data_nef_c30559_6nnb 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6NNB 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 SER start . . 2 A 2 ASN middle . . 3 A 3 ALA middle . . 4 A 4 MET middle . . 5 A 5 GLU middle . . 6 A 6 LEU middle . . 7 A 7 ASP middle . . 8 A 8 LEU middle . . 9 A 9 GLN middle . . 10 A 10 PRO middle . false 11 A 11 GLY middle . false 12 A 12 ASP middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 LYS middle . . 16 A 16 VAL middle . . 17 A 17 LEU middle . . 18 A 18 GLU middle . . 19 A 19 SER middle . . 20 A 20 ALA middle . . 21 A 21 ALA middle . . 22 A 22 LEU middle . . 23 A 23 GLY middle . false 24 A 24 TRP middle . . 25 A 25 VAL middle . . 26 A 26 ARG middle . . 27 A 27 ALA middle . . 28 A 28 ARG middle . . 29 A 29 VAL middle . . 30 A 30 ILE middle . . 31 A 31 ARG middle . . 32 A 32 VAL middle . . 33 A 33 LYS middle . . 34 A 34 SER middle . . 35 A 35 GLY middle . false 36 A 36 GLY middle . false 37 A 37 ARG middle . . 38 A 38 VAL middle . . 39 A 39 VAL middle . . 40 A 40 VAL middle . . 41 A 41 GLN middle . . 42 A 42 SER middle . . 43 A 43 ASP middle . . 44 A 44 GLN middle . . 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 GLU middle . . 48 A 48 PHE middle . . 49 A 49 THR middle . . 50 A 50 ALA middle . . 51 A 51 ARG middle . . 52 A 52 GLY middle . false 53 A 53 ASN middle . . 54 A 54 GLN middle . . 55 A 55 VAL middle . . 56 A 56 ARG middle . . 57 A 57 LEU middle . . 58 A 58 ILE middle . . 59 A 59 GLU end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 2 ASN HA H 1 4.800 0.020 A 2 ASN HBx H 1 2.819 0.020 A 2 ASN HBy H 1 2.894 0.020 A 2 ASN C C 13 172.120 0.3 A 2 ASN CA C 13 53.225 0.3 A 2 ASN CB C 13 39.180 0.3 A 3 ALA H H 1 8.450 0.020 A 3 ALA HA H 1 4.301 0.020 A 3 ALA HB% H 1 1.411 0.020 A 3 ALA C C 13 177.656 0.3 A 3 ALA CA C 13 52.958 0.3 A 3 ALA CB C 13 19.173 0.3 A 3 ALA N N 15 124.179 0.3 A 4 MET H H 1 8.329 0.020 A 4 MET HA H 1 4.450 0.020 A 4 MET HBx H 1 2.051 0.020 A 4 MET HBy H 1 2.135 0.020 A 4 MET HE% H 1 2.125 0.020 A 4 MET HGx H 1 2.561 0.020 A 4 MET HGy H 1 2.636 0.020 A 4 MET C C 13 176.247 0.3 A 4 MET CA C 13 55.782 0.3 A 4 MET CB C 13 32.972 0.3 A 4 MET CE C 13 17.170 0.3 A 4 MET CG C 13 32.138 0.3 A 4 MET N N 15 118.577 0.3 A 5 GLU H H 1 8.352 0.020 A 5 GLU HA H 1 4.323 0.020 A 5 GLU HBx H 1 1.938 0.020 A 5 GLU HBy H 1 2.068 0.020 A 5 GLU HG2 H 1 2.275 0.020 A 5 GLU HG3 H 1 2.275 0.020 A 5 GLU CA C 13 56.454 0.3 A 5 GLU CB C 13 30.191 0.3 A 5 GLU CG C 13 36.246 0.3 A 5 GLU N N 15 121.490 0.3 A 6 LEU H H 1 8.166 0.020 A 6 LEU HA H 1 4.349 0.020 A 6 LEU HBx H 1 1.418 0.020 A 6 LEU HBy H 1 1.657 0.020 A 6 LEU HG H 1 0.891 0.020 A 6 LEU C C 13 176.524 0.3 A 6 LEU CA C 13 54.727 0.3 A 6 LEU CB C 13 43.192 0.3 A 6 LEU CD1 C 13 23.332 0.3 A 6 LEU CG C 13 25.378 0.3 A 6 LEU N N 15 121.800 0.3 A 7 ASP H H 1 8.534 0.020 A 7 ASP HA H 1 4.725 0.020 A 7 ASP HBx H 1 2.497 0.020 A 7 ASP HBy H 1 2.785 0.020 A 7 ASP C C 13 175.438 0.3 A 7 ASP CA C 13 53.513 0.3 A 7 ASP CB C 13 40.474 0.3 A 7 ASP N N 15 123.162 0.3 A 8 LEU H H 1 7.639 0.020 A 8 LEU HA H 1 4.512 0.020 A 8 LEU HBx H 1 1.218 0.020 A 8 LEU HBy H 1 1.575 0.020 A 8 LEU HD1% H 1 0.834 0.020 A 8 LEU HD2% H 1 0.834 0.020 A 8 LEU HG H 1 0.818 0.020 A 8 LEU C C 13 175.727 0.3 A 8 LEU CA C 13 54.229 0.3 A 8 LEU CB C 13 44.758 0.3 A 8 LEU CD1 C 13 23.613 0.3 A 8 LEU CG C 13 26.787 0.3 A 8 LEU N N 15 121.393 0.3 A 9 GLN H H 1 8.931 0.020 A 9 GLN HA H 1 4.742 0.020 A 9 GLN HBy H 1 2.018 0.020 A 9 GLN HBx H 1 1.795 0.020 A 9 GLN HE21 H 1 7.488 0.020 A 9 GLN HE22 H 1 6.707 0.020 A 9 GLN HG2 H 1 2.353 0.020 A 9 GLN HG3 H 1 2.353 0.020 A 9 GLN C C 13 173.140 0.3 A 9 GLN CA C 13 52.062 0.3 A 9 GLN CB C 13 30.129 0.3 A 9 GLN CG C 13 33.053 0.3 A 9 GLN N N 15 119.819 0.3 A 9 GLN NE2 N 15 113.444 0.3 A 10 PRO HA H 1 3.815 0.020 A 10 PRO HBx H 1 1.879 0.020 A 10 PRO HBy H 1 2.299 0.020 A 10 PRO HDx H 1 3.638 0.020 A 10 PRO HDy H 1 3.772 0.020 A 10 PRO HGx H 1 1.881 0.020 A 10 PRO HGy H 1 2.260 0.020 A 10 PRO C C 13 174.684 0.3 A 10 PRO CA C 13 63.846 0.3 A 10 PRO CB C 13 31.452 0.3 A 10 PRO CD C 13 50.693 0.3 A 10 PRO CG C 13 28.614 0.3 A 11 GLY H H 1 9.301 0.020 A 11 GLY HAx H 1 3.524 0.020 A 11 GLY HAy H 1 4.524 0.020 A 11 GLY C C 13 174.688 0.3 A 11 GLY CA C 13 44.788 0.3 A 11 GLY N N 15 114.187 0.3 A 12 ASP H H 1 8.101 0.020 A 12 ASP HA H 1 4.564 0.020 A 12 ASP HBx H 1 2.434 0.020 A 12 ASP HBy H 1 2.665 0.020 A 12 ASP C C 13 175.242 0.3 A 12 ASP CA C 13 55.961 0.3 A 12 ASP CB C 13 41.137 0.3 A 12 ASP N N 15 122.331 0.3 A 13 VAL H H 1 8.476 0.020 A 13 VAL HA H 1 4.698 0.020 A 13 VAL HB H 1 2.009 0.020 A 13 VAL HG1% H 1 1.024 0.020 A 13 VAL HG2% H 1 1.024 0.020 A 13 VAL C C 13 175.843 0.3 A 13 VAL CA C 13 62.651 0.3 A 13 VAL CB C 13 31.909 0.3 A 13 VAL CG1 C 13 21.452 0.3 A 13 VAL CG2 C 13 21.452 0.3 A 13 VAL N N 15 122.219 0.3 A 14 VAL H H 1 8.789 0.020 A 14 VAL HA H 1 4.990 0.020 A 14 VAL HB H 1 2.286 0.020 A 14 VAL HGx% H 1 0.691 0.020 A 14 VAL HGy% H 1 0.458 0.020 A 14 VAL C C 13 174.503 0.3 A 14 VAL CA C 13 58.709 0.3 A 14 VAL CB C 13 36.062 0.3 A 14 VAL CG1 C 13 22.728 0.3 A 14 VAL CG2 C 13 18.042 0.3 A 14 VAL N N 15 118.780 0.3 A 15 LYS H H 1 8.994 0.020 A 15 LYS HA H 1 5.531 0.020 A 15 LYS HBx H 1 1.657 0.020 A 15 LYS HBy H 1 1.802 0.020 A 15 LYS HDx H 1 1.341 0.020 A 15 LYS HDy H 1 1.439 0.020 A 15 LYS HEx H 1 2.454 0.020 A 15 LYS HEy H 1 2.651 0.020 A 15 LYS HGx H 1 1.288 0.020 A 15 LYS HGy H 1 1.433 0.020 A 15 LYS C C 13 175.843 0.3 A 15 LYS CA C 13 54.623 0.3 A 15 LYS CB C 13 35.656 0.3 A 15 LYS CD C 13 29.697 0.3 A 15 LYS CE C 13 41.738 0.3 A 15 LYS CG C 13 25.301 0.3 A 15 LYS N N 15 116.914 0.3 A 16 VAL H H 1 9.539 0.020 A 16 VAL HA H 1 5.559 0.020 A 16 VAL HB H 1 1.914 0.020 A 16 VAL HGx% H 1 0.852 0.020 A 16 VAL HGy% H 1 0.888 0.020 A 16 VAL C C 13 174.075 0.3 A 16 VAL CA C 13 58.859 0.3 A 16 VAL CB C 13 35.931 0.3 A 16 VAL CG1 C 13 22.307 0.3 A 16 VAL CG2 C 13 22.100 0.3 A 16 VAL N N 15 119.279 0.3 A 17 LEU H H 1 8.207 0.020 A 17 LEU HA H 1 3.859 0.020 A 17 LEU HBx H 1 -1.046 0.020 A 17 LEU HBy H 1 1.051 0.020 A 17 LEU HDx% H 1 0.385 0.020 A 17 LEU HDy% H 1 -0.085 0.020 A 17 LEU HG H 1 0.497 0.020 A 17 LEU C C 13 175.300 0.3 A 17 LEU CA C 13 52.883 0.3 A 17 LEU CB C 13 39.732 0.3 A 17 LEU CD1 C 13 25.036 0.3 A 17 LEU CD2 C 13 22.409 0.3 A 17 LEU CG C 13 26.756 0.3 A 17 LEU N N 15 130.993 0.3 A 18 GLU H H 1 8.580 0.020 A 18 GLU HA H 1 3.733 0.020 A 18 GLU HB2 H 1 1.742 0.020 A 18 GLU HB3 H 1 1.742 0.020 A 18 GLU HGx H 1 1.585 0.020 A 18 GLU HGy H 1 1.722 0.020 A 18 GLU C C 13 176.628 0.3 A 18 GLU CA C 13 59.143 0.3 A 18 GLU CB C 13 30.623 0.3 A 18 GLU CG C 13 35.827 0.3 A 18 GLU N N 15 129.572 0.3 A 19 SER H H 1 7.420 0.020 A 19 SER HA H 1 4.379 0.020 A 19 SER HBx H 1 3.904 0.020 A 19 SER HBy H 1 4.011 0.020 A 19 SER C C 13 173.948 0.3 A 19 SER CA C 13 56.562 0.3 A 19 SER CB C 13 65.073 0.3 A 19 SER N N 15 108.386 0.3 A 20 ALA HA H 1 3.990 0.020 A 20 ALA HB% H 1 1.409 0.020 A 20 ALA C C 13 176.405 0.3 A 20 ALA CA C 13 54.850 0.3 A 20 ALA CB C 13 17.895 0.3 A 21 ALA H H 1 7.991 0.020 A 21 ALA HA H 1 4.127 0.020 A 21 ALA HB% H 1 1.338 0.020 A 21 ALA C C 13 179.088 0.3 A 21 ALA CA C 13 53.903 0.3 A 21 ALA CB C 13 18.895 0.3 A 21 ALA N N 15 117.814 0.3 A 22 LEU H H 1 7.447 0.020 A 22 LEU HA H 1 4.234 0.020 A 22 LEU HBx H 1 1.441 0.020 A 22 LEU HBy H 1 1.656 0.020 A 22 LEU HDx% H 1 0.760 0.020 A 22 LEU HDy% H 1 0.799 0.020 A 22 LEU HG H 1 1.443 0.020 A 22 LEU C C 13 178.395 0.3 A 22 LEU CA C 13 55.521 0.3 A 22 LEU CB C 13 42.911 0.3 A 22 LEU CD1 C 13 25.295 0.3 A 22 LEU CD2 C 13 22.899 0.3 A 22 LEU CG C 13 27.391 0.3 A 22 LEU N N 15 117.356 0.3 A 23 GLY H H 1 7.843 0.020 A 23 GLY HAx H 1 3.598 0.020 A 23 GLY HAy H 1 4.120 0.020 A 23 GLY C C 13 172.239 0.3 A 23 GLY CA C 13 44.705 0.3 A 23 GLY N N 15 106.550 0.3 A 24 TRP H H 1 8.280 0.020 A 24 TRP HA H 1 4.744 0.020 A 24 TRP HBx H 1 2.909 0.020 A 24 TRP HBy H 1 3.133 0.020 A 24 TRP HD1 H 1 7.381 0.020 A 24 TRP HE1 H 1 10.324 0.020 A 24 TRP HE3 H 1 7.114 0.020 A 24 TRP HH2 H 1 7.049 0.020 A 24 TRP HZ2 H 1 7.491 0.020 A 24 TRP HZ3 H 1 6.959 0.020 A 24 TRP C C 13 177.760 0.3 A 24 TRP CA C 13 57.089 0.3 A 24 TRP CB C 13 29.879 0.3 A 24 TRP CD1 C 13 127.686 0.3 A 24 TRP CE3 C 13 119.675 0.3 A 24 TRP CH2 C 13 124.135 0.3 A 24 TRP CZ2 C 13 115.141 0.3 A 24 TRP CZ3 C 13 123.127 0.3 A 24 TRP N N 15 119.999 0.3 A 24 TRP NE1 N 15 130.222 0.3 A 25 VAL H H 1 9.397 0.020 A 25 VAL HA H 1 4.812 0.020 A 25 VAL HB H 1 2.404 0.020 A 25 VAL HGx% H 1 1.089 0.020 A 25 VAL HGy% H 1 1.110 0.020 A 25 VAL C C 13 175.103 0.3 A 25 VAL CA C 13 59.769 0.3 A 25 VAL CB C 13 35.568 0.3 A 25 VAL CG1 C 13 21.251 0.3 A 25 VAL CG2 C 13 19.644 0.3 A 25 VAL N N 15 121.028 0.3 A 26 ARG H H 1 8.716 0.020 A 26 ARG HA H 1 4.843 0.020 A 26 ARG HBx H 1 1.770 0.020 A 26 ARG HBy H 1 1.915 0.020 A 26 ARG HD2 H 1 3.268 0.020 A 26 ARG HD3 H 1 3.268 0.020 A 26 ARG HG2 H 1 1.671 0.020 A 26 ARG HG3 H 1 1.671 0.020 A 26 ARG C C 13 175.692 0.3 A 26 ARG CA C 13 56.859 0.3 A 26 ARG CB C 13 31.340 0.3 A 26 ARG CD C 13 43.772 0.3 A 26 ARG CG C 13 28.449 0.3 A 26 ARG N N 15 124.432 0.3 A 27 ALA H H 1 9.336 0.020 A 27 ALA HA H 1 4.889 0.020 A 27 ALA HB% H 1 1.029 0.020 A 27 ALA C C 13 174.364 0.3 A 27 ALA CA C 13 51.110 0.3 A 27 ALA CB C 13 23.490 0.3 A 27 ALA N N 15 125.676 0.3 A 28 ARG H H 1 8.174 0.020 A 28 ARG HA H 1 5.339 0.020 A 28 ARG HB2 H 1 1.654 0.020 A 28 ARG HB3 H 1 1.654 0.020 A 28 ARG HD2 H 1 3.192 0.020 A 28 ARG HD3 H 1 3.192 0.020 A 28 ARG HG2 H 1 1.551 0.020 A 28 ARG HG3 H 1 1.551 0.020 A 28 ARG C C 13 176.559 0.3 A 28 ARG CA C 13 53.591 0.3 A 28 ARG CB C 13 33.511 0.3 A 28 ARG CD C 13 43.448 0.3 A 28 ARG CG C 13 27.606 0.3 A 28 ARG N N 15 117.583 0.3 A 29 VAL H H 1 9.098 0.020 A 29 VAL HA H 1 3.690 0.020 A 29 VAL HB H 1 2.244 0.020 A 29 VAL HGx% H 1 0.883 0.020 A 29 VAL HGy% H 1 0.478 0.020 A 29 VAL C C 13 176.328 0.3 A 29 VAL CA C 13 64.251 0.3 A 29 VAL CB C 13 32.013 0.3 A 29 VAL CG1 C 13 23.476 0.3 A 29 VAL CG2 C 13 21.054 0.3 A 29 VAL N N 15 122.981 0.3 A 30 ILE H H 1 9.636 0.020 A 30 ILE HA H 1 4.233 0.020 A 30 ILE HB H 1 1.666 0.020 A 30 ILE HD1% H 1 0.660 0.020 A 30 ILE HG12 H 1 1.297 0.020 A 30 ILE HG13 H 1 1.297 0.020 A 30 ILE HG2% H 1 0.846 0.020 A 30 ILE C C 13 175.808 0.3 A 30 ILE CA C 13 61.285 0.3 A 30 ILE CB C 13 37.679 0.3 A 30 ILE CD1 C 13 10.444 0.3 A 30 ILE CG1 C 13 26.565 0.3 A 30 ILE CG2 C 13 16.939 0.3 A 30 ILE N N 15 129.869 0.3 A 31 ARG H H 1 7.548 0.020 A 31 ARG HA H 1 4.535 0.020 A 31 ARG HBx H 1 1.753 0.020 A 31 ARG HBy H 1 1.892 0.020 A 31 ARG HDx H 1 3.155 0.020 A 31 ARG HDy H 1 3.237 0.020 A 31 ARG HGx H 1 1.321 0.020 A 31 ARG HGy H 1 1.407 0.020 A 31 ARG C C 13 173.036 0.3 A 31 ARG CA C 13 55.301 0.3 A 31 ARG CB C 13 32.870 0.3 A 31 ARG CD C 13 43.141 0.3 A 31 ARG CG C 13 26.611 0.3 A 31 ARG N N 15 113.511 0.3 A 32 VAL H H 1 8.963 0.020 A 32 VAL HA H 1 4.422 0.020 A 32 VAL HB H 1 2.047 0.020 A 32 VAL HGx% H 1 1.005 0.020 A 32 VAL HGy% H 1 0.812 0.020 A 32 VAL C C 13 175.854 0.3 A 32 VAL CA C 13 62.308 0.3 A 32 VAL CB C 13 32.864 0.3 A 32 VAL CG1 C 13 21.684 0.3 A 32 VAL CG2 C 13 20.982 0.3 A 32 VAL N N 15 122.426 0.3 A 33 LYS H H 1 8.701 0.020 A 33 LYS HA H 1 4.713 0.020 A 33 LYS HBx H 1 1.547 0.020 A 33 LYS HBy H 1 2.052 0.020 A 33 LYS HDx H 1 1.514 0.020 A 33 LYS HDy H 1 1.602 0.020 A 33 LYS HE2 H 1 2.872 0.020 A 33 LYS HE3 H 1 2.872 0.020 A 33 LYS HG2 H 1 1.356 0.020 A 33 LYS HG3 H 1 1.356 0.020 A 33 LYS C C 13 175.554 0.3 A 33 LYS CA C 13 54.694 0.3 A 33 LYS CB C 13 35.369 0.3 A 33 LYS CD C 13 29.453 0.3 A 33 LYS CE C 13 41.518 0.3 A 33 LYS CG C 13 25.263 0.3 A 33 LYS N N 15 125.895 0.3 A 34 SER H H 1 8.395 0.020 A 34 SER HA H 1 4.387 0.020 A 34 SER HB2 H 1 4.012 0.020 A 34 SER HB3 H 1 4.012 0.020 A 34 SER C C 13 175.773 0.3 A 34 SER CA C 13 59.131 0.3 A 34 SER CB C 13 63.760 0.3 A 34 SER N N 15 114.590 0.3 A 35 GLY H H 1 9.093 0.020 A 35 GLY HAx H 1 3.906 0.020 A 35 GLY HAy H 1 4.087 0.020 A 35 GLY C C 13 176.258 0.3 A 35 GLY CA C 13 46.227 0.3 A 35 GLY N N 15 110.043 0.3 A 36 GLY H H 1 8.685 0.020 A 36 GLY HAx H 1 3.823 0.020 A 36 GLY HAy H 1 4.097 0.020 A 36 GLY C C 13 174.145 0.3 A 36 GLY CA C 13 46.492 0.3 A 36 GLY N N 15 108.580 0.3 A 37 ARG H H 1 6.748 0.020 A 37 ARG HA H 1 4.784 0.020 A 37 ARG HBy H 1 1.668 0.020 A 37 ARG HBx H 1 1.461 0.020 A 37 ARG HDx H 1 3.072 0.020 A 37 ARG HDy H 1 3.271 0.020 A 37 ARG HG2 H 1 1.397 0.020 A 37 ARG HG3 H 1 1.397 0.020 A 37 ARG C C 13 174.942 0.3 A 37 ARG CA C 13 55.216 0.3 A 37 ARG CB C 13 32.859 0.3 A 37 ARG CD C 13 43.634 0.3 A 37 ARG CG C 13 27.495 0.3 A 37 ARG N N 15 117.454 0.3 A 38 VAL H H 1 8.977 0.020 A 38 VAL HA H 1 4.566 0.020 A 38 VAL HB H 1 1.895 0.020 A 38 VAL HG1% H 1 0.783 0.020 A 38 VAL HG2% H 1 0.783 0.020 A 38 VAL C C 13 173.914 0.3 A 38 VAL CA C 13 60.511 0.3 A 38 VAL CB C 13 34.726 0.3 A 38 VAL CG1 C 13 22.493 0.3 A 38 VAL CG2 C 13 21.183 0.3 A 38 VAL N N 15 119.294 0.3 A 39 VAL H H 1 9.040 0.020 A 39 VAL HA H 1 4.459 0.020 A 39 VAL HB H 1 1.894 0.020 A 39 VAL HGx% H 1 0.896 0.020 A 39 VAL HGy% H 1 0.817 0.020 A 39 VAL C C 13 176.027 0.3 A 39 VAL CA C 13 62.160 0.3 A 39 VAL CB C 13 31.910 0.3 A 39 VAL CG1 C 13 20.839 0.3 A 39 VAL CG2 C 13 20.836 0.3 A 39 VAL N N 15 126.897 0.3 A 40 VAL H H 1 8.982 0.020 A 40 VAL HA H 1 5.212 0.020 A 40 VAL HB H 1 1.560 0.020 A 40 VAL HGx% H 1 0.496 0.020 A 40 VAL HGy% H 1 -0.150 0.020 A 40 VAL C C 13 173.440 0.3 A 40 VAL CA C 13 58.051 0.3 A 40 VAL CB C 13 34.967 0.3 A 40 VAL CG1 C 13 21.642 0.3 A 40 VAL CG2 C 13 17.614 0.3 A 40 VAL N N 15 121.218 0.3 A 41 GLN H H 1 8.631 0.020 A 41 GLN HA H 1 5.385 0.020 A 41 GLN HBx H 1 1.804 0.020 A 41 GLN HBy H 1 1.995 0.020 A 41 GLN HE21 H 1 7.709 0.020 A 41 GLN HE22 H 1 6.796 0.020 A 41 GLN HGx H 1 2.103 0.020 A 41 GLN HGy H 1 2.386 0.020 A 41 GLN C C 13 177.321 0.3 A 41 GLN CA C 13 53.629 0.3 A 41 GLN CB C 13 32.487 0.3 A 41 GLN CG C 13 34.048 0.3 A 41 GLN N N 15 117.352 0.3 A 41 GLN NE2 N 15 111.315 0.3 A 42 SER H H 1 9.595 0.020 A 42 SER HA H 1 4.949 0.020 A 42 SER HBy H 1 4.669 0.020 A 42 SER HBx H 1 4.120 0.020 A 42 SER C C 13 175.947 0.3 A 42 SER CA C 13 57.378 0.3 A 42 SER CB C 13 65.619 0.3 A 42 SER N N 15 124.189 0.3 A 43 ASP H H 1 9.058 0.020 A 43 ASP HA H 1 4.504 0.020 A 43 ASP HB2 H 1 2.797 0.020 A 43 ASP HB3 H 1 2.797 0.020 A 43 ASP C C 13 177.356 0.3 A 43 ASP CA C 13 56.940 0.3 A 43 ASP CB C 13 40.084 0.3 A 43 ASP N N 15 122.563 0.3 A 44 GLN H H 1 7.903 0.020 A 44 GLN HA H 1 4.422 0.020 A 44 GLN HBx H 1 1.967 0.020 A 44 GLN HBy H 1 2.368 0.020 A 44 GLN HE21 H 1 7.658 0.020 A 44 GLN HE22 H 1 6.906 0.020 A 44 GLN HG2 H 1 2.490 0.020 A 44 GLN HG3 H 1 2.490 0.020 A 44 GLN C C 13 176.536 0.3 A 44 GLN CA C 13 56.292 0.3 A 44 GLN CB C 13 28.672 0.3 A 44 GLN CG C 13 34.444 0.3 A 44 GLN N N 15 115.707 0.3 A 44 GLN NE2 N 15 112.601 0.3 A 45 GLY H H 1 8.124 0.020 A 45 GLY HAx H 1 3.690 0.020 A 45 GLY HAy H 1 4.299 0.020 A 45 GLY C C 13 174.029 0.3 A 45 GLY CA C 13 45.344 0.3 A 45 GLY N N 15 107.709 0.3 A 46 ARG H H 1 7.411 0.020 A 46 ARG HA H 1 4.478 0.020 A 46 ARG HBy H 1 1.944 0.020 A 46 ARG HBx H 1 1.730 0.020 A 46 ARG HDx H 1 3.083 0.020 A 46 ARG HDy H 1 3.249 0.020 A 46 ARG HG2 H 1 1.505 0.020 A 46 ARG HG3 H 1 1.505 0.020 A 46 ARG C C 13 175.011 0.3 A 46 ARG CA C 13 56.202 0.3 A 46 ARG CB C 13 31.728 0.3 A 46 ARG CD C 13 43.310 0.3 A 46 ARG CG C 13 28.337 0.3 A 46 ARG N N 15 120.850 0.3 A 47 GLU H H 1 8.825 0.020 A 47 GLU HA H 1 5.611 0.020 A 47 GLU HB2 H 1 1.963 0.020 A 47 GLU HB3 H 1 1.963 0.020 A 47 GLU HGx H 1 1.962 0.020 A 47 GLU HGy H 1 2.199 0.020 A 47 GLU C C 13 176.201 0.3 A 47 GLU CA C 13 54.872 0.3 A 47 GLU CB C 13 31.884 0.3 A 47 GLU CG C 13 37.440 0.3 A 47 GLU N N 15 127.176 0.3 A 48 PHE H H 1 8.857 0.020 A 48 PHE HA H 1 5.002 0.020 A 48 PHE HBy H 1 3.195 0.020 A 48 PHE HBx H 1 3.131 0.020 A 48 PHE HD1 H 1 6.919 0.020 A 48 PHE HD2 H 1 6.919 0.020 A 48 PHE HE1 H 1 6.944 0.020 A 48 PHE HE2 H 1 6.944 0.020 A 48 PHE HZ H 1 6.794 0.020 A 48 PHE C C 13 172.551 0.3 A 48 PHE CA C 13 56.248 0.3 A 48 PHE CB C 13 39.954 0.3 A 48 PHE CD1 C 13 132.931 0.3 A 48 PHE CD2 C 13 132.931 0.3 A 48 PHE CE1 C 13 130.312 0.3 A 48 PHE CE2 C 13 130.312 0.3 A 48 PHE CZ C 13 128.654 0.3 A 48 PHE N N 15 122.333 0.3 A 49 THR H H 1 8.603 0.020 A 49 THR HA H 1 4.961 0.020 A 49 THR HB H 1 4.024 0.020 A 49 THR HG2% H 1 1.062 0.020 A 49 THR C C 13 173.255 0.3 A 49 THR CA C 13 62.159 0.3 A 49 THR CB C 13 69.488 0.3 A 49 THR CG2 C 13 22.149 0.3 A 49 THR N N 15 115.567 0.3 A 50 ALA H H 1 9.329 0.020 A 50 ALA HA H 1 4.771 0.020 A 50 ALA HB% H 1 1.180 0.020 A 50 ALA C C 13 176.154 0.3 A 50 ALA CA C 13 50.139 0.3 A 50 ALA CB C 13 22.368 0.3 A 50 ALA N N 15 130.832 0.3 A 51 ARG H H 1 8.460 0.020 A 51 ARG HA H 1 4.745 0.020 A 51 ARG HBy H 1 2.029 0.020 A 51 ARG HBx H 1 1.782 0.020 A 51 ARG HD2 H 1 3.249 0.020 A 51 ARG HD3 H 1 3.249 0.020 A 51 ARG HG2 H 1 1.657 0.020 A 51 ARG HG3 H 1 1.657 0.020 A 51 ARG C C 13 178.453 0.3 A 51 ARG CA C 13 55.301 0.3 A 51 ARG CB C 13 31.909 0.3 A 51 ARG CD C 13 43.407 0.3 A 51 ARG CG C 13 27.643 0.3 A 51 ARG N N 15 118.422 0.3 A 52 GLY H H 1 8.701 0.020 A 52 GLY HAx H 1 3.712 0.020 A 52 GLY HAy H 1 4.053 0.020 A 52 GLY C C 13 175.277 0.3 A 52 GLY CA C 13 48.020 0.3 A 52 GLY N N 15 109.027 0.3 A 53 ASN H H 1 8.307 0.020 A 53 ASN HA H 1 4.804 0.020 A 53 ASN HBx H 1 2.913 0.020 A 53 ASN HBy H 1 3.181 0.020 A 53 ASN HD21 H 1 7.616 0.020 A 53 ASN HD22 H 1 6.845 0.020 A 53 ASN C C 13 176.547 0.3 A 53 ASN CA C 13 54.033 0.3 A 53 ASN CB C 13 37.091 0.3 A 53 ASN N N 15 115.616 0.3 A 53 ASN ND2 N 15 111.085 0.3 A 54 GLN H H 1 8.203 0.020 A 54 GLN HA H 1 4.475 0.020 A 54 GLN HBx H 1 2.341 0.020 A 54 GLN HBy H 1 2.404 0.020 A 54 GLN HE21 H 1 7.549 0.020 A 54 GLN HE22 H 1 7.098 0.020 A 54 GLN HG2 H 1 2.424 0.020 A 54 GLN HG3 H 1 2.424 0.020 A 54 GLN C C 13 173.521 0.3 A 54 GLN CA C 13 55.636 0.3 A 54 GLN CB C 13 30.542 0.3 A 54 GLN CG C 13 34.946 0.3 A 54 GLN N N 15 118.019 0.3 A 54 GLN NE2 N 15 111.926 0.3 A 55 VAL H H 1 7.465 0.020 A 55 VAL HA H 1 5.119 0.020 A 55 VAL HB H 1 2.053 0.020 A 55 VAL HG1% H 1 0.816 0.020 A 55 VAL HG2% H 1 0.816 0.020 A 55 VAL C C 13 174.907 0.3 A 55 VAL CA C 13 61.085 0.3 A 55 VAL CB C 13 34.163 0.3 A 55 VAL CG1 C 13 22.081 0.3 A 55 VAL CG2 C 13 21.452 0.3 A 55 VAL N N 15 116.483 0.3 A 56 ARG H H 1 9.243 0.020 A 56 ARG HA H 1 4.720 0.020 A 56 ARG HBx H 1 1.366 0.020 A 56 ARG HBy H 1 1.713 0.020 A 56 ARG HDx H 1 2.464 0.020 A 56 ARG HDy H 1 2.775 0.020 A 56 ARG HGx H 1 1.399 0.020 A 56 ARG HGy H 1 1.520 0.020 A 56 ARG CA C 13 54.091 0.3 A 56 ARG CB C 13 34.183 0.3 A 56 ARG CD C 13 43.262 0.3 A 56 ARG CG C 13 26.850 0.3 A 56 ARG N N 15 124.294 0.3 A 57 LEU H H 1 8.514 0.020 A 57 LEU HA H 1 4.467 0.020 A 57 LEU HB2 H 1 1.591 0.020 A 57 LEU HB3 H 1 1.591 0.020 A 57 LEU HDx% H 1 0.949 0.020 A 57 LEU HDy% H 1 0.892 0.020 A 57 LEU HG H 1 1.662 0.020 A 57 LEU CA C 13 55.404 0.3 A 57 LEU CB C 13 42.268 0.3 A 57 LEU CD1 C 13 25.016 0.3 A 57 LEU CD2 C 13 23.531 0.3 A 57 LEU CG C 13 27.073 0.3 A 57 LEU N N 15 121.708 0.3 A 58 ILE H H 1 8.440 0.020 A 58 ILE HA H 1 4.025 0.020 A 58 ILE HB H 1 1.808 0.020 A 58 ILE HD1% H 1 0.806 0.020 A 58 ILE HG1x H 1 1.062 0.020 A 58 ILE HG1y H 1 1.482 0.020 A 58 ILE HG2% H 1 0.885 0.020 A 58 ILE C C 13 175.069 0.3 A 58 ILE CA C 13 61.791 0.3 A 58 ILE CB C 13 38.309 0.3 A 58 ILE CD1 C 13 13.385 0.3 A 58 ILE CG1 C 13 28.052 0.3 A 58 ILE CG2 C 13 17.595 0.3 A 58 ILE N N 15 121.780 0.3 A 59 GLU H H 1 7.885 0.020 A 59 GLU HA H 1 4.135 0.020 A 59 GLU HBx H 1 1.868 0.020 A 59 GLU HBy H 1 2.009 0.020 A 59 GLU HG2 H 1 2.145 0.020 A 59 GLU HG3 H 1 2.145 0.020 A 59 GLU C C 13 180.890 0.3 A 59 GLU CA C 13 57.935 0.3 A 59 GLU CB C 13 31.340 0.3 A 59 GLU CG C 13 36.745 0.3 A 59 GLU N N 15 129.752 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 29 VAL H A 30 ILE H 1.0 0.0 5.05 2 2 A 30 ILE H A 31 ARG H 1.0 0.0 2.87 3 3 A 30 ILE H A 39 VAL HB 1.0 0.0 4.67 4 4 A 30 ILE H A 29 VAL HGx% 1.0 0.0 4.52 5 5 A 30 ILE H A 30 ILE HD1% 1.0 0.0 4.80 6 6 A 42 SER H A 46 ARG H 1.0 0.0 3.80 7 7 A 42 SER H A 41 GLN HBy 1.0 0.0 4.41 8 8 A 16 VAL H A 24 TRP HE3 1.0 0.0 3.96 9 9 A 16 VAL H A 24 TRP HZ3 1.0 0.0 4.88 10 10 A 16 VAL H A 25 VAL HGy% 1.0 0.0 4.42 11 11 A 16 VAL H A 27 ALA HB% 1.0 0.0 5.29 12 12 A 18 GLU H A 25 VAL H 1.0 0.0 4.58 13 13 A 25 VAL H A 24 TRP H 1.0 0.0 4.68 14 14 A 24 TRP HE3 A 25 VAL H 1.0 0.0 4.25 15 15 A 25 VAL H A 16 VAL HB 1.0 0.0 5.28 16 16 A 50 ALA H A 51 ARG H 1.0 0.0 4.71 17 17 A 50 ALA H A 38 VAL H 1.0 0.0 3.71 18 18 A 26 ARG H A 27 ALA H 1.0 0.0 4.57 19 19 A 50 ALA H A 48 PHE HD% 1.0 0.0 4.96 20 20 A 25 VAL HGy% A 27 ALA H 1.0 0.0 5.50 21 21 A 50 ALA H A 49 THR HG2% 1.0 0.0 3.55 22 22 A 11 GLY H A 12 ASP H 1.0 0.0 3.29 23 23 A 11 GLY H A 10 PRO HBy 1.0 0.0 4.01 24 24 A 55 VAL H A 56 ARG H 1.0 0.0 4.78 25 25 A 24 TRP HE3 A 56 ARG H 1.0 0.0 4.54 26 26 A 56 ARG H A 24 TRP HH2 1.0 0.0 4.90 27 27 A 56 ARG H A 56 ARG HGx 1.0 0.0 4.47 28 28 A 24 TRP HZ3 A 56 ARG H 1.0 0.0 3.90 29 29 A 29 VAL H A 11 GLY H 1.0 0.0 4.44 30 30 A 29 VAL H A 12 ASP H 1.0 0.0 4.05 31 31 A 29 VAL H A 12 ASP HBx 1.0 0.0 5.11 32 32 A 27 ALA HB% A 43 ASP H 1.0 0.0 5.11 33 33 A 30 ILE H A 39 VAL H 1.0 0.0 4.96 34 34 A 31 ARG H A 39 VAL H 1.0 0.0 3.50 35 35 A 39 VAL H A 33 LYS HG2 1.0 0.0 5.50 36 35 A 39 VAL H A 33 LYS HG3 1.0 0.0 5.50 37 36 A 49 THR HG2% A 39 VAL H 1.0 0.0 5.22 38 37 A 39 VAL H A 39 VAL HGx% 1.0 0.0 3.36 39 38 A 39 VAL H A 39 VAL HGy% 1.0 0.0 3.70 40 39 A 39 VAL H A 40 VAL HGy% 1.0 0.0 5.50 41 40 A 14 VAL HGy% A 15 LYS H 1.0 0.0 4.06 42 41 A 30 ILE H A 40 VAL H 1.0 0.0 5.31 43 42 A 40 VAL H A 41 GLN H 1.0 0.0 5.11 44 43 A 48 PHE HD% A 40 VAL H 1.0 0.0 5.13 45 44 A 38 VAL H A 37 ARG H 1.0 0.0 4.59 46 45 A 31 ARG H A 32 VAL H 1.0 0.0 4.41 47 46 A 32 VAL H A 32 VAL HGx% 1.0 0.0 4.21 48 47 A 12 ASP H A 9 GLN H 1.0 0.0 4.69 49 48 A 29 VAL HGx% A 9 GLN H 1.0 0.0 4.30 50 49 A 12 ASP HBx A 9 GLN H 1.0 0.0 4.28 51 50 A 42 SER H A 48 PHE H 1.0 0.0 5.10 52 51 A 48 PHE HD% A 48 PHE H 1.0 0.0 3.58 53 52 A 46 ARG H A 47 GLU H 1.0 0.0 4.70 54 53 A 47 GLU H A 41 GLN HGx 1.0 0.0 5.08 55 54 A 47 GLU H A 46 ARG HBx 1.0 0.0 4.92 56 55 A 29 VAL H A 14 VAL H 1.0 0.0 5.29 57 56 A 27 ALA H A 14 VAL H 1.0 0.0 3.58 58 57 A 14 VAL HGy% A 14 VAL H 1.0 0.0 3.24 59 58 A 25 VAL H A 26 ARG H 1.0 0.0 4.60 60 59 A 39 VAL H A 33 LYS H 1.0 0.0 4.84 61 60 A 51 ARG H A 52 GLY H 1.0 0.0 4.61 62 61 A 52 GLY H A 53 ASN H 1.0 0.0 4.62 63 62 A 42 SER H A 41 GLN H 1.0 0.0 4.61 64 63 A 41 GLN H A 41 GLN HGx 1.0 0.0 4.85 65 64 A 48 PHE HD% A 49 THR H 1.0 0.0 3.79 66 65 A 49 THR H A 48 PHE HBy 1.0 0.0 3.92 67 66 A 18 GLU H A 19 SER H 1.0 0.0 3.17 68 67 A 56 ARG H A 57 LEU H 1.0 0.0 4.74 69 68 A 57 LEU H A 56 ARG HGy 1.0 0.0 4.96 70 69 A 14 VAL H A 13 VAL H 1.0 0.0 5.04 71 70 A 51 ARG H A 54 GLN HBy 1.0 0.0 3.55 72 71 A 51 ARG H A 54 GLN H 1.0 0.0 4.87 73 72 A 51 ARG H A 54 GLN HE21 1.0 0.0 5.31 74 73 A 58 ILE H A 58 ILE HD1% 1.0 0.0 4.38 75 74 A 58 ILE H A 57 LEU HDx% 1.0 0.0 4.42 76 75 A 4 MET H A 4 MET HBy 1.0 0.0 4.14 77 76 A 24 TRP H A 24 TRP HBx 1.0 0.0 3.64 78 77 A 24 TRP H A 24 TRP HE1 1.0 0.0 5.24 79 78 A 24 TRP H A 24 TRP HD1 1.0 0.0 3.06 80 79 A 18 GLU H A 17 LEU H 1.0 0.0 4.75 81 80 A 54 GLN HE21 A 17 LEU H 1.0 0.0 5.38 82 81 A 24 TRP HE3 A 17 LEU H 1.0 0.0 4.07 83 82 A 24 TRP HH2 A 17 LEU H 1.0 0.0 4.53 84 83 A 24 TRP HZ3 A 17 LEU H 1.0 0.0 3.88 85 84 A 54 GLN H A 54 GLN HBx 1.0 0.0 3.55 86 85 A 17 LEU H A 17 LEU HDx% 1.0 0.0 4.65 87 86 A 17 LEU H A 17 LEU HDy% 1.0 0.0 4.92 88 87 A 27 ALA H A 28 ARG H 1.0 0.0 4.68 89 88 A 41 GLN H A 28 ARG H 1.0 0.0 3.48 90 89 A 28 ARG H A 40 VAL HB 1.0 0.0 3.49 91 90 A 27 ALA HB% A 28 ARG H 1.0 0.0 3.19 92 91 A 29 VAL H A 28 ARG H 1.0 0.0 4.57 93 92 A 6 LEU H A 7 ASP H 1.0 0.0 4.00 94 93 A 46 ARG H A 45 GLY H 1.0 0.0 3.23 95 94 A 45 GLY H A 43 ASP HA 1.0 0.0 4.76 96 95 A 12 ASP H A 13 VAL H 1.0 0.0 4.55 97 96 A 19 SER HBy A 21 ALA H 1.0 0.0 4.81 98 97 A 44 GLN H A 44 GLN HE21 1.0 0.0 4.57 99 98 A 58 ILE HD1% A 59 GLU H 1.0 0.0 5.06 100 99 A 24 TRP H A 23 GLY H 1.0 0.0 4.53 101 100 A 44 GLN HE21 A 43 ASP HB2 1.0 0.0 4.86 102 100 A 44 GLN HE21 A 43 ASP HB3 1.0 0.0 4.86 103 101 A 9 GLN H A 8 LEU H 1.0 0.0 4.63 104 102 A 7 ASP H A 8 LEU H 1.0 0.0 3.81 105 103 A 8 LEU H A 7 ASP HBx 1.0 0.0 4.74 106 104 A 8 LEU H A 6 LEU HBx 1.0 0.0 4.76 107 105 A 54 GLN HE21 A 54 GLN HBx 1.0 0.0 4.62 108 106 A 54 GLN HE21 A 17 LEU HDx% 1.0 0.0 5.43 109 107 A 24 TRP HZ3 A 55 VAL H 1.0 0.0 4.22 110 108 A 55 VAL H A 54 GLN H 1.0 0.0 3.00 111 109 A 55 VAL H A 54 GLN HBy 1.0 0.0 4.31 112 110 A 46 ARG H A 44 GLN HE21 1.0 0.0 4.70 113 111 A 46 ARG H A 41 GLN HGy 1.0 0.0 5.29 114 112 A 19 SER H A 18 GLU HGx 1.0 0.0 4.59 115 113 A 19 SER H A 17 LEU HDx% 1.0 0.0 4.59 116 114 A 24 TRP HE3 A 15 LYS HDx 1.0 0.0 5.31 117 115 A 24 TRP HE3 A 15 LYS HGx 1.0 0.0 5.50 118 116 A 24 TRP HE3 A 15 LYS HBx 1.0 0.0 4.08 119 117 A 24 TRP HH2 A 16 VAL HA 1.0 0.0 5.41 120 118 A 24 TRP HH2 A 54 GLN HG2 1.0 0.0 5.50 121 118 A 24 TRP HH2 A 54 GLN HG3 1.0 0.0 5.50 122 119 A 42 SER H A 48 PHE HE% 1.0 0.0 4.24 123 120 A 46 ARG H A 48 PHE HE% 1.0 0.0 5.20 124 121 A 48 PHE HE% A 16 VAL HGx% 1.0 0.0 3.95 125 122 A 48 PHE HZ A 18 GLU HB2 1.0 0.0 4.51 126 122 A 18 GLU HB3 A 48 PHE HZ 1.0 0.0 4.51 127 123 A 48 PHE HZ A 16 VAL HGx% 1.0 0.0 4.10 128 124 A 37 ARG H A 34 SER HA 1.0 0.0 5.16 129 125 A 42 SER H A 47 GLU HA 1.0 0.0 3.82 130 126 A 41 GLN H A 47 GLU HA 1.0 0.0 5.16 131 127 A 30 ILE HD1% A 47 GLU HA 1.0 0.0 5.50 132 128 A 56 ARG H A 16 VAL HA 1.0 0.0 4.02 133 129 A 24 TRP HZ3 A 16 VAL HA 1.0 0.0 3.51 134 130 A 16 VAL HA A 16 VAL HGx% 1.0 0.0 3.66 135 131 A 24 TRP HE3 A 16 VAL HA 1.0 0.0 3.58 136 132 A 16 VAL HA A 54 GLN HG2 1.0 0.0 5.25 137 132 A 16 VAL HA A 54 GLN HG3 1.0 0.0 5.25 138 133 A 16 VAL HA A 16 VAL HGy% 1.0 0.0 3.74 139 134 A 16 VAL HA A 55 VAL HG1% 1.0 0.0 4.60 140 134 A 16 VAL HA A 55 VAL HG2% 1.0 0.0 4.60 141 135 A 27 ALA HB% A 15 LYS HA 1.0 0.0 4.89 142 136 A 25 VAL H A 15 LYS HA 1.0 0.0 4.39 143 137 A 27 ALA H A 15 LYS HA 1.0 0.0 3.65 144 138 A 26 ARG H A 15 LYS HA 1.0 0.0 5.06 145 139 A 15 LYS HDx A 15 LYS HA 1.0 0.0 4.77 146 140 A 48 PHE H A 41 GLN HA 1.0 0.0 3.84 147 141 A 47 GLU H A 41 GLN HA 1.0 0.0 5.17 148 142 A 46 ARG H A 41 GLN HA 1.0 0.0 5.06 149 143 A 41 GLN HA A 42 SER HBx 1.0 0.0 4.73 150 144 A 48 PHE HD% A 41 GLN HA 1.0 0.0 4.71 151 145 A 30 ILE HD1% A 41 GLN HA 1.0 0.0 5.29 152 146 A 29 VAL H A 28 ARG HA 1.0 0.0 2.67 153 147 A 14 VAL H A 28 ARG HA 1.0 0.0 3.78 154 148 A 12 ASP H A 28 ARG HA 1.0 0.0 5.13 155 149 A 28 ARG HA A 28 ARG HG2 1.0 0.0 3.48 156 149 A 28 ARG HA A 28 ARG HG3 1.0 0.0 3.48 157 150 A 27 ALA HB% A 28 ARG HA 1.0 0.0 4.32 158 151 A 29 VAL H A 40 VAL HA 1.0 0.0 5.05 159 152 A 41 GLN HA A 40 VAL HA 1.0 0.0 4.95 160 153 A 27 ALA HB% A 40 VAL HA 1.0 0.0 4.40 161 154 A 39 VAL HGy% A 40 VAL HA 1.0 0.0 4.59 162 155 A 30 ILE HD1% A 40 VAL HA 1.0 0.0 5.29 163 156 A 40 VAL HA A 40 VAL HGx% 1.0 0.0 3.28 164 157 A 56 ARG HGx A 55 VAL HA 1.0 0.0 4.85 165 158 A 56 ARG H A 55 VAL HA 1.0 0.0 2.79 166 159 A 17 LEU H A 55 VAL HA 1.0 0.0 3.99 167 160 A 24 TRP HE3 A 55 VAL HA 1.0 0.0 4.29 168 161 A 24 TRP HH2 A 55 VAL HA 1.0 0.0 4.54 169 162 A 24 TRP HZ3 A 55 VAL HA 1.0 0.0 3.65 170 163 A 55 VAL HA A 14 VAL HB 1.0 0.0 5.07 171 164 A 16 VAL HB A 55 VAL HA 1.0 0.0 5.14 172 165 A 55 VAL HA A 50 ALA HB% 1.0 0.0 5.35 173 166 A 55 VAL HA A 16 VAL HGy% 1.0 0.0 4.61 174 167 A 55 VAL HA A 55 VAL HG1% 1.0 0.0 3.11 175 167 A 55 VAL HG2% A 55 VAL HA 1.0 0.0 3.11 176 168 A 49 THR H A 48 PHE HA 1.0 0.0 2.91 177 169 A 48 PHE HD% A 48 PHE HA 1.0 0.0 3.82 178 170 A 47 GLU HA A 48 PHE HA 1.0 0.0 4.94 179 171 A 56 ARG H A 14 VAL HA 1.0 0.0 5.46 180 172 A 15 LYS H A 14 VAL HA 1.0 0.0 3.03 181 173 A 15 LYS HA A 14 VAL HA 1.0 0.0 5.11 182 174 A 58 ILE HD1% A 14 VAL HA 1.0 0.0 3.83 183 175 A 14 VAL HGy% A 14 VAL HA 1.0 0.0 3.92 184 176 A 40 VAL HGx% A 49 THR HA 1.0 0.0 5.50 185 177 A 50 ALA H A 49 THR HA 1.0 0.0 2.70 186 178 A 50 ALA HB% A 49 THR HA 1.0 0.0 4.37 187 179 A 49 THR HG2% A 49 THR HA 1.0 0.0 3.33 188 180 A 40 VAL HGy% A 49 THR HA 1.0 0.0 4.68 189 181 A 43 ASP H A 42 SER HA 1.0 0.0 3.03 190 182 A 48 PHE HE% A 42 SER HA 1.0 0.0 4.55 191 183 A 42 SER HA A 43 ASP HB2 1.0 0.0 5.00 192 183 A 43 ASP HB3 A 42 SER HA 1.0 0.0 5.00 193 184 A 25 VAL HGy% A 42 SER HA 1.0 0.0 4.90 194 185 A 27 ALA HB% A 42 SER HA 1.0 0.0 3.20 195 186 A 42 SER HA A 27 ALA HA 1.0 0.0 2.50 196 187 A 42 SER H A 27 ALA HA 1.0 0.0 5.23 197 188 A 43 ASP H A 27 ALA HA 1.0 0.0 4.18 198 189 A 28 ARG H A 27 ALA HA 1.0 0.0 2.97 199 190 A 28 ARG HA A 27 ALA HA 1.0 0.0 5.16 200 191 A 40 VAL HB A 27 ALA HA 1.0 0.0 4.68 201 192 A 25 VAL HGy% A 27 ALA HA 1.0 0.0 5.10 202 193 A 40 VAL HGy% A 27 ALA HA 1.0 0.0 5.50 203 194 A 27 ALA H A 26 ARG HA 1.0 0.0 2.61 204 195 A 26 ARG HA A 26 ARG HD2 1.0 0.0 4.38 205 195 A 26 ARG HA A 26 ARG HD3 1.0 0.0 4.38 206 196 A 26 ARG HA A 26 ARG HG2 1.0 0.0 3.52 207 196 A 26 ARG HA A 26 ARG HG3 1.0 0.0 3.52 208 197 A 25 VAL HA A 43 ASP HB2 1.0 0.0 5.50 209 197 A 43 ASP HB3 A 25 VAL HA 1.0 0.0 5.50 210 198 A 26 ARG H A 25 VAL HA 1.0 0.0 2.62 211 199 A 37 ARG HA A 38 VAL HG1% 1.0 0.0 4.76 212 199 A 37 ARG HA A 38 VAL HG2% 1.0 0.0 4.76 213 200 A 38 VAL H A 37 ARG HA 1.0 0.0 3.11 214 201 A 51 ARG H A 50 ALA HA 1.0 0.0 2.61 215 202 A 53 ASN HA A 53 ASN HD21 1.0 0.0 3.05 216 203 A 48 PHE HD% A 50 ALA HA 1.0 0.0 3.62 217 204 A 53 ASN HA A 52 GLY HAy 1.0 0.0 4.54 218 205 A 37 ARG HA A 37 ARG HDx 1.0 0.0 3.83 219 206 A 37 ARG HA A 33 LYS HBx 1.0 0.0 4.15 220 207 A 37 ARG HA A 37 ARG HG2 1.0 0.0 3.81 221 207 A 37 ARG HA A 37 ARG HG3 1.0 0.0 3.81 222 208 A 40 VAL HGy% A 50 ALA HA 1.0 0.0 5.31 223 209 A 52 GLY H A 51 ARG HA 1.0 0.0 2.77 224 210 A 25 VAL H A 24 TRP HA 1.0 0.0 2.80 225 211 A 9 GLN HA A 9 GLN HE21 1.0 0.0 4.72 226 212 A 24 TRP HE3 A 24 TRP HA 1.0 0.0 3.65 227 213 A 25 VAL HGy% A 24 TRP HA 1.0 0.0 4.90 228 214 A 8 LEU H A 7 ASP HA 1.0 0.0 2.73 229 215 A 57 LEU H A 56 ARG HA 1.0 0.0 2.70 230 216 A 33 LYS HA A 34 SER H 1.0 0.0 3.52 231 217 A 9 GLN HA A 10 PRO HDx 1.0 0.0 2.99 232 218 A 56 ARG HGy A 56 ARG HA 1.0 0.0 3.62 233 219 A 33 LYS HA A 33 LYS HG2 1.0 0.0 3.65 234 219 A 33 LYS HG3 A 33 LYS HA 1.0 0.0 3.65 235 220 A 57 LEU HDx% A 56 ARG HA 1.0 0.0 5.50 236 221 A 13 VAL HA A 14 VAL HGx% 1.0 0.0 4.57 237 222 A 29 VAL H A 13 VAL HA 1.0 0.0 4.02 238 223 A 14 VAL H A 13 VAL HA 1.0 0.0 2.69 239 224 A 13 VAL HA A 13 VAL HG1% 1.0 0.0 3.35 240 224 A 13 VAL HA A 13 VAL HG2% 1.0 0.0 3.35 241 225 A 14 VAL HGy% A 13 VAL HA 1.0 0.0 4.21 242 226 A 42 SER H A 42 SER HBy 1.0 0.0 3.86 243 227 A 44 GLN H A 42 SER HBy 1.0 0.0 4.88 244 228 A 46 ARG H A 42 SER HBy 1.0 0.0 5.38 245 229 A 48 PHE HE% A 42 SER HBy 1.0 0.0 4.38 246 230 A 48 PHE HZ A 42 SER HBy 1.0 0.0 5.30 247 231 A 25 VAL HGy% A 42 SER HBy 1.0 0.0 4.29 248 232 A 39 VAL H A 38 VAL HA 1.0 0.0 2.76 249 233 A 33 LYS H A 38 VAL HA 1.0 0.0 3.51 250 234 A 38 VAL HA A 32 VAL HA 1.0 0.0 3.34 251 235 A 32 VAL HGx% A 38 VAL HA 1.0 0.0 4.58 252 236 A 38 VAL HA A 38 VAL HG1% 1.0 0.0 3.19 253 236 A 38 VAL HG2% A 38 VAL HA 1.0 0.0 3.19 254 237 A 13 VAL H A 12 ASP HA 1.0 0.0 2.63 255 238 A 12 ASP HA A 13 VAL HB 1.0 0.0 4.85 256 239 A 39 VAL HGx% A 38 VAL HA 1.0 0.0 4.28 257 240 A 14 VAL HGx% A 12 ASP HA 1.0 0.0 5.50 258 241 A 30 ILE H A 31 ARG HA 1.0 0.0 5.37 259 242 A 32 VAL H A 31 ARG HA 1.0 0.0 2.70 260 243 A 31 ARG HA A 31 ARG HDx 1.0 0.0 5.50 261 244 A 10 PRO HBy A 31 ARG HA 1.0 0.0 4.35 262 245 A 9 GLN H A 8 LEU HA 1.0 0.0 2.67 263 246 A 8 LEU HA A 8 LEU HD1% 1.0 0.0 2.97 264 246 A 8 LEU HA A 8 LEU HD2% 1.0 0.0 2.97 265 247 A 43 ASP HA A 43 ASP HB2 1.0 0.0 2.85 266 247 A 43 ASP HA A 43 ASP HB3 1.0 0.0 2.85 267 248 A 47 GLU H A 46 ARG HA 1.0 0.0 2.71 268 249 A 24 TRP HH2 A 54 GLN HA 1.0 0.0 3.86 269 250 A 24 TRP HZ3 A 54 GLN HA 1.0 0.0 4.68 270 251 A 48 PHE HD% A 46 ARG HA 1.0 0.0 5.30 271 252 A 47 GLU HA A 46 ARG HA 1.0 0.0 5.12 272 253 A 15 LYS HEy A 57 LEU HA 1.0 0.0 5.17 273 254 A 54 GLN HA A 54 GLN HG2 1.0 0.0 3.17 274 254 A 54 GLN HG3 A 54 GLN HA 1.0 0.0 3.17 275 255 A 57 LEU HA A 57 LEU HG 1.0 0.0 3.54 276 256 A 57 LEU HA A 57 LEU HB2 1.0 0.0 3.00 277 256 A 57 LEU HA A 57 LEU HB3 1.0 0.0 3.00 278 257 A 14 VAL HGx% A 57 LEU HA 1.0 0.0 3.51 279 258 A 17 LEU HDx% A 54 GLN HA 1.0 0.0 4.85 280 259 A 50 ALA H A 39 VAL HA 1.0 0.0 3.78 281 260 A 40 VAL H A 39 VAL HA 1.0 0.0 2.81 282 261 A 58 ILE H A 57 LEU HA 1.0 0.0 2.75 283 262 A 40 VAL HA A 39 VAL HA 1.0 0.0 4.94 284 263 A 49 THR HG2% A 39 VAL HA 1.0 0.0 4.14 285 264 A 57 LEU HDx% A 57 LEU HA 1.0 0.0 4.05 286 265 A 39 VAL HGx% A 39 VAL HA 1.0 0.0 2.94 287 266 A 40 VAL HGx% A 39 VAL HA 1.0 0.0 5.11 288 267 A 4 MET HA A 5 GLU H 1.0 0.0 3.23 289 268 A 4 MET HA A 4 MET HGy 1.0 0.0 4.02 290 269 A 33 LYS H A 32 VAL HA 1.0 0.0 2.71 291 270 A 44 GLN HA A 44 GLN HG2 1.0 0.0 3.74 292 270 A 44 GLN HA A 44 GLN HG3 1.0 0.0 3.74 293 271 A 32 VAL HGx% A 32 VAL HA 1.0 0.0 3.42 294 272 A 32 VAL HA A 38 VAL HG1% 1.0 0.0 3.41 295 272 A 38 VAL HG2% A 32 VAL HA 1.0 0.0 3.41 296 273 A 17 LEU HDx% A 19 SER HA 1.0 0.0 4.88 297 274 A 19 SER HA A 21 ALA HB% 1.0 0.0 5.50 298 275 A 7 ASP H A 6 LEU HA 1.0 0.0 2.80 299 276 A 8 LEU H A 6 LEU HA 1.0 0.0 5.25 300 277 A 6 LEU HA A 8 LEU HBy 1.0 0.0 4.81 301 278 A 6 LEU HA A 6 LEU HG 1.0 0.0 3.09 302 279 A 6 LEU H A 5 GLU HA 1.0 0.0 2.77 303 280 A 4 MET H A 3 ALA HA 1.0 0.0 3.39 304 281 A 10 PRO HBy A 30 ILE HA 1.0 0.0 4.45 305 282 A 30 ILE HA A 31 ARG HBy 1.0 0.0 4.74 306 283 A 21 ALA HB% A 22 LEU HA 1.0 0.0 4.66 307 284 A 22 LEU HA A 22 LEU HDy% 1.0 0.0 3.01 308 285 A 22 LEU HA A 22 LEU HDx% 1.0 0.0 4.47 309 286 A 42 SER H A 42 SER HBx 1.0 0.0 3.32 310 287 A 43 ASP H A 42 SER HBx 1.0 0.0 3.85 311 288 A 24 TRP H A 23 GLY HAy 1.0 0.0 2.96 312 289 A 24 TRP HD1 A 23 GLY HAy 1.0 0.0 4.22 313 290 A 48 PHE HE% A 42 SER HBx 1.0 0.0 3.65 314 291 A 48 PHE HZ A 42 SER HBx 1.0 0.0 4.56 315 292 A 17 LEU HDy% A 23 GLY HAy 1.0 0.0 4.37 316 293 A 52 GLY HAy A 55 VAL HB 1.0 0.0 5.13 317 294 A 50 ALA H A 49 THR HB 1.0 0.0 4.21 318 295 A 49 THR H A 49 THR HB 1.0 0.0 3.09 319 296 A 48 PHE HD% A 49 THR HB 1.0 0.0 5.12 320 297 A 57 LEU HA A 58 ILE HA 1.0 0.0 5.15 321 298 A 34 SER H A 34 SER HB2 1.0 0.0 3.70 322 298 A 34 SER H A 34 SER HB3 1.0 0.0 3.70 323 299 A 34 SER HA A 34 SER HB2 1.0 0.0 2.50 324 299 A 34 SER HA A 34 SER HB3 1.0 0.0 2.50 325 300 A 19 SER HBy A 21 ALA HB% 1.0 0.0 4.73 326 301 A 21 ALA H A 19 SER HBx 1.0 0.0 5.25 327 302 A 37 ARG H A 35 GLY HAx 1.0 0.0 5.50 328 303 A 19 SER HA A 19 SER HBx 1.0 0.0 2.93 329 304 A 22 LEU HDx% A 19 SER HBx 1.0 0.0 4.63 330 305 A 19 SER H A 19 SER HBx 1.0 0.0 4.06 331 306 A 19 SER HBx A 18 GLU HGy 1.0 0.0 4.89 332 307 A 24 TRP H A 17 LEU HA 1.0 0.0 4.89 333 308 A 24 TRP HZ3 A 17 LEU HA 1.0 0.0 5.38 334 309 A 16 VAL HA A 17 LEU HA 1.0 0.0 5.19 335 310 A 24 TRP HBx A 17 LEU HA 1.0 0.0 5.15 336 311 A 17 LEU HDx% A 17 LEU HA 1.0 0.0 4.11 337 312 A 32 VAL HGx% A 10 PRO HA 1.0 0.0 4.96 338 313 A 30 ILE H A 10 PRO HA 1.0 0.0 5.37 339 314 A 29 VAL H A 10 PRO HA 1.0 0.0 5.50 340 315 A 9 GLN H A 10 PRO HA 1.0 0.0 5.44 341 316 A 10 PRO HA A 29 VAL HB 1.0 0.0 3.37 342 317 A 32 VAL H A 10 PRO HDy 1.0 0.0 5.50 343 318 A 48 PHE HE% A 18 GLU HA 1.0 0.0 3.90 344 319 A 48 PHE HZ A 18 GLU HA 1.0 0.0 4.16 345 320 A 54 GLN H A 52 GLY HAx 1.0 0.0 4.44 346 321 A 55 VAL H A 52 GLY HAx 1.0 0.0 4.87 347 322 A 31 ARG H A 29 VAL HA 1.0 0.0 3.68 348 323 A 28 ARG HA A 29 VAL HA 1.0 0.0 4.90 349 324 A 29 VAL HGx% A 29 VAL HA 1.0 0.0 3.25 350 325 A 40 VAL HGy% A 29 VAL HA 1.0 0.0 5.27 351 326 A 44 GLN H A 45 GLY HAx 1.0 0.0 5.16 352 327 A 9 GLN H A 10 PRO HDx 1.0 0.0 5.42 353 328 A 24 TRP H A 23 GLY HAx 1.0 0.0 3.21 354 329 A 23 GLY HAx A 22 LEU H 1.0 0.0 5.20 355 330 A 24 TRP HD1 A 23 GLY HAx 1.0 0.0 4.31 356 331 A 11 GLY HAx A 28 ARG HB2 1.0 0.0 5.08 357 331 A 11 GLY HAx A 28 ARG HB3 1.0 0.0 5.08 358 332 A 11 GLY HAx A 28 ARG HD2 1.0 0.0 3.46 359 332 A 11 GLY HAx A 28 ARG HD3 1.0 0.0 3.46 360 333 A 49 THR HB A 37 ARG HDy 1.0 0.0 5.26 361 334 A 27 ALA H A 26 ARG HD2 1.0 0.0 4.76 362 334 A 27 ALA H A 26 ARG HD3 1.0 0.0 4.76 363 335 A 52 GLY H A 51 ARG HD2 1.0 0.0 4.50 364 335 A 52 GLY H A 51 ARG HD3 1.0 0.0 4.50 365 336 A 37 ARG H A 37 ARG HDy 1.0 0.0 5.08 366 337 A 33 LYS H A 31 ARG HDy 1.0 0.0 5.50 367 338 A 28 ARG HA A 28 ARG HD2 1.0 0.0 4.57 368 338 A 28 ARG HA A 28 ARG HD3 1.0 0.0 4.57 369 339 A 28 ARG HB3 A 28 ARG HD2 1.0 0.0 3.18 370 339 A 28 ARG HB2 A 28 ARG HD2 1.0 0.0 3.18 371 339 A 28 ARG HD3 A 28 ARG HB2 1.0 0.0 3.18 372 339 A 28 ARG HB3 A 28 ARG HD3 1.0 0.0 3.18 373 340 A 54 GLN H A 53 ASN HBy 1.0 0.0 5.33 374 341 A 39 VAL HGy% A 31 ARG HDx 1.0 0.0 5.10 375 342 A 49 THR H A 48 PHE HBx 1.0 0.0 3.13 376 343 A 24 TRP H A 24 TRP HBy 1.0 0.0 3.12 377 344 A 24 TRP HD1 A 24 TRP HBy 1.0 0.0 3.28 378 345 A 46 ARG H A 46 ARG HDx 1.0 0.0 5.50 379 346 A 37 ARG H A 37 ARG HDx 1.0 0.0 5.21 380 347 A 37 ARG HDx A 37 ARG HBx 1.0 0.0 4.01 381 348 A 49 THR HG2% A 37 ARG HDx 1.0 0.0 4.07 382 349 A 25 VAL H A 24 TRP HBx 1.0 0.0 3.91 383 350 A 54 GLN H A 53 ASN HBx 1.0 0.0 4.76 384 351 A 24 TRP HBx A 24 TRP HD1 1.0 0.0 3.87 385 352 A 24 TRP HE3 A 24 TRP HBx 1.0 0.0 3.34 386 353 A 24 TRP HBx A 15 LYS HA 1.0 0.0 5.20 387 354 A 31 ARG HGx A 33 LYS HE2 1.0 0.0 4.55 388 354 A 31 ARG HGx A 33 LYS HE3 1.0 0.0 4.55 389 355 A 43 ASP H A 43 ASP HB2 1.0 0.0 3.08 390 355 A 43 ASP H A 43 ASP HB3 1.0 0.0 3.08 391 356 A 44 GLN H A 43 ASP HB2 1.0 0.0 4.58 392 356 A 44 GLN H A 43 ASP HB3 1.0 0.0 4.58 393 357 A 44 GLN HE22 A 43 ASP HB2 1.0 0.0 5.04 394 357 A 43 ASP HB3 A 44 GLN HE22 1.0 0.0 5.04 395 358 A 7 ASP H A 7 ASP HBy 1.0 0.0 3.49 396 359 A 8 LEU H A 7 ASP HBy 1.0 0.0 4.27 397 360 A 24 TRP HH2 A 56 ARG HDy 1.0 0.0 5.37 398 361 A 24 TRP HZ3 A 56 ARG HDy 1.0 0.0 5.50 399 362 A 11 GLY H A 12 ASP HBy 1.0 0.0 5.36 400 363 A 29 VAL H A 12 ASP HBy 1.0 0.0 4.55 401 364 A 13 VAL H A 12 ASP HBy 1.0 0.0 4.29 402 365 A 12 ASP H A 12 ASP HBy 1.0 0.0 3.08 403 366 A 15 LYS HEy A 58 ILE HG2% 1.0 0.0 3.78 404 367 A 14 VAL HGx% A 12 ASP HBy 1.0 0.0 4.65 405 368 A 12 ASP HBy A 29 VAL HGy% 1.0 0.0 4.95 406 369 A 4 MET H A 4 MET HGy 1.0 0.0 5.23 407 370 A 4 MET HGy A 4 MET HE% 1.0 0.0 3.43 408 371 A 7 ASP H A 7 ASP HBx 1.0 0.0 3.42 409 372 A 7 ASP HBx A 6 LEU HA 1.0 0.0 5.17 410 373 A 25 VAL HGy% A 44 GLN HG2 1.0 0.0 5.28 411 373 A 25 VAL HGy% A 44 GLN HG3 1.0 0.0 5.28 412 374 A 44 GLN H A 44 GLN HG2 1.0 0.0 4.88 413 374 A 44 GLN H A 44 GLN HG3 1.0 0.0 4.88 414 375 A 24 TRP HZ2 A 56 ARG HDx 1.0 0.0 4.79 415 376 A 24 TRP HH2 A 56 ARG HDx 1.0 0.0 4.77 416 377 A 12 ASP HBx A 13 VAL H 1.0 0.0 3.45 417 378 A 12 ASP HBx A 57 LEU HDx% 1.0 0.0 4.76 418 379 A 12 ASP HBx A 8 LEU HD1% 1.0 0.0 4.24 419 379 A 12 ASP HBx A 8 LEU HD2% 1.0 0.0 4.24 420 380 A 54 GLN HE21 A 54 GLN HG2 1.0 0.0 3.50 421 380 A 54 GLN HE21 A 54 GLN HG3 1.0 0.0 3.50 422 381 A 54 GLN HBy A 54 GLN H 1.0 0.0 2.99 423 382 A 17 LEU HDx% A 54 GLN HG2 1.0 0.0 4.61 424 382 A 17 LEU HDx% A 54 GLN HG3 1.0 0.0 4.61 425 383 A 24 TRP HZ3 A 54 GLN HG2 1.0 0.0 5.50 426 383 A 24 TRP HZ3 A 54 GLN HG3 1.0 0.0 5.50 427 384 A 42 SER H A 41 GLN HGy 1.0 0.0 4.16 428 385 A 46 ARG H A 44 GLN HBy 1.0 0.0 4.51 429 386 A 41 GLN HGy A 45 GLY HAy 1.0 0.0 5.23 430 387 A 9 GLN H A 9 GLN HG2 1.0 0.0 3.65 431 387 A 9 GLN H A 9 GLN HG3 1.0 0.0 3.65 432 388 A 9 GLN HE21 A 9 GLN HG2 1.0 0.0 3.33 433 388 A 9 GLN HE21 A 9 GLN HG3 1.0 0.0 3.33 434 389 A 44 GLN HE22 A 44 GLN HBy 1.0 0.0 5.50 435 390 A 9 GLN HE22 A 9 GLN HG2 1.0 0.0 3.96 436 390 A 9 GLN HG3 A 9 GLN HE22 1.0 0.0 3.96 437 391 A 54 GLN HBx A 54 GLN HE22 1.0 0.0 5.01 438 392 A 5 GLU H A 5 GLU HG2 1.0 0.0 4.15 439 392 A 5 GLU H A 5 GLU HG3 1.0 0.0 4.15 440 393 A 10 PRO HBy A 32 VAL HGx% 1.0 0.0 5.50 441 394 A 31 ARG HA A 10 PRO HGy 1.0 0.0 5.48 442 395 A 12 ASP HBx A 29 VAL HB 1.0 0.0 4.20 443 396 A 30 ILE H A 29 VAL HB 1.0 0.0 5.00 444 397 A 11 GLY H A 29 VAL HB 1.0 0.0 3.42 445 398 A 29 VAL H A 29 VAL HB 1.0 0.0 2.99 446 399 A 12 ASP H A 29 VAL HB 1.0 0.0 3.15 447 400 A 31 ARG H A 29 VAL HB 1.0 0.0 5.08 448 401 A 48 PHE H A 47 GLU HGy 1.0 0.0 4.00 449 402 A 47 GLU HGy A 30 ILE HG12 1.0 0.0 5.19 450 402 A 47 GLU HGy A 30 ILE HG13 1.0 0.0 5.19 451 403 A 30 ILE HD1% A 47 GLU HGy 1.0 0.0 4.79 452 404 A 47 GLU H A 47 GLU HGy 1.0 0.0 4.58 453 405 A 41 GLN HA A 47 GLU HGy 1.0 0.0 5.18 454 406 A 42 SER H A 41 GLN HGx 1.0 0.0 4.20 455 407 A 41 GLN HGx A 41 GLN HE21 1.0 0.0 3.76 456 408 A 6 LEU H A 5 GLU HBy 1.0 0.0 3.91 457 409 A 16 VAL HA A 55 VAL HB 1.0 0.0 5.50 458 410 A 32 VAL H A 32 VAL HB 1.0 0.0 3.57 459 411 A 14 VAL HGx% A 55 VAL HB 1.0 0.0 5.50 460 412 A 52 GLY H A 51 ARG HBy 1.0 0.0 3.20 461 413 A 34 SER H A 33 LYS HBy 1.0 0.0 3.74 462 414 A 4 MET H A 4 MET HBx 1.0 0.0 3.67 463 415 A 54 GLN H A 51 ARG HBy 1.0 0.0 4.34 464 416 A 55 VAL H A 55 VAL HB 1.0 0.0 3.22 465 417 A 52 GLY HAy A 51 ARG HBy 1.0 0.0 5.14 466 418 A 33 LYS HBy A 34 SER HB2 1.0 0.0 5.16 467 418 A 34 SER HB3 A 33 LYS HBy 1.0 0.0 5.16 468 419 A 55 VAL HB A 52 GLY HAx 1.0 0.0 4.65 469 420 A 9 GLN HE22 A 9 GLN HBy 1.0 0.0 5.29 470 421 A 10 PRO HDx A 9 GLN HBy 1.0 0.0 3.48 471 422 A 31 ARG HDy A 33 LYS HBy 1.0 0.0 4.38 472 423 A 41 GLN HBy A 41 GLN HE21 1.0 0.0 4.41 473 424 A 40 VAL H A 47 GLU HGx 1.0 0.0 5.33 474 425 A 47 GLU H A 47 GLU HB2 1.0 0.0 2.88 475 425 A 47 GLU H A 47 GLU HB3 1.0 0.0 2.88 476 426 A 41 GLN HBy A 41 GLN HE22 1.0 0.0 5.15 477 427 A 5 GLU H A 5 GLU HBx 1.0 0.0 3.61 478 428 A 6 LEU H A 5 GLU HBx 1.0 0.0 4.42 479 429 A 26 ARG H A 26 ARG HBy 1.0 0.0 3.26 480 430 A 16 VAL HB A 48 PHE HE% 1.0 0.0 4.46 481 431 A 26 ARG HBy A 43 ASP HB2 1.0 0.0 4.56 482 431 A 43 ASP HB3 A 26 ARG HBy 1.0 0.0 4.56 483 432 A 16 VAL H A 16 VAL HB 1.0 0.0 3.75 484 433 A 16 VAL HB A 48 PHE HZ 1.0 0.0 4.34 485 434 A 27 ALA HB% A 16 VAL HB 1.0 0.0 4.33 486 435 A 39 VAL HB A 40 VAL H 1.0 0.0 4.52 487 436 A 31 ARG H A 31 ARG HBy 1.0 0.0 3.28 488 437 A 31 ARG HBy A 31 ARG HDy 1.0 0.0 4.09 489 438 A 31 ARG HDx A 31 ARG HBy 1.0 0.0 4.15 490 439 A 11 GLY H A 10 PRO HBx 1.0 0.0 4.13 491 440 A 59 GLU H A 59 GLU HBx 1.0 0.0 3.66 492 441 A 9 GLN HE22 A 10 PRO HGx 1.0 0.0 5.50 493 442 A 42 SER H A 41 GLN HBx 1.0 0.0 4.27 494 443 A 25 VAL H A 15 LYS HBy 1.0 0.0 5.18 495 444 A 9 GLN H A 9 GLN HBx 1.0 0.0 3.42 496 445 A 51 ARG H A 51 ARG HBx 1.0 0.0 3.00 497 446 A 54 GLN H A 51 ARG HBx 1.0 0.0 4.46 498 447 A 41 GLN HE21 A 41 GLN HBx 1.0 0.0 5.05 499 448 A 24 TRP HE3 A 15 LYS HBy 1.0 0.0 3.44 500 449 A 24 TRP HBx A 15 LYS HBy 1.0 0.0 3.96 501 450 A 15 LYS HBy A 15 LYS HDy 1.0 0.0 3.61 502 451 A 41 GLN HBx A 30 ILE HG12 1.0 0.0 3.46 503 451 A 30 ILE HG13 A 41 GLN HBx 1.0 0.0 3.46 504 452 A 27 ALA H A 26 ARG HBx 1.0 0.0 4.08 505 453 A 26 ARG H A 26 ARG HBx 1.0 0.0 3.09 506 454 A 26 ARG HBx A 26 ARG HD2 1.0 0.0 3.24 507 454 A 26 ARG HD3 A 26 ARG HBx 1.0 0.0 3.24 508 455 A 32 VAL H A 31 ARG HBx 1.0 0.0 3.57 509 456 A 48 PHE HE% A 18 GLU HB2 1.0 0.0 4.34 510 456 A 48 PHE HE% A 18 GLU HB3 1.0 0.0 4.34 511 457 A 31 ARG HDx A 31 ARG HBx 1.0 0.0 4.23 512 458 A 25 VAL H A 18 GLU HB2 1.0 0.0 5.50 513 458 A 25 VAL H A 18 GLU HB3 1.0 0.0 5.50 514 459 A 18 GLU H A 18 GLU HB2 1.0 0.0 3.02 515 459 A 18 GLU H A 18 GLU HB3 1.0 0.0 3.02 516 460 A 56 ARG H A 56 ARG HBy 1.0 0.0 4.15 517 461 A 57 LEU H A 57 LEU HG 1.0 0.0 3.25 518 462 A 52 GLY H A 51 ARG HG2 1.0 0.0 3.68 519 462 A 52 GLY H A 51 ARG HG3 1.0 0.0 3.68 520 463 A 27 ALA H A 26 ARG HG2 1.0 0.0 3.64 521 463 A 27 ALA H A 26 ARG HG3 1.0 0.0 3.64 522 464 A 39 VAL H A 30 ILE HB 1.0 0.0 5.38 523 465 A 15 LYS H A 15 LYS HBx 1.0 0.0 3.59 524 466 A 14 VAL H A 26 ARG HG2 1.0 0.0 5.25 525 466 A 14 VAL H A 26 ARG HG3 1.0 0.0 5.25 526 467 A 31 ARG H A 30 ILE HB 1.0 0.0 3.03 527 468 A 41 GLN H A 28 ARG HB2 1.0 0.0 4.36 528 468 A 41 GLN H A 28 ARG HB3 1.0 0.0 4.36 529 469 A 6 LEU H A 6 LEU HBy 1.0 0.0 2.65 530 470 A 8 LEU H A 6 LEU HBy 1.0 0.0 4.45 531 471 A 22 LEU H A 22 LEU HBy 1.0 0.0 3.13 532 472 A 24 TRP HBx A 15 LYS HBx 1.0 0.0 4.45 533 473 A 57 LEU H A 57 LEU HB2 1.0 0.0 2.84 534 473 A 57 LEU H A 57 LEU HB3 1.0 0.0 2.84 535 474 A 58 ILE H A 57 LEU HB2 1.0 0.0 3.26 536 474 A 58 ILE H A 57 LEU HB3 1.0 0.0 3.26 537 475 A 8 LEU H A 8 LEU HBy 1.0 0.0 2.75 538 476 A 8 LEU HBy A 8 LEU HD1% 1.0 0.0 2.72 539 476 A 8 LEU HD2% A 8 LEU HBy 1.0 0.0 2.72 540 477 A 30 ILE H A 40 VAL HB 1.0 0.0 5.03 541 478 A 40 VAL H A 40 VAL HB 1.0 0.0 4.02 542 479 A 12 ASP H A 28 ARG HG2 1.0 0.0 5.36 543 479 A 12 ASP H A 28 ARG HG3 1.0 0.0 5.36 544 480 A 11 GLY H A 28 ARG HG2 1.0 0.0 4.73 545 480 A 11 GLY H A 28 ARG HG3 1.0 0.0 4.73 546 481 A 29 VAL H A 28 ARG HG2 1.0 0.0 3.87 547 481 A 29 VAL H A 28 ARG HG3 1.0 0.0 3.87 548 482 A 33 LYS H A 33 LYS HBx 1.0 0.0 3.33 549 483 A 33 LYS HBx A 34 SER H 1.0 0.0 4.39 550 484 A 37 ARG H A 33 LYS HBx 1.0 0.0 3.62 551 485 A 11 GLY HAx A 28 ARG HG2 1.0 0.0 4.23 552 485 A 28 ARG HG3 A 11 GLY HAx 1.0 0.0 4.23 553 486 A 37 ARG HDy A 33 LYS HDx 1.0 0.0 4.00 554 487 A 24 TRP HH2 A 56 ARG HGy 1.0 0.0 4.44 555 488 A 24 TRP HZ3 A 56 ARG HGy 1.0 0.0 4.78 556 489 A 48 PHE HD% A 46 ARG HG2 1.0 0.0 3.88 557 489 A 48 PHE HD% A 46 ARG HG3 1.0 0.0 3.88 558 490 A 58 ILE H A 58 ILE HG1y 1.0 0.0 3.78 559 491 A 37 ARG HDy A 37 ARG HBx 1.0 0.0 4.02 560 492 A 15 LYS H A 15 LYS HGy 1.0 0.0 3.81 561 493 A 37 ARG H A 37 ARG HBx 1.0 0.0 3.66 562 494 A 23 GLY H A 22 LEU HBx 1.0 0.0 4.00 563 495 A 19 SER HBx A 22 LEU HG 1.0 0.0 5.50 564 496 A 24 TRP HBx A 15 LYS HDy 1.0 0.0 4.62 565 497 A 15 LYS HEy A 15 LYS HGy 1.0 0.0 3.98 566 498 A 24 TRP HE3 A 15 LYS HDy 1.0 0.0 4.20 567 499 A 7 ASP H A 6 LEU HBx 1.0 0.0 3.82 568 500 A 4 MET H A 3 ALA HB% 1.0 0.0 4.72 569 501 A 31 ARG H A 31 ARG HGy 1.0 0.0 3.99 570 502 A 20 ALA HB% A 21 ALA HA 1.0 0.0 4.91 571 503 A 17 LEU HDy% A 20 ALA HB% 1.0 0.0 5.29 572 504 A 24 TRP HH2 A 56 ARG HGx 1.0 0.0 4.06 573 505 A 24 TRP HZ3 A 56 ARG HGx 1.0 0.0 4.23 574 506 A 36 GLY HAx A 37 ARG HG2 1.0 0.0 4.67 575 506 A 37 ARG HG3 A 36 GLY HAx 1.0 0.0 4.67 576 507 A 33 LYS H A 33 LYS HG2 1.0 0.0 4.36 577 507 A 33 LYS HG3 A 33 LYS H 1.0 0.0 4.36 578 508 A 21 ALA H A 21 ALA HB% 1.0 0.0 3.56 579 509 A 23 GLY H A 21 ALA HB% 1.0 0.0 5.10 580 510 A 21 ALA HB% A 22 LEU H 1.0 0.0 3.65 581 511 A 32 VAL H A 31 ARG HGx 1.0 0.0 4.79 582 512 A 32 VAL HA A 31 ARG HGx 1.0 0.0 5.37 583 513 A 41 GLN HGx A 30 ILE HG12 1.0 0.0 5.07 584 513 A 41 GLN HGx A 30 ILE HG13 1.0 0.0 5.07 585 514 A 16 VAL H A 15 LYS HGx 1.0 0.0 5.50 586 515 A 41 GLN HE21 A 30 ILE HG12 1.0 0.0 5.29 587 515 A 30 ILE HG13 A 41 GLN HE21 1.0 0.0 5.29 588 516 A 31 ARG H A 31 ARG HGx 1.0 0.0 3.82 589 517 A 30 ILE HA A 30 ILE HG12 1.0 0.0 3.60 590 517 A 30 ILE HA A 30 ILE HG13 1.0 0.0 3.60 591 518 A 41 GLN HBy A 30 ILE HG12 1.0 0.0 4.15 592 518 A 41 GLN HBy A 30 ILE HG13 1.0 0.0 4.15 593 519 A 9 GLN H A 8 LEU HBx 1.0 0.0 3.52 594 520 A 8 LEU H A 8 LEU HBx 1.0 0.0 3.65 595 521 A 8 LEU HBx A 8 LEU HD1% 1.0 0.0 3.31 596 521 A 8 LEU HD2% A 8 LEU HBx 1.0 0.0 3.31 597 522 A 50 ALA H A 50 ALA HB% 1.0 0.0 3.30 598 523 A 40 VAL H A 50 ALA HB% 1.0 0.0 4.62 599 524 A 51 ARG H A 50 ALA HB% 1.0 0.0 3.42 600 525 A 54 GLN H A 50 ALA HB% 1.0 0.0 4.60 601 526 A 54 GLN HE21 A 50 ALA HB% 1.0 0.0 5.50 602 527 A 48 PHE HE% A 50 ALA HB% 1.0 0.0 3.74 603 528 A 48 PHE HZ A 50 ALA HB% 1.0 0.0 4.93 604 529 A 42 SER H A 25 VAL HGy% 1.0 0.0 5.50 605 530 A 25 VAL HGy% A 25 VAL H 1.0 0.0 3.31 606 531 A 25 VAL HGy% A 48 PHE HZ 1.0 0.0 4.08 607 532 A 25 VAL HGy% A 18 GLU HA 1.0 0.0 4.57 608 533 A 25 VAL HGy% A 43 ASP H 1.0 0.0 5.13 609 534 A 25 VAL HGy% A 26 ARG H 1.0 0.0 3.81 610 535 A 25 VAL HGy% A 18 GLU H 1.0 0.0 4.41 611 536 A 25 VAL HGy% A 19 SER H 1.0 0.0 5.24 612 537 A 25 VAL HGy% A 48 PHE HE% 1.0 0.0 4.25 613 538 A 25 VAL HGy% A 44 GLN HE22 1.0 0.0 4.54 614 539 A 25 VAL HGy% A 42 SER HBx 1.0 0.0 4.23 615 540 A 25 VAL HGy% A 43 ASP HB2 1.0 0.0 5.24 616 540 A 25 VAL HGy% A 43 ASP HB3 1.0 0.0 5.24 617 541 A 25 VAL HGy% A 17 LEU HA 1.0 0.0 5.48 618 542 A 59 GLU H A 58 ILE HG1x 1.0 0.0 4.93 619 543 A 49 THR HG2% A 49 THR H 1.0 0.0 4.27 620 544 A 58 ILE H A 58 ILE HG1x 1.0 0.0 3.96 621 545 A 49 THR HG2% A 37 ARG H 1.0 0.0 5.42 622 546 A 24 TRP HZ2 A 17 LEU HBy 1.0 0.0 5.19 623 547 A 24 TRP HE3 A 17 LEU HBy 1.0 0.0 5.22 624 548 A 24 TRP HH2 A 17 LEU HBy 1.0 0.0 4.82 625 549 A 13 VAL HG2% A 26 ARG HG2 1.0 0.0 3.81 626 549 A 13 VAL HG1% A 26 ARG HG2 1.0 0.0 3.81 627 549 A 26 ARG HG3 A 13 VAL HG1% 1.0 0.0 3.81 628 549 A 26 ARG HG3 A 13 VAL HG2% 1.0 0.0 3.81 629 550 A 17 LEU HDx% A 17 LEU HBy 1.0 0.0 3.36 630 551 A 17 LEU HDy% A 17 LEU HBy 1.0 0.0 4.08 631 552 A 29 VAL H A 27 ALA HB% 1.0 0.0 5.27 632 553 A 13 VAL H A 13 VAL HG1% 1.0 0.0 3.36 633 553 A 13 VAL H A 13 VAL HG2% 1.0 0.0 3.36 634 554 A 13 VAL HG1% A 28 ARG HD2 1.0 0.0 4.57 635 554 A 13 VAL HG2% A 28 ARG HD2 1.0 0.0 4.57 636 554 A 28 ARG HD3 A 13 VAL HG1% 1.0 0.0 4.57 637 554 A 13 VAL HG2% A 28 ARG HD3 1.0 0.0 4.57 638 555 A 42 SER H A 27 ALA HB% 1.0 0.0 4.75 639 556 A 27 ALA HB% A 27 ALA H 1.0 0.0 3.32 640 557 A 27 ALA HB% A 48 PHE HZ 1.0 0.0 4.79 641 558 A 27 ALA HB% A 42 SER HBx 1.0 0.0 4.35 642 559 A 27 ALA HB% A 14 VAL H 1.0 0.0 3.48 643 560 A 57 LEU H A 57 LEU HDx% 1.0 0.0 4.42 644 561 A 13 VAL H A 57 LEU HDx% 1.0 0.0 5.11 645 562 A 57 LEU HDx% A 12 ASP HBy 1.0 0.0 5.25 646 563 A 39 VAL HGx% A 40 VAL H 1.0 0.0 4.13 647 564 A 39 VAL HGx% A 33 LYS H 1.0 0.0 4.69 648 565 A 57 LEU H A 57 LEU HDy% 1.0 0.0 3.97 649 566 A 58 ILE H A 58 ILE HG2% 1.0 0.0 3.90 650 567 A 54 GLN HE21 A 16 VAL HGy% 1.0 0.0 4.24 651 568 A 16 VAL H A 16 VAL HGy% 1.0 0.0 4.11 652 569 A 25 VAL H A 16 VAL HGy% 1.0 0.0 5.49 653 570 A 50 ALA H A 39 VAL HGx% 1.0 0.0 4.53 654 571 A 56 ARG H A 16 VAL HGy% 1.0 0.0 5.50 655 572 A 17 LEU H A 16 VAL HGy% 1.0 0.0 3.91 656 573 A 6 LEU H A 6 LEU HG 1.0 0.0 3.88 657 574 A 55 VAL H A 16 VAL HGy% 1.0 0.0 5.30 658 575 A 48 PHE HE% A 16 VAL HGy% 1.0 0.0 3.58 659 576 A 48 PHE HZ A 16 VAL HGy% 1.0 0.0 3.76 660 577 A 50 ALA HB% A 16 VAL HGy% 1.0 0.0 3.85 661 578 A 29 VAL H A 29 VAL HGx% 1.0 0.0 3.13 662 579 A 29 VAL HGx% A 14 VAL H 1.0 0.0 5.18 663 580 A 29 VAL HGx% A 12 ASP HBx 1.0 0.0 3.82 664 581 A 54 GLN HG3 A 16 VAL HGy% 1.0 0.0 5.44 665 581 A 16 VAL HGy% A 54 GLN HG2 1.0 0.0 5.44 666 582 A 29 VAL HGx% A 40 VAL HA 1.0 0.0 4.78 667 583 A 30 ILE H A 30 ILE HG2% 1.0 0.0 4.39 668 584 A 24 TRP HE3 A 16 VAL HGx% 1.0 0.0 5.50 669 585 A 31 ARG H A 30 ILE HG2% 1.0 0.0 3.79 670 586 A 54 GLN H A 55 VAL HG1% 1.0 0.0 3.87 671 586 A 54 GLN H A 55 VAL HG2% 1.0 0.0 3.87 672 587 A 8 LEU H A 8 LEU HD1% 1.0 0.0 3.59 673 587 A 8 LEU H A 8 LEU HD2% 1.0 0.0 3.59 674 588 A 24 TRP HH2 A 55 VAL HG1% 1.0 0.0 5.50 675 588 A 24 TRP HH2 A 55 VAL HG2% 1.0 0.0 5.50 676 589 A 12 ASP HBy A 8 LEU HD1% 1.0 0.0 4.43 677 589 A 8 LEU HD2% A 12 ASP HBy 1.0 0.0 4.43 678 590 A 56 ARG H A 55 VAL HG1% 1.0 0.0 3.53 679 590 A 56 ARG H A 55 VAL HG2% 1.0 0.0 3.53 680 591 A 39 VAL HGy% A 48 PHE H 1.0 0.0 4.34 681 592 A 31 ARG H A 39 VAL HGy% 1.0 0.0 3.76 682 593 A 55 VAL H A 55 VAL HG1% 1.0 0.0 3.39 683 593 A 55 VAL H A 55 VAL HG2% 1.0 0.0 3.39 684 594 A 52 GLY HAy A 55 VAL HG1% 1.0 0.0 4.90 685 594 A 55 VAL HG2% A 52 GLY HAy 1.0 0.0 4.90 686 595 A 50 ALA H A 38 VAL HG1% 1.0 0.0 4.04 687 595 A 50 ALA H A 38 VAL HG2% 1.0 0.0 4.04 688 596 A 38 VAL H A 38 VAL HG1% 1.0 0.0 3.09 689 596 A 38 VAL H A 38 VAL HG2% 1.0 0.0 3.09 690 597 A 33 LYS H A 38 VAL HG1% 1.0 0.0 3.99 691 597 A 33 LYS H A 38 VAL HG2% 1.0 0.0 3.99 692 598 A 58 ILE HD1% A 15 LYS HEy 1.0 0.0 4.98 693 599 A 37 ARG H A 38 VAL HG1% 1.0 0.0 5.29 694 599 A 37 ARG H A 38 VAL HG2% 1.0 0.0 5.29 695 600 A 18 GLU H A 22 LEU HDx% 1.0 0.0 5.50 696 601 A 56 ARG H A 14 VAL HGx% 1.0 0.0 5.28 697 602 A 29 VAL H A 14 VAL HGx% 1.0 0.0 4.97 698 603 A 57 LEU H A 14 VAL HGx% 1.0 0.0 5.38 699 604 A 13 VAL H A 14 VAL HGx% 1.0 0.0 4.93 700 605 A 58 ILE H A 14 VAL HGx% 1.0 0.0 4.58 701 606 A 14 VAL HGx% A 13 VAL HB 1.0 0.0 5.50 702 607 A 14 VAL HGx% A 57 LEU HB2 1.0 0.0 5.25 703 607 A 14 VAL HGx% A 57 LEU HB3 1.0 0.0 5.25 704 608 A 29 VAL HGx% A 14 VAL HGx% 1.0 0.0 3.71 705 609 A 30 ILE HD1% A 41 GLN HE21 1.0 0.0 4.99 706 610 A 30 ILE HD1% A 41 GLN HE22 1.0 0.0 5.28 707 611 A 18 GLU H A 17 LEU HG 1.0 0.0 4.72 708 612 A 17 LEU H A 17 LEU HG 1.0 0.0 4.78 709 613 A 19 SER HA A 17 LEU HG 1.0 0.0 5.36 710 614 A 17 LEU HG A 20 ALA HA 1.0 0.0 4.98 711 615 A 48 PHE HE% A 40 VAL HGx% 1.0 0.0 5.21 712 616 A 29 VAL HGy% A 38 VAL HG1% 1.0 0.0 3.12 713 616 A 38 VAL HG2% A 29 VAL HGy% 1.0 0.0 3.12 714 617 A 29 VAL H A 40 VAL HGx% 1.0 0.0 3.91 715 618 A 39 VAL H A 29 VAL HGy% 1.0 0.0 4.71 716 619 A 12 ASP H A 29 VAL HGy% 1.0 0.0 4.26 717 620 A 31 ARG H A 29 VAL HGy% 1.0 0.0 3.48 718 621 A 30 ILE HA A 29 VAL HGy% 1.0 0.0 4.71 719 622 A 12 ASP HBx A 29 VAL HGy% 1.0 0.0 5.19 720 623 A 14 VAL HGy% A 55 VAL HG1% 1.0 0.0 3.37 721 623 A 14 VAL HGy% A 55 VAL HG2% 1.0 0.0 3.37 722 624 A 27 ALA H A 14 VAL HGy% 1.0 0.0 4.02 723 625 A 27 ALA HB% A 14 VAL HGy% 1.0 0.0 3.43 724 626 A 18 GLU H A 17 LEU HDx% 1.0 0.0 5.24 725 627 A 17 LEU HDx% A 23 GLY H 1.0 0.0 5.35 726 628 A 17 LEU HDx% A 24 TRP HZ2 1.0 0.0 3.89 727 629 A 24 TRP HD1 A 17 LEU HDx% 1.0 0.0 4.97 728 630 A 24 TRP HH2 A 17 LEU HDx% 1.0 0.0 5.04 729 631 A 24 TRP HZ3 A 17 LEU HDx% 1.0 0.0 5.50 730 632 A 17 LEU HDx% A 20 ALA HB% 1.0 0.0 4.91 731 633 A 18 GLU H A 17 LEU HDy% 1.0 0.0 4.14 732 634 A 17 LEU HDy% A 23 GLY H 1.0 0.0 4.22 733 635 A 17 LEU HDy% A 24 TRP HZ2 1.0 0.0 4.50 734 636 A 24 TRP HD1 A 17 LEU HDy% 1.0 0.0 4.00 735 637 A 24 TRP HH2 A 17 LEU HDy% 1.0 0.0 5.50 736 638 A 17 LEU HDy% A 54 GLN HG2 1.0 0.0 5.50 737 638 A 17 LEU HDy% A 54 GLN HG3 1.0 0.0 5.50 738 639 A 24 TRP HE3 A 17 LEU HDy% 1.0 0.0 5.37 739 640 A 24 TRP HBx A 17 LEU HDy% 1.0 0.0 5.50 740 641 A 30 ILE H A 40 VAL HGy% 1.0 0.0 5.50 741 642 A 42 SER H A 40 VAL HGy% 1.0 0.0 4.92 742 643 A 29 VAL H A 40 VAL HGy% 1.0 0.0 5.50 743 644 A 40 VAL HGy% A 41 GLN H 1.0 0.0 4.46 744 645 A 40 VAL HGy% A 48 PHE HE% 1.0 0.0 3.64 745 646 A 40 VAL HGy% A 48 PHE HZ 1.0 0.0 4.06 746 647 A 40 VAL HGy% A 48 PHE HBy 1.0 0.0 5.21 747 648 A 40 VAL HGy% A 50 ALA HB% 1.0 0.0 4.01 748 649 A 27 ALA HB% A 40 VAL HGy% 1.0 0.0 3.59 749 650 A 40 VAL HGy% A 16 VAL HGy% 1.0 0.0 3.92 750 651 A 40 VAL HGy% A 16 VAL HGx% 1.0 0.0 3.71 751 652 A 40 VAL HGy% A 42 SER HBx 1.0 0.0 5.49 752 653 A 18 GLU H A 17 LEU HBx 1.0 0.0 4.63 753 654 A 24 TRP H A 17 LEU HBx 1.0 0.0 5.42 754 655 A 17 LEU H A 17 LEU HBx 1.0 0.0 3.47 755 656 A 24 TRP HZ2 A 17 LEU HBx 1.0 0.0 4.43 756 657 A 24 TRP HE3 A 17 LEU HBx 1.0 0.0 4.53 757 658 A 24 TRP HH2 A 17 LEU HBx 1.0 0.0 4.60 758 659 A 24 TRP HZ3 A 17 LEU HBx 1.0 0.0 4.64 759 660 A 17 LEU HBx A 54 GLN HG2 1.0 0.0 4.82 760 660 A 54 GLN HG3 A 17 LEU HBx 1.0 0.0 4.82 761 661 A 17 LEU HDx% A 17 LEU HBx 1.0 0.0 3.53 762 662 A 54 GLN HBx A 17 LEU HBx 1.0 0.0 5.50 763 663 A 39 VAL HGx% A 49 THR HB 1.0 0.0 4.23 764 664 A 19 SER H A 19 SER HBy 1.0 0.0 3.86 765 665 A 19 SER HBx A 22 LEU H 1.0 0.0 4.34 766 666 A 19 SER HBy A 22 LEU H 1.0 0.0 3.97 767 667 A 19 SER HBy A 18 GLU HGx 1.0 0.0 4.89 768 668 A 29 VAL HA A 30 ILE HB 1.0 0.0 4.82 769 669 A 40 VAL HB A 29 VAL HA 1.0 0.0 4.03 770 670 A 29 VAL HA A 30 ILE HG12 1.0 0.0 4.37 771 670 A 29 VAL HA A 30 ILE HG13 1.0 0.0 4.37 772 671 A 30 ILE HD1% A 29 VAL HA 1.0 0.0 4.96 773 672 A 30 ILE H A 29 VAL HA 1.0 0.0 2.58 774 673 A 41 GLN H A 29 VAL HA 1.0 0.0 3.96 775 674 A 40 VAL HA A 29 VAL HA 1.0 0.0 3.06 776 675 A 40 VAL HGx% A 29 VAL HA 1.0 0.0 2.87 777 676 A 11 GLY H A 10 PRO HA 1.0 0.0 2.44 778 677 A 12 ASP H A 10 PRO HA 1.0 0.0 3.70 779 678 A 31 ARG HA A 10 PRO HA 1.0 0.0 3.95 780 679 A 29 VAL HGx% A 10 PRO HA 1.0 0.0 4.49 781 680 A 10 PRO HA A 29 VAL HGy% 1.0 0.0 3.09 782 681 A 32 VAL HA A 33 LYS HDy 1.0 0.0 5.08 783 682 A 49 THR HA A 39 VAL HA 1.0 0.0 3.25 784 683 A 59 GLU H A 58 ILE HA 1.0 0.0 2.60 785 684 A 58 ILE HA A 58 ILE HG1x 1.0 0.0 3.93 786 685 A 58 ILE HA A 58 ILE HG2% 1.0 0.0 3.23 787 686 A 58 ILE HD1% A 58 ILE HA 1.0 0.0 3.94 788 687 A 54 GLN HBx A 55 VAL HA 1.0 0.0 5.06 789 688 A 11 GLY H A 30 ILE HA 1.0 0.0 4.56 790 689 A 30 ILE HA A 29 VAL HA 1.0 0.0 4.66 791 690 A 34 SER HA A 33 LYS HBy 1.0 0.0 4.68 792 691 A 34 SER HA A 33 LYS HBx 1.0 0.0 4.89 793 692 A 18 GLU HA A 54 GLN HE22 1.0 0.0 4.27 794 693 A 18 GLU HA A 18 GLU HB2 1.0 0.0 2.70 795 693 A 18 GLU HB3 A 18 GLU HA 1.0 0.0 2.70 796 694 A 18 GLU HGx A 18 GLU HA 1.0 0.0 3.18 797 695 A 18 GLU HA A 16 VAL HGy% 1.0 0.0 4.33 798 695 A 18 GLU HA A 16 VAL HGx% 1.0 0.0 4.33 799 696 A 22 LEU HDx% A 18 GLU HA 1.0 0.0 5.06 800 697 A 17 LEU H A 16 VAL HA 1.0 0.0 2.71 801 698 A 16 VAL HA A 17 LEU HBy 1.0 0.0 4.74 802 699 A 16 VAL HA A 16 VAL HGy% 1.0 0.0 3.44 803 699 A 16 VAL HA A 16 VAL HGx% 1.0 0.0 3.44 804 700 A 16 VAL HA A 17 LEU HBx 1.0 0.0 4.68 805 701 A 16 VAL HA A 55 VAL HA 1.0 0.0 2.97 806 702 A 15 LYS HGx A 14 VAL HA 1.0 0.0 4.69 807 703 A 54 GLN HE21 A 18 GLU HA 1.0 0.0 4.27 808 704 A 30 ILE H A 40 VAL HA 1.0 0.0 3.20 809 705 A 41 GLN H A 40 VAL HA 1.0 0.0 2.88 810 706 A 28 ARG H A 40 VAL HA 1.0 0.0 4.31 811 707 A 31 ARG H A 40 VAL HA 1.0 0.0 4.23 812 708 A 40 VAL HA A 30 ILE HB 1.0 0.0 4.09 813 709 A 40 VAL HA A 30 ILE HG12 1.0 0.0 3.63 814 709 A 40 VAL HA A 30 ILE HG13 1.0 0.0 3.63 815 710 A 40 VAL HA A 30 ILE HA 1.0 0.0 4.77 816 711 A 59 GLU HA A 59 GLU HG2 1.0 0.0 3.57 817 711 A 59 GLU HA A 59 GLU HG3 1.0 0.0 3.57 818 712 A 43 ASP HA A 42 SER HA 1.0 0.0 4.23 819 713 A 19 SER HA A 20 ALA HB% 1.0 0.0 5.13 820 714 A 17 LEU HDy% A 19 SER HA 1.0 0.0 5.24 821 715 A 49 THR HG2% A 48 PHE HA 1.0 0.0 5.21 822 716 A 46 ARG HA A 45 GLY HAx 1.0 0.0 4.79 823 717 A 54 GLN HE21 A 54 GLN HA 1.0 0.0 4.96 824 718 A 54 GLN HA A 53 ASN HBy 1.0 0.0 4.93 825 719 A 22 LEU HA A 22 LEU HBx 1.0 0.0 2.97 826 720 A 57 LEU HA A 57 LEU HDy% 1.0 0.0 3.92 827 721 A 40 VAL H A 47 GLU HA 1.0 0.0 4.17 828 722 A 48 PHE HD% A 47 GLU HA 1.0 0.0 4.06 829 723 A 47 GLU HA A 41 GLN HA 1.0 0.0 2.86 830 724 A 41 GLN HGy A 47 GLU HA 1.0 0.0 4.62 831 725 A 47 GLU HA A 47 GLU HGy 1.0 0.0 3.53 832 726 A 41 GLN HGx A 47 GLU HA 1.0 0.0 4.31 833 727 A 48 PHE H A 47 GLU HA 1.0 0.0 2.52 834 728 A 47 GLU HA A 47 GLU HB2 1.0 0.0 2.75 835 728 A 47 GLU HA A 47 GLU HB3 1.0 0.0 2.75 836 729 A 47 GLU HA A 41 GLN HBx 1.0 0.0 4.14 837 730 A 47 GLU HA A 46 ARG HG2 1.0 0.0 5.23 838 730 A 47 GLU HA A 46 ARG HG3 1.0 0.0 5.23 839 731 A 40 VAL HGy% A 47 GLU HA 1.0 0.0 4.62 840 732 A 47 GLU HA A 30 ILE HG12 1.0 0.0 5.48 841 732 A 47 GLU HA A 30 ILE HG13 1.0 0.0 5.48 842 733 A 15 LYS HGx A 15 LYS HA 1.0 0.0 3.82 843 734 A 16 VAL H A 15 LYS HA 1.0 0.0 2.61 844 735 A 15 LYS HA A 26 ARG HA 1.0 0.0 2.97 845 736 A 15 LYS HA A 14 VAL HB 1.0 0.0 4.58 846 737 A 15 LYS HA A 15 LYS HGy 1.0 0.0 4.02 847 738 A 14 VAL HGy% A 15 LYS HA 1.0 0.0 4.48 848 739 A 8 LEU HA A 12 ASP HBy 1.0 0.0 4.93 849 740 A 23 GLY H A 20 ALA HA 1.0 0.0 4.22 850 741 A 17 LEU HDx% A 20 ALA HA 1.0 0.0 3.86 851 742 A 17 LEU HDy% A 20 ALA HA 1.0 0.0 3.64 852 743 A 41 GLN HA A 30 ILE HG12 1.0 0.0 5.27 853 743 A 41 GLN HA A 30 ILE HG13 1.0 0.0 5.27 854 744 A 42 SER H A 41 GLN HA 1.0 0.0 2.69 855 745 A 41 GLN HGy A 41 GLN HA 1.0 0.0 4.00 856 746 A 41 GLN HGx A 41 GLN HA 1.0 0.0 3.63 857 747 A 40 VAL HGy% A 41 GLN HA 1.0 0.0 4.53 858 748 A 28 ARG HA A 13 VAL HA 1.0 0.0 3.05 859 749 A 29 VAL HGx% A 28 ARG HA 1.0 0.0 4.18 860 750 A 28 ARG HA A 14 VAL HGx% 1.0 0.0 5.19 861 751 A 41 GLN HA A 42 SER HA 1.0 0.0 4.61 862 752 A 24 TRP HE3 A 17 LEU HA 1.0 0.0 4.41 863 753 A 17 LEU HA A 16 VAL HGy% 1.0 0.0 4.98 864 753 A 17 LEU HA A 16 VAL HGx% 1.0 0.0 4.98 865 754 A 3 ALA HA A 2 ASN HA 1.0 0.0 4.28 866 755 A 23 GLY H A 17 LEU HA 1.0 0.0 4.59 867 756 A 17 LEU HA A 54 GLN HG2 1.0 0.0 5.16 868 756 A 54 GLN HG3 A 17 LEU HA 1.0 0.0 5.16 869 757 A 25 VAL H A 17 LEU HA 1.0 0.0 3.87 870 758 A 18 GLU H A 17 LEU HA 1.0 0.0 2.67 871 759 A 19 SER H A 17 LEU HA 1.0 0.0 4.33 872 760 A 24 TRP HA A 17 LEU HA 1.0 0.0 2.96 873 761 A 17 LEU HA A 18 GLU HB2 1.0 0.0 4.58 874 761 A 18 GLU HB3 A 17 LEU HA 1.0 0.0 4.58 875 762 A 17 LEU HA A 17 LEU HG 1.0 0.0 3.77 876 763 A 9 GLN H A 10 PRO HDy 1.0 0.0 5.04 877 764 A 9 GLN HA A 10 PRO HDy 1.0 0.0 3.01 878 765 A 10 PRO HDy A 9 GLN HBy 1.0 0.0 3.70 879 766 A 10 PRO HDy A 32 VAL HGy% 1.0 0.0 4.78 880 767 A 10 PRO HDx A 32 VAL HGy% 1.0 0.0 4.89 881 768 A 52 GLY HAx A 55 VAL HG1% 1.0 0.0 3.76 882 768 A 55 VAL HG2% A 52 GLY HAx 1.0 0.0 3.76 883 769 A 37 ARG HA A 36 GLY HAx 1.0 0.0 4.60 884 770 A 41 GLN HGx A 45 GLY HAx 1.0 0.0 4.55 885 771 A 41 GLN HGy A 45 GLY HAx 1.0 0.0 4.51 886 772 A 37 ARG HA A 37 ARG HDy 1.0 0.0 3.23 887 773 A 26 ARG HBy A 26 ARG HD2 1.0 0.0 3.34 888 773 A 26 ARG HD3 A 26 ARG HBy 1.0 0.0 3.34 889 774 A 26 ARG HD2 A 26 ARG HG2 1.0 0.0 2.74 890 774 A 26 ARG HD3 A 26 ARG HG2 1.0 0.0 2.74 891 774 A 26 ARG HG3 A 26 ARG HD2 1.0 0.0 2.74 892 774 A 26 ARG HD3 A 26 ARG HG3 1.0 0.0 2.74 893 775 A 37 ARG HDx A 37 ARG HBy 1.0 0.0 3.21 894 776 A 37 ARG HDx A 33 LYS HDx 1.0 0.0 3.70 895 777 A 46 ARG H A 46 ARG HDy 1.0 0.0 4.84 896 778 A 48 PHE HD% A 46 ARG HDy 1.0 0.0 5.50 897 779 A 46 ARG HBx A 46 ARG HDy 1.0 0.0 3.36 898 780 A 39 VAL HGx% A 31 ARG HDy 1.0 0.0 4.60 899 781 A 13 VAL HA A 28 ARG HD2 1.0 0.0 4.29 900 781 A 13 VAL HA A 28 ARG HD3 1.0 0.0 4.29 901 782 A 11 GLY HAy A 28 ARG HD2 1.0 0.0 3.99 902 782 A 28 ARG HD3 A 11 GLY HAy 1.0 0.0 3.99 903 783 A 39 VAL HGx% A 31 ARG HDx 1.0 0.0 5.50 904 784 A 46 ARG HBx A 46 ARG HDx 1.0 0.0 3.91 905 785 A 42 SER HBy A 46 ARG HDx 1.0 0.0 4.67 906 786 A 56 ARG HA A 56 ARG HDy 1.0 0.0 3.81 907 787 A 24 TRP HZ3 A 56 ARG HDx 1.0 0.0 5.07 908 788 A 56 ARG HA A 56 ARG HDx 1.0 0.0 4.20 909 789 A 19 SER HBy A 22 LEU HBy 1.0 0.0 3.96 910 790 A 22 LEU HBy A 25 VAL HGx% 1.0 0.0 5.12 911 791 A 6 LEU H A 6 LEU HBx 1.0 0.0 3.78 912 792 A 22 LEU H A 22 LEU HBx 1.0 0.0 3.91 913 793 A 22 LEU HDx% A 22 LEU HBx 1.0 0.0 3.40 914 794 A 59 GLU HBx A 57 LEU HB2 1.0 0.0 4.90 915 794 A 57 LEU HB3 A 59 GLU HBx 1.0 0.0 4.90 916 795 A 57 LEU HB2 A 59 GLU HG2 1.0 0.0 4.41 917 795 A 57 LEU HB3 A 59 GLU HG2 1.0 0.0 4.41 918 795 A 59 GLU HG3 A 57 LEU HB2 1.0 0.0 4.41 919 795 A 57 LEU HB3 A 59 GLU HG3 1.0 0.0 4.41 920 796 A 37 ARG HDx A 33 LYS HE2 1.0 0.0 4.13 921 796 A 37 ARG HDx A 33 LYS HE3 1.0 0.0 4.13 922 797 A 33 LYS HBy A 33 LYS HE2 1.0 0.0 3.74 923 797 A 33 LYS HE3 A 33 LYS HBy 1.0 0.0 3.74 924 798 A 58 ILE H A 15 LYS HEy 1.0 0.0 5.07 925 799 A 15 LYS HBy A 15 LYS HEx 1.0 0.0 4.70 926 800 A 15 LYS HGy A 15 LYS HEx 1.0 0.0 4.10 927 801 A 12 ASP H A 12 ASP HBx 1.0 0.0 3.48 928 802 A 40 VAL HGy% A 48 PHE HBx 1.0 0.0 5.22 929 803 A 59 GLU H A 58 ILE HB 1.0 0.0 3.91 930 804 A 39 VAL HA A 47 GLU HGy 1.0 0.0 4.59 931 805 A 47 GLU HA A 47 GLU HGx 1.0 0.0 3.63 932 806 A 30 ILE H A 30 ILE HB 1.0 0.0 3.24 933 807 A 30 ILE HD1% A 30 ILE HB 1.0 0.0 4.04 934 808 A 53 ASN H A 53 ASN HBy 1.0 0.0 4.14 935 809 A 53 ASN HBx A 54 GLN HG2 1.0 0.0 5.40 936 809 A 54 GLN HG3 A 53 ASN HBx 1.0 0.0 5.40 937 810 A 53 ASN H A 53 ASN HBx 1.0 0.0 4.12 938 811 A 39 VAL HGy% A 47 GLU HGy 1.0 0.0 3.90 939 812 A 48 PHE H A 47 GLU HGx 1.0 0.0 3.69 940 813 A 39 VAL HA A 47 GLU HGx 1.0 0.0 5.26 941 814 A 39 VAL HGy% A 47 GLU HGx 1.0 0.0 3.84 942 815 A 59 GLU HBy A 59 GLU HG2 1.0 0.0 2.66 943 815 A 59 GLU HG3 A 59 GLU HBy 1.0 0.0 2.66 944 816 A 56 ARG H A 14 VAL HB 1.0 0.0 3.88 945 817 A 15 LYS H A 14 VAL HB 1.0 0.0 2.82 946 818 A 14 VAL HB A 57 LEU HA 1.0 0.0 4.25 947 819 A 5 GLU HA A 5 GLU HG2 1.0 0.0 3.65 948 819 A 5 GLU HA A 5 GLU HG3 1.0 0.0 3.65 949 820 A 5 GLU HBy A 5 GLU HG2 1.0 0.0 2.60 950 820 A 5 GLU HG3 A 5 GLU HBy 1.0 0.0 2.60 951 821 A 15 LYS HGx A 14 VAL HB 1.0 0.0 4.43 952 822 A 42 SER HBy A 25 VAL HB 1.0 0.0 4.57 953 823 A 25 VAL H A 25 VAL HB 1.0 0.0 3.79 954 824 A 26 ARG H A 25 VAL HB 1.0 0.0 3.09 955 825 A 16 VAL HB A 40 VAL HGy% 1.0 0.0 4.51 956 826 A 16 VAL HB A 17 LEU H 1.0 0.0 4.02 957 827 A 15 LYS H A 15 LYS HBy 1.0 0.0 3.96 958 828 A 15 LYS HBy A 16 VAL HGy% 1.0 0.0 4.76 959 828 A 15 LYS HBy A 16 VAL HGx% 1.0 0.0 4.76 960 829 A 18 GLU HGy A 18 GLU HA 1.0 0.0 3.68 961 830 A 18 GLU H A 18 GLU HGy 1.0 0.0 4.78 962 831 A 17 LEU H A 54 GLN HG2 1.0 0.0 3.70 963 831 A 17 LEU H A 54 GLN HG3 1.0 0.0 3.70 964 832 A 51 ARG HBx A 54 GLN HG2 1.0 0.0 4.49 965 832 A 54 GLN HG3 A 51 ARG HBx 1.0 0.0 4.49 966 833 A 41 GLN H A 40 VAL HB 1.0 0.0 3.10 967 834 A 39 VAL H A 38 VAL HB 1.0 0.0 3.73 968 835 A 39 VAL HA A 38 VAL HB 1.0 0.0 4.88 969 836 A 29 VAL HGx% A 38 VAL HB 1.0 0.0 3.62 970 837 A 43 ASP HB3 A 44 GLN HG2 1.0 0.0 4.32 971 837 A 43 ASP HB2 A 44 GLN HG2 1.0 0.0 4.32 972 837 A 44 GLN HG3 A 43 ASP HB2 1.0 0.0 4.32 973 837 A 43 ASP HB3 A 44 GLN HG3 1.0 0.0 4.32 974 838 A 56 ARG H A 55 VAL HB 1.0 0.0 4.19 975 839 A 57 LEU H A 56 ARG HBy 1.0 0.0 3.96 976 840 A 15 LYS HEy A 56 ARG HBy 1.0 0.0 4.62 977 841 A 56 ARG HDy A 56 ARG HBy 1.0 0.0 3.88 978 842 A 29 VAL H A 28 ARG HB2 1.0 0.0 3.77 979 842 A 29 VAL H A 28 ARG HB3 1.0 0.0 3.77 980 843 A 9 GLN HA A 9 GLN HG2 1.0 0.0 3.56 981 843 A 9 GLN HA A 9 GLN HG3 1.0 0.0 3.56 982 844 A 10 PRO HDx A 9 GLN HG2 1.0 0.0 4.25 983 844 A 10 PRO HDx A 9 GLN HG3 1.0 0.0 4.25 984 845 A 41 GLN HGy A 28 ARG HB2 1.0 0.0 4.37 985 845 A 41 GLN HGy A 28 ARG HB3 1.0 0.0 4.37 986 846 A 29 VAL HGy% A 32 VAL HB 1.0 0.0 4.62 987 847 A 31 ARG H A 31 ARG HBx 1.0 0.0 4.15 988 848 A 31 ARG HBx A 32 VAL HGy% 1.0 0.0 4.18 989 849 A 49 THR HG2% A 37 ARG HBx 1.0 0.0 4.25 990 850 A 28 ARG HA A 29 VAL HB 1.0 0.0 4.61 991 851 A 29 VAL HB A 28 ARG HG2 1.0 0.0 5.50 992 851 A 28 ARG HG3 A 29 VAL HB 1.0 0.0 5.50 993 852 A 51 ARG HBy A 51 ARG HD2 1.0 0.0 3.95 994 852 A 51 ARG HD3 A 51 ARG HBy 1.0 0.0 3.95 995 853 A 13 VAL H A 13 VAL HB 1.0 0.0 2.95 996 854 A 47 GLU HGy A 47 GLU HB2 1.0 0.0 2.58 997 854 A 47 GLU HGy A 47 GLU HB3 1.0 0.0 2.58 998 855 A 30 ILE HG12 A 47 GLU HB2 1.0 0.0 4.67 999 855 A 30 ILE HG13 A 47 GLU HB2 1.0 0.0 4.67 1000 855 A 47 GLU HB3 A 30 ILE HG12 1.0 0.0 4.67 1001 855 A 30 ILE HG13 A 47 GLU HB3 1.0 0.0 4.67 1002 856 A 41 GLN HBx A 30 ILE HG2% 1.0 0.0 5.10 1003 857 A 29 VAL HB A 12 ASP HBy 1.0 0.0 3.43 1004 858 A 59 GLU H A 59 GLU HBy 1.0 0.0 3.87 1005 859 A 46 ARG HDx A 46 ARG HBy 1.0 0.0 4.23 1006 860 A 48 PHE HD% A 46 ARG HBy 1.0 0.0 4.81 1007 861 A 46 ARG HDy A 46 ARG HBy 1.0 0.0 3.80 1008 862 A 39 VAL HB A 30 ILE HG12 1.0 0.0 4.58 1009 862 A 39 VAL HB A 30 ILE HG13 1.0 0.0 4.58 1010 863 A 39 VAL HB A 40 VAL HGx% 1.0 0.0 5.13 1011 864 A 51 ARG HBx A 55 VAL HG1% 1.0 0.0 4.85 1012 864 A 55 VAL HG2% A 51 ARG HBx 1.0 0.0 4.85 1013 865 A 25 VAL HGy% A 26 ARG HBx 1.0 0.0 5.50 1014 866 A 26 ARG HBx A 43 ASP HB2 1.0 0.0 4.50 1015 866 A 43 ASP HB3 A 26 ARG HBx 1.0 0.0 4.50 1016 867 A 54 GLN HBy A 54 GLN HE22 1.0 0.0 4.77 1017 868 A 54 GLN HBy A 51 ARG HBx 1.0 0.0 5.18 1018 869 A 18 GLU HGx A 18 GLU HB2 1.0 0.0 2.96 1019 869 A 18 GLU HGx A 18 GLU HB3 1.0 0.0 2.96 1020 870 A 16 VAL HGx% A 18 GLU HB2 1.0 0.0 4.75 1021 870 A 18 GLU HB3 A 16 VAL HGy% 1.0 0.0 4.75 1022 870 A 18 GLU HB3 A 16 VAL HGx% 1.0 0.0 4.75 1023 870 A 16 VAL HGy% A 18 GLU HB2 1.0 0.0 4.75 1024 871 A 22 LEU HDx% A 18 GLU HB2 1.0 0.0 4.51 1025 871 A 18 GLU HB3 A 22 LEU HDx% 1.0 0.0 4.51 1026 872 A 9 GLN H A 9 GLN HBy 1.0 0.0 4.03 1027 873 A 10 PRO HDx A 9 GLN HBx 1.0 0.0 4.20 1028 874 A 25 VAL H A 24 TRP HBy 1.0 0.0 4.42 1029 875 A 24 TRP HE3 A 24 TRP HBy 1.0 0.0 4.07 1030 876 A 16 VAL H A 24 TRP HBx 1.0 0.0 4.93 1031 877 A 39 VAL H A 33 LYS HDx 1.0 0.0 4.94 1032 878 A 39 VAL HGx% A 33 LYS HDx 1.0 0.0 4.49 1033 879 A 33 LYS HDx A 38 VAL HG1% 1.0 0.0 5.46 1034 879 A 38 VAL HG2% A 33 LYS HDx 1.0 0.0 5.46 1035 880 A 58 ILE HD1% A 15 LYS HDy 1.0 0.0 4.66 1036 881 A 15 LYS H A 15 LYS HDy 1.0 0.0 4.53 1037 882 A 24 TRP HBx A 15 LYS HDx 1.0 0.0 4.53 1038 883 A 37 ARG HDx A 33 LYS HDy 1.0 0.0 4.71 1039 884 A 39 VAL HGx% A 33 LYS HDy 1.0 0.0 3.68 1040 885 A 31 ARG HGx A 33 LYS HDy 1.0 0.0 3.73 1041 886 A 33 LYS H A 33 LYS HDx 1.0 0.0 4.16 1042 887 A 31 ARG HA A 10 PRO HGx 1.0 0.0 4.17 1043 888 A 48 PHE HBy A 46 ARG HG2 1.0 0.0 3.86 1044 888 A 48 PHE HBy A 46 ARG HG3 1.0 0.0 3.86 1045 889 A 46 ARG HA A 46 ARG HG2 1.0 0.0 3.89 1046 889 A 46 ARG HA A 46 ARG HG3 1.0 0.0 3.89 1047 890 A 58 ILE HG2% A 58 ILE HG1x 1.0 0.0 4.23 1048 891 A 51 ARG H A 51 ARG HG2 1.0 0.0 3.84 1049 891 A 51 ARG H A 51 ARG HG3 1.0 0.0 3.84 1050 892 A 51 ARG HBx A 51 ARG HG2 1.0 0.0 2.41 1051 892 A 51 ARG HBx A 51 ARG HG3 1.0 0.0 2.41 1052 893 A 13 VAL HA A 28 ARG HG2 1.0 0.0 4.79 1053 893 A 28 ARG HG3 A 13 VAL HA 1.0 0.0 4.79 1054 894 A 13 VAL HB A 28 ARG HG2 1.0 0.0 3.31 1055 894 A 28 ARG HG3 A 13 VAL HB 1.0 0.0 3.31 1056 895 A 28 ARG HB3 A 28 ARG HG2 1.0 0.0 2.40 1057 895 A 28 ARG HB2 A 28 ARG HG2 1.0 0.0 2.40 1058 895 A 28 ARG HG3 A 28 ARG HB2 1.0 0.0 2.40 1059 895 A 28 ARG HG3 A 28 ARG HB3 1.0 0.0 2.40 1060 896 A 13 VAL HG1% A 28 ARG HG2 1.0 0.0 3.57 1061 896 A 13 VAL HG2% A 28 ARG HG2 1.0 0.0 3.57 1062 896 A 28 ARG HG3 A 13 VAL HG1% 1.0 0.0 3.57 1063 896 A 28 ARG HG3 A 13 VAL HG2% 1.0 0.0 3.57 1064 897 A 22 LEU H A 22 LEU HG 1.0 0.0 3.59 1065 898 A 34 SER H A 37 ARG HG2 1.0 0.0 4.73 1066 898 A 37 ARG HG3 A 34 SER H 1.0 0.0 4.73 1067 899 A 22 LEU HA A 22 LEU HG 1.0 0.0 3.61 1068 900 A 22 LEU HBy A 22 LEU HG 1.0 0.0 2.60 1069 901 A 56 ARG HGx A 56 ARG HA 1.0 0.0 3.69 1070 902 A 56 ARG HGy A 55 VAL HA 1.0 0.0 4.35 1071 903 A 39 VAL HGx% A 31 ARG HGy 1.0 0.0 4.23 1072 904 A 41 GLN H A 30 ILE HG12 1.0 0.0 4.01 1073 904 A 41 GLN H A 30 ILE HG13 1.0 0.0 4.01 1074 905 A 30 ILE H A 30 ILE HG12 1.0 0.0 3.37 1075 905 A 30 ILE H A 30 ILE HG13 1.0 0.0 3.37 1076 906 A 30 ILE HG2% A 30 ILE HG12 1.0 0.0 3.46 1077 906 A 30 ILE HG13 A 30 ILE HG2% 1.0 0.0 3.46 1078 907 A 8 LEU HBy A 8 LEU HG 1.0 0.0 2.59 1079 908 A 19 SER H A 17 LEU HG 1.0 0.0 4.02 1080 909 A 23 GLY HAy A 17 LEU HG 1.0 0.0 3.98 1081 910 A 31 ARG HGy A 30 ILE HG2% 1.0 0.0 5.03 1082 911 A 14 VAL HA A 15 LYS HGy 1.0 0.0 3.87 1083 912 A 22 LEU HDx% A 18 GLU HGy 1.0 0.0 3.66 1084 913 A 22 LEU HDx% A 22 LEU HBy 1.0 0.0 3.20 1085 914 A 57 LEU HDx% A 57 LEU HB2 1.0 0.0 3.16 1086 914 A 57 LEU HDx% A 57 LEU HB3 1.0 0.0 3.16 1087 915 A 24 TRP HE1 A 17 LEU HDx% 1.0 0.0 4.38 1088 916 A 27 ALA HB% A 41 GLN H 1.0 0.0 3.74 1089 917 A 27 ALA HB% A 40 VAL HB 1.0 0.0 3.10 1090 918 A 27 ALA HB% A 16 VAL HGy% 1.0 0.0 3.40 1091 918 A 27 ALA HB% A 16 VAL HGx% 1.0 0.0 3.40 1092 919 A 27 ALA HB% A 48 PHE HE% 1.0 0.0 4.35 1093 920 A 29 VAL HGx% A 12 ASP H 1.0 0.0 3.56 1094 921 A 29 VAL HGx% A 12 ASP HBy 1.0 0.0 3.73 1095 922 A 9 GLN H A 8 LEU HD1% 1.0 0.0 3.39 1096 922 A 9 GLN H A 8 LEU HD2% 1.0 0.0 3.39 1097 923 A 29 VAL HB A 8 LEU HD1% 1.0 0.0 3.39 1098 923 A 8 LEU HD2% A 29 VAL HB 1.0 0.0 3.39 1099 924 A 57 LEU HDy% A 57 LEU HB2 1.0 0.0 3.14 1100 924 A 57 LEU HB3 A 57 LEU HDy% 1.0 0.0 3.14 1101 925 A 29 VAL HGx% A 8 LEU HBx 1.0 0.0 3.68 1102 926 A 54 GLN HBx A 50 ALA HB% 1.0 0.0 3.75 1103 927 A 32 VAL HB A 38 VAL HG1% 1.0 0.0 3.28 1104 927 A 38 VAL HG2% A 32 VAL HB 1.0 0.0 3.28 1105 928 A 21 ALA HB% A 22 LEU HDy% 1.0 0.0 3.68 1106 929 A 15 LYS H A 14 VAL HGx% 1.0 0.0 4.04 1107 930 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.87 1108 931 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 3.12 1109 932 A 12 ASP HBx A 14 VAL HGx% 1.0 0.0 4.05 1110 933 A 58 ILE HD1% A 14 VAL HGx% 1.0 0.0 3.00 1111 934 A 54 GLN HBy A 50 ALA HB% 1.0 0.0 3.74 1112 935 A 50 ALA HB% A 55 VAL HB 1.0 0.0 4.44 1113 936 A 38 VAL H A 49 THR HG2% 1.0 0.0 3.69 1114 937 A 49 THR HG2% A 37 ARG HA 1.0 0.0 3.65 1115 938 A 49 THR HG2% A 37 ARG HBy 1.0 0.0 3.90 1116 939 A 49 THR HG2% A 37 ARG HDy 1.0 0.0 4.06 1117 940 A 15 LYS HA A 16 VAL HGy% 1.0 0.0 3.39 1118 940 A 15 LYS HA A 16 VAL HGx% 1.0 0.0 3.39 1119 941 A 16 VAL HGy% A 54 GLN HG2 1.0 0.0 5.02 1120 941 A 16 VAL HGx% A 54 GLN HG2 1.0 0.0 5.02 1121 941 A 54 GLN HG3 A 16 VAL HGy% 1.0 0.0 5.02 1122 941 A 54 GLN HG3 A 16 VAL HGx% 1.0 0.0 5.02 1123 942 A 14 VAL HB A 16 VAL HGy% 1.0 0.0 4.02 1124 942 A 14 VAL HB A 16 VAL HGx% 1.0 0.0 4.02 1125 943 A 50 ALA HB% A 16 VAL HGy% 1.0 0.0 3.74 1126 943 A 50 ALA HB% A 16 VAL HGx% 1.0 0.0 3.74 1127 944 A 14 VAL HGy% A 16 VAL HGy% 1.0 0.0 3.72 1128 944 A 14 VAL HGy% A 16 VAL HGx% 1.0 0.0 3.72 1129 945 A 48 PHE HE% A 16 VAL HGy% 1.0 0.0 3.84 1130 945 A 48 PHE HE% A 16 VAL HGx% 1.0 0.0 3.84 1131 946 A 40 VAL HGy% A 16 VAL HGy% 1.0 0.0 3.63 1132 946 A 40 VAL HGy% A 16 VAL HGx% 1.0 0.0 3.63 1133 947 A 24 TRP HE1 A 17 LEU HDy% 1.0 0.0 3.97 1134 948 A 19 SER H A 17 LEU HDy% 1.0 0.0 4.19 1135 949 A 17 LEU HDy% A 17 LEU HA 1.0 0.0 3.20 1136 950 A 17 LEU HDy% A 23 GLY HAx 1.0 0.0 3.57 1137 951 A 17 LEU HDy% A 17 LEU HBx 1.0 0.0 3.64 1138 952 A 24 TRP H A 17 LEU HDy% 1.0 0.0 4.30 1139 953 A 17 LEU HDy% A 24 TRP HA 1.0 0.0 4.09 1140 954 A 28 ARG HA A 13 VAL HG1% 1.0 0.0 3.57 1141 954 A 28 ARG HA A 13 VAL HG2% 1.0 0.0 3.57 1142 955 A 12 ASP HA A 13 VAL HG1% 1.0 0.0 3.63 1143 955 A 13 VAL HG2% A 12 ASP HA 1.0 0.0 3.63 1144 956 A 14 VAL HB A 55 VAL HG1% 1.0 0.0 3.32 1145 956 A 55 VAL HG2% A 14 VAL HB 1.0 0.0 3.32 1146 957 A 50 ALA HB% A 55 VAL HG1% 1.0 0.0 3.08 1147 957 A 55 VAL HG2% A 50 ALA HB% 1.0 0.0 3.08 1148 958 A 54 GLN HE21 A 55 VAL HG1% 1.0 0.0 3.95 1149 958 A 54 GLN HE21 A 55 VAL HG2% 1.0 0.0 3.95 1150 959 A 40 VAL H A 40 VAL HGx% 1.0 0.0 3.70 1151 960 A 32 VAL HA A 29 VAL HGy% 1.0 0.0 4.25 1152 961 A 40 VAL HGx% A 50 ALA HB% 1.0 0.0 4.38 1153 962 A 24 TRP H A 25 VAL HGx% 1.0 0.0 4.09 1154 963 A 25 VAL HA A 25 VAL HGx% 1.0 0.0 3.27 1155 964 A 13 VAL HG1% A 26 ARG HD2 1.0 0.0 3.59 1156 964 A 13 VAL HG2% A 26 ARG HD2 1.0 0.0 3.59 1157 964 A 26 ARG HD3 A 13 VAL HG1% 1.0 0.0 3.59 1158 964 A 26 ARG HD3 A 13 VAL HG2% 1.0 0.0 3.59 1159 965 A 32 VAL HGx% A 38 VAL HB 1.0 0.0 4.34 1160 966 A 32 VAL H A 32 VAL HGy% 1.0 0.0 3.05 1161 967 A 32 VAL HA A 32 VAL HGy% 1.0 0.0 3.10 1162 968 A 30 ILE H A 39 VAL HGy% 1.0 0.0 3.12 1163 969 A 30 ILE H A 29 VAL HGy% 1.0 0.0 3.56 1164 970 A 11 GLY H A 29 VAL HGy% 1.0 0.0 4.06 1165 971 A 41 GLN H A 40 VAL HGx% 1.0 0.0 3.97 1166 972 A 29 VAL HA A 29 VAL HGy% 1.0 0.0 3.04 1167 973 A 29 VAL HGy% A 38 VAL HB 1.0 0.0 3.67 1168 974 A 31 ARG HA A 29 VAL HGy% 1.0 0.0 3.82 1169 975 A 29 VAL HGy% A 8 LEU HBx 1.0 0.0 3.86 1170 976 A 39 VAL HGx% A 49 THR HA 1.0 0.0 3.55 1171 977 A 39 VAL HGx% A 33 LYS HE2 1.0 0.0 3.56 1172 977 A 39 VAL HGx% A 33 LYS HE3 1.0 0.0 3.56 1173 978 A 49 THR HG2% A 39 VAL HGx% 1.0 0.0 3.92 1174 979 A 39 VAL HGy% A 39 VAL HA 1.0 0.0 3.10 1175 980 A 30 ILE HD1% A 39 VAL HGy% 1.0 0.0 4.11 1176 981 A 39 VAL HGy% A 40 VAL HGx% 1.0 0.0 4.22 1177 982 A 25 VAL HGy% A 16 VAL HB 1.0 0.0 4.18 1178 983 A 25 VAL HGy% A 18 GLU HB2 1.0 0.0 3.87 1179 983 A 25 VAL HGy% A 18 GLU HB3 1.0 0.0 3.87 1180 984 A 25 VAL HGy% A 16 VAL HGy% 1.0 0.0 4.32 1181 984 A 25 VAL HGy% A 16 VAL HGx% 1.0 0.0 4.32 1182 985 A 14 VAL HGy% A 28 ARG HA 1.0 0.0 3.96 1183 986 A 14 VAL HGy% A 28 ARG H 1.0 0.0 4.88 1184 987 A 14 VAL HGy% A 55 VAL HB 1.0 0.0 4.32 1185 988 A 21 ALA H A 20 ALA HB% 1.0 0.0 3.79 1186 989 A 58 ILE HG2% A 15 LYS HGy 1.0 0.0 4.00 1187 990 A 58 ILE HG2% A 15 LYS HEx 1.0 0.0 3.53 1188 991 A 14 VAL HGy% A 57 LEU HA 1.0 0.0 4.73 1189 992 A 50 ALA H A 40 VAL HGy% 1.0 0.0 4.26 1190 993 A 40 VAL HGy% A 40 VAL H 1.0 0.0 3.19 1191 994 A 40 VAL HGy% A 48 PHE H 1.0 0.0 3.82 1192 995 A 40 VAL HGy% A 40 VAL HA 1.0 0.0 3.99 1193 996 A 40 VAL HGy% A 30 ILE HG12 1.0 0.0 4.65 1194 996 A 40 VAL HGy% A 30 ILE HG13 1.0 0.0 4.65 1195 997 A 40 VAL HGy% A 39 VAL HA 1.0 0.0 4.38 1196 998 A 30 ILE HA A 30 ILE HG2% 1.0 0.0 3.32 1197 999 A 15 LYS H A 58 ILE HD1% 1.0 0.0 3.75 1198 1000 A 58 ILE HD1% A 58 ILE HB 1.0 0.0 3.38 1199 1001 A 58 ILE HD1% A 15 LYS HDx 1.0 0.0 4.02 1200 1002 A 30 ILE HD1% A 41 GLN H 1.0 0.0 4.17 1201 1003 A 30 ILE HD1% A 30 ILE HA 1.0 0.0 3.09 1202 1004 A 30 ILE HD1% A 28 ARG HD2 1.0 0.0 4.33 1203 1004 A 30 ILE HD1% A 28 ARG HD3 1.0 0.0 4.33 1204 1005 A 30 ILE HD1% A 41 GLN HGx 1.0 0.0 4.47 1205 1006 A 30 ILE HD1% A 41 GLN HBy 1.0 0.0 3.70 1206 1007 A 30 ILE HD1% A 41 GLN HBx 1.0 0.0 3.65 1207 1008 A 30 ILE HD1% A 28 ARG HB2 1.0 0.0 3.74 1208 1008 A 30 ILE HD1% A 28 ARG HB3 1.0 0.0 3.74 1209 1009 A 30 ILE HD1% A 30 ILE HG2% 1.0 0.0 3.23 1210 1010 A 30 ILE HD1% A 28 ARG HA 1.0 0.0 4.60 1211 1011 A 17 LEU H A 24 TRP HA 1.0 0.0 5.43 1212 1012 A 17 LEU H A 54 GLN HA 1.0 0.0 4.65 1213 1013 A 17 LEU H A 17 LEU HBy 1.0 0.0 3.47 1214 1014 A 17 LEU H A 16 VAL HGx% 1.0 0.0 3.97 1215 1015 A 55 VAL H A 17 LEU H 1.0 0.0 5.34 1216 1016 A 50 ALA H A 49 THR H 1.0 0.0 4.96 1217 1017 A 50 ALA H A 38 VAL HB 1.0 0.0 4.67 1218 1018 A 58 ILE H A 59 GLU H 1.0 0.0 4.13 1219 1019 A 59 GLU H A 59 GLU HG2 1.0 0.0 4.11 1220 1019 A 59 GLU H A 59 GLU HG3 1.0 0.0 4.11 1221 1020 A 59 GLU H A 57 LEU HB2 1.0 0.0 4.36 1222 1020 A 59 GLU H A 57 LEU HB3 1.0 0.0 4.36 1223 1021 A 59 GLU H A 58 ILE HG2% 1.0 0.0 4.03 1224 1022 A 18 GLU H A 24 TRP HA 1.0 0.0 3.97 1225 1023 A 18 GLU H A 18 GLU HGx 1.0 0.0 4.69 1226 1024 A 18 GLU H A 25 VAL HGx% 1.0 0.0 4.86 1227 1025 A 48 PHE HD% A 47 GLU H 1.0 0.0 5.50 1228 1026 A 47 GLU H A 46 ARG HG2 1.0 0.0 4.40 1229 1026 A 47 GLU H A 46 ARG HG3 1.0 0.0 4.40 1230 1027 A 39 VAL H A 49 THR HA 1.0 0.0 5.45 1231 1028 A 39 VAL H A 31 ARG HGx 1.0 0.0 4.81 1232 1029 A 39 VAL H A 38 VAL HG1% 1.0 0.0 3.73 1233 1029 A 39 VAL H A 38 VAL HG2% 1.0 0.0 3.73 1234 1030 A 39 VAL H A 32 VAL HA 1.0 0.0 3.53 1235 1031 A 39 VAL HB A 39 VAL H 1.0 0.0 3.61 1236 1032 A 33 LYS H A 33 LYS HBy 1.0 0.0 3.69 1237 1033 A 33 LYS H A 37 ARG HBy 1.0 0.0 4.68 1238 1034 A 33 LYS H A 31 ARG HGx 1.0 0.0 3.93 1239 1035 A 32 VAL HGx% A 33 LYS H 1.0 0.0 3.90 1240 1036 A 33 LYS H A 33 LYS HE2 1.0 0.0 5.30 1241 1036 A 33 LYS H A 33 LYS HE3 1.0 0.0 5.30 1242 1037 A 27 ALA H A 13 VAL HA 1.0 0.0 4.74 1243 1038 A 27 ALA H A 26 ARG HBy 1.0 0.0 4.17 1244 1039 A 27 ALA H A 16 VAL HGx% 1.0 0.0 5.12 1245 1040 A 26 ARG H A 42 SER HA 1.0 0.0 5.50 1246 1041 A 26 ARG H A 26 ARG HD2 1.0 0.0 5.14 1247 1041 A 26 ARG H A 26 ARG HD3 1.0 0.0 5.14 1248 1042 A 26 ARG H A 25 VAL HGx% 1.0 0.0 3.94 1249 1043 A 56 ARG H A 15 LYS H 1.0 0.0 3.86 1250 1044 A 56 ARG H A 56 ARG HGy 1.0 0.0 4.56 1251 1045 A 56 ARG H A 56 ARG HBx 1.0 0.0 3.57 1252 1046 A 56 ARG H A 14 VAL HGy% 1.0 0.0 5.37 1253 1047 A 42 SER H A 43 ASP H 1.0 0.0 5.07 1254 1048 A 7 ASP H A 8 LEU HA 1.0 0.0 5.50 1255 1049 A 7 ASP H A 8 LEU HD1% 1.0 0.0 4.54 1256 1049 A 7 ASP H A 8 LEU HD2% 1.0 0.0 4.54 1257 1050 A 29 VAL H A 28 ARG HD2 1.0 0.0 5.15 1258 1050 A 29 VAL H A 28 ARG HD3 1.0 0.0 5.15 1259 1051 A 29 VAL H A 13 VAL HG1% 1.0 0.0 5.50 1260 1051 A 29 VAL H A 13 VAL HG2% 1.0 0.0 5.50 1261 1052 A 43 ASP H A 44 GLN H 1.0 0.0 4.31 1262 1053 A 43 ASP H A 42 SER HBy 1.0 0.0 3.26 1263 1054 A 32 VAL H A 31 ARG HBy 1.0 0.0 4.23 1264 1055 A 32 VAL H A 29 VAL HGy% 1.0 0.0 5.13 1265 1056 A 12 ASP H A 13 VAL HG1% 1.0 0.0 5.50 1266 1056 A 12 ASP H A 13 VAL HG2% 1.0 0.0 5.50 1267 1057 A 40 VAL H A 48 PHE H 1.0 0.0 3.31 1268 1058 A 48 PHE H A 49 THR H 1.0 0.0 5.31 1269 1059 A 48 PHE H A 39 VAL HA 1.0 0.0 4.78 1270 1060 A 48 PHE H A 47 GLU HB2 1.0 0.0 3.58 1271 1060 A 48 PHE H A 47 GLU HB3 1.0 0.0 3.58 1272 1061 A 48 PHE H A 40 VAL HGx% 1.0 0.0 5.50 1273 1062 A 12 ASP H A 9 GLN HBy 1.0 0.0 5.50 1274 1063 A 12 ASP H A 9 GLN HBx 1.0 0.0 5.50 1275 1064 A 12 ASP H A 8 LEU HD1% 1.0 0.0 4.30 1276 1064 A 12 ASP H A 8 LEU HD2% 1.0 0.0 4.30 1277 1065 A 12 ASP H A 13 VAL HA 1.0 0.0 5.50 1278 1066 A 13 VAL H A 8 LEU HD1% 1.0 0.0 4.93 1279 1066 A 13 VAL H A 8 LEU HD2% 1.0 0.0 4.93 1280 1067 A 12 ASP H A 29 VAL HA 1.0 0.0 5.37 1281 1068 A 57 LEU H A 56 ARG HDy 1.0 0.0 5.50 1282 1069 A 57 LEU H A 59 GLU HG2 1.0 0.0 5.50 1283 1069 A 57 LEU H A 59 GLU HG3 1.0 0.0 5.50 1284 1070 A 57 LEU H A 55 VAL HB 1.0 0.0 5.50 1285 1071 A 58 ILE H A 14 VAL HA 1.0 0.0 3.95 1286 1072 A 58 ILE H A 58 ILE HB 1.0 0.0 3.67 1287 1073 A 6 LEU H A 5 GLU HG2 1.0 0.0 5.50 1288 1073 A 6 LEU H A 5 GLU HG3 1.0 0.0 5.50 1289 1074 A 57 LEU H A 56 ARG HBx 1.0 0.0 4.25 1290 1075 A 58 ILE H A 14 VAL HB 1.0 0.0 5.50 1291 1076 A 57 LEU H A 14 VAL HB 1.0 0.0 5.50 1292 1077 A 6 LEU H A 5 GLU H 1.0 0.0 4.35 1293 1078 A 5 GLU H A 5 GLU HBy 1.0 0.0 3.87 1294 1079 A 8 LEU H A 9 GLN HE21 1.0 0.0 4.44 1295 1080 A 40 VAL H A 49 THR HA 1.0 0.0 3.88 1296 1081 A 40 VAL H A 47 GLU HGy 1.0 0.0 5.39 1297 1082 A 39 VAL HGy% A 40 VAL H 1.0 0.0 3.77 1298 1083 A 16 VAL H A 25 VAL H 1.0 0.0 3.53 1299 1084 A 25 VAL H A 25 VAL HGx% 1.0 0.0 3.46 1300 1085 A 25 VAL H A 16 VAL HGx% 1.0 0.0 4.99 1301 1086 A 25 VAL H A 17 LEU HDy% 1.0 0.0 5.50 1302 1087 A 46 ARG H A 42 SER HBx 1.0 0.0 4.83 1303 1088 A 46 ARG H A 46 ARG HBy 1.0 0.0 3.30 1304 1089 A 46 ARG H A 46 ARG HBx 1.0 0.0 3.34 1305 1090 A 46 ARG H A 46 ARG HG2 1.0 0.0 4.89 1306 1090 A 46 ARG H A 46 ARG HG3 1.0 0.0 4.89 1307 1091 A 9 GLN H A 12 ASP HBy 1.0 0.0 3.99 1308 1092 A 9 GLN H A 8 LEU HBy 1.0 0.0 4.09 1309 1093 A 9 GLN H A 29 VAL HGy% 1.0 0.0 5.11 1310 1094 A 38 VAL H A 49 THR HB 1.0 0.0 5.04 1311 1095 A 16 VAL H A 25 VAL HB 1.0 0.0 5.50 1312 1096 A 16 VAL H A 15 LYS HBx 1.0 0.0 4.33 1313 1097 A 16 VAL H A 15 LYS HGy 1.0 0.0 5.50 1314 1098 A 16 VAL H A 14 VAL HGy% 1.0 0.0 5.50 1315 1099 A 38 VAL H A 49 THR HA 1.0 0.0 4.78 1316 1100 A 38 VAL H A 38 VAL HB 1.0 0.0 3.66 1317 1101 A 38 VAL H A 37 ARG HBx 1.0 0.0 3.74 1318 1102 A 38 VAL H A 50 ALA HB% 1.0 0.0 4.82 1319 1103 A 38 VAL H A 37 ARG HDy 1.0 0.0 5.34 1320 1104 A 16 VAL H A 15 LYS H 1.0 0.0 4.92 1321 1105 A 16 VAL H A 17 LEU H 1.0 0.0 5.05 1322 1106 A 16 VAL H A 26 ARG HA 1.0 0.0 4.29 1323 1107 A 16 VAL H A 15 LYS HBy 1.0 0.0 4.17 1324 1108 A 16 VAL H A 16 VAL HGx% 1.0 0.0 3.88 1325 1109 A 38 VAL H A 37 ARG HBy 1.0 0.0 4.50 1326 1110 A 14 VAL H A 26 ARG HA 1.0 0.0 4.93 1327 1111 A 14 VAL H A 13 VAL HB 1.0 0.0 4.64 1328 1112 A 14 VAL H A 13 VAL HG1% 1.0 0.0 3.62 1329 1112 A 14 VAL H A 13 VAL HG2% 1.0 0.0 3.62 1330 1113 A 14 VAL H A 58 ILE HD1% 1.0 0.0 4.61 1331 1114 A 4 MET H A 4 MET HGx 1.0 0.0 4.83 1332 1115 A 4 MET H A 3 ALA H 1.0 0.0 4.02 1333 1116 A 51 ARG H A 51 ARG HBy 1.0 0.0 4.09 1334 1117 A 51 ARG H A 54 GLN HBx 1.0 0.0 3.72 1335 1118 A 51 ARG H A 55 VAL HG1% 1.0 0.0 5.27 1336 1118 A 51 ARG H A 55 VAL HG2% 1.0 0.0 5.27 1337 1119 A 51 ARG H A 51 ARG HD2 1.0 0.0 4.99 1338 1119 A 51 ARG H A 51 ARG HD3 1.0 0.0 4.99 1339 1120 A 52 GLY H A 54 GLN H 1.0 0.0 5.50 1340 1121 A 54 GLN H A 55 VAL HA 1.0 0.0 5.33 1341 1122 A 54 GLN H A 53 ASN HD21 1.0 0.0 4.92 1342 1123 A 54 GLN H A 52 GLY HAy 1.0 0.0 4.78 1343 1124 A 21 ALA H A 23 GLY H 1.0 0.0 5.50 1344 1125 A 42 SER H A 28 ARG H 1.0 0.0 5.46 1345 1126 A 40 VAL HGy% A 28 ARG H 1.0 0.0 5.50 1346 1127 A 28 ARG H A 41 GLN HBx 1.0 0.0 4.91 1347 1128 A 28 ARG H A 28 ARG HD2 1.0 0.0 4.88 1348 1128 A 28 ARG H A 28 ARG HD3 1.0 0.0 4.88 1349 1129 A 28 ARG H A 28 ARG HB2 1.0 0.0 3.28 1350 1129 A 28 ARG H A 28 ARG HB3 1.0 0.0 3.28 1351 1130 A 41 GLN HBy A 28 ARG H 1.0 0.0 5.16 1352 1131 A 28 ARG H A 40 VAL HGx% 1.0 0.0 5.17 1353 1132 A 28 ARG H A 41 GLN HGy 1.0 0.0 5.50 1354 1133 A 37 ARG H A 36 GLY H 1.0 0.0 3.31 1355 1134 A 37 ARG H A 37 ARG HBy 1.0 0.0 2.99 1356 1135 A 30 ILE H A 41 GLN H 1.0 0.0 4.44 1357 1136 A 41 GLN H A 41 GLN HGy 1.0 0.0 5.25 1358 1137 A 41 GLN HBy A 41 GLN H 1.0 0.0 3.67 1359 1138 A 41 GLN H A 41 GLN HBx 1.0 0.0 3.90 1360 1139 A 41 GLN H A 30 ILE HG2% 1.0 0.0 5.27 1361 1140 A 22 LEU H A 20 ALA HA 1.0 0.0 5.08 1362 1141 A 37 ARG H A 33 LYS HBy 1.0 0.0 4.96 1363 1142 A 41 GLN H A 27 ALA HA 1.0 0.0 5.49 1364 1143 A 22 LEU HDx% A 22 LEU H 1.0 0.0 4.42 1365 1144 A 21 ALA H A 22 LEU H 1.0 0.0 3.97 1366 1145 A 15 LYS H A 57 LEU HA 1.0 0.0 4.55 1367 1146 A 15 LYS H A 58 ILE H 1.0 0.0 5.00 1368 1147 A 15 LYS H A 55 VAL HA 1.0 0.0 5.50 1369 1148 A 15 LYS H A 15 LYS HGx 1.0 0.0 4.16 1370 1149 A 27 ALA HB% A 15 LYS H 1.0 0.0 5.50 1371 1150 A 15 LYS H A 26 ARG HA 1.0 0.0 5.50 1372 1151 A 55 VAL H A 53 ASN HA 1.0 0.0 4.39 1373 1152 A 55 VAL H A 50 ALA HB% 1.0 0.0 5.50 1374 1153 A 55 VAL H A 56 ARG HGx 1.0 0.0 5.33 1375 1154 A 55 VAL H A 53 ASN H 1.0 0.0 5.49 1376 1155 A 44 GLN H A 44 GLN HBx 1.0 0.0 4.01 1377 1156 A 49 THR H A 39 VAL HA 1.0 0.0 5.27 1378 1157 A 53 ASN H A 53 ASN HD21 1.0 0.0 5.44 1379 1158 A 53 ASN H A 51 ARG HBy 1.0 0.0 4.61 1380 1159 A 53 ASN H A 51 ARG HBx 1.0 0.0 5.06 1381 1160 A 34 SER H A 37 ARG HBy 1.0 0.0 5.50 1382 1161 A 34 SER H A 33 LYS HG2 1.0 0.0 5.20 1383 1161 A 33 LYS HG3 A 34 SER H 1.0 0.0 5.20 1384 1162 A 11 GLY H A 29 VAL HA 1.0 0.0 4.92 1385 1163 A 11 GLY H A 8 LEU HD1% 1.0 0.0 5.29 1386 1163 A 11 GLY H A 8 LEU HD2% 1.0 0.0 5.29 1387 1164 A 11 GLY H A 28 ARG HD2 1.0 0.0 5.50 1388 1164 A 11 GLY H A 28 ARG HD3 1.0 0.0 5.50 1389 1165 A 11 GLY H A 28 ARG HB2 1.0 0.0 5.37 1390 1165 A 11 GLY H A 28 ARG HB3 1.0 0.0 5.37 1391 1166 A 9 GLN HE21 A 9 GLN HBy 1.0 0.0 5.50 1392 1167 A 9 GLN HE21 A 9 GLN HBx 1.0 0.0 5.50 1393 1168 A 8 LEU H A 9 GLN HE22 1.0 0.0 5.37 1394 1169 A 9 GLN HA A 9 GLN HE22 1.0 0.0 5.44 1395 1170 A 54 GLN HE21 A 16 VAL HGx% 1.0 0.0 5.50 1396 1171 A 54 GLN HE21 A 50 ALA HA 1.0 0.0 4.86 1397 1172 A 50 ALA HA A 54 GLN HE22 1.0 0.0 5.50 1398 1173 A 54 GLN HE22 A 51 ARG HBx 1.0 0.0 5.50 1399 1174 A 41 GLN HE21 A 30 ILE HG2% 1.0 0.0 5.50 1400 1175 A 41 GLN HE22 A 41 GLN HBx 1.0 0.0 5.50 1401 1176 A 45 GLY HAx A 41 GLN HE21 1.0 0.0 5.40 1402 1177 A 53 ASN H A 53 ASN HD22 1.0 0.0 5.50 1403 1178 A 55 VAL H A 53 ASN HD21 1.0 0.0 5.50 1404 1179 A 53 ASN HA A 53 ASN HD22 1.0 0.0 3.53 1405 1180 A 52 GLY H A 51 ARG HBx 1.0 0.0 4.25 1406 1181 A 52 GLY H A 38 VAL HG1% 1.0 0.0 5.05 1407 1181 A 52 GLY H A 38 VAL HG2% 1.0 0.0 5.05 1408 1182 A 34 SER HA A 36 GLY H 1.0 0.0 4.93 1409 1183 A 36 GLY H A 35 GLY H 1.0 0.0 5.20 1410 1184 A 37 ARG HBy A 36 GLY H 1.0 0.0 5.50 1411 1185 A 19 SER H A 23 GLY H 1.0 0.0 4.42 1412 1186 A 19 SER H A 18 GLU HGy 1.0 0.0 3.56 1413 1187 A 19 SER H A 22 LEU HDx% 1.0 0.0 5.06 1414 1188 A 42 SER H A 45 GLY H 1.0 0.0 4.92 1415 1189 A 43 ASP H A 45 GLY H 1.0 0.0 5.04 1416 1190 A 45 GLY H A 44 GLN H 1.0 0.0 3.64 1417 1191 A 45 GLY H A 41 GLN HGy 1.0 0.0 4.51 1418 1192 A 45 GLY H A 44 GLN HBx 1.0 0.0 4.42 1419 1193 A 23 GLY H A 22 LEU H 1.0 0.0 3.11 1420 1194 A 23 GLY H A 22 LEU HBy 1.0 0.0 3.94 1421 1195 A 23 GLY H A 22 LEU HDx% 1.0 0.0 5.25 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 1 SER N A 1 SER CA A 1 SER C A 2 ASN N 1.0 -85.0 205.0 PSI 2 2 A 2 ASN N A 2 ASN CA A 2 ASN CB A 2 ASN CG 1.0 -225.0 115.0 CHI1 3 3 A 2 ASN N A 2 ASN CA A 2 ASN C A 3 ALA N 1.0 -85.0 205.0 PSI 4 4 A 3 ALA N A 3 ALA CA A 3 ALA C A 4 MET N 1.0 -85.0 155.0 PSI 5 5 A 4 MET N A 4 MET CA A 4 MET C A 5 GLU N 1.0 -25.0 205.0 PSI 6 6 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 ASP N 1.0 -115.0 115.0 PSI 7 7 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 SER N 1.0 -85.0 95.0 PSI 8 8 A 19 SER N A 19 SER CA A 19 SER C A 20 ALA N 1.0 -85.0 205.0 PSI 9 9 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 ALA N 1.0 -85.0 205.0 PSI 10 10 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 LEU N 1.0 -85.0 145.0 PSI 11 11 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 GLY N 1.0 -85.0 25.0 PSI 12 12 A 34 SER N A 34 SER CA A 34 SER C A 35 GLY N 1.0 -85.0 205.0 PSI 13 13 A 36 GLY N A 36 GLY CA A 36 GLY C A 37 ARG N 1.0 -115.0 115.0 PSI 14 14 A 42 SER N A 42 SER CA A 42 SER CB A 42 SER OG 1.0 -185.0 145.0 CHI1 15 15 A 43 ASP N A 43 ASP CA A 43 ASP CB A 43 ASP CG 1.0 -225.0 115.0 CHI1 16 16 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 GLN N 1.0 -85.0 205.0 PSI 17 17 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 GLY N 1.0 -85.0 125.0 PSI 18 18 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 ARG N 1.0 -115.0 115.0 PSI 19 19 A 53 ASN N A 53 ASN CA A 53 ASN CB A 53 ASN CG 1.0 -225.0 115.0 CHI1 20 20 A 53 ASN N A 53 ASN CA A 53 ASN C A 54 GLN N 1.0 -85.0 205.0 PSI 21 21 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 VAL N 1.0 -85.0 75.0 PSI 22 22 A 57 LEU N A 57 LEU CA A 57 LEU CB A 57 LEU CG 1.0 -225.0 105.0 CHI1 stop_ save_