP HA 1 12 ASP HB3 2.300 . 3.000 2.725 2.388 3.021 0.021 13 0 "[ . 1 . 2 . 3]" 1
123 1 12 ASP HA 1 13 GLY H 2.300 . 3.000 3.038 3.003 3.065 0.065 11 0 "[ . 1 . 2 . 3]" 1
124 1 12 ASP HB2 1 13 GLY H 3.000 . 5.500 4.258 3.967 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 GLY H 1 13 GLY HA2 2.200 . 2.800 2.938 2.925 2.954 0.154 15 0 "[ . 1 . 2 . 3]" 1
126 1 13 GLY H 1 14 ALA H 2.900 . 5.500 4.300 4.170 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 GLY H 1 97 VAL QG 3.200 . 5.500 5.184 4.959 5.303 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 GLY H 1 98 GLU HB3 3.200 . 4.500 4.286 4.058 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 GLY H 1 98 GLU HG3 3.600 . 5.200 4.948 3.948 5.742 0.542 1 2 "[+ . 1 . - . 3]" 1
130 1 13 GLY H 1 99 GLU HB3 2.600 . 5.500 5.392 4.932 6.354 0.854 29 2 "[ . 1 .- 2 . +3]" 1
131 1 13 GLY HA2 1 14 ALA H 2.000 . 2.500 2.808 2.749 2.919 0.419 15 0 "[ . 1 . 2 . 3]" 1
132 1 13 GLY HA3 1 14 ALA H 2.000 . 2.500 2.338 2.256 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 14 ALA H 1 14 ALA MB 1.900 . 2.400 2.130 2.031 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 14 ALA H 1 15 VAL H 3.300 . 4.700 4.474 4.429 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 14 ALA HA 1 15 VAL H 2.100 . 2.700 2.692 2.648 2.720 0.020 24 0 "[ . 1 . 2 . 3]" 1
136 1 14 ALA MB 1 15 VAL H 2.500 . 3.300 1.979 1.816 2.139 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 15 VAL H 1 15 VAL HA 2.700 . 3.600 2.863 2.857 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 15 VAL H 1 15 VAL HB 2.200 . 2.800 2.636 2.587 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 15 VAL H 1 15 VAL QG 2.100 . 5.500 2.092 1.923 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 15 VAL H 1 16 GLU H 3.300 . 4.700 4.658 4.648 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 15 VAL H 1 61 GLY HA3 2.900 . 4.000 4.008 3.943 4.109 0.109 2 0 "[ . 1 . 2 . 3]" 1
142 1 15 VAL H 1 62 HIS H 4.000 . 5.000 5.050 5.029 5.076 0.076 2 0 "[ . 1 . 2 . 3]" 1
143 1 15 VAL H 1 62 HIS HA 2.900 . 4.000 3.231 3.159 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 15 VAL H 1 94 LEU MD2 3.600 . 5.500 5.465 5.357 5.559 0.059 25 0 "[ . 1 . 2 . 3]" 1
145 1 15 VAL H 1 97 VAL MG2 2.300 . 3.000 2.562 2.367 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 15 VAL HA 1 15 VAL HB 2.800 . 3.800 2.451 2.430 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 15 VAL HA 1 15 VAL QG 2.300 . 2.700 2.229 2.177 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 15 VAL HA 1 16 GLU H 2.000 . 2.500 2.331 2.300 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 15 VAL HB 1 16 GLU H 3.700 . 5.400 3.967 3.878 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 15 VAL HB 1 61 GLY H 2.500 . 5.500 4.230 4.138 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 15 VAL HB 1 61 GLY HA3 2.300 . 3.000 1.738 1.677 1.801 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 15 VAL HB 1 62 HIS H 2.500 . 5.500 4.351 4.231 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 15 VAL MG1 1 15 VAL MG2 2.000 . 2.500 2.000 1.891 2.092 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 15 VAL QG 1 16 GLU H 2.800 . 3.000 1.824 1.753 1.940 0.047 15 0 "[ . 1 . 2 . 3]" 1
155 1 15 VAL QG 1 18 GLU H 4.000 . 5.500 5.366 5.320 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 15 VAL QG 1 19 ASP H 3.100 . 3.400 3.443 3.423 3.465 0.065 20 0 "[ . 1 . 2 . 3]" 1
157 1 15 VAL QG 1 19 ASP QB 2.900 . 3.000 2.373 2.046 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 15 VAL QG 1 61 GLY HA3 3.100 . 4.300 2.424 2.270 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 15 VAL QG 1 94 LEU MD2 2.300 . 5.500 4.469 4.378 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 15 VAL QG 1 97 VAL MG1 3.500 . 5.000 4.251 4.097 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 16 GLU H 1 16 GLU HA 2.600 . 3.400 2.914 2.909 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 16 GLU H 1 16 GLU QB 2.500 . 3.300 2.608 2.540 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 16 GLU H 1 16 GLU QG 3.000 . 5.500 3.635 2.657 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 16 GLU H 1 17 ALA H 3.200 . 4.500 4.366 4.357 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 16 GLU H 1 18 GLU H 4.400 . 5.500 5.242 5.189 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 16 GLU H 1 19 ASP H 3.200 . 4.500 3.605 3.496 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 16 GLU H 1 19 ASP QB 3.500 . 5.000 2.141 1.929 2.436 0.071 5 0 "[ . 1 . 2 . 3]" 1
168 1 16 GLU H 1 20 ARG H 4.400 . 5.500 5.061 4.879 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 16 GLU HA 1 16 GLU QB 2.300 . 3.000 2.476 2.173 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 16 GLU HA 1 16 GLU QG 2.600 . 3.400 2.181 2.052 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 16 GLU HA 1 17 ALA H 2.300 . 3.000 2.351 2.318 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 16 GLU HA 1 18 GLU H 3.600 . 5.200 5.214 5.102 5.247 0.047 12 0 "[ . 1 . 2 . 3]" 1
173 1 16 GLU QB 1 17 ALA H 2.000 . 2.500 2.469 2.348 2.538 0.038 5 0 "[ . 1 . 2 . 3]" 1
174 1 16 GLU QB 1 17 ALA MB 3.500 . 5.000 3.392 3.249 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 16 GLU QB 1 18 GLU H 3.000 . 4.100 3.633 3.546 4.140 0.040 29 0 "[ . 1 . 2 . 3]" 1
176 1 16 GLU QB 1 19 ASP H 2.600 . 5.500 4.312 4.001 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 16 GLU QG 1 17 ALA H 2.700 . 3.600 3.431 3.174 3.609 0.009 15 0 "[ . 1 . 2 . 3]" 1
178 1 16 GLU QG 1 17 ALA MB 2.300 . 5.500 4.682 3.736 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 17 ALA H 1 17 ALA HA 2.400 . 3.100 2.576 2.570 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 17 ALA H 1 17 ALA MB 2.100 . 2.700 2.298 2.187 2.373 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 17 ALA H 1 19 ASP H 3.900 . 5.500 5.233 5.087 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 17 ALA HA 1 18 GLU H 2.400 . 5.500 3.585 3.575 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 17 ALA MB 1 18 GLU H 2.400 . 3.100 2.020 1.874 2.183 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 17 ALA MB 1 19 ASP H 3.000 . 5.500 4.733 4.639 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 18 GLU H 1 18 GLU HA 2.300 . 3.000 2.951 2.948 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 18 GLU H 1 18 GLU HB2 2.400 . 3.100 2.956 2.482 3.747 0.647 23 9 "[ -. * 1 *. * 2 + * ***]" 1
187 1 18 GLU H 1 18 GLU HB3 2.400 . 5.500 3.574 3.084 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 18 GLU H 1 18 GLU HG3 2.600 . 3.400 3.018 2.392 3.748 0.348 23 0 "[ . 1 . 2 . 3]" 1
189 1 18 GLU H 1 19 ASP H 3.200 . 4.000 3.523 3.443 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 18 GLU HA 1 18 GLU HB2 2.500 . 3.300 2.863 2.473 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 18 GLU HA 1 18 GLU HB3 2.200 . 2.800 2.431 2.351 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 18 GLU HA 1 19 ASP H 2.600 . 3.400 2.437 2.396 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 18 GLU HB2 1 19 ASP H 2.500 . 5.500 4.399 4.228 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 18 GLU HB3 1 18 GLU HG3 2.300 . 3.000 2.928 2.685 3.010 0.010 10 0 "[ . 1 . 2 . 3]" 1
195 1 18 GLU HB3 1 19 ASP H 2.900 . 5.500 4.379 4.254 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 19 ASP H 1 19 ASP HA 2.400 . 3.100 2.930 2.925 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 19 ASP H 1 19 ASP QB 2.500 . 3.000 2.331 2.232 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 19 ASP H 1 20 ARG H 3.100 . 5.500 4.429 4.376 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 19 ASP H 1 46 MET H 3.600 . 5.200 3.740 3.650 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 19 ASP H 1 46 MET HB2 2.700 . 3.600 2.885 1.911 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 19 ASP H 1 99 GLU HA 3.700 . 5.400 4.856 4.404 5.082 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 19 ASP H 1 100 ARG HG3 3.000 . 5.500 4.787 4.468 5.099 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 19 ASP HA 1 19 ASP QB 2.500 . 3.300 2.335 2.140 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 19 ASP HA 1 20 ARG H 2.200 . 2.800 2.675 2.590 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 19 ASP HA 1 99 GLU HA 2.600 . 3.000 2.895 2.477 3.041 0.041 26 0 "[ . 1 . 2 . 3]" 1
206 1 19 ASP HA 1 100 ARG H 3.200 . 4.500 2.308 2.023 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 19 ASP HA 1 100 ARG HG2 2.900 . 4.000 2.693 2.142 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 19 ASP QB 1 20 ARG H 2.400 . 3.100 1.988 1.771 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 19 ASP QB 1 98 GLU H 3.400 . 4.800 3.959 3.629 4.379 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 20 ARG H 1 20 ARG HB2 2.300 . 3.000 2.798 2.652 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 20 ARG H 1 20 ARG HB3 2.900 . 4.000 3.469 3.042 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 20 ARG H 1 45 ALA HA 3.700 . 5.400 4.533 4.407 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 20 ARG H 1 45 ALA MB 3.200 . 5.500 5.452 5.314 5.574 0.074 23 0 "[ . 1 . 2 . 3]" 1
214 1 20 ARG H 1 97 VAL HA 3.500 . 5.000 5.020 4.965 5.060 0.060 29 0 "[ . 1 . 2 . 3]" 1
215 1 20 ARG H 1 98 GLU H 2.900 . 4.000 3.714 3.574 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 20 ARG H 1 99 GLU HA 3.000 . 4.100 3.534 3.161 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 20 ARG H 1 100 ARG H 3.700 . 5.400 2.640 2.439 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 20 ARG H 1 100 ARG HB3 3.500 . 5.000 3.479 3.155 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 20 ARG H 1 100 ARG HG2 3.200 . 4.500 2.780 2.425 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 20 ARG HA 1 21 VAL H 2.200 . 2.800 2.169 2.132 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 20 ARG HA 1 45 ALA H 3.800 . 5.500 4.402 4.310 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 20 ARG HA 1 45 ALA HA 2.600 . 3.000 2.067 1.949 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 20 ARG HA 1 45 ALA MB 2.900 . 4.000 3.701 3.569 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 20 ARG HA 1 46 MET H 2.600 . 3.400 2.536 2.411 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 20 ARG HA 1 46 MET HB2 3.200 . 5.500 3.947 3.733 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 21 VAL H 1 21 VAL HA 2.900 . 4.000 2.922 2.917 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 21 VAL H 1 21 VAL HB 3.200 . 4.500 3.661 3.615 3.698 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 21 VAL H 1 21 VAL MG1 2.100 . 2.700 2.569 2.412 2.707 0.007 3 0 "[ . 1 . 2 . 3]" 1
229 1 21 VAL H 1 21 VAL QG 2.300 . 3.000 1.883 1.693 2.072 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 21 VAL H 1 22 THR H 4.400 . 5.500 4.560 4.516 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 21 VAL H 1 43 VAL QG 3.200 . 4.000 4.025 3.874 4.073 0.073 23 0 "[ . 1 . 2 . 3]" 1
232 1 21 VAL H 1 44 LEU H 3.000 . 4.100 3.492 3.363 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 21 VAL H 1 45 ALA H 4.300 . 5.500 4.906 4.786 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 21 VAL H 1 45 ALA HA 2.800 . 3.800 3.703 3.585 3.816 0.016 25 0 "[ . 1 . 2 . 3]" 1
235 1 21 VAL H 1 46 MET H 3.200 . 4.500 3.600 3.474 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 21 VAL H 1 46 MET HG2 3.500 . 5.000 4.791 3.022 5.675 0.675 17 1 "[ . 1 . + 2 . 3]" 1
237 1 21 VAL H 1 94 LEU MD1 3.500 . 5.000 4.883 4.691 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 21 VAL H 1 97 VAL HB 3.000 . 5.500 5.530 5.443 5.594 0.094 6 0 "[ . 1 . 2 . 3]" 1
239 1 21 VAL H 1 100 ARG HG2 2.600 . 5.500 5.607 5.382 5.792 0.292 21 0 "[ . 1 . 2 . 3]" 1
240 1 21 VAL HA 1 21 VAL HB 2.300 . 3.000 2.464 2.407 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 21 VAL HA 1 21 VAL MG1 2.100 . 2.700 2.292 2.206 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 21 VAL HA 1 22 THR H 2.200 . 2.800 2.465 2.413 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 21 VAL HA 1 94 LEU MD1 3.800 . 5.500 4.223 4.062 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 21 VAL HA 1 96 LYS H 3.200 . 5.500 5.518 5.475 5.537 0.037 22 0 "[ . 1 . 2 . 3]" 1
245 1 21 VAL HA 1 97 VAL HA 2.600 . 3.000 1.955 1.868 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 21 VAL HA 1 98 GLU H 2.800 . 3.800 3.008 2.846 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 21 VAL HB 1 21 VAL QG 2.100 . 2.700 1.877 1.868 1.893 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 21 VAL HB 1 22 THR H 2.200 . 2.800 2.277 2.145 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 21 VAL HB 1 94 LEU MD2 3.100 . 4.300 3.969 3.771 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 21 VAL MG1 1 46 MET H 3.200 . 4.500 4.167 4.012 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 21 VAL MG1 1 61 GLY H 2.700 . 3.600 3.861 3.809 3.962 0.362 28 0 "[ . 1 . 2 . 3]" 1
252 1 21 VAL MG1 1 61 GLY HA2 1.900 . 2.400 2.039 1.988 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 21 VAL MG1 1 61 GLY HA3 3.000 . 4.100 2.270 2.186 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 21 VAL MG1 1 98 GLU H 3.300 . 4.700 3.385 3.152 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 21 VAL MG2 1 22 THR H 2.600 . 3.400 3.351 2.987 3.512 0.112 5 0 "[ . 1 . 2 . 3]" 1
256 1 21 VAL MG2 1 44 LEU H 2.400 . 3.100 2.632 2.412 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 21 VAL MG2 1 44 LEU HB2 2.700 . 3.600 2.381 2.211 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 21 VAL MG2 1 44 LEU QD 2.400 . 3.100 2.856 2.675 3.104 0.004 8 0 "[ . 1 . 2 . 3]" 1
259 1 22 THR H 1 22 THR HA 2.700 . 3.600 2.951 2.949 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 22 THR H 1 22 THR HB 2.600 . 3.400 2.619 2.551 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 22 THR H 1 23 ILE H 3.800 . 5.500 4.177 4.137 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 22 THR H 1 94 LEU MD1 2.600 . 3.400 3.344 3.134 3.424 0.024 22 0 "[ . 1 . 2 . 3]" 1
263 1 22 THR H 1 96 LYS H 2.600 . 3.400 3.493 3.470 3.513 0.113 30 0 "[ . 1 . 2 . 3]" 1
264 1 22 THR H 1 96 LYS HB2 2.800 . 5.500 3.878 3.524 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 22 THR HA 1 22 THR MG 2.200 . 2.800 2.397 2.370 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 22 THR HA 1 23 ILE H 2.100 . 2.700 2.175 2.161 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 22 THR HA 1 42 PHE H 3.800 . 5.500 4.368 4.236 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 22 THR HA 1 43 VAL H 3.800 . 5.500 4.656 4.543 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 22 THR HA 1 43 VAL HA 2.600 . 3.000 2.574 2.443 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 22 THR HA 1 43 VAL QG 4.000 . 5.500 3.532 3.129 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 22 THR HA 1 44 LEU H 2.700 . 3.600 3.400 3.302 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 22 THR HA 1 96 LYS H 3.900 . 5.500 4.881 4.827 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 22 THR HB 1 22 THR MG 2.000 . 2.500 2.075 2.072 2.078 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 22 THR HB 1 96 LYS H 2.500 . 5.500 2.061 2.000 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 22 THR HB 1 96 LYS HB2 2.700 . 3.600 2.127 1.878 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 22 THR MG 1 23 ILE H 2.400 . 3.100 2.866 2.820 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 22 THR MG 1 41 ASP H 2.700 . 5.500 5.041 4.853 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 22 THR MG 1 41 ASP HA 2.200 . 2.800 2.588 2.379 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 22 THR MG 1 41 ASP HB2 2.500 . 5.500 4.055 3.121 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 22 THR MG 1 41 ASP HB3 2.500 . 3.300 3.465 3.071 3.960 0.660 6 2 "[- .+ 1 . 2 . 3]" 1
281 1 22 THR MG 1 42 PHE H 2.500 . 3.300 3.366 3.336 3.396 0.096 19 0 "[ . 1 . 2 . 3]" 1
282 1 22 THR MG 1 94 LEU HA 2.300 . 5.500 5.652 5.602 5.706 0.206 13 0 "[ . 1 . 2 . 3]" 1
283 1 22 THR MG 1 95 LYS HG2 2.600 . 5.500 4.992 4.316 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 22 THR MG 1 96 LYS H 2.300 . 3.000 3.090 2.877 3.234 0.234 27 0 "[ . 1 . 2 . 3]" 1
285 1 22 THR MG 1 96 LYS QE 2.700 . 5.500 4.697 1.956 5.956 0.456 27 0 "[ . 1 . 2 . 3]" 1
286 1 23 ILE H 1 23 ILE HA 2.900 . 4.000 2.949 2.942 2.952 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 23 ILE H 1 23 ILE HB 3.300 . 4.700 3.791 3.722 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 23 ILE H 1 23 ILE MG 3.100 . 4.300 3.018 2.826 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 23 ILE H 1 24 ASP H 3.300 . 4.700 4.464 4.451 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 23 ILE H 1 42 PHE H 3.100 . 4.300 3.006 2.854 3.095 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 23 ILE H 1 42 PHE HB2 3.400 . 4.800 4.487 4.222 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 23 ILE H 1 42 PHE QB 3.200 . 4.000 3.001 2.710 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 23 ILE H 1 42 PHE HB3 3.100 . 4.300 3.048 2.741 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 23 ILE H 1 42 PHE QD 3.500 . 5.000 4.524 4.278 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 23 ILE H 1 43 VAL H 4.100 . 5.500 4.719 4.610 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 23 ILE H 1 43 VAL HA 2.900 . 4.000 3.650 3.488 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 23 ILE H 1 43 VAL QG 3.800 . 5.500 4.569 4.199 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 23 ILE H 1 44 LEU H 3.900 . 5.500 3.749 3.625 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 23 ILE HA 1 23 ILE HB 2.300 . 3.000 2.467 2.401 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 23 ILE HA 1 23 ILE MG 2.300 . 3.000 2.258 2.097 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 23 ILE HA 1 24 ASP H 2.100 . 2.700 2.260 2.219 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 23 ILE HA 1 42 PHE H 3.900 . 5.500 4.478 4.372 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 23 ILE HA 1 92 ILE MG 3.500 . 5.000 3.619 3.517 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 23 ILE HA 1 93 ASN H 3.200 . 4.500 4.267 4.121 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 23 ILE HA 1 94 LEU HA 2.600 . 3.000 2.806 2.651 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 23 ILE HA 1 95 LYS H 2.600 . 3.400 3.441 3.418 3.466 0.066 5 0 "[ . 1 . 2 . 3]" 1
307 1 23 ILE HA 1 95 LYS HB2 3.400 . 4.800 3.446 3.274 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 23 ILE HA 1 95 LYS HG2 3.900 . 5.500 4.535 3.061 5.590 0.090 29 0 "[ . 1 . 2 . 3]" 1
309 1 23 ILE HA 1 96 LYS H 3.100 . 5.500 5.105 4.977 5.233 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 23 ILE HB 1 24 ASP H 2.500 . 3.300 2.575 2.290 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 23 ILE HB 1 25 PHE QD 2.900 . 4.000 3.866 3.580 4.087 0.087 25 0 "[ . 1 . 2 . 3]" 1
312 1 23 ILE HB 1 42 PHE QD 3.200 . 4.500 4.519 4.171 4.665 0.165 22 0 "[ . 1 . 2 . 3]" 1
313 1 23 ILE HB 1 92 ILE MG 2.500 . 3.300 1.823 1.655 1.899 0.045 14 0 "[ . 1 . 2 . 3]" 1
314 1 23 ILE HB 1 93 ASN H 3.600 . 5.200 3.026 2.704 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 23 ILE MG 1 42 PHE H 3.500 . 5.500 5.183 5.029 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 23 ILE MG 1 42 PHE QD 2.200 . 5.500 4.497 4.235 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 23 ILE MG 1 59 ILE H 3.300 . 4.700 4.924 4.859 5.051 0.351 13 0 "[ . 1 . 2 . 3]" 1
318 1 23 ILE MG 1 59 ILE HB 2.100 . 5.500 4.124 3.976 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 23 ILE MG 1 59 ILE MD 2.300 . 5.500 3.930 3.790 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 23 ILE MG 1 68 PHE QE 2.700 . 3.600 3.668 3.543 3.784 0.184 11 0 "[ . 1 . 2 . 3]" 1
321 1 23 ILE MG 1 92 ILE MG 2.000 . 2.500 2.386 1.914 2.586 0.086 11 0 "[ . 1 . 2 . 3]" 1
322 1 23 ILE MG 1 93 ASN H 3.100 . 4.300 4.025 3.738 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 23 ILE MG 1 94 LEU HA 2.400 . 5.500 1.680 1.450 1.837 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 23 ILE MG 1 94 LEU MD2 2.200 . 5.500 3.772 3.729 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 23 ILE MG 1 95 LYS H 2.900 . 4.000 2.648 2.317 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 23 ILE MG 1 95 LYS HB2 2.400 . 5.500 4.177 3.880 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 24 ASP H 1 24 ASP QB 3.000 . 3.600 2.984 2.453 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 24 ASP H 1 92 ILE MG 3.200 . 4.500 2.949 2.682 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 24 ASP H 1 93 ASN QB 3.300 . 5.500 3.004 2.727 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 24 ASP H 1 95 LYS HG2 3.600 . 5.200 5.111 3.738 6.098 0.898 29 6 "[ *- 1 . * * +*]" 1
331 1 24 ASP HA 1 24 ASP QB 2.500 . 3.300 2.214 2.196 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 24 ASP HA 1 25 PHE H 2.100 . 2.700 2.242 2.225 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 24 ASP HA 1 40 SER H 3.400 . 4.800 4.015 3.952 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 24 ASP HA 1 40 SER HA 2.600 . 3.000 2.570 2.407 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 24 ASP HA 1 41 ASP H 3.200 . 4.500 4.596 4.573 4.616 0.116 20 0 "[ . 1 . 2 . 3]" 1
336 1 24 ASP HA 1 42 PHE H 2.900 . 4.000 3.327 3.246 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 24 ASP QB 1 41 ASP H 3.400 . 5.500 4.514 4.412 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 24 ASP QB 1 93 ASN QD 3.500 . 5.000 4.282 2.858 5.017 0.017 26 0 "[ . 1 . 2 . 3]" 1
339 1 25 PHE H 1 25 PHE HA 2.600 . 3.400 2.931 2.922 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 25 PHE H 1 25 PHE QD 2.700 . 3.600 3.248 3.128 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 25 PHE H 1 25 PHE QE 3.500 . 5.000 4.509 4.431 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 25 PHE H 1 39 ALA H 2.600 . 3.400 2.858 2.588 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 25 PHE H 1 39 ALA MB 3.000 . 4.100 2.629 2.460 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 25 PHE H 1 40 SER HA 2.800 . 3.800 3.690 3.522 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 25 PHE H 1 40 SER QB 4.000 . 5.500 5.316 5.167 5.527 0.027 10 0 "[ . 1 . 2 . 3]" 1
346 1 25 PHE H 1 92 ILE MG 3.900 . 5.500 4.031 3.803 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 25 PHE HA 1 25 PHE HB2 2.600 . 3.400 2.394 2.339 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 25 PHE HA 1 25 PHE HB3 2.600 . 3.400 2.484 2.464 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 25 PHE HA 1 25 PHE QD 2.500 . 5.500 3.682 3.628 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 25 PHE HA 1 26 THR H 2.000 . 2.500 2.395 2.327 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 25 PHE HA 1 26 THR MG 3.600 . 5.200 5.356 5.293 5.391 0.191 22 0 "[ . 1 . 2 . 3]" 1
352 1 25 PHE HA 1 39 ALA H 3.800 . 5.500 4.488 4.324 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 25 PHE HA 1 91 ALA H 3.400 . 4.800 4.285 4.124 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 25 PHE HA 1 91 ALA MB 3.200 . 4.500 4.279 4.135 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 25 PHE HA 1 92 ILE HA 2.600 . 3.000 2.244 2.144 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 25 PHE HA 1 92 ILE MD 2.900 . 5.500 4.800 3.661 5.029 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 25 PHE HA 1 92 ILE HG12 3.600 . 5.200 3.872 3.538 5.585 0.385 25 0 "[ . 1 . 2 . 3]" 1
358 1 25 PHE HA 1 92 ILE HG13 4.000 . 5.500 5.032 3.988 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 25 PHE HA 1 92 ILE MG 3.200 . 4.500 3.645 3.495 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 25 PHE HA 1 93 ASN H 3.000 . 4.100 3.568 3.442 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 25 PHE HB2 1 25 PHE QD 2.200 . 2.800 2.521 2.475 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 25 PHE HB2 1 25 PHE QE 4.500 . 5.500 4.448 4.430 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 25 PHE HB2 1 26 THR H 2.300 . 3.000 2.302 2.249 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 25 PHE HB2 1 55 PHE QE 3.500 . 5.500 5.395 5.067 5.610 0.110 13 0 "[ . 1 . 2 . 3]" 1
365 1 25 PHE HB2 1 91 ALA H 3.400 . 4.800 2.840 2.737 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 25 PHE HB2 1 92 ILE MD 2.800 . 3.800 3.373 1.819 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 25 PHE HB2 1 93 ASN H 3.000 . 4.100 4.489 4.325 4.674 0.574 19 2 "[ . 1 . +2- . 3]" 1
368 1 25 PHE HB3 1 25 PHE QD 2.300 . 3.000 2.288 2.267 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 25 PHE HB3 1 26 THR H 2.700 . 5.500 3.717 3.678 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 25 PHE HB3 1 42 PHE QD 3.300 . 5.500 4.911 4.095 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 25 PHE HB3 1 55 PHE QE 3.700 . 5.400 4.833 4.449 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 25 PHE HB3 1 92 ILE HG12 2.300 . 3.000 1.880 1.709 3.257 0.257 25 0 "[ . 1 . 2 . 3]" 1
373 1 25 PHE QD 1 26 THR H 2.700 . 3.600 2.802 2.578 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 25 PHE QD 1 26 THR HA 2.900 . 4.000 2.740 2.528 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 25 PHE QD 1 27 GLY H 2.400 . 3.100 3.104 3.019 3.146 0.046 23 0 "[ . 1 . 2 . 3]" 1
376 1 25 PHE QD 1 38 LYS HA 2.300 . 5.500 3.719 2.870 4.030 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 25 PHE QD 1 39 ALA H 2.900 . 4.000 3.665 3.313 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 25 PHE QD 1 39 ALA MB 2.500 . 3.300 3.100 2.977 3.309 0.009 22 0 "[ . 1 . 2 . 3]" 1
379 1 25 PHE QD 1 42 PHE H 3.900 . 5.500 5.304 5.171 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 25 PHE QD 1 42 PHE HB3 3.100 . 4.300 3.420 3.264 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 25 PHE QD 1 44 LEU QD 3.000 . 5.500 4.946 4.822 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 25 PHE QD 1 55 PHE QD 4.000 . 5.000 5.096 5.052 5.163 0.163 25 0 "[ . 1 . 2 . 3]" 1
383 1 25 PHE QD 1 55 PHE QE 2.200 . 5.500 3.477 3.197 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 25 PHE QD 1 90 PHE HB3 2.100 . 2.700 2.744 2.217 2.856 0.156 16 0 "[ . 1 . 2 . 3]" 1
385 1 25 PHE QD 1 91 ALA H 3.000 . 4.100 3.483 3.299 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 25 PHE QD 1 91 ALA MB 2.600 . 5.500 5.014 4.867 5.312 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 25 PHE QD 1 92 ILE MD 2.400 . 3.100 2.318 2.036 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 25 PHE QD 1 92 ILE HG12 2.100 . 5.500 2.985 2.850 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 25 PHE QD 1 92 ILE MG 3.200 . 4.500 2.786 2.527 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 25 PHE QD 1 93 ASN H 4.300 . 5.500 4.653 4.491 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 25 PHE QE 1 27 GLY H 3.400 . 4.800 3.746 3.527 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 25 PHE QE 1 27 GLY HA3 3.800 . 5.500 4.977 4.782 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 25 PHE QE 1 36 GLY HA2 3.100 . 4.300 4.588 4.481 4.961 0.661 23 2 "[ . 1 . 2 + - 3]" 1
394 1 25 PHE QE 1 36 GLY HA3 2.800 . 3.800 4.152 3.865 4.332 0.532 14 2 "[ . 1 +. 2 - . 3]" 1
395 1 25 PHE QE 1 37 GLY H 4.000 . 5.500 5.069 4.673 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 25 PHE QE 1 37 GLY HA2 3.100 . 4.300 3.693 3.296 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 25 PHE QE 1 37 GLY HA3 3.400 . 5.500 5.119 4.441 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 25 PHE QE 1 38 LYS H 3.100 . 4.300 4.177 4.042 4.322 0.022 23 0 "[ . 1 . 2 . 3]" 1
399 1 25 PHE QE 1 38 LYS HA 3.100 . 4.300 4.158 3.336 4.322 0.022 5 0 "[ . 1 . 2 . 3]" 1
400 1 25 PHE QE 1 39 ALA H 3.400 . 4.800 4.208 3.872 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 25 PHE QE 1 39 ALA HA 3.800 . 5.500 5.239 5.167 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 25 PHE QE 1 39 ALA MB 2.200 . 2.800 2.809 2.730 2.861 0.061 25 0 "[ . 1 . 2 . 3]" 1
403 1 25 PHE QE 1 42 PHE HB2 3.100 . 4.300 3.208 3.010 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 25 PHE QE 1 42 PHE QD 2.300 . 3.000 2.182 1.971 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 25 PHE QE 1 55 PHE QE 3.000 . 4.100 3.290 3.107 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 25 PHE QE 1 88 ALA MB 2.400 . 5.500 5.497 5.400 5.564 0.064 29 0 "[ . 1 . 2 . 3]" 1
407 1 25 PHE HZ 1 39 ALA MB 2.300 . 3.000 3.037 2.998 3.085 0.085 25 0 "[ . 1 . 2 . 3]" 1
408 1 25 PHE HZ 1 42 PHE QD 3.100 . 4.300 4.353 4.316 4.389 0.089 13 0 "[ . 1 . 2 . 3]" 1
409 1 25 PHE HZ 1 90 PHE QD 3.800 . 5.500 4.123 3.857 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 26 THR H 1 26 THR HA 2.900 . 4.000 2.911 2.901 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 26 THR H 1 26 THR HB 2.700 . 3.600 2.921 2.800 3.044 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 26 THR H 1 26 THR MG 2.900 . 4.000 3.979 3.911 4.028 0.028 23 0 "[ . 1 . 2 . 3]" 1
413 1 26 THR H 1 27 GLY H 3.500 . 5.000 4.037 3.992 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 26 THR H 1 90 PHE HA 3.100 . 4.300 4.281 4.247 4.323 0.023 24 0 "[ . 1 . 2 . 3]" 1
415 1 26 THR H 1 90 PHE HB2 3.500 . 5.000 5.288 3.933 5.659 0.659 11 12 "[ ** .* *1+ * * ** 2 .- * *]" 1
416 1 26 THR H 1 91 ALA H 2.900 . 4.000 2.438 2.357 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 26 THR H 1 91 ALA MB 2.700 . 3.600 3.148 2.907 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 26 THR H 1 92 ILE HA 2.700 . 3.600 3.680 3.623 3.779 0.179 25 0 "[ . 1 . 2 . 3]" 1
419 1 26 THR HA 1 26 THR MG 2.200 . 2.800 2.366 2.207 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 26 THR HA 1 27 GLY H 2.000 . 2.500 2.171 2.157 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 26 THR HA 1 38 LYS HA 2.600 . 3.000 2.056 1.793 2.318 0.007 22 0 "[ . 1 . 2 . 3]" 1
422 1 26 THR HA 1 39 ALA H 2.700 . 3.600 3.292 3.159 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 26 THR HB 1 26 THR MG 2.000 . 2.500 2.090 2.071 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 26 THR HB 1 39 ALA H 4.300 . 5.500 5.398 5.172 5.537 0.037 19 0 "[ . 1 . 2 . 3]" 1
425 1 26 THR HB 1 91 ALA H 3.200 . 4.500 4.441 4.203 4.507 0.007 23 0 "[ . 1 . 2 . 3]" 1
426 1 26 THR HB 1 91 ALA MB 2.200 . 5.500 3.669 3.310 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 26 THR MG 1 27 GLY H 2.700 . 3.600 2.902 2.757 3.079 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 26 THR MG 1 38 LYS H 3.100 . 5.500 4.650 4.340 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 26 THR MG 1 38 LYS HA 2.800 . 3.800 2.999 2.560 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 26 THR MG 1 38 LYS QB 2.400 . 5.500 2.579 1.941 3.813 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 26 THR MG 1 39 ALA H 3.400 . 4.800 4.463 4.066 4.884 0.084 14 0 "[ . 1 . 2 . 3]" 1
432 1 27 GLY H 1 27 GLY HA2 2.700 . 3.600 2.891 2.856 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 27 GLY H 1 27 GLY HA3 2.400 . 3.100 2.710 2.679 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 27 GLY H 1 28 SER H 3.200 . 4.500 4.403 4.383 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 27 GLY H 1 37 GLY H 4.500 . 5.500 5.345 5.222 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 27 GLY H 1 37 GLY HA2 2.800 . 3.800 2.866 2.713 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 27 GLY H 1 37 GLY HA3 3.100 . 4.300 3.759 3.542 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 GLY H 1 38 LYS H 3.600 . 5.200 4.487 4.203 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 27 GLY H 1 38 LYS HA 3.200 . 4.000 3.497 3.071 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 27 GLY H 1 38 LYS QB 3.300 . 5.500 4.507 3.470 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 27 GLY H 1 39 ALA H 3.600 . 5.200 5.003 4.895 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 27 GLY H 1 91 ALA H 3.900 . 5.500 4.310 4.134 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 27 GLY HA2 1 28 SER H 1.500 . 2.200 2.412 2.334 2.463 0.263 12 0 "[ . 1 . 2 . 3]" 1
444 1 27 GLY HA2 1 90 PHE HA 2.600 . 3.000 3.289 3.143 3.451 0.451 23 0 "[ . 1 . 2 . 3]" 1
445 1 27 GLY HA3 1 28 SER H 2.400 . 3.100 2.663 2.584 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 27 GLY HA3 1 89 LYS H 3.500 . 5.000 4.510 4.411 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 27 GLY HA3 1 91 ALA H 3.600 . 5.200 3.381 3.256 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 28 SER H 1 28 SER HA 2.800 . 3.800 2.952 2.940 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 28 SER H 1 28 SER HB2 3.000 . 4.100 3.238 2.917 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 28 SER H 1 28 SER HB3 3.200 . 4.500 3.558 3.301 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 28 SER H 1 88 ALA MB 3.200 . 4.500 4.402 4.291 4.535 0.035 23 0 "[ . 1 . 2 . 3]" 1
452 1 28 SER H 1 89 LYS H 4.000 . 5.000 3.778 3.596 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 28 SER H 1 89 LYS QB 3.100 . 5.500 3.332 3.073 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 28 SER H 1 90 PHE HA 2.700 . 5.500 4.134 3.905 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 28 SER H 1 90 PHE QD 2.400 . 5.500 3.977 3.754 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 28 SER HA 1 28 SER HB2 2.500 . 3.300 2.854 2.656 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 28 SER HA 1 28 SER HB3 2.400 . 3.100 2.269 2.244 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 28 SER HA 1 29 VAL H 2.100 . 2.700 2.499 2.412 2.717 0.017 23 0 "[ . 1 . 2 . 3]" 1
459 1 28 SER HA 1 29 VAL QG 3.300 . 4.700 3.587 3.112 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 28 SER HA 1 31 GLY H 3.700 . 5.400 5.108 4.973 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 28 SER HA 1 32 GLU H 3.000 . 5.500 4.775 4.579 5.405 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 28 SER HA 1 34 PHE H 2.400 . 3.100 3.205 3.133 3.257 0.157 24 0 "[ . 1 . 2 . 3]" 1
463 1 28 SER HA 1 37 GLY H 4.000 . 5.500 5.521 5.490 5.564 0.064 19 0 "[ . 1 . 2 . 3]" 1
464 1 28 SER HA 1 90 PHE QD 2.600 . 5.500 4.969 4.533 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 28 SER HB2 1 29 VAL H 2.200 . 2.800 2.546 2.084 2.962 0.162 2 0 "[ . 1 . 2 . 3]" 1
466 1 28 SER HB2 1 30 ASP H 3.800 . 5.500 4.413 3.988 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 28 SER HB2 1 31 GLY H 2.100 . 2.700 2.781 2.742 2.859 0.159 22 0 "[ . 1 . 2 . 3]" 1
468 1 28 SER HB2 1 32 GLU H 2.500 . 3.300 3.131 2.653 3.501 0.201 3 0 "[ . 1 . 2 . 3]" 1
469 1 28 SER HB2 1 32 GLU HB2 2.800 . 5.500 5.424 4.823 6.127 0.627 24 1 "[ . 1 . 2 +. 3]" 1
470 1 28 SER HB2 1 33 GLU H 3.900 . 5.500 3.997 3.620 5.863 0.363 25 0 "[ . 1 . 2 . 3]" 1
471 1 28 SER HB2 1 34 PHE H 3.600 . 5.200 5.383 4.927 5.728 0.528 29 3 "[ * . 1 - 2 . +3]" 1
472 1 28 SER HB2 1 89 LYS H 4.100 . 5.500 4.780 4.613 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 28 SER HB3 1 29 VAL H 2.500 . 3.300 2.866 2.442 3.380 0.080 8 0 "[ . 1 . 2 . 3]" 1
474 1 28 SER HB3 1 31 GLY H 3.000 . 4.100 4.102 3.525 4.510 0.410 11 0 "[ . 1 . 2 . 3]" 1
475 1 28 SER HB3 1 32 GLU H 2.700 . 3.600 3.393 2.852 4.062 0.462 23 0 "[ . 1 . 2 . 3]" 1
476 1 28 SER HB3 1 33 GLU H 4.500 . 5.500 2.449 2.133 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 28 SER HB3 1 34 PHE H 3.700 . 5.400 4.476 3.560 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 28 SER HB3 1 89 LYS H 3.800 . 5.500 5.840 5.737 6.019 0.519 21 1 "[ . 1 . 2+ . 3]" 1
479 1 29 VAL H 1 29 VAL HA 2.500 . 3.300 2.921 2.886 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 29 VAL H 1 29 VAL HB 2.600 . 3.400 3.132 2.570 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 29 VAL H 1 29 VAL QG 2.900 . 3.300 1.848 1.760 2.356 0.040 10 0 "[ . 1 . 2 . 3]" 1
482 1 29 VAL H 1 30 ASP H 3.400 . 4.800 2.793 2.473 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 29 VAL H 1 31 GLY H 3.200 . 4.500 3.306 3.145 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 29 VAL H 1 32 GLU H 2.400 . 3.100 3.083 2.779 3.131 0.031 10 0 "[ . 1 . 2 . 3]" 1
485 1 29 VAL H 1 32 GLU HB2 3.400 . 4.800 4.839 4.399 5.321 0.521 24 1 "[ . 1 . 2 +. 3]" 1
486 1 29 VAL H 1 32 GLU HB3 3.200 . 5.500 5.657 5.471 5.857 0.357 3 0 "[ . 1 . 2 . 3]" 1
487 1 29 VAL H 1 34 PHE H 3.700 . 5.400 3.641 3.354 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 29 VAL H 1 34 PHE HB3 3.600 . 5.200 4.481 3.915 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 29 VAL H 1 88 ALA HA 3.800 . 5.500 4.767 4.621 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 29 VAL H 1 88 ALA MB 2.600 . 3.400 3.504 3.453 3.615 0.215 25 0 "[ . 1 . 2 . 3]" 1
491 1 29 VAL HA 1 29 VAL QG 2.300 . 3.000 2.396 2.062 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 29 VAL HA 1 30 ASP H 2.200 . 5.500 3.560 3.443 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 29 VAL HA 1 31 GLY H 3.000 . 4.100 4.031 3.896 4.159 0.059 23 0 "[ . 1 . 2 . 3]" 1
494 1 29 VAL HA 1 88 ALA HA 3.300 . 4.700 1.879 1.848 1.939 0.052 12 0 "[ . 1 . 2 . 3]" 1
495 1 29 VAL HA 1 89 LYS H 3.000 . 4.100 2.769 2.586 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 29 VAL HB 1 29 VAL QG 2.000 . 2.500 1.857 1.847 1.892 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 29 VAL HB 1 30 ASP H 2.700 . 5.500 3.481 1.743 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 29 VAL HB 1 89 LYS H 4.400 . 5.500 4.591 4.180 5.590 0.090 24 0 "[ . 1 . 2 . 3]" 1
499 1 29 VAL QG 1 30 ASP H 2.700 . 3.600 1.854 1.705 2.706 0.095 23 0 "[ . 1 . 2 . 3]" 1
500 1 29 VAL QG 1 30 ASP HA 3.500 . 5.000 3.277 3.192 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 29 VAL QG 1 30 ASP HB2 3.500 . 5.000 2.971 2.509 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 29 VAL QG 1 31 GLY H 3.500 . 5.000 3.655 3.001 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 29 VAL QG 1 32 GLU H 3.700 . 5.400 3.283 1.993 4.455 0.007 23 0 "[ . 1 . 2 . 3]" 1
504 1 29 VAL QG 1 88 ALA H 4.100 . 5.500 3.886 3.394 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 29 VAL QG 1 88 ALA HA 2.300 . 3.000 2.844 2.441 3.022 0.022 22 0 "[ . 1 . 2 . 3]" 1
506 1 29 VAL QG 1 88 ALA MB 2.000 . 2.500 2.391 1.608 2.550 0.050 1 0 "[ . 1 . 2 . 3]" 1
507 1 29 VAL QG 1 89 LYS H 3.300 . 4.500 4.275 3.628 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 29 VAL QG 1 89 LYS QB 2.000 . 5.500 5.309 4.935 5.531 0.031 29 0 "[ . 1 . 2 . 3]" 1
509 1 29 VAL QG 1 89 LYS QE 3.200 . 5.500 5.083 4.436 5.594 0.094 1 0 "[ . 1 . 2 . 3]" 1
510 1 30 ASP H 1 30 ASP HB2 2.700 . 3.600 2.611 2.221 3.656 0.056 8 0 "[ . 1 . 2 . 3]" 1
511 1 30 ASP H 1 30 ASP HB3 2.700 . 3.600 3.084 2.722 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 30 ASP H 1 31 GLY H 2.600 . 3.400 2.998 2.898 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 30 ASP H 1 32 GLU H 3.500 . 5.000 2.901 2.815 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 30 ASP H 1 88 ALA HA 3.200 . 5.500 5.020 4.081 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 30 ASP HA 1 30 ASP HB2 2.300 . 3.000 2.737 2.474 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 30 ASP HA 1 30 ASP HB3 2.200 . 5.500 2.781 2.388 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 30 ASP HA 1 32 GLU H 3.400 . 4.800 4.264 4.191 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 30 ASP HB2 1 31 GLY H 3.300 . 4.700 4.438 4.277 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 30 ASP HB2 1 32 GLU H 3.500 . 5.000 4.420 3.853 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 30 ASP HB3 1 31 GLY H 3.300 . 4.600 4.327 4.169 4.666 0.066 22 0 "[ . 1 . 2 . 3]" 1
521 1 30 ASP HB3 1 32 GLU H 3.600 . 5.200 4.176 3.584 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 31 GLY H 1 31 GLY HA3 2.200 . 2.800 2.931 2.928 2.937 0.137 23 0 "[ . 1 . 2 . 3]" 1
523 1 31 GLY H 1 32 GLU H 2.300 . 3.000 2.478 2.206 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 31 GLY H 1 89 LYS QB 4.000 . 5.500 5.269 4.405 5.548 0.048 30 0 "[ . 1 . 2 . 3]" 1
525 1 31 GLY HA3 1 32 GLU H 2.800 . 3.800 3.184 3.116 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 32 GLU H 1 32 GLU HA 2.300 . 3.000 2.935 2.931 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 32 GLU H 1 32 GLU HB2 2.300 . 3.000 2.842 2.674 3.791 0.791 11 2 "[ . 1+ . 2 -. 3]" 1
528 1 32 GLU H 1 32 GLU HB3 2.600 . 5.500 3.797 3.167 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 32 GLU H 1 32 GLU QG 2.300 . 3.000 2.847 2.036 3.012 0.012 20 0 "[ . 1 . 2 . 3]" 1
530 1 32 GLU H 1 33 GLU H 3.100 . 4.300 4.193 4.043 4.334 0.034 25 0 "[ . 1 . 2 . 3]" 1
531 1 32 GLU HA 1 32 GLU HB3 2.400 . 3.100 2.430 2.394 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 32 GLU HA 1 33 GLU H 2.000 . 2.500 2.172 2.125 2.603 0.103 23 0 "[ . 1 . 2 . 3]" 1
533 1 33 GLU H 1 33 GLU HA 2.600 . 3.400 2.775 2.756 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 33 GLU H 1 33 GLU HB2 2.400 . 5.500 3.418 2.237 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 33 GLU H 1 33 GLU HB3 2.300 . 3.000 2.750 2.471 3.581 0.581 11 4 "[ . 1+* . 2 - * 3]" 1
536 1 33 GLU H 1 33 GLU HG2 2.500 . 3.300 2.433 1.905 4.056 0.756 23 1 "[ . 1 . 2 + . 3]" 1
537 1 33 GLU H 1 33 GLU HG3 2.300 . 3.000 2.988 1.741 3.769 0.769 29 11 "[ ** . * * ** * 2 - . **+3]" 1
538 1 33 GLU H 1 34 PHE H 3.100 . 4.300 4.448 4.411 4.470 0.170 23 0 "[ . 1 . 2 . 3]" 1
539 1 33 GLU HA 1 33 GLU HB2 2.400 . 3.100 2.569 2.441 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 33 GLU HA 1 33 GLU HB3 2.400 . 3.100 2.405 2.336 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 33 GLU HA 1 33 GLU HG3 2.700 . 3.600 3.754 2.423 4.202 0.602 10 5 "[ . + ** 2 . - *3]" 1
542 1 33 GLU HA 1 34 PHE H 2.000 . 2.500 2.113 2.050 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 33 GLU HB2 1 33 GLU HG2 2.200 . 2.800 2.884 2.642 3.008 0.208 12 0 "[ . 1 . 2 . 3]" 1
544 1 33 GLU HB2 1 34 PHE H 2.900 . 4.000 3.585 3.395 4.297 0.297 23 0 "[ . 1 . 2 . 3]" 1
545 1 33 GLU HB3 1 34 PHE H 2.700 . 5.500 4.119 3.276 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 33 GLU HG3 1 34 PHE H 3.100 . 5.500 4.848 4.337 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 34 PHE H 1 34 PHE HA 2.500 . 3.300 2.865 2.852 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 34 PHE H 1 34 PHE HB2 3.000 . 4.100 3.526 2.920 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 34 PHE H 1 34 PHE HB3 3.000 . 4.100 2.567 2.465 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 34 PHE H 1 35 GLU H 3.300 . 4.700 3.999 3.917 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 34 PHE H 1 37 GLY H 3.400 . 4.800 3.742 3.471 4.841 0.041 23 0 "[ . 1 . 2 . 3]" 1
552 1 34 PHE H 1 37 GLY HA2 3.600 . 5.200 3.846 3.570 4.769 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 34 PHE H 1 37 GLY HA3 3.600 . 5.200 3.437 3.089 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 34 PHE HA 1 34 PHE HB2 2.300 . 5.500 2.412 2.362 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 34 PHE HA 1 34 PHE HB3 2.300 . 3.000 2.507 2.374 3.022 0.022 25 0 "[ . 1 . 2 . 3]" 1
556 1 34 PHE HA 1 35 GLU H 2.200 . 2.800 3.045 2.340 3.123 0.323 7 0 "[ . 1 . 2 . 3]" 1
557 1 34 PHE HA 1 35 GLU HB2 2.700 . 5.500 5.349 4.594 6.259 0.759 7 1 "[ . + 1 . 2 . 3]" 1
558 1 34 PHE HA 1 35 GLU QG 3.500 . 5.000 4.509 3.964 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 34 PHE HB2 1 35 GLU H 2.500 . 3.300 2.042 1.674 3.923 0.623 25 2 "[ . 1 . 2 - + 3]" 1
560 1 34 PHE HB2 1 37 GLY H 3.800 . 5.500 5.010 4.795 5.284 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 34 PHE HB3 1 35 GLU H 2.600 . 5.500 3.310 3.223 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 34 PHE HB3 1 37 GLY HA3 2.000 . 5.500 5.567 2.998 6.103 0.603 24 1 "[ . 1 . 2 +. 3]" 1
563 1 34 PHE QE 1 83 LEU QD 4.000 . 4.000 3.996 3.889 4.087 0.087 27 0 "[ . 1 . 2 . 3]" 1
564 1 35 GLU H 1 35 GLU HA 2.500 . 3.300 2.845 2.840 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 35 GLU H 1 35 GLU HB2 2.100 . 2.700 2.373 2.117 3.631 0.931 7 1 "[ . + 1 . 2 . 3]" 1
566 1 35 GLU H 1 35 GLU QG 2.700 . 3.600 2.681 1.998 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 35 GLU H 1 37 GLY H 3.900 . 5.500 3.782 3.610 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 35 GLU HA 1 35 GLU QG 2.900 . 4.000 2.430 2.112 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 35 GLU HA 1 36 GLY H 2.100 . 5.500 3.563 3.551 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 35 GLU HA 1 37 GLY H 2.800 . 3.800 3.756 3.652 3.873 0.073 25 0 "[ . 1 . 2 . 3]" 1
571 1 35 GLU HB2 1 36 GLY H 2.900 . 4.000 2.381 2.058 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 35 GLU HB2 1 37 GLY H 3.500 . 5.000 4.635 4.480 5.049 0.049 7 0 "[ . 1 . 2 . 3]" 1
573 1 35 GLU QG 1 36 GLY H 3.200 . 4.500 3.987 1.884 4.277 0.016 7 0 "[ . 1 . 2 . 3]" 1
574 1 36 GLY H 1 36 GLY HA2 2.800 . 3.800 2.889 2.872 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 36 GLY H 1 36 GLY HA3 2.700 . 3.600 2.322 2.312 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 36 GLY H 1 37 GLY H 2.700 . 3.600 2.826 2.680 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 36 GLY H 1 38 LYS H 3.100 . 5.500 4.875 4.714 5.391 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 36 GLY HA2 1 37 GLY H 2.900 . 4.000 3.123 2.707 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 36 GLY HA2 1 38 LYS H 3.100 . 4.300 3.129 2.988 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 37 GLY H 1 37 GLY HA2 2.300 . 3.000 2.782 2.763 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 37 GLY H 1 37 GLY HA3 2.200 . 2.800 2.283 2.272 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 37 GLY H 1 38 LYS H 2.400 . 3.100 2.793 2.714 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 37 GLY HA2 1 38 LYS H 2.800 . 3.800 3.397 3.346 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 37 GLY HA2 1 90 PHE QD 2.600 . 5.500 4.484 4.227 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 37 GLY HA3 1 38 LYS H 2.400 . 3.100 3.144 2.703 3.239 0.139 1 0 "[ . 1 . 2 . 3]" 1
586 1 38 LYS H 1 38 LYS HA 2.400 . 3.100 2.898 2.883 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 38 LYS H 1 38 LYS QB 2.700 . 3.600 3.032 2.446 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 38 LYS H 1 38 LYS QE . . 4.500 3.671 1.955 4.511 0.011 28 0 "[ . 1 . 2 . 3]" 1
589 1 38 LYS H 1 38 LYS QG 3.000 . 4.100 2.897 2.163 4.118 0.018 4 0 "[ . 1 . 2 . 3]" 1
590 1 38 LYS H 1 39 ALA H 3.200 . 4.500 4.111 4.036 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 38 LYS HA 1 38 LYS QB 2.600 . 3.400 2.267 2.167 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 38 LYS HA 1 38 LYS QG 2.900 . 4.000 3.000 2.012 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 38 LYS HA 1 39 ALA H 1.900 . 2.400 2.124 2.104 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 38 LYS QB 1 39 ALA H 2.700 . 3.600 3.305 3.067 3.649 0.049 28 0 "[ . 1 . 2 . 3]" 1
595 1 38 LYS QE 1 38 LYS QG 2.900 . 3.800 2.192 1.939 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 38 LYS QE 1 39 ALA H 3.300 . 5.500 5.168 3.882 5.565 0.065 2 0 "[ . 1 . 2 . 3]" 1
597 1 38 LYS QG 1 39 ALA H 3.100 . 4.300 3.979 2.332 4.327 0.027 18 0 "[ . 1 . 2 . 3]" 1
598 1 39 ALA H 1 39 ALA HA 2.600 . 3.400 2.934 2.914 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 39 ALA H 1 39 ALA MB 2.400 . 3.100 2.503 2.474 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 39 ALA H 1 40 SER H 3.300 . 4.700 4.379 4.327 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 39 ALA HA 1 39 ALA MB 1.900 . 2.400 2.103 2.095 2.115 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 39 ALA HA 1 40 SER H 2.000 . 2.500 2.246 2.191 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 39 ALA MB 1 40 SER H 2.200 . 2.800 2.807 2.646 2.872 0.072 25 0 "[ . 1 . 2 . 3]" 1
604 1 39 ALA MB 1 40 SER HA 3.500 . 5.000 4.047 3.999 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 39 ALA MB 1 41 ASP H 3.700 . 5.400 4.099 3.911 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 39 ALA MB 1 42 PHE H 2.700 . 3.600 3.634 3.614 3.654 0.054 13 0 "[ . 1 . 2 . 3]" 1
607 1 39 ALA MB 1 42 PHE HA 3.100 . 4.300 3.767 3.588 3.877 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 39 ALA MB 1 42 PHE HB2 2.200 . 2.800 1.986 1.915 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 39 ALA MB 1 42 PHE HB3 2.500 . 5.500 3.368 3.192 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 39 ALA MB 1 42 PHE QD 2.100 . 5.500 3.472 3.305 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 40 SER H 1 40 SER HA 2.700 . 3.600 2.944 2.940 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 40 SER H 1 40 SER QB 2.700 . 3.100 2.705 2.358 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 40 SER H 1 41 ASP H 3.300 . 4.700 2.316 2.259 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 40 SER H 1 42 PHE H 3.800 . 5.500 4.341 4.276 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 40 SER HA 1 41 ASP H 2.000 . 5.500 3.579 3.562 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 40 SER HA 1 41 ASP HA 3.100 . 5.500 4.569 4.561 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 40 SER HA 1 42 PHE H 3.200 . 4.500 4.515 4.496 4.533 0.033 19 0 "[ . 1 . 2 . 3]" 1
618 1 40 SER QB 1 41 ASP H 2.700 . 3.600 2.536 2.143 3.174 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 41 ASP H 1 41 ASP HB2 2.500 . 3.300 2.946 2.408 3.656 0.356 20 0 "[ . 1 . 2 . 3]" 1
620 1 41 ASP H 1 41 ASP HB3 2.800 . 3.800 3.409 2.964 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 41 ASP H 1 42 PHE H 2.600 . 3.400 3.546 3.533 3.565 0.165 25 0 "[ . 1 . 2 . 3]" 1
622 1 41 ASP HA 1 41 ASP HB2 2.700 . 3.600 2.827 2.481 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 41 ASP HA 1 41 ASP HB3 2.400 . 3.100 2.457 2.382 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 41 ASP HA 1 42 PHE H 2.300 . 3.000 2.442 2.428 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 42 PHE H 1 42 PHE HA 2.600 . 3.400 2.915 2.906 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 42 PHE H 1 42 PHE HB2 2.200 . 2.800 2.712 2.608 2.933 0.133 14 0 "[ . 1 . 2 . 3]" 1
627 1 42 PHE H 1 42 PHE HB3 2.300 . 3.000 2.615 2.429 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 42 PHE H 1 42 PHE QD 3.100 . 4.300 4.243 4.217 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 42 PHE H 1 43 VAL H 3.200 . 4.500 4.279 4.213 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 42 PHE HA 1 42 PHE HB2 2.400 . 3.100 2.516 2.412 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 42 PHE HA 1 42 PHE HB3 2.800 . 3.800 3.021 3.012 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 42 PHE HA 1 42 PHE QD 2.500 . 3.300 1.987 1.880 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 42 PHE HA 1 43 VAL H 2.100 . 2.700 2.153 2.126 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 42 PHE HB2 1 42 PHE QD 2.200 . 2.800 2.743 2.716 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 42 PHE HB2 1 43 VAL H 2.900 . 5.500 4.473 4.362 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 42 PHE HB3 1 42 PHE QD 2.200 . 2.800 2.340 2.290 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 42 PHE HB3 1 43 VAL H 3.100 . 4.300 4.335 4.252 4.479 0.179 14 0 "[ . 1 . 2 . 3]" 1
638 1 42 PHE HB3 1 55 PHE QE 3.700 . 5.400 5.365 5.141 5.707 0.307 25 0 "[ . 1 . 2 . 3]" 1
639 1 42 PHE QD 1 43 VAL H 2.500 . 3.300 2.998 2.238 3.307 0.007 12 0 "[ . 1 . 2 . 3]" 1
640 1 42 PHE QD 1 43 VAL HA 3.100 . 5.500 5.029 4.166 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 42 PHE QD 1 44 LEU H 3.800 . 5.500 4.732 4.251 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 42 PHE QD 1 44 LEU QD 2.800 . 5.500 3.502 3.179 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 42 PHE QD 1 55 PHE QD 4.000 . 5.000 4.424 4.160 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 42 PHE QD 1 55 PHE QE 2.800 . 3.800 3.186 3.037 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 42 PHE QD 1 72 VAL QG 2.300 . 5.500 5.607 5.551 5.648 0.148 7 0 "[ . 1 . 2 . 3]" 1
646 1 42 PHE QD 1 92 ILE MD 2.800 . 3.800 3.375 3.039 3.973 0.173 14 0 "[ . 1 . 2 . 3]" 1
647 1 42 PHE QD 1 92 ILE HG12 2.200 . 5.500 5.227 3.767 5.597 0.097 12 0 "[ . 1 . 2 . 3]" 1
648 1 42 PHE QD 1 92 ILE MG 4.000 . 5.500 4.026 3.630 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 43 VAL H 1 43 VAL HA 3.000 . 4.100 2.881 2.862 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 43 VAL H 1 43 VAL HB 2.000 . 2.500 2.560 2.512 2.619 0.119 15 0 "[ . 1 . 2 . 3]" 1
651 1 43 VAL H 1 43 VAL QG 2.100 . 2.700 2.170 1.944 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 43 VAL H 1 44 LEU H 3.400 . 4.800 4.172 4.087 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 43 VAL HA 1 43 VAL QG 2.700 . 2.700 2.146 2.032 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 43 VAL HA 1 44 LEU H 2.100 . 2.700 2.192 2.171 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 43 VAL HB 1 43 VAL QG 2.000 . 2.400 1.866 1.854 1.879 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 43 VAL HB 1 44 LEU H 3.300 . 4.700 4.441 4.372 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 43 VAL MG1 1 43 VAL MG2 1.800 . 2.200 1.959 1.878 2.062 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 43 VAL QG 1 44 LEU H 2.700 . 3.100 3.085 3.017 3.122 0.022 13 0 "[ . 1 . 2 . 3]" 1
659 1 43 VAL QG 1 45 ALA H 3.900 . 5.500 4.580 4.300 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 43 VAL QG 1 45 ALA HA 3.700 . 5.400 4.372 4.242 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 43 VAL QG 1 45 ALA MB 3.300 . 4.700 4.031 3.820 4.295 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 44 LEU H 1 44 LEU HA 2.700 . 3.600 2.903 2.896 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 44 LEU H 1 44 LEU HB2 2.500 . 3.300 2.193 2.156 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 44 LEU H 1 44 LEU QD 2.600 . 5.500 3.766 3.731 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 44 LEU H 1 45 ALA H 3.200 . 4.500 4.528 4.497 4.558 0.058 26 0 "[ . 1 . 2 . 3]" 1
666 1 44 LEU H 1 59 ILE MG 2.900 . 5.500 4.124 4.003 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 44 LEU HA 1 45 ALA H 2.000 . 2.500 2.170 2.136 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 44 LEU HB2 1 44 LEU QD 2.300 . 3.000 2.382 2.275 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 44 LEU HB2 1 45 ALA H 3.100 . 5.500 4.350 4.269 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 44 LEU HB2 1 59 ILE MG 2.300 . 5.500 2.625 2.462 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 44 LEU QD 1 45 ALA H 2.400 . 3.100 1.915 1.756 2.054 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 44 LEU QD 1 46 MET H 3.000 . 4.500 4.189 4.054 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 44 LEU QD 1 47 GLY H 3.300 . 4.700 4.395 4.215 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 44 LEU QD 1 51 MET ME 2.500 . 3.300 1.805 1.566 2.061 0.134 1 0 "[ . 1 . 2 . 3]" 1
675 1 44 LEU QD 1 51 MET QG 2.800 . 3.800 3.109 2.245 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 44 LEU QD 1 52 ILE HG13 2.400 . 5.500 4.713 4.567 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 44 LEU QD 1 55 PHE QD 2.400 . 3.100 2.034 1.882 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 44 LEU QD 1 55 PHE QE 2.500 . 3.300 3.159 3.040 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 44 LEU QD 1 59 ILE HB 2.400 . 3.100 2.228 2.052 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 44 LEU QD 1 59 ILE MD 2.100 . 5.500 2.788 2.574 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 44 LEU QD 1 70 ILE MD 2.300 . 5.500 4.667 4.480 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 45 ALA H 1 45 ALA HA 3.000 . 4.100 2.935 2.925 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 45 ALA H 1 45 ALA MB 2.000 . 2.500 2.331 2.194 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 45 ALA HA 1 45 ALA MB 2.100 . 2.700 2.118 2.085 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 45 ALA HA 1 46 MET H 2.000 . 2.500 2.195 2.143 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 45 ALA MB 1 46 MET H 2.500 . 5.500 3.442 3.415 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 45 ALA MB 1 47 GLY H 3.600 . 5.200 3.828 3.571 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 45 ALA MB 1 48 GLN H 3.200 . 4.500 3.531 2.822 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 45 ALA MB 1 48 GLN HB2 2.600 . 3.400 1.872 1.794 2.117 0.006 16 0 "[ . 1 . 2 . 3]" 1
690 1 46 MET H 1 46 MET HA 2.500 . 3.300 2.833 2.809 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 46 MET H 1 46 MET HB2 2.500 . 3.300 2.114 2.048 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 46 MET H 1 46 MET HB3 2.700 . 3.600 3.355 3.228 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 46 MET H 1 46 MET HG2 2.500 . 3.300 3.424 1.929 4.137 0.837 17 1 "[ . 1 . + 2 . 3]" 1
694 1 46 MET H 1 47 GLY H 3.400 . 4.800 4.005 3.926 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 46 MET H 1 100 ARG HG2 3.200 . 5.500 4.805 4.534 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 46 MET HA 1 47 GLY H 2.100 . 2.700 2.273 2.183 2.336 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 46 MET HB2 1 47 GLY H 3.500 . 5.000 4.607 4.422 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 46 MET HB3 1 47 GLY H 2.500 . 5.500 4.154 4.032 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 46 MET HG2 1 47 GLY H 3.400 . 4.800 4.612 4.043 5.631 0.831 17 1 "[ . 1 . + 2 . 3]" 1
700 1 47 GLY H 1 47 GLY HA2 2.300 . 3.000 2.397 2.352 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 47 GLY H 1 47 GLY HA3 2.500 . 3.300 2.941 2.913 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 47 GLY H 1 48 GLN H 2.600 . 3.400 2.574 2.239 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 47 GLY H 1 49 GLY H 3.400 . 4.800 4.707 3.951 4.830 0.030 8 0 "[ . 1 . 2 . 3]" 1
704 1 47 GLY H 1 51 MET QB 3.200 . 5.500 2.618 2.116 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 47 GLY HA2 1 48 GLN H 2.700 . 3.600 2.534 2.400 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 47 GLY HA3 1 48 GLN H 2.600 . 3.400 3.557 3.473 3.572 0.172 8 0 "[ . 1 . 2 . 3]" 1
707 1 48 GLN H 1 48 GLN HA 2.600 . 3.400 2.945 2.936 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 48 GLN H 1 48 GLN HB2 2.700 . 3.600 2.738 2.374 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 48 GLN H 1 48 GLN HB3 2.500 . 3.300 3.046 2.613 3.570 0.270 3 0 "[ . 1 . 2 . 3]" 1
710 1 48 GLN H 1 48 GLN HG2 3.200 . 4.500 4.380 3.892 4.871 0.371 25 0 "[ . 1 . 2 . 3]" 1
711 1 48 GLN H 1 49 GLY H 3.700 . 5.400 2.445 2.190 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 48 GLN H 1 50 ARG H 3.600 . 5.200 3.648 3.453 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 48 GLN HA 1 48 GLN HB2 2.600 . 3.400 2.694 2.445 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 48 GLN HA 1 49 GLY H 3.100 . 4.300 3.565 3.554 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 48 GLN HB2 1 49 GLY H 2.900 . 4.000 3.126 2.559 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 48 GLN HB3 1 49 GLY H 3.100 . 4.300 2.102 1.935 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 48 GLN HG2 1 49 GLY H 3.300 . 4.700 4.266 3.133 4.746 0.046 4 0 "[ . 1 . 2 . 3]" 1
718 1 49 GLY H 1 49 GLY HA3 2.100 . 2.700 2.383 2.344 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 49 GLY H 1 50 ARG H 2.800 . 3.800 2.526 2.316 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 49 GLY H 1 51 MET H 3.800 . 5.500 4.074 3.899 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 49 GLY HA2 1 78 TYR QE 3.800 . 5.500 5.251 3.407 5.782 0.282 28 0 "[ . 1 . 2 . 3]" 1
722 1 49 GLY HA3 1 50 ARG H 3.400 . 4.800 2.750 2.577 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 49 GLY HA3 1 78 TYR QD 3.400 . 4.800 4.898 4.564 5.683 0.883 1 1 "[+ . 1 . 2 . 3]" 1
724 1 50 ARG H 1 50 ARG HB3 2.800 . 3.800 3.502 2.866 3.835 0.035 1 0 "[ . 1 . 2 . 3]" 1
725 1 50 ARG H 1 50 ARG HG2 2.700 . 3.600 3.819 3.521 4.172 0.572 1 1 "[+ . 1 . 2 . 3]" 1
726 1 50 ARG H 1 51 MET H 2.700 . 5.500 2.752 2.507 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 50 ARG HA 1 50 ARG HB2 2.500 . 3.300 2.440 2.374 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 50 ARG HA 1 50 ARG HB3 2.400 . 3.100 2.481 2.438 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 50 ARG HA 1 50 ARG HG2 2.300 . 5.500 4.010 2.206 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 50 ARG HA 1 51 MET H 2.500 . 3.300 2.471 2.428 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 50 ARG HB2 1 50 ARG HD3 4.000 . 5.500 2.646 2.476 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 50 ARG HB2 1 50 ARG HG3 2.900 . 4.000 2.784 2.264 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 50 ARG HB3 1 50 ARG HD2 3.500 . 5.000 3.904 2.764 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 50 ARG HB3 1 50 ARG HD3 3.800 . 5.500 3.697 2.235 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 50 ARG HB3 1 78 TYR QD 3.700 . 5.400 4.369 2.072 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 50 ARG HB3 1 78 TYR QE 3.400 . 4.800 5.038 2.731 5.354 0.554 28 4 "[ - *1 * 2 . + 3]" 1
737 1 50 ARG HD2 1 50 ARG QG 2.500 . 3.300 2.171 2.151 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 50 ARG HD2 1 52 ILE HG12 3.100 . 5.500 5.543 5.007 6.112 0.612 1 1 "[+ . 1 . 2 . 3]" 1
739 1 50 ARG HD3 1 50 ARG QG 2.500 . 3.300 2.273 2.201 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 50 ARG HD3 1 52 ILE HG12 3.200 . 4.500 4.550 4.099 4.792 0.292 15 0 "[ . 1 . 2 . 3]" 1
741 1 50 ARG HD3 1 74 PHE QD 4.100 . 5.500 5.624 5.302 5.951 0.451 16 0 "[ . 1 . 2 . 3]" 1
742 1 50 ARG HD3 1 78 TYR QD 4.100 . 5.500 3.025 2.645 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 50 ARG QG 1 52 ILE MG 2.800 . 3.800 3.914 3.756 4.000 0.200 25 0 "[ . 1 . 2 . 3]" 1
744 1 50 ARG HG2 1 51 MET H 3.900 . 5.500 5.494 4.516 5.628 0.128 26 0 "[ . 1 . 2 . 3]" 1
745 1 51 MET H 1 51 MET HA 2.700 . 3.600 2.736 2.718 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 51 MET H 1 51 MET QB 2.800 . 3.800 2.144 2.100 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 51 MET H 1 51 MET QG 3.200 . 4.500 3.884 2.830 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 51 MET H 1 52 ILE H 3.600 . 5.200 4.402 4.176 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 51 MET HA 1 51 MET QB 2.400 . 3.100 2.466 2.368 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 51 MET HA 1 51 MET ME 2.500 . 3.300 2.156 1.878 3.341 0.041 9 0 "[ . 1 . 2 . 3]" 1
751 1 51 MET HA 1 51 MET QG 2.900 . 3.300 2.295 2.071 2.435 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 51 MET HA 1 52 ILE H 2.100 . 2.700 2.134 2.096 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 51 MET HA 1 55 PHE QD 3.900 . 5.500 4.420 3.501 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 51 MET QB 1 51 MET ME 2.100 . 2.700 2.253 1.865 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 51 MET QB 1 51 MET QG 2.100 . 5.500 2.025 2.017 2.065 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 51 MET QB 1 52 ILE H 2.600 . 5.500 3.807 3.471 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 51 MET ME 1 51 MET QG 2.400 . 3.100 2.459 2.059 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 51 MET ME 1 52 ILE H 3.100 . 4.300 3.571 3.117 4.349 0.049 14 0 "[ . 1 . 2 . 3]" 1
759 1 51 MET ME 1 55 PHE QD 2.900 . 4.000 3.763 3.295 4.002 0.002 12 0 "[ . 1 . 2 . 3]" 1
760 1 51 MET ME 1 55 PHE QE 2.600 . 5.500 5.066 4.830 5.260 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 51 MET QG 1 52 ILE H 3.300 . 5.500 3.109 2.945 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 51 MET QG 1 55 PHE H 4.000 . 5.500 4.200 3.856 5.544 0.044 20 0 "[ . 1 . 2 . 3]" 1
763 1 51 MET QG 1 55 PHE QD 2.800 . 4.100 4.035 3.679 4.143 0.043 9 0 "[ . 1 . 2 . 3]" 1
764 1 52 ILE H 1 52 ILE HA 2.600 . 3.400 2.841 2.830 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 52 ILE H 1 52 ILE HB 3.100 . 4.300 3.543 3.504 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 52 ILE H 1 52 ILE MD 2.800 . 3.800 3.524 3.477 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 52 ILE H 1 52 ILE HG12 2.600 . 5.500 1.867 1.752 1.929 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 52 ILE H 1 52 ILE HG13 2.700 . 3.600 2.354 2.173 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 52 ILE H 1 52 ILE MG 2.200 . 2.800 2.904 2.827 3.000 0.200 25 0 "[ . 1 . 2 . 3]" 1
770 1 52 ILE H 1 55 PHE HB2 3.200 . 4.500 3.562 3.106 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 52 ILE H 1 55 PHE HB3 3.600 . 5.200 5.161 4.753 5.392 0.192 10 0 "[ . 1 . 2 . 3]" 1
772 1 52 ILE H 1 55 PHE QD 3.400 . 4.800 3.502 2.898 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 52 ILE H 1 78 TYR QE 4.100 . 5.500 4.998 4.579 5.429 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 52 ILE HA 1 52 ILE HB 2.200 . 2.800 2.662 2.638 2.695 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 52 ILE HA 1 52 ILE MD 2.800 . 5.500 4.171 4.130 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 52 ILE HA 1 52 ILE MG 2.100 . 2.700 2.179 2.111 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 52 ILE HB 1 52 ILE HG12 2.600 . 3.400 3.025 3.020 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 52 ILE HB 1 52 ILE MG 2.000 . 2.500 2.119 2.097 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 52 ILE HB 1 55 PHE H 2.800 . 3.800 3.799 3.715 3.839 0.039 20 0 "[ . 1 . 2 . 3]" 1
780 1 52 ILE MD 1 52 ILE HG13 2.200 . 2.800 2.113 2.078 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 52 ILE MD 1 52 ILE MG 2.100 . 2.700 1.924 1.757 2.108 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 52 ILE MD 1 55 PHE H 3.200 . 4.500 3.243 2.973 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 52 ILE MD 1 72 VAL H 3.700 . 5.400 4.723 4.597 4.943 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 52 ILE MD 1 72 VAL HA 3.600 . 5.200 2.321 2.157 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 52 ILE MD 1 72 VAL QG 2.700 . 5.500 2.097 1.641 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 52 ILE MD 1 73 THR H 3.100 . 5.500 1.965 1.727 2.185 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 52 ILE MD 1 74 PHE H 3.400 . 4.800 3.892 3.639 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 52 ILE MD 1 74 PHE HA 2.400 . 3.100 2.988 2.686 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 52 ILE MD 1 74 PHE HB3 3.200 . 4.500 4.811 4.599 4.931 0.431 19 0 "[ . 1 . 2 . 3]" 1
790 1 52 ILE MD 1 74 PHE QD 2.500 . 3.300 3.156 2.991 3.315 0.015 2 0 "[ . 1 . 2 . 3]" 1
791 1 52 ILE MD 1 74 PHE QE 4.000 . 5.000 2.926 2.710 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 52 ILE MD 1 74 PHE HZ 3.000 . 4.100 3.778 3.484 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 52 ILE MD 1 75 PRO HD2 3.000 . 4.100 4.248 3.940 4.375 0.275 7 0 "[ . 1 . 2 . 3]" 1
794 1 52 ILE MD 1 75 PRO HD3 2.700 . 3.600 3.864 3.592 3.934 0.334 8 0 "[ . 1 . 2 . 3]" 1
795 1 52 ILE MD 1 78 TYR QE 3.300 . 5.500 5.401 5.081 5.539 0.039 1 0 "[ . 1 . 2 . 3]" 1
796 1 52 ILE HG12 1 55 PHE H 3.000 . 4.100 4.063 3.913 4.136 0.036 25 0 "[ . 1 . 2 . 3]" 1
797 1 52 ILE HG12 1 78 TYR QE 2.800 . 5.500 4.928 4.587 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 52 ILE HG13 1 55 PHE H 2.800 . 3.800 2.328 2.194 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 52 ILE HG13 1 55 PHE QD 3.100 . 4.300 2.278 2.072 2.617 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 52 ILE MG 1 55 PHE H 3.500 . 5.000 4.888 4.830 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 52 ILE MG 1 73 THR H 2.700 . 3.600 3.377 3.140 3.743 0.143 1 0 "[ . 1 . 2 . 3]" 1
802 1 52 ILE MG 1 74 PHE HA 2.700 . 3.600 2.853 2.558 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 52 ILE MG 1 75 PRO HD2 2.700 . 3.600 3.130 2.858 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 52 ILE MG 1 78 TYR QD 2.900 . 5.500 4.184 3.854 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 52 ILE MG 1 78 TYR QE 2.300 . 5.500 4.987 4.716 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 54 GLY H 1 54 GLY HA2 2.700 . 3.600 2.838 2.777 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 54 GLY H 1 54 GLY HA3 2.300 . 3.000 2.289 2.280 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 54 GLY H 1 55 PHE H 2.700 . 3.600 2.832 2.726 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 54 GLY HA3 1 55 PHE H 2.700 . 3.600 2.566 2.520 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 54 GLY HA3 1 59 ILE MD 2.700 . 5.500 4.998 4.846 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 54 GLY HA3 1 70 ILE QG 3.000 . 4.100 3.543 3.276 4.735 0.635 16 1 "[ . 1 .+ 2 . 3]" 1
812 1 55 PHE H 1 55 PHE HA 2.300 . 3.000 2.829 2.819 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 55 PHE H 1 55 PHE HB2 2.400 . 3.100 2.313 2.231 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 55 PHE H 1 55 PHE HB3 2.500 . 5.500 3.552 3.512 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 55 PHE H 1 55 PHE QD 2.800 . 3.800 2.970 2.744 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 55 PHE H 1 55 PHE QE 4.400 . 5.500 4.763 4.600 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 55 PHE H 1 57 ASP H 2.800 . 5.500 3.888 3.783 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 55 PHE H 1 59 ILE HB 3.300 . 5.500 5.585 5.537 5.637 0.137 22 0 "[ . 1 . 2 . 3]" 1
819 1 55 PHE H 1 70 ILE QG 3.600 . 5.200 4.087 3.912 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 55 PHE H 1 72 VAL HB 3.600 . 5.200 5.044 3.979 5.271 0.071 12 0 "[ . 1 . 2 . 3]" 1
821 1 55 PHE H 1 72 VAL QG 2.700 . 3.600 2.556 2.157 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 55 PHE HA 1 55 PHE HB2 2.700 . 3.600 3.011 2.999 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 55 PHE HA 1 55 PHE QD 2.300 . 3.000 2.509 2.353 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 55 PHE HA 1 55 PHE QE 3.500 . 5.000 4.442 4.364 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 55 PHE HA 1 57 ASP H 3.100 . 4.300 3.690 3.547 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 55 PHE HA 1 58 GLY H 2.800 . 3.800 3.908 3.866 3.951 0.151 27 0 "[ . 1 . 2 . 3]" 1
827 1 55 PHE HA 1 59 ILE H 2.900 . 4.000 3.121 2.962 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 55 PHE HA 1 59 ILE MD 2.500 . 5.500 1.541 1.478 1.597 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 55 PHE HA 1 72 VAL QG 2.700 . 5.500 3.361 2.947 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 55 PHE HB2 1 55 PHE QD 2.400 . 3.100 2.263 2.246 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 55 PHE HB2 1 55 PHE QE 3.100 . 4.300 4.364 4.356 4.373 0.073 13 0 "[ . 1 . 2 . 3]" 1
832 1 55 PHE HB3 1 55 PHE QD 2.400 . 3.100 2.596 2.533 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 55 PHE QD 1 59 ILE HB 2.500 . 3.300 3.218 3.092 3.338 0.038 1 0 "[ . 1 . 2 . 3]" 1
834 1 55 PHE QD 1 59 ILE MD 2.600 . 5.500 1.700 1.615 1.785 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 55 PHE QD 1 70 ILE MD 2.700 . 3.600 3.615 3.478 3.670 0.070 29 0 "[ . 1 . 2 . 3]" 1
836 1 55 PHE QD 1 72 VAL HB 3.300 . 4.700 4.230 3.661 4.725 0.025 24 0 "[ . 1 . 2 . 3]" 1
837 1 55 PHE QD 1 72 VAL QG 2.700 . 3.600 2.680 2.193 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 55 PHE QD 1 74 PHE HZ 3.000 . 4.100 4.039 3.859 4.165 0.065 1 0 "[ . 1 . 2 . 3]" 1
839 1 55 PHE QD 1 92 ILE MD 2.800 . 3.800 2.529 2.337 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 55 PHE QE 1 59 ILE HB 3.200 . 5.500 5.398 5.298 5.504 0.004 1 0 "[ . 1 . 2 . 3]" 1
841 1 55 PHE QE 1 59 ILE MD 2.400 . 3.100 3.146 3.120 3.171 0.071 16 0 "[ . 1 . 2 . 3]" 1
842 1 55 PHE QE 1 59 ILE HG12 3.600 . 5.200 3.815 3.615 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 55 PHE QE 1 59 ILE MG 3.900 . 5.500 4.876 4.683 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 55 PHE QE 1 70 ILE MD 3.200 . 4.500 4.038 3.852 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 55 PHE QE 1 72 VAL QG 4.100 . 5.500 2.547 1.963 2.797 0.037 12 0 "[ . 1 . 2 . 3]" 1
846 1 55 PHE QE 1 90 PHE HB2 4.000 . 5.000 4.526 4.252 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 55 PHE QE 1 90 PHE QD 2.400 . 3.100 2.688 2.393 3.116 0.016 21 0 "[ . 1 . 2 . 3]" 1
848 1 55 PHE QE 1 92 ILE MD 2.500 . 5.500 2.007 1.693 2.749 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 55 PHE QE 1 92 ILE HG12 2.200 . 5.500 3.982 2.594 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 55 PHE QE 1 92 ILE MG 3.800 . 5.500 4.054 3.718 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 57 ASP H 1 57 ASP HA 2.800 . 3.800 2.872 2.840 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 57 ASP H 1 57 ASP HB2 2.800 . 3.800 2.304 2.083 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 57 ASP H 1 57 ASP HB3 2.900 . 4.000 2.973 2.455 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 57 ASP H 1 58 GLY H 2.600 . 3.400 2.964 2.907 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 57 ASP H 1 59 ILE H 3.800 . 5.500 4.074 3.882 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 57 ASP HA 1 57 ASP HB2 2.300 . 5.500 2.708 2.434 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 57 ASP HA 1 57 ASP HB3 2.100 . 2.700 2.923 2.741 3.026 0.326 29 0 "[ . 1 . 2 . 3]" 1
858 1 57 ASP HA 1 58 GLY H 3.000 . 4.100 3.573 3.561 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 57 ASP HB2 1 58 GLY H 2.700 . 3.600 3.053 2.473 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 57 ASP HB2 1 59 ILE H 3.800 . 5.500 5.373 4.783 6.054 0.554 2 1 "[ + . 1 . 2 . 3]" 1
861 1 57 ASP HB3 1 58 GLY H 2.800 . 3.800 1.963 1.815 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 58 GLY H 1 58 GLY HA2 2.200 . 2.800 2.823 2.801 2.860 0.060 29 0 "[ . 1 . 2 . 3]" 1
863 1 58 GLY H 1 58 GLY HA3 2.300 . 3.000 2.292 2.286 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 58 GLY H 1 60 LYS H 3.100 . 4.300 4.387 4.353 4.419 0.119 1 0 "[ . 1 . 2 . 3]" 1
865 1 58 GLY H 1 70 ILE HB 3.100 . 4.300 3.706 3.521 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 58 GLY H 1 70 ILE MD 2.900 . 4.000 3.929 3.808 4.025 0.025 25 0 "[ . 1 . 2 . 3]" 1
867 1 58 GLY H 1 70 ILE MG 3.000 . 4.100 2.185 1.941 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 58 GLY H 1 72 VAL QG 3.800 . 5.500 5.472 5.181 5.544 0.044 2 0 "[ . 1 . 2 . 3]" 1
869 1 58 GLY HA2 1 59 ILE H 2.800 . 3.800 3.547 3.534 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 58 GLY HA2 1 70 ILE MD 2.700 . 5.500 4.758 4.525 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 58 GLY HA2 1 70 ILE MG 2.400 . 3.100 3.171 2.927 3.785 0.685 16 1 "[ . 1 .+ 2 . 3]" 1
872 1 58 GLY HA2 1 94 LEU MD2 2.600 . 5.500 5.691 5.342 5.909 0.409 28 0 "[ . 1 . 2 . 3]" 1
873 1 58 GLY HA3 1 59 ILE H 2.800 . 3.800 2.642 2.572 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 58 GLY HA3 1 70 ILE MG 2.600 . 5.500 2.115 1.835 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 59 ILE H 1 59 ILE HA 2.800 . 3.800 2.859 2.849 2.876 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 59 ILE H 1 59 ILE HB 2.300 . 3.000 2.585 2.529 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 59 ILE H 1 59 ILE MD 2.600 . 3.400 1.725 1.698 1.763 0.102 3 0 "[ . 1 . 2 . 3]" 1
878 1 59 ILE H 1 59 ILE HG12 2.600 . 3.400 3.586 3.556 3.606 0.206 23 0 "[ . 1 . 2 . 3]" 1
879 1 59 ILE H 1 59 ILE MG 2.700 . 5.500 3.717 3.706 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 59 ILE H 1 60 LYS H 2.300 . 3.000 3.063 3.034 3.098 0.098 2 0 "[ . 1 . 2 . 3]" 1
881 1 59 ILE H 1 68 PHE QE 3.400 . 4.800 3.036 2.818 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 59 ILE H 1 70 ILE MD 3.000 . 5.500 3.803 3.685 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 59 ILE H 1 70 ILE MG 2.700 . 3.600 3.653 3.387 4.574 0.974 16 1 "[ . 1 .+ 2 . 3]" 1
884 1 59 ILE H 1 92 ILE HB 3.600 . 5.500 5.116 4.833 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 59 ILE HA 1 59 ILE MD 2.800 . 3.800 3.427 3.378 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 59 ILE HA 1 59 ILE MG 2.300 . 3.000 2.199 2.133 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 59 ILE HA 1 60 LYS H 3.100 . 4.300 2.690 2.618 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 59 ILE HA 1 61 GLY H 3.400 . 4.800 3.527 3.432 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 59 ILE HA 1 62 HIS H 3.300 . 4.700 4.956 4.922 4.984 0.284 24 0 "[ . 1 . 2 . 3]" 1
890 1 59 ILE HA 1 62 HIS HD2 2.200 . 5.500 5.131 4.587 5.632 0.132 13 0 "[ . 1 . 2 . 3]" 1
891 1 59 ILE HA 1 68 PHE QD 3.100 . 5.500 5.289 5.128 5.476 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 59 ILE HA 1 68 PHE QE 2.300 . 5.500 3.508 3.361 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 59 ILE HA 1 92 ILE MG 3.300 . 4.700 4.419 3.644 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 59 ILE HA 1 94 LEU MD2 2.600 . 3.400 3.255 3.053 3.441 0.041 2 0 "[ . 1 . 2 . 3]" 1
895 1 59 ILE HB 1 59 ILE MG 2.400 . 3.100 2.103 2.082 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 59 ILE HB 1 94 LEU MD1 2.600 . 5.500 4.229 4.116 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 59 ILE MD 1 59 ILE HG12 2.300 . 3.000 2.059 2.051 2.066 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 59 ILE MD 1 59 ILE MG 1.900 . 5.500 3.182 3.152 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 59 ILE MD 1 60 LYS H 3.600 . 5.200 4.229 4.196 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 59 ILE MD 1 70 ILE H 2.700 . 5.500 4.768 4.671 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 59 ILE MD 1 70 ILE MD 2.600 . 3.400 1.916 1.818 2.226 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 59 ILE MD 1 92 ILE MD 2.500 . 3.300 1.787 1.676 2.975 0.024 10 0 "[ . 1 . 2 . 3]" 1
903 1 59 ILE HG12 1 59 ILE MG 2.700 . 3.600 2.088 2.034 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 59 ILE HG12 1 68 PHE QE 2.800 . 3.800 3.674 3.479 3.843 0.043 12 0 "[ . 1 . 2 . 3]" 1
905 1 59 ILE HG12 1 94 LEU MD1 2.900 . 4.000 3.956 3.825 4.025 0.025 21 0 "[ . 1 . 2 . 3]" 1
906 1 59 ILE MG 1 68 PHE QE 3.100 . 4.300 4.212 4.006 4.432 0.132 12 0 "[ . 1 . 2 . 3]" 1
907 1 60 LYS H 1 60 LYS HA 2.400 . 3.100 2.824 2.812 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 60 LYS H 1 60 LYS HB2 2.300 . 3.000 2.709 2.193 3.683 0.683 8 10 "[ *. + 1*-* * * ** *. 3]" 1
909 1 60 LYS H 1 60 LYS HB3 2.600 . 5.500 3.342 2.918 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 60 LYS H 1 60 LYS QG 2.500 . 3.100 2.645 1.714 3.133 0.033 30 0 "[ . 1 . 2 . 3]" 1
911 1 60 LYS H 1 61 GLY H 3.300 . 4.700 2.690 2.662 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 60 LYS H 1 62 HIS H 4.100 . 5.500 4.347 4.203 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 60 LYS HA 1 60 LYS HB2 2.900 . 4.000 2.847 2.585 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 60 LYS HA 1 60 LYS HB3 2.900 . 4.000 2.605 2.265 2.773 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 60 LYS HA 1 60 LYS QG 3.100 . 4.300 2.582 2.060 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 60 LYS HB2 1 60 LYS QG 2.100 . 2.700 2.206 2.129 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 60 LYS HB2 1 61 GLY H 3.200 . 4.500 2.737 2.341 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 60 LYS HB3 1 61 GLY H 3.500 . 5.000 3.156 2.738 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 60 LYS HB3 1 62 HIS HD2 3.800 . 5.500 4.177 2.784 5.415 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 60 LYS QG 1 61 GLY H 3.600 . 5.200 3.436 1.972 4.236 0.028 24 0 "[ . 1 . 2 . 3]" 1
921 1 61 GLY H 1 61 GLY HA2 2.400 . 3.100 2.451 2.443 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 61 GLY H 1 62 HIS H 2.600 . 3.400 1.965 1.864 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 61 GLY HA2 1 62 HIS H 2.700 . 3.600 2.693 2.552 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 61 GLY HA2 1 63 LYS H 3.400 . 4.800 3.622 3.378 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 61 GLY HA3 1 62 HIS H 2.800 . 3.800 3.497 3.477 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 61 GLY HA3 1 97 VAL MG2 2.300 . 3.000 1.973 1.878 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 62 HIS H 1 62 HIS HA 2.600 . 3.400 2.959 2.953 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 62 HIS H 1 62 HIS HB3 2.400 . 3.100 3.146 2.924 3.846 0.746 13 1 "[ . 1 + . 2 . 3]" 1
929 1 62 HIS H 1 62 HIS HD2 2.800 . 5.500 1.846 1.563 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 62 HIS H 1 63 LYS H 3.200 . 5.500 2.016 1.899 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 62 HIS H 1 94 LEU MD2 3.000 . 4.100 2.358 2.130 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 62 HIS H 1 97 VAL MG2 3.200 . 4.500 4.130 4.017 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 62 HIS HA 1 62 HIS HB3 2.600 . 3.400 2.444 2.359 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 62 HIS HA 1 62 HIS HD2 3.300 . 4.700 3.996 3.633 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 62 HIS HA 1 63 LYS H 2.200 . 5.500 3.332 3.082 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 62 HIS HB2 1 63 LYS H 3.000 . 5.500 4.190 3.171 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 62 HIS HB3 1 62 HIS HD2 2.800 . 3.800 3.556 3.096 3.967 0.167 13 0 "[ . 1 . 2 . 3]" 1
938 1 62 HIS HB3 1 62 HIS HE1 3.300 . 5.500 4.959 4.716 5.186 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 62 HIS HB3 1 63 LYS H 2.600 . 5.500 4.319 4.065 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 62 HIS HB3 1 94 LEU MD2 2.600 . 5.500 4.893 4.682 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 62 HIS HD2 1 63 LYS H 3.800 . 5.500 2.423 1.974 4.244 0.026 3 0 "[ . 1 . 2 . 3]" 1
942 1 62 HIS HD2 1 94 LEU MD1 3.600 . 5.200 4.770 4.432 5.214 0.014 13 0 "[ . 1 . 2 . 3]" 1
943 1 62 HIS HD2 1 94 LEU MD2 3.100 . 4.300 2.895 2.611 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 63 LYS H 1 63 LYS HA 2.500 . 3.300 2.934 2.907 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 63 LYS H 1 63 LYS HB2 2.800 . 3.800 2.675 2.412 3.358 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 63 LYS H 1 63 LYS HB3 2.700 . 3.600 3.717 2.356 3.944 0.344 27 0 "[ . 1 . 2 . 3]" 1
947 1 63 LYS H 1 63 LYS QG 2.700 . 3.600 3.145 2.599 3.687 0.087 6 0 "[ . 1 . 2 . 3]" 1
948 1 63 LYS H 1 68 PHE QE 3.700 . 5.500 5.222 5.003 5.461 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 63 LYS H 1 94 LEU HB2 2.700 . 5.500 4.677 4.551 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 63 LYS H 1 94 LEU MD2 2.900 . 4.000 1.857 1.797 2.049 0.003 2 0 "[ . 1 . 2 . 3]" 1
951 1 63 LYS HA 1 63 LYS HB3 2.600 . 3.400 2.527 2.379 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 63 LYS HA 1 64 ALA H 2.000 . 2.500 2.301 2.182 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 63 LYS HB2 1 64 ALA H 2.800 . 5.500 4.505 4.317 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 63 LYS HB3 1 64 ALA H 2.600 . 5.500 4.120 4.023 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 63 LYS HB3 1 94 LEU MD2 3.100 . 4.300 3.566 3.129 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 64 ALA H 1 64 ALA HA 2.600 . 3.400 2.803 2.798 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 64 ALA H 1 64 ALA MB 2.000 . 2.500 2.124 2.025 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 64 ALA H 1 65 GLY H 3.300 . 4.700 4.262 4.211 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 64 ALA H 1 66 GLU H 3.900 . 5.500 5.268 5.173 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 64 ALA H 1 94 LEU MD2 2.800 . 3.800 3.562 3.367 3.817 0.017 16 0 "[ . 1 . 2 . 3]" 1
961 1 64 ALA H 1 97 VAL HB 3.300 . 5.500 5.515 5.472 5.556 0.056 6 0 "[ . 1 . 2 . 3]" 1
962 1 64 ALA H 1 97 VAL MG1 2.400 . 3.100 3.202 3.158 3.228 0.128 25 0 "[ . 1 . 2 . 3]" 1
963 1 64 ALA HA 1 64 ALA MB 2.000 . 2.500 2.107 2.087 2.131 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 64 ALA HA 1 65 GLY H 2.000 . 2.500 2.235 2.200 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 64 ALA HA 1 97 VAL H 3.700 . 5.400 3.920 3.772 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 64 ALA MB 1 65 GLY H 2.300 . 5.500 3.540 3.472 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 64 ALA MB 1 66 GLU H 2.900 . 5.500 5.074 4.989 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 64 ALA MB 1 94 LEU MD2 2.300 . 5.500 3.986 3.766 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 64 ALA MB 1 96 LYS H 3.100 . 5.500 4.867 4.487 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 64 ALA MB 1 96 LYS HA 2.200 . 5.500 3.400 3.011 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 64 ALA MB 1 97 VAL H 2.900 . 4.000 3.033 2.867 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 65 GLY H 1 65 GLY HA2 2.700 . 3.600 2.401 2.379 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 65 GLY H 1 65 GLY HA3 2.400 . 3.100 2.944 2.935 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 65 GLY H 1 66 GLU H 2.300 . 3.000 2.171 2.102 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 65 GLY H 1 94 LEU H 3.500 . 5.000 4.693 4.487 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 65 GLY H 1 94 LEU HB2 2.900 . 5.500 4.518 4.382 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 65 GLY H 1 94 LEU MD2 3.100 . 4.300 3.652 3.471 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 65 GLY H 1 95 LYS H 4.500 . 5.500 3.393 3.256 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 65 GLY H 1 95 LYS HA 2.800 . 3.800 2.008 1.943 2.135 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 65 GLY H 1 97 VAL MG1 3.300 . 4.700 4.482 4.310 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 65 GLY HA2 1 66 GLU H 3.600 . 5.200 2.870 2.834 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 65 GLY HA3 1 66 GLU H 2.600 . 3.400 3.520 3.501 3.533 0.133 30 0 "[ . 1 . 2 . 3]" 1
983 1 66 GLU H 1 66 GLU HA 2.500 . 3.300 2.928 2.917 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 66 GLU H 1 66 GLU HB3 2.200 . 2.800 2.764 2.449 3.036 0.236 20 0 "[ . 1 . 2 . 3]" 1
985 1 66 GLU H 1 66 GLU HG2 2.400 . 5.500 4.571 4.373 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 66 GLU H 1 67 GLU H 3.300 . 4.700 4.545 4.520 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 66 GLU H 1 68 PHE QD 3.100 . 5.500 4.999 4.799 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 66 GLU H 1 93 ASN HA 4.000 . 5.500 4.648 4.558 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 66 GLU H 1 93 ASN QB 3.900 . 5.500 5.047 4.632 5.557 0.057 8 0 "[ . 1 . 2 . 3]" 1
990 1 66 GLU H 1 94 LEU H 3.100 . 4.300 3.221 3.097 3.281 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 66 GLU H 1 94 LEU MD1 3.500 . 5.000 4.811 4.639 5.021 0.021 26 0 "[ . 1 . 2 . 3]" 1
992 1 66 GLU H 1 94 LEU MD2 3.300 . 4.700 3.744 3.592 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 66 GLU HA 1 66 GLU HB3 2.800 . 3.800 2.985 2.926 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 66 GLU HA 1 67 GLU H 1.900 . 2.400 2.393 2.240 2.430 0.030 3 0 "[ . 1 . 2 . 3]" 1
995 1 66 GLU HA 1 68 PHE QD 3.400 . 4.800 4.718 4.626 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 66 GLU HB3 1 67 GLU H 2.800 . 3.800 3.267 2.866 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 66 GLU HB3 1 68 PHE H 3.200 . 5.500 4.587 4.153 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 66 GLU HB3 1 68 PHE QD 2.300 . 3.000 2.456 2.136 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 66 GLU HB3 1 68 PHE QE 2.400 . 3.100 2.614 2.302 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 66 GLU HG2 1 67 GLU H 2.400 . 3.100 2.713 1.854 4.027 0.927 17 2 "[ . 1 . + 2 . - 3]" 1
1001 1 66 GLU HG2 1 68 PHE H 3.500 . 5.000 5.170 3.648 5.880 0.880 28 7 "[ . 1* . * 2 * * -+*3]" 1
1002 1 67 GLU H 1 67 GLU HA 2.600 . 3.400 2.936 2.925 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 67 GLU H 1 67 GLU HB2 2.600 . 3.400 3.401 2.643 3.857 0.457 11 0 "[ . 1 . 2 . 3]" 1
1004 1 67 GLU H 1 67 GLU HB3 2.500 . 3.300 3.262 2.694 3.884 0.584 29 4 "[ . 1 . * - . *+3]" 1
1005 1 67 GLU HA 1 67 GLU HB2 2.800 . 3.800 2.608 2.449 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 67 GLU HA 1 67 GLU HB3 2.500 . 3.300 2.592 2.355 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 67 GLU HA 1 67 GLU HG2 3.300 . 4.700 3.305 2.339 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 67 GLU HA 1 68 PHE H 1.900 . 2.400 2.176 2.141 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 67 GLU HA 1 68 PHE QD 3.500 . 5.000 3.918 3.652 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 67 GLU HA 1 68 PHE QE 3.400 . 4.800 4.818 4.683 4.863 0.063 28 0 "[ . 1 . 2 . 3]" 1
1011 1 67 GLU HA 1 93 ASN HA 2.600 . 3.000 1.914 1.806 2.184 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 67 GLU HA 1 93 ASN QB 3.600 . 5.200 2.975 2.663 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 67 GLU HA 1 94 LEU H 2.800 . 3.800 3.549 3.396 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 67 GLU HB2 1 68 PHE H 3.000 . 4.100 4.108 3.679 4.623 0.523 13 1 "[ . 1 + . 2 . 3]" 1
1015 1 67 GLU HB2 1 93 ASN HA 3.000 . 4.100 4.301 3.853 4.920 0.820 17 5 "[ . 1 . +- * . **3]" 1
1016 1 67 GLU HB3 1 68 PHE H 2.500 . 5.500 4.277 3.675 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 67 GLU HB3 1 68 PHE QD 4.000 . 5.500 5.722 5.449 5.883 0.383 14 0 "[ . 1 . 2 . 3]" 1
1018 1 68 PHE H 1 68 PHE HB2 3.100 . 4.300 3.797 3.779 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 68 PHE H 1 68 PHE HB3 3.100 . 4.300 3.312 3.222 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 68 PHE H 1 68 PHE QD 2.400 . 3.100 2.946 2.645 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 68 PHE H 1 68 PHE QE 3.000 . 4.100 4.046 3.900 4.111 0.011 14 0 "[ . 1 . 2 . 3]" 1
1022 1 68 PHE H 1 69 THR H 3.300 . 4.700 4.450 4.436 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 68 PHE H 1 91 ALA MB 3.400 . 5.500 5.280 4.833 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 68 PHE H 1 92 ILE H 3.200 . 4.500 4.111 4.021 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 68 PHE H 1 92 ILE MG 3.200 . 4.000 4.281 4.062 4.350 0.350 11 0 "[ . 1 . 2 . 3]" 1
1026 1 68 PHE H 1 93 ASN HA 2.400 . 3.100 2.702 2.587 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 68 PHE H 1 94 LEU H 3.200 . 4.500 3.860 3.713 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 68 PHE HA 1 68 PHE HB2 2.300 . 3.000 2.521 2.505 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 68 PHE HA 1 68 PHE HB3 2.300 . 3.000 2.395 2.385 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 68 PHE HA 1 69 THR H 2.100 . 2.700 2.437 2.424 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 68 PHE HB2 1 68 PHE QD 2.200 . 2.800 2.415 2.362 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 68 PHE HB2 1 68 PHE QE 3.300 . 4.700 4.408 4.390 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 68 PHE HB2 1 69 THR H 2.300 . 3.000 2.349 2.318 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 68 PHE HB2 1 70 ILE H 4.300 . 5.500 5.295 5.041 5.439 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 68 PHE HB3 1 68 PHE QD 2.200 . 2.800 2.333 2.317 2.382 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 68 PHE HB3 1 68 PHE QE 3.200 . 4.500 4.381 4.369 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 68 PHE HB3 1 69 THR H 2.400 . 5.500 3.650 3.621 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 68 PHE QD 1 69 THR H 2.500 . 3.300 3.355 3.329 3.396 0.096 1 0 "[ . 1 . 2 . 3]" 1
1039 1 68 PHE QD 1 69 THR HA 3.200 . 4.500 3.466 3.315 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 68 PHE QD 1 69 THR MG 3.700 . 5.400 5.080 4.812 5.146 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 68 PHE QD 1 70 ILE H 3.600 . 5.200 3.703 3.410 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 68 PHE QD 1 70 ILE MD 3.400 . 4.800 2.291 2.106 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 68 PHE QD 1 70 ILE QG 3.200 . 4.500 4.103 2.138 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 68 PHE QD 1 70 ILE MG 2.700 . 3.600 2.172 1.973 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 68 PHE QD 1 92 ILE H 3.500 . 5.000 3.527 3.236 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 68 PHE QD 1 92 ILE HB 3.100 . 4.300 3.229 3.089 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 68 PHE QD 1 92 ILE MD 3.900 . 5.500 4.508 4.355 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 68 PHE QD 1 92 ILE MG 2.900 . 5.500 4.276 3.837 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 68 PHE QD 1 94 LEU H 3.600 . 5.200 3.488 3.172 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 68 PHE QD 1 94 LEU MD2 4.300 . 5.500 4.709 4.613 4.802 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 68 PHE QE 1 69 THR HA 3.900 . 5.500 5.056 4.936 5.151 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 68 PHE QE 1 70 ILE MD 3.100 . 4.300 2.195 1.965 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 68 PHE QE 1 70 ILE QG 2.900 . 4.000 3.552 2.722 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 68 PHE QE 1 70 ILE MG 2.700 . 3.600 2.864 2.586 4.422 0.822 16 1 "[ . 1 .+ 2 . 3]" 1
1055 1 68 PHE QE 1 72 VAL QG 3.400 . 5.500 5.465 5.213 5.613 0.113 16 0 "[ . 1 . 2 . 3]" 1
1056 1 68 PHE QE 1 92 ILE H 4.200 . 5.500 4.039 3.501 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 68 PHE QE 1 92 ILE HB 3.200 . 4.500 2.254 1.849 2.442 0.051 14 0 "[ . 1 . 2 . 3]" 1
1058 1 68 PHE QE 1 92 ILE MD 2.600 . 3.400 2.974 2.791 3.562 0.162 14 0 "[ . 1 . 2 . 3]" 1
1059 1 68 PHE QE 1 92 ILE MG 2.500 . 3.300 3.060 2.389 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 68 PHE QE 1 93 ASN H 4.300 . 5.500 4.856 4.678 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 68 PHE QE 1 93 ASN HA 3.100 . 4.300 3.990 3.660 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 68 PHE QE 1 93 ASN QB 3.100 . 5.500 5.490 5.328 5.552 0.052 4 0 "[ . 1 . 2 . 3]" 1
1063 1 68 PHE QE 1 94 LEU H 3.000 . 4.100 2.369 2.008 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 68 PHE QE 1 94 LEU HA 2.800 . 3.800 3.769 3.456 3.882 0.082 14 0 "[ . 1 . 2 . 3]" 1
1065 1 68 PHE QE 1 94 LEU MD1 2.700 . 5.500 3.255 3.063 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 68 PHE QE 1 94 LEU MD2 2.500 . 3.300 3.192 3.068 3.329 0.029 13 0 "[ . 1 . 2 . 3]" 1
1067 1 68 PHE QE 1 94 LEU HG 2.400 . 5.500 4.551 4.443 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 69 THR H 1 69 THR HA 2.500 . 3.300 2.938 2.931 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 69 THR H 1 69 THR HB 2.200 . 2.800 2.733 2.664 2.885 0.085 5 0 "[ . 1 . 2 . 3]" 1
1070 1 69 THR H 1 69 THR MG 2.900 . 4.000 3.854 2.350 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 69 THR H 1 70 ILE H 3.300 . 4.700 4.307 4.178 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 69 THR H 1 92 ILE H 4.900 . 5.500 4.657 4.551 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 69 THR HA 1 69 THR MG 2.200 . 2.800 2.379 2.236 3.215 0.415 5 0 "[ . 1 . 2 . 3]" 1
1074 1 69 THR HA 1 70 ILE H 2.100 . 2.700 2.181 2.136 2.208 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 69 THR HA 1 70 ILE MG 2.900 . 4.000 3.681 3.495 4.715 0.715 16 1 "[ . 1 .+ 2 . 3]" 1
1076 1 69 THR HA 1 91 ALA H 3.900 . 5.500 4.642 4.590 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 69 THR HA 1 91 ALA HA 2.600 . 3.000 1.781 1.719 1.867 0.081 14 0 "[ . 1 . 2 . 3]" 1
1078 1 69 THR HA 1 91 ALA MB 2.600 . 3.400 3.123 2.824 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 69 THR HA 1 92 ILE H 2.500 . 3.300 2.392 2.220 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 69 THR HB 1 69 THR MG 2.000 . 2.500 2.094 2.070 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 69 THR HB 1 70 ILE H 2.800 . 5.500 4.205 4.082 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 69 THR MG 1 70 ILE H 2.500 . 3.300 2.755 2.524 3.812 0.512 5 1 "[ + 1 . 2 . 3]" 1
1083 1 69 THR MG 1 90 PHE H 3.000 . 5.500 3.915 3.697 5.748 0.248 5 0 "[ . 1 . 2 . 3]" 1
1084 1 69 THR MG 1 91 ALA MB 2.600 . 3.400 2.145 1.905 3.757 0.357 5 0 "[ . 1 . 2 . 3]" 1
1085 1 70 ILE H 1 70 ILE HA 2.600 . 3.400 2.944 2.930 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 70 ILE H 1 70 ILE HB 3.000 . 4.100 3.885 3.649 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 70 ILE H 1 70 ILE MD 3.000 . 5.500 1.888 1.725 1.957 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 70 ILE H 1 70 ILE QG 2.600 . 5.500 3.069 2.798 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 70 ILE H 1 70 ILE MG 2.400 . 3.100 2.923 2.722 3.763 0.663 16 1 "[ . 1 .+ 2 . 3]" 1
1090 1 70 ILE H 1 71 ASP H 4.100 . 5.500 4.444 4.397 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 70 ILE H 1 90 PHE H 3.400 . 4.800 3.945 3.803 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 70 ILE H 1 90 PHE HB2 3.600 . 5.200 3.931 3.776 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 70 ILE H 1 90 PHE HB3 3.200 . 5.500 4.908 4.579 6.084 0.584 25 1 "[ . 1 . 2 + 3]" 1
1094 1 70 ILE H 1 90 PHE QD 3.700 . 5.400 5.571 5.396 5.621 0.221 11 0 "[ . 1 . 2 . 3]" 1
1095 1 70 ILE H 1 91 ALA HA 2.800 . 3.800 2.915 2.734 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 70 ILE H 1 92 ILE MD 3.300 . 4.700 4.421 3.505 4.684 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 70 ILE HA 1 70 ILE HB 2.100 . 2.700 2.407 2.370 2.731 0.031 16 0 "[ . 1 . 2 . 3]" 1
1098 1 70 ILE HA 1 70 ILE MD 2.800 . 3.800 3.525 3.455 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 70 ILE HA 1 70 ILE MG 2.000 . 2.500 2.398 1.996 2.509 0.009 24 0 "[ . 1 . 2 . 3]" 1
1100 1 70 ILE HA 1 71 ASP H 1.900 . 2.400 2.424 2.365 2.438 0.038 16 0 "[ . 1 . 2 . 3]" 1
1101 1 70 ILE HA 1 71 ASP HA 3.700 . 5.400 4.351 4.329 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 70 ILE HA 1 71 ASP HB2 3.000 . 5.500 5.049 4.180 5.753 0.253 14 0 "[ . 1 . 2 . 3]" 1
1103 1 70 ILE HA 1 90 PHE H 3.700 . 5.400 5.220 5.051 5.443 0.043 25 0 "[ . 1 . 2 . 3]" 1
1104 1 70 ILE HB 1 70 ILE QG 2.200 . 2.800 2.190 2.182 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 70 ILE HB 1 71 ASP H 2.200 . 2.800 2.331 2.196 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 70 ILE MD 1 71 ASP H 3.200 . 4.500 4.361 3.905 4.500 0.000 25 0 "[ . 1 . 2 . 3]" 1
1107 1 70 ILE MD 1 90 PHE H 3.000 . 4.100 3.931 3.646 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 70 ILE MD 1 90 PHE QD 2.800 . 3.800 3.747 3.429 3.846 0.046 7 0 "[ . 1 . 2 . 3]" 1
1109 1 70 ILE MD 1 91 ALA H 3.200 . 4.500 4.526 4.324 4.607 0.107 12 0 "[ . 1 . 2 . 3]" 1
1110 1 70 ILE MD 1 92 ILE HG12 2.600 . 3.400 3.088 2.698 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 70 ILE MD 1 93 ASN H 3.700 . 5.400 5.439 5.335 5.504 0.104 16 0 "[ . 1 . 2 . 3]" 1
1112 1 70 ILE QG 1 71 ASP H 3.400 . 4.500 3.278 3.167 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 70 ILE QG 1 72 VAL QG 3.500 . 5.000 2.387 2.224 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 70 ILE QG 1 92 ILE MD 3.100 . 4.300 3.158 2.974 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 70 ILE QG 1 92 ILE MG 3.300 . 4.700 5.071 4.640 5.211 0.511 30 1 "[ . 1 . 2 . +]" 1
1116 1 70 ILE MG 1 71 ASP H 2.600 . 5.500 3.711 2.628 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 71 ASP H 1 71 ASP HA 2.600 . 3.400 2.924 2.919 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 71 ASP H 1 71 ASP HB2 2.300 . 3.000 2.996 2.216 3.655 0.655 10 14 "[*** .-***+* **.* *2 * . 3]" 1
1119 1 71 ASP H 1 71 ASP HB3 2.500 . 5.500 3.092 2.522 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 71 ASP HA 1 71 ASP HB2 2.500 . 3.300 2.690 2.470 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 71 ASP HA 1 71 ASP HB3 2.300 . 3.000 2.602 2.408 3.030 0.030 29 0 "[ . 1 . 2 . 3]" 1
1122 1 71 ASP HA 1 72 VAL H 1.900 . 2.400 2.323 2.306 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 71 ASP HA 1 89 LYS HA 2.600 . 3.000 2.455 2.317 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 71 ASP HB2 1 72 VAL H 3.100 . 4.300 3.511 2.768 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 71 ASP HB3 1 72 VAL H 2.900 . 4.000 3.546 2.779 4.047 0.047 14 0 "[ . 1 . 2 . 3]" 1
1126 1 72 VAL H 1 72 VAL HA 2.700 . 3.600 2.912 2.896 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 72 VAL H 1 72 VAL HB 2.900 . 4.000 3.689 2.797 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 72 VAL H 1 72 VAL QG 2.400 . 3.100 2.312 2.008 3.129 0.029 29 0 "[ . 1 . 2 . 3]" 1
1129 1 72 VAL H 1 88 ALA H 4.000 . 5.000 4.005 3.868 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 72 VAL H 1 88 ALA MB 3.900 . 5.500 4.367 4.239 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 72 VAL H 1 89 LYS HG3 3.400 . 4.800 4.095 3.520 5.395 0.595 26 2 "[ - 1 . 2 .+ 3]" 1
1132 1 72 VAL H 1 90 PHE H 2.800 . 3.800 3.901 3.861 3.928 0.128 22 0 "[ . 1 . 2 . 3]" 1
1133 1 72 VAL HA 1 72 VAL HB 2.200 . 2.800 2.638 2.449 2.973 0.173 12 0 "[ . 1 . 2 . 3]" 1
1134 1 72 VAL HA 1 73 THR H 1.900 . 2.400 2.196 2.163 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 72 VAL HB 1 73 THR H 3.500 . 5.000 3.293 2.717 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 72 VAL QG 1 73 THR H 2.500 . 3.300 3.241 2.346 3.397 0.097 9 0 "[ . 1 . 2 . 3]" 1
1137 1 72 VAL QG 1 73 THR HA 3.400 . 4.800 3.958 3.066 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 72 VAL QG 1 74 PHE H 3.600 . 5.200 4.925 3.755 5.212 0.012 4 0 "[ . 1 . 2 . 3]" 1
1139 1 72 VAL QG 1 87 ALA HA 3.100 . 5.500 4.830 4.507 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 72 VAL QG 1 88 ALA H 2.800 . 3.800 3.371 3.105 3.849 0.049 12 0 "[ . 1 . 2 . 3]" 1
1141 1 72 VAL QG 1 88 ALA MB 2.200 . 5.500 2.922 2.490 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 72 VAL QG 1 89 LYS H 3.800 . 5.500 4.073 3.595 5.532 0.032 24 0 "[ . 1 . 2 . 3]" 1
1143 1 72 VAL QG 1 90 PHE H 3.600 . 5.200 3.165 2.853 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 72 VAL QG 1 90 PHE QD 2.400 . 5.500 2.468 2.243 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 73 THR H 1 73 THR HA 2.600 . 3.400 2.888 2.876 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 73 THR H 1 73 THR HB 2.200 . 2.800 2.792 2.739 2.842 0.042 23 0 "[ . 1 . 2 . 3]" 1
1147 1 73 THR H 1 74 PHE H 3.300 . 4.700 4.058 4.020 4.105 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 73 THR H 1 87 ALA MB 4.000 . 5.500 5.418 5.204 5.519 0.019 15 0 "[ . 1 . 2 . 3]" 1
1149 1 73 THR H 1 88 ALA H 3.700 . 5.400 4.565 4.433 4.866 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 73 THR HA 1 73 THR HB 2.900 . 4.000 3.021 3.010 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 73 THR HA 1 73 THR MG 2.100 . 2.700 2.511 2.428 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 73 THR HA 1 74 PHE H 2.100 . 2.700 2.177 2.161 2.191 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 73 THR HA 1 74 PHE HB2 3.300 . 4.700 4.465 4.410 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 73 THR HA 1 74 PHE QD 3.100 . 4.300 2.960 2.900 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 73 THR HA 1 86 LYS H 3.800 . 5.500 4.797 4.711 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 73 THR HA 1 87 ALA H 3.100 . 4.300 4.291 4.232 4.338 0.038 24 0 "[ . 1 . 2 . 3]" 1
1157 1 73 THR HA 1 87 ALA HA 2.600 . 3.000 1.867 1.785 1.965 0.015 25 0 "[ . 1 . 2 . 3]" 1
1158 1 73 THR HA 1 88 ALA H 2.400 . 3.100 2.553 2.426 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 73 THR HB 1 73 THR MG 1.900 . 2.400 2.091 2.077 2.113 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 73 THR HB 1 74 PHE H 3.300 . 4.700 4.364 4.315 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 73 THR HB 1 88 ALA H 3.800 . 5.500 4.707 4.502 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 73 THR MG 1 74 PHE H 2.100 . 2.700 2.714 2.639 2.777 0.077 18 0 "[ . 1 . 2 . 3]" 1
1163 1 73 THR MG 1 86 LYS H 3.300 . 4.700 4.710 4.595 4.794 0.094 18 0 "[ . 1 . 2 . 3]" 1
1164 1 73 THR MG 1 87 ALA HA 2.700 . 3.600 2.269 1.999 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 73 THR MG 1 88 ALA H 3.100 . 4.300 4.038 3.842 4.282 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 74 PHE H 1 74 PHE HA 2.600 . 3.400 2.880 2.875 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 74 PHE H 1 74 PHE HB2 2.400 . 3.100 2.324 2.290 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 74 PHE H 1 74 PHE HB3 2.600 . 5.500 3.570 3.558 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 74 PHE H 1 74 PHE QD 2.400 . 3.100 1.990 1.932 2.112 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 74 PHE H 1 85 GLY H 3.300 . 5.500 5.168 5.033 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 74 PHE H 1 86 LYS H 2.900 . 4.000 3.031 2.968 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 74 PHE H 1 86 LYS QB 3.500 . 5.000 3.759 3.391 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 74 PHE H 1 87 ALA H 3.900 . 5.500 4.227 4.146 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 74 PHE H 1 87 ALA HA 2.700 . 3.600 3.170 3.055 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 74 PHE H 1 87 ALA MB 3.200 . 4.500 4.134 3.953 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 74 PHE H 1 88 ALA H 3.100 . 4.300 4.270 4.102 4.331 0.031 3 0 "[ . 1 . 2 . 3]" 1
1177 1 74 PHE HA 1 74 PHE HB3 2.500 . 3.300 2.532 2.517 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 74 PHE HA 1 74 PHE QD 2.500 . 3.300 3.038 2.990 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 74 PHE HA 1 75 PRO HD2 3.500 . 5.000 2.109 2.045 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 74 PHE HA 1 78 TYR QD 3.200 . 4.500 4.546 4.502 4.568 0.068 2 0 "[ . 1 . 2 . 3]" 1
1181 1 74 PHE HA 1 86 LYS H 3.300 . 4.700 4.738 4.708 4.769 0.069 4 0 "[ . 1 . 2 . 3]" 1
1182 1 74 PHE HB2 1 74 PHE QD 2.300 . 3.000 2.635 2.590 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 74 PHE HB2 1 79 HIS HD2 3.500 . 5.000 4.504 4.167 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 74 PHE HB2 1 85 GLY H 2.900 . 4.000 3.042 2.877 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 74 PHE HB2 1 86 LYS H 2.400 . 5.500 1.830 1.772 1.869 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 74 PHE HB2 1 86 LYS QB 3.300 . 4.700 3.509 3.022 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 74 PHE HB3 1 74 PHE QD 2.300 . 3.000 2.251 2.246 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 74 PHE HB3 1 78 TYR QD 2.900 . 4.000 3.661 3.506 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 74 PHE HB3 1 78 TYR QE 3.700 . 5.400 5.088 4.921 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 74 PHE HB3 1 79 HIS HD2 3.300 . 4.700 4.077 3.857 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 74 PHE HB3 1 85 GLY H 2.800 . 3.800 3.077 2.899 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 74 PHE HB3 1 85 GLY HA2 2.400 . 3.100 3.349 2.941 3.532 0.432 1 0 "[ . 1 . 2 . 3]" 1
1193 1 74 PHE HB3 1 86 LYS H 2.600 . 3.400 3.427 3.289 3.506 0.106 30 0 "[ . 1 . 2 . 3]" 1
1194 1 74 PHE QD 1 78 TYR HB2 2.700 . 3.600 3.393 3.059 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 74 PHE QD 1 78 TYR HB3 3.600 . 5.200 2.681 2.383 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 74 PHE QD 1 78 TYR QD 2.900 . 4.000 2.633 2.556 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 74 PHE QD 1 79 HIS HD2 1.700 . 5.500 5.501 5.357 5.559 0.059 22 0 "[ . 1 . 2 . 3]" 1
1198 1 74 PHE QD 1 83 LEU QD 3.000 . 3.800 2.457 2.340 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 74 PHE QD 1 84 LYS HA 3.300 . 4.700 4.651 4.512 4.730 0.030 27 0 "[ . 1 . 2 . 3]" 1
1200 1 74 PHE QD 1 85 GLY H 4.300 . 5.500 4.314 4.178 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 74 PHE QD 1 86 LYS H 2.800 . 3.800 3.405 3.258 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 74 PHE QD 1 86 LYS QB 2.500 . 3.300 3.220 2.759 3.397 0.097 25 0 "[ . 1 . 2 . 3]" 1
1203 1 74 PHE QD 1 86 LYS HG3 4.000 . 5.500 5.734 5.261 6.139 0.639 20 3 "[ . 1 . + - * 3]" 1
1204 1 74 PHE QD 1 87 ALA H 3.700 . 5.400 5.412 5.347 5.446 0.046 6 0 "[ . 1 . 2 . 3]" 1
1205 1 74 PHE QD 1 87 ALA MB 4.200 . 5.500 5.417 5.298 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 74 PHE QD 1 88 ALA H 3.500 . 5.000 4.462 4.343 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 74 PHE QE 1 83 LEU QD 4.000 . 5.000 2.471 2.437 2.512 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 74 PHE HZ 1 83 LEU QD 3.200 . 4.000 2.927 2.761 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 75 PRO HA 1 75 PRO HB3 2.700 . 3.600 2.289 2.281 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 75 PRO HA 1 76 GLU H 2.100 . 2.700 2.505 2.438 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 75 PRO HB2 1 75 PRO HD3 3.400 . 4.800 3.903 3.892 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 75 PRO HB2 1 75 PRO HG2 2.500 . 3.300 2.320 2.311 2.332 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 75 PRO HB2 1 76 GLU H 2.700 . 3.600 2.308 2.140 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 75 PRO HB2 1 77 GLU H 2.800 . 3.800 2.144 2.093 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 75 PRO HB2 1 78 TYR H 3.200 . 4.500 3.338 3.107 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 75 PRO HB2 1 78 TYR HB2 3.200 . 4.500 4.463 4.320 4.713 0.213 22 0 "[ . 1 . 2 . 3]" 1
1217 1 75 PRO HB2 1 79 HIS HD2 3.300 . 5.500 5.841 5.798 5.869 0.369 28 0 "[ . 1 . 2 . 3]" 1
1218 1 75 PRO HD2 1 75 PRO HG3 2.500 . 3.300 2.694 2.683 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 75 PRO HD3 1 75 PRO HG2 2.900 . 4.000 2.985 2.976 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 75 PRO HD3 1 75 PRO HG3 2.700 . 3.600 2.307 2.294 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 75 PRO HD3 1 78 TYR QD 3.000 . 4.100 4.577 4.286 4.750 0.650 8 11 "[ .* + * .** -2 * **** 3]" 1
1222 1 75 PRO HG2 1 78 TYR H 4.000 . 5.500 2.254 2.005 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 75 PRO HG2 1 78 TYR HB2 2.700 . 3.600 2.321 2.045 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 75 PRO HG2 1 78 TYR QD 2.800 . 3.800 3.771 3.724 3.832 0.032 4 0 "[ . 1 . 2 . 3]" 1
1225 1 75 PRO HG2 1 78 TYR QE 4.500 . 5.500 5.999 5.959 6.052 0.552 4 13 "[ *+.** *1 ** * - . ****]" 1
1226 1 76 GLU H 1 76 GLU HA 2.300 . 3.000 2.859 2.841 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 76 GLU H 1 76 GLU HB2 2.100 . 2.700 2.611 2.074 3.608 0.908 8 8 "[ ** + 1 * * 2- * * 3]" 1
1228 1 76 GLU H 1 76 GLU HB3 2.400 . 3.100 3.061 2.567 3.605 0.505 30 1 "[ . 1 . 2 . +]" 1
1229 1 76 GLU H 1 77 GLU H 2.500 . 3.300 2.536 2.476 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 76 GLU H 1 78 TYR H 3.700 . 5.400 4.298 4.127 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 76 GLU HA 1 77 GLU H 2.800 . 3.800 3.368 3.301 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 76 GLU HA 1 78 TYR H 3.100 . 4.300 4.281 4.117 4.392 0.092 9 0 "[ . 1 . 2 . 3]" 1
1233 1 76 GLU HA 1 79 HIS HB3 2.700 . 5.500 5.486 5.184 6.169 0.669 9 1 "[ . +1 . 2 . 3]" 1
1234 1 76 GLU HA 1 79 HIS HD2 2.600 . 3.400 2.973 2.813 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 76 GLU HA 1 85 GLY H 2.800 . 5.500 5.008 4.820 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 76 GLU HB3 1 77 GLU H 3.200 . 4.500 3.843 3.208 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 77 GLU H 1 77 GLU HA 2.300 . 3.000 2.901 2.896 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 77 GLU H 1 77 GLU QB 2.400 . 3.100 2.747 2.613 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 77 GLU H 1 77 GLU HG2 2.100 . 2.700 2.117 1.770 3.269 0.569 22 1 "[ . 1 . 2 + . 3]" 1
1240 1 77 GLU H 1 77 GLU HG3 2.400 . 3.100 3.064 2.087 3.566 0.466 9 0 "[ . 1 . 2 . 3]" 1
1241 1 77 GLU H 1 78 TYR H 2.500 . 3.300 2.308 2.240 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 77 GLU HA 1 77 GLU QB 2.400 . 3.100 2.196 2.163 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 77 GLU HA 1 77 GLU HG2 2.700 . 3.600 3.443 2.682 4.215 0.615 22 1 "[ . 1 . 2 + . 3]" 1
1244 1 77 GLU HA 1 78 TYR H 2.500 . 5.500 3.508 3.487 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 77 GLU QB 1 77 GLU HG2 2.400 . 3.100 2.443 2.136 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 77 GLU QB 1 78 TYR H 2.900 . 4.000 3.270 2.648 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 77 GLU HG3 1 78 TYR H 2.700 . 3.600 3.258 1.946 4.537 0.937 27 3 "[ . 1 - 2* . + 3]" 1
1248 1 78 TYR H 1 78 TYR HA 2.300 . 3.000 2.837 2.815 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 78 TYR H 1 78 TYR HB2 2.200 . 2.800 2.289 2.158 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 78 TYR H 1 78 TYR HB3 2.400 . 3.100 2.826 2.750 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 78 TYR H 1 78 TYR QD 2.500 . 5.500 4.097 3.900 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 78 TYR HA 1 78 TYR QD 2.100 . 5.500 3.062 2.624 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 78 TYR HA 1 78 TYR QE 2.700 . 5.500 4.571 4.407 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 78 TYR HA 1 80 ALA H 3.900 . 5.500 5.071 4.386 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 78 TYR HB2 1 78 TYR QD 2.100 . 2.700 2.286 2.261 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 78 TYR HB2 1 79 HIS H 4.700 . 5.500 3.350 3.098 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 78 TYR HB2 1 80 ALA H 3.600 . 5.500 5.470 4.885 6.034 0.534 9 1 "[ . +1 . 2 . 3]" 1
1258 1 78 TYR HB2 1 85 GLY H 3.200 . 5.500 5.173 4.720 5.740 0.240 1 0 "[ . 1 . 2 . 3]" 1
1259 1 78 TYR HB3 1 78 TYR QD 2.300 . 3.000 2.557 2.487 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 78 TYR HB3 1 78 TYR QE 3.400 . 4.800 4.459 4.431 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 78 TYR HB3 1 80 ALA H 3.700 . 5.400 3.890 3.233 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 78 TYR HB3 1 84 LYS HA 2.700 . 5.500 4.271 3.896 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 78 TYR HB3 1 85 GLY H 3.500 . 5.000 3.539 3.196 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 78 TYR QD 1 80 ALA H 2.100 . 2.700 2.365 2.143 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 78 TYR QD 1 80 ALA HA 3.300 . 4.700 3.849 3.641 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 78 TYR QD 1 80 ALA MB 2.700 . 3.600 2.331 2.093 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 78 TYR QD 1 83 LEU QD 2.300 . 3.000 3.000 2.903 3.043 0.043 6 0 "[ . 1 . 2 . 3]" 1
1268 1 78 TYR QD 1 84 LYS HA 2.800 . 3.800 3.686 3.499 3.817 0.017 1 0 "[ . 1 . 2 . 3]" 1
1269 1 78 TYR QE 1 80 ALA H 3.000 . 4.100 3.903 3.604 4.113 0.013 22 0 "[ . 1 . 2 . 3]" 1
1270 1 78 TYR QE 1 80 ALA HA 3.400 . 4.800 4.360 3.906 4.809 0.009 1 0 "[ . 1 . 2 . 3]" 1
1271 1 78 TYR QE 1 80 ALA MB 1.900 . 2.400 2.037 1.781 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
1272 1 78 TYR QE 1 83 LEU QD 2.100 . 2.700 2.652 2.525 2.700 0.000 22 0 "[ . 1 . 2 . 3]" 1
1273 1 79 HIS H 1 79 HIS HA 2.900 . 4.000 2.328 2.275 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 79 HIS H 1 79 HIS HB2 3.600 . 5.200 3.085 2.305 3.212 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 79 HIS H 1 79 HIS HB3 3.600 . 5.200 3.921 3.557 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 79 HIS H 1 79 HIS HD2 4.100 . 5.500 2.310 2.119 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 79 HIS H 1 80 ALA H 3.600 . 5.200 3.444 3.151 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 79 HIS H 1 85 GLY H 1.700 . 5.500 2.842 2.559 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 79 HIS HA 1 79 HIS HB3 2.200 . 2.800 2.601 2.575 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 79 HIS HA 1 79 HIS HD2 3.000 . 4.100 2.396 2.279 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 79 HIS HA 1 80 ALA H 3.400 . 4.800 2.421 2.339 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 79 HIS HA 1 86 LYS H 3.600 . 5.200 5.084 4.857 5.258 0.058 1 0 "[ . 1 . 2 . 3]" 1
1283 1 79 HIS HB2 1 79 HIS HD2 2.800 . 3.800 3.556 3.456 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 79 HIS HB2 1 80 ALA H 4.000 . 5.500 4.567 4.438 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 79 HIS HB2 1 85 GLY H 3.000 . 5.500 4.775 4.595 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 79 HIS HB3 1 79 HIS HD2 2.800 . 5.500 3.820 3.787 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 79 HIS HB3 1 80 ALA H 3.900 . 5.500 4.231 4.160 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 79 HIS HB3 1 84 LYS HG2 2.700 . 5.500 4.997 4.429 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 79 HIS HD2 1 83 LEU QD 2.600 . 5.500 4.962 4.855 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 79 HIS HD2 1 86 LYS H 3.800 . 5.500 4.822 4.538 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 80 ALA H 1 80 ALA HA 2.900 . 4.000 2.893 2.860 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 80 ALA H 1 80 ALA MB 2.200 . 2.800 2.197 2.098 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 80 ALA H 1 81 GLU H 3.600 . 5.200 4.581 4.552 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 80 ALA H 1 83 LEU QD 4.200 . 5.500 2.565 2.406 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 80 ALA H 1 84 LYS HB3 4.300 . 5.500 2.888 2.699 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 80 ALA HA 1 80 ALA MB 2.000 . 2.500 2.104 2.085 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 80 ALA HA 1 81 GLU H 2.300 . 3.000 2.247 2.193 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 80 ALA HA 1 83 LEU QD 3.800 . 5.500 4.021 3.825 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 80 ALA MB 1 81 GLU H 2.500 . 3.300 2.809 2.626 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 80 ALA MB 1 82 ASN H 3.000 . 4.100 2.519 2.301 2.725 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 80 ALA MB 1 83 LEU QD 2.100 . 2.700 1.783 1.675 2.031 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 80 ALA MB 1 83 LEU HG 2.500 . 5.500 4.043 3.847 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 80 ALA MB 1 84 LYS H 2.500 . 3.300 3.233 3.015 3.324 0.024 5 0 "[ . 1 . 2 . 3]" 1
1304 1 81 GLU H 1 81 GLU HA 2.500 . 3.300 2.745 2.697 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 81 GLU H 1 81 GLU HB2 2.300 . 3.000 2.492 2.048 3.587 0.587 1 5 "[+ * . 1 . 2* .- *3]" 1
1306 1 81 GLU H 1 81 GLU HG2 2.900 . 4.000 3.804 2.203 4.649 0.649 19 6 "[ . * . *+2 * * -]" 1
1307 1 81 GLU H 1 82 ASN H 3.300 . 4.700 2.886 2.761 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 81 GLU H 1 83 LEU H 4.000 . 5.500 4.619 4.478 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 81 GLU H 1 84 LYS HB3 4.200 . 5.500 4.362 4.176 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 81 GLU HA 1 82 ASN H 3.000 . 4.100 3.488 3.405 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 81 GLU HA 1 83 LEU H 3.500 . 5.000 4.903 4.826 5.008 0.008 25 0 "[ . 1 . 2 . 3]" 1
1312 1 81 GLU HB2 1 82 ASN H 2.600 . 5.500 3.581 2.874 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 81 GLU HG2 1 82 ASN H 3.300 . 5.500 4.644 2.104 5.635 0.135 8 0 "[ . 1 . 2 . 3]" 1
1314 1 82 ASN H 1 82 ASN HA 2.500 . 3.300 2.913 2.895 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 82 ASN H 1 82 ASN HB2 2.400 . 5.500 3.573 2.889 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 82 ASN H 1 82 ASN QB 2.300 . 3.000 2.801 2.239 2.992 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 82 ASN H 1 82 ASN HD21 3.900 . 5.500 3.462 1.996 4.057 0.004 8 0 "[ . 1 . 2 . 3]" 1
1318 1 82 ASN H 1 82 ASN HD22 4.500 . 5.500 3.698 2.778 5.479 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 82 ASN H 1 83 LEU H 2.400 . 3.100 2.427 2.396 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 82 ASN H 1 84 LYS H 3.200 . 4.500 3.594 3.341 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 82 ASN HA 1 82 ASN HB2 2.200 . 2.800 2.538 2.364 2.886 0.086 19 0 "[ . 1 . 2 . 3]" 1
1322 1 82 ASN HA 1 82 ASN HD21 3.700 . 5.400 3.912 3.770 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 82 ASN HA 1 83 LEU H 2.800 . 3.800 3.564 3.547 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 82 ASN HA 1 83 LEU QD 3.600 . 5.200 4.631 4.353 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 82 ASN HB2 1 83 LEU H 3.000 . 4.100 3.598 2.678 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 82 ASN HB3 1 82 ASN HD21 2.600 . 3.400 3.447 2.323 3.535 0.135 19 0 "[ . 1 . 2 . 3]" 1
1327 1 82 ASN HB3 1 83 LEU H 3.500 . 5.000 4.038 2.465 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 82 ASN HD21 1 83 LEU QD 3.500 . 4.500 2.374 1.958 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 82 ASN HD21 1 84 LYS H 3.000 . 4.100 4.432 4.244 4.598 0.498 8 0 "[ . 1 . 2 . 3]" 1
1330 1 82 ASN HD22 1 83 LEU QD 3.500 . 5.000 2.230 1.976 3.361 0.024 8 0 "[ . 1 . 2 . 3]" 1
1331 1 83 LEU H 1 83 LEU HA 2.500 . 3.300 2.939 2.930 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 83 LEU H 1 83 LEU HB2 2.500 . 5.500 3.894 3.868 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 83 LEU H 1 83 LEU HB3 2.300 . 3.000 3.021 2.934 3.121 0.121 22 0 "[ . 1 . 2 . 3]" 1
1334 1 83 LEU H 1 83 LEU QD 2.400 . 5.500 1.633 1.416 1.764 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 83 LEU H 1 83 LEU HG 2.800 . 5.500 3.879 3.782 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 83 LEU H 1 84 LYS H 2.000 . 2.500 2.197 2.100 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 83 LEU HA 1 83 LEU HB2 2.500 . 3.300 2.317 2.268 2.383 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 83 LEU HA 1 83 LEU HB3 2.800 . 3.800 2.534 2.475 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 83 LEU HA 1 83 LEU QD 2.900 . 4.000 3.083 3.036 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 83 LEU HA 1 83 LEU HG 3.000 . 5.500 4.259 4.252 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 83 LEU HA 1 84 LYS H 3.000 . 4.100 3.049 2.949 3.098 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 83 LEU HB2 1 83 LEU QD 2.700 . 3.600 2.060 1.957 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 83 LEU HB2 1 84 LYS H 3.400 . 4.800 4.523 4.448 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 83 LEU HB3 1 83 LEU QD 2.600 . 3.400 2.530 2.479 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 83 LEU MD1 1 83 LEU MD2 1.900 . 2.400 2.019 1.927 2.069 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 83 LEU QD 1 83 LEU HG 2.000 . 2.500 1.867 1.850 1.877 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 83 LEU QD 1 84 LYS H 2.900 . 4.000 2.733 2.484 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 83 LEU QD 1 86 LYS H 3.700 . 5.200 2.459 2.276 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 83 LEU QD 1 86 LYS QB 2.600 . 4.100 1.826 1.731 1.866 0.169 1 0 "[ . 1 . 2 . 3]" 1
1350 1 83 LEU QD 1 86 LYS QE 2.700 . 3.600 2.817 1.784 3.454 0.016 27 0 "[ . 1 . 2 . 3]" 1
1351 1 83 LEU QD 1 86 LYS HG2 2.700 . 3.600 3.759 3.127 4.189 0.589 21 10 "[ ***. *1* *. -+* *. 3]" 1
1352 1 83 LEU QD 1 86 LYS HG3 2.900 . 4.000 3.772 3.271 4.356 0.356 25 0 "[ . 1 . 2 . 3]" 1
1353 1 84 LYS H 1 84 LYS HA 2.200 . 2.800 2.643 2.571 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 84 LYS H 1 84 LYS HB2 2.700 . 5.500 3.636 3.608 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 84 LYS H 1 84 LYS HB3 2.500 . 3.300 2.574 2.399 2.681 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 84 LYS H 1 84 LYS HG2 2.600 . 3.400 2.465 2.064 3.499 0.099 20 0 "[ . 1 . 2 . 3]" 1
1357 1 84 LYS H 1 84 LYS HG3 2.800 . 3.800 3.314 2.568 4.056 0.256 20 0 "[ . 1 . 2 . 3]" 1
1358 1 84 LYS HA 1 84 LYS HB2 2.700 . 3.600 2.504 2.415 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 84 LYS HA 1 85 GLY H 2.100 . 2.700 2.125 2.106 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
1360 1 84 LYS HA 1 86 LYS H 3.000 . 5.500 4.202 4.025 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
1361 1 84 LYS HB3 1 85 GLY H 2.400 . 5.500 4.114 4.018 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
1362 1 84 LYS HG2 1 85 GLY H 3.100 . 5.500 5.165 4.280 5.567 0.067 26 0 "[ . 1 . 2 . 3]" 1
1363 1 84 LYS HG3 1 85 GLY H 2.600 . 5.500 4.644 4.363 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 85 GLY H 1 85 GLY HA2 2.300 . 3.000 2.297 2.289 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
1365 1 85 GLY H 1 85 GLY HA3 2.300 . 3.000 2.736 2.703 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 85 GLY H 1 86 LYS H 2.500 . 3.300 3.053 2.991 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 85 GLY HA2 1 86 LYS H 3.000 . 4.100 2.670 2.625 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 85 GLY HA3 1 86 LYS H 3.000 . 4.100 3.574 3.561 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 85 GLY HA3 1 86 LYS QB 2.700 . 5.500 5.045 4.972 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 86 LYS H 1 86 LYS HA 2.500 . 3.300 2.926 2.899 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 86 LYS H 1 86 LYS QB 2.300 . 3.000 2.334 2.223 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 86 LYS H 1 86 LYS QE 3.400 . 5.500 4.216 2.994 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 86 LYS H 1 86 LYS HG2 2.400 . 5.500 4.594 4.300 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 86 LYS H 1 86 LYS HG3 2.600 . 5.500 4.598 4.338 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
1375 1 86 LYS H 1 87 ALA H 3.000 . 4.100 4.050 3.955 4.128 0.028 14 0 "[ . 1 . 2 . 3]" 1
1376 1 86 LYS HA 1 87 ALA H 2.000 . 5.500 2.249 2.193 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 86 LYS QB 1 87 ALA H 2.700 . 5.500 3.962 3.881 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 86 LYS QE 1 86 LYS HG2 2.600 . 3.400 2.925 2.113 3.427 0.027 23 0 "[ . 1 . 2 . 3]" 1
1379 1 87 ALA H 1 87 ALA HA 2.700 . 3.600 2.890 2.875 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 87 ALA H 1 87 ALA MB 2.000 . 2.500 2.205 2.069 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 87 ALA H 1 88 ALA H 3.100 . 4.300 4.197 4.017 4.319 0.019 22 0 "[ . 1 . 2 . 3]" 1
1382 1 87 ALA HA 1 87 ALA MB 2.000 . 2.500 2.120 2.092 2.137 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 87 ALA HA 1 88 ALA H 2.000 . 2.500 2.240 2.200 2.303 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 87 ALA MB 1 88 ALA H 2.300 . 5.500 3.542 3.444 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
1385 1 87 ALA MB 1 88 ALA HA 3.100 . 4.300 4.114 4.043 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 88 ALA H 1 88 ALA HA 2.500 . 3.300 2.942 2.929 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
1387 1 88 ALA H 1 88 ALA MB 2.200 . 2.800 2.552 2.465 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 88 ALA H 1 89 LYS H 3.300 . 4.700 4.349 4.309 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 88 ALA HA 1 88 ALA MB 1.900 . 2.400 2.106 2.087 2.123 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 88 ALA HA 1 89 LYS H 2.000 . 5.500 2.568 2.506 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 88 ALA HA 1 90 PHE QD 3.000 . 5.500 5.567 5.453 5.615 0.115 10 0 "[ . 1 . 2 . 3]" 1
1392 1 88 ALA MB 1 89 LYS H 2.100 . 2.700 1.993 1.834 2.097 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 88 ALA MB 1 89 LYS HA 3.500 . 5.000 3.905 3.789 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 88 ALA MB 1 90 PHE QD 2.700 . 3.600 3.247 3.072 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 89 LYS H 1 89 LYS HA 2.600 . 3.400 2.946 2.931 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 89 LYS H 1 89 LYS QB 2.500 . 3.000 2.503 2.417 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 89 LYS H 1 89 LYS HG3 2.800 . 5.500 4.032 3.268 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
1398 1 89 LYS H 1 90 PHE H 3.300 . 4.700 4.389 4.340 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 89 LYS HA 1 89 LYS QB 2.600 . 3.300 2.457 2.297 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 89 LYS HA 1 89 LYS QE 3.800 . 5.500 4.064 2.488 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 89 LYS HA 1 89 LYS HG3 2.400 . 3.100 2.479 2.064 3.214 0.114 5 0 "[ . 1 . 2 . 3]" 1
1402 1 89 LYS HA 1 90 PHE H 2.000 . 2.500 2.277 2.251 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 89 LYS HA 1 90 PHE QD 3.500 . 5.000 4.001 3.872 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 89 LYS QB 1 89 LYS QE 2.300 . 3.000 2.349 1.897 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 89 LYS QB 1 90 PHE H 2.500 . 5.500 3.151 2.975 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
1406 1 89 LYS QE 1 89 LYS HG3 2.500 . 5.500 2.698 1.962 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 89 LYS HG3 1 90 PHE H 2.600 . 5.500 4.028 2.941 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 90 PHE H 1 90 PHE HA 3.000 . 4.100 2.932 2.892 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 90 PHE H 1 90 PHE HB2 2.600 . 3.400 2.878 2.752 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
1410 1 90 PHE H 1 90 PHE QD 2.600 . 3.400 3.456 3.401 3.527 0.127 12 0 "[ . 1 . 2 . 3]" 1
1411 1 90 PHE HA 1 90 PHE HB2 2.600 . 3.400 3.009 2.926 3.023 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 90 PHE HA 1 90 PHE HB3 2.800 . 3.800 2.431 2.249 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
1413 1 90 PHE HA 1 90 PHE QD 2.400 . 3.100 2.267 2.146 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 90 PHE HA 1 91 ALA H 2.100 . 2.700 2.338 2.302 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 90 PHE HA 1 91 ALA MB 2.600 . 5.500 3.912 3.852 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 90 PHE HB2 1 90 PHE QD 2.300 . 3.000 2.415 2.222 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
1417 1 90 PHE HB2 1 91 ALA H 2.800 . 3.800 3.612 2.730 3.857 0.057 11 0 "[ . 1 . 2 . 3]" 1
1418 1 90 PHE HB2 1 92 ILE MD 2.500 . 3.300 3.118 1.857 3.340 0.040 2 0 "[ . 1 . 2 . 3]" 1
1419 1 90 PHE HB3 1 91 ALA H 2.700 . 3.600 2.561 2.428 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
1420 1 90 PHE HB3 1 92 ILE MD 2.600 . 5.500 3.449 1.885 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
1421 1 90 PHE QD 1 92 ILE HG13 2.700 . 3.600 3.945 3.600 4.102 0.502 11 1 "[ . 1+ . 2 . 3]" 1
1422 1 91 ALA H 1 91 ALA HA 2.400 . 3.100 2.929 2.919 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 91 ALA H 1 91 ALA MB 2.100 . 2.700 2.456 2.382 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
1424 1 91 ALA H 1 92 ILE H 3.000 . 4.100 3.885 3.856 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 91 ALA HA 1 92 ILE H 2.000 . 2.500 2.145 2.129 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 91 ALA MB 1 92 ILE H 2.200 . 5.500 3.463 3.442 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 92 ILE H 1 92 ILE HA 2.700 . 3.600 2.909 2.885 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 92 ILE H 1 92 ILE HB 2.400 . 3.100 2.539 2.273 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 92 ILE H 1 92 ILE MD 3.100 . 4.300 3.774 2.231 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 92 ILE H 1 92 ILE HG12 2.800 . 3.800 3.164 3.038 4.052 0.252 14 0 "[ . 1 . 2 . 3]" 1
1431 1 92 ILE H 1 92 ILE HG13 2.900 . 4.000 2.440 2.228 4.057 0.057 14 0 "[ . 1 . 2 . 3]" 1
1432 1 92 ILE H 1 92 ILE MG 2.600 . 5.500 3.775 3.654 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 92 ILE H 1 93 ASN H 3.800 . 5.500 4.538 4.525 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 92 ILE HA 1 92 ILE MD 2.400 . 5.500 3.613 2.505 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 92 ILE HA 1 92 ILE MG 2.200 . 2.800 2.311 2.239 2.688 . 0 0 "[ . 1 . 2 . 3]" 1
1436 1 92 ILE HA 1 93 ASN H 2.000 . 2.500 2.298 2.245 2.324 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 92 ILE HB 1 92 ILE MD 3.300 . 4.700 2.595 2.501 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 92 ILE MD 1 92 ILE HG13 2.400 . 3.100 2.078 2.068 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 92 ILE MD 1 92 ILE MG 2.100 . 2.700 1.785 1.602 3.236 0.536 25 2 "[ . 1 -. 2 + 3]" 1
1440 1 92 ILE MD 1 93 ASN H 3.100 . 4.300 4.297 4.219 4.344 0.044 14 0 "[ . 1 . 2 . 3]" 1
1441 1 92 ILE HG13 1 92 ILE MG 2.700 . 3.600 3.113 2.235 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
1442 1 92 ILE HG13 1 93 ASN H 3.700 . 5.400 4.838 3.575 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 92 ILE MG 1 93 ASN H 2.300 . 3.000 1.790 1.720 1.968 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 92 ILE MG 1 93 ASN HA 3.500 . 5.000 3.371 3.054 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
1445 1 92 ILE MG 1 94 LEU H 3.000 . 4.100 3.343 3.009 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 92 ILE MG 1 95 LYS H 4.000 . 5.500 5.293 5.074 5.381 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 93 ASN H 1 93 ASN HA 3.000 . 4.100 2.922 2.917 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 93 ASN H 1 93 ASN QB 2.700 . 3.300 2.671 2.550 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
1449 1 93 ASN H 1 93 ASN QD 4.400 . 5.500 4.129 2.449 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
1450 1 93 ASN HA 1 93 ASN QD 3.500 . 5.000 3.693 2.488 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
1451 1 93 ASN HA 1 94 LEU H 2.000 . 2.500 2.198 2.180 2.222 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 93 ASN QB 1 93 ASN QD 3.400 . 3.800 2.223 2.067 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 93 ASN QB 1 94 LEU H 3.200 . 4.500 3.741 3.564 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
1454 1 94 LEU H 1 94 LEU HB2 2.300 . 3.000 2.356 2.276 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 94 LEU H 1 94 LEU MD2 2.600 . 5.500 4.229 4.196 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 94 LEU HA 1 95 LYS H 2.200 . 2.800 2.319 2.286 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 94 LEU MD1 1 95 LYS H 2.400 . 3.100 2.456 2.159 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 94 LEU MD2 1 97 VAL HB 3.100 . 4.300 2.986 2.785 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
1459 1 94 LEU MD2 1 97 VAL MG1 2.200 . 5.500 2.708 2.510 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1460 1 94 LEU HG 1 95 LYS H 2.500 . 3.300 2.056 1.915 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 94 LEU HG 1 97 VAL MG1 2.600 . 3.400 3.467 3.394 3.503 0.103 17 0 "[ . 1 . 2 . 3]" 1
1462 1 95 LYS H 1 95 LYS HA 2.600 . 3.400 2.896 2.885 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 95 LYS H 1 95 LYS HB2 2.400 . 3.100 2.854 2.792 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1464 1 95 LYS H 1 95 LYS HG2 3.000 . 4.100 3.912 3.187 4.704 0.604 29 3 "[ . 1 . 2 * +-]" 1
1465 1 95 LYS H 1 96 LYS H 2.300 . 5.500 3.471 3.389 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 95 LYS H 1 97 VAL H 3.500 . 5.000 5.079 5.051 5.111 0.111 22 0 "[ . 1 . 2 . 3]" 1
1467 1 95 LYS HA 1 95 LYS HB2 2.600 . 3.400 3.013 2.992 3.026 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 95 LYS HA 1 96 LYS H 2.900 . 4.000 3.401 3.363 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 95 LYS HB2 1 95 LYS HG2 2.200 . 2.800 2.854 2.533 3.009 0.209 19 0 "[ . 1 . 2 . 3]" 1
1470 1 95 LYS HB2 1 96 LYS H 2.400 . 3.100 2.058 1.822 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
1471 1 95 LYS HG2 1 96 LYS H 3.200 . 4.500 4.318 4.132 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 96 LYS H 1 96 LYS HA 2.500 . 3.300 2.836 2.827 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 96 LYS H 1 96 LYS HB2 2.700 . 3.600 2.281 2.070 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 96 LYS H 1 96 LYS QE 3.800 . 5.500 4.373 2.785 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 96 LYS H 1 97 VAL H 3.100 . 4.300 4.319 4.314 4.326 0.026 12 0 "[ . 1 . 2 . 3]" 1
1476 1 96 LYS HA 1 97 VAL H 2.000 . 2.500 2.169 2.148 2.180 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 97 VAL H 1 97 VAL HA 2.800 . 3.800 2.936 2.932 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 97 VAL H 1 97 VAL HB 2.400 . 3.100 3.147 3.133 3.169 0.069 19 0 "[ . 1 . 2 . 3]" 1
1479 1 97 VAL H 1 97 VAL MG1 2.500 . 3.300 1.871 1.822 1.913 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 97 VAL HA 1 97 VAL HB 2.300 . 3.000 2.367 2.349 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 97 VAL HA 1 98 GLU H 2.100 . 2.700 2.185 2.170 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 97 VAL HB 1 97 VAL MG2 2.100 . 2.700 2.091 2.085 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 97 VAL MG2 1 98 GLU H 2.300 . 3.000 2.964 2.764 3.043 0.043 29 0 "[ . 1 . 2 . 3]" 1
1484 1 98 GLU H 1 98 GLU HA 2.600 . 3.400 2.943 2.920 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 98 GLU H 1 98 GLU HB2 2.500 . 3.300 2.733 2.628 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 98 GLU H 1 98 GLU HG3 2.700 . 3.600 3.131 2.787 4.091 0.491 1 0 "[ . 1 . 2 . 3]" 1
1487 1 98 GLU H 1 100 ARG H 3.800 . 5.500 4.977 4.692 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 98 GLU HA 1 98 GLU HB3 2.700 . 3.600 2.435 2.380 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 98 GLU HA 1 98 GLU HG3 2.900 . 4.000 2.707 2.407 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
1490 1 98 GLU HA 1 99 GLU H 2.200 . 2.800 2.589 2.436 2.804 0.004 13 0 "[ . 1 . 2 . 3]" 1
1491 1 98 GLU HB2 1 100 ARG H 4.000 . 5.500 4.517 4.241 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
1492 1 98 GLU HB3 1 99 GLU H 2.900 . 4.000 2.207 1.875 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 99 GLU H 1 99 GLU HA 2.700 . 3.600 2.925 2.906 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 99 GLU H 1 99 GLU HB2 2.500 . 3.300 2.796 2.532 3.693 0.393 24 0 "[ . 1 . 2 . 3]" 1
1495 1 99 GLU H 1 99 GLU HB3 2.300 . 3.000 2.733 2.519 3.725 0.725 16 2 "[ . 1 .+ 2 . -3]" 1
1496 1 99 GLU H 1 100 ARG H 3.300 . 4.700 3.991 3.786 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 99 GLU HA 1 99 GLU HB2 2.400 . 3.100 2.541 2.367 3.009 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 99 GLU HA 1 99 GLU HG2 3.200 . 4.500 2.531 2.182 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 99 GLU HA 1 100 ARG H 2.000 . 2.500 2.237 2.146 2.289 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 99 GLU HB3 1 100 ARG H 2.300 . 5.500 4.391 4.056 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
1501 1 100 ARG H 1 100 ARG HA 2.700 . 3.600 2.844 2.803 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 100 ARG H 1 100 ARG HB2 2.600 . 5.500 3.591 3.562 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
1503 1 100 ARG H 1 100 ARG HB3 2.400 . 3.100 2.536 2.397 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
1504 1 100 ARG H 1 100 ARG QD 3.000 . 5.500 4.189 3.939 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 100 ARG H 1 100 ARG HG2 2.600 . 3.400 2.761 2.196 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 100 ARG H 1 100 ARG HG3 3.000 . 4.100 2.497 2.121 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 100 ARG HA 1 100 ARG HB2 2.500 . 3.300 2.425 2.378 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
1508 1 100 ARG HA 1 101 GLU H 1.900 . 2.400 2.332 2.141 2.494 0.094 21 0 "[ . 1 . 2 . 3]" 1
1509 1 100 ARG HB2 1 100 ARG QD 2.900 . 4.000 2.080 1.940 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 100 ARG HB2 1 100 ARG HG3 2.500 . 3.300 2.818 2.603 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 100 ARG HB2 1 101 GLU H 2.800 . 3.800 2.620 2.120 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 100 ARG HB2 1 102 LEU H 3.400 . 4.800 4.047 3.426 4.945 0.145 10 0 "[ . 1 . 2 . 3]" 1
1513 1 100 ARG QD 1 100 ARG HG2 3.000 . 4.000 2.193 2.138 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
1514 1 100 ARG QD 1 100 ARG HG3 3.000 . 4.100 2.466 2.340 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 100 ARG HG2 1 101 GLU H 3.400 . 4.800 4.964 4.488 5.562 0.762 13 6 "[ .* 1 + .- *2 * .* 3]" 1
1516 1 100 ARG HG3 1 101 GLU H 3.400 . 4.800 4.043 3.593 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 100 ARG HG3 1 102 LEU H 4.000 . 5.500 4.948 4.502 5.445 . 0 0 "[ . 1 . 2 . 3]" 1
1518 1 101 GLU H 1 101 GLU HA 2.400 . 3.100 2.839 2.750 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 101 GLU H 1 101 GLU HB2 2.400 . 3.100 3.278 2.946 3.915 0.815 22 1 "[ . 1 . 2 + . 3]" 1
1520 1 101 GLU H 1 101 GLU HB3 2.600 . 3.400 3.303 2.673 3.833 0.433 8 0 "[ . 1 . 2 . 3]" 1
1521 1 101 GLU H 1 101 GLU QG 3.100 . 4.300 4.134 2.284 4.303 0.003 17 0 "[ . 1 . 2 . 3]" 1
1522 1 101 GLU HA 1 101 GLU HB2 2.500 . 3.300 2.628 2.448 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 101 GLU HA 1 102 LEU H 2.000 . 2.500 2.369 2.137 2.587 0.087 22 0 "[ . 1 . 2 . 3]" 1
1524 1 101 GLU HB3 1 102 LEU H 2.800 . 5.500 4.318 3.851 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1525 1 101 GLU QG 1 102 LEU H 2.900 . 4.000 3.889 3.348 4.034 0.034 9 0 "[ . 1 . 2 . 3]" 1
1526 1 102 LEU H 1 102 LEU HA 2.300 . 3.000 2.860 2.846 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 102 LEU H 1 102 LEU HB2 2.000 . 2.500 2.374 2.208 3.168 0.668 4 2 "[ +. 1 . 2 - . 3]" 1
1528 1 102 LEU H 1 102 LEU MD2 2.700 . 3.600 3.637 3.536 3.743 0.143 7 0 "[ . 1 . 2 . 3]" 1
1529 1 102 LEU HA 1 102 LEU HG 2.200 . 2.800 2.678 2.537 2.855 0.055 8 0 "[ . 1 . 2 . 3]" 1
1530 1 102 LEU HA 1 103 PRO HD3 3.500 . 5.000 2.910 2.005 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 103 PRO HA 1 104 GLU H 1.800 . 2.200 2.174 2.144 2.216 0.016 22 0 "[ . 1 . 2 . 3]" 1
1532 1 103 PRO HB2 1 105 LEU H 2.500 . 5.500 4.728 2.791 5.824 0.324 24 0 "[ . 1 . 2 . 3]" 1
1533 1 103 PRO HD2 1 103 PRO HG2 2.700 . 3.600 2.304 2.285 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
1534 1 103 PRO HD2 1 103 PRO HG3 2.200 . 5.500 2.803 2.691 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 103 PRO HD3 1 103 PRO HG3 2.100 . 2.700 2.304 2.289 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 104 GLU H 1 104 GLU HB2 2.500 . 3.300 2.297 2.082 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 104 GLU H 1 104 GLU HB3 2.700 . 3.600 3.157 2.515 3.685 0.085 30 0 "[ . 1 . 2 . 3]" 1
1538 1 104 GLU H 1 104 GLU HG3 4.100 . 5.500 3.970 2.774 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 104 GLU HA 1 104 GLU HB3 2.400 . 3.100 2.833 2.404 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
1540 1 104 GLU HB2 1 104 GLU HG3 2.400 . 3.100 2.508 2.205 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 104 GLU HB3 1 104 GLU HG2 2.200 . 2.800 2.554 2.206 3.010 0.210 11 0 "[ . 1 . 2 . 3]" 1
1542 1 105 LEU H 1 105 LEU HA 2.500 . 3.300 2.930 2.899 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 105 LEU H 1 105 LEU HB2 2.000 . 2.500 2.328 2.153 2.595 0.095 4 0 "[ . 1 . 2 . 3]" 1
1544 1 105 LEU H 1 106 THR H 3.200 . 4.500 4.263 2.962 4.514 0.014 12 0 "[ . 1 . 2 . 3]" 1
1545 1 105 LEU HA 1 105 LEU HB2 2.400 . 3.100 2.904 2.577 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 105 LEU HA 1 105 LEU MD2 2.500 . 3.300 2.600 2.038 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 105 LEU HA 1 106 THR H 2.300 . 3.000 2.295 2.140 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 105 LEU HB2 1 105 LEU MD1 1.900 . 2.400 2.424 1.931 3.198 0.798 11 8 "[ *. *1+ *. 2 ** - *]" 1
1549 1 105 LEU HB2 1 105 LEU MD2 2.400 . 3.100 2.882 2.201 3.193 0.093 5 0 "[ . 1 . 2 . 3]" 1
1550 1 105 LEU HB2 1 106 THR H 3.400 . 4.800 4.283 3.497 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 106 THR H 1 106 THR HB 2.600 . 5.500 3.259 2.533 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
1552 1 106 THR H 1 106 THR MG 3.900 . 5.500 3.372 2.018 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 106 THR HB 1 106 THR MG 2.000 . 2.500 2.097 2.072 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
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