data_nef_c16649_2kru save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB CtR69A stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 GLU middle . . 4 A 4 LEU middle . . 5 A 5 SER middle . . 6 A 6 TRP middle . . 7 A 7 THR middle . . 8 A 8 ALA middle . . 9 A 9 GLU middle . . 10 A 10 ALA middle . . 11 A 11 GLU middle . . 12 A 12 LYS middle . . 13 A 13 MET middle . . 14 A 14 LEU middle . . 15 A 15 GLY middle . false 16 A 16 LYS middle . . 17 A 17 VAL middle . . 18 A 18 PRO middle . false 19 A 19 PHE middle . . 20 A 20 PHE middle . . 21 A 21 VAL middle . . 22 A 22 ARG middle . . 23 A 23 LYS middle . . 24 A 24 LYS middle . . 25 A 25 VAL middle . . 26 A 26 ARG middle . . 27 A 27 LYS middle . . 28 A 28 ASN middle . . 29 A 29 THR middle . . 30 A 30 ASP middle . . 31 A 31 ASN middle . . 32 A 32 TYR middle . . 33 A 33 ALA middle . . 34 A 34 ARG middle . . 35 A 35 GLU middle . . 36 A 36 ILE middle . . 37 A 37 GLY middle . false 38 A 38 GLU middle . . 39 A 39 PRO middle . false 40 A 40 VAL middle . . 41 A 41 VAL middle . . 42 A 42 THR middle . . 43 A 43 ALA middle . . 44 A 44 ASP middle . . 45 A 45 VAL middle . . 46 A 46 PHE middle . . 47 A 47 ARG middle . . 48 A 48 LYS middle . . 49 A 49 ALA middle . . 50 A 50 LYS middle . . 51 A 51 GLU middle . . 52 A 52 HIS middle . . 53 A 53 LEU middle . . 54 A 54 GLY middle . false 55 A 55 GLY middle . false 56 A 56 LEU middle . . 57 A 57 GLU middle . . 58 A 58 HIS middle . . 59 A 59 HIS middle . . 60 A 60 HIS middle . . 61 A 61 HIS middle . . 62 A 62 HIS middle . . 63 A 63 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 GLU HA H 1 4.429 0.020 A 3 GLU HBy H 1 2.167 0.020 A 3 GLU HBx H 1 1.904 0.020 A 3 GLU HGx H 1 2.326 0.020 A 3 GLU HGy H 1 2.326 0.020 A 3 GLU C C 13 176.701 0.400 A 3 GLU CA C 13 55.895 0.400 A 3 GLU CB C 13 30.531 0.400 A 3 GLU CG C 13 36.047 0.400 A 4 LEU H H 1 8.616 0.020 A 4 LEU HA H 1 4.495 0.020 A 4 LEU HB2 H 1 1.769 0.020 A 4 LEU HB3 H 1 1.560 0.020 A 4 LEU HD1% H 1 0.870 0.020 A 4 LEU HD2% H 1 0.854 0.020 A 4 LEU HG H 1 1.703 0.020 A 4 LEU C C 13 177.998 0.400 A 4 LEU CA C 13 54.821 0.400 A 4 LEU CB C 13 42.562 0.400 A 4 LEU CD1 C 13 26.457 0.400 A 4 LEU CD2 C 13 23.481 0.400 A 4 LEU CG C 13 27.459 0.400 A 4 LEU N N 15 123.700 0.400 A 5 SER H H 1 8.787 0.020 A 5 SER HA H 1 4.701 0.020 A 5 SER HBx H 1 3.954 0.020 A 5 SER HBy H 1 3.954 0.020 A 5 SER C C 13 172.700 0.400 A 5 SER CA C 13 58.713 0.400 A 5 SER CB C 13 64.179 0.400 A 5 SER N N 15 118.879 0.400 A 6 TRP H H 1 8.882 0.020 A 6 TRP HA H 1 5.349 0.020 A 6 TRP HBx H 1 3.205 0.020 A 6 TRP HBy H 1 3.205 0.020 A 6 TRP HD1 H 1 7.364 0.020 A 6 TRP HE1 H 1 12.079 0.020 A 6 TRP HE3 H 1 7.003 0.020 A 6 TRP HH2 H 1 6.957 0.020 A 6 TRP HZ2 H 1 7.788 0.020 A 6 TRP HZ3 H 1 6.712 0.020 A 6 TRP C C 13 177.668 0.400 A 6 TRP CA C 13 56.000 0.400 A 6 TRP CB C 13 31.077 0.400 A 6 TRP CD1 C 13 125.216 0.400 A 6 TRP CE3 C 13 120.401 0.400 A 6 TRP CH2 C 13 121.795 0.400 A 6 TRP CZ2 C 13 115.365 0.400 A 6 TRP CZ3 C 13 121.674 0.400 A 6 TRP N N 15 124.139 0.400 A 6 TRP NE1 N 15 137.528 0.400 A 7 THR H H 1 8.441 0.020 A 7 THR HA H 1 4.472 0.020 A 7 THR HB H 1 4.940 0.020 A 7 THR HG1 H 1 5.430 0.020 A 7 THR HG2% H 1 1.345 0.020 A 7 THR C C 13 175.090 0.400 A 7 THR CA C 13 60.541 0.400 A 7 THR CB C 13 70.841 0.400 A 7 THR CG2 C 13 23.283 0.400 A 7 THR N N 15 112.035 0.400 A 8 ALA H H 1 9.025 0.020 A 8 ALA HA H 1 4.212 0.020 A 8 ALA HB% H 1 1.517 0.020 A 8 ALA C C 13 181.184 0.400 A 8 ALA CA C 13 55.100 0.400 A 8 ALA CB C 13 17.765 0.400 A 8 ALA N N 15 124.158 0.400 A 9 GLU H H 1 8.660 0.020 A 9 GLU HA H 1 4.019 0.020 A 9 GLU HBx H 1 1.941 0.020 A 9 GLU HBy H 1 2.149 0.020 A 9 GLU HGx H 1 2.343 0.020 A 9 GLU HGy H 1 2.343 0.020 A 9 GLU C C 13 178.840 0.400 A 9 GLU CA C 13 59.265 0.400 A 9 GLU CB C 13 29.945 0.400 A 9 GLU CG C 13 36.096 0.400 A 9 GLU N N 15 117.444 0.400 A 10 ALA H H 1 7.689 0.020 A 10 ALA HA H 1 3.979 0.020 A 10 ALA HB% H 1 1.353 0.020 A 10 ALA C C 13 179.661 0.400 A 10 ALA CA C 13 55.589 0.400 A 10 ALA CB C 13 18.841 0.400 A 10 ALA N N 15 122.877 0.400 A 11 GLU H H 1 8.799 0.020 A 11 GLU HA H 1 4.060 0.020 A 11 GLU HBx H 1 2.044 0.020 A 11 GLU HBy H 1 2.186 0.020 A 11 GLU HGy H 1 2.418 0.020 A 11 GLU HGx H 1 2.249 0.020 A 11 GLU C C 13 180.130 0.400 A 11 GLU CA C 13 59.594 0.400 A 11 GLU CB C 13 29.117 0.400 A 11 GLU CG C 13 36.368 0.400 A 11 GLU N N 15 117.919 0.400 A 12 LYS H H 1 8.033 0.020 A 12 LYS HA H 1 4.044 0.020 A 12 LYS HBx H 1 1.941 0.020 A 12 LYS HBy H 1 1.941 0.020 A 12 LYS HDx H 1 1.696 0.020 A 12 LYS HDy H 1 1.696 0.020 A 12 LYS HEx H 1 2.961 0.020 A 12 LYS HEy H 1 2.961 0.020 A 12 LYS HGy H 1 1.595 0.020 A 12 LYS HGx H 1 1.400 0.020 A 12 LYS C C 13 179.895 0.400 A 12 LYS CA C 13 59.156 0.400 A 12 LYS CB C 13 31.908 0.400 A 12 LYS CD C 13 29.170 0.400 A 12 LYS CE C 13 41.866 0.400 A 12 LYS CG C 13 25.067 0.400 A 12 LYS N N 15 120.960 0.400 A 13 MET H H 1 7.508 0.020 A 13 MET HA H 1 3.885 0.020 A 13 MET HBy H 1 1.903 0.020 A 13 MET HBx H 1 1.711 0.020 A 13 MET HE% H 1 2.129 0.020 A 13 MET HGy H 1 2.766 0.020 A 13 MET HGx H 1 2.451 0.020 A 13 MET C C 13 179.661 0.400 A 13 MET CA C 13 59.202 0.400 A 13 MET CB C 13 32.133 0.400 A 13 MET CE C 13 17.498 0.400 A 13 MET CG C 13 32.262 0.400 A 13 MET N N 15 119.117 0.400 A 14 LEU H H 1 8.153 0.020 A 14 LEU HA H 1 4.112 0.020 A 14 LEU HBx H 1 1.670 0.020 A 14 LEU HBy H 1 1.892 0.020 A 14 LEU HD1% H 1 1.019 0.020 A 14 LEU HD2% H 1 0.296 0.020 A 14 LEU HG H 1 1.432 0.020 A 14 LEU C C 13 178.254 0.400 A 14 LEU CA C 13 57.187 0.400 A 14 LEU CB C 13 41.063 0.400 A 14 LEU CD1 C 13 22.975 0.400 A 14 LEU CD2 C 13 25.385 0.400 A 14 LEU CG C 13 26.411 0.400 A 14 LEU N N 15 123.169 0.400 A 15 GLY H H 1 7.860 0.020 A 15 GLY HAx H 1 3.780 0.020 A 15 GLY HAy H 1 3.780 0.020 A 15 GLY C C 13 174.269 0.400 A 15 GLY CA C 13 45.966 0.400 A 15 GLY N N 15 103.709 0.400 A 16 LYS H H 1 7.231 0.020 A 16 LYS HA H 1 4.286 0.020 A 16 LYS HBy H 1 2.072 0.020 A 16 LYS HBx H 1 1.892 0.020 A 16 LYS HDx H 1 1.693 0.020 A 16 LYS HDy H 1 1.693 0.020 A 16 LYS HEx H 1 2.963 0.020 A 16 LYS HEy H 1 2.963 0.020 A 16 LYS HGy H 1 1.672 0.020 A 16 LYS HGx H 1 1.509 0.020 A 16 LYS C C 13 177.668 0.400 A 16 LYS CA C 13 55.953 0.400 A 16 LYS CB C 13 32.406 0.400 A 16 LYS CD C 13 28.599 0.400 A 16 LYS CE C 13 41.972 0.400 A 16 LYS CG C 13 24.815 0.400 A 16 LYS N N 15 116.661 0.400 A 17 VAL H H 1 7.844 0.020 A 17 VAL HA H 1 4.337 0.020 A 17 VAL HB H 1 2.533 0.020 A 17 VAL HG1% H 1 1.089 0.020 A 17 VAL HG2% H 1 1.311 0.020 A 17 VAL CA C 13 60.084 0.400 A 17 VAL CB C 13 31.965 0.400 A 17 VAL CG1 C 13 21.064 0.400 A 17 VAL CG2 C 13 21.960 0.400 A 17 VAL N N 15 123.284 0.400 A 18 PRO HA H 1 4.377 0.020 A 18 PRO HB2 H 1 1.620 0.020 A 18 PRO HB3 H 1 2.430 0.020 A 18 PRO HD2 H 1 3.493 0.020 A 18 PRO HD3 H 1 3.996 0.020 A 18 PRO HGx H 1 2.089 0.020 A 18 PRO HGy H 1 2.089 0.020 A 18 PRO C C 13 177.434 0.400 A 18 PRO CA C 13 63.500 0.400 A 18 PRO CB C 13 32.555 0.400 A 18 PRO CD C 13 50.974 0.400 A 18 PRO CG C 13 27.685 0.400 A 19 PHE H H 1 8.864 0.020 A 19 PHE HA H 1 3.873 0.020 A 19 PHE HBy H 1 3.278 0.020 A 19 PHE HBx H 1 3.057 0.020 A 19 PHE HD1 H 1 7.158 0.020 A 19 PHE HD2 H 1 7.158 0.020 A 19 PHE HE1 H 1 7.416 0.020 A 19 PHE HE2 H 1 7.416 0.020 A 19 PHE C C 13 177.199 0.400 A 19 PHE CA C 13 62.179 0.400 A 19 PHE CB C 13 39.212 0.400 A 19 PHE CD1 C 13 131.657 0.400 A 19 PHE CD2 C 13 131.657 0.400 A 19 PHE CE1 C 13 131.634 0.400 A 19 PHE CE2 C 13 131.634 0.400 A 19 PHE N N 15 123.212 0.400 A 20 PHE H H 1 8.012 0.020 A 20 PHE HA H 1 4.333 0.020 A 20 PHE HBy H 1 3.265 0.020 A 20 PHE HBx H 1 3.027 0.020 A 20 PHE HD1 H 1 7.214 0.020 A 20 PHE HD2 H 1 7.214 0.020 A 20 PHE HE1 H 1 7.368 0.020 A 20 PHE HE2 H 1 7.368 0.020 A 20 PHE C C 13 176.262 0.400 A 20 PHE CA C 13 59.390 0.400 A 20 PHE CB C 13 38.100 0.400 A 20 PHE CD1 C 13 131.746 0.400 A 20 PHE CD2 C 13 131.746 0.400 A 20 PHE CE1 C 13 130.363 0.400 A 20 PHE CE2 C 13 130.363 0.400 A 20 PHE N N 15 114.644 0.400 A 21 VAL H H 1 7.205 0.020 A 21 VAL HA H 1 4.599 0.020 A 21 VAL HB H 1 2.165 0.020 A 21 VAL HG1% H 1 0.722 0.020 A 21 VAL HG2% H 1 0.752 0.020 A 21 VAL C C 13 175.676 0.400 A 21 VAL CA C 13 60.489 0.400 A 21 VAL CB C 13 33.034 0.400 A 21 VAL CG1 C 13 21.046 0.400 A 21 VAL CG2 C 13 19.972 0.400 A 21 VAL N N 15 112.299 0.400 A 22 ARG H H 1 7.387 0.020 A 22 ARG HA H 1 3.563 0.020 A 22 ARG HBy H 1 1.889 0.020 A 22 ARG HBx H 1 1.557 0.020 A 22 ARG HDx H 1 3.130 0.020 A 22 ARG HDy H 1 3.130 0.020 A 22 ARG HE H 1 6.662 0.020 A 22 ARG HGx H 1 1.553 0.020 A 22 ARG HGy H 1 1.553 0.020 A 22 ARG C C 13 177.317 0.400 A 22 ARG CA C 13 61.224 0.400 A 22 ARG CB C 13 30.793 0.400 A 22 ARG CD C 13 44.088 0.400 A 22 ARG CG C 13 27.427 0.400 A 22 ARG N N 15 124.499 0.400 A 22 ARG NE N 15 83.763 0.400 A 23 LYS H H 1 8.301 0.020 A 23 LYS HA H 1 3.941 0.020 A 23 LYS HBx H 1 1.732 0.020 A 23 LYS HBy H 1 1.732 0.020 A 23 LYS HDx H 1 1.652 0.020 A 23 LYS HDy H 1 1.652 0.020 A 23 LYS HEx H 1 2.963 0.020 A 23 LYS HEy H 1 2.963 0.020 A 23 LYS HGx H 1 1.351 0.020 A 23 LYS HGy H 1 1.487 0.020 A 23 LYS C C 13 179.075 0.400 A 23 LYS CA C 13 59.606 0.400 A 23 LYS CB C 13 31.576 0.400 A 23 LYS CD C 13 29.164 0.400 A 23 LYS CE C 13 41.875 0.400 A 23 LYS CG C 13 25.049 0.400 A 23 LYS N N 15 117.133 0.400 A 24 LYS H H 1 7.569 0.020 A 24 LYS HA H 1 4.048 0.020 A 24 LYS HBx H 1 1.901 0.020 A 24 LYS HBy H 1 1.901 0.020 A 24 LYS HDx H 1 1.685 0.020 A 24 LYS HDy H 1 1.685 0.020 A 24 LYS HEx H 1 2.959 0.020 A 24 LYS HEy H 1 2.959 0.020 A 24 LYS HGy H 1 1.500 0.020 A 24 LYS HGx H 1 1.386 0.020 A 24 LYS C C 13 178.489 0.400 A 24 LYS CA C 13 59.080 0.400 A 24 LYS CB C 13 31.915 0.400 A 24 LYS CD C 13 29.214 0.400 A 24 LYS CE C 13 41.940 0.400 A 24 LYS CG C 13 24.946 0.400 A 24 LYS N N 15 121.315 0.400 A 25 VAL H H 1 8.266 0.020 A 25 VAL HA H 1 3.726 0.020 A 25 VAL HB H 1 2.111 0.020 A 25 VAL HG1% H 1 1.055 0.020 A 25 VAL HG2% H 1 1.111 0.020 A 25 VAL C C 13 179.778 0.400 A 25 VAL CA C 13 66.704 0.400 A 25 VAL CB C 13 31.352 0.400 A 25 VAL CG1 C 13 21.926 0.400 A 25 VAL CG2 C 13 23.339 0.400 A 25 VAL N N 15 120.177 0.400 A 26 ARG H H 1 8.809 0.020 A 26 ARG HA H 1 4.170 0.020 A 26 ARG HBx H 1 1.716 0.020 A 26 ARG HBy H 1 1.865 0.020 A 26 ARG HDy H 1 2.924 0.020 A 26 ARG HDx H 1 2.642 0.020 A 26 ARG HE H 1 7.076 0.020 A 26 ARG HGy H 1 1.510 0.020 A 26 ARG HGx H 1 1.160 0.020 A 26 ARG HH1x H 1 6.666 0.020 A 26 ARG HH1y H 1 6.666 0.020 A 26 ARG HH2x H 1 6.184 0.020 A 26 ARG HH2y H 1 6.184 0.020 A 26 ARG C C 13 177.584 0.400 A 26 ARG CA C 13 60.348 0.400 A 26 ARG CB C 13 29.878 0.400 A 26 ARG CD C 13 42.923 0.400 A 26 ARG CG C 13 27.581 0.400 A 26 ARG N N 15 124.742 0.400 A 26 ARG NE N 15 83.947 0.400 A 26 ARG NH1 N 15 71.269 0.400 A 26 ARG NH2 N 15 71.217 0.400 A 27 LYS H H 1 7.946 0.020 A 27 LYS HA H 1 4.275 0.020 A 27 LYS HBx H 1 1.979 0.020 A 27 LYS HBy H 1 1.979 0.020 A 27 LYS HDx H 1 1.760 0.020 A 27 LYS HDy H 1 1.760 0.020 A 27 LYS HEy H 1 3.015 0.020 A 27 LYS HEx H 1 2.961 0.020 A 27 LYS HGx H 1 1.520 0.020 A 27 LYS HGy H 1 1.595 0.020 A 27 LYS C C 13 179.075 0.400 A 27 LYS CA C 13 59.077 0.400 A 27 LYS CB C 13 31.928 0.400 A 27 LYS CD C 13 28.821 0.400 A 27 LYS CE C 13 41.940 0.400 A 27 LYS CG C 13 24.412 0.400 A 27 LYS N N 15 118.523 0.400 A 28 ASN H H 1 8.782 0.020 A 28 ASN HA H 1 4.580 0.020 A 28 ASN HBy H 1 2.937 0.020 A 28 ASN HBx H 1 2.813 0.020 A 28 ASN HD2y H 1 7.720 0.020 A 28 ASN HD2x H 1 6.934 0.020 A 28 ASN C C 13 178.606 0.400 A 28 ASN CA C 13 55.700 0.400 A 28 ASN CB C 13 38.226 0.400 A 28 ASN N N 15 117.451 0.400 A 28 ASN ND2 N 15 111.425 0.400 A 29 THR H H 1 8.641 0.020 A 29 THR HA H 1 4.728 0.020 A 29 THR HB H 1 3.827 0.020 A 29 THR HG1 H 1 4.808 0.020 A 29 THR HG2% H 1 1.060 0.020 A 29 THR C C 13 175.101 0.400 A 29 THR CA C 13 67.885 0.400 A 29 THR CB C 13 67.899 0.400 A 29 THR CG2 C 13 22.571 0.400 A 29 THR N N 15 120.396 0.400 A 30 ASP H H 1 8.871 0.020 A 30 ASP HA H 1 4.340 0.020 A 30 ASP HBy H 1 3.034 0.020 A 30 ASP HBx H 1 2.716 0.020 A 30 ASP C C 13 178.440 0.400 A 30 ASP CA C 13 57.709 0.400 A 30 ASP CB C 13 40.390 0.400 A 30 ASP N N 15 124.756 0.400 A 31 ASN H H 1 8.297 0.020 A 31 ASN HA H 1 4.433 0.020 A 31 ASN HBx H 1 2.948 0.020 A 31 ASN HBy H 1 3.005 0.020 A 31 ASN HD21 H 1 7.874 0.020 A 31 ASN HD22 H 1 6.917 0.020 A 31 ASN C C 13 177.668 0.400 A 31 ASN CA C 13 55.998 0.400 A 31 ASN CB C 13 38.004 0.400 A 31 ASN N N 15 116.200 0.400 A 31 ASN ND2 N 15 112.117 0.400 A 32 TYR H H 1 7.996 0.020 A 32 TYR HA H 1 4.181 0.020 A 32 TYR HBx H 1 3.113 0.020 A 32 TYR HBy H 1 3.176 0.020 A 32 TYR HD1 H 1 6.802 0.020 A 32 TYR HD2 H 1 6.802 0.020 A 32 TYR HE1 H 1 6.318 0.020 A 32 TYR HE2 H 1 6.318 0.020 A 32 TYR C C 13 176.145 0.400 A 32 TYR CA C 13 61.509 0.400 A 32 TYR CB C 13 38.257 0.400 A 32 TYR CD1 C 13 132.105 0.400 A 32 TYR CD2 C 13 132.105 0.400 A 32 TYR CE1 C 13 117.794 0.400 A 32 TYR CE2 C 13 117.794 0.400 A 32 TYR N N 15 122.561 0.400 A 33 ALA H H 1 8.652 0.020 A 33 ALA HA H 1 3.595 0.020 A 33 ALA HB% H 1 1.382 0.020 A 33 ALA C C 13 179.426 0.400 A 33 ALA CA C 13 55.178 0.400 A 33 ALA CB C 13 17.829 0.400 A 33 ALA N N 15 120.907 0.400 A 34 ARG H H 1 8.105 0.020 A 34 ARG HA H 1 4.037 0.020 A 34 ARG HBx H 1 1.823 0.020 A 34 ARG HBy H 1 1.940 0.020 A 34 ARG HDy H 1 3.282 0.020 A 34 ARG HDx H 1 3.200 0.020 A 34 ARG HE H 1 7.474 0.020 A 34 ARG HGx H 1 1.660 0.020 A 34 ARG HGy H 1 1.660 0.020 A 34 ARG C C 13 180.247 0.400 A 34 ARG CA C 13 59.244 0.400 A 34 ARG CB C 13 29.996 0.400 A 34 ARG CD C 13 43.272 0.400 A 34 ARG CG C 13 28.727 0.400 A 34 ARG N N 15 115.180 0.400 A 34 ARG NE N 15 85.188 0.400 A 35 GLU H H 1 7.965 0.020 A 35 GLU HA H 1 3.944 0.020 A 35 GLU HBx H 1 2.034 0.020 A 35 GLU HBy H 1 2.167 0.020 A 35 GLU HGy H 1 2.351 0.020 A 35 GLU HGx H 1 2.157 0.020 A 35 GLU C C 13 178.958 0.400 A 35 GLU CA C 13 59.352 0.400 A 35 GLU CB C 13 29.277 0.400 A 35 GLU CG C 13 36.133 0.400 A 35 GLU N N 15 121.590 0.400 A 36 ILE H H 1 7.575 0.020 A 36 ILE HA H 1 4.330 0.020 A 36 ILE HB H 1 1.994 0.020 A 36 ILE HD1% H 1 0.712 0.020 A 36 ILE HG1y H 1 1.076 0.020 A 36 ILE HG1x H 1 1.017 0.020 A 36 ILE HG2% H 1 0.433 0.020 A 36 ILE C C 13 176.496 0.400 A 36 ILE CA C 13 61.316 0.400 A 36 ILE CB C 13 37.760 0.400 A 36 ILE CD1 C 13 14.938 0.400 A 36 ILE CG1 C 13 25.922 0.400 A 36 ILE CG2 C 13 16.925 0.400 A 36 ILE N N 15 109.787 0.400 A 37 GLY H H 1 7.622 0.020 A 37 GLY HAy H 1 4.005 0.020 A 37 GLY HAx H 1 3.755 0.020 A 37 GLY C C 13 175.207 0.400 A 37 GLY CA C 13 46.300 0.400 A 37 GLY N N 15 111.259 0.400 A 38 GLU H H 1 8.239 0.020 A 38 GLU HA H 1 4.767 0.020 A 38 GLU HB2 H 1 1.480 0.020 A 38 GLU HB3 H 1 1.993 0.020 A 38 GLU HGy H 1 2.214 0.020 A 38 GLU HGx H 1 2.102 0.020 A 38 GLU CA C 13 52.674 0.400 A 38 GLU CB C 13 29.857 0.400 A 38 GLU CG C 13 34.983 0.400 A 38 GLU N N 15 121.562 0.400 A 39 PRO HA H 1 4.410 0.020 A 39 PRO HBy H 1 2.206 0.020 A 39 PRO HBx H 1 2.041 0.020 A 39 PRO HD2 H 1 4.107 0.020 A 39 PRO HD3 H 1 3.802 0.020 A 39 PRO HGy H 1 2.116 0.020 A 39 PRO HGx H 1 1.990 0.020 A 39 PRO C C 13 175.441 0.400 A 39 PRO CA C 13 63.278 0.400 A 39 PRO CB C 13 32.248 0.400 A 39 PRO CD C 13 50.695 0.400 A 39 PRO CG C 13 26.676 0.400 A 40 VAL H H 1 7.319 0.020 A 40 VAL HA H 1 4.413 0.020 A 40 VAL HB H 1 1.766 0.020 A 40 VAL HG1% H 1 0.704 0.020 A 40 VAL HG2% H 1 0.819 0.020 A 40 VAL C C 13 175.676 0.400 A 40 VAL CA C 13 59.900 0.400 A 40 VAL CB C 13 36.442 0.400 A 40 VAL CG1 C 13 20.942 0.400 A 40 VAL CG2 C 13 21.102 0.400 A 40 VAL N N 15 116.729 0.400 A 41 VAL H H 1 8.948 0.020 A 41 VAL HA H 1 3.343 0.020 A 41 VAL HB H 1 0.507 0.020 A 41 VAL HG1% H 1 -0.572 0.020 A 41 VAL HG2% H 1 0.335 0.020 A 41 VAL C C 13 173.449 0.400 A 41 VAL CA C 13 64.048 0.400 A 41 VAL CB C 13 29.335 0.400 A 41 VAL CG1 C 13 20.106 0.400 A 41 VAL CG2 C 13 20.677 0.400 A 41 VAL N N 15 126.447 0.400 A 42 THR H H 1 6.286 0.020 A 42 THR HA H 1 4.790 0.020 A 42 THR HB H 1 4.843 0.020 A 42 THR HG1 H 1 6.056 0.020 A 42 THR HG2% H 1 1.235 0.020 A 42 THR C C 13 175.207 0.400 A 42 THR CA C 13 58.800 0.400 A 42 THR CB C 13 71.183 0.400 A 42 THR CG2 C 13 21.685 0.400 A 42 THR N N 15 116.214 0.400 A 43 ALA H H 1 8.989 0.020 A 43 ALA HA H 1 3.931 0.020 A 43 ALA HB% H 1 1.371 0.020 A 43 ALA C C 13 178.958 0.400 A 43 ALA CA C 13 55.857 0.400 A 43 ALA CB C 13 18.500 0.400 A 43 ALA N N 15 123.069 0.400 A 44 ASP H H 1 8.202 0.020 A 44 ASP HA H 1 4.443 0.020 A 44 ASP HBy H 1 2.608 0.020 A 44 ASP HBx H 1 2.526 0.020 A 44 ASP C C 13 178.254 0.400 A 44 ASP CA C 13 57.457 0.400 A 44 ASP CB C 13 41.183 0.400 A 44 ASP N N 15 116.002 0.400 A 45 VAL H H 1 7.465 0.020 A 45 VAL HA H 1 3.541 0.020 A 45 VAL HB H 1 2.103 0.020 A 45 VAL HG1% H 1 0.938 0.020 A 45 VAL HG2% H 1 1.172 0.020 A 45 VAL C C 13 176.848 0.400 A 45 VAL CA C 13 66.730 0.400 A 45 VAL CB C 13 31.404 0.400 A 45 VAL CG1 C 13 21.764 0.400 A 45 VAL CG2 C 13 22.973 0.400 A 45 VAL N N 15 120.042 0.400 A 46 PHE H H 1 8.435 0.020 A 46 PHE HA H 1 3.869 0.020 A 46 PHE HB2 H 1 2.654 0.020 A 46 PHE HB3 H 1 3.332 0.020 A 46 PHE HD1 H 1 7.290 0.020 A 46 PHE HD2 H 1 7.290 0.020 A 46 PHE HE1 H 1 7.310 0.020 A 46 PHE HE2 H 1 7.310 0.020 A 46 PHE HZ H 1 7.075 0.020 A 46 PHE C C 13 177.317 0.400 A 46 PHE CA C 13 61.452 0.400 A 46 PHE CB C 13 38.783 0.400 A 46 PHE CD1 C 13 132.272 0.400 A 46 PHE CD2 C 13 132.272 0.400 A 46 PHE CE1 C 13 130.652 0.400 A 46 PHE CE2 C 13 130.652 0.400 A 46 PHE CZ C 13 128.851 0.400 A 46 PHE N N 15 119.773 0.400 A 47 ARG H H 1 8.345 0.020 A 47 ARG HA H 1 3.805 0.020 A 47 ARG HBx H 1 1.959 0.020 A 47 ARG HBy H 1 1.959 0.020 A 47 ARG HDx H 1 3.252 0.020 A 47 ARG HDy H 1 3.252 0.020 A 47 ARG HE H 1 7.359 0.020 A 47 ARG HGy H 1 1.918 0.020 A 47 ARG HGx H 1 1.607 0.020 A 47 ARG C C 13 179.075 0.400 A 47 ARG CA C 13 60.100 0.400 A 47 ARG CB C 13 30.100 0.400 A 47 ARG CD C 13 43.277 0.400 A 47 ARG CG C 13 28.478 0.400 A 47 ARG N N 15 118.082 0.400 A 47 ARG NE N 15 84.020 0.400 A 48 LYS H H 1 8.168 0.020 A 48 LYS HA H 1 3.946 0.020 A 48 LYS HBy H 1 2.065 0.020 A 48 LYS HBx H 1 1.920 0.020 A 48 LYS HDx H 1 1.612 0.020 A 48 LYS HDy H 1 1.673 0.020 A 48 LYS HEx H 1 2.964 0.020 A 48 LYS HEy H 1 2.964 0.020 A 48 LYS HGy H 1 1.685 0.020 A 48 LYS HGx H 1 1.494 0.020 A 48 LYS C C 13 179.192 0.400 A 48 LYS CA C 13 59.419 0.400 A 48 LYS CB C 13 32.272 0.400 A 48 LYS CD C 13 29.163 0.400 A 48 LYS CE C 13 41.936 0.400 A 48 LYS CG C 13 25.766 0.400 A 48 LYS N N 15 120.101 0.400 A 49 ALA H H 1 8.583 0.020 A 49 ALA HA H 1 2.838 0.020 A 49 ALA HB% H 1 1.315 0.020 A 49 ALA C C 13 178.958 0.400 A 49 ALA CA C 13 54.500 0.400 A 49 ALA CB C 13 18.983 0.400 A 49 ALA N N 15 123.229 0.400 A 50 LYS H H 1 7.726 0.020 A 50 LYS HA H 1 3.713 0.020 A 50 LYS HBy H 1 1.727 0.020 A 50 LYS HBx H 1 1.563 0.020 A 50 LYS HDx H 1 1.542 0.020 A 50 LYS HDy H 1 1.542 0.020 A 50 LYS HEx H 1 2.818 0.020 A 50 LYS HEy H 1 2.818 0.020 A 50 LYS HGy H 1 1.292 0.020 A 50 LYS HGx H 1 1.197 0.020 A 50 LYS C C 13 179.192 0.400 A 50 LYS CA C 13 59.097 0.400 A 50 LYS CB C 13 32.061 0.400 A 50 LYS CD C 13 29.488 0.400 A 50 LYS CE C 13 41.808 0.400 A 50 LYS CG C 13 24.349 0.400 A 50 LYS N N 15 118.089 0.400 A 51 GLU H H 1 7.615 0.020 A 51 GLU HA H 1 4.009 0.020 A 51 GLU HBx H 1 1.997 0.020 A 51 GLU HBy H 1 1.997 0.020 A 51 GLU HGy H 1 2.337 0.020 A 51 GLU HGx H 1 2.164 0.020 A 51 GLU C C 13 177.903 0.400 A 51 GLU CA C 13 58.312 0.400 A 51 GLU CB C 13 29.500 0.400 A 51 GLU CG C 13 35.996 0.400 A 51 GLU N N 15 117.891 0.400 A 52 HIS H H 1 7.952 0.020 A 52 HIS HA H 1 4.373 0.020 A 52 HIS HBy H 1 2.970 0.020 A 52 HIS HBx H 1 2.905 0.020 A 52 HIS HD2 H 1 6.949 0.020 A 52 HIS HE1 H 1 8.246 0.020 A 52 HIS C C 13 176.425 0.400 A 52 HIS CA C 13 58.037 0.400 A 52 HIS CB C 13 29.746 0.400 A 52 HIS CD2 C 13 120.106 0.400 A 52 HIS CE1 C 13 137.789 0.400 A 52 HIS N N 15 118.521 0.400 A 52 HIS ND1 N 15 200.878 0.400 A 52 HIS NE2 N 15 178.265 0.400 A 53 LEU H H 1 8.202 0.020 A 53 LEU HA H 1 4.085 0.020 A 53 LEU HBy H 1 1.673 0.020 A 53 LEU HBx H 1 1.529 0.020 A 53 LEU HD1% H 1 0.813 0.020 A 53 LEU HD2% H 1 0.855 0.020 A 53 LEU HG H 1 1.659 0.020 A 53 LEU C C 13 178.440 0.400 A 53 LEU CA C 13 55.976 0.400 A 53 LEU CB C 13 41.641 0.400 A 53 LEU CD1 C 13 25.070 0.400 A 53 LEU CD2 C 13 22.987 0.400 A 53 LEU CG C 13 26.765 0.400 A 53 LEU N N 15 119.567 0.400 A 54 GLY H H 1 7.918 0.020 A 54 GLY HAx H 1 3.926 0.020 A 54 GLY HAy H 1 3.926 0.020 A 54 GLY C C 13 174.972 0.400 A 54 GLY CA C 13 45.648 0.400 A 54 GLY N N 15 107.321 0.400 A 55 GLY H H 1 8.056 0.020 A 55 GLY HAx H 1 3.946 0.020 A 55 GLY HAy H 1 3.946 0.020 A 55 GLY C C 13 174.621 0.400 A 55 GLY CA C 13 45.478 0.400 A 55 GLY N N 15 108.267 0.400 A 56 LEU H H 1 7.944 0.020 A 56 LEU HA H 1 4.223 0.020 A 56 LEU HBx H 1 1.524 0.020 A 56 LEU HBy H 1 1.629 0.020 A 56 LEU HD1% H 1 0.863 0.020 A 56 LEU HD2% H 1 0.801 0.020 A 56 LEU HG H 1 1.577 0.020 A 56 LEU C C 13 177.551 0.400 A 56 LEU CA C 13 55.452 0.400 A 56 LEU CB C 13 42.159 0.400 A 56 LEU CD1 C 13 25.108 0.400 A 56 LEU CD2 C 13 23.272 0.400 A 56 LEU CG C 13 26.524 0.400 A 56 LEU N N 15 120.653 0.400 A 57 GLU H H 1 8.284 0.020 A 57 GLU HA H 1 4.154 0.020 A 57 GLU HBx H 1 1.883 0.020 A 57 GLU HBy H 1 1.883 0.020 A 57 GLU HGx H 1 2.116 0.020 A 57 GLU HGy H 1 2.199 0.020 A 57 GLU C C 13 176.262 0.400 A 57 GLU CA C 13 56.677 0.400 A 57 GLU CB C 13 29.846 0.400 A 57 GLU CG C 13 35.989 0.400 A 57 GLU N N 15 119.635 0.400 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 LEU HD1% A 4 LEU H 1.0 0.0 5.50 2 2 A 4 LEU HD2% A 4 LEU H 1.0 0.0 5.50 3 3 A 4 LEU HD2% A 5 SER H 1.0 0.0 5.06 4 4 A 40 VAL HG2% A 5 SER H 1.0 0.0 5.50 5 5 A 5 SER H A 4 LEU HB3 1.0 0.0 4.34 6 6 A 4 LEU HA A 5 SER H 1.0 0.0 3.45 7 7 A 6 TRP HBy A 6 TRP H 1.0 0.0 3.63 8 7 A 6 TRP H A 6 TRP HBx 1.0 0.0 3.63 9 8 A 5 SER HBy A 6 TRP H 1.0 0.0 3.99 10 8 A 6 TRP H A 5 SER HBx 1.0 0.0 3.99 11 9 A 5 SER HA A 6 TRP H 1.0 0.0 3.25 12 10 A 6 TRP HD1 A 6 TRP H 1.0 0.0 3.79 13 11 A 6 TRP HE1 A 41 VAL HG2% 1.0 0.0 4.04 14 12 A 6 TRP HE1 A 41 VAL HB 1.0 0.0 5.04 15 13 A 6 TRP HE1 A 26 ARG HGx 1.0 0.0 5.50 16 14 A 6 TRP HE1 A 4 LEU HB3 1.0 0.0 5.50 17 15 A 6 TRP HE1 A 26 ARG HGy 1.0 0.0 5.50 18 16 A 6 TRP HE1 A 4 LEU HB2 1.0 0.0 5.17 19 17 A 6 TRP HE1 A 30 ASP HA 1.0 0.0 5.50 20 18 A 6 TRP H A 7 THR H 1.0 0.0 4.96 21 19 A 6 TRP HE1 A 30 ASP H 1.0 0.0 5.50 22 20 A 41 VAL HG1% A 7 THR H 1.0 0.0 5.50 23 21 A 41 VAL HB A 7 THR H 1.0 0.0 5.07 24 22 A 10 ALA HB% A 7 THR H 1.0 0.0 3.93 25 23 A 6 TRP HBy A 7 THR H 1.0 0.0 4.07 26 23 A 7 THR H A 6 TRP HBx 1.0 0.0 4.07 27 24 A 6 TRP HA A 7 THR H 1.0 0.0 3.33 28 25 A 7 THR H A 41 VAL H 1.0 0.0 5.50 29 26 A 7 THR HG2% A 8 ALA H 1.0 0.0 4.59 30 27 A 8 ALA HB% A 8 ALA H 1.0 0.0 3.45 31 28 A 7 THR HB A 8 ALA H 1.0 0.0 3.68 32 29 A 7 THR HG1 A 8 ALA H 1.0 0.0 5.50 33 30 A 8 ALA H A 10 ALA H 1.0 0.0 5.50 34 31 A 7 THR H A 8 ALA H 1.0 0.0 5.50 35 32 A 8 ALA H A 9 GLU H 1.0 0.0 4.20 36 33 A 10 ALA HB% A 9 GLU H 1.0 0.0 5.50 37 34 A 9 GLU HBx A 9 GLU H 1.0 0.0 3.81 38 35 A 7 THR HA A 9 GLU H 1.0 0.0 5.44 39 36 A 7 THR HB A 9 GLU H 1.0 0.0 4.13 40 37 A 7 THR HG1 A 9 GLU H 1.0 0.0 4.45 41 38 A 10 ALA H A 9 GLU H 1.0 0.0 3.86 42 39 A 9 GLU HGy A 10 ALA H 1.0 0.0 5.50 43 39 A 10 ALA H A 9 GLU HGx 1.0 0.0 5.50 44 40 A 42 THR HA A 10 ALA H 1.0 0.0 5.24 45 41 A 7 THR HB A 10 ALA H 1.0 0.0 4.98 46 42 A 7 THR HG1 A 10 ALA H 1.0 0.0 4.03 47 43 A 7 THR H A 10 ALA H 1.0 0.0 5.16 48 44 A 11 GLU HBx A 11 GLU H 1.0 0.0 4.16 49 45 A 11 GLU H A 11 GLU HBy 1.0 0.0 4.16 50 46 A 11 GLU H A 11 GLU HGx 1.0 0.0 4.43 51 47 A 6 TRP HBy A 11 GLU H 1.0 0.0 4.94 52 47 A 11 GLU H A 6 TRP HBx 1.0 0.0 4.94 53 48 A 10 ALA H A 11 GLU H 1.0 0.0 3.70 54 49 A 11 GLU H A 12 LYS H 1.0 0.0 3.82 55 50 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.82 56 51 A 13 MET H A 13 MET HGx 1.0 0.0 4.27 57 52 A 10 ALA HA A 13 MET H 1.0 0.0 4.79 58 53 A 12 LYS H A 13 MET H 1.0 0.0 3.72 59 54 A 11 GLU H A 13 MET H 1.0 0.0 5.34 60 55 A 14 LEU HD2% A 14 LEU H 1.0 0.0 5.23 61 56 A 14 LEU HG A 14 LEU H 1.0 0.0 5.19 62 57 A 10 ALA HB% A 14 LEU H 1.0 0.0 5.50 63 58 A 14 LEU H A 13 MET HGx 1.0 0.0 5.50 64 59 A 6 TRP HZ3 A 14 LEU H 1.0 0.0 5.01 65 60 A 46 PHE HE% A 14 LEU H 1.0 0.0 5.50 66 61 A 13 MET H A 14 LEU H 1.0 0.0 3.81 67 62 A 14 LEU HD2% A 15 GLY H 1.0 0.0 5.50 68 63 A 14 LEU HD1% A 15 GLY H 1.0 0.0 5.50 69 64 A 14 LEU HG A 15 GLY H 1.0 0.0 5.45 70 65 A 15 GLY H A 14 LEU HBy 1.0 0.0 4.66 71 66 A 12 LYS HA A 15 GLY H 1.0 0.0 5.35 72 67 A 14 LEU H A 15 GLY H 1.0 0.0 3.90 73 68 A 16 LYS H A 16 LYS HGx 1.0 0.0 4.39 74 69 A 16 LYS HDy A 16 LYS H 1.0 0.0 5.03 75 69 A 16 LYS H A 16 LYS HDx 1.0 0.0 5.03 76 70 A 17 VAL HB A 16 LYS H 1.0 0.0 5.50 77 71 A 14 LEU HA A 16 LYS H 1.0 0.0 5.03 78 72 A 15 GLY H A 16 LYS H 1.0 0.0 3.72 79 73 A 14 LEU H A 16 LYS H 1.0 0.0 5.22 80 74 A 17 VAL HG2% A 17 VAL H 1.0 0.0 3.59 81 75 A 17 VAL H A 16 LYS HBx 1.0 0.0 5.02 82 76 A 16 LYS HBy A 17 VAL H 1.0 0.0 5.02 83 77 A 17 VAL HB A 17 VAL H 1.0 0.0 3.51 84 78 A 18 PRO HD2 A 17 VAL H 1.0 0.0 5.50 85 79 A 15 GLY HAy A 17 VAL H 1.0 0.0 5.12 86 79 A 17 VAL H A 15 GLY HAx 1.0 0.0 5.12 87 80 A 22 ARG HE A 17 VAL H 1.0 0.0 5.32 88 81 A 16 LYS H A 17 VAL H 1.0 0.0 3.54 89 82 A 19 PHE H A 18 PRO HGx 1.0 0.0 5.50 90 82 A 18 PRO HGy A 19 PHE H 1.0 0.0 5.50 91 83 A 19 PHE H A 19 PHE HBx 1.0 0.0 4.04 92 84 A 19 PHE HD% A 19 PHE H 1.0 0.0 5.32 93 85 A 21 VAL HG2% A 20 PHE H 1.0 0.0 5.50 94 86 A 21 VAL HG1% A 20 PHE H 1.0 0.0 5.50 95 87 A 18 PRO HB2 A 20 PHE H 1.0 0.0 5.31 96 88 A 20 PHE H A 18 PRO HB3 1.0 0.0 5.50 97 89 A 19 PHE H A 20 PHE H 1.0 0.0 5.25 98 90 A 21 VAL H A 22 ARG HBy 1.0 0.0 5.50 99 91 A 18 PRO HGy A 21 VAL H 1.0 0.0 4.92 100 91 A 21 VAL H A 18 PRO HGx 1.0 0.0 4.92 101 92 A 21 VAL H A 20 PHE HBx 1.0 0.0 5.50 102 93 A 20 PHE HBy A 21 VAL H 1.0 0.0 5.50 103 94 A 22 ARG HA A 21 VAL H 1.0 0.0 5.50 104 95 A 19 PHE HA A 21 VAL H 1.0 0.0 5.50 105 96 A 21 VAL H A 22 ARG H 1.0 0.0 3.20 106 97 A 20 PHE H A 21 VAL H 1.0 0.0 3.94 107 98 A 21 VAL HG2% A 22 ARG H 1.0 0.0 4.42 108 99 A 17 VAL HG1% A 22 ARG H 1.0 0.0 4.72 109 100 A 22 ARG HDy A 22 ARG H 1.0 0.0 5.50 110 100 A 22 ARG H A 22 ARG HDx 1.0 0.0 5.50 111 101 A 19 PHE HA A 22 ARG H 1.0 0.0 4.60 112 102 A 20 PHE HA A 22 ARG H 1.0 0.0 5.38 113 103 A 17 VAL HG2% A 22 ARG HE 1.0 0.0 5.49 114 104 A 22 ARG HE A 22 ARG HGx 1.0 0.0 4.14 115 104 A 22 ARG HE A 22 ARG HGy 1.0 0.0 4.14 116 105 A 17 VAL HB A 22 ARG HE 1.0 0.0 5.18 117 106 A 22 ARG HE A 15 GLY HAx 1.0 0.0 5.50 118 106 A 15 GLY HAy A 22 ARG HE 1.0 0.0 5.50 119 107 A 22 ARG HE A 19 PHE HA 1.0 0.0 5.30 120 108 A 22 ARG H A 23 LYS H 1.0 0.0 4.64 121 109 A 25 VAL HG2% A 24 LYS H 1.0 0.0 5.10 122 110 A 23 LYS HBy A 24 LYS H 1.0 0.0 3.82 123 110 A 24 LYS H A 23 LYS HBx 1.0 0.0 3.82 124 111 A 24 LYS HBy A 24 LYS H 1.0 0.0 3.29 125 111 A 24 LYS H A 24 LYS HBx 1.0 0.0 3.29 126 112 A 21 VAL HB A 24 LYS H 1.0 0.0 5.36 127 113 A 25 VAL HB A 24 LYS H 1.0 0.0 5.50 128 114 A 22 ARG HA A 24 LYS H 1.0 0.0 5.50 129 115 A 23 LYS H A 24 LYS H 1.0 0.0 3.95 130 116 A 24 LYS H A 26 ARG H 1.0 0.0 5.31 131 117 A 22 ARG HA A 25 VAL H 1.0 0.0 4.65 132 118 A 24 LYS H A 25 VAL H 1.0 0.0 3.75 133 119 A 26 ARG H A 25 VAL H 1.0 0.0 3.81 134 120 A 22 ARG HGy A 26 ARG H 1.0 0.0 5.50 135 120 A 26 ARG H A 22 ARG HGx 1.0 0.0 5.50 136 121 A 26 ARG H A 26 ARG HBx 1.0 0.0 3.67 137 122 A 25 VAL HB A 26 ARG H 1.0 0.0 3.95 138 123 A 22 ARG HA A 26 ARG H 1.0 0.0 5.31 139 124 A 27 LYS HGx A 27 LYS H 1.0 0.0 5.50 140 125 A 27 LYS H A 27 LYS HGy 1.0 0.0 5.50 141 126 A 27 LYS H A 26 ARG HBx 1.0 0.0 4.61 142 127 A 51 GLU HBy A 52 HIS H 1.0 0.0 4.25 143 127 A 52 HIS H A 51 GLU HBx 1.0 0.0 4.25 144 128 A 52 HIS H A 51 GLU H 1.0 0.0 3.82 145 129 A 26 ARG H A 27 LYS H 1.0 0.0 3.95 146 130 A 27 LYS H A 28 ASN H 1.0 0.0 3.85 147 131 A 25 VAL HG1% A 28 ASN H 1.0 0.0 5.50 148 132 A 29 THR HG2% A 28 ASN H 1.0 0.0 5.50 149 133 A 28 ASN H A 28 ASN HBy 1.0 0.0 4.15 150 134 A 29 THR H A 27 LYS HBx 1.0 0.0 5.29 151 134 A 27 LYS HBy A 29 THR H 1.0 0.0 5.29 152 135 A 25 VAL HA A 29 THR H 1.0 0.0 5.31 153 136 A 29 THR HG1 A 29 THR H 1.0 0.0 3.20 154 137 A 28 ASN H A 29 THR H 1.0 0.0 3.95 155 138 A 30 ASP H A 29 THR H 1.0 0.0 3.67 156 139 A 29 THR HG2% A 30 ASP H 1.0 0.0 4.58 157 140 A 29 THR HG1 A 30 ASP H 1.0 0.0 3.97 158 141 A 30 ASP H A 32 TYR H 1.0 0.0 4.86 159 142 A 29 THR H A 31 ASN H 1.0 0.0 5.50 160 143 A 31 ASN H A 33 ALA H 1.0 0.0 5.50 161 144 A 30 ASP H A 31 ASN H 1.0 0.0 3.87 162 145 A 31 ASN HD22 A 27 LYS HGx 1.0 0.0 5.50 163 146 A 31 ASN HD22 A 27 LYS HGy 1.0 0.0 5.50 164 147 A 31 ASN HD21 A 27 LYS HGx 1.0 0.0 5.50 165 148 A 31 ASN HD21 A 28 ASN HA 1.0 0.0 4.64 166 149 A 31 ASN HD22 A 28 ASN HA 1.0 0.0 5.50 167 150 A 6 TRP HE1 A 29 THR HG1 1.0 0.0 5.20 168 151 A 29 THR HG2% A 32 TYR H 1.0 0.0 5.50 169 152 A 33 ALA HB% A 32 TYR H 1.0 0.0 4.99 170 153 A 32 TYR H A 31 ASN HBx 1.0 0.0 5.11 171 154 A 32 TYR HBx A 32 TYR H 1.0 0.0 4.06 172 155 A 30 ASP HA A 32 TYR H 1.0 0.0 5.50 173 156 A 32 TYR HD% A 32 TYR H 1.0 0.0 4.23 174 157 A 28 ASN HA A 32 TYR H 1.0 0.0 5.50 175 158 A 32 TYR H A 31 ASN H 1.0 0.0 3.98 176 159 A 41 VAL HG2% A 33 ALA H 1.0 0.0 5.32 177 160 A 4 LEU HD1% A 33 ALA H 1.0 0.0 5.50 178 161 A 45 VAL HG1% A 33 ALA H 1.0 0.0 5.50 179 162 A 33 ALA HB% A 33 ALA H 1.0 0.0 3.37 180 163 A 30 ASP HA A 33 ALA H 1.0 0.0 4.59 181 164 A 32 TYR HD% A 33 ALA H 1.0 0.0 4.13 182 165 A 32 TYR H A 33 ALA H 1.0 0.0 3.82 183 166 A 33 ALA H A 34 ARG H 1.0 0.0 3.99 184 167 A 4 LEU HD1% A 34 ARG H 1.0 0.0 4.77 185 168 A 33 ALA HB% A 34 ARG H 1.0 0.0 3.85 186 169 A 30 ASP HA A 34 ARG H 1.0 0.0 5.16 187 170 A 31 ASN HA A 34 ARG H 1.0 0.0 4.74 188 171 A 34 ARG H A 36 ILE H 1.0 0.0 5.07 189 172 A 33 ALA HB% A 35 GLU H 1.0 0.0 5.50 190 173 A 35 GLU HBx A 35 GLU H 1.0 0.0 3.78 191 174 A 35 GLU HGy A 35 GLU H 1.0 0.0 4.94 192 175 A 32 TYR HA A 35 GLU H 1.0 0.0 4.59 193 176 A 31 ASN HA A 35 GLU H 1.0 0.0 5.50 194 177 A 36 ILE H A 36 ILE HG1x 1.0 0.0 4.36 195 178 A 35 GLU HBx A 36 ILE H 1.0 0.0 4.55 196 179 A 36 ILE H A 35 GLU HBy 1.0 0.0 4.55 197 180 A 36 ILE H A 35 GLU H 1.0 0.0 3.84 198 181 A 36 ILE H A 38 GLU H 1.0 0.0 5.30 199 182 A 36 ILE HG2% A 37 GLY H 1.0 0.0 5.50 200 183 A 33 ALA HB% A 37 GLY H 1.0 0.0 5.50 201 184 A 38 GLU HB2 A 37 GLY H 1.0 0.0 5.50 202 185 A 36 ILE HB A 37 GLY H 1.0 0.0 5.15 203 186 A 38 GLU H A 37 GLY H 1.0 0.0 3.71 204 187 A 38 GLU HB2 A 38 GLU H 1.0 0.0 3.65 205 188 A 38 GLU H A 38 GLU HB3 1.0 0.0 4.11 206 189 A 40 VAL HG1% A 40 VAL H 1.0 0.0 5.23 207 190 A 40 VAL HG2% A 40 VAL H 1.0 0.0 4.20 208 191 A 45 VAL HG2% A 40 VAL H 1.0 0.0 5.26 209 192 A 38 GLU HB2 A 40 VAL H 1.0 0.0 4.97 210 193 A 40 VAL HB A 40 VAL H 1.0 0.0 3.86 211 194 A 40 VAL H A 39 PRO HD3 1.0 0.0 4.78 212 195 A 38 GLU HA A 40 VAL H 1.0 0.0 4.49 213 196 A 41 VAL H A 40 VAL H 1.0 0.0 5.50 214 197 A 41 VAL HG1% A 41 VAL H 1.0 0.0 4.83 215 198 A 33 ALA HB% A 41 VAL H 1.0 0.0 5.50 216 199 A 4 LEU HB3 A 41 VAL H 1.0 0.0 5.39 217 200 A 6 TRP HA A 41 VAL H 1.0 0.0 4.08 218 201 A 41 VAL HB A 42 THR H 1.0 0.0 5.50 219 202 A 40 VAL HG1% A 42 THR H 1.0 0.0 5.49 220 203 A 45 VAL HG2% A 42 THR H 1.0 0.0 3.70 221 204 A 41 VAL HA A 42 THR H 1.0 0.0 3.30 222 205 A 42 THR H A 45 VAL H 1.0 0.0 4.37 223 206 A 41 VAL H A 42 THR H 1.0 0.0 5.50 224 207 A 42 THR H A 43 ALA H 1.0 0.0 5.50 225 208 A 43 ALA HB% A 43 ALA H 1.0 0.0 3.28 226 209 A 42 THR HG2% A 43 ALA H 1.0 0.0 4.58 227 210 A 13 MET HE% A 43 ALA H 1.0 0.0 5.46 228 211 A 7 THR HG1 A 43 ALA H 1.0 0.0 4.21 229 212 A 10 ALA H A 43 ALA H 1.0 0.0 5.50 230 213 A 43 ALA H A 44 ASP H 1.0 0.0 4.07 231 214 A 42 THR HG2% A 44 ASP H 1.0 0.0 5.45 232 215 A 45 VAL HB A 44 ASP H 1.0 0.0 5.50 233 216 A 44 ASP HBy A 44 ASP H 1.0 0.0 4.08 234 217 A 42 THR HG1 A 44 ASP H 1.0 0.0 5.10 235 218 A 41 VAL HG1% A 45 VAL H 1.0 0.0 5.50 236 219 A 45 VAL HB A 45 VAL H 1.0 0.0 3.60 237 220 A 44 ASP HBy A 45 VAL H 1.0 0.0 4.85 238 221 A 45 VAL H A 44 ASP HBx 1.0 0.0 4.85 239 222 A 45 VAL H A 46 PHE HB3 1.0 0.0 5.50 240 223 A 41 VAL HA A 45 VAL H 1.0 0.0 5.50 241 224 A 42 THR HA A 45 VAL H 1.0 0.0 5.29 242 225 A 42 THR HB A 45 VAL H 1.0 0.0 5.50 243 226 A 42 THR HG1 A 45 VAL H 1.0 0.0 4.94 244 227 A 45 VAL H A 44 ASP H 1.0 0.0 3.96 245 228 A 45 VAL H A 43 ALA H 1.0 0.0 5.50 246 229 A 45 VAL HG2% A 46 PHE H 1.0 0.0 4.91 247 230 A 10 ALA HB% A 46 PHE H 1.0 0.0 4.73 248 231 A 45 VAL HB A 46 PHE H 1.0 0.0 3.90 249 232 A 42 THR H A 46 PHE H 1.0 0.0 5.00 250 233 A 45 VAL H A 46 PHE H 1.0 0.0 3.84 251 234 A 45 VAL HG2% A 47 ARG H 1.0 0.0 5.50 252 235 A 49 ALA HB% A 47 ARG H 1.0 0.0 5.32 253 236 A 47 ARG HBy A 47 ARG H 1.0 0.0 3.45 254 236 A 47 ARG H A 47 ARG HBx 1.0 0.0 3.45 255 237 A 46 PHE HB2 A 47 ARG H 1.0 0.0 4.53 256 238 A 45 VAL H A 47 ARG H 1.0 0.0 5.28 257 239 A 47 ARG H A 48 LYS H 1.0 0.0 3.76 258 240 A 48 LYS H A 48 LYS HGx 1.0 0.0 4.65 259 241 A 47 ARG HBy A 48 LYS H 1.0 0.0 4.04 260 241 A 48 LYS H A 47 ARG HBx 1.0 0.0 4.04 261 242 A 45 VAL HA A 48 LYS H 1.0 0.0 4.68 262 243 A 45 VAL HA A 49 ALA H 1.0 0.0 5.39 263 244 A 46 PHE HA A 49 ALA H 1.0 0.0 5.50 264 245 A 32 TYR HE% A 49 ALA H 1.0 0.0 4.72 265 246 A 32 TYR HD% A 49 ALA H 1.0 0.0 5.33 266 247 A 48 LYS H A 49 ALA H 1.0 0.0 3.70 267 248 A 50 LYS HBy A 50 LYS H 1.0 0.0 3.93 268 249 A 51 GLU HBy A 50 LYS H 1.0 0.0 5.50 269 249 A 50 LYS H A 51 GLU HBx 1.0 0.0 5.50 270 250 A 51 GLU H A 50 LYS H 1.0 0.0 3.46 271 251 A 49 ALA H A 50 LYS H 1.0 0.0 3.85 272 252 A 48 LYS H A 50 LYS H 1.0 0.0 5.50 273 253 A 50 LYS H A 53 LEU H 1.0 0.0 5.50 274 254 A 49 ALA HB% A 51 GLU H 1.0 0.0 5.50 275 255 A 51 GLU H A 50 LYS HBx 1.0 0.0 4.41 276 256 A 50 LYS HBy A 51 GLU H 1.0 0.0 4.41 277 257 A 51 GLU HBy A 51 GLU H 1.0 0.0 3.47 278 257 A 51 GLU H A 51 GLU HBx 1.0 0.0 3.47 279 258 A 49 ALA HA A 51 GLU H 1.0 0.0 5.43 280 259 A 53 LEU HD1% A 53 LEU H 1.0 0.0 5.00 281 260 A 53 LEU HD2% A 53 LEU H 1.0 0.0 5.50 282 261 A 50 LYS HA A 53 LEU H 1.0 0.0 5.03 283 262 A 52 HIS H A 53 LEU H 1.0 0.0 4.24 284 263 A 53 LEU H A 54 GLY H 1.0 0.0 4.27 285 264 A 53 LEU HD1% A 54 GLY H 1.0 0.0 5.50 286 265 A 53 LEU HD2% A 54 GLY H 1.0 0.0 5.50 287 266 A 54 GLY H A 53 LEU HBx 1.0 0.0 5.00 288 267 A 53 LEU HBy A 54 GLY H 1.0 0.0 5.00 289 268 A 50 LYS HA A 54 GLY H 1.0 0.0 5.25 290 269 A 56 LEU HD1% A 56 LEU H 1.0 0.0 5.50 291 270 A 56 LEU HD2% A 56 LEU H 1.0 0.0 5.50 292 271 A 56 LEU HBx A 57 GLU H 1.0 0.0 5.50 293 272 A 57 GLU H A 56 LEU HBy 1.0 0.0 5.50 294 273 A 57 GLU H A 57 GLU HGy 1.0 0.0 5.50 295 274 A 55 GLY HAy A 57 GLU H 1.0 0.0 5.37 296 274 A 57 GLU H A 55 GLY HAx 1.0 0.0 5.37 297 275 A 56 LEU H A 57 GLU H 1.0 0.0 4.60 298 276 A 6 TRP HE1 A 26 ARG HA 1.0 0.0 5.50 299 277 A 13 MET HE% A 14 LEU H 1.0 0.0 5.50 300 278 A 14 LEU HD1% A 22 ARG HE 1.0 0.0 5.50 301 279 A 22 ARG HE A 17 VAL HG1% 1.0 0.0 5.50 302 280 A 23 LYS HGx A 23 LYS H 1.0 0.0 5.50 303 281 A 14 LEU HD2% A 26 ARG HE 1.0 0.0 5.50 304 282 A 25 VAL HA A 27 LYS H 1.0 0.0 5.50 305 283 A 50 LYS HA A 52 HIS H 1.0 0.0 5.50 306 284 A 29 THR HG1 A 28 ASN H 1.0 0.0 5.45 307 285 A 49 ALA HB% A 29 THR H 1.0 0.0 5.50 308 286 A 33 ALA HB% A 30 ASP H 1.0 0.0 5.50 309 287 A 45 VAL HG1% A 48 LYS H 1.0 0.0 5.50 310 288 A 49 ALA HB% A 48 LYS H 1.0 0.0 5.50 311 289 A 44 ASP HA A 48 LYS H 1.0 0.0 5.50 312 290 A 48 LYS HA A 50 LYS H 1.0 0.0 5.25 313 291 A 51 GLU H A 49 ALA H 1.0 0.0 5.50 314 292 A 52 HIS HD2 A 53 LEU H 1.0 0.0 5.50 315 293 A 56 LEU HD1% A 57 GLU H 1.0 0.0 5.50 316 294 A 56 LEU HD2% A 57 GLU H 1.0 0.0 5.50 317 295 A 3 GLU HA A 4 LEU HG 1.0 0.0 5.50 318 296 A 31 ASN HA A 34 ARG HGx 1.0 0.0 5.50 319 296 A 31 ASN HA A 34 ARG HGy 1.0 0.0 5.50 320 297 A 3 GLU HGy A 4 LEU H 1.0 0.0 5.50 321 297 A 4 LEU H A 3 GLU HGx 1.0 0.0 5.50 322 298 A 9 GLU HGy A 9 GLU H 1.0 0.0 4.42 323 298 A 9 GLU H A 9 GLU HGx 1.0 0.0 4.42 324 299 A 4 LEU HB2 A 3 GLU HA 1.0 0.0 5.50 325 300 A 4 LEU HB2 A 30 ASP HA 1.0 0.0 5.50 326 301 A 4 LEU HB2 A 39 PRO HA 1.0 0.0 5.50 327 302 A 4 LEU HB2 A 5 SER H 1.0 0.0 5.02 328 303 A 6 TRP HD1 A 4 LEU HB3 1.0 0.0 5.50 329 304 A 4 LEU HD2% A 41 VAL HG2% 1.0 0.0 4.10 330 305 A 4 LEU HD2% A 33 ALA HB% 1.0 0.0 4.84 331 306 A 4 LEU HD2% A 4 LEU HA 1.0 0.0 4.02 332 307 A 4 LEU HD1% A 41 VAL HG2% 1.0 0.0 3.92 333 308 A 4 LEU HD1% A 33 ALA HB% 1.0 0.0 3.78 334 309 A 4 LEU HD1% A 34 ARG HA 1.0 0.0 5.50 335 310 A 4 LEU HD1% A 4 LEU HA 1.0 0.0 5.50 336 311 A 4 LEU HD1% A 39 PRO HA 1.0 0.0 5.50 337 312 A 4 LEU HD1% A 30 ASP H 1.0 0.0 5.50 338 313 A 4 LEU HD1% A 41 VAL H 1.0 0.0 5.50 339 314 A 4 LEU HG A 4 LEU H 1.0 0.0 4.81 340 315 A 4 LEU HB2 A 5 SER HBx 1.0 0.0 5.50 341 315 A 5 SER HBy A 4 LEU HB2 1.0 0.0 5.50 342 316 A 40 VAL HB A 5 SER HBx 1.0 0.0 5.50 343 316 A 5 SER HBy A 40 VAL HB 1.0 0.0 5.50 344 317 A 4 LEU HA A 5 SER HBx 1.0 0.0 5.50 345 317 A 4 LEU HA A 5 SER HBy 1.0 0.0 5.50 346 318 A 5 SER HBy A 5 SER H 1.0 0.0 3.72 347 318 A 5 SER H A 5 SER HBx 1.0 0.0 3.72 348 319 A 41 VAL HB A 6 TRP HA 1.0 0.0 3.80 349 320 A 10 ALA HB% A 6 TRP HA 1.0 0.0 5.27 350 321 A 6 TRP HA A 7 THR HG2% 1.0 0.0 5.50 351 322 A 41 VAL HB A 6 TRP HBx 1.0 0.0 5.50 352 322 A 6 TRP HBy A 41 VAL HB 1.0 0.0 5.50 353 323 A 10 ALA HB% A 6 TRP HBx 1.0 0.0 4.16 354 323 A 6 TRP HBy A 10 ALA HB% 1.0 0.0 4.16 355 324 A 6 TRP HBy A 11 GLU HGx 1.0 0.0 4.63 356 324 A 6 TRP HBx A 11 GLU HGx 1.0 0.0 4.63 357 325 A 6 TRP HZ3 A 6 TRP HBx 1.0 0.0 5.50 358 325 A 6 TRP HBy A 6 TRP HZ3 1.0 0.0 5.50 359 326 A 7 THR HG2% A 7 THR HA 1.0 0.0 3.66 360 327 A 6 TRP HA A 7 THR HA 1.0 0.0 5.50 361 328 A 7 THR HA A 8 ALA H 1.0 0.0 3.44 362 329 A 7 THR HG2% A 40 VAL HG1% 1.0 0.0 3.61 363 330 A 7 THR HG2% A 42 THR HA 1.0 0.0 3.60 364 331 A 7 THR HG2% A 7 THR HG1 1.0 0.0 3.81 365 332 A 7 THR HG2% A 7 THR H 1.0 0.0 3.63 366 333 A 7 THR HG2% A 9 GLU H 1.0 0.0 5.09 367 334 A 8 ALA HA A 11 GLU HBy 1.0 0.0 4.61 368 335 A 8 ALA HA A 11 GLU H 1.0 0.0 4.61 369 336 A 8 ALA HB% A 9 GLU HA 1.0 0.0 4.82 370 337 A 8 ALA HB% A 7 THR HA 1.0 0.0 4.87 371 338 A 8 ALA HB% A 7 THR HB 1.0 0.0 4.95 372 339 A 8 ALA HB% A 9 GLU H 1.0 0.0 3.79 373 340 A 9 GLU HA A 12 LYS HEx 1.0 0.0 5.50 374 340 A 9 GLU HA A 12 LYS HEy 1.0 0.0 5.50 375 341 A 12 LYS HA A 12 LYS HEx 1.0 0.0 5.50 376 341 A 12 LYS HA A 12 LYS HEy 1.0 0.0 5.50 377 342 A 7 THR HG1 A 9 GLU HBx 1.0 0.0 5.50 378 343 A 7 THR HG1 A 9 GLU HBy 1.0 0.0 5.50 379 344 A 10 ALA H A 9 GLU HBy 1.0 0.0 4.26 380 345 A 9 GLU H A 9 GLU HBy 1.0 0.0 3.81 381 346 A 10 ALA HA A 46 PHE HD% 1.0 0.0 5.50 382 347 A 41 VAL HG1% A 10 ALA HB% 1.0 0.0 3.67 383 348 A 10 ALA HB% A 46 PHE HB2 1.0 0.0 4.65 384 349 A 10 ALA HB% A 42 THR HA 1.0 0.0 4.16 385 350 A 10 ALA HB% A 7 THR HG1 1.0 0.0 4.76 386 351 A 10 ALA HB% A 46 PHE HD% 1.0 0.0 5.19 387 352 A 10 ALA HB% A 10 ALA H 1.0 0.0 3.34 388 353 A 10 ALA HB% A 11 GLU H 1.0 0.0 3.88 389 354 A 14 LEU HD1% A 11 GLU HA 1.0 0.0 5.50 390 355 A 6 TRP HZ3 A 11 GLU HA 1.0 0.0 5.29 391 356 A 11 GLU HA A 6 TRP HE3 1.0 0.0 4.09 392 357 A 8 ALA HA A 11 GLU HBx 1.0 0.0 4.61 393 358 A 32 TYR HA A 35 GLU HBy 1.0 0.0 4.94 394 359 A 6 TRP HBy A 11 GLU HGy 1.0 0.0 4.63 395 359 A 11 GLU HGy A 6 TRP HBx 1.0 0.0 4.63 396 360 A 8 ALA HA A 11 GLU HGy 1.0 0.0 5.19 397 361 A 11 GLU HGy A 11 GLU H 1.0 0.0 4.43 398 362 A 8 ALA HA A 11 GLU HGx 1.0 0.0 5.19 399 363 A 6 TRP HE3 A 11 GLU HGx 1.0 0.0 5.50 400 364 A 34 ARG HA A 38 GLU H 1.0 0.0 5.50 401 365 A 13 MET H A 12 LYS HBx 1.0 0.0 3.96 402 365 A 12 LYS HBy A 13 MET H 1.0 0.0 3.96 403 366 A 12 LYS HBy A 12 LYS H 1.0 0.0 3.30 404 366 A 12 LYS H A 12 LYS HBx 1.0 0.0 3.30 405 367 A 12 LYS HBy A 12 LYS HEx 1.0 0.0 4.86 406 367 A 12 LYS HBx A 12 LYS HEx 1.0 0.0 4.86 407 367 A 12 LYS HEy A 12 LYS HBx 1.0 0.0 4.86 408 367 A 12 LYS HEy A 12 LYS HBy 1.0 0.0 4.86 409 368 A 12 LYS HA A 12 LYS HDx 1.0 0.0 4.86 410 368 A 12 LYS HA A 12 LYS HDy 1.0 0.0 4.86 411 369 A 24 LYS HA A 24 LYS HDx 1.0 0.0 5.42 412 369 A 24 LYS HA A 24 LYS HDy 1.0 0.0 5.42 413 370 A 21 VAL HG1% A 24 LYS HEx 1.0 0.0 5.29 414 370 A 21 VAL HG1% A 24 LYS HEy 1.0 0.0 5.29 415 371 A 36 ILE HD1% A 48 LYS HEx 1.0 0.0 5.13 416 371 A 36 ILE HD1% A 48 LYS HEy 1.0 0.0 5.13 417 372 A 12 LYS HGy A 12 LYS H 1.0 0.0 4.82 418 373 A 13 MET HA A 16 LYS H 1.0 0.0 5.07 419 374 A 13 MET HA A 15 GLY H 1.0 0.0 5.50 420 375 A 25 VAL H A 24 LYS HBx 1.0 0.0 3.75 421 375 A 24 LYS HBy A 25 VAL H 1.0 0.0 3.75 422 376 A 46 PHE HD% A 13 MET HBx 1.0 0.0 5.50 423 377 A 13 MET HE% A 43 ALA HA 1.0 0.0 4.11 424 378 A 13 MET HE% A 47 ARG H 1.0 0.0 4.93 425 379 A 13 MET HGy A 13 MET H 1.0 0.0 4.27 426 380 A 13 MET HGy A 14 LEU H 1.0 0.0 5.50 427 381 A 14 LEU HD2% A 14 LEU HA 1.0 0.0 5.50 428 382 A 14 LEU HA A 17 VAL HG2% 1.0 0.0 3.78 429 383 A 17 VAL HB A 14 LEU HA 1.0 0.0 5.30 430 384 A 46 PHE HE% A 14 LEU HA 1.0 0.0 4.64 431 385 A 14 LEU HA A 17 VAL H 1.0 0.0 5.11 432 386 A 14 LEU HD1% A 14 LEU HBx 1.0 0.0 4.13 433 387 A 6 TRP HE3 A 14 LEU HBx 1.0 0.0 5.50 434 388 A 14 LEU HD1% A 14 LEU HBy 1.0 0.0 4.13 435 389 A 6 TRP HE3 A 14 LEU HBy 1.0 0.0 5.50 436 390 A 14 LEU HD1% A 17 VAL HB 1.0 0.0 4.86 437 391 A 14 LEU HD1% A 22 ARG HA 1.0 0.0 4.65 438 392 A 14 LEU HD1% A 14 LEU HA 1.0 0.0 3.58 439 393 A 14 LEU HD1% A 6 TRP HH2 1.0 0.0 4.43 440 394 A 46 PHE HE% A 14 LEU HD1% 1.0 0.0 4.31 441 395 A 14 LEU HD1% A 6 TRP HZ2 1.0 0.0 5.50 442 396 A 14 LEU HD1% A 17 VAL H 1.0 0.0 5.50 443 397 A 14 LEU HD1% A 14 LEU H 1.0 0.0 5.10 444 398 A 14 LEU HD1% A 25 VAL H 1.0 0.0 5.50 445 399 A 14 LEU HD1% A 26 ARG H 1.0 0.0 4.54 446 400 A 14 LEU HD2% A 26 ARG HBx 1.0 0.0 5.17 447 401 A 14 LEU HD2% A 22 ARG HDx 1.0 0.0 5.33 448 401 A 14 LEU HD2% A 22 ARG HDy 1.0 0.0 5.33 449 402 A 14 LEU HD2% A 11 GLU HA 1.0 0.0 5.21 450 403 A 14 LEU HD2% A 26 ARG HH2% 1.0 0.0 5.50 451 404 A 14 LEU HD2% A 6 TRP HZ3 1.0 0.0 5.50 452 405 A 14 LEU HD2% A 6 TRP HE3 1.0 0.0 5.50 453 406 A 14 LEU HD2% A 6 TRP HH2 1.0 0.0 4.74 454 407 A 14 LEU HD2% A 26 ARG H 1.0 0.0 5.12 455 408 A 14 LEU HG A 22 ARG HDx 1.0 0.0 4.99 456 408 A 14 LEU HG A 22 ARG HDy 1.0 0.0 4.99 457 409 A 16 LYS HA A 16 LYS HDx 1.0 0.0 4.60 458 409 A 16 LYS HDy A 16 LYS HA 1.0 0.0 4.60 459 410 A 46 PHE HD% A 13 MET HBy 1.0 0.0 5.50 460 411 A 16 LYS HGy A 16 LYS H 1.0 0.0 4.39 461 412 A 23 LYS H A 23 LYS HGy 1.0 0.0 5.50 462 413 A 21 VAL HG1% A 20 PHE HA 1.0 0.0 5.50 463 414 A 17 VAL HA A 18 PRO HD3 1.0 0.0 3.28 464 415 A 17 VAL HB A 22 ARG HGx 1.0 0.0 4.27 465 415 A 17 VAL HB A 22 ARG HGy 1.0 0.0 4.27 466 416 A 14 LEU HD2% A 17 VAL HG2% 1.0 0.0 5.25 467 417 A 17 VAL HG2% A 16 LYS HBx 1.0 0.0 5.25 468 418 A 17 VAL HG2% A 16 LYS HBy 1.0 0.0 5.25 469 419 A 17 VAL HG2% A 25 VAL HB 1.0 0.0 5.50 470 420 A 17 VAL HG2% A 18 PRO HD2 1.0 0.0 4.69 471 421 A 17 VAL HG2% A 17 VAL HA 1.0 0.0 3.72 472 422 A 17 VAL HG2% A 16 LYS H 1.0 0.0 4.99 473 423 A 46 PHE HE% A 17 VAL HG2% 1.0 0.0 5.50 474 424 A 14 LEU HD2% A 17 VAL HG1% 1.0 0.0 5.50 475 425 A 17 VAL HG1% A 18 PRO HGx 1.0 0.0 4.67 476 425 A 18 PRO HGy A 17 VAL HG1% 1.0 0.0 4.67 477 426 A 17 VAL HG1% A 25 VAL HB 1.0 0.0 5.37 478 427 A 18 PRO HD2 A 17 VAL HG1% 1.0 0.0 3.94 479 428 A 17 VAL HG1% A 17 VAL HA 1.0 0.0 3.98 480 429 A 17 VAL HG1% A 46 PHE HZ 1.0 0.0 5.35 481 430 A 17 VAL HG1% A 21 VAL H 1.0 0.0 5.26 482 431 A 17 VAL HG1% A 17 VAL H 1.0 0.0 4.29 483 432 A 18 PRO HA A 20 PHE H 1.0 0.0 5.43 484 433 A 18 PRO HA A 19 PHE H 1.0 0.0 3.53 485 434 A 18 PRO HB2 A 21 VAL H 1.0 0.0 4.84 486 435 A 20 PHE HD% A 18 PRO HB3 1.0 0.0 5.50 487 436 A 18 PRO HB3 A 21 VAL H 1.0 0.0 5.50 488 437 A 21 VAL HG2% A 18 PRO HD3 1.0 0.0 5.02 489 438 A 17 VAL HG1% A 18 PRO HD3 1.0 0.0 4.36 490 439 A 17 VAL HG2% A 18 PRO HD3 1.0 0.0 5.45 491 440 A 17 VAL HB A 18 PRO HD3 1.0 0.0 5.10 492 441 A 18 PRO HD2 A 21 VAL HG2% 1.0 0.0 4.31 493 442 A 18 PRO HD2 A 17 VAL HA 1.0 0.0 3.71 494 443 A 21 VAL HG2% A 18 PRO HGx 1.0 0.0 4.42 495 443 A 18 PRO HGy A 21 VAL HG2% 1.0 0.0 4.42 496 444 A 17 VAL HA A 18 PRO HGx 1.0 0.0 5.27 497 444 A 18 PRO HGy A 17 VAL HA 1.0 0.0 5.27 498 445 A 19 PHE HA A 22 ARG HDx 1.0 0.0 5.09 499 445 A 19 PHE HA A 22 ARG HDy 1.0 0.0 5.09 500 446 A 19 PHE HA A 20 PHE HA 1.0 0.0 5.50 501 447 A 19 PHE HA A 18 PRO HA 1.0 0.0 5.50 502 448 A 19 PHE HBy A 19 PHE H 1.0 0.0 4.04 503 449 A 20 PHE HA A 20 PHE HE% 1.0 0.0 5.50 504 450 A 21 VAL HG1% A 20 PHE HBy 1.0 0.0 5.29 505 451 A 21 VAL HG2% A 20 PHE HBy 1.0 0.0 5.50 506 452 A 21 VAL HG2% A 20 PHE HBx 1.0 0.0 5.50 507 453 A 31 ASN HBy A 32 TYR H 1.0 0.0 5.11 508 454 A 21 VAL HG1% A 21 VAL HA 1.0 0.0 3.72 509 455 A 21 VAL HA A 24 LYS HBx 1.0 0.0 4.48 510 455 A 24 LYS HBy A 21 VAL HA 1.0 0.0 4.48 511 456 A 21 VAL HA A 24 LYS H 1.0 0.0 5.01 512 457 A 25 VAL HG2% A 21 VAL HB 1.0 0.0 4.52 513 458 A 17 VAL HG1% A 21 VAL HB 1.0 0.0 5.50 514 459 A 21 VAL HG2% A 17 VAL HG1% 1.0 0.0 3.46 515 460 A 17 VAL HG2% A 21 VAL HG2% 1.0 0.0 4.11 516 461 A 21 VAL HG2% A 18 PRO HB2 1.0 0.0 4.37 517 462 A 21 VAL HG2% A 24 LYS HBx 1.0 0.0 4.98 518 462 A 21 VAL HG2% A 24 LYS HBy 1.0 0.0 4.98 519 463 A 17 VAL HB A 21 VAL HG2% 1.0 0.0 5.50 520 464 A 21 VAL HG2% A 18 PRO HB3 1.0 0.0 4.91 521 465 A 21 VAL HG2% A 17 VAL HA 1.0 0.0 5.50 522 466 A 21 VAL HG2% A 20 PHE HA 1.0 0.0 5.50 523 467 A 21 VAL HG2% A 21 VAL H 1.0 0.0 3.68 524 468 A 21 VAL HG2% A 25 VAL H 1.0 0.0 5.19 525 469 A 21 VAL HG2% A 23 LYS H 1.0 0.0 5.50 526 470 A 21 VAL HG1% A 20 PHE HBx 1.0 0.0 5.29 527 471 A 18 PRO HD2 A 21 VAL HG1% 1.0 0.0 5.50 528 472 A 21 VAL HG1% A 22 ARG HA 1.0 0.0 5.50 529 473 A 21 VAL HG1% A 20 PHE HD% 1.0 0.0 4.15 530 474 A 21 VAL HG1% A 21 VAL H 1.0 0.0 5.00 531 475 A 21 VAL HG1% A 22 ARG H 1.0 0.0 5.50 532 476 A 21 VAL HG2% A 22 ARG HA 1.0 0.0 5.26 533 477 A 22 ARG HA A 17 VAL HG1% 1.0 0.0 3.73 534 478 A 17 VAL HG2% A 22 ARG HA 1.0 0.0 4.72 535 479 A 22 ARG HA A 22 ARG HGx 1.0 0.0 3.81 536 479 A 22 ARG HA A 22 ARG HGy 1.0 0.0 3.81 537 480 A 22 ARG HA A 25 VAL HB 1.0 0.0 4.18 538 481 A 17 VAL HB A 22 ARG HA 1.0 0.0 4.88 539 482 A 22 ARG HA A 22 ARG HDx 1.0 0.0 5.50 540 482 A 22 ARG HA A 22 ARG HDy 1.0 0.0 5.50 541 483 A 19 PHE HA A 22 ARG HBy 1.0 0.0 4.21 542 484 A 22 ARG H A 22 ARG HBy 1.0 0.0 3.58 543 485 A 19 PHE HA A 22 ARG HBx 1.0 0.0 4.21 544 486 A 22 ARG HBx A 21 VAL H 1.0 0.0 5.50 545 487 A 22 ARG HBx A 22 ARG H 1.0 0.0 3.58 546 488 A 14 LEU HD1% A 22 ARG HDx 1.0 0.0 5.19 547 488 A 14 LEU HD1% A 22 ARG HDy 1.0 0.0 5.19 548 489 A 17 VAL HG1% A 22 ARG HDx 1.0 0.0 5.50 549 489 A 17 VAL HG1% A 22 ARG HDy 1.0 0.0 5.50 550 490 A 17 VAL HB A 22 ARG HDx 1.0 0.0 5.50 551 490 A 17 VAL HB A 22 ARG HDy 1.0 0.0 5.50 552 491 A 19 PHE HD% A 22 ARG HDx 1.0 0.0 5.50 553 491 A 19 PHE HD% A 22 ARG HDy 1.0 0.0 5.50 554 492 A 14 LEU HD2% A 22 ARG HGx 1.0 0.0 4.81 555 492 A 14 LEU HD2% A 22 ARG HGy 1.0 0.0 4.81 556 493 A 19 PHE HA A 22 ARG HGx 1.0 0.0 5.50 557 493 A 19 PHE HA A 22 ARG HGy 1.0 0.0 5.50 558 494 A 23 LYS HA A 22 ARG HGx 1.0 0.0 5.50 559 494 A 22 ARG HGy A 23 LYS HA 1.0 0.0 5.50 560 495 A 22 ARG HGy A 22 ARG H 1.0 0.0 4.90 561 495 A 22 ARG H A 22 ARG HGx 1.0 0.0 4.90 562 496 A 23 LYS HA A 23 LYS HEx 1.0 0.0 5.50 563 496 A 23 LYS HA A 23 LYS HEy 1.0 0.0 5.50 564 497 A 48 LYS HA A 48 LYS HEx 1.0 0.0 5.50 565 497 A 48 LYS HA A 48 LYS HEy 1.0 0.0 5.50 566 498 A 23 LYS HA A 26 ARG H 1.0 0.0 4.59 567 499 A 23 LYS HBy A 23 LYS HEx 1.0 0.0 5.49 568 499 A 23 LYS HBx A 23 LYS HEx 1.0 0.0 5.49 569 499 A 23 LYS HEy A 23 LYS HBx 1.0 0.0 5.49 570 499 A 23 LYS HBy A 23 LYS HEy 1.0 0.0 5.49 571 500 A 23 LYS HBy A 23 LYS H 1.0 0.0 3.74 572 500 A 23 LYS H A 23 LYS HBx 1.0 0.0 3.74 573 501 A 23 LYS HA A 23 LYS HDx 1.0 0.0 4.96 574 501 A 23 LYS HA A 23 LYS HDy 1.0 0.0 4.96 575 502 A 35 GLU HA A 34 ARG HGx 1.0 0.0 5.50 576 502 A 34 ARG HGy A 35 GLU HA 1.0 0.0 5.50 577 503 A 21 VAL HG1% A 24 LYS HBx 1.0 0.0 5.50 578 503 A 21 VAL HG1% A 24 LYS HBy 1.0 0.0 5.50 579 504 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 5.50 580 504 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 5.50 581 505 A 24 LYS HBx A 24 LYS HEx 1.0 0.0 5.50 582 505 A 24 LYS HEy A 24 LYS HBx 1.0 0.0 5.50 583 505 A 24 LYS HBy A 24 LYS HEy 1.0 0.0 5.50 584 505 A 24 LYS HBy A 24 LYS HEx 1.0 0.0 5.50 585 506 A 24 LYS HGy A 24 LYS H 1.0 0.0 5.50 586 507 A 24 LYS H A 24 LYS HGx 1.0 0.0 5.50 587 508 A 25 VAL HG1% A 25 VAL HA 1.0 0.0 3.78 588 509 A 25 VAL HG2% A 25 VAL HA 1.0 0.0 3.52 589 510 A 25 VAL HA A 24 LYS HBx 1.0 0.0 5.50 590 510 A 24 LYS HBy A 25 VAL HA 1.0 0.0 5.50 591 511 A 25 VAL HA A 28 ASN H 1.0 0.0 4.66 592 512 A 25 VAL HB A 25 VAL H 1.0 0.0 3.45 593 513 A 25 VAL HG1% A 25 VAL H 1.0 0.0 5.24 594 514 A 25 VAL HG2% A 24 LYS HBx 1.0 0.0 4.51 595 514 A 25 VAL HG2% A 24 LYS HBy 1.0 0.0 4.51 596 515 A 22 ARG HA A 25 VAL HG2% 1.0 0.0 4.64 597 516 A 25 VAL HG2% A 25 VAL H 1.0 0.0 3.44 598 517 A 25 VAL HG2% A 26 ARG H 1.0 0.0 4.95 599 518 A 14 LEU HD2% A 26 ARG HA 1.0 0.0 5.08 600 519 A 29 THR HG1 A 26 ARG HA 1.0 0.0 4.27 601 520 A 26 ARG HA A 29 THR H 1.0 0.0 4.71 602 521 A 14 LEU HD2% A 26 ARG HBy 1.0 0.0 5.17 603 522 A 26 ARG HBy A 27 LYS H 1.0 0.0 4.61 604 523 A 26 ARG HBy A 26 ARG H 1.0 0.0 3.67 605 524 A 14 LEU HD2% A 26 ARG HDy 1.0 0.0 5.10 606 525 A 26 ARG HA A 26 ARG HDy 1.0 0.0 5.50 607 526 A 14 LEU HD2% A 26 ARG HDx 1.0 0.0 5.10 608 527 A 26 ARG HA A 26 ARG HDx 1.0 0.0 5.50 609 528 A 6 TRP HZ2 A 26 ARG HGy 1.0 0.0 4.19 610 529 A 27 LYS HA A 27 LYS HDx 1.0 0.0 4.87 611 529 A 27 LYS HA A 27 LYS HDy 1.0 0.0 4.87 612 530 A 27 LYS HA A 30 ASP HBx 1.0 0.0 4.65 613 531 A 27 LYS HA A 30 ASP HBy 1.0 0.0 4.65 614 532 A 27 LYS HA A 30 ASP H 1.0 0.0 5.50 615 533 A 27 LYS HBy A 27 LYS H 1.0 0.0 3.43 616 533 A 27 LYS H A 27 LYS HBx 1.0 0.0 3.43 617 534 A 28 ASN H A 27 LYS HBx 1.0 0.0 3.71 618 534 A 27 LYS HBy A 28 ASN H 1.0 0.0 3.71 619 535 A 31 ASN HD21 A 27 LYS HGy 1.0 0.0 5.50 620 536 A 28 ASN HA A 31 ASN H 1.0 0.0 4.64 621 537 A 53 LEU HD2% A 28 ASN HBy 1.0 0.0 5.02 622 538 A 53 LEU HD1% A 28 ASN HBy 1.0 0.0 5.50 623 539 A 25 VAL HA A 28 ASN HBy 1.0 0.0 4.69 624 540 A 53 LEU HD2% A 28 ASN HBx 1.0 0.0 5.02 625 541 A 53 LEU HD1% A 28 ASN HBx 1.0 0.0 5.50 626 542 A 25 VAL HA A 28 ASN HBx 1.0 0.0 4.69 627 543 A 28 ASN HBx A 28 ASN H 1.0 0.0 4.15 628 544 A 4 LEU HD1% A 29 THR HB 1.0 0.0 5.50 629 545 A 33 ALA HB% A 29 THR HB 1.0 0.0 4.93 630 546 A 49 ALA HB% A 29 THR HB 1.0 0.0 5.45 631 547 A 6 TRP HH2 A 29 THR HB 1.0 0.0 5.45 632 548 A 6 TRP HZ2 A 29 THR HB 1.0 0.0 4.74 633 549 A 29 THR HB A 32 TYR H 1.0 0.0 4.66 634 550 A 29 THR HB A 30 ASP H 1.0 0.0 4.98 635 551 A 41 VAL HG1% A 29 THR HG2% 1.0 0.0 3.45 636 552 A 14 LEU HD2% A 25 VAL HG1% 1.0 0.0 4.53 637 553 A 14 LEU HD1% A 25 VAL HB 1.0 0.0 4.20 638 554 A 29 THR HG2% A 29 THR HA 1.0 0.0 3.53 639 555 A 29 THR HG2% A 32 TYR HD% 1.0 0.0 4.76 640 556 A 29 THR HG2% A 46 PHE HD% 1.0 0.0 3.53 641 557 A 46 PHE HE% A 25 VAL HG1% 1.0 0.0 5.19 642 558 A 29 THR HG2% A 6 TRP HZ2 1.0 0.0 3.64 643 559 A 29 THR HG2% A 29 THR H 1.0 0.0 4.40 644 560 A 25 VAL HG1% A 26 ARG H 1.0 0.0 4.59 645 561 A 41 VAL HG2% A 30 ASP HA 1.0 0.0 4.35 646 562 A 4 LEU HD1% A 30 ASP HA 1.0 0.0 3.95 647 563 A 30 ASP HA A 29 THR HG2% 1.0 0.0 5.42 648 564 A 30 ASP HBy A 31 ASN H 1.0 0.0 4.53 649 565 A 30 ASP HBy A 30 ASP H 1.0 0.0 4.12 650 566 A 31 ASN H A 30 ASP HBx 1.0 0.0 4.53 651 567 A 30 ASP H A 30 ASP HBx 1.0 0.0 4.12 652 568 A 31 ASN H A 31 ASN HBx 1.0 0.0 4.08 653 569 A 31 ASN HBy A 31 ASN H 1.0 0.0 4.08 654 570 A 32 TYR HA A 35 GLU HBx 1.0 0.0 4.94 655 571 A 32 TYR HD% A 32 TYR HA 1.0 0.0 3.37 656 572 A 53 LEU HD2% A 32 TYR HBx 1.0 0.0 5.50 657 573 A 36 ILE HG2% A 33 ALA HA 1.0 0.0 5.18 658 574 A 33 ALA HA A 36 ILE HG1x 1.0 0.0 4.38 659 575 A 33 ALA HA A 38 GLU HB3 1.0 0.0 5.10 660 576 A 33 ALA HA A 38 GLU HGy 1.0 0.0 5.50 661 577 A 33 ALA HA A 38 GLU HGx 1.0 0.0 5.50 662 578 A 32 TYR HD% A 33 ALA HA 1.0 0.0 4.40 663 579 A 33 ALA HA A 36 ILE H 1.0 0.0 4.82 664 580 A 33 ALA HA A 38 GLU H 1.0 0.0 4.76 665 581 A 41 VAL HG2% A 33 ALA HB% 1.0 0.0 3.63 666 582 A 33 ALA HB% A 45 VAL HG1% 1.0 0.0 3.72 667 583 A 33 ALA HB% A 38 GLU HB3 1.0 0.0 4.62 668 584 A 30 ASP HA A 33 ALA HB% 1.0 0.0 4.11 669 585 A 12 LYS HA A 16 LYS H 1.0 0.0 5.50 670 586 A 48 LYS HA A 51 GLU H 1.0 0.0 5.50 671 587 A 35 GLU H A 35 GLU HBy 1.0 0.0 3.78 672 588 A 51 GLU HGy A 52 HIS H 1.0 0.0 5.50 673 589 A 35 GLU H A 35 GLU HGx 1.0 0.0 4.94 674 590 A 52 HIS H A 51 GLU HGx 1.0 0.0 5.50 675 591 A 36 ILE HG2% A 36 ILE HA 1.0 0.0 3.55 676 592 A 36 ILE HD1% A 36 ILE HA 1.0 0.0 4.92 677 593 A 36 ILE HB A 36 ILE HD1% 1.0 0.0 3.52 678 594 A 36 ILE HG2% A 36 ILE HD1% 1.0 0.0 3.48 679 595 A 38 GLU HB2 A 36 ILE HD1% 1.0 0.0 5.35 680 596 A 36 ILE HD1% A 48 LYS HDx 1.0 0.0 5.50 681 597 A 36 ILE HD1% A 48 LYS HDy 1.0 0.0 5.50 682 598 A 36 ILE HD1% A 33 ALA HA 1.0 0.0 4.22 683 599 A 38 GLU HA A 36 ILE HD1% 1.0 0.0 5.50 684 600 A 32 TYR HE% A 36 ILE HD1% 1.0 0.0 3.38 685 601 A 32 TYR HD% A 36 ILE HD1% 1.0 0.0 4.30 686 602 A 36 ILE HD1% A 36 ILE H 1.0 0.0 4.58 687 603 A 36 ILE HD1% A 38 GLU H 1.0 0.0 4.90 688 604 A 33 ALA HA A 36 ILE HG1y 1.0 0.0 4.38 689 605 A 36 ILE HG1y A 36 ILE H 1.0 0.0 4.36 690 606 A 36 ILE HG2% A 35 GLU HA 1.0 0.0 5.47 691 607 A 36 ILE HG2% A 32 TYR HE% 1.0 0.0 3.79 692 608 A 32 TYR HD% A 36 ILE HG2% 1.0 0.0 4.64 693 609 A 36 ILE HG2% A 36 ILE H 1.0 0.0 3.88 694 610 A 38 GLU HB2 A 33 ALA HA 1.0 0.0 5.02 695 611 A 38 GLU HB3 A 40 VAL H 1.0 0.0 5.28 696 612 A 45 VAL HG2% A 38 GLU HGy 1.0 0.0 4.88 697 613 A 45 VAL HG2% A 38 GLU HGx 1.0 0.0 4.88 698 614 A 4 LEU HD2% A 39 PRO HA 1.0 0.0 4.26 699 615 A 33 ALA HB% A 39 PRO HA 1.0 0.0 5.14 700 616 A 38 GLU HA A 39 PRO HD3 1.0 0.0 3.58 701 617 A 38 GLU HA A 39 PRO HD2 1.0 0.0 3.67 702 618 A 39 PRO HD2 A 40 VAL H 1.0 0.0 4.20 703 619 A 40 VAL H A 39 PRO HGy 1.0 0.0 5.24 704 620 A 39 PRO HGx A 40 VAL H 1.0 0.0 5.24 705 621 A 40 VAL HG1% A 40 VAL HA 1.0 0.0 3.82 706 622 A 6 TRP HA A 40 VAL HA 1.0 0.0 5.45 707 623 A 40 VAL HA A 41 VAL H 1.0 0.0 3.36 708 624 A 40 VAL HB A 41 VAL H 1.0 0.0 5.02 709 625 A 40 VAL HG1% A 42 THR HG2% 1.0 0.0 3.61 710 626 A 40 VAL HG1% A 5 SER HBx 1.0 0.0 4.35 711 626 A 5 SER HBy A 40 VAL HG1% 1.0 0.0 4.35 712 627 A 6 TRP HA A 40 VAL HG1% 1.0 0.0 4.68 713 628 A 40 VAL HG1% A 7 THR H 1.0 0.0 4.76 714 629 A 40 VAL HG1% A 41 VAL H 1.0 0.0 3.94 715 630 A 40 VAL HG2% A 42 THR HG2% 1.0 0.0 4.55 716 631 A 40 VAL HG2% A 5 SER HBx 1.0 0.0 4.15 717 631 A 40 VAL HG2% A 5 SER HBy 1.0 0.0 4.15 718 632 A 40 VAL HG2% A 40 VAL HA 1.0 0.0 3.66 719 633 A 40 VAL HG2% A 41 VAL H 1.0 0.0 4.99 720 634 A 41 VAL HG1% A 41 VAL HA 1.0 0.0 3.69 721 635 A 45 VAL HG1% A 41 VAL HA 1.0 0.0 4.09 722 636 A 45 VAL HG2% A 41 VAL HA 1.0 0.0 4.27 723 637 A 33 ALA HB% A 41 VAL HA 1.0 0.0 5.19 724 638 A 41 VAL HA A 45 VAL HB 1.0 0.0 4.11 725 639 A 42 THR HA A 41 VAL HA 1.0 0.0 5.50 726 640 A 41 VAL HB A 40 VAL HA 1.0 0.0 5.18 727 641 A 6 TRP HD1 A 41 VAL HB 1.0 0.0 4.38 728 642 A 41 VAL HB A 41 VAL H 1.0 0.0 3.90 729 643 A 41 VAL HG2% A 29 THR HG2% 1.0 0.0 3.99 730 644 A 41 VAL HG2% A 4 LEU HB3 1.0 0.0 4.54 731 645 A 41 VAL HG2% A 4 LEU HB2 1.0 0.0 4.54 732 646 A 41 VAL HG2% A 41 VAL HA 1.0 0.0 3.74 733 647 A 41 VAL HG2% A 40 VAL HA 1.0 0.0 5.33 734 648 A 41 VAL HG2% A 29 THR HA 1.0 0.0 5.50 735 649 A 41 VAL HG2% A 29 THR HG1 1.0 0.0 5.50 736 650 A 41 VAL HG2% A 6 TRP HA 1.0 0.0 4.78 737 651 A 41 VAL HG2% A 42 THR H 1.0 0.0 5.35 738 652 A 41 VAL HG2% A 6 TRP HE3 1.0 0.0 5.50 739 653 A 41 VAL HG2% A 6 TRP HH2 1.0 0.0 5.50 740 654 A 6 TRP HD1 A 41 VAL HG2% 1.0 0.0 4.17 741 655 A 41 VAL HG2% A 40 VAL H 1.0 0.0 5.50 742 656 A 41 VAL HG2% A 7 THR H 1.0 0.0 5.50 743 657 A 41 VAL HG2% A 41 VAL H 1.0 0.0 3.83 744 658 A 41 VAL HG1% A 45 VAL HB 1.0 0.0 4.24 745 659 A 41 VAL HG1% A 42 THR HA 1.0 0.0 5.29 746 660 A 41 VAL HG1% A 6 TRP HA 1.0 0.0 4.94 747 661 A 41 VAL HG1% A 42 THR H 1.0 0.0 4.44 748 662 A 41 VAL HG1% A 6 TRP HE3 1.0 0.0 4.90 749 663 A 41 VAL HG1% A 46 PHE HD% 1.0 0.0 4.53 750 664 A 41 VAL HG1% A 46 PHE H 1.0 0.0 4.42 751 665 A 42 THR HB A 43 ALA H 1.0 0.0 3.26 752 666 A 40 VAL HB A 42 THR HG2% 1.0 0.0 4.43 753 667 A 41 VAL HA A 42 THR HG2% 1.0 0.0 5.00 754 668 A 42 THR HG2% A 40 VAL HA 1.0 0.0 5.38 755 669 A 42 THR HA A 42 THR HG2% 1.0 0.0 3.78 756 670 A 7 THR HG1 A 42 THR HG2% 1.0 0.0 5.22 757 671 A 42 THR HG2% A 42 THR H 1.0 0.0 3.85 758 672 A 42 THR HG2% A 45 VAL H 1.0 0.0 5.50 759 673 A 46 PHE HB2 A 43 ALA HA 1.0 0.0 4.66 760 674 A 43 ALA HA A 46 PHE H 1.0 0.0 5.01 761 675 A 43 ALA HA A 47 ARG H 1.0 0.0 5.50 762 676 A 43 ALA HB% A 9 GLU HGx 1.0 0.0 4.65 763 676 A 9 GLU HGy A 43 ALA HB% 1.0 0.0 4.65 764 677 A 43 ALA HB% A 44 ASP H 1.0 0.0 3.79 765 678 A 44 ASP HA A 47 ARG HBx 1.0 0.0 4.10 766 678 A 47 ARG HBy A 44 ASP HA 1.0 0.0 4.10 767 679 A 44 ASP H A 44 ASP HBx 1.0 0.0 4.08 768 680 A 45 VAL HG2% A 45 VAL HA 1.0 0.0 3.59 769 681 A 45 VAL HA A 32 TYR HE% 1.0 0.0 4.46 770 682 A 45 VAL HA A 42 THR H 1.0 0.0 5.50 771 683 A 45 VAL HB A 42 THR H 1.0 0.0 3.43 772 684 A 41 VAL HG2% A 45 VAL HG1% 1.0 0.0 4.01 773 685 A 45 VAL HG1% A 45 VAL HA 1.0 0.0 3.72 774 686 A 45 VAL HG1% A 46 PHE HA 1.0 0.0 5.31 775 687 A 45 VAL HG1% A 42 THR H 1.0 0.0 4.50 776 688 A 45 VAL HG1% A 45 VAL H 1.0 0.0 4.67 777 689 A 45 VAL HG1% A 46 PHE H 1.0 0.0 4.69 778 690 A 45 VAL HG1% A 49 ALA H 1.0 0.0 5.41 779 691 A 41 VAL HG1% A 45 VAL HG2% 1.0 0.0 5.09 780 692 A 42 THR HA A 45 VAL HG2% 1.0 0.0 5.34 781 693 A 45 VAL HG2% A 42 THR HB 1.0 0.0 5.16 782 694 A 45 VAL HG2% A 42 THR HG1 1.0 0.0 5.13 783 695 A 45 VAL HG2% A 45 VAL H 1.0 0.0 3.55 784 696 A 45 VAL HG2% A 44 ASP H 1.0 0.0 5.08 785 697 A 41 VAL HG1% A 46 PHE HA 1.0 0.0 4.63 786 698 A 29 THR HG2% A 46 PHE HA 1.0 0.0 3.90 787 699 A 41 VAL HG1% A 46 PHE HB3 1.0 0.0 5.01 788 700 A 10 ALA HB% A 46 PHE HB3 1.0 0.0 5.42 789 701 A 43 ALA HB% A 46 PHE HB3 1.0 0.0 5.50 790 702 A 43 ALA HA A 46 PHE HB3 1.0 0.0 4.10 791 703 A 46 PHE HB3 A 46 PHE H 1.0 0.0 3.62 792 704 A 46 PHE HB3 A 47 ARG H 1.0 0.0 3.83 793 705 A 41 VAL HG1% A 46 PHE HB2 1.0 0.0 4.19 794 706 A 29 THR HG2% A 46 PHE HB2 1.0 0.0 5.40 795 707 A 46 PHE HB2 A 46 PHE H 1.0 0.0 3.58 796 708 A 49 ALA HB% A 47 ARG HA 1.0 0.0 5.50 797 709 A 46 PHE HD% A 47 ARG HA 1.0 0.0 5.03 798 710 A 47 ARG HA A 50 LYS H 1.0 0.0 5.21 799 711 A 47 ARG HBy A 47 ARG HDx 1.0 0.0 3.86 800 711 A 47 ARG HBx A 47 ARG HDx 1.0 0.0 3.86 801 711 A 47 ARG HDy A 47 ARG HBx 1.0 0.0 3.86 802 711 A 47 ARG HBy A 47 ARG HDy 1.0 0.0 3.86 803 712 A 32 TYR HE% A 48 LYS HBy 1.0 0.0 3.82 804 713 A 48 LYS HBy A 49 ALA H 1.0 0.0 4.58 805 714 A 32 TYR HE% A 48 LYS HBx 1.0 0.0 3.82 806 715 A 49 ALA H A 48 LYS HBx 1.0 0.0 4.58 807 716 A 34 ARG HGy A 34 ARG H 1.0 0.0 4.39 808 716 A 34 ARG H A 34 ARG HGx 1.0 0.0 4.39 809 717 A 16 LYS HEy A 16 LYS HBy 1.0 0.0 5.50 810 717 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 5.50 811 718 A 48 LYS HGy A 48 LYS H 1.0 0.0 4.65 812 719 A 32 TYR HE% A 49 ALA HA 1.0 0.0 3.94 813 720 A 32 TYR HD% A 49 ALA HA 1.0 0.0 3.85 814 721 A 49 ALA HA A 52 HIS H 1.0 0.0 5.22 815 722 A 49 ALA HA A 53 LEU H 1.0 0.0 5.41 816 723 A 49 ALA HB% A 32 TYR HBx 1.0 0.0 5.13 817 724 A 49 ALA HB% A 46 PHE HA 1.0 0.0 3.60 818 725 A 32 TYR HD% A 49 ALA HB% 1.0 0.0 3.35 819 726 A 49 ALA HB% A 46 PHE HD% 1.0 0.0 5.50 820 727 A 46 PHE HE% A 49 ALA HB% 1.0 0.0 5.50 821 728 A 49 ALA HB% A 50 LYS H 1.0 0.0 3.83 822 729 A 49 ALA HB% A 49 ALA H 1.0 0.0 3.42 823 730 A 53 LEU HD1% A 50 LYS HA 1.0 0.0 4.98 824 731 A 49 ALA HA A 50 LYS HA 1.0 0.0 5.50 825 732 A 50 LYS HA A 50 LYS HEx 1.0 0.0 5.50 826 732 A 50 LYS HA A 50 LYS HEy 1.0 0.0 5.50 827 733 A 50 LYS H A 50 LYS HBx 1.0 0.0 3.93 828 734 A 50 LYS HA A 50 LYS HDx 1.0 0.0 5.25 829 734 A 50 LYS HA A 50 LYS HDy 1.0 0.0 5.25 830 735 A 46 PHE HD% A 50 LYS HDx 1.0 0.0 5.50 831 735 A 46 PHE HD% A 50 LYS HDy 1.0 0.0 5.50 832 736 A 46 PHE HE% A 50 LYS HDx 1.0 0.0 4.81 833 736 A 46 PHE HE% A 50 LYS HDy 1.0 0.0 4.81 834 737 A 46 PHE HD% A 50 LYS HEx 1.0 0.0 5.50 835 737 A 46 PHE HD% A 50 LYS HEy 1.0 0.0 5.50 836 738 A 46 PHE HE% A 50 LYS HEx 1.0 0.0 5.50 837 738 A 46 PHE HE% A 50 LYS HEy 1.0 0.0 5.50 838 739 A 50 LYS HGy A 50 LYS H 1.0 0.0 5.50 839 740 A 50 LYS H A 50 LYS HGx 1.0 0.0 5.50 840 741 A 48 LYS HA A 51 GLU HBx 1.0 0.0 4.66 841 741 A 51 GLU HBy A 48 LYS HA 1.0 0.0 4.66 842 742 A 9 GLU HA A 9 GLU HGx 1.0 0.0 4.13 843 742 A 9 GLU HGy A 9 GLU HA 1.0 0.0 4.13 844 743 A 51 GLU HGy A 51 GLU H 1.0 0.0 4.68 845 744 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.68 846 745 A 32 TYR HE% A 52 HIS HBx 1.0 0.0 5.44 847 746 A 50 LYS HA A 53 LEU HBy 1.0 0.0 5.50 848 747 A 50 LYS HA A 53 LEU HBx 1.0 0.0 5.50 849 748 A 4 LEU HD2% A 34 ARG HDx 1.0 0.0 5.50 850 749 A 53 LEU HD2% A 53 LEU HA 1.0 0.0 3.59 851 750 A 4 LEU HD2% A 34 ARG H 1.0 0.0 5.50 852 751 A 49 ALA HB% A 53 LEU HD1% 1.0 0.0 4.92 853 752 A 49 ALA HA A 53 LEU HD1% 1.0 0.0 5.50 854 753 A 53 LEU HD1% A 32 TYR HBx 1.0 0.0 5.50 855 754 A 53 LEU HD1% A 53 LEU HA 1.0 0.0 5.50 856 755 A 52 HIS HD2 A 53 LEU HG 1.0 0.0 4.33 857 756 A 53 LEU HG A 53 LEU H 1.0 0.0 4.37 858 757 A 56 LEU HD1% A 56 LEU HA 1.0 0.0 4.47 859 758 A 56 LEU HD2% A 56 LEU HA 1.0 0.0 3.83 860 759 A 57 GLU HGx A 57 GLU H 1.0 0.0 5.50 861 760 A 36 ILE HG2% A 35 GLU H 1.0 0.0 5.50 862 761 A 4 LEU HD2% A 34 ARG HDy 1.0 0.0 5.50 863 762 A 31 ASN HA A 34 ARG HDy 1.0 0.0 5.28 864 763 A 31 ASN HA A 34 ARG HDx 1.0 0.0 5.28 865 764 A 43 ALA HB% A 47 ARG HDx 1.0 0.0 5.50 866 764 A 43 ALA HB% A 47 ARG HDy 1.0 0.0 5.50 867 765 A 44 ASP HA A 47 ARG HDx 1.0 0.0 4.72 868 765 A 44 ASP HA A 47 ARG HDy 1.0 0.0 4.72 869 766 A 4 LEU HD1% A 34 ARG HGx 1.0 0.0 4.89 870 766 A 4 LEU HD1% A 34 ARG HGy 1.0 0.0 4.89 871 767 A 4 LEU HD2% A 34 ARG HGx 1.0 0.0 5.50 872 767 A 4 LEU HD2% A 34 ARG HGy 1.0 0.0 5.50 873 768 A 41 VAL HG1% A 6 TRP HBx 1.0 0.0 5.50 874 768 A 6 TRP HBy A 41 VAL HG1% 1.0 0.0 5.50 875 769 A 7 THR HG2% A 10 ALA H 1.0 0.0 5.50 876 770 A 9 GLU HA A 8 ALA H 1.0 0.0 5.50 877 771 A 9 GLU HA A 43 ALA H 1.0 0.0 5.50 878 772 A 10 ALA HA A 46 PHE HB3 1.0 0.0 5.32 879 773 A 6 TRP HE3 A 11 GLU HGy 1.0 0.0 5.50 880 774 A 43 ALA HB% A 13 MET HE% 1.0 0.0 3.53 881 775 A 43 ALA HB% A 13 MET HGy 1.0 0.0 5.50 882 776 A 43 ALA HB% A 13 MET HGx 1.0 0.0 5.50 883 777 A 14 LEU HBx A 15 GLY H 1.0 0.0 4.66 884 778 A 14 LEU HG A 22 ARG HE 1.0 0.0 5.50 885 779 A 17 VAL HG1% A 22 ARG HBy 1.0 0.0 5.50 886 780 A 17 VAL HG1% A 22 ARG HBx 1.0 0.0 5.50 887 781 A 17 VAL HG1% A 22 ARG HGx 1.0 0.0 4.62 888 781 A 17 VAL HG1% A 22 ARG HGy 1.0 0.0 4.62 889 782 A 14 LEU HD1% A 22 ARG HGx 1.0 0.0 5.36 890 782 A 14 LEU HD1% A 22 ARG HGy 1.0 0.0 5.36 891 783 A 25 VAL HG2% A 24 LYS HA 1.0 0.0 5.50 892 784 A 40 VAL HA A 5 SER HBx 1.0 0.0 5.38 893 784 A 5 SER HBy A 40 VAL HA 1.0 0.0 5.38 894 785 A 15 GLY HAy A 22 ARG HDx 1.0 0.0 5.04 895 785 A 15 GLY HAx A 22 ARG HDx 1.0 0.0 5.04 896 785 A 22 ARG HDy A 15 GLY HAx 1.0 0.0 5.04 897 785 A 15 GLY HAy A 22 ARG HDy 1.0 0.0 5.04 898 786 A 18 PRO HB2 A 20 PHE HE% 1.0 0.0 5.50 899 787 A 18 PRO HB2 A 22 ARG H 1.0 0.0 5.50 900 788 A 25 VAL HG1% A 46 PHE HZ 1.0 0.0 4.32 901 789 A 49 ALA HB% A 32 TYR HBy 1.0 0.0 5.13 902 790 A 53 LEU HD2% A 32 TYR HBy 1.0 0.0 5.50 903 791 A 53 LEU HD1% A 32 TYR HBy 1.0 0.0 5.50 904 792 A 32 TYR H A 32 TYR HBy 1.0 0.0 4.06 905 793 A 33 ALA HB% A 32 TYR HD% 1.0 0.0 5.50 906 794 A 33 ALA HB% A 36 ILE H 1.0 0.0 5.50 907 795 A 9 GLU HBx A 10 ALA H 1.0 0.0 4.26 908 796 A 41 VAL HG1% A 45 VAL HG1% 1.0 0.0 3.94 909 797 A 42 THR HB A 44 ASP H 1.0 0.0 3.55 910 798 A 42 THR HG2% A 45 VAL HB 1.0 0.0 5.50 911 799 A 13 MET HE% A 46 PHE HB3 1.0 0.0 4.51 912 800 A 56 LEU HG A 56 LEU H 1.0 0.0 5.26 913 801 A 29 THR HG2% A 46 PHE H 1.0 0.0 5.50 914 802 A 45 VAL HG1% A 38 GLU HB2 1.0 0.0 5.50 915 803 A 44 ASP HA A 47 ARG H 1.0 0.0 4.65 916 804 A 41 VAL HG2% A 45 VAL HG2% 1.0 0.0 5.01 917 805 A 32 TYR HE% A 52 HIS HBy 1.0 0.0 5.44 918 806 A 6 TRP HD1 A 4 LEU HB2 1.0 0.0 4.79 919 807 A 5 SER HA A 6 TRP HD1 1.0 0.0 3.97 920 808 A 6 TRP HD1 A 6 TRP HA 1.0 0.0 4.31 921 809 A 10 ALA HB% A 6 TRP HE3 1.0 0.0 3.61 922 810 A 6 TRP HE3 A 6 TRP HBx 1.0 0.0 3.52 923 810 A 6 TRP HBy A 6 TRP HE3 1.0 0.0 3.52 924 811 A 6 TRP HA A 6 TRP HE3 1.0 0.0 4.88 925 812 A 6 TRP HE3 A 11 GLU H 1.0 0.0 4.38 926 813 A 29 THR HG2% A 6 TRP HH2 1.0 0.0 4.13 927 814 A 26 ARG HA A 6 TRP HH2 1.0 0.0 4.33 928 815 A 29 THR HG1 A 6 TRP HH2 1.0 0.0 4.46 929 816 A 46 PHE HE% A 6 TRP HH2 1.0 0.0 4.35 930 817 A 46 PHE HD% A 6 TRP HH2 1.0 0.0 5.26 931 818 A 41 VAL HG2% A 6 TRP HZ2 1.0 0.0 4.28 932 819 A 14 LEU HD2% A 6 TRP HZ2 1.0 0.0 5.39 933 820 A 26 ARG HA A 6 TRP HZ2 1.0 0.0 3.36 934 821 A 29 THR HG1 A 6 TRP HZ2 1.0 0.0 3.14 935 822 A 6 TRP HZ2 A 29 THR H 1.0 0.0 4.90 936 823 A 6 TRP HZ2 A 30 ASP H 1.0 0.0 4.20 937 824 A 6 TRP HZ3 A 14 LEU HD1% 1.0 0.0 4.74 938 825 A 10 ALA HB% A 6 TRP HZ3 1.0 0.0 4.97 939 826 A 6 TRP HZ3 A 46 PHE HE% 1.0 0.0 5.29 940 827 A 32 TYR HD% A 45 VAL HG1% 1.0 0.0 3.54 941 828 A 32 TYR HD% A 29 THR HB 1.0 0.0 5.01 942 829 A 45 VAL HG1% A 32 TYR HE% 1.0 0.0 3.85 943 830 A 49 ALA HB% A 32 TYR HE% 1.0 0.0 4.61 944 831 A 32 TYR HE% A 33 ALA HA 1.0 0.0 5.50 945 832 A 19 PHE HD% A 19 PHE HA 1.0 0.0 4.42 946 833 A 19 PHE HD% A 18 PRO HA 1.0 0.0 5.30 947 834 A 19 PHE HD% A 20 PHE HA 1.0 0.0 5.50 948 835 A 20 PHE HA A 20 PHE HD% 1.0 0.0 4.27 949 836 A 20 PHE HD% A 20 PHE H 1.0 0.0 4.87 950 837 A 13 MET HE% A 46 PHE HD% 1.0 0.0 3.94 951 838 A 46 PHE HA A 46 PHE HD% 1.0 0.0 4.00 952 839 A 6 TRP HZ3 A 46 PHE HD% 1.0 0.0 3.89 953 840 A 46 PHE HD% A 47 ARG H 1.0 0.0 4.87 954 841 A 46 PHE HD% A 46 PHE H 1.0 0.0 5.13 955 842 A 14 LEU HD1% A 46 PHE HZ 1.0 0.0 4.01 956 843 A 17 VAL HG2% A 46 PHE HZ 1.0 0.0 3.85 957 844 A 14 LEU HA A 46 PHE HZ 1.0 0.0 4.12 958 845 A 53 LEU HD2% A 52 HIS HD2 1.0 0.0 3.85 959 846 A 41 VAL HG1% A 6 TRP HZ2 1.0 0.0 4.53 960 847 A 41 VAL HG1% A 6 TRP HH2 1.0 0.0 5.07 961 848 A 6 TRP HZ2 A 26 ARG HGx 1.0 0.0 4.19 962 849 A 18 PRO HB2 A 20 PHE HD% 1.0 0.0 5.07 963 850 A 46 PHE HE% A 46 PHE HA 1.0 0.0 4.76 964 851 A 4 LEU HD1% A 30 ASP HBx 1.0 0.0 4.93 965 851 A 4 LEU HD1% A 30 ASP HBy 1.0 0.0 4.93 966 852 A 4 LEU HD1% A 34 ARG HBx 1.0 0.0 4.57 967 852 A 4 LEU HD1% A 34 ARG HBy 1.0 0.0 4.57 968 853 A 4 LEU HD1% A 34 ARG HDx 1.0 0.0 5.34 969 853 A 4 LEU HD1% A 34 ARG HDy 1.0 0.0 5.34 970 854 A 4 LEU HD2% A 34 ARG HBx 1.0 0.0 5.34 971 854 A 4 LEU HD2% A 34 ARG HBy 1.0 0.0 5.34 972 855 A 4 LEU HD2% A 39 PRO HBy 1.0 0.0 4.76 973 855 A 4 LEU HD2% A 39 PRO HBx 1.0 0.0 4.76 974 856 A 4 LEU HD2% A 39 PRO HGy 1.0 0.0 5.35 975 856 A 4 LEU HD2% A 39 PRO HGx 1.0 0.0 5.35 976 857 A 6 TRP HBx A 11 GLU HBy 1.0 0.0 5.34 977 857 A 6 TRP HBy A 11 GLU HBy 1.0 0.0 5.34 978 857 A 11 GLU HBx A 6 TRP HBx 1.0 0.0 5.34 979 857 A 6 TRP HBy A 11 GLU HBx 1.0 0.0 5.34 980 858 A 6 TRP HBy A 11 GLU HGx 1.0 0.0 4.03 981 858 A 11 GLU HGy A 6 TRP HBx 1.0 0.0 4.03 982 858 A 6 TRP HBy A 11 GLU HGy 1.0 0.0 4.03 983 858 A 6 TRP HBx A 11 GLU HGx 1.0 0.0 4.03 984 859 A 6 TRP HZ3 A 14 LEU HBy 1.0 0.0 3.90 985 859 A 6 TRP HZ3 A 14 LEU HBx 1.0 0.0 3.90 986 860 A 6 TRP HZ2 A 26 ARG HBx 1.0 0.0 4.64 987 860 A 6 TRP HZ2 A 26 ARG HBy 1.0 0.0 4.64 988 861 A 6 TRP HZ2 A 26 ARG HGx 1.0 0.0 3.58 989 861 A 6 TRP HZ2 A 26 ARG HGy 1.0 0.0 3.58 990 862 A 6 TRP HH2 A 14 LEU HBy 1.0 0.0 4.65 991 862 A 6 TRP HH2 A 14 LEU HBx 1.0 0.0 4.65 992 863 A 6 TRP HH2 A 26 ARG HGx 1.0 0.0 5.34 993 863 A 6 TRP HH2 A 26 ARG HGy 1.0 0.0 5.34 994 864 A 7 THR HG1 A 9 GLU HBy 1.0 0.0 4.75 995 864 A 7 THR HG1 A 9 GLU HBx 1.0 0.0 4.75 996 865 A 9 GLU HBx A 9 GLU H 1.0 0.0 3.31 997 865 A 9 GLU H A 9 GLU HBy 1.0 0.0 3.31 998 866 A 42 THR HA A 9 GLU HBy 1.0 0.0 5.00 999 866 A 42 THR HA A 9 GLU HBx 1.0 0.0 5.00 1000 867 A 9 GLU HBx A 43 ALA H 1.0 0.0 5.31 1001 867 A 43 ALA H A 9 GLU HBy 1.0 0.0 5.31 1002 868 A 43 ALA HB% A 9 GLU HBy 1.0 0.0 4.38 1003 868 A 43 ALA HB% A 9 GLU HBx 1.0 0.0 4.38 1004 869 A 10 ALA HA A 13 MET HBx 1.0 0.0 4.02 1005 869 A 10 ALA HA A 13 MET HBy 1.0 0.0 4.02 1006 870 A 10 ALA HA A 13 MET HGx 1.0 0.0 4.92 1007 870 A 10 ALA HA A 13 MET HGy 1.0 0.0 4.92 1008 871 A 11 GLU HBx A 11 GLU H 1.0 0.0 3.56 1009 871 A 11 GLU H A 11 GLU HBy 1.0 0.0 3.56 1010 872 A 11 GLU HA A 14 LEU HBy 1.0 0.0 5.28 1011 872 A 11 GLU HA A 14 LEU HBx 1.0 0.0 5.28 1012 873 A 12 LYS H A 11 GLU HBy 1.0 0.0 3.98 1013 873 A 11 GLU HBx A 12 LYS H 1.0 0.0 3.98 1014 874 A 12 LYS H A 11 GLU HGx 1.0 0.0 5.34 1015 874 A 11 GLU HGy A 12 LYS H 1.0 0.0 5.34 1016 875 A 12 LYS HGy A 12 LYS H 1.0 0.0 4.00 1017 875 A 12 LYS H A 12 LYS HGx 1.0 0.0 4.00 1018 876 A 13 MET HGy A 12 LYS H 1.0 0.0 5.34 1019 876 A 12 LYS H A 13 MET HGx 1.0 0.0 5.34 1020 877 A 12 LYS HA A 12 LYS HGx 1.0 0.0 3.74 1021 877 A 12 LYS HA A 12 LYS HGy 1.0 0.0 3.74 1022 878 A 12 LYS HBy A 13 MET HGx 1.0 0.0 5.34 1023 878 A 12 LYS HBx A 13 MET HGx 1.0 0.0 5.34 1024 878 A 13 MET HGy A 12 LYS HBx 1.0 0.0 5.34 1025 878 A 12 LYS HBy A 13 MET HGy 1.0 0.0 5.34 1026 879 A 12 LYS HGy A 13 MET H 1.0 0.0 5.07 1027 879 A 13 MET H A 12 LYS HGx 1.0 0.0 5.07 1028 880 A 13 MET HBy A 13 MET H 1.0 0.0 3.33 1029 880 A 13 MET H A 13 MET HBx 1.0 0.0 3.33 1030 881 A 13 MET HGy A 13 MET H 1.0 0.0 3.50 1031 881 A 13 MET H A 13 MET HGx 1.0 0.0 3.50 1032 882 A 13 MET HA A 13 MET HGx 1.0 0.0 3.71 1033 882 A 13 MET HA A 13 MET HGy 1.0 0.0 3.71 1034 883 A 13 MET HA A 16 LYS HGx 1.0 0.0 5.34 1035 883 A 13 MET HA A 16 LYS HGy 1.0 0.0 5.34 1036 884 A 13 MET HBy A 14 LEU H 1.0 0.0 4.00 1037 884 A 14 LEU H A 13 MET HBx 1.0 0.0 4.00 1038 885 A 46 PHE HD% A 13 MET HBx 1.0 0.0 4.68 1039 885 A 46 PHE HD% A 13 MET HBy 1.0 0.0 4.68 1040 886 A 46 PHE HE% A 13 MET HBx 1.0 0.0 5.34 1041 886 A 46 PHE HE% A 13 MET HBy 1.0 0.0 5.34 1042 887 A 46 PHE HD% A 13 MET HGx 1.0 0.0 5.34 1043 887 A 46 PHE HD% A 13 MET HGy 1.0 0.0 5.34 1044 888 A 46 PHE HE% A 13 MET HGx 1.0 0.0 5.34 1045 888 A 46 PHE HE% A 13 MET HGy 1.0 0.0 5.34 1046 889 A 14 LEU HBx A 14 LEU H 1.0 0.0 3.46 1047 889 A 14 LEU H A 14 LEU HBy 1.0 0.0 3.46 1048 890 A 15 GLY H A 14 LEU HBy 1.0 0.0 3.88 1049 890 A 14 LEU HBx A 15 GLY H 1.0 0.0 3.88 1050 891 A 46 PHE HE% A 14 LEU HBy 1.0 0.0 4.54 1051 891 A 46 PHE HE% A 14 LEU HBx 1.0 0.0 4.54 1052 892 A 14 LEU HD2% A 26 ARG HBx 1.0 0.0 4.51 1053 892 A 14 LEU HD2% A 26 ARG HBy 1.0 0.0 4.51 1054 893 A 14 LEU HD2% A 26 ARG HGx 1.0 0.0 4.89 1055 893 A 14 LEU HD2% A 26 ARG HGy 1.0 0.0 4.89 1056 894 A 14 LEU HD2% A 26 ARG HDx 1.0 0.0 4.42 1057 894 A 14 LEU HD2% A 26 ARG HDy 1.0 0.0 4.42 1058 895 A 15 GLY HAx A 16 LYS HGx 1.0 0.0 5.34 1059 895 A 15 GLY HAy A 16 LYS HGx 1.0 0.0 5.34 1060 895 A 16 LYS HGy A 15 GLY HAx 1.0 0.0 5.34 1061 895 A 15 GLY HAy A 16 LYS HGy 1.0 0.0 5.34 1062 896 A 16 LYS HBy A 16 LYS H 1.0 0.0 3.44 1063 896 A 16 LYS H A 16 LYS HBx 1.0 0.0 3.44 1064 897 A 16 LYS HGy A 16 LYS H 1.0 0.0 3.82 1065 897 A 16 LYS H A 16 LYS HGx 1.0 0.0 3.82 1066 898 A 16 LYS HA A 16 LYS HGx 1.0 0.0 3.74 1067 898 A 16 LYS HA A 16 LYS HGy 1.0 0.0 3.74 1068 899 A 16 LYS HBx A 16 LYS HEx 1.0 0.0 4.74 1069 899 A 16 LYS HBy A 16 LYS HEx 1.0 0.0 4.74 1070 899 A 16 LYS HEy A 16 LYS HBx 1.0 0.0 4.74 1071 899 A 16 LYS HEy A 16 LYS HBy 1.0 0.0 4.74 1072 900 A 17 VAL H A 16 LYS HBx 1.0 0.0 4.35 1073 900 A 16 LYS HBy A 17 VAL H 1.0 0.0 4.35 1074 901 A 17 VAL HB A 16 LYS HBx 1.0 0.0 4.78 1075 901 A 17 VAL HB A 16 LYS HBy 1.0 0.0 4.78 1076 902 A 17 VAL HG2% A 16 LYS HBx 1.0 0.0 4.56 1077 902 A 17 VAL HG2% A 16 LYS HBy 1.0 0.0 4.56 1078 903 A 16 LYS HGy A 17 VAL H 1.0 0.0 4.68 1079 903 A 17 VAL H A 16 LYS HGx 1.0 0.0 4.68 1080 904 A 17 VAL HB A 22 ARG HBy 1.0 0.0 4.57 1081 904 A 17 VAL HB A 22 ARG HBx 1.0 0.0 4.57 1082 905 A 17 VAL HG1% A 22 ARG HBy 1.0 0.0 4.66 1083 905 A 17 VAL HG1% A 22 ARG HBx 1.0 0.0 4.66 1084 906 A 20 PHE H A 19 PHE HBx 1.0 0.0 4.30 1085 906 A 19 PHE HBy A 20 PHE H 1.0 0.0 4.30 1086 907 A 19 PHE HD% A 22 ARG HBy 1.0 0.0 5.34 1087 907 A 19 PHE HD% A 22 ARG HBx 1.0 0.0 5.34 1088 908 A 20 PHE HBy A 20 PHE H 1.0 0.0 3.64 1089 908 A 20 PHE H A 20 PHE HBx 1.0 0.0 3.64 1090 909 A 21 VAL HG1% A 20 PHE HBx 1.0 0.0 4.61 1091 909 A 21 VAL HG1% A 20 PHE HBy 1.0 0.0 4.61 1092 910 A 22 ARG H A 20 PHE HBx 1.0 0.0 5.34 1093 910 A 20 PHE HBy A 22 ARG H 1.0 0.0 5.34 1094 911 A 21 VAL HG2% A 22 ARG HBy 1.0 0.0 5.34 1095 911 A 21 VAL HG2% A 22 ARG HBx 1.0 0.0 5.34 1096 912 A 22 ARG HE A 22 ARG HBy 1.0 0.0 4.37 1097 912 A 22 ARG HE A 22 ARG HBx 1.0 0.0 4.37 1098 913 A 22 ARG HBx A 23 LYS H 1.0 0.0 4.29 1099 913 A 23 LYS H A 22 ARG HBy 1.0 0.0 4.29 1100 914 A 23 LYS HGx A 23 LYS H 1.0 0.0 4.70 1101 914 A 23 LYS H A 23 LYS HGy 1.0 0.0 4.70 1102 915 A 23 LYS HA A 26 ARG HDx 1.0 0.0 5.34 1103 915 A 23 LYS HA A 26 ARG HDy 1.0 0.0 5.34 1104 916 A 24 LYS H A 23 LYS HGy 1.0 0.0 5.34 1105 916 A 23 LYS HGx A 24 LYS H 1.0 0.0 5.34 1106 917 A 24 LYS HBx A 28 ASN HD2x 1.0 0.0 5.34 1107 917 A 24 LYS HBy A 28 ASN HD2x 1.0 0.0 5.34 1108 917 A 28 ASN HD2y A 24 LYS HBx 1.0 0.0 5.34 1109 917 A 24 LYS HBy A 28 ASN HD2y 1.0 0.0 5.34 1110 918 A 24 LYS HGx A 28 ASN HD2x 1.0 0.0 4.76 1111 918 A 24 LYS HGy A 28 ASN HD2x 1.0 0.0 4.76 1112 918 A 28 ASN HD2y A 24 LYS HGx 1.0 0.0 4.76 1113 918 A 28 ASN HD2y A 24 LYS HGy 1.0 0.0 4.76 1114 919 A 25 VAL HA A 28 ASN HBy 1.0 0.0 3.94 1115 919 A 25 VAL HA A 28 ASN HBx 1.0 0.0 3.94 1116 920 A 25 VAL HA A 28 ASN HD2x 1.0 0.0 4.95 1117 920 A 25 VAL HA A 28 ASN HD2y 1.0 0.0 4.95 1118 921 A 25 VAL HG1% A 28 ASN HBy 1.0 0.0 5.34 1119 921 A 25 VAL HG1% A 28 ASN HBx 1.0 0.0 5.34 1120 922 A 25 VAL HG1% A 28 ASN HD2x 1.0 0.0 5.34 1121 922 A 25 VAL HG1% A 28 ASN HD2y 1.0 0.0 5.34 1122 923 A 25 VAL HG2% A 28 ASN HD2x 1.0 0.0 5.34 1123 923 A 25 VAL HG2% A 28 ASN HD2y 1.0 0.0 5.34 1124 924 A 26 ARG HGy A 26 ARG H 1.0 0.0 5.03 1125 924 A 26 ARG H A 26 ARG HGx 1.0 0.0 5.03 1126 925 A 26 ARG HDy A 26 ARG H 1.0 0.0 5.34 1127 925 A 26 ARG H A 26 ARG HDx 1.0 0.0 5.34 1128 926 A 28 ASN HBx A 26 ARG H 1.0 0.0 5.34 1129 926 A 26 ARG H A 28 ASN HBy 1.0 0.0 5.34 1130 927 A 26 ARG HA A 26 ARG HDx 1.0 0.0 4.83 1131 927 A 26 ARG HA A 26 ARG HDy 1.0 0.0 4.83 1132 928 A 26 ARG HE A 26 ARG HBx 1.0 0.0 5.34 1133 928 A 26 ARG HE A 26 ARG HBy 1.0 0.0 5.34 1134 929 A 27 LYS H A 26 ARG HBx 1.0 0.0 3.88 1135 929 A 26 ARG HBy A 27 LYS H 1.0 0.0 3.88 1136 930 A 27 LYS H A 26 ARG HGx 1.0 0.0 4.58 1137 930 A 26 ARG HGy A 27 LYS H 1.0 0.0 4.58 1138 931 A 26 ARG HGy A 30 ASP H 1.0 0.0 5.34 1139 931 A 30 ASP H A 26 ARG HGx 1.0 0.0 5.34 1140 932 A 27 LYS HA A 30 ASP HBx 1.0 0.0 3.79 1141 932 A 27 LYS HA A 30 ASP HBy 1.0 0.0 3.79 1142 933 A 27 LYS HBx A 27 LYS HEy 1.0 0.0 4.19 1143 933 A 27 LYS HBy A 27 LYS HEy 1.0 0.0 4.19 1144 933 A 27 LYS HEx A 27 LYS HBx 1.0 0.0 4.19 1145 933 A 27 LYS HBy A 27 LYS HEx 1.0 0.0 4.19 1146 934 A 27 LYS HEy A 27 LYS HGy 1.0 0.0 3.34 1147 934 A 27 LYS HEx A 27 LYS HGy 1.0 0.0 3.34 1148 934 A 27 LYS HGx A 27 LYS HEy 1.0 0.0 3.34 1149 934 A 27 LYS HEx A 27 LYS HGx 1.0 0.0 3.34 1150 935 A 28 ASN HBx A 28 ASN H 1.0 0.0 3.41 1151 935 A 28 ASN H A 28 ASN HBy 1.0 0.0 3.41 1152 936 A 28 ASN HD2y A 28 ASN H 1.0 0.0 5.34 1153 936 A 28 ASN H A 28 ASN HD2x 1.0 0.0 5.34 1154 937 A 28 ASN HA A 31 ASN HBx 1.0 0.0 3.20 1155 937 A 28 ASN HA A 31 ASN HBy 1.0 0.0 3.20 1156 938 A 28 ASN HBx A 29 THR H 1.0 0.0 3.99 1157 938 A 29 THR H A 28 ASN HBy 1.0 0.0 3.99 1158 939 A 29 THR HG2% A 28 ASN HBy 1.0 0.0 5.34 1159 939 A 29 THR HG2% A 28 ASN HBx 1.0 0.0 5.34 1160 940 A 53 LEU HD1% A 28 ASN HBy 1.0 0.0 4.64 1161 940 A 53 LEU HD1% A 28 ASN HBx 1.0 0.0 4.64 1162 941 A 53 LEU HD2% A 28 ASN HBy 1.0 0.0 4.36 1163 941 A 53 LEU HD2% A 28 ASN HBx 1.0 0.0 4.36 1164 942 A 53 LEU HD1% A 28 ASN HD2x 1.0 0.0 5.34 1165 942 A 53 LEU HD1% A 28 ASN HD2y 1.0 0.0 5.34 1166 943 A 53 LEU HD2% A 28 ASN HD2x 1.0 0.0 5.34 1167 943 A 53 LEU HD2% A 28 ASN HD2y 1.0 0.0 5.34 1168 944 A 29 THR HB A 30 ASP HBx 1.0 0.0 5.34 1169 944 A 29 THR HB A 30 ASP HBy 1.0 0.0 5.34 1170 945 A 29 THR HB A 32 TYR HBy 1.0 0.0 4.05 1171 945 A 29 THR HB A 32 TYR HBx 1.0 0.0 4.05 1172 946 A 30 ASP HBy A 30 ASP H 1.0 0.0 3.39 1173 946 A 30 ASP H A 30 ASP HBx 1.0 0.0 3.39 1174 947 A 31 ASN H A 30 ASP HBx 1.0 0.0 3.94 1175 947 A 30 ASP HBy A 31 ASN H 1.0 0.0 3.94 1176 948 A 31 ASN HBy A 31 ASN H 1.0 0.0 3.29 1177 948 A 31 ASN H A 31 ASN HBx 1.0 0.0 3.29 1178 949 A 31 ASN HA A 34 ARG HBx 1.0 0.0 4.40 1179 949 A 31 ASN HA A 34 ARG HBy 1.0 0.0 4.40 1180 950 A 31 ASN HBy A 32 TYR H 1.0 0.0 4.29 1181 950 A 32 TYR H A 31 ASN HBx 1.0 0.0 4.29 1182 951 A 31 ASN HBx A 34 ARG HBx 1.0 0.0 5.10 1183 951 A 31 ASN HBy A 34 ARG HBx 1.0 0.0 5.10 1184 951 A 34 ARG HBy A 31 ASN HBx 1.0 0.0 5.10 1185 951 A 34 ARG HBy A 31 ASN HBy 1.0 0.0 5.10 1186 952 A 32 TYR HBx A 32 TYR H 1.0 0.0 3.45 1187 952 A 32 TYR H A 32 TYR HBy 1.0 0.0 3.45 1188 953 A 32 TYR HA A 35 GLU HBy 1.0 0.0 4.32 1189 953 A 32 TYR HA A 35 GLU HBx 1.0 0.0 4.32 1190 954 A 32 TYR HA A 35 GLU HGx 1.0 0.0 5.23 1191 954 A 32 TYR HA A 35 GLU HGy 1.0 0.0 5.23 1192 955 A 32 TYR HBx A 33 ALA H 1.0 0.0 3.62 1193 955 A 33 ALA H A 32 TYR HBy 1.0 0.0 3.62 1194 956 A 33 ALA HB% A 32 TYR HBy 1.0 0.0 5.20 1195 956 A 33 ALA HB% A 32 TYR HBx 1.0 0.0 5.20 1196 957 A 32 TYR HBx A 34 ARG H 1.0 0.0 5.34 1197 957 A 34 ARG H A 32 TYR HBy 1.0 0.0 5.34 1198 958 A 49 ALA HB% A 32 TYR HBy 1.0 0.0 4.36 1199 958 A 49 ALA HB% A 32 TYR HBx 1.0 0.0 4.36 1200 959 A 53 LEU HD1% A 32 TYR HBy 1.0 0.0 4.85 1201 959 A 53 LEU HD1% A 32 TYR HBx 1.0 0.0 4.85 1202 960 A 32 TYR HD% A 35 GLU HBy 1.0 0.0 4.83 1203 960 A 32 TYR HD% A 35 GLU HBx 1.0 0.0 4.83 1204 961 A 32 TYR HD% A 36 ILE HG1x 1.0 0.0 5.34 1205 961 A 32 TYR HD% A 36 ILE HG1y 1.0 0.0 5.34 1206 962 A 32 TYR HD% A 48 LYS HBx 1.0 0.0 5.34 1207 962 A 32 TYR HD% A 48 LYS HBy 1.0 0.0 5.34 1208 963 A 32 TYR HE% A 48 LYS HBx 1.0 0.0 3.33 1209 963 A 32 TYR HE% A 48 LYS HBy 1.0 0.0 3.33 1210 964 A 32 TYR HE% A 48 LYS HGx 1.0 0.0 4.69 1211 964 A 32 TYR HE% A 48 LYS HGy 1.0 0.0 4.69 1212 965 A 32 TYR HE% A 52 HIS HBy 1.0 0.0 4.72 1213 965 A 32 TYR HE% A 52 HIS HBx 1.0 0.0 4.72 1214 966 A 33 ALA HA A 36 ILE HG1x 1.0 0.0 3.80 1215 966 A 33 ALA HA A 36 ILE HG1y 1.0 0.0 3.80 1216 967 A 33 ALA HB% A 36 ILE HG1x 1.0 0.0 4.23 1217 967 A 33 ALA HB% A 36 ILE HG1y 1.0 0.0 4.23 1218 968 A 34 ARG HBy A 34 ARG H 1.0 0.0 3.24 1219 968 A 34 ARG H A 34 ARG HBx 1.0 0.0 3.24 1220 969 A 34 ARG HDy A 34 ARG H 1.0 0.0 5.34 1221 969 A 34 ARG H A 34 ARG HDx 1.0 0.0 5.34 1222 970 A 36 ILE HG1y A 34 ARG H 1.0 0.0 5.34 1223 970 A 34 ARG H A 36 ILE HG1x 1.0 0.0 5.34 1224 971 A 35 GLU HBx A 35 GLU H 1.0 0.0 3.32 1225 971 A 35 GLU H A 35 GLU HBy 1.0 0.0 3.32 1226 972 A 35 GLU HGy A 35 GLU H 1.0 0.0 4.18 1227 972 A 35 GLU H A 35 GLU HGx 1.0 0.0 4.18 1228 973 A 35 GLU HBx A 36 ILE H 1.0 0.0 3.98 1229 973 A 36 ILE H A 35 GLU HBy 1.0 0.0 3.98 1230 974 A 36 ILE HG2% A 35 GLU HBy 1.0 0.0 4.19 1231 974 A 36 ILE HG2% A 35 GLU HBx 1.0 0.0 4.19 1232 975 A 35 GLU HBy A 36 ILE HG1x 1.0 0.0 4.87 1233 975 A 35 GLU HBx A 36 ILE HG1x 1.0 0.0 4.87 1234 975 A 36 ILE HG1y A 35 GLU HBy 1.0 0.0 4.87 1235 975 A 35 GLU HBx A 36 ILE HG1y 1.0 0.0 4.87 1236 976 A 36 ILE HG1y A 36 ILE H 1.0 0.0 3.59 1237 976 A 36 ILE H A 36 ILE HG1x 1.0 0.0 3.59 1238 977 A 36 ILE HG1y A 37 GLY H 1.0 0.0 4.78 1239 977 A 37 GLY H A 36 ILE HG1x 1.0 0.0 4.78 1240 978 A 36 ILE HG1y A 38 GLU H 1.0 0.0 3.98 1241 978 A 38 GLU H A 36 ILE HG1x 1.0 0.0 3.98 1242 979 A 36 ILE HG1x A 38 GLU HGx 1.0 0.0 4.39 1243 979 A 36 ILE HG1y A 38 GLU HGx 1.0 0.0 4.39 1244 979 A 38 GLU HGy A 36 ILE HG1x 1.0 0.0 4.39 1245 979 A 36 ILE HG1y A 38 GLU HGy 1.0 0.0 4.39 1246 980 A 36 ILE HD1% A 38 GLU HGx 1.0 0.0 3.70 1247 980 A 36 ILE HD1% A 38 GLU HGy 1.0 0.0 3.70 1248 981 A 38 GLU HGy A 38 GLU H 1.0 0.0 4.05 1249 981 A 38 GLU H A 38 GLU HGx 1.0 0.0 4.05 1250 982 A 38 GLU HGy A 40 VAL H 1.0 0.0 5.34 1251 982 A 40 VAL H A 38 GLU HGx 1.0 0.0 5.34 1252 983 A 45 VAL HG1% A 38 GLU HGx 1.0 0.0 5.34 1253 983 A 45 VAL HG1% A 38 GLU HGy 1.0 0.0 5.34 1254 984 A 45 VAL HG2% A 38 GLU HGx 1.0 0.0 4.27 1255 984 A 45 VAL HG2% A 38 GLU HGy 1.0 0.0 4.27 1256 985 A 40 VAL HG2% A 39 PRO HBy 1.0 0.0 4.80 1257 985 A 40 VAL HG2% A 39 PRO HBx 1.0 0.0 4.80 1258 986 A 40 VAL H A 39 PRO HGy 1.0 0.0 4.50 1259 986 A 39 PRO HGx A 40 VAL H 1.0 0.0 4.50 1260 987 A 40 VAL HG2% A 39 PRO HGy 1.0 0.0 3.90 1261 987 A 40 VAL HG2% A 39 PRO HGx 1.0 0.0 3.90 1262 988 A 44 ASP HBy A 44 ASP H 1.0 0.0 3.41 1263 988 A 44 ASP H A 44 ASP HBx 1.0 0.0 3.41 1264 989 A 45 VAL HG2% A 44 ASP HBx 1.0 0.0 5.27 1265 989 A 45 VAL HG2% A 44 ASP HBy 1.0 0.0 5.27 1266 990 A 45 VAL HA A 48 LYS HBx 1.0 0.0 4.04 1267 990 A 45 VAL HA A 48 LYS HBy 1.0 0.0 4.04 1268 991 A 45 VAL HA A 48 LYS HDy 1.0 0.0 5.06 1269 991 A 45 VAL HA A 48 LYS HDx 1.0 0.0 5.06 1270 992 A 47 ARG HGx A 47 ARG H 1.0 0.0 4.52 1271 992 A 47 ARG H A 47 ARG HGy 1.0 0.0 4.52 1272 993 A 47 ARG HA A 47 ARG HGy 1.0 0.0 3.68 1273 993 A 47 ARG HA A 47 ARG HGx 1.0 0.0 3.68 1274 994 A 47 ARG HA A 50 LYS HGx 1.0 0.0 5.34 1275 994 A 47 ARG HA A 50 LYS HGy 1.0 0.0 5.34 1276 995 A 48 LYS HGy A 48 LYS H 1.0 0.0 4.06 1277 995 A 48 LYS H A 48 LYS HGx 1.0 0.0 4.06 1278 996 A 48 LYS HDx A 48 LYS H 1.0 0.0 5.30 1279 996 A 48 LYS H A 48 LYS HDy 1.0 0.0 5.30 1280 997 A 48 LYS HBx A 48 LYS HDy 1.0 0.0 3.29 1281 997 A 48 LYS HBy A 48 LYS HDy 1.0 0.0 3.29 1282 997 A 48 LYS HDx A 48 LYS HBx 1.0 0.0 3.29 1283 997 A 48 LYS HBy A 48 LYS HDx 1.0 0.0 3.29 1284 998 A 48 LYS HBx A 48 LYS HEx 1.0 0.0 4.24 1285 998 A 48 LYS HBy A 48 LYS HEx 1.0 0.0 4.24 1286 998 A 48 LYS HEy A 48 LYS HBx 1.0 0.0 4.24 1287 998 A 48 LYS HEy A 48 LYS HBy 1.0 0.0 4.24 1288 999 A 49 ALA H A 48 LYS HBx 1.0 0.0 3.84 1289 999 A 48 LYS HBy A 49 ALA H 1.0 0.0 3.84 1290 1000 A 50 LYS HBy A 50 LYS H 1.0 0.0 3.42 1291 1000 A 50 LYS H A 50 LYS HBx 1.0 0.0 3.42 1292 1001 A 50 LYS HBx A 50 LYS HEx 1.0 0.0 5.34 1293 1001 A 50 LYS HBy A 50 LYS HEx 1.0 0.0 5.34 1294 1001 A 50 LYS HEy A 50 LYS HBx 1.0 0.0 5.34 1295 1001 A 50 LYS HEy A 50 LYS HBy 1.0 0.0 5.34 1296 1002 A 50 LYS HBy A 51 GLU H 1.0 0.0 3.78 1297 1002 A 51 GLU H A 50 LYS HBx 1.0 0.0 3.78 1298 1003 A 50 LYS HGy A 51 GLU H 1.0 0.0 5.34 1299 1003 A 51 GLU H A 50 LYS HGx 1.0 0.0 5.34 1300 1004 A 51 GLU HGy A 51 GLU H 1.0 0.0 4.00 1301 1004 A 51 GLU H A 51 GLU HGx 1.0 0.0 4.00 1302 1005 A 52 HIS HBx A 52 HIS H 1.0 0.0 3.67 1303 1005 A 52 HIS H A 52 HIS HBy 1.0 0.0 3.67 1304 1006 A 53 LEU H A 52 HIS HBy 1.0 0.0 4.02 1305 1006 A 52 HIS HBx A 53 LEU H 1.0 0.0 4.02 1306 1007 A 53 LEU HBy A 53 LEU H 1.0 0.0 3.61 1307 1007 A 53 LEU H A 53 LEU HBx 1.0 0.0 3.61 1308 1008 A 54 GLY H A 53 LEU HBx 1.0 0.0 4.27 1309 1008 A 53 LEU HBy A 54 GLY H 1.0 0.0 4.27 1310 1009 A 53 LEU HBx A 54 GLY HAx 1.0 0.0 5.34 1311 1009 A 54 GLY HAy A 53 LEU HBx 1.0 0.0 5.34 1312 1009 A 53 LEU HBy A 54 GLY HAy 1.0 0.0 5.34 1313 1009 A 53 LEU HBy A 54 GLY HAx 1.0 0.0 5.34 1314 1010 A 53 LEU HBy A 55 GLY H 1.0 0.0 5.34 1315 1010 A 55 GLY H A 53 LEU HBx 1.0 0.0 5.34 1316 1011 A 55 GLY HAx A 56 LEU HBy 1.0 0.0 5.34 1317 1011 A 55 GLY HAy A 56 LEU HBy 1.0 0.0 5.34 1318 1011 A 56 LEU HBx A 55 GLY HAx 1.0 0.0 5.34 1319 1011 A 55 GLY HAy A 56 LEU HBx 1.0 0.0 5.34 1320 1012 A 56 LEU HBx A 56 LEU H 1.0 0.0 3.67 1321 1012 A 56 LEU H A 56 LEU HBy 1.0 0.0 3.67 1322 1013 A 57 GLU HGx A 57 GLU H 1.0 0.0 4.81 1323 1013 A 57 GLU H A 57 GLU HGy 1.0 0.0 4.81 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 LEU HD1% A 4 LEU H 1.0 . 5.50 2 2 A 4 LEU HD2% A 4 LEU H 1.0 . 5.50 3 3 A 4 LEU HD2% A 5 SER H 1.0 . 5.06 4 4 A 40 VAL HG2% A 5 SER H 1.0 . 5.50 5 5 A 5 SER H A 4 LEU HB3 1.0 . 4.34 6 6 A 4 LEU HA A 5 SER H 1.0 . 3.45 7 7 A 6 TRP HBy A 6 TRP H 1.0 . 3.63 8 7 A 6 TRP H A 6 TRP HBx 1.0 . 3.63 9 8 A 5 SER HBy A 6 TRP H 1.0 . 3.99 10 8 A 6 TRP H A 5 SER HBx 1.0 . 3.99 11 9 A 5 SER HA A 6 TRP H 1.0 . 3.25 12 10 A 6 TRP HD1 A 6 TRP H 1.0 . 3.79 13 11 A 6 TRP HE1 A 41 VAL HG2% 1.0 . 4.04 14 12 A 6 TRP HE1 A 41 VAL HB 1.0 . 5.04 15 13 A 6 TRP HE1 A 26 ARG HGx 1.0 . 5.50 16 14 A 6 TRP HE1 A 4 LEU HB3 1.0 . 5.50 17 15 A 6 TRP HE1 A 26 ARG HGy 1.0 . 5.50 18 16 A 6 TRP HE1 A 4 LEU HB2 1.0 . 5.17 19 17 A 6 TRP HE1 A 30 ASP HA 1.0 . 5.50 20 18 A 6 TRP H A 7 THR H 1.0 . 4.96 21 19 A 6 TRP HE1 A 30 ASP H 1.0 . 5.50 22 20 A 41 VAL HG1% A 7 THR H 1.0 . 5.50 23 21 A 41 VAL HB A 7 THR H 1.0 . 5.07 24 22 A 10 ALA HB% A 7 THR H 1.0 . 3.93 25 23 A 6 TRP HBy A 7 THR H 1.0 . 4.07 26 23 A 7 THR H A 6 TRP HBx 1.0 . 4.07 27 24 A 6 TRP HA A 7 THR H 1.0 . 3.33 28 25 A 7 THR H A 41 VAL H 1.0 . 5.50 29 26 A 7 THR HG2% A 8 ALA H 1.0 . 4.59 30 27 A 8 ALA HB% A 8 ALA H 1.0 . 3.45 31 28 A 7 THR HB A 8 ALA H 1.0 . 3.68 32 29 A 7 THR HG1 A 8 ALA H 1.0 . 5.50 33 30 A 8 ALA H A 10 ALA H 1.0 . 5.50 34 31 A 7 THR H A 8 ALA H 1.0 . 5.50 35 32 A 8 ALA H A 9 GLU H 1.0 . 4.20 36 33 A 10 ALA HB% A 9 GLU H 1.0 . 5.50 37 34 A 9 GLU HBx A 9 GLU H 1.0 . 3.81 38 35 A 7 THR HA A 9 GLU H 1.0 . 5.44 39 36 A 7 THR HB A 9 GLU H 1.0 . 4.13 40 37 A 7 THR HG1 A 9 GLU H 1.0 . 4.45 41 38 A 10 ALA H A 9 GLU H 1.0 . 3.86 42 39 A 9 GLU HGy A 10 ALA H 1.0 . 5.50 43 39 A 10 ALA H A 9 GLU HGx 1.0 . 5.50 44 40 A 42 THR HA A 10 ALA H 1.0 . 5.24 45 41 A 7 THR HB A 10 ALA H 1.0 . 4.98 46 42 A 7 THR HG1 A 10 ALA H 1.0 . 4.03 47 43 A 7 THR H A 10 ALA H 1.0 . 5.16 48 44 A 11 GLU HBx A 11 GLU H 1.0 . 4.16 49 45 A 11 GLU H A 11 GLU HBy 1.0 . 4.16 50 46 A 11 GLU H A 11 GLU HGx 1.0 . 4.43 51 47 A 6 TRP HBy A 11 GLU H 1.0 . 4.94 52 47 A 11 GLU H A 6 TRP HBx 1.0 . 4.94 53 48 A 10 ALA H A 11 GLU H 1.0 . 3.70 54 49 A 11 GLU H A 12 LYS H 1.0 . 3.82 55 50 A 12 LYS H A 12 LYS HGx 1.0 . 4.82 56 51 A 13 MET H A 13 MET HGx 1.0 . 4.27 57 52 A 10 ALA HA A 13 MET H 1.0 . 4.79 58 53 A 12 LYS H A 13 MET H 1.0 . 3.72 59 54 A 11 GLU H A 13 MET H 1.0 . 5.34 60 55 A 14 LEU HD2% A 14 LEU H 1.0 . 5.23 61 56 A 14 LEU HG A 14 LEU H 1.0 . 5.19 62 57 A 10 ALA HB% A 14 LEU H 1.0 . 5.50 63 58 A 14 LEU H A 13 MET HGx 1.0 . 5.50 64 59 A 6 TRP HZ3 A 14 LEU H 1.0 . 5.01 65 60 A 46 PHE HE% A 14 LEU H 1.0 . 5.50 66 61 A 13 MET H A 14 LEU H 1.0 . 3.81 67 62 A 14 LEU HD2% A 15 GLY H 1.0 . 5.50 68 63 A 14 LEU HD1% A 15 GLY H 1.0 . 5.50 69 64 A 14 LEU HG A 15 GLY H 1.0 . 5.45 70 65 A 15 GLY H A 14 LEU HBy 1.0 . 4.66 71 66 A 12 LYS HA A 15 GLY H 1.0 . 5.35 72 67 A 14 LEU H A 15 GLY H 1.0 . 3.90 73 68 A 16 LYS H A 16 LYS HGx 1.0 . 4.39 74 69 A 16 LYS HDy A 16 LYS H 1.0 . 5.03 75 69 A 16 LYS H A 16 LYS HDx 1.0 . 5.03 76 70 A 17 VAL HB A 16 LYS H 1.0 . 5.50 77 71 A 14 LEU HA A 16 LYS H 1.0 . 5.03 78 72 A 15 GLY H A 16 LYS H 1.0 . 3.72 79 73 A 14 LEU H A 16 LYS H 1.0 . 5.22 80 74 A 17 VAL HG2% A 17 VAL H 1.0 . 3.59 81 75 A 17 VAL H A 16 LYS HBx 1.0 . 5.02 82 76 A 16 LYS HBy A 17 VAL H 1.0 . 5.02 83 77 A 17 VAL HB A 17 VAL H 1.0 . 3.51 84 78 A 18 PRO HD2 A 17 VAL H 1.0 . 5.50 85 79 A 15 GLY HAy A 17 VAL H 1.0 . 5.12 86 79 A 17 VAL H A 15 GLY HAx 1.0 . 5.12 87 80 A 22 ARG HE A 17 VAL H 1.0 . 5.32 88 81 A 16 LYS H A 17 VAL H 1.0 . 3.54 89 82 A 18 PRO HGy A 19 PHE H 1.0 . 5.50 90 82 A 19 PHE H A 18 PRO HGx 1.0 . 5.50 91 83 A 19 PHE H A 19 PHE HBx 1.0 . 4.04 92 84 A 19 PHE HD% A 19 PHE H 1.0 . 5.32 93 85 A 21 VAL HG2% A 20 PHE H 1.0 . 5.50 94 86 A 21 VAL HG1% A 20 PHE H 1.0 . 5.50 95 87 A 18 PRO HB2 A 20 PHE H 1.0 . 5.31 96 88 A 20 PHE H A 18 PRO HB3 1.0 . 5.50 97 89 A 19 PHE H A 20 PHE H 1.0 . 5.25 98 90 A 21 VAL H A 22 ARG HBy 1.0 . 5.50 99 91 A 18 PRO HGy A 21 VAL H 1.0 . 4.92 100 91 A 21 VAL H A 18 PRO HGx 1.0 . 4.92 101 92 A 21 VAL H A 20 PHE HBx 1.0 . 5.50 102 93 A 20 PHE HBy A 21 VAL H 1.0 . 5.50 103 94 A 22 ARG HA A 21 VAL H 1.0 . 5.50 104 95 A 19 PHE HA A 21 VAL H 1.0 . 5.50 105 96 A 21 VAL H A 22 ARG H 1.0 . 3.20 106 97 A 20 PHE H A 21 VAL H 1.0 . 3.94 107 98 A 21 VAL HG2% A 22 ARG H 1.0 . 4.42 108 99 A 17 VAL HG1% A 22 ARG H 1.0 . 4.72 109 100 A 22 ARG HDy A 22 ARG H 1.0 . 5.50 110 100 A 22 ARG H A 22 ARG HDx 1.0 . 5.50 111 101 A 19 PHE HA A 22 ARG H 1.0 . 4.60 112 102 A 20 PHE HA A 22 ARG H 1.0 . 5.38 113 103 A 17 VAL HG2% A 22 ARG HE 1.0 . 5.49 114 104 A 22 ARG HE A 22 ARG HGy 1.0 . 4.14 115 104 A 22 ARG HE A 22 ARG HGx 1.0 . 4.14 116 105 A 17 VAL HB A 22 ARG HE 1.0 . 5.18 117 106 A 15 GLY HAy A 22 ARG HE 1.0 . 5.50 118 106 A 22 ARG HE A 15 GLY HAx 1.0 . 5.50 119 107 A 22 ARG HE A 19 PHE HA 1.0 . 5.30 120 108 A 22 ARG H A 23 LYS H 1.0 . 4.64 121 109 A 25 VAL HG2% A 24 LYS H 1.0 . 5.10 122 110 A 23 LYS HBy A 24 LYS H 1.0 . 3.82 123 110 A 24 LYS H A 23 LYS HBx 1.0 . 3.82 124 111 A 24 LYS HBy A 24 LYS H 1.0 . 3.29 125 111 A 24 LYS H A 24 LYS HBx 1.0 . 3.29 126 112 A 21 VAL HB A 24 LYS H 1.0 . 5.36 127 113 A 25 VAL HB A 24 LYS H 1.0 . 5.50 128 114 A 22 ARG HA A 24 LYS H 1.0 . 5.50 129 115 A 23 LYS H A 24 LYS H 1.0 . 3.95 130 116 A 24 LYS H A 26 ARG H 1.0 . 5.31 131 117 A 22 ARG HA A 25 VAL H 1.0 . 4.65 132 118 A 24 LYS H A 25 VAL H 1.0 . 3.75 133 119 A 26 ARG H A 25 VAL H 1.0 . 3.81 134 120 A 22 ARG HGy A 26 ARG H 1.0 . 5.50 135 120 A 26 ARG H A 22 ARG HGx 1.0 . 5.50 136 121 A 26 ARG H A 26 ARG HBx 1.0 . 3.67 137 122 A 25 VAL HB A 26 ARG H 1.0 . 3.95 138 123 A 22 ARG HA A 26 ARG H 1.0 . 5.31 139 124 A 27 LYS HGx A 27 LYS H 1.0 . 5.50 140 125 A 27 LYS H A 27 LYS HGy 1.0 . 5.50 141 126 A 27 LYS H A 26 ARG HBx 1.0 . 4.61 142 127 A 51 GLU HBy A 52 HIS H 1.0 . 4.25 143 127 A 52 HIS H A 51 GLU HBx 1.0 . 4.25 144 128 A 52 HIS H A 51 GLU H 1.0 . 3.82 145 129 A 26 ARG H A 27 LYS H 1.0 . 3.95 146 130 A 27 LYS H A 28 ASN H 1.0 . 3.85 147 131 A 25 VAL HG1% A 28 ASN H 1.0 . 5.50 148 132 A 29 THR HG2% A 28 ASN H 1.0 . 5.50 149 133 A 28 ASN H A 28 ASN HBy 1.0 . 4.15 150 134 A 27 LYS HBy A 29 THR H 1.0 . 5.29 151 134 A 29 THR H A 27 LYS HBx 1.0 . 5.29 152 135 A 25 VAL HA A 29 THR H 1.0 . 5.31 153 136 A 29 THR HG1 A 29 THR H 1.0 . 3.20 154 137 A 28 ASN H A 29 THR H 1.0 . 3.95 155 138 A 30 ASP H A 29 THR H 1.0 . 3.67 156 139 A 29 THR HG2% A 30 ASP H 1.0 . 4.58 157 140 A 29 THR HG1 A 30 ASP H 1.0 . 3.97 158 141 A 30 ASP H A 32 TYR H 1.0 . 4.86 159 142 A 29 THR H A 31 ASN H 1.0 . 5.50 160 143 A 31 ASN H A 33 ALA H 1.0 . 5.50 161 144 A 30 ASP H A 31 ASN H 1.0 . 3.87 162 145 A 31 ASN HD22 A 27 LYS HGx 1.0 . 5.50 163 146 A 31 ASN HD22 A 27 LYS HGy 1.0 . 5.50 164 147 A 31 ASN HD21 A 27 LYS HGx 1.0 . 5.50 165 148 A 31 ASN HD21 A 28 ASN HA 1.0 . 4.64 166 149 A 31 ASN HD22 A 28 ASN HA 1.0 . 5.50 167 150 A 6 TRP HE1 A 29 THR HG1 1.0 . 5.20 168 151 A 29 THR HG2% A 32 TYR H 1.0 . 5.50 169 152 A 33 ALA HB% A 32 TYR H 1.0 . 4.99 170 153 A 32 TYR H A 31 ASN HBx 1.0 . 5.11 171 154 A 32 TYR HBx A 32 TYR H 1.0 . 4.06 172 155 A 30 ASP HA A 32 TYR H 1.0 . 5.50 173 156 A 32 TYR HD% A 32 TYR H 1.0 . 4.23 174 157 A 28 ASN HA A 32 TYR H 1.0 . 5.50 175 158 A 32 TYR H A 31 ASN H 1.0 . 3.98 176 159 A 41 VAL HG2% A 33 ALA H 1.0 . 5.32 177 160 A 4 LEU HD1% A 33 ALA H 1.0 . 5.50 178 161 A 45 VAL HG1% A 33 ALA H 1.0 . 5.50 179 162 A 33 ALA HB% A 33 ALA H 1.0 . 3.37 180 163 A 30 ASP HA A 33 ALA H 1.0 . 4.59 181 164 A 32 TYR HD% A 33 ALA H 1.0 . 4.13 182 165 A 32 TYR H A 33 ALA H 1.0 . 3.82 183 166 A 33 ALA H A 34 ARG H 1.0 . 3.99 184 167 A 4 LEU HD1% A 34 ARG H 1.0 . 4.77 185 168 A 33 ALA HB% A 34 ARG H 1.0 . 3.85 186 169 A 30 ASP HA A 34 ARG H 1.0 . 5.16 187 170 A 31 ASN HA A 34 ARG H 1.0 . 4.74 188 171 A 34 ARG H A 36 ILE H 1.0 . 5.07 189 172 A 33 ALA HB% A 35 GLU H 1.0 . 5.50 190 173 A 35 GLU HBx A 35 GLU H 1.0 . 3.78 191 174 A 35 GLU HGy A 35 GLU H 1.0 . 4.94 192 175 A 32 TYR HA A 35 GLU H 1.0 . 4.59 193 176 A 31 ASN HA A 35 GLU H 1.0 . 5.50 194 177 A 36 ILE H A 36 ILE HG1x 1.0 . 4.36 195 178 A 35 GLU HBx A 36 ILE H 1.0 . 4.55 196 179 A 36 ILE H A 35 GLU HBy 1.0 . 4.55 197 180 A 36 ILE H A 35 GLU H 1.0 . 3.84 198 181 A 36 ILE H A 38 GLU H 1.0 . 5.30 199 182 A 36 ILE HG2% A 37 GLY H 1.0 . 5.50 200 183 A 33 ALA HB% A 37 GLY H 1.0 . 5.50 201 184 A 38 GLU HB2 A 37 GLY H 1.0 . 5.50 202 185 A 36 ILE HB A 37 GLY H 1.0 . 5.15 203 186 A 38 GLU H A 37 GLY H 1.0 . 3.71 204 187 A 38 GLU HB2 A 38 GLU H 1.0 . 3.65 205 188 A 38 GLU H A 38 GLU HB3 1.0 . 4.11 206 189 A 40 VAL HG1% A 40 VAL H 1.0 . 5.23 207 190 A 40 VAL HG2% A 40 VAL H 1.0 . 4.20 208 191 A 45 VAL HG2% A 40 VAL H 1.0 . 5.26 209 192 A 38 GLU HB2 A 40 VAL H 1.0 . 4.97 210 193 A 40 VAL HB A 40 VAL H 1.0 . 3.86 211 194 A 40 VAL H A 39 PRO HD3 1.0 . 4.78 212 195 A 38 GLU HA A 40 VAL H 1.0 . 4.49 213 196 A 41 VAL H A 40 VAL H 1.0 . 5.50 214 197 A 41 VAL HG1% A 41 VAL H 1.0 . 4.83 215 198 A 33 ALA HB% A 41 VAL H 1.0 . 5.50 216 199 A 4 LEU HB3 A 41 VAL H 1.0 . 5.39 217 200 A 6 TRP HA A 41 VAL H 1.0 . 4.08 218 201 A 41 VAL HB A 42 THR H 1.0 . 5.50 219 202 A 40 VAL HG1% A 42 THR H 1.0 . 5.49 220 203 A 45 VAL HG2% A 42 THR H 1.0 . 3.70 221 204 A 41 VAL HA A 42 THR H 1.0 . 3.30 222 205 A 42 THR H A 45 VAL H 1.0 . 4.37 223 206 A 41 VAL H A 42 THR H 1.0 . 5.50 224 207 A 42 THR H A 43 ALA H 1.0 . 5.50 225 208 A 43 ALA HB% A 43 ALA H 1.0 . 3.28 226 209 A 42 THR HG2% A 43 ALA H 1.0 . 4.58 227 210 A 13 MET HE% A 43 ALA H 1.0 . 5.46 228 211 A 7 THR HG1 A 43 ALA H 1.0 . 4.21 229 212 A 10 ALA H A 43 ALA H 1.0 . 5.50 230 213 A 43 ALA H A 44 ASP H 1.0 . 4.07 231 214 A 42 THR HG2% A 44 ASP H 1.0 . 5.45 232 215 A 45 VAL HB A 44 ASP H 1.0 . 5.50 233 216 A 44 ASP HBy A 44 ASP H 1.0 . 4.08 234 217 A 42 THR HG1 A 44 ASP H 1.0 . 5.10 235 218 A 41 VAL HG1% A 45 VAL H 1.0 . 5.50 236 219 A 45 VAL HB A 45 VAL H 1.0 . 3.60 237 220 A 44 ASP HBy A 45 VAL H 1.0 . 4.85 238 221 A 45 VAL H A 44 ASP HBx 1.0 . 4.85 239 222 A 45 VAL H A 46 PHE HB3 1.0 . 5.50 240 223 A 41 VAL HA A 45 VAL H 1.0 . 5.50 241 224 A 42 THR HA A 45 VAL H 1.0 . 5.29 242 225 A 42 THR HB A 45 VAL H 1.0 . 5.50 243 226 A 42 THR HG1 A 45 VAL H 1.0 . 4.94 244 227 A 45 VAL H A 44 ASP H 1.0 . 3.96 245 228 A 45 VAL H A 43 ALA H 1.0 . 5.50 246 229 A 45 VAL HG2% A 46 PHE H 1.0 . 4.91 247 230 A 10 ALA HB% A 46 PHE H 1.0 . 4.73 248 231 A 45 VAL HB A 46 PHE H 1.0 . 3.90 249 232 A 42 THR H A 46 PHE H 1.0 . 5.00 250 233 A 45 VAL H A 46 PHE H 1.0 . 3.84 251 234 A 45 VAL HG2% A 47 ARG H 1.0 . 5.50 252 235 A 49 ALA HB% A 47 ARG H 1.0 . 5.32 253 236 A 47 ARG HBy A 47 ARG H 1.0 . 3.45 254 236 A 47 ARG H A 47 ARG HBx 1.0 . 3.45 255 237 A 46 PHE HB2 A 47 ARG H 1.0 . 4.53 256 238 A 45 VAL H A 47 ARG H 1.0 . 5.28 257 239 A 47 ARG H A 48 LYS H 1.0 . 3.76 258 240 A 48 LYS H A 48 LYS HGx 1.0 . 4.65 259 241 A 47 ARG HBy A 48 LYS H 1.0 . 4.04 260 241 A 48 LYS H A 47 ARG HBx 1.0 . 4.04 261 242 A 45 VAL HA A 48 LYS H 1.0 . 4.68 262 243 A 45 VAL HA A 49 ALA H 1.0 . 5.39 263 244 A 46 PHE HA A 49 ALA H 1.0 . 5.50 264 245 A 32 TYR HE% A 49 ALA H 1.0 . 4.72 265 246 A 32 TYR HD% A 49 ALA H 1.0 . 5.33 266 247 A 48 LYS H A 49 ALA H 1.0 . 3.70 267 248 A 50 LYS HBy A 50 LYS H 1.0 . 3.93 268 249 A 51 GLU HBy A 50 LYS H 1.0 . 5.50 269 249 A 50 LYS H A 51 GLU HBx 1.0 . 5.50 270 250 A 51 GLU H A 50 LYS H 1.0 . 3.46 271 251 A 49 ALA H A 50 LYS H 1.0 . 3.85 272 252 A 48 LYS H A 50 LYS H 1.0 . 5.50 273 253 A 50 LYS H A 53 LEU H 1.0 . 5.50 274 254 A 49 ALA HB% A 51 GLU H 1.0 . 5.50 275 255 A 51 GLU H A 50 LYS HBx 1.0 . 4.41 276 256 A 50 LYS HBy A 51 GLU H 1.0 . 4.41 277 257 A 51 GLU HBy A 51 GLU H 1.0 . 3.47 278 257 A 51 GLU H A 51 GLU HBx 1.0 . 3.47 279 258 A 49 ALA HA A 51 GLU H 1.0 . 5.43 280 259 A 53 LEU HD1% A 53 LEU H 1.0 . 5.00 281 260 A 53 LEU HD2% A 53 LEU H 1.0 . 5.50 282 261 A 50 LYS HA A 53 LEU H 1.0 . 5.03 283 262 A 52 HIS H A 53 LEU H 1.0 . 4.24 284 263 A 53 LEU H A 54 GLY H 1.0 . 4.27 285 264 A 53 LEU HD1% A 54 GLY H 1.0 . 5.50 286 265 A 53 LEU HD2% A 54 GLY H 1.0 . 5.50 287 266 A 54 GLY H A 53 LEU HBx 1.0 . 5.00 288 267 A 53 LEU HBy A 54 GLY H 1.0 . 5.00 289 268 A 50 LYS HA A 54 GLY H 1.0 . 5.25 290 269 A 56 LEU HD1% A 56 LEU H 1.0 . 5.50 291 270 A 56 LEU HD2% A 56 LEU H 1.0 . 5.50 292 271 A 56 LEU HBx A 57 GLU H 1.0 . 5.50 293 272 A 57 GLU H A 56 LEU HBy 1.0 . 5.50 294 273 A 57 GLU H A 57 GLU HGy 1.0 . 5.50 295 274 A 55 GLY HAy A 57 GLU H 1.0 . 5.37 296 274 A 57 GLU H A 55 GLY HAx 1.0 . 5.37 297 275 A 56 LEU H A 57 GLU H 1.0 . 4.60 298 276 A 6 TRP HE1 A 26 ARG HA 1.0 . 5.50 299 277 A 13 MET HE% A 14 LEU H 1.0 . 5.50 300 278 A 14 LEU HD1% A 22 ARG HE 1.0 . 5.50 301 279 A 22 ARG HE A 17 VAL HG1% 1.0 . 5.50 302 280 A 23 LYS HGx A 23 LYS H 1.0 . 5.50 303 281 A 14 LEU HD2% A 26 ARG HE 1.0 . 5.50 304 282 A 25 VAL HA A 27 LYS H 1.0 . 5.50 305 283 A 50 LYS HA A 52 HIS H 1.0 . 5.50 306 284 A 29 THR HG1 A 28 ASN H 1.0 . 5.45 307 285 A 49 ALA HB% A 29 THR H 1.0 . 5.50 308 286 A 33 ALA HB% A 30 ASP H 1.0 . 5.50 309 287 A 45 VAL HG1% A 48 LYS H 1.0 . 5.50 310 288 A 49 ALA HB% A 48 LYS H 1.0 . 5.50 311 289 A 44 ASP HA A 48 LYS H 1.0 . 5.50 312 290 A 48 LYS HA A 50 LYS H 1.0 . 5.25 313 291 A 51 GLU H A 49 ALA H 1.0 . 5.50 314 292 A 52 HIS HD2 A 53 LEU H 1.0 . 5.50 315 293 A 56 LEU HD1% A 57 GLU H 1.0 . 5.50 316 294 A 56 LEU HD2% A 57 GLU H 1.0 . 5.50 317 295 A 3 GLU HA A 4 LEU HG 1.0 . 5.50 318 296 A 31 ASN HA A 34 ARG HGy 1.0 . 5.50 319 296 A 31 ASN HA A 34 ARG HGx 1.0 . 5.50 320 297 A 3 GLU HGy A 4 LEU H 1.0 . 5.50 321 297 A 4 LEU H A 3 GLU HGx 1.0 . 5.50 322 298 A 9 GLU HGy A 9 GLU H 1.0 . 4.42 323 298 A 9 GLU H A 9 GLU HGx 1.0 . 4.42 324 299 A 4 LEU HB2 A 3 GLU HA 1.0 . 5.50 325 300 A 4 LEU HB2 A 30 ASP HA 1.0 . 5.50 326 301 A 4 LEU HB2 A 39 PRO HA 1.0 . 5.50 327 302 A 4 LEU HB2 A 5 SER H 1.0 . 5.02 328 303 A 6 TRP HD1 A 4 LEU HB3 1.0 . 5.50 329 304 A 4 LEU HD2% A 41 VAL HG2% 1.0 . 4.10 330 305 A 4 LEU HD2% A 33 ALA HB% 1.0 . 4.84 331 306 A 4 LEU HD2% A 4 LEU HA 1.0 . 4.02 332 307 A 4 LEU HD1% A 41 VAL HG2% 1.0 . 3.92 333 308 A 4 LEU HD1% A 33 ALA HB% 1.0 . 3.78 334 309 A 4 LEU HD1% A 34 ARG HA 1.0 . 5.50 335 310 A 4 LEU HD1% A 4 LEU HA 1.0 . 5.50 336 311 A 4 LEU HD1% A 39 PRO HA 1.0 . 5.50 337 312 A 4 LEU HD1% A 30 ASP H 1.0 . 5.50 338 313 A 4 LEU HD1% A 41 VAL H 1.0 . 5.50 339 314 A 4 LEU HG A 4 LEU H 1.0 . 4.81 340 315 A 5 SER HBy A 4 LEU HB2 1.0 . 5.50 341 315 A 4 LEU HB2 A 5 SER HBx 1.0 . 5.50 342 316 A 5 SER HBy A 40 VAL HB 1.0 . 5.50 343 316 A 40 VAL HB A 5 SER HBx 1.0 . 5.50 344 317 A 4 LEU HA A 5 SER HBy 1.0 . 5.50 345 317 A 4 LEU HA A 5 SER HBx 1.0 . 5.50 346 318 A 5 SER HBy A 5 SER H 1.0 . 3.72 347 318 A 5 SER H A 5 SER HBx 1.0 . 3.72 348 319 A 41 VAL HB A 6 TRP HA 1.0 . 3.80 349 320 A 10 ALA HB% A 6 TRP HA 1.0 . 5.27 350 321 A 6 TRP HA A 7 THR HG2% 1.0 . 5.50 351 322 A 6 TRP HBy A 41 VAL HB 1.0 . 5.50 352 322 A 41 VAL HB A 6 TRP HBx 1.0 . 5.50 353 323 A 6 TRP HBy A 10 ALA HB% 1.0 . 4.16 354 323 A 10 ALA HB% A 6 TRP HBx 1.0 . 4.16 355 324 A 6 TRP HBx A 11 GLU HGx 1.0 . 4.63 356 324 A 6 TRP HBy A 11 GLU HGx 1.0 . 4.63 357 325 A 6 TRP HBy A 6 TRP HZ3 1.0 . 5.50 358 325 A 6 TRP HZ3 A 6 TRP HBx 1.0 . 5.50 359 326 A 7 THR HG2% A 7 THR HA 1.0 . 3.66 360 327 A 6 TRP HA A 7 THR HA 1.0 . 5.50 361 328 A 7 THR HA A 8 ALA H 1.0 . 3.44 362 329 A 7 THR HG2% A 40 VAL HG1% 1.0 . 3.61 363 330 A 7 THR HG2% A 42 THR HA 1.0 . 3.60 364 331 A 7 THR HG2% A 7 THR HG1 1.0 . 3.81 365 332 A 7 THR HG2% A 7 THR H 1.0 . 3.63 366 333 A 7 THR HG2% A 9 GLU H 1.0 . 5.09 367 334 A 8 ALA HA A 11 GLU HBy 1.0 . 4.61 368 335 A 8 ALA HA A 11 GLU H 1.0 . 4.61 369 336 A 8 ALA HB% A 9 GLU HA 1.0 . 4.82 370 337 A 8 ALA HB% A 7 THR HA 1.0 . 4.87 371 338 A 8 ALA HB% A 7 THR HB 1.0 . 4.95 372 339 A 8 ALA HB% A 9 GLU H 1.0 . 3.79 373 340 A 9 GLU HA A 12 LYS HEy 1.0 . 5.50 374 340 A 9 GLU HA A 12 LYS HEx 1.0 . 5.50 375 341 A 12 LYS HA A 12 LYS HEy 1.0 . 5.50 376 341 A 12 LYS HA A 12 LYS HEx 1.0 . 5.50 377 342 A 7 THR HG1 A 9 GLU HBx 1.0 . 5.50 378 343 A 7 THR HG1 A 9 GLU HBy 1.0 . 5.50 379 344 A 10 ALA H A 9 GLU HBy 1.0 . 4.26 380 345 A 9 GLU H A 9 GLU HBy 1.0 . 3.81 381 346 A 10 ALA HA A 46 PHE HD% 1.0 . 5.50 382 347 A 41 VAL HG1% A 10 ALA HB% 1.0 . 3.67 383 348 A 10 ALA HB% A 46 PHE HB2 1.0 . 4.65 384 349 A 10 ALA HB% A 42 THR HA 1.0 . 4.16 385 350 A 10 ALA HB% A 7 THR HG1 1.0 . 4.76 386 351 A 10 ALA HB% A 46 PHE HD% 1.0 . 5.19 387 352 A 10 ALA HB% A 10 ALA H 1.0 . 3.34 388 353 A 10 ALA HB% A 11 GLU H 1.0 . 3.88 389 354 A 14 LEU HD1% A 11 GLU HA 1.0 . 5.50 390 355 A 6 TRP HZ3 A 11 GLU HA 1.0 . 5.29 391 356 A 11 GLU HA A 6 TRP HE3 1.0 . 4.09 392 357 A 8 ALA HA A 11 GLU HBx 1.0 . 4.61 393 358 A 32 TYR HA A 35 GLU HBy 1.0 . 4.94 394 359 A 6 TRP HBy A 11 GLU HGy 1.0 . 4.63 395 359 A 11 GLU HGy A 6 TRP HBx 1.0 . 4.63 396 360 A 8 ALA HA A 11 GLU HGy 1.0 . 5.19 397 361 A 11 GLU HGy A 11 GLU H 1.0 . 4.43 398 362 A 8 ALA HA A 11 GLU HGx 1.0 . 5.19 399 363 A 6 TRP HE3 A 11 GLU HGx 1.0 . 5.50 400 364 A 34 ARG HA A 38 GLU H 1.0 . 5.50 401 365 A 12 LYS HBy A 13 MET H 1.0 . 3.96 402 365 A 13 MET H A 12 LYS HBx 1.0 . 3.96 403 366 A 12 LYS HBy A 12 LYS H 1.0 . 3.30 404 366 A 12 LYS H A 12 LYS HBx 1.0 . 3.30 405 367 A 12 LYS HBy A 12 LYS HEx 1.0 . 4.86 406 367 A 12 LYS HEy A 12 LYS HBy 1.0 . 4.86 407 367 A 12 LYS HEy A 12 LYS HBx 1.0 . 4.86 408 367 A 12 LYS HBx A 12 LYS HEx 1.0 . 4.86 409 368 A 12 LYS HA A 12 LYS HDy 1.0 . 4.86 410 368 A 12 LYS HA A 12 LYS HDx 1.0 . 4.86 411 369 A 24 LYS HA A 24 LYS HDy 1.0 . 5.42 412 369 A 24 LYS HA A 24 LYS HDx 1.0 . 5.42 413 370 A 21 VAL HG1% A 24 LYS HEx 1.0 . 5.29 414 370 A 21 VAL HG1% A 24 LYS HEy 1.0 . 5.29 415 371 A 36 ILE HD1% A 48 LYS HEx 1.0 . 5.13 416 371 A 36 ILE HD1% A 48 LYS HEy 1.0 . 5.13 417 372 A 12 LYS HGy A 12 LYS H 1.0 . 4.82 418 373 A 13 MET HA A 16 LYS H 1.0 . 5.07 419 374 A 13 MET HA A 15 GLY H 1.0 . 5.50 420 375 A 24 LYS HBy A 25 VAL H 1.0 . 3.75 421 375 A 25 VAL H A 24 LYS HBx 1.0 . 3.75 422 376 A 46 PHE HD% A 13 MET HBx 1.0 . 5.50 423 377 A 13 MET HE% A 43 ALA HA 1.0 . 4.11 424 378 A 13 MET HE% A 47 ARG H 1.0 . 4.93 425 379 A 13 MET HGy A 13 MET H 1.0 . 4.27 426 380 A 13 MET HGy A 14 LEU H 1.0 . 5.50 427 381 A 14 LEU HD2% A 14 LEU HA 1.0 . 5.50 428 382 A 14 LEU HA A 17 VAL HG2% 1.0 . 3.78 429 383 A 17 VAL HB A 14 LEU HA 1.0 . 5.30 430 384 A 46 PHE HE% A 14 LEU HA 1.0 . 4.64 431 385 A 14 LEU HA A 17 VAL H 1.0 . 5.11 432 386 A 14 LEU HD1% A 14 LEU HBx 1.0 . 4.13 433 387 A 6 TRP HE3 A 14 LEU HBx 1.0 . 5.50 434 388 A 14 LEU HD1% A 14 LEU HBy 1.0 . 4.13 435 389 A 6 TRP HE3 A 14 LEU HBy 1.0 . 5.50 436 390 A 14 LEU HD1% A 17 VAL HB 1.0 . 4.86 437 391 A 14 LEU HD1% A 22 ARG HA 1.0 . 4.65 438 392 A 14 LEU HD1% A 14 LEU HA 1.0 . 3.58 439 393 A 14 LEU HD1% A 6 TRP HH2 1.0 . 4.43 440 394 A 46 PHE HE% A 14 LEU HD1% 1.0 . 4.31 441 395 A 14 LEU HD1% A 6 TRP HZ2 1.0 . 5.50 442 396 A 14 LEU HD1% A 17 VAL H 1.0 . 5.50 443 397 A 14 LEU HD1% A 14 LEU H 1.0 . 5.10 444 398 A 14 LEU HD1% A 25 VAL H 1.0 . 5.50 445 399 A 14 LEU HD1% A 26 ARG H 1.0 . 4.54 446 400 A 14 LEU HD2% A 26 ARG HBx 1.0 . 5.17 447 401 A 14 LEU HD2% A 22 ARG HDx 1.0 . 5.33 448 401 A 14 LEU HD2% A 22 ARG HDy 1.0 . 5.33 449 402 A 14 LEU HD2% A 11 GLU HA 1.0 . 5.21 450 403 A 14 LEU HD2% A 26 ARG HH2% 1.0 . 5.50 451 404 A 14 LEU HD2% A 6 TRP HZ3 1.0 . 5.50 452 405 A 14 LEU HD2% A 6 TRP HE3 1.0 . 5.50 453 406 A 14 LEU HD2% A 6 TRP HH2 1.0 . 4.74 454 407 A 14 LEU HD2% A 26 ARG H 1.0 . 5.12 455 408 A 14 LEU HG A 22 ARG HDy 1.0 . 4.99 456 408 A 14 LEU HG A 22 ARG HDx 1.0 . 4.99 457 409 A 16 LYS HDy A 16 LYS HA 1.0 . 4.60 458 409 A 16 LYS HA A 16 LYS HDx 1.0 . 4.60 459 410 A 46 PHE HD% A 13 MET HBy 1.0 . 5.50 460 411 A 16 LYS HGy A 16 LYS H 1.0 . 4.39 461 412 A 23 LYS H A 23 LYS HGy 1.0 . 5.50 462 413 A 21 VAL HG1% A 20 PHE HA 1.0 . 5.50 463 414 A 17 VAL HA A 18 PRO HD3 1.0 . 3.28 464 415 A 17 VAL HB A 22 ARG HGy 1.0 . 4.27 465 415 A 17 VAL HB A 22 ARG HGx 1.0 . 4.27 466 416 A 14 LEU HD2% A 17 VAL HG2% 1.0 . 5.25 467 417 A 17 VAL HG2% A 16 LYS HBx 1.0 . 5.25 468 418 A 17 VAL HG2% A 16 LYS HBy 1.0 . 5.25 469 419 A 17 VAL HG2% A 25 VAL HB 1.0 . 5.50 470 420 A 17 VAL HG2% A 18 PRO HD2 1.0 . 4.69 471 421 A 17 VAL HG2% A 17 VAL HA 1.0 . 3.72 472 422 A 17 VAL HG2% A 16 LYS H 1.0 . 4.99 473 423 A 46 PHE HE% A 17 VAL HG2% 1.0 . 5.50 474 424 A 14 LEU HD2% A 17 VAL HG1% 1.0 . 5.50 475 425 A 17 VAL HG1% A 18 PRO HGx 1.0 . 4.67 476 425 A 18 PRO HGy A 17 VAL HG1% 1.0 . 4.67 477 426 A 17 VAL HG1% A 25 VAL HB 1.0 . 5.37 478 427 A 18 PRO HD2 A 17 VAL HG1% 1.0 . 3.94 479 428 A 17 VAL HG1% A 17 VAL HA 1.0 . 3.98 480 429 A 17 VAL HG1% A 46 PHE HZ 1.0 . 5.35 481 430 A 17 VAL HG1% A 21 VAL H 1.0 . 5.26 482 431 A 17 VAL HG1% A 17 VAL H 1.0 . 4.29 483 432 A 18 PRO HA A 20 PHE H 1.0 . 5.43 484 433 A 18 PRO HA A 19 PHE H 1.0 . 3.53 485 434 A 18 PRO HB2 A 21 VAL H 1.0 . 4.84 486 435 A 20 PHE HD% A 18 PRO HB3 1.0 . 5.50 487 436 A 18 PRO HB3 A 21 VAL H 1.0 . 5.50 488 437 A 21 VAL HG2% A 18 PRO HD3 1.0 . 5.02 489 438 A 17 VAL HG1% A 18 PRO HD3 1.0 . 4.36 490 439 A 17 VAL HG2% A 18 PRO HD3 1.0 . 5.45 491 440 A 17 VAL HB A 18 PRO HD3 1.0 . 5.10 492 441 A 18 PRO HD2 A 21 VAL HG2% 1.0 . 4.31 493 442 A 18 PRO HD2 A 17 VAL HA 1.0 . 3.71 494 443 A 21 VAL HG2% A 18 PRO HGx 1.0 . 4.42 495 443 A 18 PRO HGy A 21 VAL HG2% 1.0 . 4.42 496 444 A 18 PRO HGy A 17 VAL HA 1.0 . 5.27 497 444 A 17 VAL HA A 18 PRO HGx 1.0 . 5.27 498 445 A 19 PHE HA A 22 ARG HDy 1.0 . 5.09 499 445 A 19 PHE HA A 22 ARG HDx 1.0 . 5.09 500 446 A 19 PHE HA A 20 PHE HA 1.0 . 5.50 501 447 A 19 PHE HA A 18 PRO HA 1.0 . 5.50 502 448 A 19 PHE HBy A 19 PHE H 1.0 . 4.04 503 449 A 20 PHE HA A 20 PHE HE% 1.0 . 5.50 504 450 A 21 VAL HG1% A 20 PHE HBy 1.0 . 5.29 505 451 A 21 VAL HG2% A 20 PHE HBy 1.0 . 5.50 506 452 A 21 VAL HG2% A 20 PHE HBx 1.0 . 5.50 507 453 A 31 ASN HBy A 32 TYR H 1.0 . 5.11 508 454 A 21 VAL HG1% A 21 VAL HA 1.0 . 3.72 509 455 A 24 LYS HBy A 21 VAL HA 1.0 . 4.48 510 455 A 21 VAL HA A 24 LYS HBx 1.0 . 4.48 511 456 A 21 VAL HA A 24 LYS H 1.0 . 5.01 512 457 A 25 VAL HG2% A 21 VAL HB 1.0 . 4.52 513 458 A 17 VAL HG1% A 21 VAL HB 1.0 . 5.50 514 459 A 21 VAL HG2% A 17 VAL HG1% 1.0 . 3.46 515 460 A 17 VAL HG2% A 21 VAL HG2% 1.0 . 4.11 516 461 A 21 VAL HG2% A 18 PRO HB2 1.0 . 4.37 517 462 A 21 VAL HG2% A 24 LYS HBx 1.0 . 4.98 518 462 A 21 VAL HG2% A 24 LYS HBy 1.0 . 4.98 519 463 A 17 VAL HB A 21 VAL HG2% 1.0 . 5.50 520 464 A 21 VAL HG2% A 18 PRO HB3 1.0 . 4.91 521 465 A 21 VAL HG2% A 17 VAL HA 1.0 . 5.50 522 466 A 21 VAL HG2% A 20 PHE HA 1.0 . 5.50 523 467 A 21 VAL HG2% A 21 VAL H 1.0 . 3.68 524 468 A 21 VAL HG2% A 25 VAL H 1.0 . 5.19 525 469 A 21 VAL HG2% A 23 LYS H 1.0 . 5.50 526 470 A 21 VAL HG1% A 20 PHE HBx 1.0 . 5.29 527 471 A 18 PRO HD2 A 21 VAL HG1% 1.0 . 5.50 528 472 A 21 VAL HG1% A 22 ARG HA 1.0 . 5.50 529 473 A 21 VAL HG1% A 20 PHE HD% 1.0 . 4.15 530 474 A 21 VAL HG1% A 21 VAL H 1.0 . 5.00 531 475 A 21 VAL HG1% A 22 ARG H 1.0 . 5.50 532 476 A 21 VAL HG2% A 22 ARG HA 1.0 . 5.26 533 477 A 22 ARG HA A 17 VAL HG1% 1.0 . 3.73 534 478 A 17 VAL HG2% A 22 ARG HA 1.0 . 4.72 535 479 A 22 ARG HA A 22 ARG HGy 1.0 . 3.81 536 479 A 22 ARG HA A 22 ARG HGx 1.0 . 3.81 537 480 A 22 ARG HA A 25 VAL HB 1.0 . 4.18 538 481 A 17 VAL HB A 22 ARG HA 1.0 . 4.88 539 482 A 22 ARG HA A 22 ARG HDy 1.0 . 5.50 540 482 A 22 ARG HA A 22 ARG HDx 1.0 . 5.50 541 483 A 19 PHE HA A 22 ARG HBy 1.0 . 4.21 542 484 A 22 ARG H A 22 ARG HBy 1.0 . 3.58 543 485 A 19 PHE HA A 22 ARG HBx 1.0 . 4.21 544 486 A 22 ARG HBx A 21 VAL H 1.0 . 5.50 545 487 A 22 ARG HBx A 22 ARG H 1.0 . 3.58 546 488 A 14 LEU HD1% A 22 ARG HDx 1.0 . 5.19 547 488 A 14 LEU HD1% A 22 ARG HDy 1.0 . 5.19 548 489 A 17 VAL HG1% A 22 ARG HDx 1.0 . 5.50 549 489 A 17 VAL HG1% A 22 ARG HDy 1.0 . 5.50 550 490 A 17 VAL HB A 22 ARG HDy 1.0 . 5.50 551 490 A 17 VAL HB A 22 ARG HDx 1.0 . 5.50 552 491 A 19 PHE HD% A 22 ARG HDx 1.0 . 5.50 553 491 A 19 PHE HD% A 22 ARG HDy 1.0 . 5.50 554 492 A 14 LEU HD2% A 22 ARG HGx 1.0 . 4.81 555 492 A 14 LEU HD2% A 22 ARG HGy 1.0 . 4.81 556 493 A 19 PHE HA A 22 ARG HGy 1.0 . 5.50 557 493 A 19 PHE HA A 22 ARG HGx 1.0 . 5.50 558 494 A 22 ARG HGy A 23 LYS HA 1.0 . 5.50 559 494 A 23 LYS HA A 22 ARG HGx 1.0 . 5.50 560 495 A 22 ARG HGy A 22 ARG H 1.0 . 4.90 561 495 A 22 ARG H A 22 ARG HGx 1.0 . 4.90 562 496 A 23 LYS HA A 23 LYS HEy 1.0 . 5.50 563 496 A 23 LYS HA A 23 LYS HEx 1.0 . 5.50 564 497 A 48 LYS HA A 48 LYS HEy 1.0 . 5.50 565 497 A 48 LYS HA A 48 LYS HEx 1.0 . 5.50 566 498 A 23 LYS HA A 26 ARG H 1.0 . 4.59 567 499 A 23 LYS HBx A 23 LYS HEx 1.0 . 5.49 568 499 A 23 LYS HEy A 23 LYS HBx 1.0 . 5.49 569 499 A 23 LYS HBy A 23 LYS HEx 1.0 . 5.49 570 499 A 23 LYS HBy A 23 LYS HEy 1.0 . 5.49 571 500 A 23 LYS HBy A 23 LYS H 1.0 . 3.74 572 500 A 23 LYS H A 23 LYS HBx 1.0 . 3.74 573 501 A 23 LYS HA A 23 LYS HDy 1.0 . 4.96 574 501 A 23 LYS HA A 23 LYS HDx 1.0 . 4.96 575 502 A 34 ARG HGy A 35 GLU HA 1.0 . 5.50 576 502 A 35 GLU HA A 34 ARG HGx 1.0 . 5.50 577 503 A 21 VAL HG1% A 24 LYS HBx 1.0 . 5.50 578 503 A 21 VAL HG1% A 24 LYS HBy 1.0 . 5.50 579 504 A 16 LYS HBx A 16 LYS HEx 1.0 . 5.50 580 504 A 16 LYS HEy A 16 LYS HBx 1.0 . 5.50 581 505 A 24 LYS HBy A 24 LYS HEy 1.0 . 5.50 582 505 A 24 LYS HEy A 24 LYS HBx 1.0 . 5.50 583 505 A 24 LYS HBx A 24 LYS HEx 1.0 . 5.50 584 505 A 24 LYS HBy A 24 LYS HEx 1.0 . 5.50 585 506 A 24 LYS HGy A 24 LYS H 1.0 . 5.50 586 507 A 24 LYS H A 24 LYS HGx 1.0 . 5.50 587 508 A 25 VAL HG1% A 25 VAL HA 1.0 . 3.78 588 509 A 25 VAL HG2% A 25 VAL HA 1.0 . 3.52 589 510 A 24 LYS HBy A 25 VAL HA 1.0 . 5.50 590 510 A 25 VAL HA A 24 LYS HBx 1.0 . 5.50 591 511 A 25 VAL HA A 28 ASN H 1.0 . 4.66 592 512 A 25 VAL HB A 25 VAL H 1.0 . 3.45 593 513 A 25 VAL HG1% A 25 VAL H 1.0 . 5.24 594 514 A 25 VAL HG2% A 24 LYS HBy 1.0 . 4.51 595 514 A 25 VAL HG2% A 24 LYS HBx 1.0 . 4.51 596 515 A 22 ARG HA A 25 VAL HG2% 1.0 . 4.64 597 516 A 25 VAL HG2% A 25 VAL H 1.0 . 3.44 598 517 A 25 VAL HG2% A 26 ARG H 1.0 . 4.95 599 518 A 14 LEU HD2% A 26 ARG HA 1.0 . 5.08 600 519 A 29 THR HG1 A 26 ARG HA 1.0 . 4.27 601 520 A 26 ARG HA A 29 THR H 1.0 . 4.71 602 521 A 14 LEU HD2% A 26 ARG HBy 1.0 . 5.17 603 522 A 26 ARG HBy A 27 LYS H 1.0 . 4.61 604 523 A 26 ARG HBy A 26 ARG H 1.0 . 3.67 605 524 A 14 LEU HD2% A 26 ARG HDy 1.0 . 5.10 606 525 A 26 ARG HA A 26 ARG HDy 1.0 . 5.50 607 526 A 14 LEU HD2% A 26 ARG HDx 1.0 . 5.10 608 527 A 26 ARG HA A 26 ARG HDx 1.0 . 5.50 609 528 A 6 TRP HZ2 A 26 ARG HGy 1.0 . 4.19 610 529 A 27 LYS HA A 27 LYS HDy 1.0 . 4.87 611 529 A 27 LYS HA A 27 LYS HDx 1.0 . 4.87 612 530 A 27 LYS HA A 30 ASP HBx 1.0 . 4.65 613 531 A 27 LYS HA A 30 ASP HBy 1.0 . 4.65 614 532 A 27 LYS HA A 30 ASP H 1.0 . 5.50 615 533 A 27 LYS HBy A 27 LYS H 1.0 . 3.43 616 533 A 27 LYS H A 27 LYS HBx 1.0 . 3.43 617 534 A 27 LYS HBy A 28 ASN H 1.0 . 3.71 618 534 A 28 ASN H A 27 LYS HBx 1.0 . 3.71 619 535 A 31 ASN HD21 A 27 LYS HGy 1.0 . 5.50 620 536 A 28 ASN HA A 31 ASN H 1.0 . 4.64 621 537 A 53 LEU HD2% A 28 ASN HBy 1.0 . 5.02 622 538 A 53 LEU HD1% A 28 ASN HBy 1.0 . 5.50 623 539 A 25 VAL HA A 28 ASN HBy 1.0 . 4.69 624 540 A 53 LEU HD2% A 28 ASN HBx 1.0 . 5.02 625 541 A 53 LEU HD1% A 28 ASN HBx 1.0 . 5.50 626 542 A 25 VAL HA A 28 ASN HBx 1.0 . 4.69 627 543 A 28 ASN HBx A 28 ASN H 1.0 . 4.15 628 544 A 4 LEU HD1% A 29 THR HB 1.0 . 5.50 629 545 A 33 ALA HB% A 29 THR HB 1.0 . 4.93 630 546 A 49 ALA HB% A 29 THR HB 1.0 . 5.45 631 547 A 6 TRP HH2 A 29 THR HB 1.0 . 5.45 632 548 A 6 TRP HZ2 A 29 THR HB 1.0 . 4.74 633 549 A 29 THR HB A 32 TYR H 1.0 . 4.66 634 550 A 29 THR HB A 30 ASP H 1.0 . 4.98 635 551 A 41 VAL HG1% A 29 THR HG2% 1.0 . 3.45 636 552 A 14 LEU HD2% A 25 VAL HG1% 1.0 . 4.53 637 553 A 14 LEU HD1% A 25 VAL HB 1.0 . 4.20 638 554 A 29 THR HG2% A 29 THR HA 1.0 . 3.53 639 555 A 29 THR HG2% A 32 TYR HD% 1.0 . 4.76 640 556 A 29 THR HG2% A 46 PHE HD% 1.0 . 3.53 641 557 A 46 PHE HE% A 25 VAL HG1% 1.0 . 5.19 642 558 A 29 THR HG2% A 6 TRP HZ2 1.0 . 3.64 643 559 A 29 THR HG2% A 29 THR H 1.0 . 4.40 644 560 A 25 VAL HG1% A 26 ARG H 1.0 . 4.59 645 561 A 41 VAL HG2% A 30 ASP HA 1.0 . 4.35 646 562 A 4 LEU HD1% A 30 ASP HA 1.0 . 3.95 647 563 A 30 ASP HA A 29 THR HG2% 1.0 . 5.42 648 564 A 30 ASP HBy A 31 ASN H 1.0 . 4.53 649 565 A 30 ASP HBy A 30 ASP H 1.0 . 4.12 650 566 A 31 ASN H A 30 ASP HBx 1.0 . 4.53 651 567 A 30 ASP H A 30 ASP HBx 1.0 . 4.12 652 568 A 31 ASN H A 31 ASN HBx 1.0 . 4.08 653 569 A 31 ASN HBy A 31 ASN H 1.0 . 4.08 654 570 A 32 TYR HA A 35 GLU HBx 1.0 . 4.94 655 571 A 32 TYR HD% A 32 TYR HA 1.0 . 3.37 656 572 A 53 LEU HD2% A 32 TYR HBx 1.0 . 5.50 657 573 A 36 ILE HG2% A 33 ALA HA 1.0 . 5.18 658 574 A 33 ALA HA A 36 ILE HG1x 1.0 . 4.38 659 575 A 33 ALA HA A 38 GLU HB3 1.0 . 5.10 660 576 A 33 ALA HA A 38 GLU HGy 1.0 . 5.50 661 577 A 33 ALA HA A 38 GLU HGx 1.0 . 5.50 662 578 A 32 TYR HD% A 33 ALA HA 1.0 . 4.40 663 579 A 33 ALA HA A 36 ILE H 1.0 . 4.82 664 580 A 33 ALA HA A 38 GLU H 1.0 . 4.76 665 581 A 41 VAL HG2% A 33 ALA HB% 1.0 . 3.63 666 582 A 33 ALA HB% A 45 VAL HG1% 1.0 . 3.72 667 583 A 33 ALA HB% A 38 GLU HB3 1.0 . 4.62 668 584 A 30 ASP HA A 33 ALA HB% 1.0 . 4.11 669 585 A 12 LYS HA A 16 LYS H 1.0 . 5.50 670 586 A 48 LYS HA A 51 GLU H 1.0 . 5.50 671 587 A 35 GLU H A 35 GLU HBy 1.0 . 3.78 672 588 A 51 GLU HGy A 52 HIS H 1.0 . 5.50 673 589 A 35 GLU H A 35 GLU HGx 1.0 . 4.94 674 590 A 52 HIS H A 51 GLU HGx 1.0 . 5.50 675 591 A 36 ILE HG2% A 36 ILE HA 1.0 . 3.55 676 592 A 36 ILE HD1% A 36 ILE HA 1.0 . 4.92 677 593 A 36 ILE HB A 36 ILE HD1% 1.0 . 3.52 678 594 A 36 ILE HG2% A 36 ILE HD1% 1.0 . 3.48 679 595 A 38 GLU HB2 A 36 ILE HD1% 1.0 . 5.35 680 596 A 36 ILE HD1% A 48 LYS HDx 1.0 . 5.50 681 597 A 36 ILE HD1% A 48 LYS HDy 1.0 . 5.50 682 598 A 36 ILE HD1% A 33 ALA HA 1.0 . 4.22 683 599 A 38 GLU HA A 36 ILE HD1% 1.0 . 5.50 684 600 A 32 TYR HE% A 36 ILE HD1% 1.0 . 3.38 685 601 A 32 TYR HD% A 36 ILE HD1% 1.0 . 4.30 686 602 A 36 ILE HD1% A 36 ILE H 1.0 . 4.58 687 603 A 36 ILE HD1% A 38 GLU H 1.0 . 4.90 688 604 A 33 ALA HA A 36 ILE HG1y 1.0 . 4.38 689 605 A 36 ILE HG1y A 36 ILE H 1.0 . 4.36 690 606 A 36 ILE HG2% A 35 GLU HA 1.0 . 5.47 691 607 A 36 ILE HG2% A 32 TYR HE% 1.0 . 3.79 692 608 A 32 TYR HD% A 36 ILE HG2% 1.0 . 4.64 693 609 A 36 ILE HG2% A 36 ILE H 1.0 . 3.88 694 610 A 38 GLU HB2 A 33 ALA HA 1.0 . 5.02 695 611 A 38 GLU HB3 A 40 VAL H 1.0 . 5.28 696 612 A 45 VAL HG2% A 38 GLU HGy 1.0 . 4.88 697 613 A 45 VAL HG2% A 38 GLU HGx 1.0 . 4.88 698 614 A 4 LEU HD2% A 39 PRO HA 1.0 . 4.26 699 615 A 33 ALA HB% A 39 PRO HA 1.0 . 5.14 700 616 A 38 GLU HA A 39 PRO HD3 1.0 . 3.58 701 617 A 38 GLU HA A 39 PRO HD2 1.0 . 3.67 702 618 A 39 PRO HD2 A 40 VAL H 1.0 . 4.20 703 619 A 40 VAL H A 39 PRO HGy 1.0 . 5.24 704 620 A 39 PRO HGx A 40 VAL H 1.0 . 5.24 705 621 A 40 VAL HG1% A 40 VAL HA 1.0 . 3.82 706 622 A 6 TRP HA A 40 VAL HA 1.0 . 5.45 707 623 A 40 VAL HA A 41 VAL H 1.0 . 3.36 708 624 A 40 VAL HB A 41 VAL H 1.0 . 5.02 709 625 A 40 VAL HG1% A 42 THR HG2% 1.0 . 3.61 710 626 A 40 VAL HG1% A 5 SER HBx 1.0 . 4.35 711 626 A 5 SER HBy A 40 VAL HG1% 1.0 . 4.35 712 627 A 6 TRP HA A 40 VAL HG1% 1.0 . 4.68 713 628 A 40 VAL HG1% A 7 THR H 1.0 . 4.76 714 629 A 40 VAL HG1% A 41 VAL H 1.0 . 3.94 715 630 A 40 VAL HG2% A 42 THR HG2% 1.0 . 4.55 716 631 A 40 VAL HG2% A 5 SER HBx 1.0 . 4.15 717 631 A 40 VAL HG2% A 5 SER HBy 1.0 . 4.15 718 632 A 40 VAL HG2% A 40 VAL HA 1.0 . 3.66 719 633 A 40 VAL HG2% A 41 VAL H 1.0 . 4.99 720 634 A 41 VAL HG1% A 41 VAL HA 1.0 . 3.69 721 635 A 45 VAL HG1% A 41 VAL HA 1.0 . 4.09 722 636 A 45 VAL HG2% A 41 VAL HA 1.0 . 4.27 723 637 A 33 ALA HB% A 41 VAL HA 1.0 . 5.19 724 638 A 41 VAL HA A 45 VAL HB 1.0 . 4.11 725 639 A 42 THR HA A 41 VAL HA 1.0 . 5.50 726 640 A 41 VAL HB A 40 VAL HA 1.0 . 5.18 727 641 A 6 TRP HD1 A 41 VAL HB 1.0 . 4.38 728 642 A 41 VAL HB A 41 VAL H 1.0 . 3.90 729 643 A 41 VAL HG2% A 29 THR HG2% 1.0 . 3.99 730 644 A 41 VAL HG2% A 4 LEU HB3 1.0 . 4.54 731 645 A 41 VAL HG2% A 4 LEU HB2 1.0 . 4.54 732 646 A 41 VAL HG2% A 41 VAL HA 1.0 . 3.74 733 647 A 41 VAL HG2% A 40 VAL HA 1.0 . 5.33 734 648 A 41 VAL HG2% A 29 THR HA 1.0 . 5.50 735 649 A 41 VAL HG2% A 29 THR HG1 1.0 . 5.50 736 650 A 41 VAL HG2% A 6 TRP HA 1.0 . 4.78 737 651 A 41 VAL HG2% A 42 THR H 1.0 . 5.35 738 652 A 41 VAL HG2% A 6 TRP HE3 1.0 . 5.50 739 653 A 41 VAL HG2% A 6 TRP HH2 1.0 . 5.50 740 654 A 6 TRP HD1 A 41 VAL HG2% 1.0 . 4.17 741 655 A 41 VAL HG2% A 40 VAL H 1.0 . 5.50 742 656 A 41 VAL HG2% A 7 THR H 1.0 . 5.50 743 657 A 41 VAL HG2% A 41 VAL H 1.0 . 3.83 744 658 A 41 VAL HG1% A 45 VAL HB 1.0 . 4.24 745 659 A 41 VAL HG1% A 42 THR HA 1.0 . 5.29 746 660 A 41 VAL HG1% A 6 TRP HA 1.0 . 4.94 747 661 A 41 VAL HG1% A 42 THR H 1.0 . 4.44 748 662 A 41 VAL HG1% A 6 TRP HE3 1.0 . 4.90 749 663 A 41 VAL HG1% A 46 PHE HD% 1.0 . 4.53 750 664 A 41 VAL HG1% A 46 PHE H 1.0 . 4.42 751 665 A 42 THR HB A 43 ALA H 1.0 . 3.26 752 666 A 40 VAL HB A 42 THR HG2% 1.0 . 4.43 753 667 A 41 VAL HA A 42 THR HG2% 1.0 . 5.00 754 668 A 42 THR HG2% A 40 VAL HA 1.0 . 5.38 755 669 A 42 THR HA A 42 THR HG2% 1.0 . 3.78 756 670 A 7 THR HG1 A 42 THR HG2% 1.0 . 5.22 757 671 A 42 THR HG2% A 42 THR H 1.0 . 3.85 758 672 A 42 THR HG2% A 45 VAL H 1.0 . 5.50 759 673 A 46 PHE HB2 A 43 ALA HA 1.0 . 4.66 760 674 A 43 ALA HA A 46 PHE H 1.0 . 5.01 761 675 A 43 ALA HA A 47 ARG H 1.0 . 5.50 762 676 A 9 GLU HGy A 43 ALA HB% 1.0 . 4.65 763 676 A 43 ALA HB% A 9 GLU HGx 1.0 . 4.65 764 677 A 43 ALA HB% A 44 ASP H 1.0 . 3.79 765 678 A 47 ARG HBy A 44 ASP HA 1.0 . 4.10 766 678 A 44 ASP HA A 47 ARG HBx 1.0 . 4.10 767 679 A 44 ASP H A 44 ASP HBx 1.0 . 4.08 768 680 A 45 VAL HG2% A 45 VAL HA 1.0 . 3.59 769 681 A 45 VAL HA A 32 TYR HE% 1.0 . 4.46 770 682 A 45 VAL HA A 42 THR H 1.0 . 5.50 771 683 A 45 VAL HB A 42 THR H 1.0 . 3.43 772 684 A 41 VAL HG2% A 45 VAL HG1% 1.0 . 4.01 773 685 A 45 VAL HG1% A 45 VAL HA 1.0 . 3.72 774 686 A 45 VAL HG1% A 46 PHE HA 1.0 . 5.31 775 687 A 45 VAL HG1% A 42 THR H 1.0 . 4.50 776 688 A 45 VAL HG1% A 45 VAL H 1.0 . 4.67 777 689 A 45 VAL HG1% A 46 PHE H 1.0 . 4.69 778 690 A 45 VAL HG1% A 49 ALA H 1.0 . 5.41 779 691 A 41 VAL HG1% A 45 VAL HG2% 1.0 . 5.09 780 692 A 42 THR HA A 45 VAL HG2% 1.0 . 5.34 781 693 A 45 VAL HG2% A 42 THR HB 1.0 . 5.16 782 694 A 45 VAL HG2% A 42 THR HG1 1.0 . 5.13 783 695 A 45 VAL HG2% A 45 VAL H 1.0 . 3.55 784 696 A 45 VAL HG2% A 44 ASP H 1.0 . 5.08 785 697 A 41 VAL HG1% A 46 PHE HA 1.0 . 4.63 786 698 A 29 THR HG2% A 46 PHE HA 1.0 . 3.90 787 699 A 41 VAL HG1% A 46 PHE HB3 1.0 . 5.01 788 700 A 10 ALA HB% A 46 PHE HB3 1.0 . 5.42 789 701 A 43 ALA HB% A 46 PHE HB3 1.0 . 5.50 790 702 A 43 ALA HA A 46 PHE HB3 1.0 . 4.10 791 703 A 46 PHE HB3 A 46 PHE H 1.0 . 3.62 792 704 A 46 PHE HB3 A 47 ARG H 1.0 . 3.83 793 705 A 41 VAL HG1% A 46 PHE HB2 1.0 . 4.19 794 706 A 29 THR HG2% A 46 PHE HB2 1.0 . 5.40 795 707 A 46 PHE HB2 A 46 PHE H 1.0 . 3.58 796 708 A 49 ALA HB% A 47 ARG HA 1.0 . 5.50 797 709 A 46 PHE HD% A 47 ARG HA 1.0 . 5.03 798 710 A 47 ARG HA A 50 LYS H 1.0 . 5.21 799 711 A 47 ARG HBx A 47 ARG HDx 1.0 . 3.86 800 711 A 47 ARG HDy A 47 ARG HBx 1.0 . 3.86 801 711 A 47 ARG HBy A 47 ARG HDx 1.0 . 3.86 802 711 A 47 ARG HBy A 47 ARG HDy 1.0 . 3.86 803 712 A 32 TYR HE% A 48 LYS HBy 1.0 . 3.82 804 713 A 48 LYS HBy A 49 ALA H 1.0 . 4.58 805 714 A 32 TYR HE% A 48 LYS HBx 1.0 . 3.82 806 715 A 49 ALA H A 48 LYS HBx 1.0 . 4.58 807 716 A 34 ARG HGy A 34 ARG H 1.0 . 4.39 808 716 A 34 ARG H A 34 ARG HGx 1.0 . 4.39 809 717 A 16 LYS HBy A 16 LYS HEx 1.0 . 5.50 810 717 A 16 LYS HEy A 16 LYS HBy 1.0 . 5.50 811 718 A 48 LYS HGy A 48 LYS H 1.0 . 4.65 812 719 A 32 TYR HE% A 49 ALA HA 1.0 . 3.94 813 720 A 32 TYR HD% A 49 ALA HA 1.0 . 3.85 814 721 A 49 ALA HA A 52 HIS H 1.0 . 5.22 815 722 A 49 ALA HA A 53 LEU H 1.0 . 5.41 816 723 A 49 ALA HB% A 32 TYR HBx 1.0 . 5.13 817 724 A 49 ALA HB% A 46 PHE HA 1.0 . 3.60 818 725 A 32 TYR HD% A 49 ALA HB% 1.0 . 3.35 819 726 A 49 ALA HB% A 46 PHE HD% 1.0 . 5.50 820 727 A 46 PHE HE% A 49 ALA HB% 1.0 . 5.50 821 728 A 49 ALA HB% A 50 LYS H 1.0 . 3.83 822 729 A 49 ALA HB% A 49 ALA H 1.0 . 3.42 823 730 A 53 LEU HD1% A 50 LYS HA 1.0 . 4.98 824 731 A 49 ALA HA A 50 LYS HA 1.0 . 5.50 825 732 A 50 LYS HA A 50 LYS HEy 1.0 . 5.50 826 732 A 50 LYS HA A 50 LYS HEx 1.0 . 5.50 827 733 A 50 LYS H A 50 LYS HBx 1.0 . 3.93 828 734 A 50 LYS HA A 50 LYS HDy 1.0 . 5.25 829 734 A 50 LYS HA A 50 LYS HDx 1.0 . 5.25 830 735 A 46 PHE HD% A 50 LYS HDx 1.0 . 5.50 831 735 A 46 PHE HD% A 50 LYS HDy 1.0 . 5.50 832 736 A 46 PHE HE% A 50 LYS HDx 1.0 . 4.81 833 736 A 46 PHE HE% A 50 LYS HDy 1.0 . 4.81 834 737 A 46 PHE HD% A 50 LYS HEx 1.0 . 5.50 835 737 A 46 PHE HD% A 50 LYS HEy 1.0 . 5.50 836 738 A 46 PHE HE% A 50 LYS HEx 1.0 . 5.50 837 738 A 46 PHE HE% A 50 LYS HEy 1.0 . 5.50 838 739 A 50 LYS HGy A 50 LYS H 1.0 . 5.50 839 740 A 50 LYS H A 50 LYS HGx 1.0 . 5.50 840 741 A 51 GLU HBy A 48 LYS HA 1.0 . 4.66 841 741 A 48 LYS HA A 51 GLU HBx 1.0 . 4.66 842 742 A 9 GLU HGy A 9 GLU HA 1.0 . 4.13 843 742 A 9 GLU HA A 9 GLU HGx 1.0 . 4.13 844 743 A 51 GLU HGy A 51 GLU H 1.0 . 4.68 845 744 A 51 GLU H A 51 GLU HGx 1.0 . 4.68 846 745 A 32 TYR HE% A 52 HIS HBx 1.0 . 5.44 847 746 A 50 LYS HA A 53 LEU HBy 1.0 . 5.50 848 747 A 50 LYS HA A 53 LEU HBx 1.0 . 5.50 849 748 A 4 LEU HD2% A 34 ARG HDx 1.0 . 5.50 850 749 A 53 LEU HD2% A 53 LEU HA 1.0 . 3.59 851 750 A 4 LEU HD2% A 34 ARG H 1.0 . 5.50 852 751 A 49 ALA HB% A 53 LEU HD1% 1.0 . 4.92 853 752 A 49 ALA HA A 53 LEU HD1% 1.0 . 5.50 854 753 A 53 LEU HD1% A 32 TYR HBx 1.0 . 5.50 855 754 A 53 LEU HD1% A 53 LEU HA 1.0 . 5.50 856 755 A 52 HIS HD2 A 53 LEU HG 1.0 . 4.33 857 756 A 53 LEU HG A 53 LEU H 1.0 . 4.37 858 757 A 56 LEU HD1% A 56 LEU HA 1.0 . 4.47 859 758 A 56 LEU HD2% A 56 LEU HA 1.0 . 3.83 860 759 A 57 GLU HGx A 57 GLU H 1.0 . 5.50 861 760 A 36 ILE HG2% A 35 GLU H 1.0 . 5.50 862 761 A 4 LEU HD2% A 34 ARG HDy 1.0 . 5.50 863 762 A 31 ASN HA A 34 ARG HDy 1.0 . 5.28 864 763 A 31 ASN HA A 34 ARG HDx 1.0 . 5.28 865 764 A 43 ALA HB% A 47 ARG HDx 1.0 . 5.50 866 764 A 43 ALA HB% A 47 ARG HDy 1.0 . 5.50 867 765 A 44 ASP HA A 47 ARG HDy 1.0 . 4.72 868 765 A 44 ASP HA A 47 ARG HDx 1.0 . 4.72 869 766 A 4 LEU HD1% A 34 ARG HGx 1.0 . 4.89 870 766 A 4 LEU HD1% A 34 ARG HGy 1.0 . 4.89 871 767 A 4 LEU HD2% A 34 ARG HGx 1.0 . 5.50 872 767 A 4 LEU HD2% A 34 ARG HGy 1.0 . 5.50 873 768 A 41 VAL HG1% A 6 TRP HBx 1.0 . 5.50 874 768 A 6 TRP HBy A 41 VAL HG1% 1.0 . 5.50 875 769 A 7 THR HG2% A 10 ALA H 1.0 . 5.50 876 770 A 9 GLU HA A 8 ALA H 1.0 . 5.50 877 771 A 9 GLU HA A 43 ALA H 1.0 . 5.50 878 772 A 10 ALA HA A 46 PHE HB3 1.0 . 5.32 879 773 A 6 TRP HE3 A 11 GLU HGy 1.0 . 5.50 880 774 A 43 ALA HB% A 13 MET HE% 1.0 . 3.53 881 775 A 43 ALA HB% A 13 MET HGy 1.0 . 5.50 882 776 A 43 ALA HB% A 13 MET HGx 1.0 . 5.50 883 777 A 14 LEU HBx A 15 GLY H 1.0 . 4.66 884 778 A 14 LEU HG A 22 ARG HE 1.0 . 5.50 885 779 A 17 VAL HG1% A 22 ARG HBy 1.0 . 5.50 886 780 A 17 VAL HG1% A 22 ARG HBx 1.0 . 5.50 887 781 A 17 VAL HG1% A 22 ARG HGx 1.0 . 4.62 888 781 A 17 VAL HG1% A 22 ARG HGy 1.0 . 4.62 889 782 A 14 LEU HD1% A 22 ARG HGx 1.0 . 5.36 890 782 A 14 LEU HD1% A 22 ARG HGy 1.0 . 5.36 891 783 A 25 VAL HG2% A 24 LYS HA 1.0 . 5.50 892 784 A 5 SER HBy A 40 VAL HA 1.0 . 5.38 893 784 A 40 VAL HA A 5 SER HBx 1.0 . 5.38 894 785 A 22 ARG HDy A 15 GLY HAx 1.0 . 5.04 895 785 A 15 GLY HAy A 22 ARG HDx 1.0 . 5.04 896 785 A 15 GLY HAy A 22 ARG HDy 1.0 . 5.04 897 785 A 15 GLY HAx A 22 ARG HDx 1.0 . 5.04 898 786 A 18 PRO HB2 A 20 PHE HE% 1.0 . 5.50 899 787 A 18 PRO HB2 A 22 ARG H 1.0 . 5.50 900 788 A 25 VAL HG1% A 46 PHE HZ 1.0 . 4.32 901 789 A 49 ALA HB% A 32 TYR HBy 1.0 . 5.13 902 790 A 53 LEU HD2% A 32 TYR HBy 1.0 . 5.50 903 791 A 53 LEU HD1% A 32 TYR HBy 1.0 . 5.50 904 792 A 32 TYR H A 32 TYR HBy 1.0 . 4.06 905 793 A 33 ALA HB% A 32 TYR HD% 1.0 . 5.50 906 794 A 33 ALA HB% A 36 ILE H 1.0 . 5.50 907 795 A 9 GLU HBx A 10 ALA H 1.0 . 4.26 908 796 A 41 VAL HG1% A 45 VAL HG1% 1.0 . 3.94 909 797 A 42 THR HB A 44 ASP H 1.0 . 3.55 910 798 A 42 THR HG2% A 45 VAL HB 1.0 . 5.50 911 799 A 13 MET HE% A 46 PHE HB3 1.0 . 4.51 912 800 A 56 LEU HG A 56 LEU H 1.0 . 5.26 913 801 A 29 THR HG2% A 46 PHE H 1.0 . 5.50 914 802 A 45 VAL HG1% A 38 GLU HB2 1.0 . 5.50 915 803 A 44 ASP HA A 47 ARG H 1.0 . 4.65 916 804 A 41 VAL HG2% A 45 VAL HG2% 1.0 . 5.01 917 805 A 32 TYR HE% A 52 HIS HBy 1.0 . 5.44 918 806 A 6 TRP HD1 A 4 LEU HB2 1.0 . 4.79 919 807 A 5 SER HA A 6 TRP HD1 1.0 . 3.97 920 808 A 6 TRP HD1 A 6 TRP HA 1.0 . 4.31 921 809 A 10 ALA HB% A 6 TRP HE3 1.0 . 3.61 922 810 A 6 TRP HBy A 6 TRP HE3 1.0 . 3.52 923 810 A 6 TRP HE3 A 6 TRP HBx 1.0 . 3.52 924 811 A 6 TRP HA A 6 TRP HE3 1.0 . 4.88 925 812 A 6 TRP HE3 A 11 GLU H 1.0 . 4.38 926 813 A 29 THR HG2% A 6 TRP HH2 1.0 . 4.13 927 814 A 26 ARG HA A 6 TRP HH2 1.0 . 4.33 928 815 A 29 THR HG1 A 6 TRP HH2 1.0 . 4.46 929 816 A 46 PHE HE% A 6 TRP HH2 1.0 . 4.35 930 817 A 46 PHE HD% A 6 TRP HH2 1.0 . 5.26 931 818 A 41 VAL HG2% A 6 TRP HZ2 1.0 . 4.28 932 819 A 14 LEU HD2% A 6 TRP HZ2 1.0 . 5.39 933 820 A 26 ARG HA A 6 TRP HZ2 1.0 . 3.36 934 821 A 29 THR HG1 A 6 TRP HZ2 1.0 . 3.14 935 822 A 6 TRP HZ2 A 29 THR H 1.0 . 4.90 936 823 A 6 TRP HZ2 A 30 ASP H 1.0 . 4.20 937 824 A 6 TRP HZ3 A 14 LEU HD1% 1.0 . 4.74 938 825 A 10 ALA HB% A 6 TRP HZ3 1.0 . 4.97 939 826 A 6 TRP HZ3 A 46 PHE HE% 1.0 . 5.29 940 827 A 32 TYR HD% A 45 VAL HG1% 1.0 . 3.54 941 828 A 32 TYR HD% A 29 THR HB 1.0 . 5.01 942 829 A 45 VAL HG1% A 32 TYR HE% 1.0 . 3.85 943 830 A 49 ALA HB% A 32 TYR HE% 1.0 . 4.61 944 831 A 32 TYR HE% A 33 ALA HA 1.0 . 5.50 945 832 A 19 PHE HD% A 19 PHE HA 1.0 . 4.42 946 833 A 19 PHE HD% A 18 PRO HA 1.0 . 5.30 947 834 A 19 PHE HD% A 20 PHE HA 1.0 . 5.50 948 835 A 20 PHE HA A 20 PHE HD% 1.0 . 4.27 949 836 A 20 PHE HD% A 20 PHE H 1.0 . 4.87 950 837 A 13 MET HE% A 46 PHE HD% 1.0 . 3.94 951 838 A 46 PHE HA A 46 PHE HD% 1.0 . 4.00 952 839 A 6 TRP HZ3 A 46 PHE HD% 1.0 . 3.89 953 840 A 46 PHE HD% A 47 ARG H 1.0 . 4.87 954 841 A 46 PHE HD% A 46 PHE H 1.0 . 5.13 955 842 A 14 LEU HD1% A 46 PHE HZ 1.0 . 4.01 956 843 A 17 VAL HG2% A 46 PHE HZ 1.0 . 3.85 957 844 A 14 LEU HA A 46 PHE HZ 1.0 . 4.12 958 845 A 53 LEU HD2% A 52 HIS HD2 1.0 . 3.85 959 846 A 41 VAL HG1% A 6 TRP HZ2 1.0 . 4.53 960 847 A 41 VAL HG1% A 6 TRP HH2 1.0 . 5.07 961 848 A 6 TRP HZ2 A 26 ARG HGx 1.0 . 4.19 962 849 A 18 PRO HB2 A 20 PHE HD% 1.0 . 5.07 963 850 A 46 PHE HE% A 46 PHE HA 1.0 . 4.76 964 851 A 4 LEU HD1% A 30 ASP HBx 1.0 . 4.93 965 851 A 4 LEU HD1% A 30 ASP HBy 1.0 . 4.93 966 852 A 4 LEU HD1% A 34 ARG HBx 1.0 . 4.57 967 852 A 4 LEU HD1% A 34 ARG HBy 1.0 . 4.57 968 853 A 4 LEU HD1% A 34 ARG HDx 1.0 . 5.34 969 853 A 4 LEU HD1% A 34 ARG HDy 1.0 . 5.34 970 854 A 4 LEU HD2% A 34 ARG HBx 1.0 . 5.34 971 854 A 4 LEU HD2% A 34 ARG HBy 1.0 . 5.34 972 855 A 4 LEU HD2% A 39 PRO HBy 1.0 . 4.76 973 855 A 4 LEU HD2% A 39 PRO HBx 1.0 . 4.76 974 856 A 4 LEU HD2% A 39 PRO HGy 1.0 . 5.35 975 856 A 4 LEU HD2% A 39 PRO HGx 1.0 . 5.35 976 857 A 11 GLU HBx A 6 TRP HBx 1.0 . 5.34 977 857 A 6 TRP HBy A 11 GLU HBy 1.0 . 5.34 978 857 A 6 TRP HBx A 11 GLU HBy 1.0 . 5.34 979 857 A 6 TRP HBy A 11 GLU HBx 1.0 . 5.34 980 858 A 6 TRP HBx A 11 GLU HGx 1.0 . 4.03 981 858 A 6 TRP HBy A 11 GLU HGx 1.0 . 4.03 982 858 A 6 TRP HBy A 11 GLU HGy 1.0 . 4.03 983 858 A 11 GLU HGy A 6 TRP HBx 1.0 . 4.03 984 859 A 6 TRP HZ3 A 14 LEU HBx 1.0 . 3.90 985 859 A 6 TRP HZ3 A 14 LEU HBy 1.0 . 3.90 986 860 A 6 TRP HZ2 A 26 ARG HBy 1.0 . 4.64 987 860 A 6 TRP HZ2 A 26 ARG HBx 1.0 . 4.64 988 861 A 6 TRP HZ2 A 26 ARG HGy 1.0 . 3.58 989 861 A 6 TRP HZ2 A 26 ARG HGx 1.0 . 3.58 990 862 A 6 TRP HH2 A 14 LEU HBx 1.0 . 4.65 991 862 A 6 TRP HH2 A 14 LEU HBy 1.0 . 4.65 992 863 A 6 TRP HH2 A 26 ARG HGy 1.0 . 5.34 993 863 A 6 TRP HH2 A 26 ARG HGx 1.0 . 5.34 994 864 A 7 THR HG1 A 9 GLU HBx 1.0 . 4.75 995 864 A 7 THR HG1 A 9 GLU HBy 1.0 . 4.75 996 865 A 9 GLU HBx A 9 GLU H 1.0 . 3.31 997 865 A 9 GLU H A 9 GLU HBy 1.0 . 3.31 998 866 A 42 THR HA A 9 GLU HBx 1.0 . 5.00 999 866 A 42 THR HA A 9 GLU HBy 1.0 . 5.00 1000 867 A 9 GLU HBx A 43 ALA H 1.0 . 5.31 1001 867 A 43 ALA H A 9 GLU HBy 1.0 . 5.31 1002 868 A 43 ALA HB% A 9 GLU HBy 1.0 . 4.38 1003 868 A 43 ALA HB% A 9 GLU HBx 1.0 . 4.38 1004 869 A 10 ALA HA A 13 MET HBy 1.0 . 4.02 1005 869 A 10 ALA HA A 13 MET HBx 1.0 . 4.02 1006 870 A 10 ALA HA A 13 MET HGy 1.0 . 4.92 1007 870 A 10 ALA HA A 13 MET HGx 1.0 . 4.92 1008 871 A 11 GLU HBx A 11 GLU H 1.0 . 3.56 1009 871 A 11 GLU H A 11 GLU HBy 1.0 . 3.56 1010 872 A 11 GLU HA A 14 LEU HBx 1.0 . 5.28 1011 872 A 11 GLU HA A 14 LEU HBy 1.0 . 5.28 1012 873 A 11 GLU HBx A 12 LYS H 1.0 . 3.98 1013 873 A 12 LYS H A 11 GLU HBy 1.0 . 3.98 1014 874 A 11 GLU HGy A 12 LYS H 1.0 . 5.34 1015 874 A 12 LYS H A 11 GLU HGx 1.0 . 5.34 1016 875 A 12 LYS HGy A 12 LYS H 1.0 . 4.00 1017 875 A 12 LYS H A 12 LYS HGx 1.0 . 4.00 1018 876 A 13 MET HGy A 12 LYS H 1.0 . 5.34 1019 876 A 12 LYS H A 13 MET HGx 1.0 . 5.34 1020 877 A 12 LYS HA A 12 LYS HGy 1.0 . 3.74 1021 877 A 12 LYS HA A 12 LYS HGx 1.0 . 3.74 1022 878 A 13 MET HGy A 12 LYS HBx 1.0 . 5.34 1023 878 A 12 LYS HBx A 13 MET HGx 1.0 . 5.34 1024 878 A 12 LYS HBy A 13 MET HGx 1.0 . 5.34 1025 878 A 12 LYS HBy A 13 MET HGy 1.0 . 5.34 1026 879 A 12 LYS HGy A 13 MET H 1.0 . 5.07 1027 879 A 13 MET H A 12 LYS HGx 1.0 . 5.07 1028 880 A 13 MET HBy A 13 MET H 1.0 . 3.33 1029 880 A 13 MET H A 13 MET HBx 1.0 . 3.33 1030 881 A 13 MET HGy A 13 MET H 1.0 . 3.50 1031 881 A 13 MET H A 13 MET HGx 1.0 . 3.50 1032 882 A 13 MET HA A 13 MET HGy 1.0 . 3.71 1033 882 A 13 MET HA A 13 MET HGx 1.0 . 3.71 1034 883 A 13 MET HA A 16 LYS HGy 1.0 . 5.34 1035 883 A 13 MET HA A 16 LYS HGx 1.0 . 5.34 1036 884 A 13 MET HBy A 14 LEU H 1.0 . 4.00 1037 884 A 14 LEU H A 13 MET HBx 1.0 . 4.00 1038 885 A 46 PHE HD% A 13 MET HBy 1.0 . 4.68 1039 885 A 46 PHE HD% A 13 MET HBx 1.0 . 4.68 1040 886 A 46 PHE HE% A 13 MET HBx 1.0 . 5.34 1041 886 A 46 PHE HE% A 13 MET HBy 1.0 . 5.34 1042 887 A 46 PHE HD% A 13 MET HGy 1.0 . 5.34 1043 887 A 46 PHE HD% A 13 MET HGx 1.0 . 5.34 1044 888 A 46 PHE HE% A 13 MET HGx 1.0 . 5.34 1045 888 A 46 PHE HE% A 13 MET HGy 1.0 . 5.34 1046 889 A 14 LEU HBx A 14 LEU H 1.0 . 3.46 1047 889 A 14 LEU H A 14 LEU HBy 1.0 . 3.46 1048 890 A 14 LEU HBx A 15 GLY H 1.0 . 3.88 1049 890 A 15 GLY H A 14 LEU HBy 1.0 . 3.88 1050 891 A 46 PHE HE% A 14 LEU HBy 1.0 . 4.54 1051 891 A 46 PHE HE% A 14 LEU HBx 1.0 . 4.54 1052 892 A 14 LEU HD2% A 26 ARG HBx 1.0 . 4.51 1053 892 A 14 LEU HD2% A 26 ARG HBy 1.0 . 4.51 1054 893 A 14 LEU HD2% A 26 ARG HGx 1.0 . 4.89 1055 893 A 14 LEU HD2% A 26 ARG HGy 1.0 . 4.89 1056 894 A 14 LEU HD2% A 26 ARG HDx 1.0 . 4.42 1057 894 A 14 LEU HD2% A 26 ARG HDy 1.0 . 4.42 1058 895 A 15 GLY HAy A 16 LYS HGx 1.0 . 5.34 1059 895 A 15 GLY HAy A 16 LYS HGy 1.0 . 5.34 1060 895 A 16 LYS HGy A 15 GLY HAx 1.0 . 5.34 1061 895 A 15 GLY HAx A 16 LYS HGx 1.0 . 5.34 1062 896 A 16 LYS HBy A 16 LYS H 1.0 . 3.44 1063 896 A 16 LYS H A 16 LYS HBx 1.0 . 3.44 1064 897 A 16 LYS HGy A 16 LYS H 1.0 . 3.82 1065 897 A 16 LYS H A 16 LYS HGx 1.0 . 3.82 1066 898 A 16 LYS HA A 16 LYS HGy 1.0 . 3.74 1067 898 A 16 LYS HA A 16 LYS HGx 1.0 . 3.74 1068 899 A 16 LYS HBx A 16 LYS HEx 1.0 . 4.74 1069 899 A 16 LYS HEy A 16 LYS HBx 1.0 . 4.74 1070 899 A 16 LYS HBy A 16 LYS HEx 1.0 . 4.74 1071 899 A 16 LYS HEy A 16 LYS HBy 1.0 . 4.74 1072 900 A 16 LYS HBy A 17 VAL H 1.0 . 4.35 1073 900 A 17 VAL H A 16 LYS HBx 1.0 . 4.35 1074 901 A 17 VAL HB A 16 LYS HBy 1.0 . 4.78 1075 901 A 17 VAL HB A 16 LYS HBx 1.0 . 4.78 1076 902 A 17 VAL HG2% A 16 LYS HBx 1.0 . 4.56 1077 902 A 17 VAL HG2% A 16 LYS HBy 1.0 . 4.56 1078 903 A 16 LYS HGy A 17 VAL H 1.0 . 4.68 1079 903 A 17 VAL H A 16 LYS HGx 1.0 . 4.68 1080 904 A 17 VAL HB A 22 ARG HBx 1.0 . 4.57 1081 904 A 17 VAL HB A 22 ARG HBy 1.0 . 4.57 1082 905 A 17 VAL HG1% A 22 ARG HBy 1.0 . 4.66 1083 905 A 17 VAL HG1% A 22 ARG HBx 1.0 . 4.66 1084 906 A 19 PHE HBy A 20 PHE H 1.0 . 4.30 1085 906 A 20 PHE H A 19 PHE HBx 1.0 . 4.30 1086 907 A 19 PHE HD% A 22 ARG HBy 1.0 . 5.34 1087 907 A 19 PHE HD% A 22 ARG HBx 1.0 . 5.34 1088 908 A 20 PHE HBy A 20 PHE H 1.0 . 3.64 1089 908 A 20 PHE H A 20 PHE HBx 1.0 . 3.64 1090 909 A 21 VAL HG1% A 20 PHE HBx 1.0 . 4.61 1091 909 A 21 VAL HG1% A 20 PHE HBy 1.0 . 4.61 1092 910 A 20 PHE HBy A 22 ARG H 1.0 . 5.34 1093 910 A 22 ARG H A 20 PHE HBx 1.0 . 5.34 1094 911 A 21 VAL HG2% A 22 ARG HBy 1.0 . 5.34 1095 911 A 21 VAL HG2% A 22 ARG HBx 1.0 . 5.34 1096 912 A 22 ARG HE A 22 ARG HBx 1.0 . 4.37 1097 912 A 22 ARG HE A 22 ARG HBy 1.0 . 4.37 1098 913 A 22 ARG HBx A 23 LYS H 1.0 . 4.29 1099 913 A 23 LYS H A 22 ARG HBy 1.0 . 4.29 1100 914 A 23 LYS HGx A 23 LYS H 1.0 . 4.70 1101 914 A 23 LYS H A 23 LYS HGy 1.0 . 4.70 1102 915 A 23 LYS HA A 26 ARG HDy 1.0 . 5.34 1103 915 A 23 LYS HA A 26 ARG HDx 1.0 . 5.34 1104 916 A 23 LYS HGx A 24 LYS H 1.0 . 5.34 1105 916 A 24 LYS H A 23 LYS HGy 1.0 . 5.34 1106 917 A 24 LYS HBx A 28 ASN HD2x 1.0 . 5.34 1107 917 A 24 LYS HBy A 28 ASN HD2y 1.0 . 5.34 1108 917 A 28 ASN HD2y A 24 LYS HBx 1.0 . 5.34 1109 917 A 24 LYS HBy A 28 ASN HD2x 1.0 . 5.34 1110 918 A 28 ASN HD2y A 24 LYS HGx 1.0 . 4.76 1111 918 A 24 LYS HGy A 28 ASN HD2x 1.0 . 4.76 1112 918 A 24 LYS HGx A 28 ASN HD2x 1.0 . 4.76 1113 918 A 28 ASN HD2y A 24 LYS HGy 1.0 . 4.76 1114 919 A 25 VAL HA A 28 ASN HBx 1.0 . 3.94 1115 919 A 25 VAL HA A 28 ASN HBy 1.0 . 3.94 1116 920 A 25 VAL HA A 28 ASN HD2y 1.0 . 4.95 1117 920 A 25 VAL HA A 28 ASN HD2x 1.0 . 4.95 1118 921 A 25 VAL HG1% A 28 ASN HBy 1.0 . 5.34 1119 921 A 25 VAL HG1% A 28 ASN HBx 1.0 . 5.34 1120 922 A 25 VAL HG1% A 28 ASN HD2x 1.0 . 5.34 1121 922 A 25 VAL HG1% A 28 ASN HD2y 1.0 . 5.34 1122 923 A 25 VAL HG2% A 28 ASN HD2x 1.0 . 5.34 1123 923 A 25 VAL HG2% A 28 ASN HD2y 1.0 . 5.34 1124 924 A 26 ARG HGy A 26 ARG H 1.0 . 5.03 1125 924 A 26 ARG H A 26 ARG HGx 1.0 . 5.03 1126 925 A 26 ARG HDy A 26 ARG H 1.0 . 5.34 1127 925 A 26 ARG H A 26 ARG HDx 1.0 . 5.34 1128 926 A 28 ASN HBx A 26 ARG H 1.0 . 5.34 1129 926 A 26 ARG H A 28 ASN HBy 1.0 . 5.34 1130 927 A 26 ARG HA A 26 ARG HDy 1.0 . 4.83 1131 927 A 26 ARG HA A 26 ARG HDx 1.0 . 4.83 1132 928 A 26 ARG HE A 26 ARG HBy 1.0 . 5.34 1133 928 A 26 ARG HE A 26 ARG HBx 1.0 . 5.34 1134 929 A 26 ARG HBy A 27 LYS H 1.0 . 3.88 1135 929 A 27 LYS H A 26 ARG HBx 1.0 . 3.88 1136 930 A 26 ARG HGy A 27 LYS H 1.0 . 4.58 1137 930 A 27 LYS H A 26 ARG HGx 1.0 . 4.58 1138 931 A 26 ARG HGy A 30 ASP H 1.0 . 5.34 1139 931 A 30 ASP H A 26 ARG HGx 1.0 . 5.34 1140 932 A 27 LYS HA A 30 ASP HBy 1.0 . 3.79 1141 932 A 27 LYS HA A 30 ASP HBx 1.0 . 3.79 1142 933 A 27 LYS HBy A 27 LYS HEy 1.0 . 4.19 1143 933 A 27 LYS HEx A 27 LYS HBx 1.0 . 4.19 1144 933 A 27 LYS HBx A 27 LYS HEy 1.0 . 4.19 1145 933 A 27 LYS HBy A 27 LYS HEx 1.0 . 4.19 1146 934 A 27 LYS HGx A 27 LYS HEy 1.0 . 3.34 1147 934 A 27 LYS HEx A 27 LYS HGy 1.0 . 3.34 1148 934 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.34 1149 934 A 27 LYS HEy A 27 LYS HGy 1.0 . 3.34 1150 935 A 28 ASN HBx A 28 ASN H 1.0 . 3.41 1151 935 A 28 ASN H A 28 ASN HBy 1.0 . 3.41 1152 936 A 28 ASN HD2y A 28 ASN H 1.0 . 5.34 1153 936 A 28 ASN H A 28 ASN HD2x 1.0 . 5.34 1154 937 A 28 ASN HA A 31 ASN HBy 1.0 . 3.20 1155 937 A 28 ASN HA A 31 ASN HBx 1.0 . 3.20 1156 938 A 28 ASN HBx A 29 THR H 1.0 . 3.99 1157 938 A 29 THR H A 28 ASN HBy 1.0 . 3.99 1158 939 A 29 THR HG2% A 28 ASN HBx 1.0 . 5.34 1159 939 A 29 THR HG2% A 28 ASN HBy 1.0 . 5.34 1160 940 A 53 LEU HD1% A 28 ASN HBx 1.0 . 4.64 1161 940 A 53 LEU HD1% A 28 ASN HBy 1.0 . 4.64 1162 941 A 53 LEU HD2% A 28 ASN HBx 1.0 . 4.36 1163 941 A 53 LEU HD2% A 28 ASN HBy 1.0 . 4.36 1164 942 A 53 LEU HD1% A 28 ASN HD2x 1.0 . 5.34 1165 942 A 53 LEU HD1% A 28 ASN HD2y 1.0 . 5.34 1166 943 A 53 LEU HD2% A 28 ASN HD2x 1.0 . 5.34 1167 943 A 53 LEU HD2% A 28 ASN HD2y 1.0 . 5.34 1168 944 A 29 THR HB A 30 ASP HBy 1.0 . 5.34 1169 944 A 29 THR HB A 30 ASP HBx 1.0 . 5.34 1170 945 A 29 THR HB A 32 TYR HBx 1.0 . 4.05 1171 945 A 29 THR HB A 32 TYR HBy 1.0 . 4.05 1172 946 A 30 ASP HBy A 30 ASP H 1.0 . 3.39 1173 946 A 30 ASP H A 30 ASP HBx 1.0 . 3.39 1174 947 A 30 ASP HBy A 31 ASN H 1.0 . 3.94 1175 947 A 31 ASN H A 30 ASP HBx 1.0 . 3.94 1176 948 A 31 ASN HBy A 31 ASN H 1.0 . 3.29 1177 948 A 31 ASN H A 31 ASN HBx 1.0 . 3.29 1178 949 A 31 ASN HA A 34 ARG HBy 1.0 . 4.40 1179 949 A 31 ASN HA A 34 ARG HBx 1.0 . 4.40 1180 950 A 31 ASN HBy A 32 TYR H 1.0 . 4.29 1181 950 A 32 TYR H A 31 ASN HBx 1.0 . 4.29 1182 951 A 31 ASN HBx A 34 ARG HBx 1.0 . 5.10 1183 951 A 34 ARG HBy A 31 ASN HBy 1.0 . 5.10 1184 951 A 34 ARG HBy A 31 ASN HBx 1.0 . 5.10 1185 951 A 31 ASN HBy A 34 ARG HBx 1.0 . 5.10 1186 952 A 32 TYR HBx A 32 TYR H 1.0 . 3.45 1187 952 A 32 TYR H A 32 TYR HBy 1.0 . 3.45 1188 953 A 32 TYR HA A 35 GLU HBx 1.0 . 4.32 1189 953 A 32 TYR HA A 35 GLU HBy 1.0 . 4.32 1190 954 A 32 TYR HA A 35 GLU HGy 1.0 . 5.23 1191 954 A 32 TYR HA A 35 GLU HGx 1.0 . 5.23 1192 955 A 32 TYR HBx A 33 ALA H 1.0 . 3.62 1193 955 A 33 ALA H A 32 TYR HBy 1.0 . 3.62 1194 956 A 33 ALA HB% A 32 TYR HBy 1.0 . 5.20 1195 956 A 33 ALA HB% A 32 TYR HBx 1.0 . 5.20 1196 957 A 32 TYR HBx A 34 ARG H 1.0 . 5.34 1197 957 A 34 ARG H A 32 TYR HBy 1.0 . 5.34 1198 958 A 49 ALA HB% A 32 TYR HBy 1.0 . 4.36 1199 958 A 49 ALA HB% A 32 TYR HBx 1.0 . 4.36 1200 959 A 53 LEU HD1% A 32 TYR HBy 1.0 . 4.85 1201 959 A 53 LEU HD1% A 32 TYR HBx 1.0 . 4.85 1202 960 A 32 TYR HD% A 35 GLU HBy 1.0 . 4.83 1203 960 A 32 TYR HD% A 35 GLU HBx 1.0 . 4.83 1204 961 A 32 TYR HD% A 36 ILE HG1x 1.0 . 5.34 1205 961 A 32 TYR HD% A 36 ILE HG1y 1.0 . 5.34 1206 962 A 32 TYR HD% A 48 LYS HBx 1.0 . 5.34 1207 962 A 32 TYR HD% A 48 LYS HBy 1.0 . 5.34 1208 963 A 32 TYR HE% A 48 LYS HBx 1.0 . 3.33 1209 963 A 32 TYR HE% A 48 LYS HBy 1.0 . 3.33 1210 964 A 32 TYR HE% A 48 LYS HGx 1.0 . 4.69 1211 964 A 32 TYR HE% A 48 LYS HGy 1.0 . 4.69 1212 965 A 32 TYR HE% A 52 HIS HBy 1.0 . 4.72 1213 965 A 32 TYR HE% A 52 HIS HBx 1.0 . 4.72 1214 966 A 33 ALA HA A 36 ILE HG1y 1.0 . 3.80 1215 966 A 33 ALA HA A 36 ILE HG1x 1.0 . 3.80 1216 967 A 33 ALA HB% A 36 ILE HG1x 1.0 . 4.23 1217 967 A 33 ALA HB% A 36 ILE HG1y 1.0 . 4.23 1218 968 A 34 ARG HBy A 34 ARG H 1.0 . 3.24 1219 968 A 34 ARG H A 34 ARG HBx 1.0 . 3.24 1220 969 A 34 ARG HDy A 34 ARG H 1.0 . 5.34 1221 969 A 34 ARG H A 34 ARG HDx 1.0 . 5.34 1222 970 A 36 ILE HG1y A 34 ARG H 1.0 . 5.34 1223 970 A 34 ARG H A 36 ILE HG1x 1.0 . 5.34 1224 971 A 35 GLU HBx A 35 GLU H 1.0 . 3.32 1225 971 A 35 GLU H A 35 GLU HBy 1.0 . 3.32 1226 972 A 35 GLU HGy A 35 GLU H 1.0 . 4.18 1227 972 A 35 GLU H A 35 GLU HGx 1.0 . 4.18 1228 973 A 35 GLU HBx A 36 ILE H 1.0 . 3.98 1229 973 A 36 ILE H A 35 GLU HBy 1.0 . 3.98 1230 974 A 36 ILE HG2% A 35 GLU HBx 1.0 . 4.19 1231 974 A 36 ILE HG2% A 35 GLU HBy 1.0 . 4.19 1232 975 A 35 GLU HBx A 36 ILE HG1y 1.0 . 4.87 1233 975 A 35 GLU HBy A 36 ILE HG1x 1.0 . 4.87 1234 975 A 36 ILE HG1y A 35 GLU HBy 1.0 . 4.87 1235 975 A 35 GLU HBx A 36 ILE HG1x 1.0 . 4.87 1236 976 A 36 ILE HG1y A 36 ILE H 1.0 . 3.59 1237 976 A 36 ILE H A 36 ILE HG1x 1.0 . 3.59 1238 977 A 36 ILE HG1y A 37 GLY H 1.0 . 4.78 1239 977 A 37 GLY H A 36 ILE HG1x 1.0 . 4.78 1240 978 A 36 ILE HG1y A 38 GLU H 1.0 . 3.98 1241 978 A 38 GLU H A 36 ILE HG1x 1.0 . 3.98 1242 979 A 36 ILE HG1x A 38 GLU HGx 1.0 . 4.39 1243 979 A 36 ILE HG1y A 38 GLU HGy 1.0 . 4.39 1244 979 A 38 GLU HGy A 36 ILE HG1x 1.0 . 4.39 1245 979 A 36 ILE HG1y A 38 GLU HGx 1.0 . 4.39 1246 980 A 36 ILE HD1% A 38 GLU HGx 1.0 . 3.70 1247 980 A 36 ILE HD1% A 38 GLU HGy 1.0 . 3.70 1248 981 A 38 GLU HGy A 38 GLU H 1.0 . 4.05 1249 981 A 38 GLU H A 38 GLU HGx 1.0 . 4.05 1250 982 A 38 GLU HGy A 40 VAL H 1.0 . 5.34 1251 982 A 40 VAL H A 38 GLU HGx 1.0 . 5.34 1252 983 A 45 VAL HG1% A 38 GLU HGx 1.0 . 5.34 1253 983 A 45 VAL HG1% A 38 GLU HGy 1.0 . 5.34 1254 984 A 45 VAL HG2% A 38 GLU HGx 1.0 . 4.27 1255 984 A 45 VAL HG2% A 38 GLU HGy 1.0 . 4.27 1256 985 A 40 VAL HG2% A 39 PRO HBx 1.0 . 4.80 1257 985 A 40 VAL HG2% A 39 PRO HBy 1.0 . 4.80 1258 986 A 39 PRO HGx A 40 VAL H 1.0 . 4.50 1259 986 A 40 VAL H A 39 PRO HGy 1.0 . 4.50 1260 987 A 40 VAL HG2% A 39 PRO HGx 1.0 . 3.90 1261 987 A 40 VAL HG2% A 39 PRO HGy 1.0 . 3.90 1262 988 A 44 ASP HBy A 44 ASP H 1.0 . 3.41 1263 988 A 44 ASP H A 44 ASP HBx 1.0 . 3.41 1264 989 A 45 VAL HG2% A 44 ASP HBy 1.0 . 5.27 1265 989 A 45 VAL HG2% A 44 ASP HBx 1.0 . 5.27 1266 990 A 45 VAL HA A 48 LYS HBy 1.0 . 4.04 1267 990 A 45 VAL HA A 48 LYS HBx 1.0 . 4.04 1268 991 A 45 VAL HA A 48 LYS HDx 1.0 . 5.06 1269 991 A 45 VAL HA A 48 LYS HDy 1.0 . 5.06 1270 992 A 47 ARG HGx A 47 ARG H 1.0 . 4.52 1271 992 A 47 ARG H A 47 ARG HGy 1.0 . 4.52 1272 993 A 47 ARG HA A 47 ARG HGx 1.0 . 3.68 1273 993 A 47 ARG HA A 47 ARG HGy 1.0 . 3.68 1274 994 A 47 ARG HA A 50 LYS HGy 1.0 . 5.34 1275 994 A 47 ARG HA A 50 LYS HGx 1.0 . 5.34 1276 995 A 48 LYS HGy A 48 LYS H 1.0 . 4.06 1277 995 A 48 LYS H A 48 LYS HGx 1.0 . 4.06 1278 996 A 48 LYS HDx A 48 LYS H 1.0 . 5.30 1279 996 A 48 LYS H A 48 LYS HDy 1.0 . 5.30 1280 997 A 48 LYS HBy A 48 LYS HDy 1.0 . 3.29 1281 997 A 48 LYS HDx A 48 LYS HBx 1.0 . 3.29 1282 997 A 48 LYS HBx A 48 LYS HDy 1.0 . 3.29 1283 997 A 48 LYS HBy A 48 LYS HDx 1.0 . 3.29 1284 998 A 48 LYS HEy A 48 LYS HBy 1.0 . 4.24 1285 998 A 48 LYS HBy A 48 LYS HEx 1.0 . 4.24 1286 998 A 48 LYS HEy A 48 LYS HBx 1.0 . 4.24 1287 998 A 48 LYS HBx A 48 LYS HEx 1.0 . 4.24 1288 999 A 48 LYS HBy A 49 ALA H 1.0 . 3.84 1289 999 A 49 ALA H A 48 LYS HBx 1.0 . 3.84 1290 1000 A 50 LYS HBy A 50 LYS H 1.0 . 3.42 1291 1000 A 50 LYS H A 50 LYS HBx 1.0 . 3.42 1292 1001 A 50 LYS HEy A 50 LYS HBx 1.0 . 5.34 1293 1001 A 50 LYS HBy A 50 LYS HEx 1.0 . 5.34 1294 1001 A 50 LYS HBx A 50 LYS HEx 1.0 . 5.34 1295 1001 A 50 LYS HEy A 50 LYS HBy 1.0 . 5.34 1296 1002 A 50 LYS HBy A 51 GLU H 1.0 . 3.78 1297 1002 A 51 GLU H A 50 LYS HBx 1.0 . 3.78 1298 1003 A 50 LYS HGy A 51 GLU H 1.0 . 5.34 1299 1003 A 51 GLU H A 50 LYS HGx 1.0 . 5.34 1300 1004 A 51 GLU HGy A 51 GLU H 1.0 . 4.00 1301 1004 A 51 GLU H A 51 GLU HGx 1.0 . 4.00 1302 1005 A 52 HIS HBx A 52 HIS H 1.0 . 3.67 1303 1005 A 52 HIS H A 52 HIS HBy 1.0 . 3.67 1304 1006 A 52 HIS HBx A 53 LEU H 1.0 . 4.02 1305 1006 A 53 LEU H A 52 HIS HBy 1.0 . 4.02 1306 1007 A 53 LEU HBy A 53 LEU H 1.0 . 3.61 1307 1007 A 53 LEU H A 53 LEU HBx 1.0 . 3.61 1308 1008 A 53 LEU HBy A 54 GLY H 1.0 . 4.27 1309 1008 A 54 GLY H A 53 LEU HBx 1.0 . 4.27 1310 1009 A 54 GLY HAy A 53 LEU HBx 1.0 . 5.34 1311 1009 A 53 LEU HBx A 54 GLY HAx 1.0 . 5.34 1312 1009 A 53 LEU HBy A 54 GLY HAy 1.0 . 5.34 1313 1009 A 53 LEU HBy A 54 GLY HAx 1.0 . 5.34 1314 1010 A 53 LEU HBy A 55 GLY H 1.0 . 5.34 1315 1010 A 55 GLY H A 53 LEU HBx 1.0 . 5.34 1316 1011 A 56 LEU HBx A 55 GLY HAx 1.0 . 5.34 1317 1011 A 55 GLY HAy A 56 LEU HBy 1.0 . 5.34 1318 1011 A 55 GLY HAx A 56 LEU HBy 1.0 . 5.34 1319 1011 A 55 GLY HAy A 56 LEU HBx 1.0 . 5.34 1320 1012 A 56 LEU HBx A 56 LEU H 1.0 . 3.67 1321 1012 A 56 LEU H A 56 LEU HBy 1.0 . 3.67 1322 1013 A 57 GLU HGx A 57 GLU H 1.0 . 4.81 1323 1013 A 57 GLU H A 57 GLU HGy 1.0 . 4.81 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 SER C A 6 TRP N A 6 TRP CA A 6 TRP C 1.0 -131.5 -70.5 PHI 2 2 A 6 TRP N A 6 TRP CA A 6 TRP C A 7 THR N 1.0 122.9 172.3 PSI 3 3 A 6 TRP C A 7 THR N A 7 THR CA A 7 THR C 1.0 -98.8 -72.4 PHI 4 4 A 7 THR N A 7 THR CA A 7 THR C A 8 ALA N 1.0 158.5 178.5 PSI 5 5 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -69.1 -46.9 PHI 6 6 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 GLU N 1.0 -54.6 -24.6 PSI 7 7 A 8 ALA C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -78.2 -56.8 PHI 8 8 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ALA N 1.0 -53.4 -29.8 PSI 9 9 A 9 GLU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -72.9 -52.9 PHI 10 10 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -52.0 -27.4 PSI 11 11 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -73.7 -53.7 PHI 12 12 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LYS N 1.0 -52.1 -32.1 PSI 13 13 A 11 GLU C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -76.0 -56.0 PHI 14 14 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 MET N 1.0 -51.5 -31.5 PSI 15 15 A 12 LYS C A 13 MET N A 13 MET CA A 13 MET C 1.0 -79.8 -53.8 PHI 16 16 A 13 MET N A 13 MET CA A 13 MET C A 14 LEU N 1.0 -51.3 -27.5 PSI 17 17 A 13 MET C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -77.6 -56.6 PHI 18 18 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLY N 1.0 -48.4 -5.0 PSI 19 19 A 14 LEU C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -78.2 -52.8 PHI 20 20 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 LYS N 1.0 -41.8 -1.6 PSI 21 21 A 21 VAL C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -62.7 -42.7 PHI 22 22 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 -62.6 -37.0 PSI 23 23 A 22 ARG C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -71.3 -51.3 PHI 24 24 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 LYS N 1.0 -53.5 -25.1 PSI 25 25 A 23 LYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -75.7 -55.7 PHI 26 26 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 VAL N 1.0 -52.5 -29.5 PSI 27 27 A 24 LYS C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -74.2 -54.2 PHI 28 28 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ARG N 1.0 -50.4 -30.4 PSI 29 29 A 25 VAL C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -76.2 -56.2 PHI 30 30 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 LYS N 1.0 -52.9 -32.9 PSI 31 31 A 26 ARG C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -70.6 -50.6 PHI 32 32 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ASN N 1.0 -52.3 -32.3 PSI 33 33 A 27 LYS C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -74.7 -54.7 PHI 34 34 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 THR N 1.0 -47.5 -26.9 PSI 35 35 A 28 ASN C A 29 THR N A 29 THR CA A 29 THR C 1.0 -78.5 -55.5 PHI 36 36 A 29 THR N A 29 THR CA A 29 THR C A 30 ASP N 1.0 -53.0 -27.8 PSI 37 37 A 29 THR C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -78.3 -52.7 PHI 38 38 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 ASN N 1.0 -55.6 -26.2 PSI 39 39 A 30 ASP C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -76.9 -55.3 PHI 40 40 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 TYR N 1.0 -47.6 -24.4 PSI 41 41 A 31 ASN C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -72.7 -52.7 PHI 42 42 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 ALA N 1.0 -58.4 -37.2 PSI 43 43 A 32 TYR C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -71.3 -50.1 PHI 44 44 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ARG N 1.0 -58.6 -32.4 PSI 45 45 A 33 ALA C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -75.4 -52.6 PHI 46 46 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 GLU N 1.0 -55.9 -21.9 PSI 47 47 A 34 ARG C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -79.4 -48.4 PHI 48 48 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 -51.5 -22.1 PSI 49 49 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -112.3 -71.1 PHI 50 50 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 GLY N 1.0 -19.1 23.7 PSI 51 51 A 42 THR C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -68.6 -46.6 PHI 52 52 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ASP N 1.0 -52.9 -21.7 PSI 53 53 A 43 ALA C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -74.4 -54.4 PHI 54 54 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 VAL N 1.0 -52.6 -26.8 PSI 55 55 A 44 ASP C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -76.1 -52.7 PHI 56 56 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 PHE N 1.0 -55.7 -35.7 PSI 57 57 A 45 VAL C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -71.6 -51.6 PHI 58 58 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 ARG N 1.0 -53.3 -33.3 PSI 59 59 A 46 PHE C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -72.4 -52.4 PHI 60 60 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 LYS N 1.0 -51.9 -31.9 PSI 61 61 A 47 ARG C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -75.4 -55.4 PHI 62 62 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ALA N 1.0 -53.6 -33.6 PSI 63 63 A 48 LYS C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -78.3 -50.7 PHI 64 64 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 LYS N 1.0 -54.9 -26.3 PSI 65 65 A 49 ALA C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -74.8 -43.6 PHI 66 66 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 GLU N 1.0 -59.1 -19.5 PSI 67 67 A 50 LYS C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -77.0 -52.4 PHI 68 68 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 HIS N 1.0 -51.0 -31.0 PSI 69 69 A 51 GLU C A 52 HIS N A 52 HIS CA A 52 HIS C 1.0 -80.5 -45.9 PHI 70 70 A 52 HIS N A 52 HIS CA A 52 HIS C A 53 LEU N 1.0 -61.1 -17.9 PSI stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 5 SER C A 6 TRP N A 6 TRP CA A 6 TRP C 1.0 -131.5 -70.5 PHI 2 2 A 6 TRP N A 6 TRP CA A 6 TRP C A 7 THR N 1.0 122.9 172.3 PSI 3 3 A 6 TRP C A 7 THR N A 7 THR CA A 7 THR C 1.0 -98.8 -72.5 PHI 4 4 A 7 THR N A 7 THR CA A 7 THR C A 8 ALA N 1.0 158.5 178.5 PSI 5 5 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -69.1 -46.9 PHI 6 6 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 GLU N 1.0 -54.6 -24.7 PSI 7 7 A 8 ALA C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -78.2 -56.8 PHI 8 8 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 ALA N 1.0 -53.4 -29.9 PSI 9 9 A 9 GLU C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -72.9 -52.9 PHI 10 10 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -52.0 -27.4 PSI 11 11 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -73.7 -53.7 PHI 12 12 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LYS N 1.0 -52.1 -32.1 PSI 13 13 A 11 GLU C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -76.0 -56.0 PHI 14 14 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 MET N 1.0 -51.5 -31.5 PSI 15 15 A 12 LYS C A 13 MET N A 13 MET CA A 13 MET C 1.0 -79.7 -53.8 PHI 16 16 A 13 MET N A 13 MET CA A 13 MET C A 14 LEU N 1.0 -51.3 -27.5 PSI 17 17 A 13 MET C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -77.6 -56.6 PHI 18 18 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 GLY N 1.0 -48.5 -5.0 PSI 19 19 A 14 LEU C A 15 GLY N A 15 GLY CA A 15 GLY C 1.0 -78.2 -52.8 PHI 20 20 A 15 GLY N A 15 GLY CA A 15 GLY C A 16 LYS N 1.0 -41.8 -1.6 PSI 21 21 A 21 VAL C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -62.7 -42.7 PHI 22 22 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LYS N 1.0 -62.6 -37.0 PSI 23 23 A 22 ARG C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -71.3 -51.3 PHI 24 24 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 LYS N 1.0 -53.5 -25.1 PSI 25 25 A 23 LYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -75.7 -55.7 PHI 26 26 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 VAL N 1.0 -52.6 -29.5 PSI 27 27 A 24 LYS C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -74.2 -54.2 PHI 28 28 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 ARG N 1.0 -50.4 -30.4 PSI 29 29 A 25 VAL C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -76.2 -56.2 PHI 30 30 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 LYS N 1.0 -52.9 -32.9 PSI 31 31 A 26 ARG C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -70.6 -50.6 PHI 32 32 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 ASN N 1.0 -52.3 -32.3 PSI 33 33 A 27 LYS C A 28 ASN N A 28 ASN CA A 28 ASN C 1.0 -74.7 -54.7 PHI 34 34 A 28 ASN N A 28 ASN CA A 28 ASN C A 29 THR N 1.0 -47.5 -26.8 PSI 35 35 A 28 ASN C A 29 THR N A 29 THR CA A 29 THR C 1.0 -78.4 -55.5 PHI 36 36 A 29 THR N A 29 THR CA A 29 THR C A 30 ASP N 1.0 -52.9 -27.8 PSI 37 37 A 29 THR C A 30 ASP N A 30 ASP CA A 30 ASP C 1.0 -78.2 -52.7 PHI 38 38 A 30 ASP N A 30 ASP CA A 30 ASP C A 31 ASN N 1.0 -55.7 -26.2 PSI 39 39 A 30 ASP C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -76.9 -55.3 PHI 40 40 A 31 ASN N A 31 ASN CA A 31 ASN C A 32 TYR N 1.0 -47.6 -24.4 PSI 41 41 A 31 ASN C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -72.7 -52.7 PHI 42 42 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 ALA N 1.0 -58.4 -37.2 PSI 43 43 A 32 TYR C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -71.3 -50.2 PHI 44 44 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 ARG N 1.0 -58.5 -32.4 PSI 45 45 A 33 ALA C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -75.4 -52.6 PHI 46 46 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 GLU N 1.0 -56.0 -21.9 PSI 47 47 A 34 ARG C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -79.4 -48.5 PHI 48 48 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ILE N 1.0 -51.5 -22.2 PSI 49 49 A 35 GLU C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -112.3 -71.0 PHI 50 50 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 GLY N 1.0 -19.1 23.7 PSI 51 51 A 42 THR C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -68.5 -46.6 PHI 52 52 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ASP N 1.0 -52.9 -21.7 PSI 53 53 A 43 ALA C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -74.4 -54.4 PHI 54 54 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 VAL N 1.0 -52.6 -26.8 PSI 55 55 A 44 ASP C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -76.1 -52.8 PHI 56 56 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 PHE N 1.0 -55.7 -35.7 PSI 57 57 A 45 VAL C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -71.6 -51.6 PHI 58 58 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 ARG N 1.0 -53.3 -33.3 PSI 59 59 A 46 PHE C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -72.4 -52.4 PHI 60 60 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 LYS N 1.0 -51.9 -31.9 PSI 61 61 A 47 ARG C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -75.4 -55.4 PHI 62 62 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 ALA N 1.0 -53.6 -33.6 PSI 63 63 A 48 LYS C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -78.2 -50.7 PHI 64 64 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 LYS N 1.0 -54.9 -26.4 PSI 65 65 A 49 ALA C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -74.8 -43.6 PHI 66 66 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 GLU N 1.0 -59.2 -19.5 PSI 67 67 A 50 LYS C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -77.0 -52.4 PHI 68 68 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 HIS N 1.0 -51.0 -31.0 PSI 69 69 A 51 GLU C A 52 HIS N A 52 HIS CA A 52 HIS C 1.0 -80.5 -45.9 PHI 70 70 A 52 HIS N A 52 HIS CA A 52 HIS C A 53 LEU N 1.0 -61.1 -17.9 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8.0031 2 1H 12.1999 3 15N 26.6563 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 16.0062 2 1H 12.1999 3 13C 44.0066 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8.0031 2 1H 12.1999 3 13C 44.0066 stop_ save_