NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569065 |
2mct   |
19453 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mct
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 1862
_Distance_constraint_stats_list.Viol_count 4439
_Distance_constraint_stats_list.Viol_total 8015.004
_Distance_constraint_stats_list.Viol_max 0.867
_Distance_constraint_stats_list.Viol_rms 0.0467
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0903
_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 3 PRO 4.559 0.090 12 0 "[ . 1 . 2]"
1 4 ILE 4.693 0.325 15 0 "[ . 1 . 2]"
1 5 LEU 13.566 0.716 10 8 "[ ** * * + * .-* 2]"
1 6 PRO 12.366 0.716 10 8 "[ ** * * + * .-* 2]"
1 7 LYS 5.183 0.313 20 0 "[ . 1 . 2]"
1 8 ALA 5.746 0.133 17 0 "[ . 1 . 2]"
1 9 GLU 2.555 0.084 14 0 "[ . 1 . 2]"
1 10 ASN 8.126 0.090 11 0 "[ . 1 . 2]"
1 11 VAL 8.083 0.257 5 0 "[ . 1 . 2]"
1 12 ASP 0.523 0.080 2 0 "[ . 1 . 2]"
1 13 SER 9.776 0.846 13 4 "[ .- * 1 +*. 2]"
1 14 ILE 3.177 0.097 9 0 "[ . 1 . 2]"
1 15 CYS 3.149 0.109 12 0 "[ . 1 . 2]"
1 16 ILE 6.281 0.386 1 0 "[ . 1 . 2]"
1 17 ASP 4.018 0.484 17 0 "[ . 1 . 2]"
1 18 PHE 7.159 0.118 17 0 "[ . 1 . 2]"
1 19 THR 4.247 0.278 12 0 "[ . 1 . 2]"
1 20 ASN 8.326 0.512 10 4 "[ . -+ * *2]"
1 21 SER 4.316 0.648 20 2 "[ . 1- . +]"
1 22 ILE 13.428 0.512 10 4 "[ . -+ * *2]"
1 23 GLN 7.663 0.110 4 0 "[ . 1 . 2]"
1 24 LYS 8.360 0.188 1 0 "[ . 1 . 2]"
1 25 ILE 4.002 0.103 4 0 "[ . 1 . 2]"
1 26 TYR 9.101 0.188 1 0 "[ . 1 . 2]"
1 27 ASP 3.816 0.846 13 4 "[ .- * 1 +*. 2]"
1 28 ASP 6.513 0.349 4 0 "[ . 1 . 2]"
1 29 SER 5.631 0.349 4 0 "[ . 1 . 2]"
1 30 GLU 3.073 0.089 1 0 "[ . 1 . 2]"
1 31 SER 3.242 0.111 10 0 "[ . 1 . 2]"
1 32 ILE 7.094 0.119 19 0 "[ . 1 . 2]"
1 33 GLN 4.139 0.133 17 0 "[ . 1 . 2]"
1 34 LYS 12.863 0.405 19 0 "[ . 1 . 2]"
1 35 ILE 10.356 0.405 19 0 "[ . 1 . 2]"
1 36 LEU 5.722 0.118 14 0 "[ . 1 . 2]"
1 37 SER 0.738 0.075 20 0 "[ . 1 . 2]"
1 38 GLU 1.195 0.127 18 0 "[ . 1 . 2]"
1 39 ILE 6.050 0.139 1 0 "[ . 1 . 2]"
1 40 ALA 2.949 0.097 10 0 "[ . 1 . 2]"
1 41 THR 3.218 0.110 15 0 "[ . 1 . 2]"
1 42 GLY 4.805 0.104 18 0 "[ . 1 . 2]"
1 43 LYS 10.540 0.867 20 2 "[ . - . +]"
1 44 ARG 7.145 0.769 10 1 "[ . + . 2]"
1 45 THR 10.909 0.867 20 1 "[ . 1 . +]"
1 46 GLU 6.375 0.457 15 0 "[ . 1 . 2]"
1 47 LYS 13.345 0.520 9 2 "[ . +1 . -]"
1 48 GLN 11.858 0.806 12 8 "[* * - 1 + *. * **]"
1 49 SER 5.704 0.806 12 6 "[* * * 1 + *. - 2]"
1 50 ILE 2.155 0.092 7 0 "[ . 1 . 2]"
1 51 GLN 4.872 0.799 2 2 "[ + - 1 . 2]"
1 52 ASP 2.387 0.116 7 0 "[ . 1 . 2]"
1 53 TYR 3.923 0.116 7 0 "[ . 1 . 2]"
1 54 PRO 4.760 0.101 17 0 "[ . 1 . 2]"
1 55 SER 3.963 0.799 2 2 "[ + - 1 . 2]"
1 56 ALA 4.375 0.291 2 0 "[ . 1 . 2]"
1 57 GLU 10.569 0.851 1 9 "[+** .* -*1* * * 2]"
1 58 GLU 10.551 0.825 19 4 "[ - 1 ** +2]"
1 59 TYR 9.614 0.682 15 4 "[ - 1 +* *2]"
1 60 GLY 3.379 0.484 17 0 "[ . 1 . 2]"
1 61 THR 2.950 0.150 15 0 "[ . 1 . 2]"
1 62 ILE 14.990 0.630 12 5 "[ . -1*+ . **]"
1 63 ASN 4.044 0.386 1 0 "[ . 1 . 2]"
1 64 ILE 5.333 0.114 6 0 "[ . 1 . 2]"
1 65 GLU 4.253 0.102 11 0 "[ . 1 . 2]"
1 66 ASN 1.910 0.130 10 0 "[ . 1 . 2]"
1 67 ASN 4.786 0.403 15 0 "[ . 1 . 2]"
1 68 GLY 1.923 0.403 15 0 "[ . 1 . 2]"
1 69 GLY 1.387 0.105 9 0 "[ . 1 . 2]"
1 70 MET 4.070 0.105 9 0 "[ . 1 . 2]"
1 71 THR 5.926 0.110 20 0 "[ . 1 . 2]"
1 72 THR 5.682 0.691 3 1 "[ + . 1 . 2]"
1 73 MET 12.812 0.691 3 5 "[ + . -1* . **]"
1 74 PHE 8.529 0.782 10 1 "[ . + . 2]"
1 75 TYR 19.072 0.760 12 7 "[* * . *1 + * **2]"
1 76 TYR 10.445 0.837 6 2 "[- .+ 1 . 2]"
1 77 GLU 2.114 0.095 13 0 "[ . 1 . 2]"
1 78 GLU 11.214 0.837 6 4 "[* .+ -1 . * 2]"
1 79 ASN 5.726 0.825 17 2 "[ . -1 . + 2]"
1 80 GLY 2.473 0.344 14 0 "[ . 1 . 2]"
1 81 LYS 6.759 0.344 14 0 "[ . 1 . 2]"
1 82 TYR 10.843 0.861 6 3 "[* .+ - . 2]"
1 83 TYR 12.385 0.751 17 1 "[ . 1 . + 2]"
1 84 ILE 12.040 0.760 12 7 "[* * . *1 + - **2]"
1 85 GLU 8.366 0.782 10 1 "[ . + . 2]"
1 86 CYS 10.403 0.489 12 0 "[ . 1 . 2]"
1 87 PRO 8.554 0.323 1 0 "[ . 1 . 2]"
1 88 TYR 3.485 0.109 19 0 "[ . 1 . 2]"
1 89 LYS 23.515 0.323 1 0 "[ . 1 . 2]"
1 90 GLY 6.005 0.091 2 0 "[ . 1 . 2]"
1 91 ILE 8.641 0.483 15 0 "[ . 1 . 2]"
1 92 TYR 16.463 0.119 9 0 "[ . 1 . 2]"
1 93 GLU 7.654 0.097 18 0 "[ . 1 . 2]"
1 94 ILE 7.633 0.237 2 0 "[ . 1 . 2]"
1 95 GLU 9.389 0.543 12 4 "[* .- 1 +* . 2]"
1 96 ASN 15.489 0.861 6 6 "[* .+ -* **. 2]"
1 97 ASN 2.561 0.093 17 0 "[ . 1 . 2]"
1 98 PHE 12.540 0.495 20 0 "[ . 1 . 2]"
1 99 GLU 2.632 0.095 5 0 "[ . 1 . 2]"
1 100 ASP 3.341 0.653 20 1 "[ . 1 . +]"
1 101 MET 1.522 0.653 20 1 "[ . 1 . +]"
1 102 ILE 7.995 0.314 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO HA 1 4 ILE H . . 2.690 2.426 2.265 2.620 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO HA 1 4 ILE HB . . 4.920 4.759 4.556 4.982 0.062 17 0 "[ . 1 . 2]" 1
3 1 3 PRO HA 1 92 TYR QD . . 5.390 5.017 4.463 5.480 0.090 12 0 "[ . 1 . 2]" 1
4 1 3 PRO HA 1 92 TYR QE . . 4.140 2.827 2.274 3.331 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO HB2 1 4 ILE H . . 4.320 2.618 2.219 3.013 . 0 0 "[ . 1 . 2]" 1
6 1 3 PRO HB2 1 4 ILE HB . . 5.500 4.927 4.558 5.278 . 0 0 "[ . 1 . 2]" 1
7 1 3 PRO HB2 1 5 LEU QD . . 2.890 2.638 2.181 2.950 0.060 3 0 "[ . 1 . 2]" 1
8 1 3 PRO HB2 1 40 ALA HA . . 4.620 4.434 4.255 4.550 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO HB3 1 4 ILE H . . 3.940 3.379 3.102 3.650 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO HB3 1 40 ALA HA . . 4.720 4.680 4.471 4.796 0.076 4 0 "[ . 1 . 2]" 1
11 1 3 PRO HB3 1 92 TYR QD . . 4.520 4.070 3.711 4.252 . 0 0 "[ . 1 . 2]" 1
12 1 3 PRO HB3 1 92 TYR QE . . 3.970 2.396 2.155 2.821 . 0 0 "[ . 1 . 2]" 1
13 1 3 PRO HD2 1 40 ALA HA . . 3.240 2.371 2.070 2.929 . 0 0 "[ . 1 . 2]" 1
14 1 3 PRO HD2 1 41 THR HA . . 5.440 5.319 4.974 5.508 0.068 18 0 "[ . 1 . 2]" 1
15 1 3 PRO HD2 1 42 GLY H . . 4.710 4.589 4.023 4.781 0.071 8 0 "[ . 1 . 2]" 1
16 1 3 PRO HD2 1 92 TYR QD . . 5.080 4.703 3.994 5.138 0.058 10 0 "[ . 1 . 2]" 1
17 1 3 PRO HD3 1 40 ALA HA . . 3.370 3.408 3.095 3.448 0.078 8 0 "[ . 1 . 2]" 1
18 1 3 PRO HD3 1 42 GLY H . . 4.570 4.308 3.565 4.642 0.072 4 0 "[ . 1 . 2]" 1
19 1 3 PRO HD3 1 92 TYR QD . . 3.340 3.052 2.421 3.422 0.082 10 0 "[ . 1 . 2]" 1
20 1 3 PRO QG 1 4 ILE H . . 5.050 4.204 3.908 4.482 . 0 0 "[ . 1 . 2]" 1
21 1 3 PRO QG 1 40 ALA HA . . 4.990 2.065 1.967 2.138 . 0 0 "[ . 1 . 2]" 1
22 1 3 PRO QG 1 42 GLY H . . 5.500 4.236 3.216 4.750 . 0 0 "[ . 1 . 2]" 1
23 1 3 PRO QG 1 92 TYR HB3 . . 5.300 5.316 5.040 5.378 0.078 18 0 "[ . 1 . 2]" 1
24 1 3 PRO QG 1 92 TYR QD . . 4.660 3.933 3.716 4.151 . 0 0 "[ . 1 . 2]" 1
25 1 3 PRO QG 1 92 TYR QE . . 3.850 3.403 3.005 3.807 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE H 1 4 ILE HB . . 3.030 2.573 2.291 2.774 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE H 1 4 ILE MD . . 4.090 3.800 2.200 4.159 0.069 20 0 "[ . 1 . 2]" 1
28 1 4 ILE H 1 4 ILE HG12 . . 3.570 3.477 2.196 3.845 0.275 10 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 4 ILE HG13 . . 3.760 2.946 2.502 3.660 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE H 1 4 ILE MG . . 4.200 3.823 3.696 3.901 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE H 1 92 TYR QE . . 5.500 4.775 4.297 5.238 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE HA 1 4 ILE HG12 . . 3.910 2.764 2.419 3.696 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE HA 1 4 ILE HG13 . . 3.630 3.289 2.521 3.955 0.325 15 0 "[ . 1 . 2]" 1
34 1 4 ILE HA 1 4 ILE MG . . 3.090 2.375 2.320 2.460 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HA 1 5 LEU H . . 2.580 2.237 2.125 2.450 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE HA 1 5 LEU HA . . 4.670 4.510 4.452 4.619 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE HB 1 4 ILE MD . . 3.430 2.632 2.359 3.295 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HB 1 5 LEU H . . 4.610 4.352 4.139 4.513 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU H 1 5 LEU HB2 . . 3.320 3.257 2.283 3.771 0.451 10 0 "[ . 1 . 2]" 1
40 1 5 LEU H 1 5 LEU HB3 . . 3.690 3.437 3.201 3.685 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU H 1 5 LEU QD . . 3.770 2.521 1.970 3.610 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU H 1 5 LEU HG . . 4.240 3.201 2.042 4.324 0.084 7 0 "[ . 1 . 2]" 1
43 1 5 LEU H 1 6 PRO HD2 . . 5.340 4.848 4.757 4.939 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU HA 1 5 LEU QD . . 4.160 3.063 1.969 3.483 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU HA 1 5 LEU HG . . 4.060 3.471 2.170 4.150 0.090 5 0 "[ . 1 . 2]" 1
46 1 5 LEU HA 1 6 PRO HD2 . . 3.060 2.453 2.293 2.620 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU HA 1 6 PRO HD3 . . 2.910 2.647 2.403 2.872 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU HA 1 6 PRO HG2 . . 5.160 4.601 4.449 4.747 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU HA 1 6 PRO HG3 . . 4.870 4.738 4.611 4.860 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU HB2 1 6 PRO HD2 . . 4.030 2.752 2.093 3.830 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU HB2 1 6 PRO HD3 . . 5.090 4.123 3.535 5.101 0.011 11 0 "[ . 1 . 2]" 1
52 1 5 LEU HB3 1 6 PRO HD2 . . 3.250 2.901 2.079 3.455 0.205 8 0 "[ . 1 . 2]" 1
53 1 5 LEU HB3 1 6 PRO HD3 . . 3.820 4.138 3.590 4.536 0.716 10 8 "[ ** * * + * .-* 2]" 1
54 1 5 LEU QD 1 6 PRO HD2 . . 4.830 3.268 2.071 3.926 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU QD 1 39 ILE HB . . 3.630 3.214 2.685 3.661 0.031 9 0 "[ . 1 . 2]" 1
56 1 5 LEU QD 1 40 ALA H . . 4.080 3.824 3.541 4.125 0.045 9 0 "[ . 1 . 2]" 1
57 1 5 LEU QD 1 40 ALA HA . . 3.680 2.890 2.668 3.148 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU QD 1 40 ALA MB . . 3.450 2.258 1.883 3.046 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU QD 1 41 THR H . . 5.280 5.133 4.855 5.249 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU HG 1 6 PRO HD2 . . 4.770 4.224 3.279 4.806 0.036 14 0 "[ . 1 . 2]" 1
61 1 6 PRO HA 1 7 LYS H . . 2.620 2.566 2.410 2.691 0.071 18 0 "[ . 1 . 2]" 1
62 1 6 PRO HA 1 7 LYS HA . . 5.390 4.477 4.281 4.593 . 0 0 "[ . 1 . 2]" 1
63 1 6 PRO HB2 1 7 LYS H . . 3.520 2.741 2.355 3.031 . 0 0 "[ . 1 . 2]" 1
64 1 6 PRO HB2 1 11 VAL MG2 . . 3.480 2.903 2.623 3.156 . 0 0 "[ . 1 . 2]" 1
65 1 6 PRO HB3 1 7 LYS H . . 3.820 3.598 3.320 3.853 0.033 6 0 "[ . 1 . 2]" 1
66 1 6 PRO HB3 1 11 VAL MG2 . . 4.040 4.122 3.982 4.143 0.103 1 0 "[ . 1 . 2]" 1
67 1 6 PRO HD2 1 64 ILE MD . . 4.420 3.079 2.435 3.795 . 0 0 "[ . 1 . 2]" 1
68 1 6 PRO HD2 1 66 ASN QD . . 5.500 4.851 4.352 4.962 . 0 0 "[ . 1 . 2]" 1
69 1 6 PRO HD3 1 64 ILE MD . . 4.910 3.944 3.349 4.654 . 0 0 "[ . 1 . 2]" 1
70 1 6 PRO HD3 1 71 THR HB . . 4.530 4.523 3.942 4.620 0.090 20 0 "[ . 1 . 2]" 1
71 1 6 PRO HD3 1 71 THR MG . . 4.500 4.032 2.749 4.571 0.071 6 0 "[ . 1 . 2]" 1
72 1 6 PRO HG2 1 7 LYS H . . 5.400 4.508 4.115 4.788 . 0 0 "[ . 1 . 2]" 1
73 1 6 PRO HG2 1 11 VAL MG2 . . 3.540 2.784 2.341 3.311 . 0 0 "[ . 1 . 2]" 1
74 1 6 PRO HG2 1 66 ASN HB3 . . 4.630 4.225 3.771 4.760 0.130 10 0 "[ . 1 . 2]" 1
75 1 6 PRO HG2 1 66 ASN QD . . 5.260 4.164 3.841 4.618 . 0 0 "[ . 1 . 2]" 1
76 1 6 PRO HG3 1 11 VAL MG2 . . 3.390 3.322 2.852 3.647 0.257 5 0 "[ . 1 . 2]" 1
77 1 7 LYS H 1 7 LYS HB2 . . 2.890 2.642 2.516 2.852 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS H 1 7 LYS HB3 . . 3.630 3.548 3.444 3.632 0.002 5 0 "[ . 1 . 2]" 1
79 1 7 LYS H 1 7 LYS QD . . 4.290 3.101 1.662 3.983 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS H 1 7 LYS HG2 . . 3.750 2.889 1.742 3.844 0.094 10 0 "[ . 1 . 2]" 1
81 1 7 LYS H 1 7 LYS HG3 . . 3.660 2.635 2.249 2.976 . 0 0 "[ . 1 . 2]" 1
82 1 7 LYS H 1 8 ALA H . . 4.740 4.620 4.415 4.720 . 0 0 "[ . 1 . 2]" 1
83 1 7 LYS H 1 10 ASN H . . 5.500 4.390 4.165 4.836 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS H 1 10 ASN HB2 . . 5.310 5.084 4.597 5.335 0.025 16 0 "[ . 1 . 2]" 1
85 1 7 LYS H 1 10 ASN HB3 . . 4.310 4.329 4.031 4.399 0.089 18 0 "[ . 1 . 2]" 1
86 1 7 LYS H 1 10 ASN QD . . 4.830 2.419 2.054 2.681 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS H 1 11 VAL MG2 . . 5.030 4.383 3.911 4.611 . 0 0 "[ . 1 . 2]" 1
88 1 7 LYS HA 1 7 LYS HB3 . . 2.990 2.391 2.290 2.496 . 0 0 "[ . 1 . 2]" 1
89 1 7 LYS HA 1 7 LYS QD . . 4.040 3.556 3.016 3.900 . 0 0 "[ . 1 . 2]" 1
90 1 7 LYS HA 1 7 LYS HG2 . . 3.340 3.060 2.511 3.653 0.313 20 0 "[ . 1 . 2]" 1
91 1 7 LYS HA 1 7 LYS HG3 . . 3.850 3.230 2.351 3.932 0.082 4 0 "[ . 1 . 2]" 1
92 1 7 LYS HA 1 8 ALA H . . 2.600 2.484 2.240 2.653 0.053 9 0 "[ . 1 . 2]" 1
93 1 7 LYS HA 1 8 ALA MB . . 4.640 4.222 3.987 4.388 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS HA 1 9 GLU H . . 4.450 4.285 3.727 4.530 0.080 2 0 "[ . 1 . 2]" 1
95 1 7 LYS HA 1 36 LEU QD . . 4.330 3.666 2.873 4.110 . 0 0 "[ . 1 . 2]" 1
96 1 7 LYS HB2 1 7 LYS HG2 . . 2.960 2.834 2.638 2.986 0.026 3 0 "[ . 1 . 2]" 1
97 1 7 LYS HB2 1 8 ALA H . . 4.000 3.419 2.895 3.955 . 0 0 "[ . 1 . 2]" 1
98 1 7 LYS HB2 1 9 GLU H . . 4.020 3.120 2.478 3.594 . 0 0 "[ . 1 . 2]" 1
99 1 7 LYS HB2 1 9 GLU HG2 . . 3.440 2.823 2.324 3.513 0.073 1 0 "[ . 1 . 2]" 1
100 1 7 LYS HB2 1 9 GLU HG3 . . 4.090 3.613 2.895 4.166 0.076 13 0 "[ . 1 . 2]" 1
101 1 7 LYS HB2 1 10 ASN H . . 4.210 2.367 1.876 3.046 . 0 0 "[ . 1 . 2]" 1
102 1 7 LYS HB2 1 10 ASN HB2 . . 4.280 4.324 4.118 4.368 0.088 19 0 "[ . 1 . 2]" 1
103 1 7 LYS HB2 1 10 ASN HB3 . . 3.890 2.913 2.750 3.065 . 0 0 "[ . 1 . 2]" 1
104 1 7 LYS HB2 1 10 ASN QD . . 4.430 2.634 2.145 2.889 . 0 0 "[ . 1 . 2]" 1
105 1 7 LYS HB2 1 11 VAL H . . 5.390 4.542 4.125 5.054 . 0 0 "[ . 1 . 2]" 1
106 1 7 LYS HB3 1 8 ALA H . . 3.700 2.456 2.004 3.034 . 0 0 "[ . 1 . 2]" 1
107 1 7 LYS HB3 1 8 ALA HA . . 4.960 4.779 4.571 5.010 0.050 6 0 "[ . 1 . 2]" 1
108 1 7 LYS HB3 1 9 GLU H . . 3.830 2.723 2.296 3.054 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS QD 1 9 GLU H . . 4.850 4.683 4.351 4.773 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS QE 1 7 LYS HG2 . . 3.740 2.897 2.222 3.484 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS QE 1 8 ALA H . . 5.500 4.687 2.839 5.374 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QE 1 10 ASN H . . 5.500 4.111 3.084 5.306 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS QE 1 10 ASN QD . . 5.500 4.280 3.364 4.758 . 0 0 "[ . 1 . 2]" 1
114 1 8 ALA H 1 8 ALA MB . . 2.850 2.271 2.177 2.419 . 0 0 "[ . 1 . 2]" 1
115 1 8 ALA H 1 9 GLU H . . 3.580 2.495 2.042 2.888 . 0 0 "[ . 1 . 2]" 1
116 1 8 ALA H 1 10 ASN H . . 5.240 4.201 3.853 4.538 . 0 0 "[ . 1 . 2]" 1
117 1 8 ALA H 1 11 VAL H . . 5.500 5.498 5.375 5.585 0.085 14 0 "[ . 1 . 2]" 1
118 1 8 ALA H 1 36 LEU QD . . 4.100 3.355 2.891 4.129 0.029 20 0 "[ . 1 . 2]" 1
119 1 8 ALA HA 1 10 ASN H . . 4.350 4.213 3.870 4.426 0.076 13 0 "[ . 1 . 2]" 1
120 1 8 ALA HA 1 11 VAL H . . 4.010 4.024 3.691 4.095 0.085 13 0 "[ . 1 . 2]" 1
121 1 8 ALA HA 1 11 VAL HB . . 3.460 3.387 2.872 3.543 0.083 7 0 "[ . 1 . 2]" 1
122 1 8 ALA HA 1 11 VAL MG1 . . 4.920 4.341 3.782 4.558 . 0 0 "[ . 1 . 2]" 1
123 1 8 ALA HA 1 11 VAL MG2 . . 3.360 2.910 2.170 3.322 . 0 0 "[ . 1 . 2]" 1
124 1 8 ALA MB 1 9 GLU H . . 3.310 2.606 2.269 3.394 0.084 14 0 "[ . 1 . 2]" 1
125 1 8 ALA MB 1 9 GLU HA . . 4.570 3.719 3.511 4.168 . 0 0 "[ . 1 . 2]" 1
126 1 8 ALA MB 1 11 VAL H . . 5.500 4.801 4.667 5.157 . 0 0 "[ . 1 . 2]" 1
127 1 8 ALA MB 1 32 ILE MD . . 4.140 4.110 3.655 4.254 0.114 7 0 "[ . 1 . 2]" 1
128 1 8 ALA MB 1 33 GLN H . . 4.910 4.111 3.397 4.808 . 0 0 "[ . 1 . 2]" 1
129 1 8 ALA MB 1 33 GLN HA . . 3.800 3.377 2.792 3.876 0.076 13 0 "[ . 1 . 2]" 1
130 1 8 ALA MB 1 33 GLN QB . . 4.400 4.208 3.524 4.533 0.133 17 0 "[ . 1 . 2]" 1
131 1 8 ALA MB 1 33 GLN HE21 . . 5.440 3.704 2.463 4.540 . 0 0 "[ . 1 . 2]" 1
132 1 8 ALA MB 1 33 GLN HE22 . . 5.500 4.637 3.255 5.603 0.103 20 0 "[ . 1 . 2]" 1
133 1 8 ALA MB 1 33 GLN HG2 . . 4.210 2.748 2.068 3.485 . 0 0 "[ . 1 . 2]" 1
134 1 8 ALA MB 1 33 GLN HG3 . . 4.070 3.512 2.428 4.170 0.100 20 0 "[ . 1 . 2]" 1
135 1 8 ALA MB 1 36 LEU QD . . 3.150 2.282 1.853 3.205 0.055 20 0 "[ . 1 . 2]" 1
136 1 9 GLU H 1 9 GLU QB . . 3.010 2.453 2.183 2.924 . 0 0 "[ . 1 . 2]" 1
137 1 9 GLU H 1 9 GLU HG2 . . 3.560 2.202 1.914 2.449 . 0 0 "[ . 1 . 2]" 1
138 1 9 GLU H 1 9 GLU HG3 . . 3.660 3.419 2.870 3.710 0.050 11 0 "[ . 1 . 2]" 1
139 1 9 GLU H 1 10 ASN H . . 3.510 2.776 1.984 3.105 . 0 0 "[ . 1 . 2]" 1
140 1 9 GLU H 1 10 ASN HA . . 5.500 5.365 4.679 5.582 0.082 11 0 "[ . 1 . 2]" 1
141 1 9 GLU H 1 10 ASN HB3 . . 5.500 4.891 4.038 5.282 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLU H 1 10 ASN QD . . 5.500 4.007 3.228 4.402 . 0 0 "[ . 1 . 2]" 1
143 1 9 GLU H 1 11 VAL H . . 4.780 4.281 3.327 4.578 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLU H 1 11 VAL MG2 . . 5.270 4.818 4.166 5.312 0.042 3 0 "[ . 1 . 2]" 1
145 1 9 GLU HA 1 9 GLU QB . . 2.570 2.168 2.140 2.201 . 0 0 "[ . 1 . 2]" 1
146 1 9 GLU HA 1 9 GLU HG2 . . 3.980 3.740 3.618 3.978 . 0 0 "[ . 1 . 2]" 1
147 1 9 GLU HA 1 9 GLU HG3 . . 3.710 3.754 3.619 3.788 0.078 10 0 "[ . 1 . 2]" 1
148 1 9 GLU HA 1 11 VAL H . . 4.210 3.714 3.364 4.166 . 0 0 "[ . 1 . 2]" 1
149 1 9 GLU QB 1 10 ASN H . . 4.100 3.798 3.623 3.972 . 0 0 "[ . 1 . 2]" 1
150 1 9 GLU QB 1 10 ASN QD . . 5.500 5.207 4.952 5.374 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLU HG2 1 10 ASN H . . 4.030 3.057 2.518 3.988 . 0 0 "[ . 1 . 2]" 1
152 1 9 GLU HG3 1 10 ASN H . . 3.950 3.154 2.713 4.022 0.072 14 0 "[ . 1 . 2]" 1
153 1 9 GLU HG3 1 10 ASN HA . . 5.500 3.891 3.375 4.671 . 0 0 "[ . 1 . 2]" 1
154 1 10 ASN H 1 10 ASN HB2 . . 3.670 3.655 3.559 3.758 0.088 14 0 "[ . 1 . 2]" 1
155 1 10 ASN H 1 10 ASN HB3 . . 3.310 2.676 2.501 3.003 . 0 0 "[ . 1 . 2]" 1
156 1 10 ASN H 1 10 ASN QD . . 5.180 1.969 1.658 2.221 . 0 0 "[ . 1 . 2]" 1
157 1 10 ASN H 1 11 VAL H . . 3.110 2.430 1.959 2.721 . 0 0 "[ . 1 . 2]" 1
158 1 10 ASN H 1 11 VAL MG2 . . 4.140 3.604 3.289 4.056 . 0 0 "[ . 1 . 2]" 1
159 1 10 ASN H 1 67 ASN HD22 . . 5.080 5.160 5.142 5.170 0.090 11 0 "[ . 1 . 2]" 1
160 1 10 ASN HA 1 10 ASN QD . . 3.650 3.543 3.437 3.620 . 0 0 "[ . 1 . 2]" 1
161 1 10 ASN HA 1 11 VAL HA . . 4.700 4.739 4.676 4.776 0.076 6 0 "[ . 1 . 2]" 1
162 1 10 ASN HB2 1 11 VAL H . . 4.800 4.482 4.366 4.535 . 0 0 "[ . 1 . 2]" 1
163 1 10 ASN HB2 1 11 VAL MG2 . . 5.450 4.994 4.659 5.287 . 0 0 "[ . 1 . 2]" 1
164 1 10 ASN HB2 1 66 ASN HA . . 5.150 5.034 4.516 5.236 0.086 15 0 "[ . 1 . 2]" 1
165 1 10 ASN HB2 1 66 ASN HB2 . . 4.820 3.988 3.732 4.404 . 0 0 "[ . 1 . 2]" 1
166 1 10 ASN HB2 1 66 ASN HB3 . . 5.500 5.416 3.761 5.574 0.074 3 0 "[ . 1 . 2]" 1
167 1 10 ASN HB2 1 67 ASN H . . 4.740 3.989 3.044 4.793 0.053 8 0 "[ . 1 . 2]" 1
168 1 10 ASN HB2 1 67 ASN HD21 . . 5.500 3.736 2.194 4.044 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASN HB2 1 67 ASN HD22 . . 5.180 2.354 2.006 2.736 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASN HB3 1 11 VAL H . . 4.550 4.408 4.163 4.545 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASN HB3 1 11 VAL MG2 . . 5.090 5.076 4.862 5.177 0.087 19 0 "[ . 1 . 2]" 1
172 1 10 ASN HB3 1 67 ASN HD22 . . 5.240 3.512 3.189 3.706 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN QD 1 11 VAL H . . 4.650 2.320 2.006 2.637 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN QD 1 11 VAL HB . . 5.000 3.611 3.320 3.917 . 0 0 "[ . 1 . 2]" 1
175 1 10 ASN QD 1 67 ASN HD22 . . 4.790 3.526 3.139 4.072 . 0 0 "[ . 1 . 2]" 1
176 1 11 VAL H 1 11 VAL HB . . 3.060 2.279 2.000 2.575 . 0 0 "[ . 1 . 2]" 1
177 1 11 VAL H 1 11 VAL MG2 . . 3.290 2.635 2.452 2.885 . 0 0 "[ . 1 . 2]" 1
178 1 11 VAL H 1 12 ASP H . . 5.010 4.428 4.230 4.567 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL H 1 66 ASN HA . . 5.500 4.835 4.626 5.066 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL HA 1 11 VAL MG1 . . 3.440 2.563 2.307 2.689 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL HA 1 11 VAL MG2 . . 3.180 2.317 2.194 2.509 . 0 0 "[ . 1 . 2]" 1
182 1 11 VAL HA 1 12 ASP H . . 2.750 2.151 2.059 2.281 . 0 0 "[ . 1 . 2]" 1
183 1 11 VAL HA 1 13 SER H . . 4.260 4.176 3.706 4.327 0.067 17 0 "[ . 1 . 2]" 1
184 1 11 VAL HA 1 66 ASN H . . 5.020 4.689 4.524 4.933 . 0 0 "[ . 1 . 2]" 1
185 1 11 VAL HA 1 66 ASN HA . . 3.410 2.338 2.152 2.617 . 0 0 "[ . 1 . 2]" 1
186 1 11 VAL HA 1 66 ASN HB2 . . 3.740 2.997 2.640 3.781 0.041 10 0 "[ . 1 . 2]" 1
187 1 11 VAL HA 1 66 ASN HB3 . . 3.570 2.398 2.086 2.668 . 0 0 "[ . 1 . 2]" 1
188 1 11 VAL HA 1 67 ASN H . . 5.110 4.067 3.723 4.649 . 0 0 "[ . 1 . 2]" 1
189 1 11 VAL HB 1 12 ASP H . . 4.840 4.261 4.018 4.484 . 0 0 "[ . 1 . 2]" 1
190 1 11 VAL HB 1 32 ILE MD . . 4.190 2.733 2.094 3.699 . 0 0 "[ . 1 . 2]" 1
191 1 11 VAL MG1 1 12 ASP H . . 3.700 2.722 2.228 3.171 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL MG1 1 13 SER H . . 3.240 2.815 2.574 3.106 . 0 0 "[ . 1 . 2]" 1
193 1 11 VAL MG1 1 13 SER HB2 . . 5.020 4.807 4.356 5.091 0.071 6 0 "[ . 1 . 2]" 1
194 1 11 VAL MG1 1 14 ILE H . . 5.250 3.615 2.765 4.103 . 0 0 "[ . 1 . 2]" 1
195 1 11 VAL MG1 1 14 ILE HG13 . . 3.600 2.205 2.030 2.482 . 0 0 "[ . 1 . 2]" 1
196 1 11 VAL MG1 1 32 ILE MD . . 3.690 2.363 2.094 3.724 0.034 7 0 "[ . 1 . 2]" 1
197 1 11 VAL MG1 1 65 GLU H . . 4.160 3.614 3.174 4.257 0.097 6 0 "[ . 1 . 2]" 1
198 1 11 VAL MG2 1 12 ASP H . . 4.730 3.864 3.587 4.187 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL MG2 1 66 ASN HA . . 4.760 3.865 3.605 4.348 . 0 0 "[ . 1 . 2]" 1
200 1 11 VAL MG2 1 66 ASN HB2 . . 3.970 3.257 2.713 3.894 . 0 0 "[ . 1 . 2]" 1
201 1 11 VAL MG2 1 66 ASN HB3 . . 3.690 2.330 2.107 2.657 . 0 0 "[ . 1 . 2]" 1
202 1 11 VAL MG2 1 67 ASN H . . 5.500 5.143 4.781 5.444 . 0 0 "[ . 1 . 2]" 1
203 1 12 ASP H 1 12 ASP QB . . 3.330 2.245 2.107 2.464 . 0 0 "[ . 1 . 2]" 1
204 1 12 ASP H 1 13 SER H . . 3.190 2.435 2.199 2.588 . 0 0 "[ . 1 . 2]" 1
205 1 12 ASP H 1 65 GLU H . . 5.500 4.597 4.167 5.050 . 0 0 "[ . 1 . 2]" 1
206 1 12 ASP H 1 65 GLU HB2 . . 5.500 5.237 4.856 5.565 0.065 6 0 "[ . 1 . 2]" 1
207 1 12 ASP H 1 65 GLU QG . . 5.210 3.643 2.995 4.042 . 0 0 "[ . 1 . 2]" 1
208 1 12 ASP H 1 66 ASN H . . 5.500 4.406 4.090 4.649 . 0 0 "[ . 1 . 2]" 1
209 1 12 ASP H 1 66 ASN HA . . 3.540 2.485 1.972 2.785 . 0 0 "[ . 1 . 2]" 1
210 1 12 ASP H 1 66 ASN HB2 . . 5.480 4.453 4.008 5.018 . 0 0 "[ . 1 . 2]" 1
211 1 12 ASP H 1 67 ASN H . . 5.220 4.375 3.230 5.300 0.080 2 0 "[ . 1 . 2]" 1
212 1 12 ASP HA 1 32 ILE MD . . 5.290 4.794 4.260 5.362 0.072 7 0 "[ . 1 . 2]" 1
213 1 12 ASP QB 1 13 SER H . . 3.760 2.371 2.048 2.707 . 0 0 "[ . 1 . 2]" 1
214 1 12 ASP QB 1 65 GLU H . . 5.250 4.717 4.391 5.056 . 0 0 "[ . 1 . 2]" 1
215 1 13 SER H 1 14 ILE H . . 5.000 4.317 3.948 4.470 . 0 0 "[ . 1 . 2]" 1
216 1 13 SER H 1 14 ILE HG13 . . 5.420 4.855 4.383 5.451 0.031 5 0 "[ . 1 . 2]" 1
217 1 13 SER H 1 32 ILE MD . . 5.170 4.763 4.240 5.250 0.080 7 0 "[ . 1 . 2]" 1
218 1 13 SER H 1 64 ILE MG . . 4.700 4.716 4.524 4.814 0.114 6 0 "[ . 1 . 2]" 1
219 1 13 SER H 1 65 GLU H . . 3.970 3.443 3.192 3.918 . 0 0 "[ . 1 . 2]" 1
220 1 13 SER H 1 65 GLU HB2 . . 3.960 3.920 3.415 4.038 0.078 3 0 "[ . 1 . 2]" 1
221 1 13 SER H 1 65 GLU HB3 . . 3.550 2.205 1.847 2.323 . 0 0 "[ . 1 . 2]" 1
222 1 13 SER H 1 65 GLU QG . . 3.310 3.395 3.371 3.412 0.102 11 0 "[ . 1 . 2]" 1
223 1 13 SER HA 1 14 ILE H . . 3.070 2.388 2.119 2.591 . 0 0 "[ . 1 . 2]" 1
224 1 13 SER HA 1 14 ILE HB . . 4.880 4.758 4.367 4.953 0.073 1 0 "[ . 1 . 2]" 1
225 1 13 SER HA 1 32 ILE MD . . 3.130 2.998 2.307 3.249 0.119 19 0 "[ . 1 . 2]" 1
226 1 13 SER HA 1 32 ILE QG . . 4.520 3.919 3.310 4.283 . 0 0 "[ . 1 . 2]" 1
227 1 13 SER HB2 1 14 ILE H . . 3.470 2.940 2.351 3.552 0.082 3 0 "[ . 1 . 2]" 1
228 1 13 SER HB2 1 15 CYS H . . 5.500 5.287 4.665 5.565 0.065 17 0 "[ . 1 . 2]" 1
229 1 13 SER HB2 1 25 ILE MG . . 3.790 2.521 2.043 3.449 . 0 0 "[ . 1 . 2]" 1
230 1 13 SER HB2 1 26 TYR H . . 5.410 4.242 3.176 5.473 0.063 10 0 "[ . 1 . 2]" 1
231 1 13 SER HB2 1 27 ASP HB2 . . 4.970 4.367 2.957 5.043 0.073 1 0 "[ . 1 . 2]" 1
232 1 13 SER HB2 1 27 ASP HB3 . . 4.200 3.819 2.822 5.046 0.846 13 4 "[ .- * 1 +*. 2]" 1
233 1 13 SER HB2 1 32 ILE MD . . 5.500 5.180 4.299 5.594 0.094 10 0 "[ . 1 . 2]" 1
234 1 13 SER HB3 1 14 ILE H . . 4.020 3.499 2.291 4.086 0.066 16 0 "[ . 1 . 2]" 1
235 1 13 SER HB3 1 25 ILE MG . . 4.550 3.062 2.238 3.752 . 0 0 "[ . 1 . 2]" 1
236 1 13 SER HB3 1 26 TYR H . . 5.500 4.919 3.766 5.567 0.067 8 0 "[ . 1 . 2]" 1
237 1 13 SER HB3 1 27 ASP HB2 . . 4.780 3.262 2.149 4.151 . 0 0 "[ . 1 . 2]" 1
238 1 13 SER HB3 1 27 ASP HB3 . . 4.590 2.975 2.100 4.850 0.260 8 0 "[ . 1 . 2]" 1
239 1 14 ILE H 1 14 ILE HB . . 3.430 2.637 2.352 2.893 . 0 0 "[ . 1 . 2]" 1
240 1 14 ILE H 1 14 ILE HG12 . . 4.740 3.912 3.385 4.428 . 0 0 "[ . 1 . 2]" 1
241 1 14 ILE H 1 14 ILE HG13 . . 4.350 2.805 2.173 3.302 . 0 0 "[ . 1 . 2]" 1
242 1 14 ILE H 1 15 CYS HA . . 5.500 4.900 4.663 5.284 . 0 0 "[ . 1 . 2]" 1
243 1 14 ILE H 1 26 TYR H . . 3.980 2.989 2.649 3.417 . 0 0 "[ . 1 . 2]" 1
244 1 14 ILE H 1 26 TYR QB . . 3.950 3.350 2.843 3.789 . 0 0 "[ . 1 . 2]" 1
245 1 14 ILE H 1 26 TYR QD . . 5.330 4.507 4.013 4.857 . 0 0 "[ . 1 . 2]" 1
246 1 14 ILE H 1 32 ILE MD . . 4.300 3.902 3.416 4.385 0.085 6 0 "[ . 1 . 2]" 1
247 1 14 ILE H 1 32 ILE QG . . 4.220 3.650 2.998 4.286 0.066 8 0 "[ . 1 . 2]" 1
248 1 14 ILE H 1 35 ILE MD . . 5.500 4.953 4.418 5.427 . 0 0 "[ . 1 . 2]" 1
249 1 14 ILE HA 1 14 ILE HG12 . . 3.620 2.599 2.333 2.855 . 0 0 "[ . 1 . 2]" 1
250 1 14 ILE HA 1 14 ILE HG13 . . 4.110 3.081 2.710 3.286 . 0 0 "[ . 1 . 2]" 1
251 1 14 ILE HA 1 14 ILE MG . . 3.370 2.451 2.332 2.601 . 0 0 "[ . 1 . 2]" 1
252 1 14 ILE HA 1 15 CYS H . . 2.860 2.199 1.919 2.317 . 0 0 "[ . 1 . 2]" 1
253 1 14 ILE HA 1 15 CYS QB . . 4.950 4.107 3.883 4.315 . 0 0 "[ . 1 . 2]" 1
254 1 14 ILE HA 1 63 ASN H . . 5.500 4.576 4.352 4.863 . 0 0 "[ . 1 . 2]" 1
255 1 14 ILE HA 1 64 ILE HA . . 3.330 2.466 2.135 2.713 . 0 0 "[ . 1 . 2]" 1
256 1 14 ILE HA 1 65 GLU H . . 3.760 3.022 2.734 3.316 . 0 0 "[ . 1 . 2]" 1
257 1 14 ILE HB 1 14 ILE MD . . 2.810 2.452 2.299 2.582 . 0 0 "[ . 1 . 2]" 1
258 1 14 ILE HB 1 15 CYS H . . 4.670 4.055 3.581 4.265 . 0 0 "[ . 1 . 2]" 1
259 1 14 ILE HB 1 26 TYR H . . 4.820 3.316 2.925 3.666 . 0 0 "[ . 1 . 2]" 1
260 1 14 ILE HB 1 26 TYR QB . . 3.330 2.156 2.002 2.441 . 0 0 "[ . 1 . 2]" 1
261 1 14 ILE HB 1 26 TYR QD . . 3.190 3.167 2.819 3.287 0.097 9 0 "[ . 1 . 2]" 1
262 1 14 ILE HB 1 35 ILE MD . . 4.340 2.958 2.386 3.363 . 0 0 "[ . 1 . 2]" 1
263 1 14 ILE MD 1 32 ILE HA . . 3.270 2.488 2.161 2.998 . 0 0 "[ . 1 . 2]" 1
264 1 14 ILE MD 1 35 ILE MD . . 4.030 2.411 2.013 2.878 . 0 0 "[ . 1 . 2]" 1
265 1 14 ILE MD 1 36 LEU H . . 4.360 4.023 3.293 4.421 0.061 14 0 "[ . 1 . 2]" 1
266 1 14 ILE MD 1 64 ILE HA . . 4.450 4.079 3.629 4.527 0.077 12 0 "[ . 1 . 2]" 1
267 1 14 ILE HG12 1 15 CYS H . . 4.740 4.402 3.938 4.705 . 0 0 "[ . 1 . 2]" 1
268 1 14 ILE HG12 1 64 ILE HA . . 3.680 2.553 2.171 3.119 . 0 0 "[ . 1 . 2]" 1
269 1 14 ILE HG12 1 64 ILE MD . . 4.480 3.846 3.170 4.354 . 0 0 "[ . 1 . 2]" 1
270 1 14 ILE HG12 1 64 ILE HG12 . . 3.540 2.550 2.214 2.849 . 0 0 "[ . 1 . 2]" 1
271 1 14 ILE HG12 1 64 ILE HG13 . . 4.180 4.086 3.746 4.249 0.069 10 0 "[ . 1 . 2]" 1
272 1 14 ILE HG12 1 65 GLU H . . 4.840 4.099 3.397 4.880 0.040 12 0 "[ . 1 . 2]" 1
273 1 14 ILE HG13 1 26 TYR QD . . 5.500 5.419 4.993 5.588 0.088 8 0 "[ . 1 . 2]" 1
274 1 14 ILE HG13 1 32 ILE QG . . 3.830 2.727 2.179 3.898 0.068 17 0 "[ . 1 . 2]" 1
275 1 14 ILE HG13 1 35 ILE MD . . 5.500 4.290 3.877 4.848 . 0 0 "[ . 1 . 2]" 1
276 1 14 ILE HG13 1 64 ILE HA . . 4.580 3.889 3.162 4.447 . 0 0 "[ . 1 . 2]" 1
277 1 14 ILE MG 1 15 CYS H . . 3.460 2.501 2.060 2.817 . 0 0 "[ . 1 . 2]" 1
278 1 14 ILE MG 1 15 CYS HA . . 4.060 3.703 3.228 4.024 . 0 0 "[ . 1 . 2]" 1
279 1 14 ILE MG 1 15 CYS QB . . 4.790 4.198 4.025 4.447 . 0 0 "[ . 1 . 2]" 1
280 1 14 ILE MG 1 16 ILE H . . 4.650 4.127 3.677 4.428 . 0 0 "[ . 1 . 2]" 1
281 1 14 ILE MG 1 26 TYR H . . 5.170 4.089 3.697 4.531 . 0 0 "[ . 1 . 2]" 1
282 1 14 ILE MG 1 26 TYR QB . . 4.170 3.378 2.951 3.876 . 0 0 "[ . 1 . 2]" 1
283 1 14 ILE MG 1 26 TYR QD . . 3.660 3.063 2.290 3.686 0.026 11 0 "[ . 1 . 2]" 1
284 1 14 ILE MG 1 35 ILE MD . . 3.950 2.314 2.173 2.728 . 0 0 "[ . 1 . 2]" 1
285 1 14 ILE MG 1 63 ASN H . . 4.360 3.437 3.127 3.735 . 0 0 "[ . 1 . 2]" 1
286 1 14 ILE MG 1 64 ILE HA . . 3.800 3.042 2.460 3.678 . 0 0 "[ . 1 . 2]" 1
287 1 15 CYS H 1 15 CYS QB . . 3.400 2.552 2.334 2.686 . 0 0 "[ . 1 . 2]" 1
288 1 15 CYS H 1 16 ILE H . . 5.090 4.334 4.064 4.485 . 0 0 "[ . 1 . 2]" 1
289 1 15 CYS H 1 25 ILE HA . . 4.910 4.857 4.751 4.960 0.050 1 0 "[ . 1 . 2]" 1
290 1 15 CYS H 1 35 ILE MD . . 5.500 5.531 5.300 5.609 0.109 12 0 "[ . 1 . 2]" 1
291 1 15 CYS H 1 62 ILE MG . . 5.310 4.078 3.496 4.717 . 0 0 "[ . 1 . 2]" 1
292 1 15 CYS H 1 63 ASN H . . 3.930 2.929 2.789 3.079 . 0 0 "[ . 1 . 2]" 1
293 1 15 CYS H 1 63 ASN HB2 . . 4.390 3.144 2.306 3.756 . 0 0 "[ . 1 . 2]" 1
294 1 15 CYS H 1 63 ASN HB3 . . 4.780 4.408 3.946 4.868 0.088 15 0 "[ . 1 . 2]" 1
295 1 15 CYS H 1 64 ILE H . . 5.040 5.047 4.865 5.118 0.078 4 0 "[ . 1 . 2]" 1
296 1 15 CYS H 1 64 ILE HA . . 4.260 3.781 3.499 4.151 . 0 0 "[ . 1 . 2]" 1
297 1 15 CYS HA 1 16 ILE H . . 2.810 2.236 2.152 2.328 . 0 0 "[ . 1 . 2]" 1
298 1 15 CYS HA 1 24 LYS H . . 5.500 4.803 4.362 5.399 . 0 0 "[ . 1 . 2]" 1
299 1 15 CYS HA 1 25 ILE H . . 5.480 4.942 4.709 5.143 . 0 0 "[ . 1 . 2]" 1
300 1 15 CYS HA 1 25 ILE HA . . 3.050 2.351 2.145 2.567 . 0 0 "[ . 1 . 2]" 1
301 1 15 CYS HA 1 25 ILE MD . . 4.690 4.245 1.996 4.764 0.074 17 0 "[ . 1 . 2]" 1
302 1 15 CYS HA 1 25 ILE HG12 . . 4.150 3.921 2.902 4.227 0.077 15 0 "[ . 1 . 2]" 1
303 1 15 CYS HA 1 25 ILE HG13 . . 4.760 2.947 2.400 4.080 . 0 0 "[ . 1 . 2]" 1
304 1 15 CYS HA 1 26 TYR H . . 4.190 3.601 3.252 3.895 . 0 0 "[ . 1 . 2]" 1
305 1 15 CYS HA 1 26 TYR QD . . 4.090 3.616 3.132 4.054 . 0 0 "[ . 1 . 2]" 1
306 1 15 CYS QB 1 16 ILE H . . 4.450 3.656 3.295 3.944 . 0 0 "[ . 1 . 2]" 1
307 1 15 CYS QB 1 25 ILE HG12 . . 4.410 3.796 2.946 4.404 . 0 0 "[ . 1 . 2]" 1
308 1 15 CYS QB 1 25 ILE HG13 . . 5.390 3.537 2.673 4.541 . 0 0 "[ . 1 . 2]" 1
309 1 15 CYS QB 1 63 ASN H . . 4.770 3.311 2.652 3.891 . 0 0 "[ . 1 . 2]" 1
310 1 15 CYS QB 1 63 ASN QD . . 5.160 3.022 2.075 3.866 . 0 0 "[ . 1 . 2]" 1
311 1 16 ILE H 1 16 ILE HB . . 3.450 2.776 2.599 2.874 . 0 0 "[ . 1 . 2]" 1
312 1 16 ILE H 1 16 ILE MD . . 4.650 4.354 4.148 4.498 . 0 0 "[ . 1 . 2]" 1
313 1 16 ILE H 1 16 ILE HG12 . . 4.120 3.876 3.593 4.046 . 0 0 "[ . 1 . 2]" 1
314 1 16 ILE H 1 16 ILE HG13 . . 4.630 3.032 2.704 3.214 . 0 0 "[ . 1 . 2]" 1
315 1 16 ILE H 1 16 ILE MG . . 4.650 3.914 3.851 3.956 . 0 0 "[ . 1 . 2]" 1
316 1 16 ILE H 1 17 ASP H . . 5.500 3.999 3.760 4.286 . 0 0 "[ . 1 . 2]" 1
317 1 16 ILE H 1 23 GLN HA . . 5.500 4.612 4.179 4.923 . 0 0 "[ . 1 . 2]" 1
318 1 16 ILE H 1 23 GLN HG3 . . 5.500 3.964 2.849 4.775 . 0 0 "[ . 1 . 2]" 1
319 1 16 ILE H 1 24 LYS H . . 3.950 3.084 2.700 3.506 . 0 0 "[ . 1 . 2]" 1
320 1 16 ILE H 1 25 ILE H . . 5.500 5.026 4.707 5.327 . 0 0 "[ . 1 . 2]" 1
321 1 16 ILE H 1 25 ILE HA . . 4.420 3.403 2.855 3.697 . 0 0 "[ . 1 . 2]" 1
322 1 16 ILE H 1 25 ILE HG13 . . 4.860 3.981 3.361 4.960 0.100 15 0 "[ . 1 . 2]" 1
323 1 16 ILE H 1 26 TYR QD . . 5.280 3.740 3.153 4.145 . 0 0 "[ . 1 . 2]" 1
324 1 16 ILE H 1 26 TYR QE . . 3.520 3.348 2.782 3.618 0.098 15 0 "[ . 1 . 2]" 1
325 1 16 ILE HA 1 16 ILE MD . . 4.010 3.778 3.716 3.869 . 0 0 "[ . 1 . 2]" 1
326 1 16 ILE HA 1 16 ILE HG12 . . 4.130 2.434 2.381 2.534 . 0 0 "[ . 1 . 2]" 1
327 1 16 ILE HA 1 16 ILE HG13 . . 3.620 3.194 3.128 3.372 . 0 0 "[ . 1 . 2]" 1
328 1 16 ILE HA 1 16 ILE MG . . 3.190 2.415 2.309 2.468 . 0 0 "[ . 1 . 2]" 1
329 1 16 ILE HA 1 17 ASP H . . 2.790 2.125 2.085 2.185 . 0 0 "[ . 1 . 2]" 1
330 1 16 ILE HA 1 62 ILE HA . . 3.410 2.581 2.424 2.817 . 0 0 "[ . 1 . 2]" 1
331 1 16 ILE HA 1 62 ILE HG12 . . 5.190 4.598 4.159 4.951 . 0 0 "[ . 1 . 2]" 1
332 1 16 ILE HA 1 63 ASN H . . 4.360 3.779 3.356 4.113 . 0 0 "[ . 1 . 2]" 1
333 1 16 ILE HB 1 17 ASP H . . 4.520 4.379 4.217 4.463 . 0 0 "[ . 1 . 2]" 1
334 1 16 ILE HB 1 18 PHE QD . . 4.540 3.967 3.596 4.429 . 0 0 "[ . 1 . 2]" 1
335 1 16 ILE HB 1 18 PHE HE1 . . 4.190 2.961 2.457 3.672 . 0 0 "[ . 1 . 2]" 1
336 1 16 ILE HB 1 26 TYR QE . . 3.730 2.146 2.027 2.303 . 0 0 "[ . 1 . 2]" 1
337 1 16 ILE MD 1 16 ILE MG . . 3.330 2.062 2.037 2.083 . 0 0 "[ . 1 . 2]" 1
338 1 16 ILE MD 1 17 ASP H . . 5.500 5.311 5.072 5.407 . 0 0 "[ . 1 . 2]" 1
339 1 16 ILE MD 1 26 TYR QE . . 2.820 2.721 2.390 2.917 0.097 12 0 "[ . 1 . 2]" 1
340 1 16 ILE MD 1 35 ILE MD . . 3.860 2.163 2.026 2.641 . 0 0 "[ . 1 . 2]" 1
341 1 16 ILE MD 1 62 ILE HA . . 4.330 4.351 3.974 4.426 0.096 18 0 "[ . 1 . 2]" 1
342 1 16 ILE MD 1 98 PHE QE . . 2.810 2.200 2.039 2.467 . 0 0 "[ . 1 . 2]" 1
343 1 16 ILE MD 1 102 ILE MD . . 3.330 2.349 2.086 2.769 . 0 0 "[ . 1 . 2]" 1
344 1 16 ILE MD 1 102 ILE MG . . 3.900 2.865 2.502 3.146 . 0 0 "[ . 1 . 2]" 1
345 1 16 ILE HG12 1 26 TYR QD . . 4.700 4.586 3.864 4.775 0.075 17 0 "[ . 1 . 2]" 1
346 1 16 ILE HG12 1 26 TYR QE . . 5.500 4.192 3.485 4.634 . 0 0 "[ . 1 . 2]" 1
347 1 16 ILE HG12 1 62 ILE HA . . 4.800 2.932 2.496 3.288 . 0 0 "[ . 1 . 2]" 1
348 1 16 ILE HG12 1 62 ILE MG . . 3.800 2.237 2.079 2.489 . 0 0 "[ . 1 . 2]" 1
349 1 16 ILE HG13 1 17 ASP H . . 5.320 5.218 5.125 5.370 0.050 1 0 "[ . 1 . 2]" 1
350 1 16 ILE HG13 1 26 TYR QD . . 3.780 2.881 2.376 3.108 . 0 0 "[ . 1 . 2]" 1
351 1 16 ILE HG13 1 26 TYR QE . . 3.370 2.759 2.028 3.345 . 0 0 "[ . 1 . 2]" 1
352 1 16 ILE HG13 1 35 ILE MD . . 5.500 3.309 2.878 3.659 . 0 0 "[ . 1 . 2]" 1
353 1 16 ILE HG13 1 62 ILE HA . . 4.640 4.348 4.033 4.759 0.119 1 0 "[ . 1 . 2]" 1
354 1 16 ILE HG13 1 62 ILE MG . . 4.110 3.470 3.199 3.682 . 0 0 "[ . 1 . 2]" 1
355 1 16 ILE HG13 1 63 ASN H . . 4.760 4.719 4.291 5.146 0.386 1 0 "[ . 1 . 2]" 1
356 1 16 ILE MG 1 17 ASP H . . 3.530 3.116 2.723 3.382 . 0 0 "[ . 1 . 2]" 1
357 1 16 ILE MG 1 18 PHE H . . 5.000 3.998 3.692 4.275 . 0 0 "[ . 1 . 2]" 1
358 1 16 ILE MG 1 18 PHE HA . . 4.150 3.326 3.050 3.560 . 0 0 "[ . 1 . 2]" 1
359 1 16 ILE MG 1 18 PHE HB2 . . 5.500 4.936 4.617 5.328 . 0 0 "[ . 1 . 2]" 1
360 1 16 ILE MG 1 18 PHE QD . . 3.360 3.016 2.592 3.449 0.089 3 0 "[ . 1 . 2]" 1
361 1 16 ILE MG 1 18 PHE HE1 . . 3.650 3.063 2.670 3.562 . 0 0 "[ . 1 . 2]" 1
362 1 16 ILE MG 1 19 THR H . . 5.500 5.437 5.073 5.585 0.085 14 0 "[ . 1 . 2]" 1
363 1 16 ILE MG 1 24 LYS H . . 5.500 4.252 4.038 4.472 . 0 0 "[ . 1 . 2]" 1
364 1 16 ILE MG 1 26 TYR QE . . 4.040 3.637 3.415 3.805 . 0 0 "[ . 1 . 2]" 1
365 1 16 ILE MG 1 61 THR H . . 5.090 4.097 3.391 4.569 . 0 0 "[ . 1 . 2]" 1
366 1 16 ILE MG 1 62 ILE HA . . 4.550 3.620 3.111 3.846 . 0 0 "[ . 1 . 2]" 1
367 1 16 ILE MG 1 62 ILE HG12 . . 4.960 3.294 2.732 3.800 . 0 0 "[ . 1 . 2]" 1
368 1 16 ILE MG 1 62 ILE HG13 . . 5.360 2.455 2.121 3.395 . 0 0 "[ . 1 . 2]" 1
369 1 16 ILE MG 1 63 ASN H . . 5.500 5.181 4.720 5.467 . 0 0 "[ . 1 . 2]" 1
370 1 16 ILE MG 1 98 PHE QE . . 3.570 3.106 2.478 3.676 0.106 19 0 "[ . 1 . 2]" 1
371 1 16 ILE MG 1 102 ILE MG . . 4.150 4.198 3.795 4.278 0.128 10 0 "[ . 1 . 2]" 1
372 1 17 ASP H 1 17 ASP HB2 . . 3.600 2.438 2.208 2.786 . 0 0 "[ . 1 . 2]" 1
373 1 17 ASP H 1 17 ASP HB3 . . 3.560 3.080 2.479 3.489 . 0 0 "[ . 1 . 2]" 1
374 1 17 ASP H 1 23 GLN HA . . 5.500 4.697 4.543 4.931 . 0 0 "[ . 1 . 2]" 1
375 1 17 ASP H 1 60 GLY HA2 . . 5.500 5.302 4.977 5.984 0.484 17 0 "[ . 1 . 2]" 1
376 1 17 ASP H 1 61 THR H . . 4.020 3.107 2.820 3.404 . 0 0 "[ . 1 . 2]" 1
377 1 17 ASP H 1 61 THR HB . . 4.050 3.247 2.523 3.757 . 0 0 "[ . 1 . 2]" 1
378 1 17 ASP H 1 61 THR MG . . 5.500 4.316 3.916 4.635 . 0 0 "[ . 1 . 2]" 1
379 1 17 ASP HA 1 18 PHE H . . 2.830 2.196 2.105 2.252 . 0 0 "[ . 1 . 2]" 1
380 1 17 ASP HA 1 18 PHE HB2 . . 4.640 4.377 4.224 4.563 . 0 0 "[ . 1 . 2]" 1
381 1 17 ASP HA 1 18 PHE QD . . 4.490 3.365 2.920 3.576 . 0 0 "[ . 1 . 2]" 1
382 1 17 ASP HA 1 23 GLN H . . 5.500 4.653 4.360 5.076 . 0 0 "[ . 1 . 2]" 1
383 1 17 ASP HA 1 23 GLN HA . . 3.180 2.213 2.058 2.555 . 0 0 "[ . 1 . 2]" 1
384 1 17 ASP HA 1 23 GLN HB3 . . 5.050 3.594 2.726 4.411 . 0 0 "[ . 1 . 2]" 1
385 1 17 ASP HA 1 23 GLN HE21 . . 5.500 3.910 2.961 5.252 . 0 0 "[ . 1 . 2]" 1
386 1 17 ASP HA 1 23 GLN HE22 . . 5.500 5.315 4.277 5.572 0.072 11 0 "[ . 1 . 2]" 1
387 1 17 ASP HA 1 23 GLN HG2 . . 4.870 4.395 3.578 4.931 0.061 14 0 "[ . 1 . 2]" 1
388 1 17 ASP HA 1 23 GLN HG3 . . 4.390 3.398 2.136 4.471 0.081 6 0 "[ . 1 . 2]" 1
389 1 17 ASP HA 1 24 LYS H . . 4.400 3.648 3.476 3.935 . 0 0 "[ . 1 . 2]" 1
390 1 17 ASP HB2 1 18 PHE H . . 4.670 4.574 4.440 4.690 0.020 13 0 "[ . 1 . 2]" 1
391 1 17 ASP HB2 1 23 GLN HB2 . . 4.230 4.056 3.390 4.311 0.081 19 0 "[ . 1 . 2]" 1
392 1 17 ASP HB2 1 61 THR H . . 3.990 3.708 3.076 4.075 0.085 10 0 "[ . 1 . 2]" 1
393 1 17 ASP HB2 1 61 THR HB . . 3.270 2.674 2.061 3.268 . 0 0 "[ . 1 . 2]" 1
394 1 17 ASP HB2 1 61 THR MG . . 5.060 3.923 3.148 4.435 . 0 0 "[ . 1 . 2]" 1
395 1 17 ASP HB3 1 18 PHE H . . 5.190 3.981 3.575 4.348 . 0 0 "[ . 1 . 2]" 1
396 1 17 ASP HB3 1 61 THR H . . 3.720 3.057 2.149 3.784 0.064 14 0 "[ . 1 . 2]" 1
397 1 17 ASP HB3 1 61 THR HB . . 3.140 2.820 2.168 3.218 0.078 5 0 "[ . 1 . 2]" 1
398 1 17 ASP HB3 1 61 THR MG . . 5.140 4.241 3.848 4.639 . 0 0 "[ . 1 . 2]" 1
399 1 18 PHE H 1 18 PHE HB2 . . 3.270 2.221 2.122 2.344 . 0 0 "[ . 1 . 2]" 1
400 1 18 PHE H 1 18 PHE HB3 . . 3.590 3.484 3.420 3.562 . 0 0 "[ . 1 . 2]" 1
401 1 18 PHE H 1 18 PHE QD . . 2.920 2.267 2.041 2.373 . 0 0 "[ . 1 . 2]" 1
402 1 18 PHE H 1 18 PHE HE1 . . 4.630 4.670 4.473 4.711 0.081 20 0 "[ . 1 . 2]" 1
403 1 18 PHE H 1 19 THR H . . 5.130 4.630 4.548 4.708 . 0 0 "[ . 1 . 2]" 1
404 1 18 PHE H 1 20 ASN H . . 5.040 4.823 3.831 5.124 0.084 3 0 "[ . 1 . 2]" 1
405 1 18 PHE H 1 22 ILE HA . . 5.500 5.185 5.003 5.345 . 0 0 "[ . 1 . 2]" 1
406 1 18 PHE H 1 22 ILE HB . . 4.980 4.206 3.837 4.531 . 0 0 "[ . 1 . 2]" 1
407 1 18 PHE H 1 22 ILE MG . . 5.500 4.738 4.312 4.960 . 0 0 "[ . 1 . 2]" 1
408 1 18 PHE H 1 23 GLN HA . . 4.030 2.695 2.139 3.188 . 0 0 "[ . 1 . 2]" 1
409 1 18 PHE H 1 23 GLN HB2 . . 5.310 4.030 3.531 4.457 . 0 0 "[ . 1 . 2]" 1
410 1 18 PHE H 1 24 LYS H . . 4.330 4.333 3.940 4.418 0.088 3 0 "[ . 1 . 2]" 1
411 1 18 PHE HA 1 18 PHE QD . . 4.040 3.093 2.910 3.216 . 0 0 "[ . 1 . 2]" 1
412 1 18 PHE HA 1 18 PHE HE1 . . 5.500 5.051 4.767 5.286 . 0 0 "[ . 1 . 2]" 1
413 1 18 PHE HA 1 19 THR H . . 3.190 2.587 2.460 2.761 . 0 0 "[ . 1 . 2]" 1
414 1 18 PHE HA 1 20 ASN H . . 5.500 4.380 3.963 4.820 . 0 0 "[ . 1 . 2]" 1
415 1 18 PHE HA 1 60 GLY HA3 . . 5.020 3.277 2.883 3.792 . 0 0 "[ . 1 . 2]" 1
416 1 18 PHE HB2 1 18 PHE HE1 . . 5.400 4.937 4.825 5.112 . 0 0 "[ . 1 . 2]" 1
417 1 18 PHE HB2 1 19 THR H . . 3.900 3.707 3.504 3.841 . 0 0 "[ . 1 . 2]" 1
418 1 18 PHE HB2 1 20 ASN H . . 4.010 3.386 2.802 3.664 . 0 0 "[ . 1 . 2]" 1
419 1 18 PHE HB2 1 22 ILE H . . 3.890 3.315 2.435 3.937 0.047 12 0 "[ . 1 . 2]" 1
420 1 18 PHE HB2 1 22 ILE HB . . 3.820 2.943 2.678 3.142 . 0 0 "[ . 1 . 2]" 1
421 1 18 PHE HB2 1 22 ILE HG13 . . 5.040 4.566 3.941 5.092 0.052 16 0 "[ . 1 . 2]" 1
422 1 18 PHE HB2 1 22 ILE MG . . 5.500 4.199 3.712 4.458 . 0 0 "[ . 1 . 2]" 1
423 1 18 PHE HB2 1 23 GLN H . . 5.500 5.256 4.875 5.555 0.055 10 0 "[ . 1 . 2]" 1
424 1 18 PHE HB3 1 19 THR H . . 3.790 2.367 2.167 2.544 . 0 0 "[ . 1 . 2]" 1
425 1 18 PHE HB3 1 20 ASN H . . 3.940 2.735 2.215 3.176 . 0 0 "[ . 1 . 2]" 1
426 1 18 PHE HB3 1 22 ILE HB . . 4.160 4.193 3.963 4.250 0.090 12 0 "[ . 1 . 2]" 1
427 1 18 PHE HB3 1 22 ILE MG . . 5.500 5.322 4.914 5.575 0.075 7 0 "[ . 1 . 2]" 1
428 1 18 PHE QD 1 19 THR H . . 3.990 3.676 3.273 4.009 0.019 11 0 "[ . 1 . 2]" 1
429 1 18 PHE QD 1 23 GLN HA . . 3.610 2.747 2.306 3.401 . 0 0 "[ . 1 . 2]" 1
430 1 18 PHE QD 1 24 LYS H . . 3.630 3.209 2.778 3.522 . 0 0 "[ . 1 . 2]" 1
431 1 18 PHE QD 1 24 LYS HB2 . . 4.490 3.671 3.299 4.103 . 0 0 "[ . 1 . 2]" 1
432 1 18 PHE QD 1 24 LYS HB3 . . 4.710 4.758 4.516 4.815 0.105 14 0 "[ . 1 . 2]" 1
433 1 18 PHE QD 1 102 ILE MD . . 4.540 4.320 3.770 4.658 0.118 17 0 "[ . 1 . 2]" 1
434 1 18 PHE HE1 1 23 GLN HA . . 4.840 4.305 3.964 4.757 . 0 0 "[ . 1 . 2]" 1
435 1 18 PHE HE1 1 24 LYS H . . 3.800 3.346 2.719 3.791 . 0 0 "[ . 1 . 2]" 1
436 1 18 PHE HE1 1 24 LYS HB2 . . 2.930 2.391 2.083 2.957 0.027 2 0 "[ . 1 . 2]" 1
437 1 18 PHE HE1 1 24 LYS HB3 . . 3.200 3.022 2.719 3.257 0.057 14 0 "[ . 1 . 2]" 1
438 1 18 PHE HE1 1 24 LYS HG3 . . 4.700 4.164 3.785 4.754 0.054 7 0 "[ . 1 . 2]" 1
439 1 18 PHE HE1 1 102 ILE MD . . 3.450 3.382 2.874 3.555 0.105 19 0 "[ . 1 . 2]" 1
440 1 19 THR H 1 19 THR MG . . 4.270 2.535 2.248 2.845 . 0 0 "[ . 1 . 2]" 1
441 1 19 THR H 1 20 ASN H . . 4.360 2.741 2.595 2.971 . 0 0 "[ . 1 . 2]" 1
442 1 19 THR HA 1 19 THR MG . . 3.190 2.270 2.199 2.316 . 0 0 "[ . 1 . 2]" 1
443 1 19 THR HA 1 60 GLY HA2 . . 4.590 3.440 3.228 3.820 . 0 0 "[ . 1 . 2]" 1
444 1 19 THR HA 1 60 GLY HA3 . . 4.390 4.213 3.068 4.668 0.278 12 0 "[ . 1 . 2]" 1
445 1 19 THR HB 1 20 ASN H . . 4.360 3.573 3.111 4.292 . 0 0 "[ . 1 . 2]" 1
446 1 19 THR HB 1 58 GLU QB . . 4.080 3.804 2.905 4.167 0.087 9 0 "[ . 1 . 2]" 1
447 1 19 THR HB 1 58 GLU QG . . 4.540 4.261 3.485 4.612 0.072 16 0 "[ . 1 . 2]" 1
448 1 19 THR MG 1 20 ASN H . . 5.500 4.153 3.907 4.463 . 0 0 "[ . 1 . 2]" 1
449 1 19 THR MG 1 58 GLU QB . . 3.290 2.875 2.572 3.397 0.107 5 0 "[ . 1 . 2]" 1
450 1 19 THR MG 1 58 GLU QG . . 3.800 3.777 2.800 3.918 0.118 14 0 "[ . 1 . 2]" 1
451 1 19 THR MG 1 59 TYR H . . 4.350 3.027 2.336 3.603 . 0 0 "[ . 1 . 2]" 1
452 1 19 THR MG 1 59 TYR HA . . 4.200 2.951 2.311 3.660 . 0 0 "[ . 1 . 2]" 1
453 1 19 THR MG 1 60 GLY H . . 4.690 3.478 3.109 4.160 . 0 0 "[ . 1 . 2]" 1
454 1 19 THR MG 1 60 GLY HA2 . . 4.150 3.643 2.910 4.213 0.063 5 0 "[ . 1 . 2]" 1
455 1 19 THR MG 1 60 GLY HA3 . . 4.490 3.565 2.988 4.064 . 0 0 "[ . 1 . 2]" 1
456 1 20 ASN H 1 20 ASN HB2 . . 3.900 3.190 2.285 3.775 . 0 0 "[ . 1 . 2]" 1
457 1 20 ASN H 1 20 ASN HB3 . . 4.140 2.973 2.233 3.703 . 0 0 "[ . 1 . 2]" 1
458 1 20 ASN H 1 20 ASN HD21 . . 5.500 4.032 2.247 4.966 . 0 0 "[ . 1 . 2]" 1
459 1 20 ASN H 1 20 ASN HD22 . . 5.500 4.417 3.250 5.596 0.096 6 0 "[ . 1 . 2]" 1
460 1 20 ASN HA 1 20 ASN HD22 . . 5.500 5.079 4.567 5.468 . 0 0 "[ . 1 . 2]" 1
461 1 20 ASN HA 1 22 ILE H . . 5.500 4.445 4.083 5.225 . 0 0 "[ . 1 . 2]" 1
462 1 20 ASN HB2 1 20 ASN HD22 . . 3.770 3.666 3.435 4.055 0.285 5 0 "[ . 1 . 2]" 1
463 1 20 ASN HB2 1 21 SER H . . 5.500 2.758 2.079 3.897 . 0 0 "[ . 1 . 2]" 1
464 1 20 ASN HB3 1 20 ASN HD22 . . 3.750 3.750 3.379 4.129 0.379 12 0 "[ . 1 . 2]" 1
465 1 20 ASN HB3 1 21 SER H . . 5.500 3.202 1.713 3.965 . 0 0 "[ . 1 . 2]" 1
466 1 20 ASN HD21 1 22 ILE H . . 5.360 4.301 2.427 5.365 0.005 18 0 "[ . 1 . 2]" 1
467 1 20 ASN HD21 1 22 ILE HB . . 5.500 3.933 2.470 5.511 0.011 11 0 "[ . 1 . 2]" 1
468 1 20 ASN HD21 1 22 ILE MD . . 4.150 2.714 1.841 4.414 0.264 11 0 "[ . 1 . 2]" 1
469 1 20 ASN HD21 1 22 ILE HG12 . . 5.340 4.337 2.702 5.410 0.070 8 0 "[ . 1 . 2]" 1
470 1 20 ASN HD21 1 22 ILE HG13 . . 4.890 3.113 2.263 4.863 . 0 0 "[ . 1 . 2]" 1
471 1 20 ASN HD22 1 22 ILE H . . 4.920 4.854 3.100 5.432 0.512 10 4 "[ . -+ * *2]" 1
472 1 20 ASN HD22 1 22 ILE HB . . 5.500 4.165 2.691 5.542 0.042 10 0 "[ . 1 . 2]" 1
473 1 20 ASN HD22 1 22 ILE MD . . 4.360 2.739 2.191 3.561 . 0 0 "[ . 1 . 2]" 1
474 1 20 ASN HD22 1 22 ILE HG12 . . 5.500 4.714 1.955 5.425 . 0 0 "[ . 1 . 2]" 1
475 1 20 ASN HD22 1 22 ILE HG13 . . 5.500 3.633 2.951 4.277 . 0 0 "[ . 1 . 2]" 1
476 1 21 SER H 1 21 SER HA . . 2.920 2.906 2.789 2.983 0.063 10 0 "[ . 1 . 2]" 1
477 1 21 SER H 1 21 SER HB3 . . 3.890 2.844 2.364 3.595 . 0 0 "[ . 1 . 2]" 1
478 1 21 SER H 1 22 ILE H . . 3.530 2.963 1.689 3.546 0.016 7 0 "[ . 1 . 2]" 1
479 1 21 SER H 1 22 ILE HB . . 5.160 4.886 4.008 5.230 0.070 17 0 "[ . 1 . 2]" 1
480 1 21 SER H 1 22 ILE MG . . 5.500 5.528 5.189 5.622 0.122 12 0 "[ . 1 . 2]" 1
481 1 21 SER HA 1 21 SER HB3 . . 2.400 2.428 2.193 3.048 0.648 20 2 "[ . 1- . +]" 1
482 1 21 SER HB3 1 22 ILE H . . 4.600 4.544 3.710 4.722 0.122 16 0 "[ . 1 . 2]" 1
483 1 22 ILE H 1 22 ILE HB . . 3.070 2.708 2.435 2.965 . 0 0 "[ . 1 . 2]" 1
484 1 22 ILE H 1 22 ILE MD . . 4.280 3.939 3.543 4.334 0.054 20 0 "[ . 1 . 2]" 1
485 1 22 ILE H 1 22 ILE HG12 . . 3.690 3.471 2.391 3.767 0.077 20 0 "[ . 1 . 2]" 1
486 1 22 ILE H 1 22 ILE HG13 . . 3.690 2.645 1.861 3.761 0.071 6 0 "[ . 1 . 2]" 1
487 1 22 ILE H 1 22 ILE MG . . 3.840 3.868 3.703 3.934 0.094 17 0 "[ . 1 . 2]" 1
488 1 22 ILE H 1 23 GLN H . . 4.670 4.362 4.049 4.576 . 0 0 "[ . 1 . 2]" 1
489 1 22 ILE HA 1 22 ILE HG12 . . 3.600 2.797 2.471 3.153 . 0 0 "[ . 1 . 2]" 1
490 1 22 ILE HA 1 22 ILE HG13 . . 3.910 3.383 3.227 3.852 . 0 0 "[ . 1 . 2]" 1
491 1 22 ILE HA 1 22 ILE MG . . 3.260 2.326 2.217 2.482 . 0 0 "[ . 1 . 2]" 1
492 1 22 ILE HA 1 23 GLN H . . 2.610 2.214 2.107 2.384 . 0 0 "[ . 1 . 2]" 1
493 1 22 ILE HA 1 23 GLN HA . . 5.010 4.469 4.427 4.522 . 0 0 "[ . 1 . 2]" 1
494 1 22 ILE HA 1 23 GLN HB3 . . 4.570 4.246 3.847 4.645 0.075 9 0 "[ . 1 . 2]" 1
495 1 22 ILE HB 1 22 ILE MD . . 3.530 2.551 2.257 3.296 . 0 0 "[ . 1 . 2]" 1
496 1 22 ILE HB 1 23 GLN H . . 3.760 3.828 3.741 3.851 0.091 12 0 "[ . 1 . 2]" 1
497 1 22 ILE HG12 1 23 GLN H . . 4.960 4.708 4.417 5.038 0.078 6 0 "[ . 1 . 2]" 1
498 1 22 ILE HG13 1 23 GLN H . . 5.100 5.172 5.113 5.194 0.094 12 0 "[ . 1 . 2]" 1
499 1 22 ILE MG 1 23 GLN H . . 3.350 2.376 2.208 2.566 . 0 0 "[ . 1 . 2]" 1
500 1 22 ILE MG 1 23 GLN HA . . 4.940 3.820 3.549 4.074 . 0 0 "[ . 1 . 2]" 1
501 1 22 ILE MG 1 24 LYS H . . 5.280 4.590 3.824 5.014 . 0 0 "[ . 1 . 2]" 1
502 1 23 GLN H 1 23 GLN HB2 . . 3.480 3.396 3.078 3.590 0.110 4 0 "[ . 1 . 2]" 1
503 1 23 GLN H 1 23 GLN HB3 . . 3.570 2.721 2.549 2.966 . 0 0 "[ . 1 . 2]" 1
504 1 23 GLN H 1 23 GLN HG3 . . 5.250 4.320 3.548 4.958 . 0 0 "[ . 1 . 2]" 1
505 1 23 GLN H 1 24 LYS H . . 4.940 4.264 4.005 4.413 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLN HA 1 23 GLN HE21 . . 5.500 4.453 4.241 4.734 . 0 0 "[ . 1 . 2]" 1
507 1 23 GLN HA 1 23 GLN HG2 . . 3.960 3.407 2.793 3.843 . 0 0 "[ . 1 . 2]" 1
508 1 23 GLN HA 1 23 GLN HG3 . . 3.670 3.061 2.369 3.728 0.058 17 0 "[ . 1 . 2]" 1
509 1 23 GLN HA 1 24 LYS H . . 2.810 2.240 2.015 2.428 . 0 0 "[ . 1 . 2]" 1
510 1 23 GLN HA 1 24 LYS HA . . 5.250 4.481 4.390 4.595 . 0 0 "[ . 1 . 2]" 1
511 1 23 GLN HB2 1 23 GLN HE21 . . 4.360 2.527 2.039 3.120 . 0 0 "[ . 1 . 2]" 1
512 1 23 GLN HB2 1 24 LYS H . . 4.220 3.593 2.713 4.293 0.073 7 0 "[ . 1 . 2]" 1
513 1 23 GLN HB3 1 23 GLN HE21 . . 4.250 2.750 1.825 4.183 . 0 0 "[ . 1 . 2]" 1
514 1 23 GLN HB3 1 23 GLN HE22 . . 4.630 3.867 3.451 4.557 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLN HB3 1 24 LYS H . . 4.570 4.173 4.048 4.364 . 0 0 "[ . 1 . 2]" 1
516 1 23 GLN HB3 1 25 ILE MD . . 5.500 4.424 3.464 5.565 0.065 4 0 "[ . 1 . 2]" 1
517 1 23 GLN HE21 1 23 GLN HG3 . . 3.660 3.023 2.214 3.640 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLN HE21 1 25 ILE MD . . 5.500 4.831 3.801 5.565 0.065 7 0 "[ . 1 . 2]" 1
519 1 23 GLN HE22 1 25 ILE MD . . 5.500 4.684 3.469 5.589 0.089 7 0 "[ . 1 . 2]" 1
520 1 23 GLN HG2 1 24 LYS H . . 4.140 3.558 2.593 4.206 0.066 4 0 "[ . 1 . 2]" 1
521 1 23 GLN HG2 1 25 ILE H . . 5.500 5.101 4.085 5.568 0.068 8 0 "[ . 1 . 2]" 1
522 1 23 GLN HG2 1 25 ILE MD . . 5.260 3.126 2.015 4.156 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLN HG3 1 24 LYS H . . 4.010 3.166 2.471 3.621 . 0 0 "[ . 1 . 2]" 1
524 1 24 LYS H 1 24 LYS HB2 . . 3.760 2.691 2.295 2.973 . 0 0 "[ . 1 . 2]" 1
525 1 24 LYS H 1 24 LYS HB3 . . 3.860 3.180 2.982 3.532 . 0 0 "[ . 1 . 2]" 1
526 1 24 LYS H 1 24 LYS HG2 . . 5.160 4.437 4.012 4.712 . 0 0 "[ . 1 . 2]" 1
527 1 24 LYS H 1 24 LYS HG3 . . 4.860 4.770 4.557 4.940 0.080 6 0 "[ . 1 . 2]" 1
528 1 24 LYS H 1 25 ILE H . . 4.830 4.368 4.249 4.519 . 0 0 "[ . 1 . 2]" 1
529 1 24 LYS H 1 26 TYR QE . . 4.420 3.992 3.526 4.359 . 0 0 "[ . 1 . 2]" 1
530 1 24 LYS HA 1 24 LYS HG2 . . 3.880 2.362 2.088 2.677 . 0 0 "[ . 1 . 2]" 1
531 1 24 LYS HA 1 24 LYS HG3 . . 4.090 3.429 2.944 3.698 . 0 0 "[ . 1 . 2]" 1
532 1 24 LYS HA 1 25 ILE H . . 2.630 2.239 2.155 2.345 . 0 0 "[ . 1 . 2]" 1
533 1 24 LYS HB2 1 26 TYR QE . . 4.070 3.727 2.889 4.063 . 0 0 "[ . 1 . 2]" 1
534 1 24 LYS HB3 1 24 LYS HE2 . . 3.210 2.674 1.893 3.298 0.088 15 0 "[ . 1 . 2]" 1
535 1 24 LYS HB3 1 24 LYS HE3 . . 3.170 2.901 2.110 3.300 0.130 13 0 "[ . 1 . 2]" 1
536 1 24 LYS HB3 1 26 TYR QE . . 2.940 2.479 2.248 3.027 0.087 13 0 "[ . 1 . 2]" 1
537 1 24 LYS HE2 1 26 TYR HA . . 4.240 4.172 3.580 4.428 0.188 1 0 "[ . 1 . 2]" 1
538 1 24 LYS HE3 1 24 LYS HG3 . . 4.180 3.480 3.138 3.802 . 0 0 "[ . 1 . 2]" 1
539 1 24 LYS HE3 1 26 TYR HA . . 4.340 3.920 3.397 4.419 0.079 15 0 "[ . 1 . 2]" 1
540 1 24 LYS HE3 1 26 TYR QE . . 5.360 3.878 3.007 4.921 . 0 0 "[ . 1 . 2]" 1
541 1 24 LYS HG2 1 25 ILE H . . 4.260 3.596 2.494 4.341 0.081 1 0 "[ . 1 . 2]" 1
542 1 24 LYS HG2 1 26 TYR QE . . 5.420 5.011 4.700 5.512 0.092 13 0 "[ . 1 . 2]" 1
543 1 24 LYS HG3 1 25 ILE H . . 4.690 4.658 4.101 4.778 0.088 13 0 "[ . 1 . 2]" 1
544 1 24 LYS HG3 1 26 TYR QE . . 4.780 4.478 3.818 4.878 0.098 15 0 "[ . 1 . 2]" 1
545 1 25 ILE H 1 25 ILE HB . . 3.040 2.624 2.405 2.814 . 0 0 "[ . 1 . 2]" 1
546 1 25 ILE H 1 25 ILE MD . . 4.290 2.709 2.239 3.665 . 0 0 "[ . 1 . 2]" 1
547 1 25 ILE H 1 25 ILE HG12 . . 4.620 4.284 2.374 4.590 . 0 0 "[ . 1 . 2]" 1
548 1 25 ILE H 1 25 ILE HG13 . . 3.730 3.479 2.789 3.803 0.073 15 0 "[ . 1 . 2]" 1
549 1 25 ILE H 1 25 ILE MG . . 4.280 3.861 3.693 3.943 . 0 0 "[ . 1 . 2]" 1
550 1 25 ILE H 1 26 TYR H . . 4.790 4.390 4.236 4.482 . 0 0 "[ . 1 . 2]" 1
551 1 25 ILE HA 1 25 ILE MD . . 4.180 3.499 2.429 3.917 . 0 0 "[ . 1 . 2]" 1
552 1 25 ILE HA 1 25 ILE HG12 . . 3.950 3.408 2.724 3.601 . 0 0 "[ . 1 . 2]" 1
553 1 25 ILE HA 1 25 ILE HG13 . . 3.900 2.540 2.164 3.851 . 0 0 "[ . 1 . 2]" 1
554 1 25 ILE HA 1 25 ILE MG . . 3.300 2.410 2.295 2.586 . 0 0 "[ . 1 . 2]" 1
555 1 25 ILE HA 1 26 TYR H . . 3.010 2.187 2.072 2.304 . 0 0 "[ . 1 . 2]" 1
556 1 25 ILE HA 1 26 TYR QD . . 4.020 2.960 2.515 3.598 . 0 0 "[ . 1 . 2]" 1
557 1 25 ILE HB 1 26 TYR H . . 4.280 4.020 3.565 4.202 . 0 0 "[ . 1 . 2]" 1
558 1 25 ILE MD 1 26 TYR H . . 5.500 5.032 4.205 5.219 . 0 0 "[ . 1 . 2]" 1
559 1 25 ILE HG12 1 26 TYR H . . 5.000 4.894 4.425 5.069 0.069 5 0 "[ . 1 . 2]" 1
560 1 25 ILE MG 1 26 TYR H . . 3.360 2.444 2.172 2.653 . 0 0 "[ . 1 . 2]" 1
561 1 25 ILE MG 1 26 TYR QB . . 4.370 4.295 4.028 4.473 0.103 4 0 "[ . 1 . 2]" 1
562 1 25 ILE MG 1 27 ASP H . . 3.840 3.129 1.959 3.916 0.076 6 0 "[ . 1 . 2]" 1
563 1 25 ILE MG 1 27 ASP HB2 . . 4.690 3.766 2.179 4.769 0.079 17 0 "[ . 1 . 2]" 1
564 1 25 ILE MG 1 27 ASP HB3 . . 3.570 2.773 2.258 3.583 0.013 14 0 "[ . 1 . 2]" 1
565 1 25 ILE MG 1 28 ASP H . . 5.500 5.049 4.314 5.558 0.058 15 0 "[ . 1 . 2]" 1
566 1 26 TYR H 1 26 TYR QB . . 3.460 2.602 2.436 2.762 . 0 0 "[ . 1 . 2]" 1
567 1 26 TYR H 1 26 TYR QD . . 2.840 2.498 2.220 2.785 . 0 0 "[ . 1 . 2]" 1
568 1 26 TYR H 1 26 TYR QE . . 5.450 4.601 4.322 4.922 . 0 0 "[ . 1 . 2]" 1
569 1 26 TYR H 1 27 ASP H . . 4.990 3.642 2.649 4.147 . 0 0 "[ . 1 . 2]" 1
570 1 26 TYR H 1 35 ILE MD . . 5.500 4.464 4.208 4.764 . 0 0 "[ . 1 . 2]" 1
571 1 26 TYR HA 1 27 ASP H . . 2.900 2.324 2.111 2.792 . 0 0 "[ . 1 . 2]" 1
572 1 26 TYR HA 1 31 SER QB . . 3.600 2.879 2.517 3.204 . 0 0 "[ . 1 . 2]" 1
573 1 26 TYR HA 1 35 ILE MD . . 4.600 4.500 4.259 4.693 0.093 17 0 "[ . 1 . 2]" 1
574 1 26 TYR QB 1 27 ASP H . . 4.020 3.839 3.550 3.976 . 0 0 "[ . 1 . 2]" 1
575 1 26 TYR QB 1 28 ASP H . . 4.780 3.955 3.442 4.456 . 0 0 "[ . 1 . 2]" 1
576 1 26 TYR QB 1 31 SER HA . . 4.030 4.047 3.882 4.126 0.096 6 0 "[ . 1 . 2]" 1
577 1 26 TYR QB 1 31 SER QB . . 4.100 2.278 1.947 2.812 . 0 0 "[ . 1 . 2]" 1
578 1 26 TYR QB 1 32 ILE H . . 5.010 3.707 3.402 4.245 . 0 0 "[ . 1 . 2]" 1
579 1 26 TYR QB 1 32 ILE QG . . 4.350 2.919 2.480 3.622 . 0 0 "[ . 1 . 2]" 1
580 1 26 TYR QB 1 35 ILE MD . . 3.780 2.304 2.081 2.616 . 0 0 "[ . 1 . 2]" 1
581 1 26 TYR QD 1 27 ASP H . . 5.050 5.000 4.878 5.074 0.024 18 0 "[ . 1 . 2]" 1
582 1 26 TYR QD 1 28 ASP H . . 5.500 5.364 5.122 5.585 0.085 14 0 "[ . 1 . 2]" 1
583 1 26 TYR QD 1 31 SER H . . 5.500 5.248 4.879 5.457 . 0 0 "[ . 1 . 2]" 1
584 1 26 TYR QD 1 31 SER HA . . 3.370 3.322 2.738 3.481 0.111 10 0 "[ . 1 . 2]" 1
585 1 26 TYR QD 1 31 SER QB . . 3.140 1.986 1.877 2.117 . 0 0 "[ . 1 . 2]" 1
586 1 26 TYR QD 1 32 ILE H . . 5.500 4.996 4.514 5.479 . 0 0 "[ . 1 . 2]" 1
587 1 26 TYR QD 1 35 ILE MD . . 3.200 2.629 2.515 2.788 . 0 0 "[ . 1 . 2]" 1
588 1 26 TYR QD 1 35 ILE HG13 . . 4.110 3.766 3.119 4.168 0.058 17 0 "[ . 1 . 2]" 1
589 1 26 TYR QE 1 31 SER QB . . 4.270 4.047 3.746 4.234 . 0 0 "[ . 1 . 2]" 1
590 1 26 TYR QE 1 35 ILE MD . . 3.510 3.126 2.892 3.539 0.029 13 0 "[ . 1 . 2]" 1
591 1 26 TYR QE 1 102 ILE MD . . 3.770 3.320 2.877 3.637 . 0 0 "[ . 1 . 2]" 1
592 1 27 ASP H 1 27 ASP HB3 . . 4.130 2.796 2.362 3.136 . 0 0 "[ . 1 . 2]" 1
593 1 27 ASP H 1 28 ASP H . . 3.010 2.324 1.831 3.059 0.049 9 0 "[ . 1 . 2]" 1
594 1 27 ASP H 1 32 ILE QG . . 5.160 4.546 4.051 5.208 0.048 10 0 "[ . 1 . 2]" 1
595 1 27 ASP HA 1 32 ILE MD . . 3.900 2.691 2.168 3.520 . 0 0 "[ . 1 . 2]" 1
596 1 27 ASP HB2 1 28 ASP H . . 5.160 4.295 3.994 4.553 . 0 0 "[ . 1 . 2]" 1
597 1 27 ASP HB2 1 32 ILE MD . . 5.420 4.549 3.890 5.209 . 0 0 "[ . 1 . 2]" 1
598 1 27 ASP HB3 1 28 ASP H . . 5.030 4.149 2.819 4.679 . 0 0 "[ . 1 . 2]" 1
599 1 28 ASP H 1 28 ASP HB2 . . 3.880 2.997 2.566 3.306 . 0 0 "[ . 1 . 2]" 1
600 1 28 ASP H 1 28 ASP HB3 . . 3.640 3.648 3.428 3.957 0.317 9 0 "[ . 1 . 2]" 1
601 1 28 ASP H 1 31 SER QB . . 5.180 2.989 2.443 3.733 . 0 0 "[ . 1 . 2]" 1
602 1 28 ASP H 1 32 ILE MD . . 4.480 3.917 2.901 4.560 0.080 8 0 "[ . 1 . 2]" 1
603 1 28 ASP H 1 32 ILE QG . . 4.380 3.618 2.695 4.099 . 0 0 "[ . 1 . 2]" 1
604 1 28 ASP HA 1 29 SER H . . 2.780 2.252 2.146 2.378 . 0 0 "[ . 1 . 2]" 1
605 1 28 ASP HA 1 29 SER HA . . 4.840 4.376 4.248 4.553 . 0 0 "[ . 1 . 2]" 1
606 1 28 ASP HA 1 29 SER QB . . 5.310 4.172 3.948 4.626 . 0 0 "[ . 1 . 2]" 1
607 1 28 ASP HA 1 30 GLU H . . 4.470 4.425 4.248 4.545 0.075 20 0 "[ . 1 . 2]" 1
608 1 28 ASP HA 1 32 ILE H . . 5.500 5.276 5.090 5.566 0.066 17 0 "[ . 1 . 2]" 1
609 1 28 ASP HB2 1 29 SER H . . 3.640 3.677 3.182 3.939 0.299 19 0 "[ . 1 . 2]" 1
610 1 28 ASP HB2 1 29 SER QB . . 4.950 4.879 4.186 5.299 0.349 4 0 "[ . 1 . 2]" 1
611 1 28 ASP HB2 1 30 GLU H . . 4.160 3.372 2.666 4.004 . 0 0 "[ . 1 . 2]" 1
612 1 28 ASP HB2 1 31 SER H . . 5.500 2.413 2.009 2.793 . 0 0 "[ . 1 . 2]" 1
613 1 28 ASP HB3 1 29 SER H . . 3.870 3.196 2.639 3.628 . 0 0 "[ . 1 . 2]" 1
614 1 28 ASP HB3 1 30 GLU H . . 4.480 3.674 2.721 4.227 . 0 0 "[ . 1 . 2]" 1
615 1 29 SER H 1 29 SER QB . . 2.950 2.203 1.990 2.583 . 0 0 "[ . 1 . 2]" 1
616 1 29 SER H 1 30 GLU H . . 3.620 3.047 2.832 3.213 . 0 0 "[ . 1 . 2]" 1
617 1 29 SER H 1 31 SER H . . 5.500 4.302 4.136 4.571 . 0 0 "[ . 1 . 2]" 1
618 1 29 SER H 1 32 ILE H . . 5.430 4.879 4.764 5.015 . 0 0 "[ . 1 . 2]" 1
619 1 29 SER H 1 32 ILE MD . . 5.370 4.085 3.693 4.445 . 0 0 "[ . 1 . 2]" 1
620 1 29 SER HA 1 30 GLU H . . 3.530 3.594 3.574 3.607 0.077 11 0 "[ . 1 . 2]" 1
621 1 29 SER HA 1 32 ILE H . . 3.850 3.626 3.341 3.919 0.069 11 0 "[ . 1 . 2]" 1
622 1 29 SER HA 1 32 ILE HB . . 3.100 2.914 2.559 3.165 0.065 2 0 "[ . 1 . 2]" 1
623 1 29 SER HA 1 32 ILE MD . . 3.770 2.674 2.198 3.488 . 0 0 "[ . 1 . 2]" 1
624 1 29 SER HA 1 32 ILE QG . . 5.370 3.863 2.898 4.677 . 0 0 "[ . 1 . 2]" 1
625 1 29 SER QB 1 30 GLU H . . 3.370 2.531 2.248 2.828 . 0 0 "[ . 1 . 2]" 1
626 1 29 SER QB 1 32 ILE MD . . 5.120 4.290 3.845 5.147 0.027 11 0 "[ . 1 . 2]" 1
627 1 30 GLU H 1 30 GLU HB2 . . 3.020 2.337 2.070 2.581 . 0 0 "[ . 1 . 2]" 1
628 1 30 GLU H 1 30 GLU HB3 . . 3.300 2.761 2.334 3.389 0.089 1 0 "[ . 1 . 2]" 1
629 1 30 GLU H 1 32 ILE H . . 4.620 4.195 3.827 4.456 . 0 0 "[ . 1 . 2]" 1
630 1 30 GLU H 1 33 GLN H . . 4.680 4.712 4.565 4.754 0.074 13 0 "[ . 1 . 2]" 1
631 1 30 GLU HA 1 30 GLU QG . . 3.380 2.364 2.109 2.785 . 0 0 "[ . 1 . 2]" 1
632 1 30 GLU HA 1 33 GLN H . . 3.960 3.315 3.087 3.544 . 0 0 "[ . 1 . 2]" 1
633 1 30 GLU HA 1 33 GLN QB . . 2.820 2.422 2.079 2.666 . 0 0 "[ . 1 . 2]" 1
634 1 30 GLU HA 1 33 GLN HG3 . . 4.430 3.855 3.232 4.501 0.071 3 0 "[ . 1 . 2]" 1
635 1 30 GLU HA 1 34 LYS H . . 5.190 4.085 3.566 4.521 . 0 0 "[ . 1 . 2]" 1
636 1 30 GLU HB3 1 31 SER QB . . 5.080 4.671 4.067 4.885 . 0 0 "[ . 1 . 2]" 1
637 1 31 SER H 1 31 SER QB . . 3.650 2.393 2.235 2.606 . 0 0 "[ . 1 . 2]" 1
638 1 31 SER H 1 32 ILE H . . 3.380 2.540 2.303 2.729 . 0 0 "[ . 1 . 2]" 1
639 1 31 SER H 1 32 ILE HA . . 5.500 5.207 5.000 5.348 . 0 0 "[ . 1 . 2]" 1
640 1 31 SER H 1 32 ILE QG . . 5.500 4.262 3.956 4.623 . 0 0 "[ . 1 . 2]" 1
641 1 31 SER HA 1 31 SER QB . . 2.640 2.271 2.089 2.399 . 0 0 "[ . 1 . 2]" 1
642 1 31 SER HA 1 32 ILE H . . 3.550 3.578 3.446 3.610 0.060 10 0 "[ . 1 . 2]" 1
643 1 31 SER HA 1 32 ILE QG . . 5.080 5.076 4.732 5.159 0.079 14 0 "[ . 1 . 2]" 1
644 1 31 SER HA 1 35 ILE MD . . 5.470 4.587 3.949 5.159 . 0 0 "[ . 1 . 2]" 1
645 1 31 SER QB 1 32 ILE H . . 4.130 2.918 2.294 3.538 . 0 0 "[ . 1 . 2]" 1
646 1 31 SER QB 1 35 ILE MD . . 4.300 3.822 3.133 4.205 . 0 0 "[ . 1 . 2]" 1
647 1 32 ILE H 1 32 ILE HB . . 3.000 2.403 2.256 2.663 . 0 0 "[ . 1 . 2]" 1
648 1 32 ILE H 1 32 ILE MD . . 4.020 3.429 3.157 3.729 . 0 0 "[ . 1 . 2]" 1
649 1 32 ILE H 1 32 ILE QG . . 3.660 2.266 2.063 2.615 . 0 0 "[ . 1 . 2]" 1
650 1 32 ILE H 1 32 ILE MG . . 4.210 3.743 3.665 3.841 . 0 0 "[ . 1 . 2]" 1
651 1 32 ILE H 1 33 GLN QB . . 4.970 4.481 3.786 4.760 . 0 0 "[ . 1 . 2]" 1
652 1 32 ILE H 1 35 ILE MD . . 5.500 4.746 4.276 5.090 . 0 0 "[ . 1 . 2]" 1
653 1 32 ILE HA 1 32 ILE QG . . 3.690 2.400 2.244 2.540 . 0 0 "[ . 1 . 2]" 1
654 1 32 ILE HA 1 32 ILE MG . . 3.380 2.459 2.370 2.546 . 0 0 "[ . 1 . 2]" 1
655 1 32 ILE HA 1 34 LYS H . . 4.930 4.374 4.024 4.813 . 0 0 "[ . 1 . 2]" 1
656 1 32 ILE HA 1 35 ILE MD . . 3.650 3.007 2.274 3.477 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE HA 1 36 LEU HG . . 5.500 4.870 3.897 5.588 0.088 9 0 "[ . 1 . 2]" 1
658 1 32 ILE HB 1 32 ILE MD . . 3.180 2.395 2.298 2.550 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE HB 1 33 GLN H . . 3.440 2.573 2.423 2.864 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE QG 1 33 GLN H . . 4.720 4.148 3.866 4.297 . 0 0 "[ . 1 . 2]" 1
661 1 32 ILE MG 1 33 GLN H . . 4.110 3.250 3.042 3.522 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE MG 1 33 GLN HG2 . . 5.390 3.949 3.387 4.664 . 0 0 "[ . 1 . 2]" 1
663 1 32 ILE MG 1 34 LYS H . . 5.370 4.923 4.739 5.190 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE MG 1 36 LEU H . . 3.680 3.780 3.756 3.798 0.118 14 0 "[ . 1 . 2]" 1
665 1 33 GLN H 1 33 GLN QB . . 2.960 2.209 1.930 2.436 . 0 0 "[ . 1 . 2]" 1
666 1 33 GLN H 1 33 GLN HG2 . . 3.870 3.345 2.670 3.943 0.073 3 0 "[ . 1 . 2]" 1
667 1 33 GLN H 1 33 GLN HG3 . . 3.870 3.294 2.350 3.951 0.081 14 0 "[ . 1 . 2]" 1
668 1 33 GLN H 1 34 LYS H . . 3.380 2.887 2.753 3.133 . 0 0 "[ . 1 . 2]" 1
669 1 33 GLN HA 1 33 GLN HE21 . . 5.010 3.788 2.255 5.075 0.065 18 0 "[ . 1 . 2]" 1
670 1 33 GLN HA 1 33 GLN HG2 . . 3.860 2.269 2.048 2.625 . 0 0 "[ . 1 . 2]" 1
671 1 33 GLN HA 1 33 GLN HG3 . . 3.580 3.338 2.819 3.648 0.068 9 0 "[ . 1 . 2]" 1
672 1 33 GLN HA 1 36 LEU HB2 . . 3.430 2.786 2.255 3.447 0.017 14 0 "[ . 1 . 2]" 1
673 1 33 GLN QB 1 33 GLN HG2 . . 2.760 2.498 2.315 2.578 . 0 0 "[ . 1 . 2]" 1
674 1 33 GLN QB 1 33 GLN HG3 . . 2.510 2.204 2.061 2.436 . 0 0 "[ . 1 . 2]" 1
675 1 33 GLN QB 1 34 LYS H . . 3.550 2.889 2.614 3.212 . 0 0 "[ . 1 . 2]" 1
676 1 33 GLN HG2 1 34 LYS H . . 4.990 5.005 4.826 5.069 0.079 12 0 "[ . 1 . 2]" 1
677 1 34 LYS H 1 34 LYS HB2 . . 2.940 2.440 2.103 3.043 0.103 8 0 "[ . 1 . 2]" 1
678 1 34 LYS H 1 34 LYS HB3 . . 3.140 2.544 2.232 2.991 . 0 0 "[ . 1 . 2]" 1
679 1 34 LYS H 1 34 LYS QE . . 5.500 4.861 3.965 5.608 0.108 11 0 "[ . 1 . 2]" 1
680 1 34 LYS H 1 34 LYS HG2 . . 4.930 4.373 4.153 4.673 . 0 0 "[ . 1 . 2]" 1
681 1 34 LYS H 1 34 LYS HG3 . . 4.330 4.452 4.112 4.675 0.345 15 0 "[ . 1 . 2]" 1
682 1 34 LYS H 1 35 ILE H . . 3.570 2.831 2.601 2.956 . 0 0 "[ . 1 . 2]" 1
683 1 34 LYS H 1 35 ILE HB . . 4.920 4.799 4.258 4.987 0.067 2 0 "[ . 1 . 2]" 1
684 1 34 LYS H 1 35 ILE MD . . 5.500 5.281 4.719 5.566 0.066 6 0 "[ . 1 . 2]" 1
685 1 34 LYS H 1 35 ILE HG13 . . 5.500 4.574 3.711 4.826 . 0 0 "[ . 1 . 2]" 1
686 1 34 LYS HA 1 34 LYS HB3 . . 3.000 3.043 2.994 3.067 0.067 11 0 "[ . 1 . 2]" 1
687 1 34 LYS HA 1 34 LYS HG2 . . 4.030 2.660 2.214 3.940 . 0 0 "[ . 1 . 2]" 1
688 1 34 LYS HA 1 34 LYS HG3 . . 3.830 3.367 2.845 3.692 . 0 0 "[ . 1 . 2]" 1
689 1 34 LYS HB2 1 35 ILE H . . 3.380 3.669 3.451 3.785 0.405 19 0 "[ . 1 . 2]" 1
690 1 34 LYS HB3 1 34 LYS QE . . 4.060 3.099 2.146 4.160 0.100 19 0 "[ . 1 . 2]" 1
691 1 34 LYS HB3 1 35 ILE H . . 3.710 2.331 2.099 2.500 . 0 0 "[ . 1 . 2]" 1
692 1 34 LYS QD 1 35 ILE H . . 4.890 3.376 2.835 3.947 . 0 0 "[ . 1 . 2]" 1
693 1 34 LYS QD 1 35 ILE HA . . 3.510 3.367 2.957 3.530 0.020 17 0 "[ . 1 . 2]" 1
694 1 34 LYS QD 1 102 ILE HA . . 4.740 2.258 1.974 3.658 . 0 0 "[ . 1 . 2]" 1
695 1 34 LYS QE 1 34 LYS HG3 . . 3.550 2.725 1.960 3.607 0.057 16 0 "[ . 1 . 2]" 1
696 1 34 LYS QE 1 35 ILE H . . 5.500 4.503 3.834 5.408 . 0 0 "[ . 1 . 2]" 1
697 1 34 LYS QE 1 102 ILE HA . . 3.820 2.968 2.031 3.907 0.087 17 0 "[ . 1 . 2]" 1
698 1 34 LYS HG2 1 35 ILE H . . 5.190 4.232 3.439 4.960 . 0 0 "[ . 1 . 2]" 1
699 1 34 LYS HG2 1 102 ILE HA . . 4.850 4.386 3.055 4.831 . 0 0 "[ . 1 . 2]" 1
700 1 34 LYS HG2 1 102 ILE MG . . 5.500 4.906 3.395 5.571 0.071 17 0 "[ . 1 . 2]" 1
701 1 34 LYS HG3 1 35 ILE H . . 5.050 4.475 2.311 5.036 . 0 0 "[ . 1 . 2]" 1
702 1 34 LYS HG3 1 102 ILE HA . . 4.740 4.232 2.391 4.925 0.185 18 0 "[ . 1 . 2]" 1
703 1 34 LYS HG3 1 102 ILE MG . . 5.500 5.056 3.332 5.611 0.111 10 0 "[ . 1 . 2]" 1
704 1 35 ILE H 1 35 ILE HB . . 3.070 2.446 2.217 2.684 . 0 0 "[ . 1 . 2]" 1
705 1 35 ILE H 1 35 ILE MD . . 4.070 3.454 3.307 3.586 . 0 0 "[ . 1 . 2]" 1
706 1 35 ILE H 1 35 ILE HG12 . . 3.350 3.402 3.066 3.438 0.088 17 0 "[ . 1 . 2]" 1
707 1 35 ILE H 1 35 ILE HG13 . . 3.880 2.100 1.742 2.205 . 0 0 "[ . 1 . 2]" 1
708 1 35 ILE H 1 35 ILE MG . . 4.230 3.747 3.645 3.799 . 0 0 "[ . 1 . 2]" 1
709 1 35 ILE H 1 102 ILE MG . . 4.940 4.407 3.775 4.806 . 0 0 "[ . 1 . 2]" 1
710 1 35 ILE HA 1 35 ILE MD . . 4.390 3.854 3.723 3.982 . 0 0 "[ . 1 . 2]" 1
711 1 35 ILE HA 1 35 ILE HG12 . . 3.660 2.491 2.271 2.835 . 0 0 "[ . 1 . 2]" 1
712 1 35 ILE HA 1 35 ILE HG13 . . 3.600 2.850 2.681 3.192 . 0 0 "[ . 1 . 2]" 1
713 1 35 ILE HA 1 35 ILE MG . . 3.280 2.518 2.261 2.680 . 0 0 "[ . 1 . 2]" 1
714 1 35 ILE HA 1 37 SER H . . 5.300 3.902 3.649 4.283 . 0 0 "[ . 1 . 2]" 1
715 1 35 ILE HA 1 37 SER QB . . 5.370 4.614 4.301 4.980 . 0 0 "[ . 1 . 2]" 1
716 1 35 ILE HA 1 38 GLU H . . 4.170 3.457 3.131 3.729 . 0 0 "[ . 1 . 2]" 1
717 1 35 ILE HA 1 38 GLU QB . . 3.910 3.393 2.496 4.037 0.127 18 0 "[ . 1 . 2]" 1
718 1 35 ILE HA 1 38 GLU QG . . 5.000 3.443 2.087 4.424 . 0 0 "[ . 1 . 2]" 1
719 1 35 ILE HA 1 102 ILE MG . . 3.620 2.879 2.487 3.444 . 0 0 "[ . 1 . 2]" 1
720 1 35 ILE HB 1 35 ILE MD . . 3.110 2.439 2.202 2.530 . 0 0 "[ . 1 . 2]" 1
721 1 35 ILE HB 1 36 LEU H . . 3.540 2.647 2.468 2.846 . 0 0 "[ . 1 . 2]" 1
722 1 35 ILE HB 1 36 LEU HA . . 5.280 4.529 4.191 4.748 . 0 0 "[ . 1 . 2]" 1
723 1 35 ILE HB 1 36 LEU HG . . 5.190 4.407 3.623 5.265 0.075 9 0 "[ . 1 . 2]" 1
724 1 35 ILE MD 1 35 ILE MG . . 2.990 2.038 1.980 2.133 . 0 0 "[ . 1 . 2]" 1
725 1 35 ILE MD 1 36 LEU H . . 5.500 4.639 4.207 4.839 . 0 0 "[ . 1 . 2]" 1
726 1 35 ILE MD 1 102 ILE HB . . 5.010 3.662 3.023 4.284 . 0 0 "[ . 1 . 2]" 1
727 1 35 ILE MD 1 102 ILE MD . . 4.190 3.793 3.268 4.274 0.084 1 0 "[ . 1 . 2]" 1
728 1 35 ILE HG12 1 102 ILE MG . . 4.920 2.298 1.992 2.672 . 0 0 "[ . 1 . 2]" 1
729 1 35 ILE HG13 1 35 ILE MG . . 3.210 3.235 3.197 3.252 0.042 14 0 "[ . 1 . 2]" 1
730 1 35 ILE HG13 1 102 ILE MG . . 4.430 3.333 2.697 3.695 . 0 0 "[ . 1 . 2]" 1
731 1 35 ILE MG 1 36 LEU H . . 3.850 3.195 2.877 3.692 . 0 0 "[ . 1 . 2]" 1
732 1 35 ILE MG 1 36 LEU HA . . 4.420 3.339 3.013 4.068 . 0 0 "[ . 1 . 2]" 1
733 1 35 ILE MG 1 98 PHE HZ . . 2.920 2.327 2.015 2.881 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU H 1 36 LEU HB2 . . 3.180 2.354 2.055 2.676 . 0 0 "[ . 1 . 2]" 1
735 1 36 LEU H 1 36 LEU HB3 . . 3.570 3.552 3.384 3.638 0.068 14 0 "[ . 1 . 2]" 1
736 1 36 LEU H 1 36 LEU QD . . 5.090 2.555 2.132 3.061 . 0 0 "[ . 1 . 2]" 1
737 1 36 LEU H 1 36 LEU HG . . 3.420 2.862 2.149 3.506 0.086 5 0 "[ . 1 . 2]" 1
738 1 36 LEU HA 1 36 LEU QD . . 2.930 2.494 1.944 2.902 . 0 0 "[ . 1 . 2]" 1
739 1 36 LEU HA 1 36 LEU HG . . 4.070 2.844 1.994 3.749 . 0 0 "[ . 1 . 2]" 1
740 1 36 LEU HA 1 38 GLU H . . 5.210 4.857 4.528 5.204 . 0 0 "[ . 1 . 2]" 1
741 1 36 LEU HA 1 39 ILE H . . 4.210 3.516 3.158 3.761 . 0 0 "[ . 1 . 2]" 1
742 1 36 LEU HA 1 39 ILE HB . . 3.600 2.369 2.126 2.641 . 0 0 "[ . 1 . 2]" 1
743 1 36 LEU HA 1 39 ILE MG . . 3.360 3.437 3.276 3.466 0.106 15 0 "[ . 1 . 2]" 1
744 1 36 LEU HA 1 40 ALA H . . 4.700 4.477 4.053 4.751 0.051 7 0 "[ . 1 . 2]" 1
745 1 36 LEU HB2 1 37 SER H . . 3.570 3.212 2.629 3.569 . 0 0 "[ . 1 . 2]" 1
746 1 36 LEU HB3 1 36 LEU QD . . 3.240 2.136 2.080 2.176 . 0 0 "[ . 1 . 2]" 1
747 1 36 LEU HB3 1 37 SER H . . 3.870 3.838 3.483 3.945 0.075 20 0 "[ . 1 . 2]" 1
748 1 36 LEU QD 1 37 SER H . . 5.200 4.275 3.834 4.489 . 0 0 "[ . 1 . 2]" 1
749 1 37 SER H 1 37 SER QB . . 3.060 2.186 1.862 2.359 . 0 0 "[ . 1 . 2]" 1
750 1 37 SER H 1 38 GLU H . . 3.410 2.702 2.420 2.923 . 0 0 "[ . 1 . 2]" 1
751 1 37 SER H 1 38 GLU QG . . 5.500 4.350 3.987 5.175 . 0 0 "[ . 1 . 2]" 1
752 1 37 SER HA 1 40 ALA H . . 4.050 3.672 3.260 4.043 . 0 0 "[ . 1 . 2]" 1
753 1 37 SER QB 1 38 GLU H . . 3.640 2.313 2.109 2.573 . 0 0 "[ . 1 . 2]" 1
754 1 38 GLU H 1 38 GLU QB . . 3.110 2.540 2.280 2.739 . 0 0 "[ . 1 . 2]" 1
755 1 38 GLU H 1 38 GLU QG . . 3.750 2.262 1.820 3.033 . 0 0 "[ . 1 . 2]" 1
756 1 38 GLU H 1 39 ILE H . . 3.540 2.697 2.524 2.888 . 0 0 "[ . 1 . 2]" 1
757 1 38 GLU H 1 39 ILE HG12 . . 5.340 4.464 4.133 4.758 . 0 0 "[ . 1 . 2]" 1
758 1 38 GLU H 1 41 THR MG . . 4.970 4.791 4.243 5.075 0.105 1 0 "[ . 1 . 2]" 1
759 1 38 GLU H 1 98 PHE QE . . 5.500 4.846 4.297 5.572 0.072 5 0 "[ . 1 . 2]" 1
760 1 38 GLU H 1 102 ILE MG . . 5.500 4.808 4.272 5.357 . 0 0 "[ . 1 . 2]" 1
761 1 38 GLU HA 1 41 THR H . . 4.100 3.281 2.813 3.987 . 0 0 "[ . 1 . 2]" 1
762 1 38 GLU HA 1 41 THR MG . . 3.310 2.617 2.220 3.129 . 0 0 "[ . 1 . 2]" 1
763 1 38 GLU QB 1 39 ILE H . . 3.730 3.007 2.624 3.661 . 0 0 "[ . 1 . 2]" 1
764 1 38 GLU QB 1 98 PHE QD . . 5.240 2.793 2.189 3.650 . 0 0 "[ . 1 . 2]" 1
765 1 38 GLU QB 1 98 PHE QE . . 3.410 2.765 2.348 3.439 0.029 2 0 "[ . 1 . 2]" 1
766 1 38 GLU QB 1 102 ILE MG . . 3.800 3.273 2.538 3.882 0.082 14 0 "[ . 1 . 2]" 1
767 1 38 GLU QG 1 39 ILE H . . 5.250 4.040 2.684 4.558 . 0 0 "[ . 1 . 2]" 1
768 1 38 GLU QG 1 98 PHE QD . . 5.500 4.333 2.807 5.189 . 0 0 "[ . 1 . 2]" 1
769 1 38 GLU QG 1 101 MET QB . . 4.450 2.397 1.996 3.104 . 0 0 "[ . 1 . 2]" 1
770 1 38 GLU QG 1 102 ILE HA . . 4.570 4.013 2.899 4.400 . 0 0 "[ . 1 . 2]" 1
771 1 38 GLU QG 1 102 ILE MG . . 4.100 3.035 2.097 3.934 . 0 0 "[ . 1 . 2]" 1
772 1 39 ILE H 1 39 ILE HB . . 3.300 2.322 2.178 2.518 . 0 0 "[ . 1 . 2]" 1
773 1 39 ILE H 1 39 ILE HG12 . . 3.320 2.422 2.091 2.931 . 0 0 "[ . 1 . 2]" 1
774 1 39 ILE H 1 39 ILE MG . . 3.850 3.713 3.626 3.798 . 0 0 "[ . 1 . 2]" 1
775 1 39 ILE H 1 40 ALA H . . 3.470 2.643 2.231 2.835 . 0 0 "[ . 1 . 2]" 1
776 1 39 ILE H 1 40 ALA MB . . 4.790 4.289 3.995 4.529 . 0 0 "[ . 1 . 2]" 1
777 1 39 ILE H 1 41 THR H . . 5.190 4.181 3.780 4.368 . 0 0 "[ . 1 . 2]" 1
778 1 39 ILE H 1 98 PHE QD . . 5.500 5.056 4.672 5.569 0.069 5 0 "[ . 1 . 2]" 1
779 1 39 ILE H 1 98 PHE QE . . 3.950 3.474 3.145 4.014 0.064 2 0 "[ . 1 . 2]" 1
780 1 39 ILE HA 1 39 ILE MD . . 3.180 2.134 2.024 2.296 . 0 0 "[ . 1 . 2]" 1
781 1 39 ILE HA 1 39 ILE HG12 . . 3.870 2.927 2.762 3.105 . 0 0 "[ . 1 . 2]" 1
782 1 39 ILE HA 1 41 THR H . . 4.790 4.247 3.627 4.804 0.014 12 0 "[ . 1 . 2]" 1
783 1 39 ILE HA 1 98 PHE QE . . 3.630 3.047 2.352 3.701 0.071 1 0 "[ . 1 . 2]" 1
784 1 39 ILE HB 1 40 ALA H . . 3.500 3.184 2.774 3.494 . 0 0 "[ . 1 . 2]" 1
785 1 39 ILE HB 1 40 ALA MB . . 4.750 3.906 3.587 4.561 . 0 0 "[ . 1 . 2]" 1
786 1 39 ILE MD 1 39 ILE MG . . 2.780 2.081 2.030 2.126 . 0 0 "[ . 1 . 2]" 1
787 1 39 ILE MD 1 98 PHE QD . . 4.160 3.747 2.877 4.250 0.090 8 0 "[ . 1 . 2]" 1
788 1 39 ILE MD 1 98 PHE QE . . 2.850 2.269 2.098 2.438 . 0 0 "[ . 1 . 2]" 1
789 1 39 ILE MD 1 98 PHE HZ . . 3.390 2.507 2.251 3.042 . 0 0 "[ . 1 . 2]" 1
790 1 39 ILE HG12 1 39 ILE MG . . 3.130 3.182 3.118 3.206 0.076 3 0 "[ . 1 . 2]" 1
791 1 39 ILE HG12 1 40 ALA H . . 4.760 4.677 4.553 4.823 0.063 15 0 "[ . 1 . 2]" 1
792 1 39 ILE HG12 1 98 PHE QE . . 3.360 2.499 1.996 3.123 . 0 0 "[ . 1 . 2]" 1
793 1 39 ILE HG12 1 98 PHE HZ . . 3.680 3.168 2.447 3.721 0.041 12 0 "[ . 1 . 2]" 1
794 1 39 ILE HG13 1 98 PHE QE . . 4.490 3.963 3.281 4.562 0.072 8 0 "[ . 1 . 2]" 1
795 1 39 ILE MG 1 40 ALA H . . 3.840 3.699 3.243 3.937 0.097 10 0 "[ . 1 . 2]" 1
796 1 39 ILE MG 1 98 PHE QE . . 4.310 4.416 4.252 4.449 0.139 1 0 "[ . 1 . 2]" 1
797 1 40 ALA H 1 40 ALA MB . . 2.890 2.350 2.215 2.482 . 0 0 "[ . 1 . 2]" 1
798 1 40 ALA H 1 41 THR H . . 3.610 2.325 2.115 2.649 . 0 0 "[ . 1 . 2]" 1
799 1 40 ALA H 1 41 THR MG . . 5.190 3.945 3.469 4.399 . 0 0 "[ . 1 . 2]" 1
800 1 40 ALA H 1 42 GLY H . . 4.760 4.577 4.291 4.828 0.068 8 0 "[ . 1 . 2]" 1
801 1 40 ALA HA 1 42 GLY H . . 4.070 3.999 3.623 4.146 0.076 14 0 "[ . 1 . 2]" 1
802 1 40 ALA MB 1 41 THR H . . 3.980 3.243 2.936 3.492 . 0 0 "[ . 1 . 2]" 1
803 1 40 ALA MB 1 42 GLY H . . 5.140 4.785 4.553 5.023 . 0 0 "[ . 1 . 2]" 1
804 1 41 THR H 1 41 THR MG . . 3.170 2.355 1.972 2.623 . 0 0 "[ . 1 . 2]" 1
805 1 41 THR H 1 42 GLY H . . 3.240 2.739 2.440 2.906 . 0 0 "[ . 1 . 2]" 1
806 1 41 THR H 1 42 GLY HA3 . . 5.040 4.972 4.632 5.111 0.071 20 0 "[ . 1 . 2]" 1
807 1 41 THR HA 1 41 THR MG . . 3.110 2.941 2.240 3.220 0.110 15 0 "[ . 1 . 2]" 1
808 1 41 THR HB 1 94 ILE MG . . 4.990 4.522 3.409 5.083 0.093 5 0 "[ . 1 . 2]" 1
809 1 41 THR MG 1 42 GLY H . . 4.440 2.923 2.075 4.349 . 0 0 "[ . 1 . 2]" 1
810 1 42 GLY H 1 43 LYS H . . 4.540 4.579 4.525 4.611 0.071 12 0 "[ . 1 . 2]" 1
811 1 42 GLY H 1 92 TYR HB3 . . 4.940 4.376 3.919 4.852 . 0 0 "[ . 1 . 2]" 1
812 1 42 GLY H 1 94 ILE HA . . 5.500 5.517 5.153 5.588 0.088 8 0 "[ . 1 . 2]" 1
813 1 42 GLY H 1 94 ILE MG . . 3.910 2.962 2.703 3.306 . 0 0 "[ . 1 . 2]" 1
814 1 42 GLY HA2 1 43 LYS H . . 3.010 2.311 2.129 2.445 . 0 0 "[ . 1 . 2]" 1
815 1 42 GLY HA2 1 43 LYS QB . . 4.660 4.326 3.765 4.692 0.032 18 0 "[ . 1 . 2]" 1
816 1 42 GLY HA2 1 43 LYS HG3 . . 5.360 4.090 3.095 5.389 0.029 11 0 "[ . 1 . 2]" 1
817 1 42 GLY HA2 1 84 ILE MD . . 5.500 4.760 4.028 5.266 . 0 0 "[ . 1 . 2]" 1
818 1 42 GLY HA2 1 92 TYR HA . . 5.500 5.073 4.206 5.557 0.057 5 0 "[ . 1 . 2]" 1
819 1 42 GLY HA2 1 92 TYR HB3 . . 4.190 3.749 2.717 4.252 0.062 5 0 "[ . 1 . 2]" 1
820 1 42 GLY HA2 1 93 GLU H . . 5.440 5.023 4.362 5.501 0.061 1 0 "[ . 1 . 2]" 1
821 1 42 GLY HA2 1 94 ILE HA . . 4.290 3.444 3.056 3.856 . 0 0 "[ . 1 . 2]" 1
822 1 42 GLY HA2 1 94 ILE MG . . 3.160 2.185 1.935 2.472 . 0 0 "[ . 1 . 2]" 1
823 1 42 GLY HA3 1 43 LYS H . . 3.380 2.773 2.593 3.134 . 0 0 "[ . 1 . 2]" 1
824 1 42 GLY HA3 1 43 LYS QB . . 5.130 5.033 4.708 5.234 0.104 18 0 "[ . 1 . 2]" 1
825 1 42 GLY HA3 1 92 TYR HB3 . . 3.640 2.420 2.124 2.879 . 0 0 "[ . 1 . 2]" 1
826 1 42 GLY HA3 1 92 TYR QD . . 5.240 3.241 2.286 3.712 . 0 0 "[ . 1 . 2]" 1
827 1 42 GLY HA3 1 94 ILE MG . . 3.590 2.225 2.047 2.891 . 0 0 "[ . 1 . 2]" 1
828 1 43 LYS H 1 43 LYS HB2 . . 3.230 2.913 2.259 3.672 0.442 18 0 "[ . 1 . 2]" 1
829 1 43 LYS H 1 43 LYS QB . . 3.210 2.711 2.223 3.074 . 0 0 "[ . 1 . 2]" 1
830 1 43 LYS H 1 43 LYS HG2 . . 4.520 3.559 2.023 4.599 0.079 15 0 "[ . 1 . 2]" 1
831 1 43 LYS H 1 43 LYS HG3 . . 4.070 3.111 2.139 4.147 0.077 20 0 "[ . 1 . 2]" 1
832 1 43 LYS H 1 44 ARG HA . . 5.500 4.809 4.524 5.031 . 0 0 "[ . 1 . 2]" 1
833 1 43 LYS H 1 92 TYR HA . . 4.730 3.379 3.172 3.600 . 0 0 "[ . 1 . 2]" 1
834 1 43 LYS H 1 92 TYR HB2 . . 4.770 4.823 4.516 4.852 0.082 19 0 "[ . 1 . 2]" 1
835 1 43 LYS H 1 92 TYR HB3 . . 4.110 3.203 2.893 3.346 . 0 0 "[ . 1 . 2]" 1
836 1 43 LYS H 1 92 TYR QD . . 5.210 3.553 3.264 4.182 . 0 0 "[ . 1 . 2]" 1
837 1 43 LYS H 1 93 GLU H . . 3.640 3.285 2.858 3.672 0.032 19 0 "[ . 1 . 2]" 1
838 1 43 LYS H 1 93 GLU HB3 . . 4.920 4.079 3.605 4.662 . 0 0 "[ . 1 . 2]" 1
839 1 43 LYS H 1 94 ILE MG . . 4.610 3.564 2.973 4.000 . 0 0 "[ . 1 . 2]" 1
840 1 43 LYS HA 1 43 LYS QD . . 4.460 4.038 3.547 4.514 0.054 18 0 "[ . 1 . 2]" 1
841 1 43 LYS HA 1 43 LYS HG2 . . 3.950 2.961 2.246 3.776 . 0 0 "[ . 1 . 2]" 1
842 1 43 LYS HA 1 43 LYS HG3 . . 4.110 3.214 2.274 4.194 0.084 11 0 "[ . 1 . 2]" 1
843 1 43 LYS HA 1 44 ARG H . . 2.830 2.200 2.096 2.378 . 0 0 "[ . 1 . 2]" 1
844 1 43 LYS HA 1 44 ARG HA . . 4.510 4.495 4.393 4.557 0.047 10 0 "[ . 1 . 2]" 1
845 1 43 LYS QB 1 43 LYS QE . . 4.100 2.922 2.052 3.837 . 0 0 "[ . 1 . 2]" 1
846 1 43 LYS QB 1 43 LYS HG3 . . 2.650 2.394 2.123 2.537 . 0 0 "[ . 1 . 2]" 1
847 1 43 LYS QB 1 44 ARG H . . 4.210 3.548 3.171 3.837 . 0 0 "[ . 1 . 2]" 1
848 1 43 LYS QB 1 45 THR MG . . 3.200 2.784 2.270 3.300 0.100 15 0 "[ . 1 . 2]" 1
849 1 43 LYS QB 1 93 GLU H . . 4.210 4.183 3.423 4.303 0.093 6 0 "[ . 1 . 2]" 1
850 1 43 LYS HB2 1 45 THR H . . 3.770 3.406 2.328 4.637 0.867 20 1 "[ . 1 . +]" 1
851 1 43 LYS HG2 1 44 ARG H . . 5.110 4.804 3.712 5.879 0.769 10 1 "[ . + . 2]" 1
852 1 44 ARG H 1 44 ARG QB . . 2.920 2.649 2.478 2.867 . 0 0 "[ . 1 . 2]" 1
853 1 44 ARG H 1 44 ARG QD . . 3.360 3.276 3.042 3.455 0.095 9 0 "[ . 1 . 2]" 1
854 1 44 ARG H 1 44 ARG QG . . 4.870 1.937 1.745 2.220 . 0 0 "[ . 1 . 2]" 1
855 1 44 ARG H 1 45 THR H . . 4.770 2.645 2.225 2.869 . 0 0 "[ . 1 . 2]" 1
856 1 44 ARG H 1 92 TYR HB3 . . 5.500 4.364 3.990 4.817 . 0 0 "[ . 1 . 2]" 1
857 1 44 ARG H 1 92 TYR QD . . 3.310 2.554 2.247 2.978 . 0 0 "[ . 1 . 2]" 1
858 1 44 ARG H 1 92 TYR QE . . 3.800 2.958 2.641 3.415 . 0 0 "[ . 1 . 2]" 1
859 1 44 ARG HA 1 44 ARG QD . . 4.030 3.962 3.725 4.125 0.095 13 0 "[ . 1 . 2]" 1
860 1 44 ARG HA 1 44 ARG QG . . 3.610 3.393 3.326 3.449 . 0 0 "[ . 1 . 2]" 1
861 1 44 ARG HA 1 45 THR H . . 3.280 3.217 3.127 3.335 0.055 12 0 "[ . 1 . 2]" 1
862 1 44 ARG HA 1 45 THR MG . . 4.210 3.398 3.062 3.751 . 0 0 "[ . 1 . 2]" 1
863 1 44 ARG HA 1 92 TYR H . . 5.500 3.401 3.228 3.608 . 0 0 "[ . 1 . 2]" 1
864 1 44 ARG HA 1 92 TYR HA . . 3.210 2.153 1.958 2.579 . 0 0 "[ . 1 . 2]" 1
865 1 44 ARG HA 1 92 TYR HB3 . . 4.840 4.082 3.936 4.329 . 0 0 "[ . 1 . 2]" 1
866 1 44 ARG HA 1 92 TYR QD . . 3.720 3.523 3.318 3.741 0.021 5 0 "[ . 1 . 2]" 1
867 1 44 ARG HA 1 92 TYR QE . . 4.720 4.325 3.905 4.666 . 0 0 "[ . 1 . 2]" 1
868 1 44 ARG HA 1 93 GLU H . . 4.360 3.741 3.421 4.320 . 0 0 "[ . 1 . 2]" 1
869 1 44 ARG QB 1 44 ARG QD . . 3.010 2.082 1.965 2.245 . 0 0 "[ . 1 . 2]" 1
870 1 44 ARG QB 1 89 LYS HA . . 3.700 3.225 2.953 3.568 . 0 0 "[ . 1 . 2]" 1
871 1 44 ARG QB 1 92 TYR QD . . 3.370 3.147 2.906 3.407 0.037 19 0 "[ . 1 . 2]" 1
872 1 44 ARG QB 1 92 TYR QE . . 2.800 2.787 2.412 2.916 0.116 5 0 "[ . 1 . 2]" 1
873 1 44 ARG QD 1 45 THR H . . 4.950 4.045 2.414 5.039 0.089 17 0 "[ . 1 . 2]" 1
874 1 44 ARG QD 1 89 LYS HA . . 3.150 3.114 2.495 3.251 0.101 8 0 "[ . 1 . 2]" 1
875 1 44 ARG QD 1 91 ILE H . . 5.500 4.435 4.006 4.856 . 0 0 "[ . 1 . 2]" 1
876 1 44 ARG QD 1 92 TYR QE . . 4.110 3.216 2.154 4.229 0.119 9 0 "[ . 1 . 2]" 1
877 1 44 ARG QG 1 45 THR H . . 4.100 3.071 2.909 3.235 . 0 0 "[ . 1 . 2]" 1
878 1 44 ARG QG 1 89 LYS HA . . 4.210 4.066 3.707 4.165 . 0 0 "[ . 1 . 2]" 1
879 1 44 ARG QG 1 91 ILE H . . 5.500 4.478 3.992 4.824 . 0 0 "[ . 1 . 2]" 1
880 1 44 ARG QG 1 92 TYR QD . . 5.360 3.815 2.945 4.413 . 0 0 "[ . 1 . 2]" 1
881 1 44 ARG QG 1 92 TYR QE . . 3.650 2.959 2.157 3.610 . 0 0 "[ . 1 . 2]" 1
882 1 45 THR H 1 45 THR MG . . 3.290 2.694 2.511 2.845 . 0 0 "[ . 1 . 2]" 1
883 1 45 THR H 1 47 LYS H . . 5.150 5.205 5.144 5.240 0.090 7 0 "[ . 1 . 2]" 1
884 1 45 THR H 1 92 TYR HA . . 4.180 4.254 4.226 4.272 0.092 1 0 "[ . 1 . 2]" 1
885 1 45 THR H 1 92 TYR QD . . 4.910 4.804 4.528 4.970 0.060 12 0 "[ . 1 . 2]" 1
886 1 45 THR H 1 92 TYR QE . . 5.500 5.410 4.954 5.593 0.093 12 0 "[ . 1 . 2]" 1
887 1 45 THR H 1 93 GLU H . . 4.990 4.849 4.469 5.070 0.080 5 0 "[ . 1 . 2]" 1
888 1 45 THR HA 1 45 THR HB . . 2.980 2.351 2.290 2.427 . 0 0 "[ . 1 . 2]" 1
889 1 45 THR HA 1 45 THR MG . . 3.190 2.523 2.423 2.679 . 0 0 "[ . 1 . 2]" 1
890 1 45 THR HA 1 46 GLU H . . 3.090 2.724 2.501 2.937 . 0 0 "[ . 1 . 2]" 1
891 1 45 THR HA 1 46 GLU HG2 . . 5.100 4.587 3.753 5.557 0.457 15 0 "[ . 1 . 2]" 1
892 1 45 THR HA 1 47 LYS H . . 4.320 4.192 3.982 4.352 0.032 17 0 "[ . 1 . 2]" 1
893 1 45 THR HB 1 46 GLU H . . 2.930 2.353 2.169 2.612 . 0 0 "[ . 1 . 2]" 1
894 1 45 THR HB 1 47 LYS H . . 3.450 3.268 2.709 3.527 0.077 2 0 "[ . 1 . 2]" 1
895 1 45 THR HB 1 47 LYS HG2 . . 4.920 4.141 3.329 5.102 0.182 9 0 "[ . 1 . 2]" 1
896 1 45 THR HB 1 47 LYS HG3 . . 5.020 4.062 2.735 5.074 0.054 6 0 "[ . 1 . 2]" 1
897 1 45 THR MG 1 46 GLU H . . 4.190 3.918 3.745 4.130 . 0 0 "[ . 1 . 2]" 1
898 1 45 THR MG 1 47 LYS H . . 4.540 4.137 3.849 4.355 . 0 0 "[ . 1 . 2]" 1
899 1 45 THR MG 1 91 ILE MG . . 4.040 3.583 2.895 4.044 0.004 3 0 "[ . 1 . 2]" 1
900 1 45 THR MG 1 92 TYR H . . 5.400 5.403 5.231 5.512 0.112 2 0 "[ . 1 . 2]" 1
901 1 45 THR MG 1 92 TYR HA . . 3.540 3.633 3.542 3.658 0.118 7 0 "[ . 1 . 2]" 1
902 1 45 THR MG 1 93 GLU H . . 3.760 3.078 2.755 3.562 . 0 0 "[ . 1 . 2]" 1
903 1 46 GLU H 1 46 GLU HB2 . . 3.560 2.667 2.179 3.624 0.064 5 0 "[ . 1 . 2]" 1
904 1 46 GLU H 1 46 GLU HB3 . . 3.510 3.356 2.553 3.635 0.125 13 0 "[ . 1 . 2]" 1
905 1 46 GLU H 1 46 GLU HG2 . . 4.160 3.053 1.804 4.220 0.060 15 0 "[ . 1 . 2]" 1
906 1 46 GLU H 1 46 GLU HG3 . . 4.150 3.223 2.646 4.029 . 0 0 "[ . 1 . 2]" 1
907 1 46 GLU H 1 47 LYS H . . 3.370 2.590 2.277 2.769 . 0 0 "[ . 1 . 2]" 1
908 1 46 GLU H 1 47 LYS HG2 . . 5.360 4.215 3.407 5.377 0.017 20 0 "[ . 1 . 2]" 1
909 1 46 GLU HA 1 46 GLU HB2 . . 2.800 2.875 2.332 3.045 0.245 18 0 "[ . 1 . 2]" 1
910 1 46 GLU HA 1 46 GLU HG2 . . 3.830 2.733 2.148 3.842 0.012 5 0 "[ . 1 . 2]" 1
911 1 46 GLU HA 1 46 GLU HG3 . . 3.910 3.429 2.779 3.922 0.012 2 0 "[ . 1 . 2]" 1
912 1 46 GLU HB2 1 47 LYS H . . 4.330 3.957 3.329 4.408 0.078 1 0 "[ . 1 . 2]" 1
913 1 46 GLU HB3 1 47 LYS H . . 4.370 4.351 4.072 4.442 0.072 19 0 "[ . 1 . 2]" 1
914 1 47 LYS H 1 47 LYS HB2 . . 3.380 2.450 2.344 2.554 . 0 0 "[ . 1 . 2]" 1
915 1 47 LYS H 1 47 LYS HB3 . . 3.510 3.580 3.559 3.591 0.081 17 0 "[ . 1 . 2]" 1
916 1 47 LYS H 1 47 LYS HG2 . . 2.960 2.667 2.090 3.480 0.520 9 2 "[ . +1 . -]" 1
917 1 47 LYS H 1 47 LYS HG3 . . 4.090 3.094 2.141 3.698 . 0 0 "[ . 1 . 2]" 1
918 1 47 LYS H 1 48 GLN H . . 4.640 4.589 4.506 4.662 0.022 5 0 "[ . 1 . 2]" 1
919 1 47 LYS H 1 91 ILE HB . . 4.960 4.651 4.049 5.016 0.056 2 0 "[ . 1 . 2]" 1
920 1 47 LYS H 1 91 ILE MD . . 5.210 4.462 3.938 4.856 . 0 0 "[ . 1 . 2]" 1
921 1 47 LYS H 1 91 ILE MG . . 5.320 5.017 4.222 5.388 0.068 2 0 "[ . 1 . 2]" 1
922 1 47 LYS HA 1 47 LYS HG2 . . 3.160 2.725 2.326 3.083 . 0 0 "[ . 1 . 2]" 1
923 1 47 LYS HA 1 47 LYS HG3 . . 3.910 3.654 3.079 3.864 . 0 0 "[ . 1 . 2]" 1
924 1 47 LYS HA 1 48 GLN H . . 2.640 2.340 2.127 2.502 . 0 0 "[ . 1 . 2]" 1
925 1 47 LYS HA 1 48 GLN HE21 . . 5.500 5.496 4.988 5.582 0.082 13 0 "[ . 1 . 2]" 1
926 1 47 LYS HA 1 48 GLN QG . . 4.660 3.667 3.101 4.054 . 0 0 "[ . 1 . 2]" 1
927 1 47 LYS HA 1 91 ILE MD . . 5.440 4.238 3.816 4.590 . 0 0 "[ . 1 . 2]" 1
928 1 47 LYS HB2 1 47 LYS HE3 . . 4.530 3.701 2.537 4.617 0.087 20 0 "[ . 1 . 2]" 1
929 1 47 LYS HB2 1 48 GLN H . . 3.730 3.626 3.301 3.801 0.071 13 0 "[ . 1 . 2]" 1
930 1 47 LYS HB2 1 91 ILE HB . . 4.030 2.998 2.426 3.297 . 0 0 "[ . 1 . 2]" 1
931 1 47 LYS HB2 1 91 ILE MD . . 3.340 2.366 2.158 2.785 . 0 0 "[ . 1 . 2]" 1
932 1 47 LYS HB2 1 91 ILE MG . . 3.320 3.228 2.391 3.427 0.107 20 0 "[ . 1 . 2]" 1
933 1 47 LYS HB3 1 47 LYS HE3 . . 4.640 2.785 2.027 4.702 0.062 19 0 "[ . 1 . 2]" 1
934 1 47 LYS HB3 1 48 GLN H . . 4.430 2.409 2.117 2.663 . 0 0 "[ . 1 . 2]" 1
935 1 47 LYS HB3 1 91 ILE MD . . 4.190 2.265 2.063 2.575 . 0 0 "[ . 1 . 2]" 1
936 1 47 LYS HB3 1 91 ILE MG . . 4.550 3.803 2.895 4.252 . 0 0 "[ . 1 . 2]" 1
937 1 47 LYS HE2 1 47 LYS HG2 . . 3.480 3.493 2.563 3.871 0.391 7 0 "[ . 1 . 2]" 1
938 1 47 LYS HE2 1 91 ILE MD . . 5.020 4.089 3.123 5.017 . 0 0 "[ . 1 . 2]" 1
939 1 47 LYS HE2 1 91 ILE MG . . 4.890 4.098 3.005 4.979 0.089 10 0 "[ . 1 . 2]" 1
940 1 47 LYS HE3 1 47 LYS HG2 . . 4.120 3.497 2.166 4.031 . 0 0 "[ . 1 . 2]" 1
941 1 47 LYS HE3 1 91 ILE MD . . 4.710 3.441 2.113 4.531 . 0 0 "[ . 1 . 2]" 1
942 1 47 LYS HE3 1 91 ILE MG . . 4.510 3.950 2.013 4.993 0.483 15 0 "[ . 1 . 2]" 1
943 1 47 LYS HG2 1 48 GLN H . . 4.650 4.446 3.843 4.727 0.077 4 0 "[ . 1 . 2]" 1
944 1 47 LYS HG2 1 91 ILE MD . . 5.080 4.389 4.066 4.884 . 0 0 "[ . 1 . 2]" 1
945 1 47 LYS HG3 1 48 GLN H . . 5.020 4.876 4.673 5.105 0.085 17 0 "[ . 1 . 2]" 1
946 1 47 LYS HG3 1 91 ILE MD . . 5.040 3.715 2.869 4.294 . 0 0 "[ . 1 . 2]" 1
947 1 48 GLN H 1 48 GLN HB2 . . 3.800 3.245 2.314 3.875 0.075 15 0 "[ . 1 . 2]" 1
948 1 48 GLN H 1 48 GLN HB3 . . 3.130 3.365 3.055 3.788 0.658 1 6 "[+ . - 1 *. * **]" 1
949 1 48 GLN H 1 48 GLN HE21 . . 5.500 4.382 3.192 5.092 . 0 0 "[ . 1 . 2]" 1
950 1 48 GLN H 1 48 GLN QG . . 3.640 2.369 1.895 2.878 . 0 0 "[ . 1 . 2]" 1
951 1 48 GLN H 1 50 ILE MG . . 5.500 5.107 4.554 5.502 0.002 9 0 "[ . 1 . 2]" 1
952 1 48 GLN H 1 91 ILE MD . . 4.600 3.416 2.879 4.097 . 0 0 "[ . 1 . 2]" 1
953 1 48 GLN HA 1 48 GLN HB3 . . 3.020 2.406 2.215 2.570 . 0 0 "[ . 1 . 2]" 1
954 1 48 GLN HA 1 48 GLN HE21 . . 5.470 4.365 2.133 5.370 . 0 0 "[ . 1 . 2]" 1
955 1 48 GLN HA 1 48 GLN QG . . 3.720 3.017 2.302 3.408 . 0 0 "[ . 1 . 2]" 1
956 1 48 GLN HA 1 49 SER H . . 2.680 2.220 1.971 2.456 . 0 0 "[ . 1 . 2]" 1
957 1 48 GLN HA 1 50 ILE MG . . 5.400 4.682 3.898 5.257 . 0 0 "[ . 1 . 2]" 1
958 1 48 GLN HA 1 91 ILE MD . . 5.010 3.996 3.282 4.725 . 0 0 "[ . 1 . 2]" 1
959 1 48 GLN HB2 1 49 SER H . . 3.650 3.472 2.538 4.456 0.806 12 6 "[* * * 1 + *. - 2]" 1
960 1 48 GLN HB2 1 50 ILE MG . . 3.930 3.389 2.458 3.870 . 0 0 "[ . 1 . 2]" 1
961 1 48 GLN HE21 1 50 ILE MG . . 5.500 4.938 2.732 5.592 0.092 6 0 "[ . 1 . 2]" 1
962 1 48 GLN QG 1 49 SER H . . 4.700 4.232 3.761 4.560 . 0 0 "[ . 1 . 2]" 1
963 1 48 GLN QG 1 50 ILE MG . . 4.950 3.623 2.475 4.382 . 0 0 "[ . 1 . 2]" 1
964 1 49 SER H 1 49 SER QB . . 3.270 2.466 2.094 2.930 . 0 0 "[ . 1 . 2]" 1
965 1 49 SER H 1 50 ILE MG . . 4.670 4.020 3.229 4.583 . 0 0 "[ . 1 . 2]" 1
966 1 49 SER H 1 51 GLN H . . 5.500 5.432 4.977 5.592 0.092 12 0 "[ . 1 . 2]" 1
967 1 49 SER H 1 88 TYR H . . 5.500 5.273 4.840 5.557 0.057 8 0 "[ . 1 . 2]" 1
968 1 49 SER H 1 89 LYS HA . . 4.680 4.160 3.520 4.749 0.069 14 0 "[ . 1 . 2]" 1
969 1 49 SER H 1 90 GLY H . . 5.290 4.081 3.276 4.677 . 0 0 "[ . 1 . 2]" 1
970 1 49 SER H 1 91 ILE MD . . 4.440 3.721 3.236 4.450 0.010 10 0 "[ . 1 . 2]" 1
971 1 49 SER HA 1 50 ILE H . . 2.750 2.318 2.188 2.566 . 0 0 "[ . 1 . 2]" 1
972 1 49 SER HA 1 51 GLN H . . 4.250 3.907 3.284 4.314 0.064 8 0 "[ . 1 . 2]" 1
973 1 49 SER HA 1 91 ILE MD . . 3.880 2.319 2.089 2.739 . 0 0 "[ . 1 . 2]" 1
974 1 49 SER QB 1 50 ILE H . . 4.630 3.392 2.645 3.997 . 0 0 "[ . 1 . 2]" 1
975 1 49 SER QB 1 51 GLN H . . 5.120 3.561 2.610 4.052 . 0 0 "[ . 1 . 2]" 1
976 1 49 SER QB 1 51 GLN QG . . 4.410 3.538 2.464 4.173 . 0 0 "[ . 1 . 2]" 1
977 1 49 SER QB 1 87 PRO HA . . 4.830 4.396 3.502 4.745 . 0 0 "[ . 1 . 2]" 1
978 1 49 SER QB 1 88 TYR H . . 4.140 3.977 3.657 4.131 . 0 0 "[ . 1 . 2]" 1
979 1 49 SER QB 1 88 TYR HA . . 4.490 2.241 2.076 2.563 . 0 0 "[ . 1 . 2]" 1
980 1 49 SER QB 1 89 LYS H . . 4.260 3.355 3.119 3.511 . 0 0 "[ . 1 . 2]" 1
981 1 49 SER QB 1 89 LYS HA . . 3.780 3.705 3.570 3.805 0.025 4 0 "[ . 1 . 2]" 1
982 1 49 SER QB 1 90 GLY H . . 3.950 2.094 1.881 2.250 . 0 0 "[ . 1 . 2]" 1
983 1 49 SER QB 1 91 ILE MD . . 4.300 3.057 2.306 3.911 . 0 0 "[ . 1 . 2]" 1
984 1 49 SER QB 1 91 ILE HG12 . . 3.920 3.013 2.367 3.755 . 0 0 "[ . 1 . 2]" 1
985 1 49 SER QB 1 91 ILE HG13 . . 4.720 2.697 2.011 3.804 . 0 0 "[ . 1 . 2]" 1
986 1 50 ILE H 1 50 ILE MD . . 4.000 3.969 3.595 4.092 0.092 7 0 "[ . 1 . 2]" 1
987 1 50 ILE H 1 50 ILE HG12 . . 3.520 2.523 1.909 3.529 0.009 17 0 "[ . 1 . 2]" 1
988 1 50 ILE H 1 50 ILE HG13 . . 3.620 2.868 2.247 3.326 . 0 0 "[ . 1 . 2]" 1
989 1 50 ILE H 1 50 ILE MG . . 3.650 2.985 2.263 3.342 . 0 0 "[ . 1 . 2]" 1
990 1 50 ILE H 1 51 GLN H . . 2.970 2.418 1.772 3.048 0.078 19 0 "[ . 1 . 2]" 1
991 1 50 ILE H 1 51 GLN HB3 . . 5.140 4.452 3.977 5.202 0.062 5 0 "[ . 1 . 2]" 1
992 1 50 ILE H 1 51 GLN QG . . 5.070 2.614 2.201 3.703 . 0 0 "[ . 1 . 2]" 1
993 1 50 ILE H 1 91 ILE MD . . 5.500 4.164 3.809 4.755 . 0 0 "[ . 1 . 2]" 1
994 1 50 ILE HA 1 50 ILE HB . . 2.860 2.454 2.355 2.517 . 0 0 "[ . 1 . 2]" 1
995 1 50 ILE HA 1 50 ILE MD . . 4.370 4.168 3.870 4.231 . 0 0 "[ . 1 . 2]" 1
996 1 50 ILE HA 1 50 ILE MG . . 3.000 2.310 2.229 2.389 . 0 0 "[ . 1 . 2]" 1
997 1 50 ILE HA 1 51 GLN H . . 3.260 3.045 2.683 3.228 . 0 0 "[ . 1 . 2]" 1
998 1 50 ILE HA 1 88 TYR QE . . 4.170 3.779 2.761 4.255 0.085 12 0 "[ . 1 . 2]" 1
999 1 50 ILE HB 1 50 ILE MD . . 3.270 2.340 2.214 2.427 . 0 0 "[ . 1 . 2]" 1
1000 1 50 ILE HB 1 51 GLN H . . 4.700 4.529 4.395 4.626 . 0 0 "[ . 1 . 2]" 1
1001 1 50 ILE HB 1 88 TYR QE . . 5.310 4.839 4.061 5.381 0.071 4 0 "[ . 1 . 2]" 1
1002 1 50 ILE HG12 1 51 GLN H . . 4.740 4.479 3.999 4.816 0.076 17 0 "[ . 1 . 2]" 1
1003 1 50 ILE HG13 1 51 GLN H . . 4.570 3.939 3.249 4.491 . 0 0 "[ . 1 . 2]" 1
1004 1 50 ILE HG13 1 51 GLN QG . . 4.710 3.594 2.352 4.587 . 0 0 "[ . 1 . 2]" 1
1005 1 50 ILE MG 1 51 GLN H . . 4.840 4.426 4.306 4.572 . 0 0 "[ . 1 . 2]" 1
1006 1 51 GLN H 1 51 GLN HB3 . . 3.970 3.402 2.866 3.627 . 0 0 "[ . 1 . 2]" 1
1007 1 51 GLN H 1 51 GLN QE . . 4.770 4.473 3.739 4.661 . 0 0 "[ . 1 . 2]" 1
1008 1 51 GLN H 1 51 GLN QG . . 3.680 2.155 1.702 2.422 . 0 0 "[ . 1 . 2]" 1
1009 1 51 GLN HA 1 52 ASP H . . 2.860 2.398 2.237 2.628 . 0 0 "[ . 1 . 2]" 1
1010 1 51 GLN HA 1 53 TYR H . . 4.950 4.047 3.809 4.212 . 0 0 "[ . 1 . 2]" 1
1011 1 51 GLN HB2 1 52 ASP H . . 3.490 2.357 2.075 2.532 . 0 0 "[ . 1 . 2]" 1
1012 1 51 GLN HB2 1 53 TYR H . . 3.810 2.349 2.160 2.436 . 0 0 "[ . 1 . 2]" 1
1013 1 51 GLN HB3 1 52 ASP H . . 3.440 3.437 3.154 3.519 0.079 5 0 "[ . 1 . 2]" 1
1014 1 51 GLN HB3 1 53 TYR H . . 3.970 4.024 3.839 4.051 0.081 2 0 "[ . 1 . 2]" 1
1015 1 51 GLN QE 1 53 TYR HA . . 4.800 4.364 3.944 4.689 . 0 0 "[ . 1 . 2]" 1
1016 1 51 GLN QE 1 54 PRO HA . . 4.230 2.771 2.314 3.096 . 0 0 "[ . 1 . 2]" 1
1017 1 51 GLN QE 1 54 PRO HB3 . . 5.400 4.535 4.039 4.901 . 0 0 "[ . 1 . 2]" 1
1018 1 51 GLN QE 1 55 SER H . . 5.110 4.001 3.390 4.542 . 0 0 "[ . 1 . 2]" 1
1019 1 51 GLN QE 1 55 SER HB2 . . 5.360 4.372 3.253 6.159 0.799 2 2 "[ + - 1 . 2]" 1
1020 1 51 GLN QG 1 52 ASP H . . 4.900 4.023 3.597 4.415 . 0 0 "[ . 1 . 2]" 1
1021 1 51 GLN QG 1 53 TYR H . . 4.250 3.956 3.630 4.125 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ASP H 1 52 ASP QB . . 3.110 2.475 2.279 2.662 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ASP H 1 53 TYR H . . 3.400 2.078 1.836 2.371 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ASP QB 1 53 TYR H . . 3.510 3.434 3.148 3.564 0.054 8 0 "[ . 1 . 2]" 1
1025 1 52 ASP QB 1 53 TYR QD . . 3.490 2.385 2.121 2.899 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ASP QB 1 53 TYR QE . . 3.280 3.305 2.791 3.396 0.116 7 0 "[ . 1 . 2]" 1
1027 1 53 TYR H 1 53 TYR HB2 . . 3.340 2.744 2.591 2.864 . 0 0 "[ . 1 . 2]" 1
1028 1 53 TYR HA 1 54 PRO HG2 . . 4.900 4.693 4.473 4.846 . 0 0 "[ . 1 . 2]" 1
1029 1 53 TYR HA 1 54 PRO HG3 . . 5.020 4.662 4.425 4.806 . 0 0 "[ . 1 . 2]" 1
1030 1 53 TYR HA 1 74 PHE QD . . 4.100 3.338 3.005 3.843 . 0 0 "[ . 1 . 2]" 1
1031 1 53 TYR HA 1 74 PHE QE . . 3.660 3.503 3.118 3.726 0.066 7 0 "[ . 1 . 2]" 1
1032 1 53 TYR HB3 1 74 PHE QD . . 5.230 5.210 4.683 5.305 0.075 10 0 "[ . 1 . 2]" 1
1033 1 53 TYR QE 1 74 PHE QE . . 4.230 3.138 2.450 3.686 . 0 0 "[ . 1 . 2]" 1
1034 1 54 PRO HA 1 55 SER H . . 2.690 2.416 2.175 2.563 . 0 0 "[ . 1 . 2]" 1
1035 1 54 PRO HA 1 56 ALA H . . 4.050 4.023 3.489 4.127 0.077 2 0 "[ . 1 . 2]" 1
1036 1 54 PRO HB2 1 55 SER H . . 3.820 2.645 2.353 3.296 . 0 0 "[ . 1 . 2]" 1
1037 1 54 PRO HB2 1 56 ALA H . . 3.580 2.265 1.839 2.621 . 0 0 "[ . 1 . 2]" 1
1038 1 54 PRO HB2 1 56 ALA MB . . 3.780 2.888 2.336 3.470 . 0 0 "[ . 1 . 2]" 1
1039 1 54 PRO HB2 1 59 TYR QD . . 5.320 3.738 3.444 3.948 . 0 0 "[ . 1 . 2]" 1
1040 1 54 PRO HB2 1 76 TYR QD . . 3.720 3.035 2.575 3.438 . 0 0 "[ . 1 . 2]" 1
1041 1 54 PRO HB3 1 55 SER H . . 4.200 3.535 3.340 3.908 . 0 0 "[ . 1 . 2]" 1
1042 1 54 PRO HB3 1 56 ALA H . . 4.150 3.953 3.310 4.170 0.020 14 0 "[ . 1 . 2]" 1
1043 1 54 PRO HB3 1 59 TYR QD . . 4.640 4.682 4.492 4.741 0.101 17 0 "[ . 1 . 2]" 1
1044 1 54 PRO HB3 1 76 TYR QD . . 4.450 2.642 2.333 3.085 . 0 0 "[ . 1 . 2]" 1
1045 1 54 PRO HG2 1 59 TYR QD . . 5.200 3.201 2.535 3.860 . 0 0 "[ . 1 . 2]" 1
1046 1 54 PRO HG2 1 59 TYR QE . . 4.250 2.990 2.586 3.318 . 0 0 "[ . 1 . 2]" 1
1047 1 54 PRO HG2 1 74 PHE HB2 . . 4.280 4.289 4.131 4.349 0.069 1 0 "[ . 1 . 2]" 1
1048 1 54 PRO HG2 1 74 PHE HB3 . . 4.480 4.427 4.268 4.557 0.077 17 0 "[ . 1 . 2]" 1
1049 1 54 PRO HG2 1 74 PHE QD . . 4.930 4.652 3.517 5.004 0.074 19 0 "[ . 1 . 2]" 1
1050 1 54 PRO HG3 1 59 TYR HB2 . . 4.610 3.654 3.220 4.279 . 0 0 "[ . 1 . 2]" 1
1051 1 54 PRO HG3 1 59 TYR HB3 . . 4.930 3.667 3.185 4.234 . 0 0 "[ . 1 . 2]" 1
1052 1 54 PRO HG3 1 59 TYR QD . . 4.810 3.335 3.075 3.739 . 0 0 "[ . 1 . 2]" 1
1053 1 54 PRO HG3 1 74 PHE HB2 . . 4.280 2.600 2.385 2.747 . 0 0 "[ . 1 . 2]" 1
1054 1 54 PRO HG3 1 74 PHE HB3 . . 3.970 2.772 2.516 3.274 . 0 0 "[ . 1 . 2]" 1
1055 1 54 PRO HG3 1 74 PHE QD . . 5.140 3.579 2.462 3.936 . 0 0 "[ . 1 . 2]" 1
1056 1 54 PRO HG3 1 75 TYR H . . 5.500 5.017 4.272 5.395 . 0 0 "[ . 1 . 2]" 1
1057 1 54 PRO HG3 1 76 TYR HB3 . . 5.340 4.875 4.344 5.396 0.056 10 0 "[ . 1 . 2]" 1
1058 1 54 PRO HG3 1 76 TYR QD . . 3.630 3.695 3.523 3.730 0.100 15 0 "[ . 1 . 2]" 1
1059 1 55 SER H 1 55 SER HB2 . . 3.320 2.583 2.056 3.577 0.257 5 0 "[ . 1 . 2]" 1
1060 1 55 SER H 1 55 SER HB3 . . 3.520 2.942 2.609 3.471 . 0 0 "[ . 1 . 2]" 1
1061 1 55 SER H 1 56 ALA H . . 3.240 2.388 1.981 2.976 . 0 0 "[ . 1 . 2]" 1
1062 1 55 SER H 1 56 ALA MB . . 4.730 3.885 3.626 4.325 . 0 0 "[ . 1 . 2]" 1
1063 1 55 SER H 1 76 TYR QD . . 5.070 4.500 3.906 5.130 0.060 10 0 "[ . 1 . 2]" 1
1064 1 55 SER HA 1 55 SER HB2 . . 2.660 2.667 2.421 2.768 0.108 10 0 "[ . 1 . 2]" 1
1065 1 55 SER HB2 1 56 ALA H . . 4.480 4.165 3.642 4.495 0.015 8 0 "[ . 1 . 2]" 1
1066 1 55 SER HB3 1 56 ALA H . . 4.160 3.941 3.192 4.451 0.291 2 0 "[ . 1 . 2]" 1
1067 1 56 ALA H 1 56 ALA MB . . 3.010 2.298 2.186 2.582 . 0 0 "[ . 1 . 2]" 1
1068 1 56 ALA H 1 57 GLU H . . 4.600 4.567 4.418 4.660 0.060 5 0 "[ . 1 . 2]" 1
1069 1 56 ALA H 1 58 GLU H . . 5.500 5.395 5.251 5.576 0.076 1 0 "[ . 1 . 2]" 1
1070 1 56 ALA H 1 59 TYR QD . . 5.500 3.992 3.424 4.342 . 0 0 "[ . 1 . 2]" 1
1071 1 56 ALA HA 1 57 GLU H . . 2.570 2.309 2.215 2.442 . 0 0 "[ . 1 . 2]" 1
1072 1 56 ALA HA 1 57 GLU QB . . 4.010 4.079 4.015 4.103 0.093 14 0 "[ . 1 . 2]" 1
1073 1 56 ALA HA 1 58 GLU H . . 4.090 3.900 3.739 4.151 0.061 17 0 "[ . 1 . 2]" 1
1074 1 56 ALA MB 1 57 GLU H . . 3.410 2.547 2.235 2.817 . 0 0 "[ . 1 . 2]" 1
1075 1 56 ALA MB 1 57 GLU HA . . 4.990 4.220 4.050 4.348 . 0 0 "[ . 1 . 2]" 1
1076 1 56 ALA MB 1 58 GLU H . . 3.430 2.407 2.077 2.814 . 0 0 "[ . 1 . 2]" 1
1077 1 56 ALA MB 1 59 TYR HA . . 4.460 4.261 3.767 4.537 0.077 1 0 "[ . 1 . 2]" 1
1078 1 56 ALA MB 1 59 TYR HB2 . . 4.630 4.357 3.917 4.673 0.043 14 0 "[ . 1 . 2]" 1
1079 1 56 ALA MB 1 59 TYR HB3 . . 4.050 2.877 2.488 3.197 . 0 0 "[ . 1 . 2]" 1
1080 1 56 ALA MB 1 59 TYR QD . . 3.070 2.624 2.216 3.127 0.057 17 0 "[ . 1 . 2]" 1
1081 1 56 ALA MB 1 76 TYR HA . . 5.500 4.199 3.856 4.722 . 0 0 "[ . 1 . 2]" 1
1082 1 56 ALA MB 1 76 TYR HB2 . . 3.860 2.422 2.098 2.928 . 0 0 "[ . 1 . 2]" 1
1083 1 56 ALA MB 1 76 TYR HB3 . . 4.280 2.559 2.345 3.008 . 0 0 "[ . 1 . 2]" 1
1084 1 56 ALA MB 1 76 TYR QD . . 3.110 2.607 2.253 3.030 . 0 0 "[ . 1 . 2]" 1
1085 1 56 ALA MB 1 77 GLU H . . 5.130 3.962 3.344 4.729 . 0 0 "[ . 1 . 2]" 1
1086 1 57 GLU H 1 57 GLU HB2 . . 2.920 2.451 2.007 3.771 0.851 1 4 "[+ - . *1* . 2]" 1
1087 1 57 GLU H 1 57 GLU QB . . 3.130 2.240 1.978 2.864 . 0 0 "[ . 1 . 2]" 1
1088 1 57 GLU H 1 57 GLU HG3 . . 3.720 3.809 2.817 4.432 0.712 6 5 "[ * .+ - 1 * * 2]" 1
1089 1 57 GLU H 1 58 GLU H . . 3.190 2.222 1.792 2.508 . 0 0 "[ . 1 . 2]" 1
1090 1 57 GLU H 1 58 GLU HA . . 5.500 4.966 4.623 5.219 . 0 0 "[ . 1 . 2]" 1
1091 1 57 GLU HA 1 57 GLU QB . . 2.750 2.478 2.149 2.593 . 0 0 "[ . 1 . 2]" 1
1092 1 57 GLU HA 1 57 GLU QG . . 3.490 2.523 2.049 3.546 0.056 1 0 "[ . 1 . 2]" 1
1093 1 57 GLU HA 1 59 TYR QD . . 4.460 4.088 3.451 4.546 0.086 16 0 "[ . 1 . 2]" 1
1094 1 57 GLU QB 1 58 GLU H . . 3.600 3.140 2.819 3.699 0.099 3 0 "[ . 1 . 2]" 1
1095 1 57 GLU QG 1 58 GLU H . . 4.790 4.231 2.289 4.853 0.063 6 0 "[ . 1 . 2]" 1
1096 1 58 GLU H 1 58 GLU HB2 . . 3.060 2.775 2.416 3.885 0.825 19 4 "[ * 1 -* +2]" 1
1097 1 58 GLU H 1 58 GLU QG . . 3.570 3.039 1.999 3.634 0.064 12 0 "[ . 1 . 2]" 1
1098 1 58 GLU H 1 59 TYR HA . . 5.500 5.066 4.846 5.239 . 0 0 "[ . 1 . 2]" 1
1099 1 58 GLU H 1 59 TYR HB3 . . 5.500 4.637 4.319 4.960 . 0 0 "[ . 1 . 2]" 1
1100 1 58 GLU H 1 59 TYR QD . . 5.070 3.707 3.067 4.265 . 0 0 "[ . 1 . 2]" 1
1101 1 58 GLU H 1 76 TYR HB3 . . 5.050 5.068 4.718 5.125 0.075 5 0 "[ . 1 . 2]" 1
1102 1 58 GLU HA 1 58 GLU QG . . 3.400 2.532 2.224 3.411 0.011 19 0 "[ . 1 . 2]" 1
1103 1 58 GLU HA 1 59 TYR H . . 2.590 2.110 2.013 2.209 . 0 0 "[ . 1 . 2]" 1
1104 1 58 GLU QB 1 58 GLU QG . . 2.400 2.099 2.039 2.127 . 0 0 "[ . 1 . 2]" 1
1105 1 58 GLU HB3 1 59 TYR H . . 3.690 3.834 3.573 4.372 0.682 15 4 "[ - 1 +* *2]" 1
1106 1 58 GLU QG 1 59 TYR H . . 4.340 4.117 3.852 4.427 0.087 5 0 "[ . 1 . 2]" 1
1107 1 59 TYR H 1 59 TYR QD . . 3.380 3.259 2.942 3.443 0.063 1 0 "[ . 1 . 2]" 1
1108 1 59 TYR H 1 59 TYR QE . . 4.530 4.522 4.279 4.609 0.079 3 0 "[ . 1 . 2]" 1
1109 1 59 TYR H 1 60 GLY H . . 5.040 4.307 4.227 4.396 . 0 0 "[ . 1 . 2]" 1
1110 1 59 TYR HA 1 59 TYR QD . . 3.740 3.780 3.751 3.800 0.060 5 0 "[ . 1 . 2]" 1
1111 1 59 TYR HA 1 60 GLY H . . 2.970 2.461 2.319 2.623 . 0 0 "[ . 1 . 2]" 1
1112 1 59 TYR HA 1 76 TYR HB3 . . 3.410 3.265 2.431 3.480 0.070 3 0 "[ . 1 . 2]" 1
1113 1 59 TYR HA 1 76 TYR QD . . 5.040 4.892 4.157 5.126 0.086 5 0 "[ . 1 . 2]" 1
1114 1 59 TYR HB2 1 60 GLY H . . 3.600 2.469 2.148 2.749 . 0 0 "[ . 1 . 2]" 1
1115 1 59 TYR HB2 1 74 PHE HB2 . . 5.500 4.032 3.548 4.433 . 0 0 "[ . 1 . 2]" 1
1116 1 59 TYR HB2 1 76 TYR HB3 . . 4.600 3.412 3.183 3.563 . 0 0 "[ . 1 . 2]" 1
1117 1 59 TYR HB2 1 76 TYR QD . . 4.030 3.816 3.215 4.116 0.086 1 0 "[ . 1 . 2]" 1
1118 1 59 TYR HB3 1 60 GLY H . . 4.130 3.753 3.577 3.953 . 0 0 "[ . 1 . 2]" 1
1119 1 59 TYR HB3 1 76 TYR HB2 . . 4.630 3.791 3.574 4.081 . 0 0 "[ . 1 . 2]" 1
1120 1 59 TYR HB3 1 76 TYR HB3 . . 3.890 2.286 2.100 2.544 . 0 0 "[ . 1 . 2]" 1
1121 1 59 TYR HB3 1 76 TYR QD . . 3.710 3.356 2.776 3.777 0.067 19 0 "[ . 1 . 2]" 1
1122 1 59 TYR QD 1 60 GLY H . . 3.730 3.445 3.013 3.805 0.075 14 0 "[ . 1 . 2]" 1
1123 1 59 TYR QD 1 74 PHE HA . . 4.310 3.985 3.685 4.367 0.057 11 0 "[ . 1 . 2]" 1
1124 1 59 TYR QD 1 74 PHE HB2 . . 5.120 4.141 3.623 4.579 . 0 0 "[ . 1 . 2]" 1
1125 1 59 TYR QD 1 74 PHE HB3 . . 4.470 2.600 2.213 3.201 . 0 0 "[ . 1 . 2]" 1
1126 1 59 TYR QD 1 74 PHE QD . . 3.480 2.485 2.227 3.159 . 0 0 "[ . 1 . 2]" 1
1127 1 59 TYR QD 1 75 TYR H . . 4.890 4.088 3.723 4.433 . 0 0 "[ . 1 . 2]" 1
1128 1 59 TYR QE 1 74 PHE HB3 . . 4.330 3.907 3.482 4.403 0.073 11 0 "[ . 1 . 2]" 1
1129 1 59 TYR QE 1 74 PHE QD . . 2.980 2.737 2.348 3.095 0.115 17 0 "[ . 1 . 2]" 1
1130 1 59 TYR QE 1 74 PHE QE . . 3.050 2.978 2.463 3.161 0.111 14 0 "[ . 1 . 2]" 1
1131 1 60 GLY H 1 74 PHE HA . . 5.490 4.413 4.182 4.704 . 0 0 "[ . 1 . 2]" 1
1132 1 60 GLY H 1 75 TYR H . . 3.860 2.894 2.575 3.103 . 0 0 "[ . 1 . 2]" 1
1133 1 60 GLY H 1 76 TYR HA . . 4.860 4.690 4.103 4.941 0.081 7 0 "[ . 1 . 2]" 1
1134 1 60 GLY H 1 76 TYR HB3 . . 4.930 4.831 4.083 5.005 0.075 7 0 "[ . 1 . 2]" 1
1135 1 60 GLY HA2 1 61 THR H . . 3.250 2.480 2.358 2.708 . 0 0 "[ . 1 . 2]" 1
1136 1 60 GLY HA3 1 75 TYR H . . 5.410 4.567 3.701 5.296 . 0 0 "[ . 1 . 2]" 1
1137 1 61 THR H 1 61 THR HB . . 3.510 2.662 2.420 2.900 . 0 0 "[ . 1 . 2]" 1
1138 1 61 THR H 1 62 ILE H . . 5.500 4.437 4.286 4.564 . 0 0 "[ . 1 . 2]" 1
1139 1 61 THR H 1 74 PHE HA . . 5.500 5.154 4.874 5.495 . 0 0 "[ . 1 . 2]" 1
1140 1 61 THR HA 1 61 THR MG . . 3.160 2.318 2.164 2.519 . 0 0 "[ . 1 . 2]" 1
1141 1 61 THR HA 1 62 ILE H . . 2.890 2.220 2.135 2.308 . 0 0 "[ . 1 . 2]" 1
1142 1 61 THR HA 1 62 ILE MD . . 5.010 3.055 2.432 5.000 . 0 0 "[ . 1 . 2]" 1
1143 1 61 THR HA 1 62 ILE HG13 . . 4.470 4.365 4.062 4.537 0.067 9 0 "[ . 1 . 2]" 1
1144 1 61 THR HA 1 74 PHE HA . . 3.360 3.016 2.459 3.426 0.066 20 0 "[ . 1 . 2]" 1
1145 1 61 THR HA 1 74 PHE HB3 . . 4.620 4.170 3.862 4.516 . 0 0 "[ . 1 . 2]" 1
1146 1 61 THR HA 1 74 PHE QD . . 3.660 2.436 2.078 2.739 . 0 0 "[ . 1 . 2]" 1
1147 1 61 THR HA 1 74 PHE QE . . 4.280 3.683 3.217 4.061 . 0 0 "[ . 1 . 2]" 1
1148 1 61 THR HB 1 63 ASN QD . . 5.500 4.015 2.553 4.937 . 0 0 "[ . 1 . 2]" 1
1149 1 61 THR MG 1 62 ILE H . . 3.850 2.766 2.442 3.280 . 0 0 "[ . 1 . 2]" 1
1150 1 61 THR MG 1 63 ASN H . . 5.500 4.525 4.109 5.340 . 0 0 "[ . 1 . 2]" 1
1151 1 61 THR MG 1 63 ASN QD . . 3.560 2.689 2.280 3.133 . 0 0 "[ . 1 . 2]" 1
1152 1 61 THR MG 1 72 THR MG . . 3.300 2.950 2.000 3.450 0.150 15 0 "[ . 1 . 2]" 1
1153 1 61 THR MG 1 73 MET H . . 4.770 4.070 3.392 4.719 . 0 0 "[ . 1 . 2]" 1
1154 1 61 THR MG 1 74 PHE HA . . 4.670 4.473 3.917 4.784 0.114 10 0 "[ . 1 . 2]" 1
1155 1 61 THR MG 1 74 PHE QD . . 3.710 2.982 2.388 3.346 . 0 0 "[ . 1 . 2]" 1
1156 1 61 THR MG 1 74 PHE QE . . 3.250 2.290 2.086 2.551 . 0 0 "[ . 1 . 2]" 1
1157 1 62 ILE H 1 62 ILE HB . . 3.290 2.638 2.506 2.747 . 0 0 "[ . 1 . 2]" 1
1158 1 62 ILE H 1 62 ILE MD . . 4.580 2.455 2.151 3.740 . 0 0 "[ . 1 . 2]" 1
1159 1 62 ILE H 1 62 ILE HG12 . . 4.710 4.307 4.151 4.536 . 0 0 "[ . 1 . 2]" 1
1160 1 62 ILE H 1 62 ILE HG13 . . 4.060 3.396 2.968 3.680 . 0 0 "[ . 1 . 2]" 1
1161 1 62 ILE H 1 62 ILE MG . . 4.470 3.868 3.798 3.930 . 0 0 "[ . 1 . 2]" 1
1162 1 62 ILE H 1 73 MET H . . 3.850 3.085 2.794 3.315 . 0 0 "[ . 1 . 2]" 1
1163 1 62 ILE H 1 74 PHE HA . . 3.910 3.370 3.053 3.529 . 0 0 "[ . 1 . 2]" 1
1164 1 62 ILE H 1 74 PHE QD . . 4.730 3.983 2.938 4.400 . 0 0 "[ . 1 . 2]" 1
1165 1 62 ILE H 1 75 TYR H . . 5.480 5.454 5.207 5.553 0.073 3 0 "[ . 1 . 2]" 1
1166 1 62 ILE HA 1 62 ILE HG12 . . 3.970 3.509 2.857 3.678 . 0 0 "[ . 1 . 2]" 1
1167 1 62 ILE HA 1 62 ILE HG13 . . 3.600 2.576 2.420 3.021 . 0 0 "[ . 1 . 2]" 1
1168 1 62 ILE HA 1 62 ILE MG . . 3.340 2.361 2.216 2.462 . 0 0 "[ . 1 . 2]" 1
1169 1 62 ILE HA 1 63 ASN H . . 2.820 2.187 2.078 2.272 . 0 0 "[ . 1 . 2]" 1
1170 1 62 ILE HB 1 62 ILE MD . . 3.700 2.218 2.154 2.315 . 0 0 "[ . 1 . 2]" 1
1171 1 62 ILE HB 1 63 ASN H . . 5.040 4.157 4.002 4.354 . 0 0 "[ . 1 . 2]" 1
1172 1 62 ILE HB 1 73 MET H . . 3.900 3.241 2.749 3.801 . 0 0 "[ . 1 . 2]" 1
1173 1 62 ILE HB 1 73 MET HG2 . . 4.110 2.450 2.057 2.985 . 0 0 "[ . 1 . 2]" 1
1174 1 62 ILE HB 1 73 MET HG3 . . 4.110 2.371 2.099 3.622 . 0 0 "[ . 1 . 2]" 1
1175 1 62 ILE HB 1 74 PHE HA . . 4.840 4.379 4.093 4.887 0.047 2 0 "[ . 1 . 2]" 1
1176 1 62 ILE MD 1 62 ILE MG . . 3.060 3.009 2.141 3.161 0.101 19 0 "[ . 1 . 2]" 1
1177 1 62 ILE MD 1 73 MET H . . 5.310 4.045 3.804 4.501 . 0 0 "[ . 1 . 2]" 1
1178 1 62 ILE MD 1 73 MET HB2 . . 5.030 3.678 3.379 4.188 . 0 0 "[ . 1 . 2]" 1
1179 1 62 ILE MD 1 73 MET HB3 . . 4.530 4.722 4.566 5.122 0.592 20 4 "[ . -1* . *+]" 1
1180 1 62 ILE MD 1 73 MET ME . . 4.780 4.614 4.082 4.894 0.114 15 0 "[ . 1 . 2]" 1
1181 1 62 ILE MD 1 73 MET HG2 . . 3.940 3.464 2.181 4.002 0.062 19 0 "[ . 1 . 2]" 1
1182 1 62 ILE MD 1 74 PHE HA . . 4.910 2.378 2.008 4.113 . 0 0 "[ . 1 . 2]" 1
1183 1 62 ILE MD 1 75 TYR H . . 5.500 3.093 2.488 4.961 . 0 0 "[ . 1 . 2]" 1
1184 1 62 ILE MD 1 75 TYR HB2 . . 5.220 3.795 2.892 4.694 . 0 0 "[ . 1 . 2]" 1
1185 1 62 ILE MD 1 75 TYR HB3 . . 4.060 3.939 2.470 4.690 0.630 12 1 "[ . 1 + . 2]" 1
1186 1 62 ILE MD 1 98 PHE QD . . 4.810 4.665 3.670 4.912 0.102 6 0 "[ . 1 . 2]" 1
1187 1 62 ILE HG12 1 63 ASN H . . 5.320 5.221 4.640 5.397 0.077 11 0 "[ . 1 . 2]" 1
1188 1 62 ILE HG12 1 98 PHE QE . . 4.770 3.767 2.626 4.198 . 0 0 "[ . 1 . 2]" 1
1189 1 62 ILE HG13 1 74 PHE HA . . 5.370 4.712 4.193 4.997 . 0 0 "[ . 1 . 2]" 1
1190 1 62 ILE HG13 1 98 PHE QE . . 4.760 4.531 3.195 4.845 0.085 10 0 "[ . 1 . 2]" 1
1191 1 62 ILE MG 1 63 ASN H . . 3.650 2.727 2.339 3.165 . 0 0 "[ . 1 . 2]" 1
1192 1 62 ILE MG 1 63 ASN HA . . 4.880 3.660 3.313 4.170 . 0 0 "[ . 1 . 2]" 1
1193 1 62 ILE MG 1 73 MET HG2 . . 4.640 3.085 2.677 3.712 . 0 0 "[ . 1 . 2]" 1
1194 1 62 ILE MG 1 73 MET HG3 . . 4.560 3.192 2.667 4.167 . 0 0 "[ . 1 . 2]" 1
1195 1 62 ILE MG 1 98 PHE QE . . 4.820 4.278 3.695 4.855 0.035 15 0 "[ . 1 . 2]" 1
1196 1 63 ASN H 1 63 ASN HB2 . . 3.530 2.767 2.494 3.318 . 0 0 "[ . 1 . 2]" 1
1197 1 63 ASN H 1 63 ASN HB3 . . 3.730 3.769 3.628 3.813 0.083 18 0 "[ . 1 . 2]" 1
1198 1 63 ASN H 1 63 ASN QD . . 4.700 3.251 2.448 4.265 . 0 0 "[ . 1 . 2]" 1
1199 1 63 ASN H 1 64 ILE HG13 . . 4.840 4.618 4.055 4.899 0.059 20 0 "[ . 1 . 2]" 1
1200 1 63 ASN HA 1 64 ILE H . . 2.790 2.248 2.165 2.311 . 0 0 "[ . 1 . 2]" 1
1201 1 63 ASN HA 1 64 ILE HA . . 4.790 4.510 4.436 4.555 . 0 0 "[ . 1 . 2]" 1
1202 1 63 ASN HA 1 64 ILE HB . . 4.830 4.765 4.527 4.897 0.067 13 0 "[ . 1 . 2]" 1
1203 1 63 ASN HA 1 64 ILE MD . . 5.500 5.216 4.386 5.562 0.062 1 0 "[ . 1 . 2]" 1
1204 1 63 ASN HA 1 64 ILE HG13 . . 4.750 3.981 3.560 4.407 . 0 0 "[ . 1 . 2]" 1
1205 1 63 ASN HA 1 72 THR HA . . 3.170 2.670 2.313 2.955 . 0 0 "[ . 1 . 2]" 1
1206 1 63 ASN HA 1 72 THR MG . . 4.520 3.909 3.225 4.599 0.079 11 0 "[ . 1 . 2]" 1
1207 1 63 ASN HB2 1 64 ILE H . . 5.260 4.116 3.407 4.405 . 0 0 "[ . 1 . 2]" 1
1208 1 63 ASN HB2 1 70 MET QB . . 4.640 4.522 3.640 4.745 0.105 20 0 "[ . 1 . 2]" 1
1209 1 63 ASN HB3 1 64 ILE H . . 4.480 3.311 2.812 3.895 . 0 0 "[ . 1 . 2]" 1
1210 1 63 ASN HB3 1 70 MET QB . . 4.430 3.088 2.582 3.447 . 0 0 "[ . 1 . 2]" 1
1211 1 63 ASN QD 1 72 THR MG . . 4.960 3.674 2.523 4.474 . 0 0 "[ . 1 . 2]" 1
1212 1 64 ILE H 1 64 ILE HB . . 3.410 2.664 2.500 2.857 . 0 0 "[ . 1 . 2]" 1
1213 1 64 ILE H 1 64 ILE MD . . 4.170 3.990 3.660 4.262 0.092 6 0 "[ . 1 . 2]" 1
1214 1 64 ILE H 1 64 ILE HG12 . . 4.490 3.927 3.632 4.272 . 0 0 "[ . 1 . 2]" 1
1215 1 64 ILE H 1 64 ILE HG13 . . 3.710 2.796 2.387 3.040 . 0 0 "[ . 1 . 2]" 1
1216 1 64 ILE H 1 64 ILE MG . . 4.420 3.880 3.814 3.957 . 0 0 "[ . 1 . 2]" 1
1217 1 64 ILE H 1 65 GLU H . . 4.570 3.977 3.694 4.354 . 0 0 "[ . 1 . 2]" 1
1218 1 64 ILE H 1 66 ASN QD . . 5.500 4.436 4.306 4.679 . 0 0 "[ . 1 . 2]" 1
1219 1 64 ILE H 1 70 MET HG3 . . 5.300 4.982 4.426 5.376 0.076 20 0 "[ . 1 . 2]" 1
1220 1 64 ILE H 1 71 THR H . . 4.000 2.810 2.241 3.368 . 0 0 "[ . 1 . 2]" 1
1221 1 64 ILE H 1 71 THR HA . . 5.500 4.796 4.544 5.249 . 0 0 "[ . 1 . 2]" 1
1222 1 64 ILE H 1 71 THR HB . . 4.240 3.580 3.040 4.301 0.061 13 0 "[ . 1 . 2]" 1
1223 1 64 ILE H 1 71 THR MG . . 4.780 4.048 2.099 4.843 0.063 7 0 "[ . 1 . 2]" 1
1224 1 64 ILE H 1 72 THR HA . . 4.550 3.945 3.533 4.481 . 0 0 "[ . 1 . 2]" 1
1225 1 64 ILE HA 1 64 ILE MD . . 4.480 3.933 3.807 4.019 . 0 0 "[ . 1 . 2]" 1
1226 1 64 ILE HA 1 64 ILE HG12 . . 3.930 2.690 2.506 2.877 . 0 0 "[ . 1 . 2]" 1
1227 1 64 ILE HA 1 64 ILE HG13 . . 3.910 3.149 2.827 3.284 . 0 0 "[ . 1 . 2]" 1
1228 1 64 ILE HA 1 64 ILE MG . . 3.300 2.398 2.277 2.476 . 0 0 "[ . 1 . 2]" 1
1229 1 64 ILE HA 1 65 GLU H . . 2.870 2.262 2.168 2.422 . 0 0 "[ . 1 . 2]" 1
1230 1 64 ILE HA 1 65 GLU HB2 . . 4.860 4.750 4.510 4.938 0.078 9 0 "[ . 1 . 2]" 1
1231 1 64 ILE HA 1 65 GLU HB3 . . 4.740 4.664 4.378 4.811 0.071 17 0 "[ . 1 . 2]" 1
1232 1 64 ILE HB 1 64 ILE MD . . 3.510 2.387 2.271 2.500 . 0 0 "[ . 1 . 2]" 1
1233 1 64 ILE HB 1 65 GLU H . . 4.840 4.474 4.243 4.583 . 0 0 "[ . 1 . 2]" 1
1234 1 64 ILE HB 1 66 ASN QD . . 4.590 2.946 2.640 3.125 . 0 0 "[ . 1 . 2]" 1
1235 1 64 ILE HB 1 71 THR H . . 3.610 2.940 2.613 3.378 . 0 0 "[ . 1 . 2]" 1
1236 1 64 ILE HB 1 71 THR HB . . 3.020 2.415 2.008 3.106 0.086 3 0 "[ . 1 . 2]" 1
1237 1 64 ILE HB 1 71 THR MG . . 4.240 3.564 1.985 4.298 0.058 20 0 "[ . 1 . 2]" 1
1238 1 64 ILE MD 1 71 THR HB . . 3.980 2.876 2.187 3.971 . 0 0 "[ . 1 . 2]" 1
1239 1 64 ILE MD 1 71 THR MG . . 3.550 2.873 2.177 3.660 0.110 20 0 "[ . 1 . 2]" 1
1240 1 64 ILE HG12 1 65 GLU H . . 5.390 4.922 4.673 5.264 . 0 0 "[ . 1 . 2]" 1
1241 1 64 ILE HG13 1 64 ILE MG . . 3.430 3.236 3.169 3.278 . 0 0 "[ . 1 . 2]" 1
1242 1 64 ILE HG13 1 66 ASN QD . . 5.500 5.175 4.849 5.342 . 0 0 "[ . 1 . 2]" 1
1243 1 64 ILE HG13 1 71 THR HB . . 5.410 3.771 3.003 4.653 . 0 0 "[ . 1 . 2]" 1
1244 1 64 ILE MG 1 65 GLU H . . 3.770 3.366 2.890 3.803 0.033 12 0 "[ . 1 . 2]" 1
1245 1 64 ILE MG 1 65 GLU QG . . 5.500 5.327 4.921 5.583 0.083 6 0 "[ . 1 . 2]" 1
1246 1 64 ILE MG 1 66 ASN HB3 . . 3.900 2.647 2.208 4.004 0.104 10 0 "[ . 1 . 2]" 1
1247 1 64 ILE MG 1 66 ASN QD . . 4.120 2.353 1.796 2.825 . 0 0 "[ . 1 . 2]" 1
1248 1 64 ILE MG 1 71 THR HB . . 4.310 3.810 3.321 4.357 0.047 6 0 "[ . 1 . 2]" 1
1249 1 65 GLU H 1 65 GLU HB2 . . 3.400 2.611 2.416 2.867 . 0 0 "[ . 1 . 2]" 1
1250 1 65 GLU H 1 65 GLU HB3 . . 3.360 2.478 2.367 2.615 . 0 0 "[ . 1 . 2]" 1
1251 1 65 GLU HA 1 65 GLU QG . . 3.140 2.402 2.219 2.871 . 0 0 "[ . 1 . 2]" 1
1252 1 65 GLU HA 1 66 ASN H . . 2.690 2.200 2.092 2.277 . 0 0 "[ . 1 . 2]" 1
1253 1 65 GLU HA 1 66 ASN QD . . 4.750 3.729 3.247 4.149 . 0 0 "[ . 1 . 2]" 1
1254 1 65 GLU HA 1 69 GLY H . . 5.170 4.664 3.955 5.208 0.038 15 0 "[ . 1 . 2]" 1
1255 1 65 GLU HA 1 70 MET H . . 5.500 4.885 4.416 5.471 . 0 0 "[ . 1 . 2]" 1
1256 1 65 GLU HA 1 70 MET HA . . 3.300 2.721 2.391 3.054 . 0 0 "[ . 1 . 2]" 1
1257 1 65 GLU HA 1 71 THR H . . 4.460 4.198 3.746 4.518 0.058 20 0 "[ . 1 . 2]" 1
1258 1 65 GLU QG 1 66 ASN H . . 3.810 2.868 2.309 3.474 . 0 0 "[ . 1 . 2]" 1
1259 1 65 GLU QG 1 68 GLY H . . 5.120 3.961 2.669 5.211 0.091 17 0 "[ . 1 . 2]" 1
1260 1 65 GLU QG 1 69 GLY H . . 5.080 4.162 3.318 5.145 0.065 20 0 "[ . 1 . 2]" 1
1261 1 66 ASN H 1 66 ASN QD . . 3.780 2.957 2.656 3.575 . 0 0 "[ . 1 . 2]" 1
1262 1 66 ASN H 1 67 ASN H . . 5.330 4.120 3.866 4.303 . 0 0 "[ . 1 . 2]" 1
1263 1 66 ASN H 1 69 GLY H . . 4.000 3.110 2.743 3.376 . 0 0 "[ . 1 . 2]" 1
1264 1 66 ASN H 1 69 GLY HA2 . . 5.500 4.774 3.604 5.050 . 0 0 "[ . 1 . 2]" 1
1265 1 66 ASN H 1 70 MET HA . . 3.740 3.122 2.789 3.753 0.013 20 0 "[ . 1 . 2]" 1
1266 1 66 ASN HA 1 67 ASN H . . 2.810 2.340 2.066 2.888 0.078 2 0 "[ . 1 . 2]" 1
1267 1 66 ASN HA 1 67 ASN HA . . 4.650 4.297 4.075 4.489 . 0 0 "[ . 1 . 2]" 1
1268 1 66 ASN HA 1 67 ASN HD21 . . 5.500 4.248 3.463 4.991 . 0 0 "[ . 1 . 2]" 1
1269 1 66 ASN HA 1 68 GLY H . . 4.720 3.955 3.321 4.707 . 0 0 "[ . 1 . 2]" 1
1270 1 66 ASN HB2 1 67 ASN H . . 3.880 2.841 1.864 3.586 . 0 0 "[ . 1 . 2]" 1
1271 1 66 ASN HB2 1 67 ASN HD21 . . 4.910 2.619 2.079 3.079 . 0 0 "[ . 1 . 2]" 1
1272 1 66 ASN HB3 1 67 ASN HD21 . . 5.200 4.165 3.676 4.630 . 0 0 "[ . 1 . 2]" 1
1273 1 66 ASN QD 1 67 ASN HD21 . . 5.500 4.358 3.332 5.154 . 0 0 "[ . 1 . 2]" 1
1274 1 66 ASN QD 1 70 MET HA . . 4.650 2.957 2.469 3.680 . 0 0 "[ . 1 . 2]" 1
1275 1 66 ASN QD 1 71 THR H . . 4.330 2.909 2.455 3.357 . 0 0 "[ . 1 . 2]" 1
1276 1 66 ASN QD 1 71 THR HB . . 4.060 3.394 2.897 3.726 . 0 0 "[ . 1 . 2]" 1
1277 1 66 ASN QD 1 71 THR MG . . 4.930 4.235 3.641 4.653 . 0 0 "[ . 1 . 2]" 1
1278 1 67 ASN H 1 67 ASN HA . . 2.660 2.364 2.134 2.736 0.076 15 0 "[ . 1 . 2]" 1
1279 1 67 ASN H 1 67 ASN HB2 . . 3.790 3.443 2.445 3.783 . 0 0 "[ . 1 . 2]" 1
1280 1 67 ASN H 1 67 ASN HB3 . . 4.180 3.806 2.674 4.066 . 0 0 "[ . 1 . 2]" 1
1281 1 67 ASN H 1 67 ASN HD21 . . 5.030 3.124 1.668 3.794 . 0 0 "[ . 1 . 2]" 1
1282 1 67 ASN H 1 67 ASN HD22 . . 5.500 3.682 2.854 4.273 . 0 0 "[ . 1 . 2]" 1
1283 1 67 ASN H 1 68 GLY H . . 3.690 3.026 2.679 3.778 0.088 15 0 "[ . 1 . 2]" 1
1284 1 67 ASN H 1 68 GLY HA2 . . 5.500 5.312 4.915 5.903 0.403 15 0 "[ . 1 . 2]" 1
1285 1 67 ASN H 1 69 GLY H . . 5.190 4.288 3.528 4.576 . 0 0 "[ . 1 . 2]" 1
1286 1 67 ASN HA 1 68 GLY H . . 3.540 3.031 2.245 3.525 . 0 0 "[ . 1 . 2]" 1
1287 1 67 ASN HA 1 68 GLY HA2 . . 4.860 4.822 4.394 4.948 0.088 8 0 "[ . 1 . 2]" 1
1288 1 67 ASN HB2 1 67 ASN HD21 . . 3.570 2.437 2.256 3.620 0.050 15 0 "[ . 1 . 2]" 1
1289 1 67 ASN HB2 1 68 GLY H . . 4.980 3.942 2.651 4.424 . 0 0 "[ . 1 . 2]" 1
1290 1 67 ASN HB2 1 69 GLY H . . 4.840 3.957 2.962 4.913 0.073 15 0 "[ . 1 . 2]" 1
1291 1 67 ASN HB3 1 68 GLY H . . 5.010 4.390 3.637 4.605 . 0 0 "[ . 1 . 2]" 1
1292 1 67 ASN HB3 1 69 GLY H . . 5.180 4.973 4.083 5.271 0.091 20 0 "[ . 1 . 2]" 1
1293 1 68 GLY H 1 69 GLY H . . 3.350 2.447 1.615 2.995 . 0 0 "[ . 1 . 2]" 1
1294 1 69 GLY H 1 70 MET H . . 4.820 4.390 4.274 4.538 . 0 0 "[ . 1 . 2]" 1
1295 1 69 GLY HA2 1 70 MET H . . 3.110 2.600 2.250 3.215 0.105 9 0 "[ . 1 . 2]" 1
1296 1 69 GLY HA2 1 70 MET QB . . 4.800 4.332 4.034 4.842 0.042 9 0 "[ . 1 . 2]" 1
1297 1 69 GLY HA3 1 70 MET H . . 3.220 2.657 2.261 2.913 . 0 0 "[ . 1 . 2]" 1
1298 1 69 GLY HA3 1 70 MET QB . . 4.930 4.863 4.453 5.007 0.077 3 0 "[ . 1 . 2]" 1
1299 1 70 MET H 1 70 MET QB . . 3.440 3.028 2.363 3.344 . 0 0 "[ . 1 . 2]" 1
1300 1 70 MET H 1 70 MET HG2 . . 4.780 3.165 2.034 4.550 . 0 0 "[ . 1 . 2]" 1
1301 1 70 MET H 1 70 MET HG3 . . 4.380 3.795 3.025 4.351 . 0 0 "[ . 1 . 2]" 1
1302 1 70 MET H 1 71 THR H . . 5.350 4.261 4.022 4.436 . 0 0 "[ . 1 . 2]" 1
1303 1 70 MET HA 1 70 MET HG2 . . 4.080 3.413 2.240 3.806 . 0 0 "[ . 1 . 2]" 1
1304 1 70 MET HA 1 70 MET HG3 . . 4.220 3.678 2.555 4.272 0.052 4 0 "[ . 1 . 2]" 1
1305 1 70 MET HA 1 71 THR H . . 2.760 2.168 2.017 2.414 . 0 0 "[ . 1 . 2]" 1
1306 1 70 MET HA 1 71 THR HB . . 4.510 4.504 4.116 4.594 0.084 1 0 "[ . 1 . 2]" 1
1307 1 70 MET QB 1 71 THR HA . . 4.670 4.463 4.223 4.757 0.087 15 0 "[ . 1 . 2]" 1
1308 1 70 MET HB2 1 72 THR H . . 5.500 5.019 4.346 5.588 0.088 9 0 "[ . 1 . 2]" 1
1309 1 70 MET HG2 1 71 THR H . . 4.490 4.300 3.532 4.565 0.075 11 0 "[ . 1 . 2]" 1
1310 1 70 MET HG3 1 71 THR H . . 4.730 4.364 3.474 4.810 0.080 3 0 "[ . 1 . 2]" 1
1311 1 71 THR H 1 71 THR HB . . 3.340 2.550 2.347 2.789 . 0 0 "[ . 1 . 2]" 1
1312 1 71 THR H 1 71 THR MG . . 4.420 3.620 2.392 3.946 . 0 0 "[ . 1 . 2]" 1
1313 1 71 THR HA 1 71 THR MG . . 3.210 2.549 2.307 3.236 0.026 6 0 "[ . 1 . 2]" 1
1314 1 71 THR HA 1 72 THR H . . 2.670 2.243 2.119 2.490 . 0 0 "[ . 1 . 2]" 1
1315 1 71 THR HA 1 72 THR HA . . 5.050 4.505 4.365 4.598 . 0 0 "[ . 1 . 2]" 1
1316 1 71 THR HA 1 72 THR HB . . 4.620 4.634 4.276 4.697 0.077 4 0 "[ . 1 . 2]" 1
1317 1 71 THR HB 1 72 THR H . . 4.940 4.388 4.015 4.603 . 0 0 "[ . 1 . 2]" 1
1318 1 71 THR HB 1 73 MET ME . . 4.500 4.307 3.333 4.600 0.100 20 0 "[ . 1 . 2]" 1
1319 1 71 THR MG 1 72 THR H . . 3.560 3.224 2.761 3.646 0.086 20 0 "[ . 1 . 2]" 1
1320 1 71 THR MG 1 72 THR HA . . 4.730 4.059 3.012 4.715 . 0 0 "[ . 1 . 2]" 1
1321 1 71 THR MG 1 73 MET ME . . 3.240 2.473 1.999 3.032 . 0 0 "[ . 1 . 2]" 1
1322 1 72 THR H 1 72 THR HB . . 3.110 2.543 2.187 2.893 . 0 0 "[ . 1 . 2]" 1
1323 1 72 THR H 1 72 THR MG . . 4.620 3.803 3.658 3.961 . 0 0 "[ . 1 . 2]" 1
1324 1 72 THR H 1 73 MET H . . 5.180 4.510 4.216 4.634 . 0 0 "[ . 1 . 2]" 1
1325 1 72 THR HA 1 72 THR MG . . 3.320 2.383 2.282 2.585 . 0 0 "[ . 1 . 2]" 1
1326 1 72 THR HA 1 73 MET H . . 2.790 2.293 2.197 2.368 . 0 0 "[ . 1 . 2]" 1
1327 1 72 THR HB 1 73 MET H . . 4.730 3.986 3.642 4.378 . 0 0 "[ . 1 . 2]" 1
1328 1 72 THR MG 1 73 MET H . . 3.370 2.514 2.252 3.102 . 0 0 "[ . 1 . 2]" 1
1329 1 72 THR MG 1 73 MET HA . . 4.490 3.475 3.192 3.641 . 0 0 "[ . 1 . 2]" 1
1330 1 72 THR MG 1 73 MET HG3 . . 5.500 5.504 4.950 6.191 0.691 3 1 "[ + . 1 . 2]" 1
1331 1 72 THR MG 1 74 PHE H . . 5.500 5.030 4.635 5.259 . 0 0 "[ . 1 . 2]" 1
1332 1 72 THR MG 1 74 PHE QD . . 3.930 3.973 3.530 4.057 0.127 7 0 "[ . 1 . 2]" 1
1333 1 72 THR MG 1 74 PHE QE . . 3.680 3.072 2.759 3.572 . 0 0 "[ . 1 . 2]" 1
1334 1 73 MET H 1 73 MET HB3 . . 3.910 3.596 3.477 3.753 . 0 0 "[ . 1 . 2]" 1
1335 1 73 MET H 1 73 MET ME . . 4.970 4.660 3.892 5.051 0.081 14 0 "[ . 1 . 2]" 1
1336 1 73 MET H 1 73 MET HG3 . . 4.260 3.589 3.152 4.387 0.127 3 0 "[ . 1 . 2]" 1
1337 1 73 MET H 1 74 PHE H . . 4.510 4.316 4.253 4.382 . 0 0 "[ . 1 . 2]" 1
1338 1 73 MET H 1 74 PHE HA . . 5.500 4.666 4.492 4.783 . 0 0 "[ . 1 . 2]" 1
1339 1 73 MET HA 1 73 MET HG3 . . 3.970 3.954 3.726 4.276 0.306 17 0 "[ . 1 . 2]" 1
1340 1 73 MET HA 1 74 PHE H . . 3.050 2.514 2.405 2.607 . 0 0 "[ . 1 . 2]" 1
1341 1 73 MET HA 1 74 PHE QD . . 4.970 3.465 3.017 4.437 . 0 0 "[ . 1 . 2]" 1
1342 1 73 MET HA 1 85 GLU H . . 5.280 5.163 4.786 5.340 0.060 14 0 "[ . 1 . 2]" 1
1343 1 73 MET HA 1 86 CYS HA . . 4.090 4.151 3.895 4.174 0.084 18 0 "[ . 1 . 2]" 1
1344 1 73 MET HB2 1 74 PHE H . . 3.630 2.363 2.156 2.553 . 0 0 "[ . 1 . 2]" 1
1345 1 73 MET HB2 1 86 CYS HA . . 4.530 4.465 4.071 4.606 0.076 10 0 "[ . 1 . 2]" 1
1346 1 73 MET HB3 1 74 PHE H . . 3.880 3.662 3.534 3.801 . 0 0 "[ . 1 . 2]" 1
1347 1 73 MET HB3 1 86 CYS HA . . 4.520 3.859 3.159 4.160 . 0 0 "[ . 1 . 2]" 1
1348 1 73 MET ME 1 73 MET HG2 . . 3.400 2.966 2.276 3.456 0.056 20 0 "[ . 1 . 2]" 1
1349 1 73 MET ME 1 73 MET HG3 . . 3.250 3.057 2.222 3.452 0.202 2 0 "[ . 1 . 2]" 1
1350 1 73 MET ME 1 86 CYS HA . . 4.510 4.246 3.880 4.598 0.088 15 0 "[ . 1 . 2]" 1
1351 1 74 PHE H 1 74 PHE HB2 . . 3.830 2.817 2.676 2.923 . 0 0 "[ . 1 . 2]" 1
1352 1 74 PHE H 1 74 PHE QD . . 4.060 3.134 2.926 3.639 . 0 0 "[ . 1 . 2]" 1
1353 1 74 PHE H 1 74 PHE QE . . 4.970 4.983 4.840 5.058 0.088 17 0 "[ . 1 . 2]" 1
1354 1 74 PHE H 1 85 GLU H . . 3.810 3.104 2.651 3.389 . 0 0 "[ . 1 . 2]" 1
1355 1 74 PHE HA 1 74 PHE QD . . 3.690 2.911 2.310 3.176 . 0 0 "[ . 1 . 2]" 1
1356 1 74 PHE HA 1 75 TYR H . . 3.090 2.492 2.376 2.716 . 0 0 "[ . 1 . 2]" 1
1357 1 74 PHE HB2 1 75 TYR H . . 4.370 3.729 3.136 4.155 . 0 0 "[ . 1 . 2]" 1
1358 1 74 PHE HB2 1 76 TYR QD . . 4.370 4.134 3.846 4.429 0.059 10 0 "[ . 1 . 2]" 1
1359 1 74 PHE HB2 1 85 GLU H . . 4.830 4.028 3.663 4.362 . 0 0 "[ . 1 . 2]" 1
1360 1 74 PHE HB2 1 85 GLU HB3 . . 4.120 2.873 2.203 3.820 . 0 0 "[ . 1 . 2]" 1
1361 1 74 PHE HB3 1 75 TYR H . . 3.680 2.888 2.264 3.351 . 0 0 "[ . 1 . 2]" 1
1362 1 74 PHE HB3 1 85 GLU H . . 5.500 5.226 4.898 5.443 . 0 0 "[ . 1 . 2]" 1
1363 1 74 PHE HB3 1 85 GLU HB3 . . 4.780 4.486 3.734 5.562 0.782 10 1 "[ . + . 2]" 1
1364 1 74 PHE QD 1 75 TYR H . . 4.770 4.405 4.126 4.613 . 0 0 "[ . 1 . 2]" 1
1365 1 74 PHE QD 1 85 GLU H . . 5.500 5.085 4.620 5.568 0.068 17 0 "[ . 1 . 2]" 1
1366 1 74 PHE QD 1 85 GLU HB2 . . 4.190 3.713 2.919 4.287 0.097 4 0 "[ . 1 . 2]" 1
1367 1 74 PHE QD 1 85 GLU QG . . 4.480 2.436 1.996 3.488 . 0 0 "[ . 1 . 2]" 1
1368 1 75 TYR H 1 76 TYR QD . . 4.880 4.281 3.918 4.838 . 0 0 "[ . 1 . 2]" 1
1369 1 75 TYR HA 1 76 TYR H . . 2.990 2.371 2.260 2.544 . 0 0 "[ . 1 . 2]" 1
1370 1 75 TYR HA 1 76 TYR QD . . 4.130 3.298 2.755 3.926 . 0 0 "[ . 1 . 2]" 1
1371 1 75 TYR HA 1 84 ILE HA . . 2.970 2.458 2.020 2.697 . 0 0 "[ . 1 . 2]" 1
1372 1 75 TYR HA 1 84 ILE MD . . 4.840 4.592 4.283 4.928 0.088 5 0 "[ . 1 . 2]" 1
1373 1 75 TYR HA 1 84 ILE HG13 . . 5.220 3.677 3.108 3.948 . 0 0 "[ . 1 . 2]" 1
1374 1 75 TYR HA 1 84 ILE MG . . 4.920 4.100 3.446 4.463 . 0 0 "[ . 1 . 2]" 1
1375 1 75 TYR HA 1 85 GLU H . . 4.170 3.057 2.678 3.331 . 0 0 "[ . 1 . 2]" 1
1376 1 75 TYR HB2 1 76 TYR H . . 3.590 3.285 2.622 3.757 0.167 9 0 "[ . 1 . 2]" 1
1377 1 75 TYR HB2 1 84 ILE HA . . 4.520 4.276 3.126 4.851 0.331 6 0 "[ . 1 . 2]" 1
1378 1 75 TYR HB2 1 84 ILE MD . . 4.750 4.576 3.921 4.721 . 0 0 "[ . 1 . 2]" 1
1379 1 75 TYR HB2 1 84 ILE HG12 . . 5.120 5.241 3.975 5.880 0.760 12 7 "[* * . *1 + - **2]" 1
1380 1 75 TYR HB2 1 84 ILE HG13 . . 4.440 3.748 2.517 4.237 . 0 0 "[ . 1 . 2]" 1
1381 1 75 TYR HB2 1 98 PHE H . . 5.500 5.395 4.915 5.915 0.415 19 0 "[ . 1 . 2]" 1
1382 1 75 TYR HB2 1 98 PHE HB2 . . 4.600 4.669 3.633 5.095 0.495 20 0 "[ . 1 . 2]" 1
1383 1 75 TYR HB2 1 98 PHE HB3 . . 4.720 4.007 3.723 4.345 . 0 0 "[ . 1 . 2]" 1
1384 1 75 TYR HB3 1 76 TYR H . . 4.130 3.194 2.652 4.189 0.059 4 0 "[ . 1 . 2]" 1
1385 1 75 TYR HB3 1 84 ILE HA . . 4.780 3.256 2.883 3.598 . 0 0 "[ . 1 . 2]" 1
1386 1 75 TYR HB3 1 84 ILE MD . . 4.620 3.721 3.259 4.700 0.080 11 0 "[ . 1 . 2]" 1
1387 1 75 TYR HB3 1 84 ILE HG13 . . 4.170 2.765 2.380 3.178 . 0 0 "[ . 1 . 2]" 1
1388 1 75 TYR HB3 1 84 ILE MG . . 5.500 4.136 2.949 4.749 . 0 0 "[ . 1 . 2]" 1
1389 1 75 TYR HB3 1 98 PHE HB3 . . 5.350 4.397 4.046 4.925 . 0 0 "[ . 1 . 2]" 1
1390 1 76 TYR H 1 76 TYR QD . . 4.170 3.132 2.706 3.488 . 0 0 "[ . 1 . 2]" 1
1391 1 76 TYR H 1 77 GLU H . . 5.470 4.380 4.302 4.445 . 0 0 "[ . 1 . 2]" 1
1392 1 76 TYR H 1 83 TYR H . . 3.900 2.924 2.685 3.181 . 0 0 "[ . 1 . 2]" 1
1393 1 76 TYR H 1 83 TYR HB2 . . 4.360 4.029 3.489 4.425 0.065 13 0 "[ . 1 . 2]" 1
1394 1 76 TYR H 1 84 ILE MD . . 5.500 4.796 4.327 5.469 . 0 0 "[ . 1 . 2]" 1
1395 1 76 TYR H 1 85 GLU H . . 5.470 4.998 4.602 5.281 . 0 0 "[ . 1 . 2]" 1
1396 1 76 TYR HA 1 76 TYR QD . . 3.650 3.741 3.730 3.751 0.101 5 0 "[ . 1 . 2]" 1
1397 1 76 TYR HA 1 77 GLU H . . 2.910 2.589 2.412 2.908 . 0 0 "[ . 1 . 2]" 1
1398 1 76 TYR HB2 1 77 GLU H . . 3.250 2.242 2.015 2.491 . 0 0 "[ . 1 . 2]" 1
1399 1 76 TYR HB3 1 77 GLU H . . 3.760 3.644 3.558 3.785 0.025 2 0 "[ . 1 . 2]" 1
1400 1 76 TYR QD 1 77 GLU H . . 3.700 3.169 2.411 3.639 . 0 0 "[ . 1 . 2]" 1
1401 1 76 TYR QD 1 78 GLU HG3 . . 4.840 4.957 4.376 5.677 0.837 6 2 "[- .+ 1 . 2]" 1
1402 1 77 GLU H 1 77 GLU HB2 . . 3.670 2.850 2.682 3.238 . 0 0 "[ . 1 . 2]" 1
1403 1 77 GLU H 1 77 GLU HB3 . . 3.280 2.633 2.481 2.800 . 0 0 "[ . 1 . 2]" 1
1404 1 77 GLU H 1 78 GLU HA . . 5.500 5.033 4.719 5.292 . 0 0 "[ . 1 . 2]" 1
1405 1 77 GLU HA 1 77 GLU HG2 . . 3.790 2.932 2.811 3.129 . 0 0 "[ . 1 . 2]" 1
1406 1 77 GLU HA 1 77 GLU HG3 . . 3.770 2.521 2.354 2.869 . 0 0 "[ . 1 . 2]" 1
1407 1 77 GLU HA 1 78 GLU H . . 2.850 2.252 2.091 2.308 . 0 0 "[ . 1 . 2]" 1
1408 1 77 GLU HA 1 80 GLY H . . 5.500 4.747 4.306 4.972 . 0 0 "[ . 1 . 2]" 1
1409 1 77 GLU HA 1 81 LYS H . . 5.010 4.766 4.261 5.079 0.069 17 0 "[ . 1 . 2]" 1
1410 1 77 GLU HA 1 82 TYR H . . 5.500 4.696 4.588 4.817 . 0 0 "[ . 1 . 2]" 1
1411 1 77 GLU HA 1 82 TYR HA . . 3.220 2.116 1.993 2.301 . 0 0 "[ . 1 . 2]" 1
1412 1 77 GLU HA 1 82 TYR QD . . 4.010 3.040 2.727 3.361 . 0 0 "[ . 1 . 2]" 1
1413 1 77 GLU HA 1 83 TYR H . . 4.160 3.513 3.286 3.891 . 0 0 "[ . 1 . 2]" 1
1414 1 77 GLU HA 1 83 TYR QD . . 3.930 3.558 3.249 3.990 0.060 15 0 "[ . 1 . 2]" 1
1415 1 77 GLU HA 1 83 TYR QE . . 4.550 4.606 4.452 4.645 0.095 13 0 "[ . 1 . 2]" 1
1416 1 77 GLU HB2 1 78 GLU H . . 4.610 4.269 4.196 4.401 . 0 0 "[ . 1 . 2]" 1
1417 1 77 GLU HB2 1 82 TYR QD . . 3.420 2.759 2.390 3.159 . 0 0 "[ . 1 . 2]" 1
1418 1 77 GLU HB2 1 82 TYR QE . . 2.640 2.471 2.177 2.706 0.066 12 0 "[ . 1 . 2]" 1
1419 1 77 GLU HB3 1 78 GLU H . . 4.690 3.990 3.772 4.281 . 0 0 "[ . 1 . 2]" 1
1420 1 77 GLU HB3 1 82 TYR QE . . 4.190 4.025 3.829 4.261 0.071 7 0 "[ . 1 . 2]" 1
1421 1 77 GLU HG2 1 78 GLU H . . 3.880 2.640 2.340 2.944 . 0 0 "[ . 1 . 2]" 1
1422 1 77 GLU HG2 1 80 GLY H . . 4.020 2.482 2.064 2.766 . 0 0 "[ . 1 . 2]" 1
1423 1 77 GLU HG2 1 80 GLY HA2 . . 4.740 3.206 2.622 3.577 . 0 0 "[ . 1 . 2]" 1
1424 1 77 GLU HG2 1 80 GLY HA3 . . 5.150 4.635 4.116 4.974 . 0 0 "[ . 1 . 2]" 1
1425 1 77 GLU HG2 1 81 LYS H . . 4.520 3.671 3.027 4.271 . 0 0 "[ . 1 . 2]" 1
1426 1 77 GLU HG3 1 78 GLU H . . 3.570 3.176 2.922 3.624 0.054 5 0 "[ . 1 . 2]" 1
1427 1 77 GLU HG3 1 80 GLY H . . 3.930 3.658 3.084 3.973 0.043 13 0 "[ . 1 . 2]" 1
1428 1 77 GLU HG3 1 80 GLY HA2 . . 4.780 3.611 2.715 4.253 . 0 0 "[ . 1 . 2]" 1
1429 1 77 GLU HG3 1 81 LYS H . . 4.470 3.955 3.463 4.527 0.057 4 0 "[ . 1 . 2]" 1
1430 1 77 GLU HG3 1 81 LYS HA . . 5.500 4.280 3.769 4.766 . 0 0 "[ . 1 . 2]" 1
1431 1 77 GLU HG3 1 82 TYR QE . . 4.290 3.450 2.874 4.205 . 0 0 "[ . 1 . 2]" 1
1432 1 78 GLU H 1 78 GLU HB2 . . 3.400 3.220 2.566 3.461 0.061 1 0 "[ . 1 . 2]" 1
1433 1 78 GLU H 1 78 GLU HB3 . . 4.000 2.939 2.632 3.049 . 0 0 "[ . 1 . 2]" 1
1434 1 78 GLU H 1 79 ASN H . . 4.680 4.018 3.592 4.232 . 0 0 "[ . 1 . 2]" 1
1435 1 78 GLU H 1 80 GLY H . . 3.790 3.206 2.828 3.593 . 0 0 "[ . 1 . 2]" 1
1436 1 78 GLU H 1 81 LYS H . . 3.670 3.172 2.632 3.592 . 0 0 "[ . 1 . 2]" 1
1437 1 78 GLU H 1 81 LYS HB3 . . 5.180 4.511 4.096 4.803 . 0 0 "[ . 1 . 2]" 1
1438 1 78 GLU H 1 82 TYR H . . 5.500 4.902 4.799 4.980 . 0 0 "[ . 1 . 2]" 1
1439 1 78 GLU H 1 82 TYR HA . . 4.100 3.253 3.020 3.457 . 0 0 "[ . 1 . 2]" 1
1440 1 78 GLU H 1 83 TYR H . . 5.500 4.625 4.264 4.887 . 0 0 "[ . 1 . 2]" 1
1441 1 78 GLU H 1 83 TYR QD . . 3.500 2.912 2.624 3.256 . 0 0 "[ . 1 . 2]" 1
1442 1 78 GLU H 1 83 TYR QE . . 3.310 2.885 2.724 3.136 . 0 0 "[ . 1 . 2]" 1
1443 1 78 GLU HA 1 78 GLU HB2 . . 2.960 2.486 2.407 2.582 . 0 0 "[ . 1 . 2]" 1
1444 1 78 GLU HA 1 78 GLU HG2 . . 3.650 3.230 2.216 3.816 0.166 1 0 "[ . 1 . 2]" 1
1445 1 78 GLU HA 1 79 ASN H . . 2.820 2.174 2.059 2.888 0.068 17 0 "[ . 1 . 2]" 1
1446 1 78 GLU HA 1 83 TYR QE . . 4.440 4.498 4.372 4.538 0.098 13 0 "[ . 1 . 2]" 1
1447 1 78 GLU HB3 1 83 TYR QD . . 3.120 2.784 2.409 3.871 0.751 17 1 "[ . 1 . + 2]" 1
1448 1 78 GLU HB3 1 83 TYR QE . . 3.520 2.306 2.100 2.586 . 0 0 "[ . 1 . 2]" 1
1449 1 78 GLU HG2 1 79 ASN H . . 4.700 3.822 2.605 4.708 0.008 6 0 "[ . 1 . 2]" 1
1450 1 78 GLU HG2 1 79 ASN HD21 . . 5.500 3.441 2.062 4.204 . 0 0 "[ . 1 . 2]" 1
1451 1 78 GLU HG2 1 79 ASN HD22 . . 5.500 4.935 3.017 5.548 0.048 7 0 "[ . 1 . 2]" 1
1452 1 78 GLU HG2 1 83 TYR QE . . 4.810 4.137 3.803 4.950 0.140 8 0 "[ . 1 . 2]" 1
1453 1 78 GLU HG3 1 79 ASN H . . 4.640 3.267 2.511 4.738 0.098 9 0 "[ . 1 . 2]" 1
1454 1 78 GLU HG3 1 79 ASN HB2 . . 4.630 3.898 2.590 5.455 0.825 17 2 "[ . -1 . + 2]" 1
1455 1 78 GLU HG3 1 79 ASN HD21 . . 4.610 3.562 2.603 4.348 . 0 0 "[ . 1 . 2]" 1
1456 1 78 GLU HG3 1 79 ASN HD22 . . 5.120 4.992 4.030 5.585 0.465 8 0 "[ . 1 . 2]" 1
1457 1 78 GLU HG3 1 83 TYR QE . . 4.840 4.708 3.477 4.942 0.102 10 0 "[ . 1 . 2]" 1
1458 1 79 ASN H 1 79 ASN HA . . 2.910 2.262 2.180 2.923 0.013 17 0 "[ . 1 . 2]" 1
1459 1 79 ASN H 1 79 ASN HD21 . . 5.500 3.491 2.136 4.201 . 0 0 "[ . 1 . 2]" 1
1460 1 79 ASN H 1 79 ASN HD22 . . 5.500 4.648 3.583 5.182 . 0 0 "[ . 1 . 2]" 1
1461 1 79 ASN H 1 80 GLY H . . 3.740 2.905 2.507 3.392 . 0 0 "[ . 1 . 2]" 1
1462 1 79 ASN H 1 80 GLY HA2 . . 5.500 5.084 4.657 5.576 0.076 17 0 "[ . 1 . 2]" 1
1463 1 79 ASN H 1 81 LYS H . . 5.430 4.544 3.749 4.953 . 0 0 "[ . 1 . 2]" 1
1464 1 79 ASN HA 1 79 ASN HD22 . . 5.500 3.915 3.669 4.310 . 0 0 "[ . 1 . 2]" 1
1465 1 79 ASN HA 1 80 GLY H . . 3.190 3.190 2.711 3.277 0.087 6 0 "[ . 1 . 2]" 1
1466 1 79 ASN HA 1 80 GLY HA2 . . 5.110 4.769 4.269 5.040 . 0 0 "[ . 1 . 2]" 1
1467 1 79 ASN HB2 1 80 GLY H . . 4.890 4.087 3.648 4.360 . 0 0 "[ . 1 . 2]" 1
1468 1 79 ASN HB2 1 81 LYS H . . 5.090 4.335 3.675 4.767 . 0 0 "[ . 1 . 2]" 1
1469 1 79 ASN HB3 1 79 ASN HD21 . . 3.560 3.505 3.385 3.631 0.071 1 0 "[ . 1 . 2]" 1
1470 1 79 ASN HB3 1 80 GLY H . . 5.070 4.082 3.676 4.369 . 0 0 "[ . 1 . 2]" 1
1471 1 79 ASN HB3 1 81 LYS H . . 5.150 4.287 3.778 5.253 0.103 17 0 "[ . 1 . 2]" 1
1472 1 80 GLY H 1 81 LYS H . . 3.440 2.320 2.189 2.539 . 0 0 "[ . 1 . 2]" 1
1473 1 80 GLY H 1 81 LYS HB3 . . 5.500 5.490 4.953 5.844 0.344 14 0 "[ . 1 . 2]" 1
1474 1 80 GLY HA3 1 81 LYS QD . . 4.250 4.108 3.671 4.341 0.091 18 0 "[ . 1 . 2]" 1
1475 1 81 LYS H 1 81 LYS HB2 . . 3.400 2.372 2.186 2.512 . 0 0 "[ . 1 . 2]" 1
1476 1 81 LYS H 1 81 LYS HB3 . . 3.440 3.305 2.824 3.501 0.061 17 0 "[ . 1 . 2]" 1
1477 1 81 LYS H 1 81 LYS HG2 . . 4.570 4.594 4.104 4.662 0.092 10 0 "[ . 1 . 2]" 1
1478 1 81 LYS H 1 81 LYS HG3 . . 4.410 4.446 4.015 4.553 0.143 5 0 "[ . 1 . 2]" 1
1479 1 81 LYS H 1 82 TYR H . . 5.040 4.477 4.317 4.765 . 0 0 "[ . 1 . 2]" 1
1480 1 81 LYS H 1 83 TYR QE . . 3.800 3.233 2.883 3.869 0.069 17 0 "[ . 1 . 2]" 1
1481 1 81 LYS HA 1 81 LYS QD . . 2.960 2.470 2.121 2.940 . 0 0 "[ . 1 . 2]" 1
1482 1 81 LYS HA 1 81 LYS HG2 . . 3.650 3.580 3.507 3.692 0.042 12 0 "[ . 1 . 2]" 1
1483 1 81 LYS HA 1 81 LYS HG3 . . 3.750 2.370 2.256 2.533 . 0 0 "[ . 1 . 2]" 1
1484 1 81 LYS HA 1 82 TYR H . . 2.930 2.403 2.267 2.548 . 0 0 "[ . 1 . 2]" 1
1485 1 81 LYS HA 1 82 TYR QD . . 4.680 3.517 2.862 3.929 . 0 0 "[ . 1 . 2]" 1
1486 1 81 LYS HA 1 83 TYR QE . . 4.590 4.649 4.422 4.697 0.107 10 0 "[ . 1 . 2]" 1
1487 1 81 LYS HB2 1 83 TYR QE . . 3.840 2.905 2.247 3.664 . 0 0 "[ . 1 . 2]" 1
1488 1 81 LYS HB3 1 82 TYR H . . 3.620 2.878 2.303 3.507 . 0 0 "[ . 1 . 2]" 1
1489 1 81 LYS HB3 1 83 TYR QD . . 3.980 3.951 3.700 4.070 0.090 20 0 "[ . 1 . 2]" 1
1490 1 81 LYS HB3 1 83 TYR QE . . 3.060 2.786 2.206 3.287 0.227 14 0 "[ . 1 . 2]" 1
1491 1 81 LYS HB3 1 93 GLU HG2 . . 4.840 4.040 2.931 4.838 . 0 0 "[ . 1 . 2]" 1
1492 1 81 LYS HG2 1 82 TYR H . . 4.950 4.291 3.766 4.892 . 0 0 "[ . 1 . 2]" 1
1493 1 81 LYS HG2 1 83 TYR QE . . 5.470 4.181 3.783 4.401 . 0 0 "[ . 1 . 2]" 1
1494 1 81 LYS HG3 1 82 TYR H . . 4.680 3.034 2.298 3.903 . 0 0 "[ . 1 . 2]" 1
1495 1 81 LYS HG3 1 83 TYR QE . . 5.500 4.816 4.423 5.155 . 0 0 "[ . 1 . 2]" 1
1496 1 81 LYS HG3 1 93 GLU HG2 . . 4.820 3.675 3.079 4.315 . 0 0 "[ . 1 . 2]" 1
1497 1 82 TYR H 1 82 TYR HB2 . . 3.590 2.474 2.340 2.620 . 0 0 "[ . 1 . 2]" 1
1498 1 82 TYR H 1 82 TYR HB3 . . 4.150 3.659 3.572 3.750 . 0 0 "[ . 1 . 2]" 1
1499 1 82 TYR H 1 82 TYR QD . . 3.760 2.679 2.383 2.958 . 0 0 "[ . 1 . 2]" 1
1500 1 82 TYR H 1 82 TYR QE . . 4.750 4.709 4.411 4.843 0.093 8 0 "[ . 1 . 2]" 1
1501 1 82 TYR H 1 83 TYR H . . 5.180 4.527 4.447 4.593 . 0 0 "[ . 1 . 2]" 1
1502 1 82 TYR H 1 83 TYR QE . . 4.700 4.619 4.253 4.785 0.085 9 0 "[ . 1 . 2]" 1
1503 1 82 TYR H 1 93 GLU HG2 . . 4.980 5.032 4.743 5.063 0.083 8 0 "[ . 1 . 2]" 1
1504 1 82 TYR H 1 94 ILE H . . 5.140 3.762 3.373 4.031 . 0 0 "[ . 1 . 2]" 1
1505 1 82 TYR H 1 94 ILE HG12 . . 5.500 3.855 3.373 4.334 . 0 0 "[ . 1 . 2]" 1
1506 1 82 TYR H 1 96 ASN HA . . 5.500 5.519 4.416 5.589 0.089 15 0 "[ . 1 . 2]" 1
1507 1 82 TYR HA 1 82 TYR QD . . 3.710 2.902 2.577 3.196 . 0 0 "[ . 1 . 2]" 1
1508 1 82 TYR HA 1 82 TYR QE . . 4.760 4.661 4.466 4.850 0.090 20 0 "[ . 1 . 2]" 1
1509 1 82 TYR HA 1 83 TYR H . . 2.990 2.304 2.226 2.383 . 0 0 "[ . 1 . 2]" 1
1510 1 82 TYR HA 1 83 TYR HB2 . . 4.620 4.483 4.096 4.687 0.067 5 0 "[ . 1 . 2]" 1
1511 1 82 TYR HB2 1 94 ILE H . . 5.500 4.148 3.882 4.387 . 0 0 "[ . 1 . 2]" 1
1512 1 82 TYR HB2 1 94 ILE MD . . 4.960 2.600 2.263 3.120 . 0 0 "[ . 1 . 2]" 1
1513 1 82 TYR HB2 1 94 ILE HG12 . . 4.310 2.674 2.225 3.015 . 0 0 "[ . 1 . 2]" 1
1514 1 82 TYR HB2 1 94 ILE HG13 . . 3.640 2.156 2.057 2.269 . 0 0 "[ . 1 . 2]" 1
1515 1 82 TYR HB2 1 98 PHE H . . 5.050 4.424 3.776 5.077 0.027 8 0 "[ . 1 . 2]" 1
1516 1 82 TYR HB3 1 83 TYR H . . 4.200 2.836 2.585 3.195 . 0 0 "[ . 1 . 2]" 1
1517 1 82 TYR HB3 1 94 ILE H . . 5.120 5.075 4.597 5.357 0.237 2 0 "[ . 1 . 2]" 1
1518 1 82 TYR HB3 1 94 ILE MD . . 4.330 2.769 2.361 3.175 . 0 0 "[ . 1 . 2]" 1
1519 1 82 TYR HB3 1 94 ILE HG12 . . 4.510 3.351 2.778 3.727 . 0 0 "[ . 1 . 2]" 1
1520 1 82 TYR HB3 1 94 ILE HG13 . . 3.770 3.523 3.252 3.774 0.004 15 0 "[ . 1 . 2]" 1
1521 1 82 TYR HB3 1 96 ASN H . . 5.240 5.313 4.397 6.101 0.861 6 3 "[* .+ - . 2]" 1
1522 1 82 TYR HB3 1 97 ASN HA . . 4.130 3.767 3.407 4.203 0.073 20 0 "[ . 1 . 2]" 1
1523 1 82 TYR HB3 1 98 PHE H . . 5.010 3.934 3.671 4.299 . 0 0 "[ . 1 . 2]" 1
1524 1 82 TYR QD 1 83 TYR H . . 5.050 3.937 3.582 4.307 . 0 0 "[ . 1 . 2]" 1
1525 1 82 TYR QD 1 94 ILE HG13 . . 4.970 3.533 3.090 4.033 . 0 0 "[ . 1 . 2]" 1
1526 1 82 TYR QD 1 96 ASN HA . . 3.900 3.280 2.221 3.616 . 0 0 "[ . 1 . 2]" 1
1527 1 82 TYR QD 1 97 ASN H . . 4.230 4.022 3.644 4.303 0.073 20 0 "[ . 1 . 2]" 1
1528 1 82 TYR QD 1 97 ASN HA . . 3.660 3.190 3.059 3.369 . 0 0 "[ . 1 . 2]" 1
1529 1 82 TYR QD 1 97 ASN HD21 . . 4.090 3.292 2.528 4.174 0.084 8 0 "[ . 1 . 2]" 1
1530 1 82 TYR QD 1 98 PHE H . . 4.970 4.128 3.836 4.525 . 0 0 "[ . 1 . 2]" 1
1531 1 82 TYR QE 1 96 ASN HA . . 3.390 3.358 2.697 3.479 0.089 19 0 "[ . 1 . 2]" 1
1532 1 82 TYR QE 1 97 ASN H . . 4.300 3.499 3.180 3.702 . 0 0 "[ . 1 . 2]" 1
1533 1 82 TYR QE 1 97 ASN HA . . 3.730 3.460 3.190 3.797 0.067 2 0 "[ . 1 . 2]" 1
1534 1 82 TYR QE 1 97 ASN HB2 . . 5.450 3.073 2.700 3.391 . 0 0 "[ . 1 . 2]" 1
1535 1 82 TYR QE 1 97 ASN HD21 . . 3.880 2.375 2.010 3.292 . 0 0 "[ . 1 . 2]" 1
1536 1 83 TYR H 1 83 TYR HB2 . . 3.660 2.834 2.624 3.040 . 0 0 "[ . 1 . 2]" 1
1537 1 83 TYR H 1 83 TYR HB3 . . 4.150 3.881 3.767 3.970 . 0 0 "[ . 1 . 2]" 1
1538 1 83 TYR H 1 83 TYR QD . . 3.410 3.017 2.778 3.160 . 0 0 "[ . 1 . 2]" 1
1539 1 83 TYR H 1 84 ILE MD . . 5.500 3.921 3.558 4.410 . 0 0 "[ . 1 . 2]" 1
1540 1 83 TYR H 1 94 ILE MD . . 5.500 4.503 3.972 4.923 . 0 0 "[ . 1 . 2]" 1
1541 1 83 TYR HA 1 83 TYR QD . . 3.180 3.051 2.808 3.256 0.076 2 0 "[ . 1 . 2]" 1
1542 1 83 TYR HA 1 84 ILE H . . 2.930 2.339 2.082 2.499 . 0 0 "[ . 1 . 2]" 1
1543 1 83 TYR HA 1 84 ILE HB . . 4.790 4.392 4.074 4.682 . 0 0 "[ . 1 . 2]" 1
1544 1 83 TYR HA 1 92 TYR H . . 5.030 4.742 4.272 5.045 0.015 16 0 "[ . 1 . 2]" 1
1545 1 83 TYR HA 1 93 GLU H . . 5.500 5.153 4.886 5.311 . 0 0 "[ . 1 . 2]" 1
1546 1 83 TYR HA 1 93 GLU HA . . 3.320 3.273 3.181 3.374 0.054 13 0 "[ . 1 . 2]" 1
1547 1 83 TYR HA 1 94 ILE H . . 4.020 3.224 2.851 3.538 . 0 0 "[ . 1 . 2]" 1
1548 1 83 TYR HA 1 94 ILE HG12 . . 4.570 3.342 2.742 3.948 . 0 0 "[ . 1 . 2]" 1
1549 1 83 TYR HA 1 94 ILE MG . . 5.500 3.886 3.069 4.633 . 0 0 "[ . 1 . 2]" 1
1550 1 83 TYR HB2 1 84 ILE H . . 4.280 3.592 3.199 4.107 . 0 0 "[ . 1 . 2]" 1
1551 1 83 TYR HB3 1 84 ILE H . . 3.710 2.488 2.220 3.053 . 0 0 "[ . 1 . 2]" 1
1552 1 83 TYR HB3 1 93 GLU HA . . 4.650 4.292 3.825 4.710 0.060 8 0 "[ . 1 . 2]" 1
1553 1 83 TYR QD 1 84 ILE H . . 4.470 3.850 3.641 4.139 . 0 0 "[ . 1 . 2]" 1
1554 1 83 TYR QD 1 91 ILE MG . . 3.380 3.387 3.064 3.492 0.112 4 0 "[ . 1 . 2]" 1
1555 1 83 TYR QD 1 92 TYR H . . 4.500 4.186 3.883 4.411 . 0 0 "[ . 1 . 2]" 1
1556 1 83 TYR QD 1 93 GLU HA . . 3.040 2.557 2.337 3.082 0.042 19 0 "[ . 1 . 2]" 1
1557 1 83 TYR QD 1 93 GLU HB2 . . 3.530 3.402 2.872 3.608 0.078 12 0 "[ . 1 . 2]" 1
1558 1 83 TYR QD 1 94 ILE H . . 4.930 4.196 3.950 4.601 . 0 0 "[ . 1 . 2]" 1
1559 1 83 TYR QE 1 93 GLU HB2 . . 2.940 2.396 2.226 2.493 . 0 0 "[ . 1 . 2]" 1
1560 1 83 TYR QE 1 93 GLU HB3 . . 4.010 4.053 3.914 4.107 0.097 18 0 "[ . 1 . 2]" 1
1561 1 83 TYR QE 1 93 GLU HG2 . . 5.440 3.946 3.175 4.218 . 0 0 "[ . 1 . 2]" 1
1562 1 83 TYR QE 1 93 GLU HG3 . . 2.610 2.659 2.483 2.697 0.087 3 0 "[ . 1 . 2]" 1
1563 1 84 ILE H 1 84 ILE HB . . 3.360 2.599 2.393 2.843 . 0 0 "[ . 1 . 2]" 1
1564 1 84 ILE H 1 84 ILE MD . . 4.490 2.744 2.493 2.895 . 0 0 "[ . 1 . 2]" 1
1565 1 84 ILE H 1 84 ILE HG12 . . 4.510 4.535 4.336 4.591 0.081 10 0 "[ . 1 . 2]" 1
1566 1 84 ILE H 1 84 ILE HG13 . . 4.570 3.899 3.623 4.165 . 0 0 "[ . 1 . 2]" 1
1567 1 84 ILE H 1 84 ILE MG . . 4.520 3.820 3.723 3.992 . 0 0 "[ . 1 . 2]" 1
1568 1 84 ILE H 1 85 GLU H . . 4.700 4.341 4.127 4.518 . 0 0 "[ . 1 . 2]" 1
1569 1 84 ILE H 1 91 ILE HA . . 5.500 4.622 4.262 4.887 . 0 0 "[ . 1 . 2]" 1
1570 1 84 ILE H 1 92 TYR H . . 3.950 3.142 2.939 3.480 . 0 0 "[ . 1 . 2]" 1
1571 1 84 ILE H 1 92 TYR HB2 . . 4.470 2.766 2.527 3.069 . 0 0 "[ . 1 . 2]" 1
1572 1 84 ILE H 1 92 TYR QD . . 4.150 3.548 3.167 3.860 . 0 0 "[ . 1 . 2]" 1
1573 1 84 ILE H 1 93 GLU HA . . 4.720 4.770 4.627 4.809 0.089 7 0 "[ . 1 . 2]" 1
1574 1 84 ILE H 1 94 ILE HG12 . . 5.270 5.026 4.720 5.325 0.055 8 0 "[ . 1 . 2]" 1
1575 1 84 ILE HA 1 84 ILE MD . . 3.950 3.296 3.075 3.507 . 0 0 "[ . 1 . 2]" 1
1576 1 84 ILE HA 1 84 ILE HG12 . . 4.090 3.580 3.418 3.704 . 0 0 "[ . 1 . 2]" 1
1577 1 84 ILE HA 1 84 ILE HG13 . . 3.680 2.396 2.208 2.527 . 0 0 "[ . 1 . 2]" 1
1578 1 84 ILE HA 1 84 ILE MG . . 3.440 2.530 2.371 2.632 . 0 0 "[ . 1 . 2]" 1
1579 1 84 ILE HA 1 85 GLU H . . 2.950 2.162 2.082 2.225 . 0 0 "[ . 1 . 2]" 1
1580 1 84 ILE HB 1 84 ILE MD . . 2.860 2.283 2.199 2.366 . 0 0 "[ . 1 . 2]" 1
1581 1 84 ILE HB 1 85 GLU H . . 5.500 4.303 3.860 4.588 . 0 0 "[ . 1 . 2]" 1
1582 1 84 ILE HB 1 92 TYR H . . 4.330 3.826 3.485 4.275 . 0 0 "[ . 1 . 2]" 1
1583 1 84 ILE HB 1 92 TYR HB2 . . 3.480 2.203 2.024 2.671 . 0 0 "[ . 1 . 2]" 1
1584 1 84 ILE HB 1 92 TYR HB3 . . 4.060 3.689 3.392 4.100 0.040 5 0 "[ . 1 . 2]" 1
1585 1 84 ILE HB 1 92 TYR QD . . 3.850 2.508 2.222 2.923 . 0 0 "[ . 1 . 2]" 1
1586 1 84 ILE MD 1 85 GLU H . . 5.120 5.010 4.905 5.160 0.040 7 0 "[ . 1 . 2]" 1
1587 1 84 ILE MD 1 92 TYR HB2 . . 5.430 2.544 2.242 2.888 . 0 0 "[ . 1 . 2]" 1
1588 1 84 ILE MD 1 92 TYR QD . . 4.220 3.936 3.479 4.298 0.078 20 0 "[ . 1 . 2]" 1
1589 1 84 ILE MD 1 93 GLU H . . 5.500 5.361 5.016 5.587 0.087 20 0 "[ . 1 . 2]" 1
1590 1 84 ILE MD 1 98 PHE H . . 5.500 5.162 4.709 5.561 0.061 2 0 "[ . 1 . 2]" 1
1591 1 84 ILE MD 1 98 PHE HA . . 5.500 5.398 4.971 5.579 0.079 2 0 "[ . 1 . 2]" 1
1592 1 84 ILE MD 1 98 PHE HB2 . . 5.010 3.654 3.317 3.907 . 0 0 "[ . 1 . 2]" 1
1593 1 84 ILE HG12 1 84 ILE MG . . 3.180 2.136 2.092 2.176 . 0 0 "[ . 1 . 2]" 1
1594 1 84 ILE HG13 1 84 ILE MG . . 3.020 2.725 2.641 2.871 . 0 0 "[ . 1 . 2]" 1
1595 1 84 ILE MG 1 85 GLU H . . 3.620 2.752 2.222 3.264 . 0 0 "[ . 1 . 2]" 1
1596 1 84 ILE MG 1 85 GLU HA . . 5.170 4.081 3.910 4.335 . 0 0 "[ . 1 . 2]" 1
1597 1 84 ILE MG 1 86 CYS H . . 5.500 4.839 4.490 5.170 . 0 0 "[ . 1 . 2]" 1
1598 1 84 ILE MG 1 92 TYR H . . 5.500 4.520 4.064 5.253 . 0 0 "[ . 1 . 2]" 1
1599 1 84 ILE MG 1 92 TYR HB2 . . 4.590 3.724 3.420 4.305 . 0 0 "[ . 1 . 2]" 1
1600 1 84 ILE MG 1 92 TYR QD . . 3.430 2.716 2.201 3.510 0.080 5 0 "[ . 1 . 2]" 1
1601 1 85 GLU H 1 85 GLU HB2 . . 3.940 2.533 2.064 3.597 . 0 0 "[ . 1 . 2]" 1
1602 1 85 GLU H 1 85 GLU HB3 . . 3.690 2.547 2.118 3.563 . 0 0 "[ . 1 . 2]" 1
1603 1 85 GLU H 1 86 CYS H . . 5.300 4.598 4.531 4.712 . 0 0 "[ . 1 . 2]" 1
1604 1 85 GLU HA 1 86 CYS H . . 2.970 2.343 2.171 2.576 . 0 0 "[ . 1 . 2]" 1
1605 1 85 GLU HA 1 92 TYR QD . . 4.710 4.702 4.351 4.801 0.091 12 0 "[ . 1 . 2]" 1
1606 1 85 GLU HB2 1 86 CYS H . . 3.710 3.864 2.659 4.199 0.489 12 0 "[ . 1 . 2]" 1
1607 1 85 GLU QG 1 86 CYS H . . 4.160 2.801 2.055 4.251 0.091 10 0 "[ . 1 . 2]" 1
1608 1 86 CYS H 1 86 CYS HB2 . . 3.660 3.084 2.928 3.266 . 0 0 "[ . 1 . 2]" 1
1609 1 86 CYS H 1 86 CYS HB3 . . 3.850 3.768 3.630 3.858 0.008 11 0 "[ . 1 . 2]" 1
1610 1 86 CYS H 1 87 PRO HA . . 5.500 4.737 4.636 4.870 . 0 0 "[ . 1 . 2]" 1
1611 1 86 CYS H 1 87 PRO HD2 . . 5.500 4.688 4.605 4.800 . 0 0 "[ . 1 . 2]" 1
1612 1 86 CYS H 1 90 GLY H . . 4.710 4.741 4.414 4.790 0.080 13 0 "[ . 1 . 2]" 1
1613 1 86 CYS H 1 90 GLY HA3 . . 5.500 2.712 2.529 2.878 . 0 0 "[ . 1 . 2]" 1
1614 1 86 CYS HA 1 87 PRO HD2 . . 3.140 2.663 2.532 2.886 . 0 0 "[ . 1 . 2]" 1
1615 1 86 CYS HA 1 87 PRO HD3 . . 3.090 2.762 2.562 2.905 . 0 0 "[ . 1 . 2]" 1
1616 1 86 CYS HA 1 87 PRO HG3 . . 4.910 4.902 4.808 4.984 0.074 10 0 "[ . 1 . 2]" 1
1617 1 86 CYS HB2 1 89 LYS H . . 5.370 4.728 4.181 5.055 . 0 0 "[ . 1 . 2]" 1
1618 1 86 CYS HB2 1 90 GLY H . . 4.200 3.983 3.342 4.271 0.071 20 0 "[ . 1 . 2]" 1
1619 1 86 CYS HB2 1 92 TYR QE . . 4.150 2.256 2.069 2.459 . 0 0 "[ . 1 . 2]" 1
1620 1 86 CYS HB3 1 87 PRO HD2 . . 5.220 2.165 2.088 2.411 . 0 0 "[ . 1 . 2]" 1
1621 1 86 CYS HB3 1 87 PRO HD3 . . 5.260 3.672 3.584 3.896 . 0 0 "[ . 1 . 2]" 1
1622 1 86 CYS HB3 1 89 LYS H . . 4.860 3.378 2.920 3.664 . 0 0 "[ . 1 . 2]" 1
1623 1 86 CYS HB3 1 89 LYS HA . . 5.070 5.003 4.805 5.148 0.078 18 0 "[ . 1 . 2]" 1
1624 1 86 CYS HB3 1 89 LYS HB2 . . 4.120 3.965 3.348 4.216 0.096 15 0 "[ . 1 . 2]" 1
1625 1 86 CYS HB3 1 90 GLY H . . 4.110 3.665 3.122 4.089 . 0 0 "[ . 1 . 2]" 1
1626 1 86 CYS HB3 1 92 TYR QE . . 4.260 3.250 2.926 3.656 . 0 0 "[ . 1 . 2]" 1
1627 1 87 PRO HA 1 88 TYR H . . 2.830 2.758 2.666 2.822 . 0 0 "[ . 1 . 2]" 1
1628 1 87 PRO HA 1 89 LYS H . . 4.210 4.277 4.230 4.305 0.095 1 0 "[ . 1 . 2]" 1
1629 1 87 PRO HA 1 90 GLY H . . 5.500 5.058 4.656 5.384 . 0 0 "[ . 1 . 2]" 1
1630 1 87 PRO HB2 1 88 TYR QD . . 3.220 2.718 2.351 3.018 . 0 0 "[ . 1 . 2]" 1
1631 1 87 PRO HB2 1 88 TYR QE . . 4.920 4.133 3.157 4.752 . 0 0 "[ . 1 . 2]" 1
1632 1 87 PRO HB3 1 88 TYR H . . 4.150 3.443 3.370 3.519 . 0 0 "[ . 1 . 2]" 1
1633 1 87 PRO HB3 1 88 TYR QD . . 4.460 4.309 3.881 4.540 0.080 20 0 "[ . 1 . 2]" 1
1634 1 87 PRO HD2 1 89 LYS H . . 5.120 4.045 3.874 4.250 . 0 0 "[ . 1 . 2]" 1
1635 1 87 PRO HD3 1 88 TYR H . . 5.500 5.295 5.168 5.396 . 0 0 "[ . 1 . 2]" 1
1636 1 87 PRO HD3 1 89 LYS H . . 4.900 5.209 5.198 5.223 0.323 1 0 "[ . 1 . 2]" 1
1637 1 87 PRO HG2 1 90 GLY H . . 5.500 5.343 4.661 5.560 0.060 1 0 "[ . 1 . 2]" 1
1638 1 88 TYR H 1 88 TYR QD . . 3.900 2.397 2.064 2.695 . 0 0 "[ . 1 . 2]" 1
1639 1 88 TYR H 1 88 TYR QE . . 5.500 3.978 3.506 4.184 . 0 0 "[ . 1 . 2]" 1
1640 1 88 TYR H 1 89 LYS H . . 3.720 3.302 3.137 3.405 . 0 0 "[ . 1 . 2]" 1
1641 1 88 TYR H 1 90 GLY H . . 5.040 4.935 4.579 5.124 0.084 20 0 "[ . 1 . 2]" 1
1642 1 88 TYR HA 1 88 TYR QD . . 3.050 2.949 2.678 3.122 0.072 14 0 "[ . 1 . 2]" 1
1643 1 88 TYR HA 1 90 GLY H . . 5.310 3.874 3.602 4.025 . 0 0 "[ . 1 . 2]" 1
1644 1 88 TYR HB2 1 89 LYS H . . 5.060 3.388 3.213 3.524 . 0 0 "[ . 1 . 2]" 1
1645 1 88 TYR HB2 1 89 LYS QE . . 2.490 2.324 1.975 2.586 0.096 17 0 "[ . 1 . 2]" 1
1646 1 88 TYR HB2 1 89 LYS HG2 . . 5.190 4.531 2.942 5.299 0.109 19 0 "[ . 1 . 2]" 1
1647 1 88 TYR HB2 1 89 LYS HG3 . . 5.220 4.256 3.376 5.256 0.036 5 0 "[ . 1 . 2]" 1
1648 1 88 TYR HB3 1 89 LYS H . . 5.120 4.178 4.014 4.328 . 0 0 "[ . 1 . 2]" 1
1649 1 88 TYR QD 1 89 LYS H . . 4.680 4.538 4.193 4.745 0.065 10 0 "[ . 1 . 2]" 1
1650 1 89 LYS H 1 89 LYS HB2 . . 3.360 2.900 2.435 3.458 0.098 4 0 "[ . 1 . 2]" 1
1651 1 89 LYS H 1 89 LYS HB3 . . 3.860 3.691 3.318 3.924 0.064 11 0 "[ . 1 . 2]" 1
1652 1 89 LYS H 1 89 LYS QE . . 5.470 2.769 1.971 4.111 . 0 0 "[ . 1 . 2]" 1
1653 1 89 LYS H 1 89 LYS HG2 . . 4.270 3.677 1.884 4.533 0.263 11 0 "[ . 1 . 2]" 1
1654 1 89 LYS H 1 89 LYS HG3 . . 4.440 3.484 2.713 4.345 . 0 0 "[ . 1 . 2]" 1
1655 1 89 LYS H 1 90 GLY H . . 3.070 2.724 2.207 3.060 . 0 0 "[ . 1 . 2]" 1
1656 1 89 LYS H 1 90 GLY HA3 . . 5.500 4.262 4.068 4.450 . 0 0 "[ . 1 . 2]" 1
1657 1 89 LYS HA 1 89 LYS QE . . 3.540 3.571 2.570 3.648 0.108 13 0 "[ . 1 . 2]" 1
1658 1 89 LYS HA 1 89 LYS HG2 . . 3.740 3.358 2.995 3.708 . 0 0 "[ . 1 . 2]" 1
1659 1 89 LYS HA 1 89 LYS HG3 . . 3.640 3.052 2.421 3.854 0.214 9 0 "[ . 1 . 2]" 1
1660 1 89 LYS HA 1 90 GLY HA2 . . 4.420 4.488 4.442 4.511 0.091 2 0 "[ . 1 . 2]" 1
1661 1 89 LYS HA 1 91 ILE H . . 4.390 4.080 3.602 4.400 0.010 11 0 "[ . 1 . 2]" 1
1662 1 89 LYS HA 1 91 ILE HG13 . . 4.490 4.462 4.081 4.575 0.085 19 0 "[ . 1 . 2]" 1
1663 1 89 LYS HB2 1 89 LYS QE . . 4.770 2.755 1.915 4.223 . 0 0 "[ . 1 . 2]" 1
1664 1 89 LYS HB2 1 90 GLY H . . 4.450 4.306 3.927 4.512 0.062 19 0 "[ . 1 . 2]" 1
1665 1 89 LYS HB3 1 89 LYS QE . . 4.040 3.211 1.961 4.089 0.049 8 0 "[ . 1 . 2]" 1
1666 1 89 LYS HB3 1 90 GLY H . . 4.470 4.519 4.436 4.556 0.086 5 0 "[ . 1 . 2]" 1
1667 1 89 LYS HD3 1 89 LYS HG2 . . 2.820 2.645 2.374 3.052 0.232 4 0 "[ . 1 . 2]" 1
1668 1 89 LYS QE 1 89 LYS HG3 . . 3.540 2.712 2.236 3.434 . 0 0 "[ . 1 . 2]" 1
1669 1 90 GLY HA2 1 91 ILE H . . 3.290 2.635 2.360 3.306 0.016 15 0 "[ . 1 . 2]" 1
1670 1 90 GLY HA2 1 91 ILE HA . . 5.480 4.325 4.178 4.539 . 0 0 "[ . 1 . 2]" 1
1671 1 90 GLY HA2 1 91 ILE HG12 . . 4.960 5.015 4.926 5.035 0.075 5 0 "[ . 1 . 2]" 1
1672 1 90 GLY HA2 1 92 TYR QE . . 3.600 2.412 2.251 2.655 . 0 0 "[ . 1 . 2]" 1
1673 1 90 GLY HA3 1 91 ILE HG12 . . 4.950 4.546 4.128 4.682 . 0 0 "[ . 1 . 2]" 1
1674 1 90 GLY HA3 1 92 TYR QE . . 4.290 3.816 3.580 4.132 . 0 0 "[ . 1 . 2]" 1
1675 1 91 ILE H 1 91 ILE HB . . 3.270 2.962 2.541 3.203 . 0 0 "[ . 1 . 2]" 1
1676 1 91 ILE H 1 91 ILE MD . . 5.180 4.330 3.775 4.555 . 0 0 "[ . 1 . 2]" 1
1677 1 91 ILE H 1 91 ILE HG12 . . 4.380 3.684 2.959 3.938 . 0 0 "[ . 1 . 2]" 1
1678 1 91 ILE H 1 91 ILE HG13 . . 4.240 2.900 2.146 3.162 . 0 0 "[ . 1 . 2]" 1
1679 1 91 ILE H 1 91 ILE MG . . 4.510 3.989 3.782 4.050 . 0 0 "[ . 1 . 2]" 1
1680 1 91 ILE H 1 92 TYR H . . 5.100 2.866 2.505 3.445 . 0 0 "[ . 1 . 2]" 1
1681 1 91 ILE H 1 92 TYR QD . . 5.500 3.816 3.313 4.483 . 0 0 "[ . 1 . 2]" 1
1682 1 91 ILE H 1 92 TYR QE . . 5.480 4.203 3.843 4.838 . 0 0 "[ . 1 . 2]" 1
1683 1 91 ILE HA 1 91 ILE MD . . 4.580 3.848 3.674 3.961 . 0 0 "[ . 1 . 2]" 1
1684 1 91 ILE HA 1 91 ILE HG12 . . 3.690 2.615 2.328 2.825 . 0 0 "[ . 1 . 2]" 1
1685 1 91 ILE HA 1 91 ILE HG13 . . 4.040 3.379 3.248 3.542 . 0 0 "[ . 1 . 2]" 1
1686 1 91 ILE HA 1 91 ILE MG . . 3.450 2.302 2.182 2.388 . 0 0 "[ . 1 . 2]" 1
1687 1 91 ILE HA 1 92 TYR H . . 3.030 2.598 2.523 2.670 . 0 0 "[ . 1 . 2]" 1
1688 1 91 ILE HA 1 92 TYR HA . . 4.640 4.632 4.533 4.708 0.068 5 0 "[ . 1 . 2]" 1
1689 1 91 ILE HB 1 92 TYR H . . 4.720 4.437 4.335 4.531 . 0 0 "[ . 1 . 2]" 1
1690 1 91 ILE MD 1 91 ILE MG . . 2.940 2.047 2.008 2.098 . 0 0 "[ . 1 . 2]" 1
1691 1 91 ILE HG13 1 92 TYR H . . 5.130 5.076 4.875 5.201 0.071 1 0 "[ . 1 . 2]" 1
1692 1 91 ILE MG 1 92 TYR H . . 3.940 4.036 4.004 4.051 0.111 20 0 "[ . 1 . 2]" 1
1693 1 91 ILE MG 1 93 GLU H . . 5.500 4.310 3.791 5.070 . 0 0 "[ . 1 . 2]" 1
1694 1 92 TYR H 1 92 TYR HB2 . . 3.770 2.735 2.606 2.865 . 0 0 "[ . 1 . 2]" 1
1695 1 92 TYR H 1 92 TYR HB3 . . 4.080 3.753 3.692 3.824 . 0 0 "[ . 1 . 2]" 1
1696 1 92 TYR H 1 92 TYR QD . . 2.920 2.363 2.195 2.481 . 0 0 "[ . 1 . 2]" 1
1697 1 92 TYR H 1 92 TYR QE . . 4.200 4.255 4.141 4.294 0.094 15 0 "[ . 1 . 2]" 1
1698 1 92 TYR H 1 93 GLU H . . 5.370 4.302 4.093 4.572 . 0 0 "[ . 1 . 2]" 1
1699 1 92 TYR HA 1 92 TYR QD . . 4.210 3.125 2.932 3.275 . 0 0 "[ . 1 . 2]" 1
1700 1 92 TYR HA 1 93 GLU H . . 2.990 2.113 2.051 2.199 . 0 0 "[ . 1 . 2]" 1
1701 1 92 TYR HA 1 93 GLU HB2 . . 4.640 4.595 4.223 4.702 0.062 6 0 "[ . 1 . 2]" 1
1702 1 92 TYR HA 1 94 ILE H . . 5.500 5.549 5.035 5.588 0.088 4 0 "[ . 1 . 2]" 1
1703 1 92 TYR HB2 1 93 GLU H . . 5.110 4.287 3.959 4.394 . 0 0 "[ . 1 . 2]" 1
1704 1 92 TYR HB3 1 93 GLU H . . 4.150 3.641 3.118 3.827 . 0 0 "[ . 1 . 2]" 1
1705 1 92 TYR HB3 1 94 ILE MG . . 5.010 3.099 2.713 3.385 . 0 0 "[ . 1 . 2]" 1
1706 1 92 TYR QD 1 93 GLU H . . 5.080 4.696 4.436 4.862 . 0 0 "[ . 1 . 2]" 1
1707 1 93 GLU H 1 93 GLU HB2 . . 3.120 2.646 2.469 3.105 . 0 0 "[ . 1 . 2]" 1
1708 1 93 GLU H 1 93 GLU HB3 . . 3.540 2.342 2.145 2.597 . 0 0 "[ . 1 . 2]" 1
1709 1 93 GLU H 1 93 GLU HG2 . . 5.120 4.428 4.333 4.586 . 0 0 "[ . 1 . 2]" 1
1710 1 93 GLU H 1 94 ILE MG . . 5.500 4.503 3.530 4.900 . 0 0 "[ . 1 . 2]" 1
1711 1 93 GLU HA 1 93 GLU HG2 . . 3.880 2.870 2.612 3.046 . 0 0 "[ . 1 . 2]" 1
1712 1 93 GLU HA 1 93 GLU HG3 . . 3.910 2.969 2.528 3.518 . 0 0 "[ . 1 . 2]" 1
1713 1 93 GLU HA 1 94 ILE H . . 2.880 2.175 2.066 2.429 . 0 0 "[ . 1 . 2]" 1
1714 1 93 GLU HA 1 94 ILE HG12 . . 4.530 4.358 4.115 4.585 0.055 19 0 "[ . 1 . 2]" 1
1715 1 93 GLU HB2 1 94 ILE H . . 5.370 4.431 4.354 4.732 . 0 0 "[ . 1 . 2]" 1
1716 1 93 GLU HG2 1 94 ILE H . . 3.980 3.252 2.897 4.029 0.049 19 0 "[ . 1 . 2]" 1
1717 1 94 ILE H 1 94 ILE HB . . 3.870 3.862 3.783 3.925 0.055 16 0 "[ . 1 . 2]" 1
1718 1 94 ILE H 1 94 ILE MD . . 4.740 4.065 3.927 4.184 . 0 0 "[ . 1 . 2]" 1
1719 1 94 ILE H 1 94 ILE HG12 . . 3.530 2.440 2.270 2.640 . 0 0 "[ . 1 . 2]" 1
1720 1 94 ILE H 1 94 ILE HG13 . . 3.730 3.250 3.063 3.620 . 0 0 "[ . 1 . 2]" 1
1721 1 94 ILE H 1 94 ILE MG . . 4.060 2.920 2.588 3.148 . 0 0 "[ . 1 . 2]" 1
1722 1 94 ILE H 1 96 ASN H . . 5.500 5.078 4.829 5.576 0.076 4 0 "[ . 1 . 2]" 1
1723 1 94 ILE HA 1 94 ILE MD . . 4.150 4.205 4.135 4.238 0.088 1 0 "[ . 1 . 2]" 1
1724 1 94 ILE HA 1 94 ILE MG . . 3.000 2.323 2.256 2.468 . 0 0 "[ . 1 . 2]" 1
1725 1 94 ILE HA 1 95 GLU H . . 3.160 2.478 2.340 2.694 . 0 0 "[ . 1 . 2]" 1
1726 1 94 ILE HA 1 96 ASN H . . 4.870 4.324 3.911 4.919 0.049 4 0 "[ . 1 . 2]" 1
1727 1 94 ILE HB 1 94 ILE MD . . 3.710 2.427 2.365 2.536 . 0 0 "[ . 1 . 2]" 1
1728 1 94 ILE HB 1 95 GLU H . . 2.880 2.446 2.137 2.925 0.045 8 0 "[ . 1 . 2]" 1
1729 1 94 ILE HB 1 96 ASN H . . 3.420 3.050 2.513 3.478 0.058 18 0 "[ . 1 . 2]" 1
1730 1 94 ILE MD 1 94 ILE MG . . 3.060 2.097 2.028 2.138 . 0 0 "[ . 1 . 2]" 1
1731 1 94 ILE MD 1 95 GLU H . . 5.250 4.140 3.644 4.542 . 0 0 "[ . 1 . 2]" 1
1732 1 94 ILE MD 1 96 ASN H . . 4.430 3.268 2.954 3.705 . 0 0 "[ . 1 . 2]" 1
1733 1 94 ILE MD 1 97 ASN H . . 5.500 4.854 4.667 5.138 . 0 0 "[ . 1 . 2]" 1
1734 1 94 ILE MD 1 97 ASN HA . . 4.970 3.632 3.209 4.291 . 0 0 "[ . 1 . 2]" 1
1735 1 94 ILE MD 1 98 PHE H . . 3.810 3.022 2.493 3.683 . 0 0 "[ . 1 . 2]" 1
1736 1 94 ILE MD 1 98 PHE HA . . 3.770 3.473 3.066 3.836 0.066 20 0 "[ . 1 . 2]" 1
1737 1 94 ILE MD 1 98 PHE HB2 . . 3.700 2.585 2.208 3.123 . 0 0 "[ . 1 . 2]" 1
1738 1 94 ILE MD 1 98 PHE HB3 . . 4.420 3.785 3.230 4.440 0.020 1 0 "[ . 1 . 2]" 1
1739 1 94 ILE MD 1 98 PHE QD . . 3.760 3.338 3.027 3.692 . 0 0 "[ . 1 . 2]" 1
1740 1 94 ILE MD 1 98 PHE QE . . 5.500 5.121 4.799 5.442 . 0 0 "[ . 1 . 2]" 1
1741 1 94 ILE MD 1 99 GLU H . . 5.500 5.213 4.800 5.584 0.084 1 0 "[ . 1 . 2]" 1
1742 1 94 ILE HG12 1 95 GLU HA . . 5.280 5.348 5.239 5.364 0.084 14 0 "[ . 1 . 2]" 1
1743 1 94 ILE HG12 1 96 ASN H . . 5.010 4.216 3.925 4.772 . 0 0 "[ . 1 . 2]" 1
1744 1 94 ILE HG13 1 95 GLU H . . 5.210 3.400 2.887 3.682 . 0 0 "[ . 1 . 2]" 1
1745 1 94 ILE HG13 1 96 ASN H . . 4.230 2.504 2.177 3.111 . 0 0 "[ . 1 . 2]" 1
1746 1 94 ILE HG13 1 98 PHE H . . 5.500 5.081 4.580 5.565 0.065 1 0 "[ . 1 . 2]" 1
1747 1 94 ILE MG 1 95 GLU H . . 4.030 3.785 3.663 4.128 0.098 10 0 "[ . 1 . 2]" 1
1748 1 94 ILE MG 1 96 ASN H . . 5.180 4.517 4.159 4.840 . 0 0 "[ . 1 . 2]" 1
1749 1 95 GLU H 1 95 GLU HB2 . . 3.290 3.109 2.251 3.833 0.543 12 4 "[* .- 1 +* . 2]" 1
1750 1 95 GLU H 1 95 GLU HG2 . . 3.730 3.015 1.988 3.884 0.154 10 0 "[ . 1 . 2]" 1
1751 1 95 GLU H 1 95 GLU HG3 . . 3.790 3.129 2.620 3.545 . 0 0 "[ . 1 . 2]" 1
1752 1 95 GLU H 1 96 ASN H . . 3.370 2.472 1.941 2.926 . 0 0 "[ . 1 . 2]" 1
1753 1 95 GLU HA 1 95 GLU HB3 . . 3.000 2.430 2.359 2.573 . 0 0 "[ . 1 . 2]" 1
1754 1 95 GLU HA 1 95 GLU HG3 . . 3.830 3.510 2.308 4.038 0.208 4 0 "[ . 1 . 2]" 1
1755 1 95 GLU HB2 1 96 ASN H . . 4.310 4.084 2.814 4.431 0.121 12 0 "[ . 1 . 2]" 1
1756 1 95 GLU HB3 1 96 ASN H . . 4.350 4.336 3.613 4.428 0.078 15 0 "[ . 1 . 2]" 1
1757 1 95 GLU HG2 1 96 ASN H . . 4.990 4.386 2.467 5.209 0.219 10 0 "[ . 1 . 2]" 1
1758 1 95 GLU HG3 1 96 ASN H . . 5.500 4.461 3.193 5.330 . 0 0 "[ . 1 . 2]" 1
1759 1 96 ASN H 1 96 ASN HB2 . . 3.510 2.893 2.442 3.300 . 0 0 "[ . 1 . 2]" 1
1760 1 96 ASN H 1 96 ASN HB3 . . 3.830 3.795 3.423 3.914 0.084 12 0 "[ . 1 . 2]" 1
1761 1 96 ASN HA 1 96 ASN HD21 . . 4.850 3.759 2.075 4.360 . 0 0 "[ . 1 . 2]" 1
1762 1 96 ASN HA 1 96 ASN HD22 . . 4.270 4.373 3.577 4.892 0.622 11 3 "[ . 1+ *-. 2]" 1
1763 1 96 ASN HA 1 97 ASN H . . 3.010 2.406 2.183 2.640 . 0 0 "[ . 1 . 2]" 1
1764 1 96 ASN HA 1 97 ASN HB2 . . 5.500 4.556 4.345 4.742 . 0 0 "[ . 1 . 2]" 1
1765 1 96 ASN HB2 1 97 ASN H . . 3.730 3.674 3.254 3.823 0.093 17 0 "[ . 1 . 2]" 1
1766 1 96 ASN HB3 1 97 ASN H . . 3.270 2.551 2.269 2.980 . 0 0 "[ . 1 . 2]" 1
1767 1 97 ASN H 1 97 ASN HB2 . . 3.250 2.625 2.383 2.785 . 0 0 "[ . 1 . 2]" 1
1768 1 97 ASN H 1 97 ASN HB3 . . 3.100 2.487 2.345 2.818 . 0 0 "[ . 1 . 2]" 1
1769 1 97 ASN H 1 97 ASN HD21 . . 4.610 4.650 4.430 4.690 0.080 17 0 "[ . 1 . 2]" 1
1770 1 97 ASN H 1 98 PHE H . . 5.030 4.542 4.383 4.706 . 0 0 "[ . 1 . 2]" 1
1771 1 97 ASN HA 1 97 ASN HD21 . . 4.390 2.644 2.098 3.977 . 0 0 "[ . 1 . 2]" 1
1772 1 97 ASN HA 1 97 ASN HD22 . . 5.500 3.775 3.541 4.331 . 0 0 "[ . 1 . 2]" 1
1773 1 97 ASN HA 1 98 PHE H . . 2.920 2.209 2.058 2.363 . 0 0 "[ . 1 . 2]" 1
1774 1 97 ASN HB2 1 97 ASN HD21 . . 3.630 2.512 2.223 3.230 . 0 0 "[ . 1 . 2]" 1
1775 1 97 ASN HB3 1 98 PHE H . . 4.680 4.237 4.024 4.552 . 0 0 "[ . 1 . 2]" 1
1776 1 97 ASN HB3 1 100 ASP H . . 4.080 3.262 2.766 3.914 . 0 0 "[ . 1 . 2]" 1
1777 1 97 ASN HD21 1 99 GLU HB2 . . 5.250 4.490 3.296 5.315 0.065 17 0 "[ . 1 . 2]" 1
1778 1 97 ASN HD22 1 99 GLU HB2 . . 4.600 2.966 2.017 3.739 . 0 0 "[ . 1 . 2]" 1
1779 1 97 ASN HD22 1 99 GLU HG3 . . 5.500 4.609 3.253 5.558 0.058 17 0 "[ . 1 . 2]" 1
1780 1 98 PHE H 1 98 PHE HB2 . . 3.440 2.523 2.378 2.695 . 0 0 "[ . 1 . 2]" 1
1781 1 98 PHE H 1 98 PHE HB3 . . 3.580 2.390 2.217 2.511 . 0 0 "[ . 1 . 2]" 1
1782 1 98 PHE H 1 98 PHE QD . . 4.850 4.166 4.058 4.229 . 0 0 "[ . 1 . 2]" 1
1783 1 98 PHE H 1 99 GLU H . . 4.000 2.734 2.473 2.938 . 0 0 "[ . 1 . 2]" 1
1784 1 98 PHE H 1 100 ASP H . . 5.440 4.328 4.088 4.518 . 0 0 "[ . 1 . 2]" 1
1785 1 98 PHE HA 1 98 PHE QD . . 3.490 3.060 2.468 3.346 . 0 0 "[ . 1 . 2]" 1
1786 1 98 PHE HA 1 99 GLU HA . . 4.910 4.763 4.684 4.872 . 0 0 "[ . 1 . 2]" 1
1787 1 98 PHE HA 1 100 ASP H . . 4.740 4.274 3.819 4.683 . 0 0 "[ . 1 . 2]" 1
1788 1 98 PHE HA 1 101 MET H . . 4.360 3.619 3.300 4.024 . 0 0 "[ . 1 . 2]" 1
1789 1 98 PHE HA 1 101 MET QB . . 3.730 3.006 2.390 3.667 . 0 0 "[ . 1 . 2]" 1
1790 1 98 PHE HA 1 101 MET HG2 . . 4.480 3.804 1.930 4.669 0.189 20 0 "[ . 1 . 2]" 1
1791 1 98 PHE HA 1 101 MET HG3 . . 4.740 3.407 2.215 4.107 . 0 0 "[ . 1 . 2]" 1
1792 1 98 PHE HA 1 102 ILE MG . . 5.500 4.157 3.611 4.608 . 0 0 "[ . 1 . 2]" 1
1793 1 98 PHE HB2 1 99 GLU H . . 4.450 3.969 3.803 4.179 . 0 0 "[ . 1 . 2]" 1
1794 1 98 PHE HB3 1 99 GLU H . . 4.070 2.651 2.424 2.934 . 0 0 "[ . 1 . 2]" 1
1795 1 98 PHE QD 1 99 GLU H . . 4.970 3.269 2.902 3.487 . 0 0 "[ . 1 . 2]" 1
1796 1 98 PHE QD 1 99 GLU HA . . 4.360 2.914 2.588 3.321 . 0 0 "[ . 1 . 2]" 1
1797 1 98 PHE QD 1 99 GLU HG2 . . 5.180 3.406 2.877 4.058 . 0 0 "[ . 1 . 2]" 1
1798 1 98 PHE QD 1 99 GLU HG3 . . 5.450 2.523 2.282 2.762 . 0 0 "[ . 1 . 2]" 1
1799 1 98 PHE QE 1 99 GLU H . . 5.500 5.450 5.061 5.572 0.072 19 0 "[ . 1 . 2]" 1
1800 1 98 PHE QE 1 99 GLU HG2 . . 4.610 4.430 3.720 4.690 0.080 7 0 "[ . 1 . 2]" 1
1801 1 98 PHE QE 1 99 GLU HG3 . . 4.320 4.309 3.834 4.415 0.095 5 0 "[ . 1 . 2]" 1
1802 1 98 PHE QE 1 102 ILE MD . . 3.790 2.523 2.126 3.879 0.089 11 0 "[ . 1 . 2]" 1
1803 1 98 PHE QE 1 102 ILE HG12 . . 5.280 4.128 3.132 4.587 . 0 0 "[ . 1 . 2]" 1
1804 1 98 PHE QE 1 102 ILE HG13 . . 5.490 5.166 4.517 5.578 0.088 19 0 "[ . 1 . 2]" 1
1805 1 98 PHE QE 1 102 ILE MG . . 3.840 2.577 2.265 2.958 . 0 0 "[ . 1 . 2]" 1
1806 1 99 GLU H 1 99 GLU HB2 . . 3.280 2.240 2.086 2.390 . 0 0 "[ . 1 . 2]" 1
1807 1 99 GLU H 1 99 GLU HB3 . . 3.670 3.521 3.414 3.615 . 0 0 "[ . 1 . 2]" 1
1808 1 99 GLU H 1 99 GLU HG2 . . 4.000 3.867 3.569 4.079 0.079 4 0 "[ . 1 . 2]" 1
1809 1 99 GLU H 1 99 GLU HG3 . . 3.470 2.679 2.271 3.012 . 0 0 "[ . 1 . 2]" 1
1810 1 99 GLU H 1 100 ASP HA . . 5.500 5.387 5.221 5.516 0.016 8 0 "[ . 1 . 2]" 1
1811 1 99 GLU H 1 101 MET H . . 4.580 4.117 3.940 4.284 . 0 0 "[ . 1 . 2]" 1
1812 1 99 GLU H 1 102 ILE MD . . 5.500 4.670 4.260 5.299 . 0 0 "[ . 1 . 2]" 1
1813 1 99 GLU H 1 102 ILE HG12 . . 4.960 4.608 4.296 4.850 . 0 0 "[ . 1 . 2]" 1
1814 1 99 GLU H 1 102 ILE MG . . 5.240 5.068 4.577 5.333 0.093 15 0 "[ . 1 . 2]" 1
1815 1 99 GLU HA 1 99 GLU HG2 . . 3.550 2.396 2.174 2.635 . 0 0 "[ . 1 . 2]" 1
1816 1 99 GLU HA 1 99 GLU HG3 . . 3.990 2.613 2.257 3.043 . 0 0 "[ . 1 . 2]" 1
1817 1 99 GLU HA 1 101 MET H . . 4.030 3.840 3.582 4.081 0.051 20 0 "[ . 1 . 2]" 1
1818 1 99 GLU HA 1 102 ILE H . . 5.000 3.580 3.310 3.948 . 0 0 "[ . 1 . 2]" 1
1819 1 99 GLU HA 1 102 ILE MD . . 3.560 2.407 2.100 2.877 . 0 0 "[ . 1 . 2]" 1
1820 1 99 GLU HA 1 102 ILE HG12 . . 3.920 2.169 2.049 2.404 . 0 0 "[ . 1 . 2]" 1
1821 1 99 GLU HA 1 102 ILE HG13 . . 4.360 3.243 2.076 3.733 . 0 0 "[ . 1 . 2]" 1
1822 1 99 GLU HA 1 102 ILE MG . . 5.040 3.582 3.006 3.948 . 0 0 "[ . 1 . 2]" 1
1823 1 99 GLU HB2 1 100 ASP H . . 4.280 3.306 2.971 3.697 . 0 0 "[ . 1 . 2]" 1
1824 1 99 GLU HG2 1 102 ILE MD . . 5.480 2.607 2.239 3.424 . 0 0 "[ . 1 . 2]" 1
1825 1 100 ASP H 1 100 ASP HB2 . . 3.620 2.579 2.243 2.879 . 0 0 "[ . 1 . 2]" 1
1826 1 100 ASP H 1 100 ASP HB3 . . 3.320 2.742 2.298 3.608 0.288 6 0 "[ . 1 . 2]" 1
1827 1 100 ASP H 1 101 MET H . . 3.220 2.429 2.108 2.746 . 0 0 "[ . 1 . 2]" 1
1828 1 100 ASP H 1 101 MET HA . . 5.500 5.072 4.803 5.340 . 0 0 "[ . 1 . 2]" 1
1829 1 100 ASP H 1 101 MET QB . . 4.760 4.389 3.865 4.665 . 0 0 "[ . 1 . 2]" 1
1830 1 100 ASP H 1 101 MET HG2 . . 4.810 4.188 3.413 5.463 0.653 20 1 "[ . 1 . +]" 1
1831 1 100 ASP H 1 102 ILE H . . 4.640 4.148 3.773 4.627 . 0 0 "[ . 1 . 2]" 1
1832 1 100 ASP H 1 102 ILE HG12 . . 5.500 4.479 4.089 5.573 0.073 11 0 "[ . 1 . 2]" 1
1833 1 100 ASP H 1 102 ILE HG13 . . 5.500 5.423 4.610 5.570 0.070 9 0 "[ . 1 . 2]" 1
1834 1 100 ASP H 1 102 ILE MG . . 5.500 5.308 4.810 5.581 0.081 5 0 "[ . 1 . 2]" 1
1835 1 100 ASP HA 1 102 ILE H . . 4.020 4.043 3.870 4.100 0.080 18 0 "[ . 1 . 2]" 1
1836 1 100 ASP HB2 1 101 MET H . . 4.790 4.093 3.234 4.437 . 0 0 "[ . 1 . 2]" 1
1837 1 100 ASP HB3 1 101 MET H . . 4.280 3.390 3.048 4.209 . 0 0 "[ . 1 . 2]" 1
1838 1 101 MET H 1 101 MET QB . . 3.470 2.435 2.241 2.953 . 0 0 "[ . 1 . 2]" 1
1839 1 101 MET H 1 101 MET HG2 . . 3.940 2.715 2.158 3.600 . 0 0 "[ . 1 . 2]" 1
1840 1 101 MET H 1 101 MET HG3 . . 3.790 3.554 2.474 3.869 0.079 11 0 "[ . 1 . 2]" 1
1841 1 101 MET H 1 102 ILE H . . 3.220 2.374 1.972 2.758 . 0 0 "[ . 1 . 2]" 1
1842 1 101 MET H 1 102 ILE HG12 . . 4.670 3.636 3.267 4.625 . 0 0 "[ . 1 . 2]" 1
1843 1 101 MET H 1 102 ILE HG13 . . 5.370 4.625 3.401 5.294 . 0 0 "[ . 1 . 2]" 1
1844 1 101 MET H 1 102 ILE MG . . 4.650 3.922 3.529 4.267 . 0 0 "[ . 1 . 2]" 1
1845 1 101 MET HA 1 101 MET HG2 . . 3.790 2.925 2.358 3.808 0.018 5 0 "[ . 1 . 2]" 1
1846 1 101 MET HA 1 101 MET HG3 . . 3.790 3.716 2.989 3.852 0.062 15 0 "[ . 1 . 2]" 1
1847 1 101 MET HA 1 102 ILE MG . . 5.500 4.903 4.527 5.245 . 0 0 "[ . 1 . 2]" 1
1848 1 101 MET QB 1 102 ILE H . . 4.360 3.251 2.657 3.984 . 0 0 "[ . 1 . 2]" 1
1849 1 101 MET QB 1 102 ILE HA . . 5.200 4.176 3.403 4.819 . 0 0 "[ . 1 . 2]" 1
1850 1 101 MET QB 1 102 ILE MG . . 4.780 3.427 2.627 4.281 . 0 0 "[ . 1 . 2]" 1
1851 1 101 MET HG2 1 102 ILE H . . 5.500 4.492 2.935 5.064 . 0 0 "[ . 1 . 2]" 1
1852 1 102 ILE H 1 102 ILE HB . . 3.880 3.673 3.518 3.780 . 0 0 "[ . 1 . 2]" 1
1853 1 102 ILE H 1 102 ILE MD . . 3.810 3.681 3.286 3.885 0.075 15 0 "[ . 1 . 2]" 1
1854 1 102 ILE H 1 102 ILE HG12 . . 3.410 2.164 1.830 3.489 0.079 11 0 "[ . 1 . 2]" 1
1855 1 102 ILE H 1 102 ILE HG13 . . 3.680 2.719 1.930 3.420 . 0 0 "[ . 1 . 2]" 1
1856 1 102 ILE H 1 102 ILE MG . . 3.720 2.715 2.349 3.209 . 0 0 "[ . 1 . 2]" 1
1857 1 102 ILE HA 1 102 ILE HB . . 2.960 2.508 2.398 2.584 . 0 0 "[ . 1 . 2]" 1
1858 1 102 ILE HA 1 102 ILE MD . . 4.720 4.196 3.743 4.285 . 0 0 "[ . 1 . 2]" 1
1859 1 102 ILE HA 1 102 ILE HG12 . . 3.900 3.794 3.676 4.214 0.314 11 0 "[ . 1 . 2]" 1
1860 1 102 ILE HA 1 102 ILE MG . . 3.260 2.224 2.162 2.282 . 0 0 "[ . 1 . 2]" 1
1861 1 102 ILE HB 1 102 ILE MD . . 3.280 2.415 2.222 2.566 . 0 0 "[ . 1 . 2]" 1
1862 1 102 ILE MD 1 102 ILE MG . . 3.160 2.218 2.062 3.199 0.039 11 0 "[ . 1 . 2]" 1
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