data_nef_c18352_2lr8 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 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 HIS middle . . 3 A 3 MET middle . . 4 A 4 LYS middle . . 5 A 5 ASN middle . . 6 A 6 VAL middle . . 7 A 7 ILE middle . . 8 A 8 LYS middle . . 9 A 9 LYS middle . . 10 A 10 LYS middle . . 11 A 11 GLY middle . false 12 A 12 GLU middle . . 13 A 13 ILE middle . . 14 A 14 ILE middle . . 15 A 15 ILE middle . . 16 A 16 LEU middle . . 17 A 17 TRP middle . . 18 A 18 THR middle . . 19 A 19 ARG middle . . 20 A 20 ASN middle . . 21 A 21 ASP middle . . 22 A 22 ASP middle . . 23 A 23 ARG middle . . 24 A 24 VAL middle . . 25 A 25 ILE middle . . 26 A 26 LEU middle . . 27 A 27 LEU middle . . 28 A 28 GLU middle . . 29 A 29 CYS middle . . 30 A 30 GLN middle . . 31 A 31 LYS middle . . 32 A 32 ARG middle . . 33 A 33 GLY middle . false 34 A 34 PRO middle . false 35 A 35 SER middle . . 36 A 36 SER middle . . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 PHE middle . . 40 A 40 ALA middle . . 41 A 41 TYR middle . . 42 A 42 LEU middle . . 43 A 43 ALA middle . . 44 A 44 ALA middle . . 45 A 45 LYS middle . . 46 A 46 LEU middle . . 47 A 47 ASP middle . . 48 A 48 LYS middle . . 49 A 49 ASN middle . . 50 A 50 PRO middle . false 51 A 51 ASN middle . . 52 A 52 GLN middle . . 53 A 53 VAL middle . . 54 A 54 SER middle . . 55 A 55 GLU middle . . 56 A 56 ARG middle . . 57 A 57 PHE middle . . 58 A 58 GLN middle . . 59 A 59 GLN middle . . 60 A 60 LEU middle . . 61 A 61 MET middle . . 62 A 62 LYS middle . . 63 A 63 LEU middle . . 64 A 64 PHE middle . . 65 A 65 GLU middle . . 66 A 66 LYS middle . . 67 A 67 SER middle . . 68 A 68 LYS middle . . 69 A 69 CYS middle . . 70 A 70 ARG 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 5 ASN HA H 1 4.682 0.020 A 5 ASN HB2 H 1 2.734 0.020 A 5 ASN HB3 H 1 2.734 0.020 A 5 ASN HD2x H 1 6.892 0.020 A 5 ASN HD2y H 1 7.582 0.020 A 5 ASN C C 13 174.605 0.400 A 5 ASN CA C 13 53.170 0.400 A 5 ASN CB C 13 38.729 0.400 A 5 ASN ND2 N 15 112.781 0.400 A 6 VAL H H 1 8.054 0.020 A 6 VAL HA H 1 4.100 0.020 A 6 VAL HB H 1 2.035 0.020 A 6 VAL HG1% H 1 0.885 0.020 A 6 VAL HG2% H 1 0.903 0.020 A 6 VAL C C 13 175.810 0.400 A 6 VAL CA C 13 62.194 0.400 A 6 VAL CB C 13 32.594 0.400 A 6 VAL CG1 C 13 20.971 0.400 A 6 VAL CG2 C 13 20.599 0.400 A 6 VAL N N 15 120.809 0.400 A 7 ILE H H 1 8.261 0.020 A 7 ILE HA H 1 4.137 0.020 A 7 ILE HB H 1 1.799 0.020 A 7 ILE HD1% H 1 0.817 0.020 A 7 ILE HG1y H 1 1.459 0.020 A 7 ILE HG1x H 1 1.167 0.020 A 7 ILE HG2% H 1 0.814 0.020 A 7 ILE C C 13 175.970 0.400 A 7 ILE CA C 13 60.739 0.400 A 7 ILE CB C 13 38.439 0.400 A 7 ILE CD1 C 13 12.468 0.400 A 7 ILE CG1 C 13 27.219 0.400 A 7 ILE CG2 C 13 17.240 0.400 A 7 ILE N N 15 125.767 0.400 A 8 LYS H H 1 8.383 0.020 A 8 LYS HA H 1 4.315 0.020 A 8 LYS HB2 H 1 1.712 0.020 A 8 LYS HB3 H 1 1.712 0.020 A 8 LYS HD2 H 1 1.666 0.020 A 8 LYS HD3 H 1 1.666 0.020 A 8 LYS HE2 H 1 2.977 0.020 A 8 LYS HE3 H 1 2.977 0.020 A 8 LYS HG2 H 1 1.550 0.020 A 8 LYS HG3 H 1 1.550 0.020 A 8 LYS C C 13 176.190 0.400 A 8 LYS CA C 13 55.875 0.400 A 8 LYS CB C 13 33.212 0.400 A 8 LYS CD C 13 29.013 0.400 A 8 LYS CE C 13 41.933 0.400 A 8 LYS CG C 13 24.556 0.400 A 8 LYS N N 15 126.858 0.400 A 9 LYS H H 1 8.394 0.020 A 9 LYS HA H 1 4.276 0.020 A 9 LYS HBy H 1 1.770 0.020 A 9 LYS HBx H 1 1.703 0.020 A 9 LYS HD2 H 1 1.534 0.020 A 9 LYS HD3 H 1 1.534 0.020 A 9 LYS HE2 H 1 3.004 0.020 A 9 LYS HE3 H 1 3.004 0.020 A 9 LYS HG2 H 1 1.425 0.020 A 9 LYS HG3 H 1 1.425 0.020 A 9 LYS C C 13 176.382 0.400 A 9 LYS CA C 13 55.983 0.400 A 9 LYS CB C 13 33.182 0.400 A 9 LYS CD C 13 28.997 0.400 A 9 LYS CE C 13 41.958 0.400 A 9 LYS CG C 13 24.587 0.400 A 9 LYS N N 15 123.748 0.400 A 10 LYS H H 1 8.462 0.020 A 10 LYS HA H 1 4.237 0.020 A 10 LYS HB2 H 1 1.800 0.020 A 10 LYS HB3 H 1 1.800 0.020 A 10 LYS HD2 H 1 1.796 0.020 A 10 LYS HD3 H 1 1.796 0.020 A 10 LYS HE2 H 1 3.028 0.020 A 10 LYS HE3 H 1 3.028 0.020 A 10 LYS HG2 H 1 1.418 0.020 A 10 LYS HG3 H 1 1.418 0.020 A 10 LYS C C 13 177.059 0.400 A 10 LYS CA C 13 57.044 0.400 A 10 LYS CB C 13 32.833 0.400 A 10 LYS CD C 13 28.925 0.400 A 10 LYS CE C 13 41.929 0.400 A 10 LYS CG C 13 24.556 0.400 A 10 LYS N N 15 123.700 0.400 A 11 GLY H H 1 8.471 0.020 A 11 GLY HA2 H 1 3.927 0.020 A 11 GLY HA3 H 1 3.927 0.020 A 11 GLY C C 13 173.782 0.400 A 11 GLY CA C 13 45.159 0.400 A 11 GLY N N 15 110.533 0.400 A 12 GLU H H 1 8.120 0.020 A 12 GLU HA H 1 4.305 0.020 A 12 GLU HBy H 1 1.999 0.020 A 12 GLU HBx H 1 1.895 0.020 A 12 GLU HGx H 1 2.198 0.020 A 12 GLU HGy H 1 2.384 0.020 A 12 GLU C C 13 176.120 0.400 A 12 GLU CA C 13 56.174 0.400 A 12 GLU CB C 13 30.436 0.400 A 12 GLU CG C 13 36.029 0.400 A 12 GLU N N 15 120.874 0.400 A 13 ILE H H 1 8.263 0.020 A 13 ILE HA H 1 4.127 0.020 A 13 ILE HB H 1 1.788 0.020 A 13 ILE HD1% H 1 0.826 0.020 A 13 ILE HG1y H 1 1.460 0.020 A 13 ILE HG1x H 1 1.164 0.020 A 13 ILE HG2% H 1 0.840 0.020 A 13 ILE C C 13 175.760 0.400 A 13 ILE CA C 13 60.951 0.400 A 13 ILE CB C 13 38.568 0.400 A 13 ILE CD1 C 13 12.801 0.400 A 13 ILE CG1 C 13 27.255 0.400 A 13 ILE CG2 C 13 17.229 0.400 A 13 ILE N N 15 123.071 0.400 A 14 ILE H H 1 8.268 0.020 A 14 ILE HA H 1 4.154 0.020 A 14 ILE HB H 1 1.786 0.020 A 14 ILE HD1% H 1 0.837 0.020 A 14 ILE HG1y H 1 1.465 0.020 A 14 ILE HG1x H 1 1.158 0.020 A 14 ILE HG2% H 1 0.816 0.020 A 14 ILE C C 13 175.541 0.400 A 14 ILE CA C 13 60.489 0.400 A 14 ILE CB C 13 38.654 0.400 A 14 ILE CD1 C 13 12.520 0.400 A 14 ILE CG1 C 13 27.294 0.400 A 14 ILE CG2 C 13 17.293 0.400 A 14 ILE N N 15 126.880 0.400 A 15 ILE H H 1 8.308 0.020 A 15 ILE HA H 1 3.943 0.020 A 15 ILE HB H 1 1.638 0.020 A 15 ILE HD1% H 1 0.699 0.020 A 15 ILE HG1x H 1 1.073 0.020 A 15 ILE HG1y H 1 1.274 0.020 A 15 ILE HG2% H 1 0.186 0.020 A 15 ILE C C 13 174.881 0.400 A 15 ILE CA C 13 59.885 0.400 A 15 ILE CB C 13 38.226 0.400 A 15 ILE CD1 C 13 12.213 0.400 A 15 ILE CG1 C 13 26.945 0.400 A 15 ILE CG2 C 13 16.679 0.400 A 15 ILE N N 15 127.307 0.400 A 16 LEU H H 1 8.193 0.020 A 16 LEU HA H 1 4.359 0.020 A 16 LEU HBy H 1 1.454 0.020 A 16 LEU HBx H 1 1.353 0.020 A 16 LEU HD1% H 1 0.836 0.020 A 16 LEU HD2% H 1 0.777 0.020 A 16 LEU HG H 1 1.373 0.020 A 16 LEU C C 13 175.641 0.400 A 16 LEU CA C 13 54.228 0.400 A 16 LEU CB C 13 42.179 0.400 A 16 LEU CD1 C 13 24.654 0.400 A 16 LEU CD2 C 13 23.688 0.400 A 16 LEU CG C 13 26.887 0.400 A 16 LEU N N 15 128.303 0.400 A 17 TRP H H 1 7.960 0.020 A 17 TRP HA H 1 4.907 0.020 A 17 TRP HB2 H 1 2.946 0.020 A 17 TRP HB3 H 1 3.439 0.020 A 17 TRP HD1 H 1 7.241 0.020 A 17 TRP HE1 H 1 10.152 0.020 A 17 TRP HE3 H 1 6.819 0.020 A 17 TRP HH2 H 1 6.588 0.020 A 17 TRP HZ2 H 1 7.246 0.020 A 17 TRP HZ3 H 1 7.734 0.020 A 17 TRP C C 13 177.529 0.400 A 17 TRP CA C 13 55.734 0.400 A 17 TRP CB C 13 30.847 0.400 A 17 TRP CD1 C 13 127.752 0.400 A 17 TRP CE3 C 13 120.408 0.400 A 17 TRP CH2 C 13 121.443 0.400 A 17 TRP CZ2 C 13 114.832 0.400 A 17 TRP CZ3 C 13 120.853 0.400 A 17 TRP N N 15 123.748 0.400 A 17 TRP NE1 N 15 129.261 0.400 A 18 THR H H 1 9.618 0.020 A 18 THR HA H 1 4.674 0.020 A 18 THR HB H 1 4.744 0.020 A 18 THR HG1 H 1 5.205 0.020 A 18 THR HG2% H 1 1.337 0.020 A 18 THR C C 13 175.101 0.400 A 18 THR CA C 13 60.167 0.400 A 18 THR CB C 13 71.688 0.400 A 18 THR CG2 C 13 21.633 0.400 A 18 THR N N 15 117.083 0.400 A 19 ARG H H 1 8.812 0.020 A 19 ARG HA H 1 4.201 0.020 A 19 ARG HBx H 1 1.910 0.020 A 19 ARG HBy H 1 1.965 0.020 A 19 ARG HD2 H 1 3.302 0.020 A 19 ARG HD3 H 1 3.302 0.020 A 19 ARG HG2 H 1 1.810 0.020 A 19 ARG HG3 H 1 1.810 0.020 A 19 ARG C C 13 179.477 0.400 A 19 ARG CA C 13 59.212 0.400 A 19 ARG CB C 13 29.571 0.400 A 19 ARG CD C 13 43.241 0.400 A 19 ARG CG C 13 27.149 0.400 A 19 ARG N N 15 119.880 0.400 A 20 ASN H H 1 8.263 0.020 A 20 ASN HA H 1 4.464 0.020 A 20 ASN HBy H 1 2.770 0.020 A 20 ASN HBx H 1 2.726 0.020 A 20 ASN HD2x H 1 7.062 0.020 A 20 ASN HD2y H 1 7.960 0.020 A 20 ASN C C 13 176.730 0.400 A 20 ASN CA C 13 56.625 0.400 A 20 ASN CB C 13 38.685 0.400 A 20 ASN N N 15 117.096 0.400 A 20 ASN ND2 N 15 115.353 0.400 A 21 ASP H H 1 7.959 0.020 A 21 ASP HA H 1 4.294 0.020 A 21 ASP HB2 H 1 2.894 0.020 A 21 ASP HB3 H 1 3.466 0.020 A 21 ASP C C 13 177.509 0.400 A 21 ASP CA C 13 57.921 0.400 A 21 ASP CB C 13 41.745 0.400 A 21 ASP N N 15 121.000 0.400 A 22 ASP H H 1 7.829 0.020 A 22 ASP HA H 1 4.202 0.020 A 22 ASP HBy H 1 2.704 0.020 A 22 ASP HBx H 1 2.451 0.020 A 22 ASP C C 13 177.792 0.400 A 22 ASP CA C 13 57.188 0.400 A 22 ASP CB C 13 40.731 0.400 A 22 ASP N N 15 119.162 0.400 A 23 ARG H H 1 7.875 0.020 A 23 ARG HA H 1 3.977 0.020 A 23 ARG HBx H 1 2.001 0.020 A 23 ARG HBy H 1 2.040 0.020 A 23 ARG HDy H 1 3.307 0.020 A 23 ARG HDx H 1 3.230 0.020 A 23 ARG HGx H 1 1.615 0.020 A 23 ARG HGy H 1 1.803 0.020 A 23 ARG C C 13 178.937 0.400 A 23 ARG CA C 13 59.487 0.400 A 23 ARG CB C 13 30.255 0.400 A 23 ARG CD C 13 43.421 0.400 A 23 ARG CG C 13 27.393 0.400 A 23 ARG N N 15 118.505 0.400 A 24 VAL H H 1 8.092 0.020 A 24 VAL HA H 1 3.738 0.020 A 24 VAL HB H 1 2.352 0.020 A 24 VAL HG1% H 1 1.010 0.020 A 24 VAL HG2% H 1 1.142 0.020 A 24 VAL C C 13 177.958 0.400 A 24 VAL CA C 13 66.544 0.400 A 24 VAL CB C 13 31.633 0.400 A 24 VAL CG1 C 13 21.267 0.400 A 24 VAL CG2 C 13 23.416 0.400 A 24 VAL N N 15 120.236 0.400 A 25 ILE H H 1 8.480 0.020 A 25 ILE HA H 1 3.725 0.020 A 25 ILE HB H 1 1.973 0.020 A 25 ILE HD1% H 1 0.601 0.020 A 25 ILE HG1x H 1 0.745 0.020 A 25 ILE HG1y H 1 2.168 0.020 A 25 ILE HG2% H 1 0.917 0.020 A 25 ILE C C 13 178.128 0.400 A 25 ILE CA C 13 65.965 0.400 A 25 ILE CB C 13 38.353 0.400 A 25 ILE CD1 C 13 13.788 0.400 A 25 ILE CG1 C 13 29.974 0.400 A 25 ILE CG2 C 13 17.280 0.400 A 25 ILE N N 15 119.708 0.400 A 26 LEU H H 1 8.213 0.020 A 26 LEU HA H 1 4.053 0.020 A 26 LEU HBx H 1 1.489 0.020 A 26 LEU HBy H 1 1.885 0.020 A 26 LEU HD1% H 1 0.870 0.020 A 26 LEU HD2% H 1 0.871 0.020 A 26 LEU HG H 1 1.858 0.020 A 26 LEU C C 13 179.856 0.400 A 26 LEU CA C 13 58.503 0.400 A 26 LEU CB C 13 41.664 0.400 A 26 LEU CD1 C 13 25.528 0.400 A 26 LEU CD2 C 13 22.887 0.400 A 26 LEU CG C 13 26.692 0.400 A 26 LEU N N 15 118.106 0.400 A 27 LEU H H 1 8.457 0.020 A 27 LEU HA H 1 4.124 0.020 A 27 LEU HBy H 1 1.866 0.020 A 27 LEU HBx H 1 1.735 0.020 A 27 LEU HD1% H 1 0.918 0.020 A 27 LEU HD2% H 1 0.894 0.020 A 27 LEU HG H 1 1.715 0.020 A 27 LEU C C 13 180.276 0.400 A 27 LEU CA C 13 58.344 0.400 A 27 LEU CB C 13 42.324 0.400 A 27 LEU CD1 C 13 24.489 0.400 A 27 LEU CD2 C 13 23.141 0.400 A 27 LEU CG C 13 26.912 0.400 A 27 LEU N N 15 119.890 0.400 A 28 GLU H H 1 8.695 0.020 A 28 GLU HA H 1 4.390 0.020 A 28 GLU HBy H 1 2.146 0.020 A 28 GLU HBx H 1 1.970 0.020 A 28 GLU HGx H 1 2.282 0.020 A 28 GLU HGy H 1 2.650 0.020 A 28 GLU C C 13 180.076 0.400 A 28 GLU CA C 13 58.630 0.400 A 28 GLU CB C 13 29.184 0.400 A 28 GLU CG C 13 35.665 0.400 A 28 GLU N N 15 117.423 0.400 A 29 CYS H H 1 8.306 0.020 A 29 CYS HA H 1 3.783 0.020 A 29 CYS HBx H 1 2.003 0.020 A 29 CYS HBy H 1 2.918 0.020 A 29 CYS C C 13 177.449 0.400 A 29 CYS CA C 13 64.520 0.400 A 29 CYS CB C 13 27.385 0.400 A 29 CYS N N 15 116.367 0.400 A 30 GLN H H 1 7.972 0.020 A 30 GLN HA H 1 4.097 0.020 A 30 GLN HBy H 1 2.299 0.020 A 30 GLN HBx H 1 2.200 0.020 A 30 GLN HE2x H 1 6.683 0.020 A 30 GLN HE2y H 1 7.335 0.020 A 30 GLN HGx H 1 2.348 0.020 A 30 GLN HGy H 1 2.549 0.020 A 30 GLN C C 13 177.649 0.400 A 30 GLN CA C 13 58.988 0.400 A 30 GLN CB C 13 28.327 0.400 A 30 GLN CG C 13 34.153 0.400 A 30 GLN N N 15 119.841 0.400 A 30 GLN NE2 N 15 110.593 0.400 A 31 LYS H H 1 7.884 0.020 A 31 LYS HA H 1 4.083 0.020 A 31 LYS HBx H 1 1.815 0.020 A 31 LYS HBy H 1 1.890 0.020 A 31 LYS HD2 H 1 1.645 0.020 A 31 LYS HD3 H 1 1.645 0.020 A 31 LYS HE2 H 1 2.936 0.020 A 31 LYS HE3 H 1 2.936 0.020 A 31 LYS HG2 H 1 1.578 0.020 A 31 LYS HG3 H 1 1.578 0.020 A 31 LYS C C 13 178.328 0.400 A 31 LYS CA C 13 59.030 0.400 A 31 LYS CB C 13 33.717 0.400 A 31 LYS CD C 13 28.939 0.400 A 31 LYS CE C 13 42.035 0.400 A 31 LYS CG C 13 24.802 0.400 A 31 LYS N N 15 117.792 0.400 A 32 ARG H H 1 8.451 0.020 A 32 ARG HA H 1 4.296 0.020 A 32 ARG HBx H 1 1.708 0.020 A 32 ARG HBy H 1 1.866 0.020 A 32 ARG HDy H 1 2.972 0.020 A 32 ARG HDx H 1 2.830 0.020 A 32 ARG HG2 H 1 1.924 0.020 A 32 ARG HG3 H 1 1.924 0.020 A 32 ARG C C 13 177.749 0.400 A 32 ARG CA C 13 56.278 0.400 A 32 ARG CB C 13 32.826 0.400 A 32 ARG CD C 13 43.423 0.400 A 32 ARG CG C 13 28.263 0.400 A 32 ARG N N 15 114.469 0.400 A 33 GLY H H 1 7.296 0.020 A 33 GLY HAy H 1 4.216 0.020 A 33 GLY HAx H 1 4.082 0.020 A 33 GLY C C 13 172.133 0.400 A 33 GLY CA C 13 43.094 0.400 A 33 GLY N N 15 109.756 0.400 A 34 PRO HA H 1 3.902 0.020 A 34 PRO HBy H 1 2.055 0.020 A 34 PRO HBx H 1 1.136 0.020 A 34 PRO HDy H 1 3.622 0.020 A 34 PRO HDx H 1 3.549 0.020 A 34 PRO HGx H 1 2.042 0.020 A 34 PRO HGy H 1 2.082 0.020 A 34 PRO C C 13 174.202 0.400 A 34 PRO CA C 13 62.176 0.400 A 34 PRO CB C 13 29.573 0.400 A 34 PRO CD C 13 49.714 0.400 A 34 PRO CG C 13 27.299 0.400 A 35 SER H H 1 6.939 0.020 A 35 SER HA H 1 4.496 0.020 A 35 SER HBx H 1 3.885 0.020 A 35 SER HBy H 1 4.111 0.020 A 35 SER C C 13 173.907 0.400 A 35 SER CA C 13 56.261 0.400 A 35 SER CB C 13 65.741 0.400 A 35 SER N N 15 116.825 0.400 A 36 SER HBy H 1 4.287 0.020 A 36 SER HBx H 1 4.015 0.020 A 36 SER CB C 13 62.302 0.400 A 37 LYS HA H 1 4.127 0.020 A 37 LYS HB2 H 1 1.760 0.020 A 37 LYS HB3 H 1 1.760 0.020 A 37 LYS HD2 H 1 1.664 0.020 A 37 LYS HD3 H 1 1.664 0.020 A 37 LYS HE2 H 1 2.975 0.020 A 37 LYS HE3 H 1 2.975 0.020 A 37 LYS HG2 H 1 1.533 0.020 A 37 LYS HG3 H 1 1.533 0.020 A 37 LYS C C 13 179.297 0.400 A 37 LYS CA C 13 59.672 0.400 A 37 LYS CB C 13 32.134 0.400 A 37 LYS CD C 13 28.990 0.400 A 37 LYS CE C 13 42.030 0.400 A 37 LYS CG C 13 24.992 0.400 A 38 THR H H 1 7.852 0.020 A 38 THR HA H 1 3.816 0.020 A 38 THR HB H 1 3.915 0.020 A 38 THR HG1 H 1 5.133 0.020 A 38 THR HG2% H 1 0.936 0.020 A 38 THR C C 13 176.640 0.400 A 38 THR CA C 13 65.953 0.400 A 38 THR CB C 13 68.200 0.400 A 38 THR CG2 C 13 24.217 0.400 A 38 THR N N 15 121.173 0.400 A 39 PHE H H 1 8.462 0.020 A 39 PHE HA H 1 4.560 0.020 A 39 PHE HB2 H 1 3.082 0.020 A 39 PHE HB3 H 1 3.336 0.020 A 39 PHE HD1 H 1 6.984 0.020 A 39 PHE HD2 H 1 6.984 0.020 A 39 PHE HE1 H 1 6.930 0.020 A 39 PHE HE2 H 1 6.930 0.020 A 39 PHE C C 13 177.858 0.400 A 39 PHE CA C 13 60.124 0.400 A 39 PHE CB C 13 36.875 0.400 A 39 PHE CD1 C 13 130.444 0.400 A 39 PHE CD2 C 13 130.444 0.400 A 39 PHE CE1 C 13 129.473 0.400 A 39 PHE CE2 C 13 129.473 0.400 A 39 PHE N N 15 120.581 0.400 A 40 ALA H H 1 8.348 0.020 A 40 ALA HA H 1 4.187 0.020 A 40 ALA HB% H 1 1.623 0.020 A 40 ALA C C 13 180.276 0.400 A 40 ALA CA C 13 55.646 0.400 A 40 ALA CB C 13 17.627 0.400 A 40 ALA N N 15 122.682 0.400 A 41 TYR H H 1 7.949 0.020 A 41 TYR HA H 1 4.337 0.020 A 41 TYR HBx H 1 3.233 0.020 A 41 TYR HBy H 1 3.303 0.020 A 41 TYR HD1 H 1 7.010 0.020 A 41 TYR HD2 H 1 7.010 0.020 A 41 TYR HE1 H 1 6.661 0.020 A 41 TYR HE2 H 1 6.661 0.020 A 41 TYR C C 13 177.958 0.400 A 41 TYR CA C 13 60.896 0.400 A 41 TYR CB C 13 37.802 0.400 A 41 TYR CD1 C 13 132.616 0.400 A 41 TYR CD2 C 13 132.616 0.400 A 41 TYR CE1 C 13 117.857 0.400 A 41 TYR CE2 C 13 117.857 0.400 A 41 TYR N N 15 122.330 0.400 A 42 LEU H H 1 8.634 0.020 A 42 LEU HA H 1 3.672 0.020 A 42 LEU HB2 H 1 2.251 0.020 A 42 LEU HB3 H 1 1.301 0.020 A 42 LEU HD1% H 1 1.037 0.020 A 42 LEU HD2% H 1 0.930 0.020 A 42 LEU HG H 1 1.909 0.020 A 42 LEU C C 13 177.938 0.400 A 42 LEU CA C 13 57.057 0.400 A 42 LEU CB C 13 44.482 0.400 A 42 LEU CD1 C 13 27.745 0.400 A 42 LEU CD2 C 13 23.975 0.400 A 42 LEU CG C 13 27.874 0.400 A 42 LEU N N 15 119.851 0.400 A 43 ALA H H 1 8.592 0.020 A 43 ALA HA H 1 3.634 0.020 A 43 ALA HB% H 1 1.489 0.020 A 43 ALA C C 13 179.107 0.400 A 43 ALA CA C 13 55.807 0.400 A 43 ALA CB C 13 18.046 0.400 A 43 ALA N N 15 121.912 0.400 A 44 ALA H H 1 7.280 0.020 A 44 ALA HA H 1 4.249 0.020 A 44 ALA HB% H 1 1.498 0.020 A 44 ALA C C 13 180.176 0.400 A 44 ALA CA C 13 54.382 0.400 A 44 ALA CB C 13 17.942 0.400 A 44 ALA N N 15 118.200 0.400 A 45 LYS H H 1 7.647 0.020 A 45 LYS HA H 1 4.007 0.020 A 45 LYS HB2 H 1 1.565 0.020 A 45 LYS HB3 H 1 1.677 0.020 A 45 LYS HD2 H 1 1.472 0.020 A 45 LYS HD3 H 1 1.472 0.020 A 45 LYS HE2 H 1 2.929 0.020 A 45 LYS HE3 H 1 2.929 0.020 A 45 LYS HGy H 1 1.291 0.020 A 45 LYS HGx H 1 1.218 0.020 A 45 LYS C C 13 178.078 0.400 A 45 LYS CA C 13 58.041 0.400 A 45 LYS CB C 13 32.909 0.400 A 45 LYS CD C 13 28.681 0.400 A 45 LYS CE C 13 41.703 0.400 A 45 LYS CG C 13 24.219 0.400 A 45 LYS N N 15 118.122 0.400 A 46 LEU H H 1 8.257 0.020 A 46 LEU HA H 1 4.425 0.020 A 46 LEU HB2 H 1 1.570 0.020 A 46 LEU HB3 H 1 1.667 0.020 A 46 LEU HD1% H 1 1.000 0.020 A 46 LEU HD2% H 1 0.998 0.020 A 46 LEU HG H 1 1.811 0.020 A 46 LEU C C 13 176.310 0.400 A 46 LEU CA C 13 54.220 0.400 A 46 LEU CB C 13 42.467 0.400 A 46 LEU CD1 C 13 26.608 0.400 A 46 LEU CD2 C 13 21.681 0.400 A 46 LEU CG C 13 26.887 0.400 A 46 LEU N N 15 115.024 0.400 A 47 ASP H H 1 7.766 0.020 A 47 ASP HA H 1 4.394 0.020 A 47 ASP HBy H 1 3.137 0.020 A 47 ASP HBx H 1 2.498 0.020 A 47 ASP C C 13 174.592 0.400 A 47 ASP CA C 13 55.299 0.400 A 47 ASP CB C 13 38.725 0.400 A 47 ASP N N 15 120.263 0.400 A 48 LYS H H 1 8.377 0.020 A 48 LYS HA H 1 4.758 0.020 A 48 LYS HB2 H 1 1.289 0.020 A 48 LYS HB3 H 1 2.063 0.020 A 48 LYS HD2 H 1 1.533 0.020 A 48 LYS HD3 H 1 1.533 0.020 A 48 LYS HEy H 1 2.267 0.020 A 48 LYS HEx H 1 1.926 0.020 A 48 LYS HG2 H 1 1.243 0.020 A 48 LYS HG3 H 1 1.243 0.020 A 48 LYS C C 13 174.721 0.400 A 48 LYS CA C 13 52.641 0.400 A 48 LYS CB C 13 37.685 0.400 A 48 LYS CD C 13 28.745 0.400 A 48 LYS CE C 13 41.926 0.400 A 48 LYS CG C 13 24.514 0.400 A 48 LYS N N 15 117.778 0.400 A 49 ASN H H 1 8.409 0.020 A 49 ASN HA H 1 5.289 0.020 A 49 ASN HBy H 1 2.929 0.020 A 49 ASN HBx H 1 2.774 0.020 A 49 ASN HD2x H 1 7.140 0.020 A 49 ASN HD2y H 1 7.701 0.020 A 49 ASN CA C 13 51.401 0.400 A 49 ASN CB C 13 38.666 0.400 A 49 ASN N N 15 117.856 0.400 A 49 ASN ND2 N 15 114.438 0.400 A 50 PRO HA H 1 4.050 0.020 A 50 PRO HBx H 1 2.061 0.020 A 50 PRO HBy H 1 2.288 0.020 A 50 PRO HD2 H 1 3.911 0.020 A 50 PRO HD3 H 1 3.911 0.020 A 50 PRO HGy H 1 2.288 0.020 A 50 PRO HGx H 1 1.956 0.020 A 50 PRO C C 13 177.958 0.400 A 50 PRO CA C 13 66.654 0.400 A 50 PRO CB C 13 32.104 0.400 A 50 PRO CD C 13 50.480 0.400 A 50 PRO CG C 13 28.086 0.400 A 51 ASN H H 1 8.505 0.020 A 51 ASN HA H 1 4.429 0.020 A 51 ASN HB2 H 1 2.826 0.020 A 51 ASN HB3 H 1 2.826 0.020 A 51 ASN HD2x H 1 6.993 0.020 A 51 ASN HD2y H 1 7.670 0.020 A 51 ASN C C 13 177.798 0.400 A 51 ASN CA C 13 55.983 0.400 A 51 ASN CB C 13 37.649 0.400 A 51 ASN N N 15 115.567 0.400 A 51 ASN ND2 N 15 113.687 0.400 A 52 GLN H H 1 7.869 0.020 A 52 GLN HA H 1 4.276 0.020 A 52 GLN HBy H 1 2.695 0.020 A 52 GLN HBx H 1 2.196 0.020 A 52 GLN HE2y H 1 7.694 0.020 A 52 GLN HE2x H 1 6.736 0.020 A 52 GLN HG2 H 1 2.607 0.020 A 52 GLN HG3 H 1 2.607 0.020 A 52 GLN C C 13 179.227 0.400 A 52 GLN CA C 13 58.269 0.400 A 52 GLN CB C 13 28.203 0.400 A 52 GLN CG C 13 34.310 0.400 A 52 GLN N N 15 119.145 0.400 A 52 GLN NE2 N 15 111.569 0.400 A 53 VAL H H 1 7.629 0.020 A 53 VAL HA H 1 3.562 0.020 A 53 VAL HB H 1 2.206 0.020 A 53 VAL HG1% H 1 1.080 0.020 A 53 VAL HG2% H 1 1.085 0.020 A 53 VAL C C 13 176.440 0.400 A 53 VAL CA C 13 66.425 0.400 A 53 VAL CB C 13 31.633 0.400 A 53 VAL CG1 C 13 23.253 0.400 A 53 VAL CG2 C 13 22.170 0.400 A 53 VAL N N 15 118.085 0.400 A 54 SER H H 1 7.787 0.020 A 54 SER HA H 1 2.854 0.020 A 54 SER HBx H 1 3.097 0.020 A 54 SER HBy H 1 3.344 0.020 A 54 SER C C 13 177.149 0.400 A 54 SER CA C 13 60.423 0.400 A 54 SER CB C 13 62.048 0.400 A 54 SER N N 15 114.255 0.400 A 55 GLU H H 1 7.772 0.020 A 55 GLU HA H 1 3.948 0.020 A 55 GLU HBx H 1 2.044 0.020 A 55 GLU HBy H 1 2.106 0.020 A 55 GLU HGy H 1 2.396 0.020 A 55 GLU HGx H 1 2.203 0.020 A 55 GLU C C 13 178.837 0.400 A 55 GLU CA C 13 59.002 0.400 A 55 GLU CB C 13 29.355 0.400 A 55 GLU CG C 13 36.516 0.400 A 55 GLU N N 15 119.888 0.400 A 56 ARG H H 1 7.869 0.020 A 56 ARG HA H 1 3.854 0.020 A 56 ARG HB2 H 1 1.001 0.020 A 56 ARG HB3 H 1 1.379 0.020 A 56 ARG HDy H 1 2.971 0.020 A 56 ARG HDx H 1 1.528 0.020 A 56 ARG HGy H 1 0.818 0.020 A 56 ARG HGx H 1 -0.153 0.020 A 56 ARG C C 13 177.868 0.400 A 56 ARG CA C 13 56.623 0.400 A 56 ARG CB C 13 29.570 0.400 A 56 ARG CD C 13 43.014 0.400 A 56 ARG CG C 13 23.699 0.400 A 56 ARG N N 15 120.935 0.400 A 57 PHE H H 1 8.536 0.020 A 57 PHE HA H 1 3.936 0.020 A 57 PHE HB2 H 1 3.009 0.020 A 57 PHE HB3 H 1 3.166 0.020 A 57 PHE HD1 H 1 7.171 0.020 A 57 PHE HD2 H 1 7.171 0.020 A 57 PHE HE1 H 1 7.396 0.020 A 57 PHE HE2 H 1 7.396 0.020 A 57 PHE C C 13 176.230 0.400 A 57 PHE CA C 13 62.009 0.400 A 57 PHE CB C 13 38.604 0.400 A 57 PHE CD1 C 13 131.763 0.400 A 57 PHE CD2 C 13 131.763 0.400 A 57 PHE CE1 C 13 130.993 0.400 A 57 PHE CE2 C 13 130.993 0.400 A 57 PHE CG C 13 23.483 0.400 A 57 PHE N N 15 119.231 0.400 A 58 GLN H H 1 7.761 0.020 A 58 GLN HA H 1 3.623 0.020 A 58 GLN HBy H 1 2.149 0.020 A 58 GLN HBx H 1 2.107 0.020 A 58 GLN HE2x H 1 6.928 0.020 A 58 GLN HE2y H 1 7.498 0.020 A 58 GLN HGx H 1 2.498 0.020 A 58 GLN HGy H 1 2.605 0.020 A 58 GLN C C 13 178.968 0.400 A 58 GLN CA C 13 58.789 0.400 A 58 GLN CB C 13 28.020 0.400 A 58 GLN CG C 13 33.823 0.400 A 58 GLN N N 15 116.044 0.400 A 58 GLN NE2 N 15 111.953 0.400 A 59 GLN H H 1 7.877 0.020 A 59 GLN HA H 1 3.914 0.020 A 59 GLN HBy H 1 2.204 0.020 A 59 GLN HBx H 1 1.937 0.020 A 59 GLN HE2y H 1 7.463 0.020 A 59 GLN HE2x H 1 6.767 0.020 A 59 GLN HGx H 1 2.355 0.020 A 59 GLN HGy H 1 2.540 0.020 A 59 GLN C C 13 179.382 0.400 A 59 GLN CA C 13 58.776 0.400 A 59 GLN CB C 13 28.065 0.400 A 59 GLN CG C 13 33.382 0.400 A 59 GLN N N 15 119.201 0.400 A 59 GLN NE2 N 15 111.094 0.400 A 60 LEU H H 1 8.499 0.020 A 60 LEU HA H 1 3.878 0.020 A 60 LEU HB2 H 1 1.209 0.020 A 60 LEU HB3 H 1 1.823 0.020 A 60 LEU HD1% H 1 0.770 0.020 A 60 LEU HD2% H 1 0.670 0.020 A 60 LEU HG H 1 1.531 0.020 A 60 LEU C C 13 179.627 0.400 A 60 LEU CA C 13 57.401 0.400 A 60 LEU CB C 13 42.124 0.400 A 60 LEU CD1 C 13 25.652 0.400 A 60 LEU CD2 C 13 21.293 0.400 A 60 LEU CG C 13 26.405 0.400 A 60 LEU N N 15 120.552 0.400 A 61 MET H H 1 7.995 0.020 A 61 MET HA H 1 4.302 0.020 A 61 MET HB2 H 1 1.743 0.020 A 61 MET HB3 H 1 1.743 0.020 A 61 MET HE% H 1 1.855 0.020 A 61 MET HGx H 1 1.595 0.020 A 61 MET HGy H 1 2.008 0.020 A 61 MET C C 13 179.047 0.400 A 61 MET CA C 13 56.406 0.400 A 61 MET CB C 13 31.326 0.400 A 61 MET CE C 13 17.273 0.400 A 61 MET CG C 13 32.389 0.400 A 61 MET N N 15 117.426 0.400 A 62 LYS H H 1 7.550 0.020 A 62 LYS HA H 1 4.085 0.020 A 62 LYS HB2 H 1 1.856 0.020 A 62 LYS HB3 H 1 1.856 0.020 A 62 LYS HD2 H 1 1.668 0.020 A 62 LYS HD3 H 1 1.668 0.020 A 62 LYS HE2 H 1 2.974 0.020 A 62 LYS HE3 H 1 2.974 0.020 A 62 LYS HG2 H 1 1.417 0.020 A 62 LYS HG3 H 1 1.417 0.020 A 62 LYS C C 13 178.758 0.400 A 62 LYS CA C 13 58.354 0.400 A 62 LYS CB C 13 31.951 0.400 A 62 LYS CD C 13 28.976 0.400 A 62 LYS CE C 13 42.097 0.400 A 62 LYS CG C 13 25.110 0.400 A 62 LYS N N 15 119.575 0.400 A 63 LEU H H 1 7.610 0.020 A 63 LEU HA H 1 4.084 0.020 A 63 LEU HB2 H 1 1.670 0.020 A 63 LEU HB3 H 1 1.395 0.020 A 63 LEU HD1% H 1 0.828 0.020 A 63 LEU HD2% H 1 0.786 0.020 A 63 LEU HG H 1 1.618 0.020 A 63 LEU C C 13 178.936 0.400 A 63 LEU CA C 13 56.765 0.400 A 63 LEU CB C 13 41.734 0.400 A 63 LEU CD1 C 13 24.799 0.400 A 63 LEU CD2 C 13 22.911 0.400 A 63 LEU CG C 13 26.739 0.400 A 63 LEU N N 15 119.231 0.400 A 64 PHE H H 1 7.886 0.020 A 64 PHE HA H 1 4.489 0.020 A 64 PHE HBy H 1 3.271 0.020 A 64 PHE HBx H 1 3.070 0.020 A 64 PHE HD1 H 1 7.287 0.020 A 64 PHE HD2 H 1 7.287 0.020 A 64 PHE C C 13 177.089 0.400 A 64 PHE CA C 13 58.937 0.400 A 64 PHE CB C 13 39.056 0.400 A 64 PHE CD1 C 13 131.347 0.400 A 64 PHE CD2 C 13 131.346 0.400 A 64 PHE N N 15 119.148 0.400 A 65 GLU H H 1 7.998 0.020 A 65 GLU HA H 1 4.081 0.020 A 65 GLU HB2 H 1 2.073 0.020 A 65 GLU HB3 H 1 2.073 0.020 A 65 GLU HGy H 1 2.357 0.020 A 65 GLU HGx H 1 2.281 0.020 A 65 GLU C C 13 177.519 0.400 A 65 GLU CA C 13 58.161 0.400 A 65 GLU CB C 13 29.941 0.400 A 65 GLU CG C 13 36.168 0.400 A 65 GLU N N 15 120.583 0.400 A 66 LYS H H 1 8.018 0.020 A 66 LYS HA H 1 4.263 0.020 A 66 LYS HBy H 1 1.907 0.020 A 66 LYS HBx H 1 1.857 0.020 A 66 LYS HD2 H 1 1.375 0.020 A 66 LYS HD3 H 1 1.375 0.020 A 66 LYS HE2 H 1 2.779 0.020 A 66 LYS HE3 H 1 2.779 0.020 A 66 LYS HG2 H 1 1.530 0.020 A 66 LYS HG3 H 1 1.530 0.020 A 66 LYS C C 13 177.329 0.400 A 66 LYS CA C 13 56.968 0.400 A 66 LYS CB C 13 32.483 0.400 A 66 LYS CD C 13 28.951 0.400 A 66 LYS CE C 13 41.684 0.400 A 66 LYS CG C 13 25.053 0.400 A 66 LYS N N 15 120.005 0.400 A 67 SER H H 1 8.023 0.020 A 67 SER HA H 1 4.379 0.020 A 67 SER HB2 H 1 3.914 0.020 A 67 SER HB3 H 1 3.914 0.020 A 67 SER C C 13 174.562 0.400 A 67 SER CA C 13 58.948 0.400 A 67 SER CB C 13 63.608 0.400 A 67 SER N N 15 115.325 0.400 A 68 LYS H H 1 7.978 0.020 A 68 LYS HA H 1 4.304 0.020 A 68 LYS HBy H 1 1.856 0.020 A 68 LYS HBx H 1 1.753 0.020 A 68 LYS HD2 H 1 1.673 0.020 A 68 LYS HD3 H 1 1.673 0.020 A 68 LYS HE2 H 1 2.977 0.020 A 68 LYS HE3 H 1 2.977 0.020 A 68 LYS HG2 H 1 1.426 0.020 A 68 LYS HG3 H 1 1.426 0.020 A 68 LYS C C 13 176.490 0.400 A 68 LYS CA C 13 56.414 0.400 A 68 LYS CB C 13 32.098 0.400 A 68 LYS CD C 13 28.800 0.400 A 68 LYS CE C 13 41.828 0.400 A 68 LYS CG C 13 24.703 0.400 A 68 LYS N N 15 122.279 0.400 A 69 CYS H H 1 8.158 0.020 A 69 CYS HA H 1 4.475 0.020 A 69 CYS HBy H 1 2.968 0.020 A 69 CYS HBx H 1 2.901 0.020 A 69 CYS C C 13 173.553 0.400 A 69 CYS CA C 13 58.791 0.400 A 69 CYS CB C 13 28.178 0.400 A 69 CYS N N 15 119.892 0.400 A 70 ARG H H 1 7.937 0.020 A 70 ARG HA H 1 4.159 0.020 A 70 ARG HBx H 1 1.715 0.020 A 70 ARG HBy H 1 1.848 0.020 A 70 ARG CA C 13 57.287 0.400 A 70 ARG CB C 13 31.234 0.400 A 70 ARG N N 15 127.935 0.400 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 7 ILE H A 7 ILE HB 1.0 0.0 3.99 2 2 A 9 LYS H A 8 LYS HB2 1.0 0.0 4.99 3 2 A 8 LYS HB3 A 9 LYS H 1.0 0.0 4.99 4 3 A 10 LYS H A 9 LYS HBy 1.0 0.0 5.19 5 4 A 12 GLU HA A 13 ILE H 1.0 0.0 3.53 6 5 A 13 ILE H A 13 ILE HB 1.0 0.0 4.05 7 6 A 13 ILE H A 13 ILE HG1y 1.0 0.0 5.18 8 7 A 13 ILE H A 13 ILE HG1x 1.0 0.0 5.18 9 8 A 13 ILE H A 13 ILE HG2% 1.0 0.0 5.06 10 9 A 13 ILE HA A 14 ILE H 1.0 0.0 3.38 11 10 A 13 ILE HB A 14 ILE H 1.0 0.0 4.03 12 11 A 14 ILE H A 14 ILE HG1y 1.0 0.0 4.89 13 12 A 14 ILE H A 14 ILE HG1x 1.0 0.0 4.89 14 13 A 13 ILE HG2% A 14 ILE H 1.0 0.0 4.50 15 14 A 14 ILE HA A 15 ILE H 1.0 0.0 3.30 16 15 A 15 ILE H A 15 ILE HB 1.0 0.0 4.13 17 16 A 15 ILE HA A 16 LEU H 1.0 0.0 3.50 18 17 A 16 LEU H A 16 LEU HD2% 1.0 0.0 5.18 19 18 A 15 ILE HB A 17 TRP HE1 1.0 0.0 5.18 20 19 A 15 ILE HG2% A 17 TRP H 1.0 0.0 5.06 21 20 A 17 TRP H A 18 THR H 1.0 0.0 5.39 22 21 A 18 THR H A 17 TRP HB3 1.0 0.0 4.22 23 22 A 18 THR H A 21 ASP HB2 1.0 0.0 5.10 24 23 A 19 ARG H A 20 ASN H 1.0 0.0 4.95 25 24 A 20 ASN H A 18 THR HG1 1.0 0.0 4.75 26 25 A 18 THR H A 21 ASP H 1.0 0.0 5.23 27 26 A 20 ASN H A 21 ASP H 1.0 0.0 4.56 28 27 A 18 THR HG1 A 21 ASP H 1.0 0.0 4.88 29 28 A 21 ASP H A 18 THR HG2% 1.0 0.0 5.34 30 29 A 52 GLN H A 52 GLN HG2 1.0 0.0 3.75 31 29 A 52 GLN H A 52 GLN HG3 1.0 0.0 3.75 32 30 A 23 ARG H A 24 VAL H 1.0 0.0 3.99 33 31 A 23 ARG H A 19 ARG HA 1.0 0.0 5.02 34 32 A 23 ARG H A 22 ASP HBy 1.0 0.0 4.80 35 33 A 24 VAL H A 25 ILE H 1.0 0.0 4.25 36 34 A 24 VAL H A 24 VAL HB 1.0 0.0 3.80 37 35 A 24 VAL H A 24 VAL HG1% 1.0 0.0 4.66 38 36 A 27 LEU H A 28 GLU H 1.0 0.0 4.12 39 37 A 25 ILE H A 26 LEU H 1.0 0.0 3.87 40 38 A 27 LEU H A 24 VAL HA 1.0 0.0 4.20 41 39 A 25 ILE H A 24 VAL HB 1.0 0.0 4.42 42 40 A 25 ILE H A 24 VAL HG1% 1.0 0.0 4.58 43 41 A 26 LEU H A 26 LEU HG 1.0 0.0 3.56 44 42 A 26 LEU H A 60 LEU HD1% 1.0 0.0 5.39 45 43 A 25 ILE H A 25 ILE HG2% 1.0 0.0 4.81 46 44 A 28 GLU H A 24 VAL HA 1.0 0.0 4.95 47 45 A 28 GLU H A 28 GLU HGy 1.0 0.0 4.62 48 46 A 28 GLU H A 28 GLU HGx 1.0 0.0 4.62 49 47 A 28 GLU H A 27 LEU HBy 1.0 0.0 4.68 50 48 A 28 GLU H A 27 LEU HBx 1.0 0.0 4.68 51 49 A 28 GLU H A 42 LEU HD2% 1.0 0.0 4.78 52 50 A 28 GLU H A 29 CYS H 1.0 0.0 4.12 53 51 A 29 CYS H A 27 LEU HA 1.0 0.0 4.38 54 52 A 25 ILE HG2% A 29 CYS H 1.0 0.0 4.99 55 53 A 29 CYS H A 30 GLN H 1.0 0.0 4.06 56 54 A 30 GLN H A 29 CYS HBy 1.0 0.0 5.39 57 55 A 30 GLN H A 30 GLN HBx 1.0 0.0 4.05 58 56 A 31 LYS H A 30 GLN HBy 1.0 0.0 4.65 59 57 A 31 LYS H A 30 GLN HBx 1.0 0.0 4.65 60 58 A 31 LYS H A 32 ARG H 1.0 0.0 4.21 61 59 A 32 ARG H A 33 GLY H 1.0 0.0 3.89 62 60 A 33 GLY H A 29 CYS HA 1.0 0.0 4.87 63 61 A 35 SER H A 38 THR HG1 1.0 0.0 5.37 64 62 A 35 SER H A 34 PRO HA 1.0 0.0 3.55 65 63 A 35 SER H A 38 THR HG2% 1.0 0.0 5.22 66 64 A 38 THR H A 37 LYS HB2 1.0 0.0 4.28 67 64 A 37 LYS HB3 A 38 THR H 1.0 0.0 4.28 68 65 A 56 ARG H A 56 ARG HB3 1.0 0.0 4.25 69 66 A 38 THR H A 39 PHE H 1.0 0.0 4.03 70 67 A 39 PHE H A 39 PHE HD% 1.0 0.0 4.63 71 68 A 40 ALA H A 42 LEU H 1.0 0.0 5.23 72 69 A 40 ALA H A 41 TYR H 1.0 0.0 4.15 73 70 A 40 ALA H A 39 PHE HB2 1.0 0.0 4.75 74 71 A 42 LEU H A 41 TYR H 1.0 0.0 4.14 75 72 A 41 TYR H A 40 ALA HB% 1.0 0.0 4.03 76 73 A 42 LEU H A 39 PHE HA 1.0 0.0 5.20 77 74 A 42 LEU H A 42 LEU HB2 1.0 0.0 4.04 78 75 A 42 LEU H A 42 LEU HD1% 1.0 0.0 4.69 79 76 A 40 ALA HA A 43 ALA H 1.0 0.0 5.21 80 77 A 42 LEU HB2 A 43 ALA H 1.0 0.0 4.41 81 78 A 43 ALA H A 43 ALA HB% 1.0 0.0 3.59 82 79 A 43 ALA H A 42 LEU HB3 1.0 0.0 5.00 83 80 A 43 ALA H A 53 VAL HG1% 1.0 0.0 4.45 84 81 A 43 ALA H A 44 ALA H 1.0 0.0 4.20 85 82 A 43 ALA HB% A 44 ALA H 1.0 0.0 3.27 86 83 A 45 LYS H A 46 LEU H 1.0 0.0 3.98 87 84 A 52 GLN H A 53 VAL H 1.0 0.0 3.70 88 85 A 53 VAL H A 54 SER H 1.0 0.0 3.98 89 86 A 44 ALA H A 45 LYS H 1.0 0.0 3.96 90 87 A 45 LYS H A 42 LEU HA 1.0 0.0 4.62 91 88 A 53 VAL H A 53 VAL HB 1.0 0.0 3.90 92 89 A 53 VAL H A 53 VAL HG2% 1.0 0.0 3.76 93 90 A 46 LEU H A 47 ASP H 1.0 0.0 3.83 94 91 A 46 LEU H A 42 LEU HA 1.0 0.0 5.16 95 92 A 46 LEU H A 46 LEU HG 1.0 0.0 4.05 96 93 A 46 LEU H A 46 LEU HB2 1.0 0.0 3.83 97 94 A 46 LEU H A 46 LEU HD1% 1.0 0.0 4.57 98 95 A 45 LYS H A 47 ASP H 1.0 0.0 4.94 99 96 A 55 GLU H A 55 GLU HBy 1.0 0.0 4.39 100 97 A 47 ASP H A 46 LEU HB2 1.0 0.0 5.30 101 98 A 46 LEU H A 48 LYS H 1.0 0.0 5.01 102 99 A 47 ASP H A 48 LYS H 1.0 0.0 4.14 103 100 A 43 ALA HB% A 48 LYS H 1.0 0.0 4.92 104 101 A 49 ASN H A 52 GLN HBy 1.0 0.0 5.33 105 102 A 52 GLN H A 51 ASN H 1.0 0.0 4.02 106 103 A 52 GLN H A 51 ASN HB2 1.0 0.0 4.56 107 103 A 52 GLN H A 51 ASN HB3 1.0 0.0 4.56 108 104 A 54 SER H A 54 SER HBy 1.0 0.0 4.14 109 105 A 54 SER H A 54 SER HBx 1.0 0.0 4.14 110 106 A 54 SER H A 53 VAL HB 1.0 0.0 4.14 111 107 A 55 GLU H A 55 GLU HGy 1.0 0.0 4.73 112 108 A 56 ARG H A 57 PHE H 1.0 0.0 4.16 113 109 A 56 ARG H A 53 VAL HA 1.0 0.0 4.99 114 110 A 57 PHE H A 57 PHE HD1 1.0 0.0 5.38 115 111 A 57 PHE H A 57 PHE HB3 1.0 0.0 4.09 116 112 A 56 ARG HB3 A 57 PHE H 1.0 0.0 4.66 117 113 A 25 ILE HG2% A 57 PHE H 1.0 0.0 5.03 118 114 A 57 PHE H A 58 GLN H 1.0 0.0 4.35 119 115 A 58 GLN H A 59 GLN H 1.0 0.0 4.24 120 116 A 58 GLN H A 55 GLU HA 1.0 0.0 4.79 121 117 A 57 PHE HB3 A 58 GLN H 1.0 0.0 4.65 122 118 A 58 GLN H A 58 GLN HGx 1.0 0.0 4.79 123 119 A 60 LEU H A 61 MET H 1.0 0.0 4.44 124 120 A 59 GLN H A 60 LEU H 1.0 0.0 4.37 125 121 A 60 LEU H A 60 LEU HG 1.0 0.0 4.20 126 122 A 60 LEU HD1% A 60 LEU H 1.0 0.0 5.13 127 123 A 61 MET H A 59 GLN HA 1.0 0.0 5.19 128 124 A 61 MET H A 60 LEU HB2 1.0 0.0 5.32 129 125 A 61 MET H A 62 LYS H 1.0 0.0 4.38 130 126 A 59 GLN HA A 62 LYS H 1.0 0.0 5.05 131 127 A 62 LYS H A 61 MET HB2 1.0 0.0 4.68 132 127 A 62 LYS H A 61 MET HB3 1.0 0.0 4.68 133 128 A 63 LEU H A 64 PHE H 1.0 0.0 3.84 134 129 A 63 LEU H A 60 LEU HA 1.0 0.0 5.05 135 130 A 63 LEU H A 62 LYS HB2 1.0 0.0 4.44 136 130 A 63 LEU H A 62 LYS HB3 1.0 0.0 4.44 137 131 A 63 LEU H A 63 LEU HD1% 1.0 0.0 5.03 138 132 A 52 GLN H A 50 PRO HA 1.0 0.0 5.19 139 133 A 65 GLU H A 64 PHE HBy 1.0 0.0 5.27 140 134 A 65 GLU H A 64 PHE HBx 1.0 0.0 5.27 141 135 A 65 GLU H A 65 GLU HGx 1.0 0.0 5.69 142 136 A 66 LYS H A 66 LYS HG2 1.0 0.0 5.24 143 136 A 66 LYS H A 66 LYS HG3 1.0 0.0 5.24 144 137 A 68 LYS H A 68 LYS HG2 1.0 0.0 5.30 145 137 A 68 LYS H A 68 LYS HG3 1.0 0.0 5.30 146 138 A 69 CYS H A 70 ARG H 1.0 0.0 4.95 147 139 A 66 LYS H A 63 LEU HA 1.0 0.0 5.04 148 140 A 65 GLU H A 64 PHE HD% 1.0 0.0 5.20 149 141 A 65 GLU H A 65 GLU HGy 1.0 0.0 5.69 150 142 A 64 PHE H A 63 LEU HB3 1.0 0.0 5.39 151 143 A 61 MET H A 63 LEU H 1.0 0.0 5.23 152 144 A 63 LEU H A 61 MET HA 1.0 0.0 5.59 153 145 A 62 LYS H A 62 LYS HG2 1.0 0.0 5.61 154 145 A 62 LYS H A 62 LYS HG3 1.0 0.0 5.61 155 146 A 62 LYS H A 63 LEU HG 1.0 0.0 5.32 156 147 A 60 LEU H A 59 GLN HBx 1.0 0.0 4.85 157 148 A 58 GLN H A 61 MET H 1.0 0.0 6.07 158 149 A 60 LEU HD1% A 57 PHE H 1.0 0.0 5.48 159 150 A 57 PHE H A 25 ILE HD1% 1.0 0.0 6.04 160 151 A 53 VAL HG1% A 57 PHE H 1.0 0.0 5.55 161 152 A 57 PHE H A 53 VAL HA 1.0 0.0 5.46 162 153 A 57 PHE H A 39 PHE HE% 1.0 0.0 6.15 163 154 A 55 GLU H A 55 GLU HGx 1.0 0.0 4.73 164 155 A 39 PHE HD% A 54 SER H 1.0 0.0 5.70 165 156 A 54 SER H A 50 PRO HA 1.0 0.0 5.54 166 157 A 53 VAL H A 50 PRO HBx 1.0 0.0 5.84 167 158 A 53 VAL H A 50 PRO HBy 1.0 0.0 5.84 168 159 A 52 GLN H A 53 VAL HG2% 1.0 0.0 5.68 169 160 A 52 GLN H A 52 GLN HBy 1.0 0.0 4.38 170 161 A 53 VAL H A 51 ASN H 1.0 0.0 5.93 171 162 A 53 VAL HG2% A 49 ASN H 1.0 0.0 5.46 172 163 A 49 ASN H A 48 LYS HB2 1.0 0.0 4.46 173 164 A 43 ALA HB% A 49 ASN H 1.0 0.0 5.67 174 165 A 49 ASN H A 52 GLN HBx 1.0 0.0 5.33 175 166 A 52 GLN H A 49 ASN H 1.0 0.0 5.94 176 167 A 46 LEU HD1% A 48 LYS H 1.0 0.0 5.65 177 168 A 48 LYS H A 46 LEU HB3 1.0 0.0 5.60 178 169 A 48 LYS H A 44 ALA HA 1.0 0.0 6.17 179 170 A 47 ASP H A 46 LEU HD2% 1.0 0.0 5.73 180 171 A 47 ASP H A 46 LEU HB3 1.0 0.0 5.52 181 172 A 47 ASP H A 44 ALA HB% 1.0 0.0 6.23 182 173 A 44 ALA H A 46 LEU H 1.0 0.0 6.14 183 174 A 42 LEU HB3 A 46 LEU H 1.0 0.0 5.29 184 175 A 46 LEU H A 44 ALA HA 1.0 0.0 5.82 185 176 A 45 LYS H A 48 LYS H 1.0 0.0 5.51 186 177 A 44 ALA H A 41 TYR HA 1.0 0.0 5.47 187 178 A 40 ALA HA A 44 ALA H 1.0 0.0 5.69 188 179 A 39 PHE HA A 43 ALA H 1.0 0.0 5.71 189 180 A 43 ALA H A 50 PRO HA 1.0 0.0 6.00 190 181 A 41 TYR H A 43 ALA H 1.0 0.0 5.86 191 182 A 43 ALA H A 45 LYS H 1.0 0.0 6.00 192 183 A 42 LEU H A 44 ALA H 1.0 0.0 5.66 193 184 A 42 LEU H A 38 THR HA 1.0 0.0 5.91 194 185 A 38 THR HG2% A 42 LEU H 1.0 0.0 4.86 195 186 A 42 LEU H A 40 ALA HB% 1.0 0.0 5.81 196 187 A 38 THR HG2% A 41 TYR H 1.0 0.0 6.04 197 188 A 40 ALA H A 43 ALA HB% 1.0 0.0 5.86 198 189 A 40 ALA H A 50 PRO HA 1.0 0.0 5.62 199 190 A 39 PHE HD% A 40 ALA H 1.0 0.0 5.95 200 191 A 39 PHE H A 40 ALA H 1.0 0.0 4.16 201 192 A 38 THR HG2% A 39 PHE H 1.0 0.0 5.23 202 193 A 39 PHE H A 40 ALA HB% 1.0 0.0 5.52 203 194 A 35 SER H A 38 THR H 1.0 0.0 5.20 204 195 A 38 THR H A 40 ALA H 1.0 0.0 5.68 205 196 A 38 THR H A 39 PHE HB3 1.0 0.0 5.68 206 197 A 31 LYS H A 33 GLY H 1.0 0.0 5.69 207 198 A 32 ARG H A 38 THR HG2% 1.0 0.0 5.72 208 199 A 29 CYS H A 31 LYS H 1.0 0.0 5.78 209 200 A 31 LYS H A 27 LEU HD1% 1.0 0.0 5.99 210 201 A 30 GLN H A 27 LEU HD1% 1.0 0.0 5.48 211 202 A 29 CYS H A 42 LEU HD1% 1.0 0.0 5.33 212 203 A 24 VAL HG1% A 28 GLU H 1.0 0.0 5.44 213 204 A 28 GLU H A 30 GLN H 1.0 0.0 6.14 214 205 A 25 ILE H A 25 ILE HB 1.0 0.0 4.03 215 206 A 27 LEU H A 28 GLU HA 1.0 0.0 6.23 216 207 A 26 LEU H A 25 ILE HD1% 1.0 0.0 5.59 217 208 A 24 VAL HG1% A 26 LEU H 1.0 0.0 6.08 218 209 A 26 LEU H A 22 ASP HA 1.0 0.0 5.78 219 210 A 26 LEU H A 23 ARG HA 1.0 0.0 5.60 220 211 A 25 ILE H A 22 ASP H 1.0 0.0 5.53 221 212 A 24 VAL H A 20 ASN HA 1.0 0.0 5.93 222 213 A 24 VAL H A 21 ASP HA 1.0 0.0 5.26 223 214 A 24 VAL HB A 22 ASP H 1.0 0.0 6.18 224 215 A 20 ASN H A 22 ASP H 1.0 0.0 5.75 225 216 A 20 ASN H A 18 THR HA 1.0 0.0 5.51 226 217 A 19 ARG H A 18 THR HB 1.0 0.0 3.75 227 218 A 18 THR H A 22 ASP H 1.0 0.0 5.55 228 219 A 17 TRP H A 18 THR HA 1.0 0.0 6.15 229 220 A 15 ILE HB A 16 LEU H 1.0 0.0 6.10 230 221 A 16 LEU H A 17 TRP H 1.0 0.0 4.76 231 222 A 13 ILE HB A 15 ILE H 1.0 0.0 5.40 232 223 A 13 ILE HA A 12 GLU H 1.0 0.0 6.00 233 224 A 7 ILE HB A 8 LYS H 1.0 0.0 5.46 234 225 A 7 ILE H A 6 VAL HG1% 1.0 0.0 5.78 235 226 A 7 ILE H A 7 ILE HG1x 1.0 0.0 4.73 236 227 A 7 ILE H A 6 VAL HB 1.0 0.0 5.99 237 228 A 6 VAL HG1% A 6 VAL H 1.0 0.0 5.70 238 229 A 17 TRP HE1 A 15 ILE HD1% 1.0 0.0 5.55 239 230 A 17 TRP HE1 A 56 ARG HB2 1.0 0.0 5.59 240 231 A 66 LYS H A 65 GLU HB2 1.0 0.0 5.44 241 231 A 66 LYS H A 65 GLU HB3 1.0 0.0 5.44 242 232 A 18 THR H A 46 LEU HD1% 1.0 0.0 5.72 243 233 A 7 ILE HA A 7 ILE HG2% 1.0 0.0 3.89 244 234 A 13 ILE H A 13 ILE HD1% 1.0 0.0 5.27 245 235 A 7 ILE HA A 7 ILE HD1% 1.0 0.0 4.42 246 236 A 7 ILE HB A 7 ILE HD1% 1.0 0.0 4.29 247 237 A 7 ILE HG2% A 7 ILE HG1x 1.0 0.0 3.76 248 238 A 7 ILE H A 7 ILE HG1y 1.0 0.0 4.73 249 239 A 10 LYS H A 9 LYS HBx 1.0 0.0 5.19 250 240 A 46 LEU H A 45 LYS HB3 1.0 0.0 3.98 251 241 A 62 LYS HD3 A 62 LYS HG2 1.0 0.0 2.78 252 241 A 62 LYS HG3 A 62 LYS HD2 1.0 0.0 2.78 253 241 A 62 LYS HG3 A 62 LYS HD3 1.0 0.0 2.78 254 241 A 62 LYS HD2 A 62 LYS HG2 1.0 0.0 2.78 255 242 A 45 LYS H A 45 LYS HB3 1.0 0.0 4.04 256 243 A 9 LYS HA A 9 LYS HD2 1.0 0.0 4.90 257 243 A 9 LYS HA A 9 LYS HD3 1.0 0.0 4.90 258 244 A 25 ILE HD1% A 22 ASP HA 1.0 0.0 4.55 259 245 A 12 GLU HA A 11 GLY HA2 1.0 0.0 5.34 260 245 A 12 GLU HA A 11 GLY HA3 1.0 0.0 5.34 261 246 A 20 ASN HA A 23 ARG HBx 1.0 0.0 5.02 262 247 A 15 ILE HA A 15 ILE HG2% 1.0 0.0 4.25 263 248 A 15 ILE HA A 15 ILE HD1% 1.0 0.0 4.82 264 249 A 15 ILE HG2% A 15 ILE HD1% 1.0 0.0 4.06 265 250 A 15 ILE H A 15 ILE HG2% 1.0 0.0 5.46 266 251 A 16 LEU H A 15 ILE HG2% 1.0 0.0 4.63 267 252 A 15 ILE H A 15 ILE HG1y 1.0 0.0 4.89 268 253 A 15 ILE H A 15 ILE HG1x 1.0 0.0 4.89 269 254 A 17 TRP H A 16 LEU HA 1.0 0.0 3.46 270 255 A 16 LEU H A 16 LEU HBx 1.0 0.0 4.39 271 256 A 60 LEU HA A 63 LEU HD1% 1.0 0.0 5.07 272 257 A 16 LEU HD1% A 16 LEU HBx 1.0 0.0 4.43 273 258 A 16 LEU H A 16 LEU HBy 1.0 0.0 4.39 274 259 A 16 LEU HD1% A 16 LEU HBy 1.0 0.0 4.43 275 260 A 16 LEU H A 16 LEU HG 1.0 0.0 5.17 276 261 A 17 TRP H A 17 TRP HB2 1.0 0.0 4.18 277 262 A 17 TRP HB2 A 17 TRP HD1 1.0 0.0 4.03 278 263 A 17 TRP HB3 A 17 TRP HZ3 1.0 0.0 5.41 279 264 A 18 THR HG2% A 18 THR HA 1.0 0.0 3.81 280 265 A 18 THR H A 18 THR HG2% 1.0 0.0 4.17 281 266 A 19 ARG H A 18 THR HG2% 1.0 0.0 5.51 282 267 A 18 THR HG2% A 17 TRP HA 1.0 0.0 5.06 283 268 A 16 LEU HD2% A 18 THR HG2% 1.0 0.0 5.55 284 269 A 19 ARG HA A 22 ASP H 1.0 0.0 5.15 285 270 A 19 ARG HA A 19 ARG HD2 1.0 0.0 5.04 286 270 A 19 ARG HA A 19 ARG HD3 1.0 0.0 5.04 287 271 A 19 ARG H A 19 ARG HG2 1.0 0.0 4.34 288 271 A 19 ARG H A 19 ARG HG3 1.0 0.0 4.34 289 272 A 20 ASN HA A 19 ARG HG2 1.0 0.0 5.25 290 272 A 20 ASN HA A 19 ARG HG3 1.0 0.0 5.25 291 273 A 19 ARG HA A 19 ARG HG2 1.0 0.0 4.32 292 273 A 19 ARG HA A 19 ARG HG3 1.0 0.0 4.32 293 274 A 38 THR HG2% A 28 GLU HBx 1.0 0.0 4.70 294 275 A 50 PRO HD3 A 49 ASN HBx 1.0 0.0 4.58 295 275 A 49 ASN HBx A 50 PRO HD2 1.0 0.0 4.58 296 276 A 24 VAL HB A 21 ASP HA 1.0 0.0 4.57 297 277 A 21 ASP HA A 24 VAL HG2% 1.0 0.0 5.09 298 278 A 21 ASP HB2 A 22 ASP H 1.0 0.0 4.71 299 279 A 21 ASP HB2 A 17 TRP HZ3 1.0 0.0 4.94 300 280 A 21 ASP HB2 A 46 LEU HD2% 1.0 0.0 4.45 301 281 A 18 THR H A 21 ASP HB3 1.0 0.0 4.94 302 282 A 21 ASP H A 21 ASP HB3 1.0 0.0 4.27 303 283 A 22 ASP H A 21 ASP HB3 1.0 0.0 4.04 304 284 A 17 TRP HA A 21 ASP HB3 1.0 0.0 5.64 305 285 A 25 ILE HB A 22 ASP HA 1.0 0.0 4.71 306 286 A 60 LEU HD1% A 22 ASP HA 1.0 0.0 4.43 307 287 A 23 ARG H A 22 ASP HBx 1.0 0.0 4.80 308 288 A 60 LEU HD1% A 22 ASP HBx 1.0 0.0 5.50 309 289 A 60 LEU HD1% A 22 ASP HBy 1.0 0.0 5.50 310 290 A 26 LEU HG A 23 ARG HA 1.0 0.0 4.53 311 291 A 20 ASN HA A 23 ARG HBy 1.0 0.0 5.02 312 292 A 24 VAL HA A 27 LEU HBy 1.0 0.0 4.80 313 293 A 24 VAL HA A 24 VAL HG2% 1.0 0.0 3.83 314 294 A 24 VAL HG1% A 24 VAL HA 1.0 0.0 3.89 315 295 A 46 LEU HD2% A 46 LEU HA 1.0 0.0 3.69 316 296 A 46 LEU HD2% A 21 ASP HA 1.0 0.0 4.30 317 297 A 24 VAL HG1% A 28 GLU HGy 1.0 0.0 5.04 318 298 A 46 LEU HB3 A 46 LEU HD2% 1.0 0.0 4.08 319 299 A 24 VAL HG1% A 45 LYS HD2 1.0 0.0 4.75 320 299 A 24 VAL HG1% A 45 LYS HD3 1.0 0.0 4.75 321 300 A 25 ILE H A 24 VAL HG2% 1.0 0.0 5.34 322 301 A 24 VAL H A 24 VAL HG2% 1.0 0.0 3.90 323 302 A 26 LEU H A 25 ILE HB 1.0 0.0 3.96 324 303 A 25 ILE HD1% A 25 ILE HA 1.0 0.0 5.24 325 304 A 25 ILE H A 25 ILE HD1% 1.0 0.0 4.92 326 305 A 53 VAL HA A 25 ILE HD1% 1.0 0.0 5.20 327 306 A 25 ILE HD1% A 25 ILE HB 1.0 0.0 4.24 328 307 A 26 LEU H A 25 ILE HG2% 1.0 0.0 4.40 329 308 A 25 ILE HG2% A 57 PHE HD1 1.0 0.0 4.16 330 309 A 25 ILE HG2% A 39 PHE HD% 1.0 0.0 5.52 331 310 A 25 ILE HG2% A 25 ILE HA 1.0 0.0 3.87 332 311 A 25 ILE HG2% A 57 PHE HB2 1.0 0.0 4.54 333 312 A 60 LEU HD1% A 25 ILE HG2% 1.0 0.0 3.39 334 313 A 25 ILE HG2% A 25 ILE HD1% 1.0 0.0 3.75 335 314 A 25 ILE H A 25 ILE HG1y 1.0 0.0 4.59 336 315 A 46 LEU HD1% A 25 ILE HG1y 1.0 0.0 4.86 337 316 A 25 ILE H A 25 ILE HG1x 1.0 0.0 4.59 338 317 A 46 LEU HD1% A 25 ILE HG1x 1.0 0.0 4.86 339 318 A 27 LEU H A 27 LEU HBy 1.0 0.0 3.86 340 319 A 26 LEU H A 26 LEU HD2% 1.0 0.0 5.64 341 320 A 64 PHE HD% A 26 LEU HD2% 1.0 0.0 5.25 342 321 A 57 PHE HD1 A 26 LEU HD2% 1.0 0.0 5.06 343 322 A 26 LEU HD2% A 26 LEU HBx 1.0 0.0 4.44 344 323 A 60 LEU HB2 A 26 LEU HD2% 1.0 0.0 4.50 345 324 A 26 LEU HD1% A 26 LEU HBx 1.0 0.0 4.12 346 325 A 26 LEU HG A 60 LEU HD1% 1.0 0.0 4.77 347 326 A 27 LEU H A 27 LEU HBx 1.0 0.0 3.86 348 327 A 24 VAL HA A 27 LEU HBx 1.0 0.0 4.80 349 328 A 25 ILE H A 42 LEU HD2% 1.0 0.0 4.73 350 329 A 27 LEU HA A 27 LEU HD1% 1.0 0.0 4.05 351 330 A 29 CYS HA A 38 THR HG2% 1.0 0.0 3.75 352 331 A 60 LEU HD1% A 60 LEU HB3 1.0 0.0 4.42 353 332 A 27 LEU H A 27 LEU HG 1.0 0.0 4.89 354 333 A 41 TYR HE% A 28 GLU HGx 1.0 0.0 4.90 355 334 A 38 THR HG2% A 28 GLU HBy 1.0 0.0 4.70 356 335 A 32 ARG H A 29 CYS HA 1.0 0.0 5.49 357 336 A 52 GLN H A 52 GLN HBx 1.0 0.0 4.38 358 337 A 30 GLN H A 30 GLN HBy 1.0 0.0 4.05 359 338 A 31 LYS H A 31 LYS HG2 1.0 0.0 4.76 360 338 A 31 LYS H A 31 LYS HG3 1.0 0.0 4.76 361 339 A 32 ARG H A 31 LYS HBy 1.0 0.0 5.22 362 340 A 32 ARG H A 31 LYS HBx 1.0 0.0 5.22 363 341 A 42 LEU H A 42 LEU HG 1.0 0.0 4.23 364 342 A 51 ASN H A 50 PRO HGx 1.0 0.0 6.03 365 343 A 42 LEU HG A 41 TYR HD% 1.0 0.0 3.96 366 344 A 38 THR HG2% A 32 ARG HDy 1.0 0.0 5.23 367 345 A 25 ILE HG2% A 57 PHE HA 1.0 0.0 4.64 368 346 A 65 GLU H A 65 GLU HB2 1.0 0.0 4.05 369 346 A 65 GLU H A 65 GLU HB3 1.0 0.0 4.05 370 347 A 55 GLU H A 55 GLU HBx 1.0 0.0 4.39 371 348 A 52 GLN HA A 55 GLU HBx 1.0 0.0 5.23 372 349 A 40 ALA HB% A 37 LYS HA 1.0 0.0 4.06 373 350 A 61 MET H A 61 MET HB2 1.0 0.0 4.05 374 350 A 61 MET H A 61 MET HB3 1.0 0.0 4.05 375 351 A 39 PHE H A 38 THR HB 1.0 0.0 4.06 376 352 A 35 SER H A 38 THR HB 1.0 0.0 4.60 377 353 A 41 TYR H A 38 THR HA 1.0 0.0 4.99 378 354 A 38 THR HA A 41 TYR HBx 1.0 0.0 5.11 379 355 A 38 THR HG2% A 38 THR HA 1.0 0.0 4.18 380 356 A 38 THR HG2% A 41 TYR HD% 1.0 0.0 4.04 381 357 A 42 LEU HD2% A 42 LEU HA 1.0 0.0 3.60 382 358 A 38 THR HG2% A 32 ARG HDx 1.0 0.0 5.23 383 359 A 42 LEU HD2% A 45 LYS HD2 1.0 0.0 4.87 384 359 A 42 LEU HD2% A 45 LYS HD3 1.0 0.0 4.87 385 360 A 39 PHE HD% A 39 PHE HA 1.0 0.0 3.87 386 361 A 39 PHE H A 39 PHE HB2 1.0 0.0 4.07 387 362 A 39 PHE HB2 A 53 VAL HG1% 1.0 0.0 5.66 388 363 A 50 PRO HA A 39 PHE HB3 1.0 0.0 5.50 389 364 A 40 ALA H A 40 ALA HB% 1.0 0.0 3.55 390 365 A 40 ALA HA A 43 ALA HB% 1.0 0.0 4.18 391 366 A 42 LEU H A 41 TYR HBy 1.0 0.0 4.95 392 367 A 41 TYR H A 41 TYR HBy 1.0 0.0 4.35 393 368 A 42 LEU H A 41 TYR HBx 1.0 0.0 4.95 394 369 A 41 TYR H A 41 TYR HBx 1.0 0.0 4.35 395 370 A 42 LEU HA A 45 LYS HB2 1.0 0.0 4.84 396 371 A 39 PHE HD% A 42 LEU HD1% 1.0 0.0 4.63 397 372 A 39 PHE HA A 42 LEU HD1% 1.0 0.0 4.89 398 373 A 42 LEU HD1% A 25 ILE HG1x 1.0 0.0 4.79 399 374 A 45 LYS H A 44 ALA HB% 1.0 0.0 4.18 400 375 A 48 LYS H A 43 ALA HA 1.0 0.0 4.59 401 376 A 48 LYS HB2 A 43 ALA HA 1.0 0.0 4.46 402 377 A 53 VAL HG2% A 43 ALA HA 1.0 0.0 4.16 403 378 A 46 LEU H A 45 LYS HB2 1.0 0.0 5.08 404 379 A 45 LYS H A 45 LYS HB2 1.0 0.0 4.35 405 380 A 24 VAL HG1% A 45 LYS HB2 1.0 0.0 5.27 406 381 A 45 LYS HA A 45 LYS HD2 1.0 0.0 5.49 407 381 A 45 LYS HD3 A 45 LYS HA 1.0 0.0 5.49 408 382 A 42 LEU HA A 45 LYS HB3 1.0 0.0 4.46 409 383 A 25 ILE H A 46 LEU HD1% 1.0 0.0 5.69 410 384 A 46 LEU HD1% A 46 LEU HA 1.0 0.0 5.47 411 385 A 46 LEU HD1% A 21 ASP HA 1.0 0.0 4.13 412 386 A 42 LEU HA A 46 LEU HD1% 1.0 0.0 5.63 413 387 A 21 ASP HB2 A 46 LEU HD1% 1.0 0.0 5.51 414 388 A 46 LEU HB2 A 46 LEU HD1% 1.0 0.0 4.15 415 389 A 42 LEU HB3 A 46 LEU HD1% 1.0 0.0 4.53 416 390 A 46 LEU HD1% A 48 LYS HG2 1.0 0.0 5.15 417 390 A 46 LEU HD1% A 48 LYS HG3 1.0 0.0 5.15 418 391 A 46 LEU HB3 A 48 LYS HG2 1.0 0.0 4.85 419 391 A 46 LEU HB3 A 48 LYS HG3 1.0 0.0 4.85 420 392 A 46 LEU HD1% A 46 LEU HB3 1.0 0.0 4.06 421 393 A 46 LEU H A 46 LEU HD2% 1.0 0.0 5.44 422 394 A 25 ILE HD1% A 46 LEU HD2% 1.0 0.0 5.19 423 395 A 48 LYS H A 48 LYS HG2 1.0 0.0 5.45 424 395 A 48 LYS H A 48 LYS HG3 1.0 0.0 5.45 425 396 A 17 TRP HH2 A 48 LYS HG2 1.0 0.0 4.64 426 396 A 48 LYS HG3 A 17 TRP HH2 1.0 0.0 4.64 427 397 A 48 LYS H A 48 LYS HB2 1.0 0.0 4.15 428 398 A 53 VAL HG2% A 48 LYS HB2 1.0 0.0 4.83 429 399 A 10 LYS H A 9 LYS HD2 1.0 0.0 5.24 430 399 A 10 LYS H A 9 LYS HD3 1.0 0.0 5.24 431 400 A 49 ASN H A 48 LYS HB3 1.0 0.0 3.93 432 401 A 53 VAL HG2% A 48 LYS HB3 1.0 0.0 4.54 433 402 A 49 ASN HA A 50 PRO HD2 1.0 0.0 3.59 434 402 A 50 PRO HD3 A 49 ASN HA 1.0 0.0 3.59 435 403 A 43 ALA HB% A 49 ASN HA 1.0 0.0 4.43 436 404 A 43 ALA HB% A 50 PRO HA 1.0 0.0 3.83 437 405 A 50 PRO HD3 A 49 ASN HBy 1.0 0.0 4.58 438 405 A 49 ASN HBy A 50 PRO HD2 1.0 0.0 4.58 439 406 A 43 ALA HB% A 50 PRO HD2 1.0 0.0 4.13 440 406 A 43 ALA HB% A 50 PRO HD3 1.0 0.0 4.13 441 407 A 51 ASN H A 51 ASN HB2 1.0 0.0 4.39 442 407 A 51 ASN H A 51 ASN HB3 1.0 0.0 4.39 443 408 A 54 SER H A 52 GLN HA 1.0 0.0 5.25 444 409 A 52 GLN HA A 52 GLN HG2 1.0 0.0 3.94 445 409 A 52 GLN HG3 A 52 GLN HA 1.0 0.0 3.94 446 410 A 56 ARG HB3 A 53 VAL HA 1.0 0.0 5.24 447 411 A 53 VAL HG1% A 53 VAL HA 1.0 0.0 3.78 448 412 A 43 ALA H A 53 VAL HG2% 1.0 0.0 5.07 449 413 A 54 SER H A 53 VAL HG2% 1.0 0.0 5.29 450 414 A 53 VAL HG2% A 17 TRP HH2 1.0 0.0 4.37 451 415 A 53 VAL HG2% A 50 PRO HA 1.0 0.0 4.65 452 416 A 43 ALA HB% A 53 VAL HG2% 1.0 0.0 4.01 453 417 A 53 VAL HG1% A 54 SER H 1.0 0.0 4.57 454 418 A 39 PHE HD% A 53 VAL HG1% 1.0 0.0 3.86 455 419 A 39 PHE HA A 53 VAL HG1% 1.0 0.0 4.34 456 420 A 43 ALA HB% A 53 VAL HG1% 1.0 0.0 5.43 457 421 A 39 PHE HD% A 53 VAL HB 1.0 0.0 5.51 458 422 A 53 VAL HB A 50 PRO HA 1.0 0.0 4.91 459 423 A 57 PHE H A 54 SER HA 1.0 0.0 5.17 460 424 A 39 PHE HD% A 54 SER HA 1.0 0.0 5.12 461 425 A 52 GLN HA A 55 GLU HBy 1.0 0.0 5.23 462 426 A 56 ARG HA A 56 ARG HDy 1.0 0.0 4.67 463 427 A 56 ARG HA A 59 GLN HBy 1.0 0.0 4.98 464 428 A 56 ARG HA A 56 ARG HDx 1.0 0.0 4.67 465 429 A 56 ARG H A 56 ARG HB2 1.0 0.0 4.33 466 430 A 56 ARG HB3 A 25 ILE HD1% 1.0 0.0 5.25 467 431 A 57 PHE HD1 A 57 PHE HA 1.0 0.0 4.34 468 432 A 60 LEU HD1% A 57 PHE HA 1.0 0.0 4.76 469 433 A 57 PHE H A 57 PHE HB2 1.0 0.0 4.11 470 434 A 58 GLN H A 57 PHE HB2 1.0 0.0 5.20 471 435 A 39 PHE HE% A 57 PHE HB2 1.0 0.0 5.44 472 436 A 39 PHE HD% A 57 PHE HB3 1.0 0.0 5.52 473 437 A 59 GLN HA A 62 LYS HD2 1.0 0.0 5.37 474 437 A 59 GLN HA A 62 LYS HD3 1.0 0.0 5.37 475 438 A 59 GLN H A 59 GLN HGx 1.0 0.0 5.07 476 439 A 59 GLN H A 59 GLN HGy 1.0 0.0 5.07 477 440 A 60 LEU H A 60 LEU HD2% 1.0 0.0 4.70 478 441 A 22 ASP HA A 60 LEU HD2% 1.0 0.0 5.64 479 442 A 60 LEU HB2 A 60 LEU HD2% 1.0 0.0 4.26 480 443 A 25 ILE H A 60 LEU HD1% 1.0 0.0 5.35 481 444 A 57 PHE HE1 A 61 MET HB2 1.0 0.0 5.72 482 444 A 61 MET HB3 A 57 PHE HE1 1.0 0.0 5.72 483 445 A 58 GLN HA A 61 MET HB2 1.0 0.0 4.75 484 445 A 61 MET HB3 A 58 GLN HA 1.0 0.0 4.75 485 446 A 57 PHE HE1 A 61 MET HE% 1.0 0.0 5.21 486 447 A 64 PHE HD% A 61 MET HE% 1.0 0.0 5.15 487 448 A 61 MET HA A 61 MET HE% 1.0 0.0 5.19 488 449 A 61 MET HE% A 61 MET HB2 1.0 0.0 3.38 489 449 A 61 MET HB3 A 61 MET HE% 1.0 0.0 3.38 490 450 A 62 LYS HA A 65 GLU HB2 1.0 0.0 4.51 491 450 A 65 GLU HB3 A 62 LYS HA 1.0 0.0 4.51 492 451 A 62 LYS H A 62 LYS HB2 1.0 0.0 3.84 493 451 A 62 LYS H A 62 LYS HB3 1.0 0.0 3.84 494 452 A 59 GLN HA A 62 LYS HB2 1.0 0.0 4.99 495 452 A 59 GLN HA A 62 LYS HB3 1.0 0.0 4.99 496 453 A 63 LEU H A 63 LEU HD2% 1.0 0.0 5.66 497 454 A 63 LEU HA A 63 LEU HD2% 1.0 0.0 3.99 498 455 A 64 PHE H A 63 LEU HB2 1.0 0.0 5.25 499 456 A 63 LEU H A 63 LEU HB2 1.0 0.0 3.84 500 457 A 60 LEU HA A 63 LEU HB2 1.0 0.0 5.28 501 458 A 63 LEU HD1% A 63 LEU HA 1.0 0.0 5.52 502 459 A 63 LEU H A 63 LEU HG 1.0 0.0 4.76 503 460 A 61 MET HA A 64 PHE HBy 1.0 0.0 5.79 504 461 A 61 MET HA A 64 PHE HBx 1.0 0.0 5.79 505 462 A 30 GLN H A 28 GLU HA 1.0 0.0 5.42 506 463 A 66 LYS HA A 67 SER HB2 1.0 0.0 6.27 507 463 A 66 LYS HA A 67 SER HB3 1.0 0.0 6.27 508 464 A 64 PHE H A 65 GLU HB2 1.0 0.0 6.30 509 464 A 64 PHE H A 65 GLU HB3 1.0 0.0 6.30 510 465 A 65 GLU HB3 A 64 PHE HBy 1.0 0.0 6.17 511 465 A 64 PHE HBy A 65 GLU HB2 1.0 0.0 6.17 512 466 A 65 GLU HB3 A 64 PHE HBx 1.0 0.0 6.17 513 466 A 64 PHE HBx A 65 GLU HB2 1.0 0.0 6.17 514 467 A 17 TRP H A 16 LEU HD1% 1.0 0.0 5.50 515 468 A 60 LEU HA A 63 LEU HG 1.0 0.0 6.11 516 469 A 60 LEU HA A 63 LEU HB3 1.0 0.0 5.86 517 470 A 63 LEU HA A 62 LYS HB2 1.0 0.0 6.28 518 470 A 62 LYS HB3 A 63 LEU HA 1.0 0.0 6.28 519 471 A 62 LYS H A 63 LEU HA 1.0 0.0 6.30 520 472 A 62 LYS HA A 62 LYS HD2 1.0 0.0 4.99 521 472 A 62 LYS HD3 A 62 LYS HA 1.0 0.0 4.99 522 473 A 64 PHE H A 61 MET HA 1.0 0.0 5.35 523 474 A 62 LYS HA A 61 MET HB2 1.0 0.0 5.93 524 474 A 61 MET HB3 A 62 LYS HA 1.0 0.0 5.93 525 475 A 64 PHE H A 61 MET HB2 1.0 0.0 5.74 526 475 A 61 MET HB3 A 64 PHE H 1.0 0.0 5.74 527 476 A 60 LEU H A 61 MET HB2 1.0 0.0 6.30 528 476 A 60 LEU H A 61 MET HB3 1.0 0.0 6.30 529 477 A 60 LEU HB2 A 61 MET HE% 1.0 0.0 5.68 530 478 A 60 LEU HA A 62 LYS HB2 1.0 0.0 6.13 531 478 A 60 LEU HA A 62 LYS HB3 1.0 0.0 6.13 532 479 A 60 LEU HD1% A 60 LEU HA 1.0 0.0 5.07 533 480 A 60 LEU HA A 26 LEU HD1% 1.0 0.0 5.33 534 481 A 59 GLN H A 60 LEU HB3 1.0 0.0 5.83 535 482 A 61 MET H A 60 LEU HB3 1.0 0.0 4.56 536 483 A 60 LEU H A 60 LEU HB3 1.0 0.0 4.25 537 484 A 60 LEU HB3 A 57 PHE HA 1.0 0.0 5.03 538 485 A 26 LEU HD1% A 60 LEU HB3 1.0 0.0 5.18 539 486 A 60 LEU HB2 A 57 PHE HA 1.0 0.0 5.57 540 487 A 25 ILE HG2% A 60 LEU HG 1.0 0.0 5.84 541 488 A 60 LEU HD1% A 23 ARG HA 1.0 0.0 5.91 542 489 A 60 LEU HD1% A 25 ILE HB 1.0 0.0 5.84 543 490 A 60 LEU HA A 60 LEU HD2% 1.0 0.0 3.89 544 491 A 23 ARG HA A 60 LEU HD2% 1.0 0.0 5.29 545 492 A 23 ARG H A 60 LEU HD2% 1.0 0.0 6.16 546 493 A 58 GLN H A 59 GLN HA 1.0 0.0 5.87 547 494 A 60 LEU H A 59 GLN HBy 1.0 0.0 4.85 548 495 A 17 TRP HH2 A 52 GLN HBx 1.0 0.0 5.51 549 496 A 56 ARG HA A 59 GLN HBx 1.0 0.0 4.98 550 497 A 57 PHE HD1 A 58 GLN HA 1.0 0.0 6.01 551 498 A 61 MET H A 58 GLN HA 1.0 0.0 5.43 552 499 A 60 LEU H A 58 GLN HA 1.0 0.0 6.21 553 500 A 58 GLN HA A 61 MET HE% 1.0 0.0 6.05 554 501 A 57 PHE HD1 A 58 GLN HGx 1.0 0.0 5.81 555 502 A 57 PHE HD1 A 58 GLN HGy 1.0 0.0 5.81 556 503 A 58 GLN H A 58 GLN HGy 1.0 0.0 4.79 557 504 A 57 PHE HA A 57 PHE HE1 1.0 0.0 6.30 558 505 A 57 PHE HB3 A 54 SER HA 1.0 0.0 4.71 559 506 A 57 PHE HB2 A 58 GLN HA 1.0 0.0 6.17 560 507 A 53 VAL HG1% A 57 PHE HB2 1.0 0.0 5.74 561 508 A 58 GLN H A 56 ARG HA 1.0 0.0 5.73 562 509 A 60 LEU H A 56 ARG HA 1.0 0.0 6.13 563 510 A 60 LEU HD1% A 56 ARG HA 1.0 0.0 5.60 564 511 A 56 ARG HB3 A 57 PHE HA 1.0 0.0 6.18 565 512 A 56 ARG HB3 A 17 TRP HZ2 1.0 0.0 6.09 566 513 A 57 PHE H A 56 ARG HB2 1.0 0.0 6.25 567 514 A 56 ARG HB2 A 17 TRP HZ2 1.0 0.0 5.58 568 515 A 53 VAL HA A 56 ARG HB2 1.0 0.0 6.01 569 516 A 57 PHE HB3 A 56 ARG HB2 1.0 0.0 6.27 570 517 A 56 ARG H A 55 GLU HBx 1.0 0.0 4.66 571 518 A 56 ARG H A 55 GLU HBy 1.0 0.0 4.66 572 519 A 56 ARG H A 55 GLU HGy 1.0 0.0 6.12 573 520 A 56 ARG H A 55 GLU HGx 1.0 0.0 6.12 574 521 A 53 VAL HG1% A 54 SER HA 1.0 0.0 6.00 575 522 A 53 VAL HA A 54 SER HA 1.0 0.0 6.29 576 523 A 53 VAL HA A 17 TRP HZ2 1.0 0.0 5.11 577 524 A 53 VAL HB A 39 PHE HB3 1.0 0.0 5.37 578 525 A 42 LEU HB3 A 53 VAL HG1% 1.0 0.0 4.08 579 526 A 53 VAL HG1% A 42 LEU HG 1.0 0.0 5.93 580 527 A 53 VAL HG1% A 39 PHE HB3 1.0 0.0 5.13 581 528 A 53 VAL HG1% A 50 PRO HA 1.0 0.0 5.81 582 529 A 53 VAL HG2% A 48 LYS H 1.0 0.0 5.75 583 530 A 53 VAL HG2% A 25 ILE HD1% 1.0 0.0 5.02 584 531 A 25 ILE HG2% A 53 VAL HG2% 1.0 0.0 4.75 585 532 A 42 LEU HB3 A 53 VAL HG2% 1.0 0.0 3.78 586 533 A 53 VAL HG2% A 53 VAL HA 1.0 0.0 4.20 587 534 A 17 TRP HZ2 A 52 GLN HG2 1.0 0.0 5.18 588 534 A 52 GLN HG3 A 17 TRP HZ2 1.0 0.0 5.18 589 535 A 49 ASN H A 52 GLN HG2 1.0 0.0 5.57 590 535 A 52 GLN HG3 A 49 ASN H 1.0 0.0 5.57 591 536 A 53 VAL HG2% A 52 GLN HG2 1.0 0.0 6.22 592 536 A 52 GLN HG3 A 53 VAL HG2% 1.0 0.0 6.22 593 537 A 48 LYS HD2 A 52 GLN HG2 1.0 0.0 6.22 594 537 A 48 LYS HD3 A 52 GLN HG2 1.0 0.0 6.22 595 537 A 52 GLN HG3 A 48 LYS HD2 1.0 0.0 6.22 596 537 A 52 GLN HG3 A 48 LYS HD3 1.0 0.0 6.22 597 538 A 48 LYS HB3 A 52 GLN HG2 1.0 0.0 4.82 598 538 A 52 GLN HG3 A 48 LYS HB3 1.0 0.0 4.82 599 539 A 53 VAL HB A 51 ASN HA 1.0 0.0 5.62 600 540 A 54 SER H A 51 ASN HA 1.0 0.0 4.94 601 541 A 53 VAL HA A 50 PRO HA 1.0 0.0 6.09 602 542 A 53 VAL H A 50 PRO HA 1.0 0.0 5.72 603 543 A 51 ASN H A 50 PRO HGy 1.0 0.0 6.03 604 544 A 49 ASN H A 50 PRO HD2 1.0 0.0 5.68 605 544 A 49 ASN H A 50 PRO HD3 1.0 0.0 5.68 606 545 A 52 GLN H A 49 ASN HA 1.0 0.0 5.91 607 546 A 46 LEU H A 47 ASP HA 1.0 0.0 6.01 608 547 A 48 LYS H A 46 LEU HA 1.0 0.0 5.41 609 548 A 46 LEU HB2 A 48 LYS HG2 1.0 0.0 4.82 610 548 A 46 LEU HB2 A 48 LYS HG3 1.0 0.0 4.82 611 549 A 20 ASN H A 19 ARG HG2 1.0 0.0 4.70 612 549 A 20 ASN H A 19 ARG HG3 1.0 0.0 4.70 613 550 A 42 LEU HD2% A 46 LEU HG 1.0 0.0 3.98 614 551 A 42 LEU HB3 A 46 LEU HG 1.0 0.0 5.79 615 552 A 24 VAL HB A 46 LEU HD1% 1.0 0.0 5.52 616 553 A 46 LEU HD1% A 17 TRP HH2 1.0 0.0 6.28 617 554 A 25 ILE H A 46 LEU HD2% 1.0 0.0 5.90 618 555 A 47 ASP H A 44 ALA HA 1.0 0.0 4.97 619 556 A 43 ALA HA A 48 LYS HB3 1.0 0.0 5.64 620 557 A 53 VAL HB A 43 ALA HA 1.0 0.0 5.71 621 558 A 46 LEU H A 43 ALA HA 1.0 0.0 5.87 622 559 A 43 ALA HB% A 50 PRO HBx 1.0 0.0 5.21 623 560 A 43 ALA HB% A 50 PRO HBy 1.0 0.0 5.21 624 561 A 42 LEU HB2 A 43 ALA HB% 1.0 0.0 4.74 625 562 A 43 ALA HB% A 53 VAL HB 1.0 0.0 5.99 626 563 A 44 ALA HB% A 41 TYR HA 1.0 0.0 4.66 627 564 A 41 TYR H A 43 ALA HB% 1.0 0.0 5.46 628 565 A 44 ALA H A 42 LEU HA 1.0 0.0 5.93 629 566 A 42 LEU HA A 41 TYR HD% 1.0 0.0 4.62 630 567 A 24 VAL HG1% A 42 LEU HA 1.0 0.0 4.98 631 568 A 43 ALA HB% A 42 LEU HA 1.0 0.0 5.88 632 569 A 42 LEU HA A 46 LEU HG 1.0 0.0 5.64 633 570 A 42 LEU HA A 25 ILE HG1y 1.0 0.0 5.95 634 571 A 38 THR HG2% A 42 LEU HB2 1.0 0.0 4.90 635 572 A 42 LEU HB2 A 53 VAL HG1% 1.0 0.0 4.04 636 573 A 25 ILE HG2% A 42 LEU HB3 1.0 0.0 4.74 637 574 A 42 LEU HD1% A 42 LEU HB3 1.0 0.0 4.37 638 575 A 42 LEU HB3 A 43 ALA HA 1.0 0.0 5.42 639 576 A 39 PHE HA A 42 LEU HB3 1.0 0.0 5.43 640 577 A 38 THR HG2% A 42 LEU HG 1.0 0.0 3.72 641 578 A 39 PHE HA A 42 LEU HG 1.0 0.0 6.07 642 579 A 42 LEU HD1% A 25 ILE HB 1.0 0.0 5.02 643 580 A 42 LEU HD1% A 25 ILE HG1y 1.0 0.0 4.79 644 581 A 42 LEU HB2 A 42 LEU HD1% 1.0 0.0 4.32 645 582 A 42 LEU HD1% A 42 LEU HA 1.0 0.0 4.60 646 583 A 29 CYS HA A 42 LEU HD1% 1.0 0.0 4.65 647 584 A 29 CYS H A 38 THR HG2% 1.0 0.0 5.57 648 585 A 38 THR HG2% A 28 GLU HA 1.0 0.0 5.86 649 586 A 38 THR HG2% A 32 ARG HA 1.0 0.0 5.97 650 587 A 42 LEU HD2% A 42 LEU HB3 1.0 0.0 3.98 651 588 A 38 THR HG2% A 41 TYR HBy 1.0 0.0 6.30 652 589 A 40 ALA HA A 39 PHE HB3 1.0 0.0 6.09 653 590 A 40 ALA HA A 43 ALA HA 1.0 0.0 6.16 654 591 A 40 ALA HA A 53 VAL HG2% 1.0 0.0 6.00 655 592 A 40 ALA HB% A 41 TYR HA 1.0 0.0 5.27 656 593 A 39 PHE HA A 53 VAL HB 1.0 0.0 4.73 657 594 A 39 PHE HA A 42 LEU HB2 1.0 0.0 4.74 658 595 A 38 THR HG2% A 39 PHE HA 1.0 0.0 4.88 659 596 A 40 ALA H A 39 PHE HB3 1.0 0.0 5.40 660 597 A 39 PHE HB2 A 42 LEU HB2 1.0 0.0 5.86 661 598 A 38 THR HA A 32 ARG HG2 1.0 0.0 6.00 662 598 A 38 THR HA A 32 ARG HG3 1.0 0.0 6.00 663 599 A 38 THR HA A 41 TYR HD% 1.0 0.0 5.64 664 600 A 38 THR HA A 41 TYR HBy 1.0 0.0 5.11 665 601 A 38 THR HG2% A 41 TYR HBx 1.0 0.0 6.30 666 602 A 33 GLY H A 38 THR HG2% 1.0 0.0 5.91 667 603 A 38 THR HG2% A 38 THR H 1.0 0.0 5.85 668 604 A 28 GLU H A 27 LEU HD1% 1.0 0.0 5.74 669 605 A 40 ALA H A 37 LYS HA 1.0 0.0 5.30 670 606 A 34 PRO HA A 35 SER HA 1.0 0.0 6.01 671 607 A 34 PRO HA A 38 THR HG2% 1.0 0.0 5.27 672 608 A 8 LYS HB2 A 8 LYS HE2 1.0 0.0 5.71 673 608 A 8 LYS HB3 A 8 LYS HE2 1.0 0.0 5.71 674 608 A 8 LYS HE3 A 8 LYS HB2 1.0 0.0 5.71 675 608 A 8 LYS HB3 A 8 LYS HE3 1.0 0.0 5.71 676 609 A 38 THR HG2% A 32 ARG HG2 1.0 0.0 4.80 677 609 A 38 THR HG2% A 32 ARG HG3 1.0 0.0 4.80 678 610 A 41 TYR HD% A 32 ARG HDx 1.0 0.0 6.26 679 611 A 41 TYR HD% A 32 ARG HDy 1.0 0.0 6.26 680 612 A 33 GLY H A 30 GLN HA 1.0 0.0 6.12 681 613 A 31 LYS H A 29 CYS HA 1.0 0.0 6.30 682 614 A 30 GLN H A 29 CYS HBx 1.0 0.0 5.39 683 615 A 28 GLU HA A 31 LYS HA 1.0 0.0 5.78 684 616 A 29 CYS HA A 28 GLU HA 1.0 0.0 5.48 685 617 A 32 ARG H A 28 GLU HA 1.0 0.0 5.38 686 618 A 31 LYS H A 28 GLU HA 1.0 0.0 4.99 687 619 A 24 VAL HG1% A 28 GLU HGx 1.0 0.0 5.04 688 620 A 24 VAL HA A 27 LEU HG 1.0 0.0 5.65 689 621 A 28 GLU H A 27 LEU HG 1.0 0.0 5.91 690 622 A 26 LEU HD2% A 26 LEU HA 1.0 0.0 4.02 691 623 A 25 ILE HG2% A 26 LEU HA 1.0 0.0 4.58 692 624 A 29 CYS H A 26 LEU HA 1.0 0.0 5.28 693 625 A 23 ARG HA A 26 LEU HBx 1.0 0.0 5.83 694 626 A 60 LEU HD1% A 26 LEU HBx 1.0 0.0 5.64 695 627 A 60 LEU HD1% A 26 LEU HBy 1.0 0.0 5.64 696 628 A 23 ARG HA A 26 LEU HBy 1.0 0.0 5.83 697 629 A 25 ILE H A 26 LEU HG 1.0 0.0 6.14 698 630 A 27 LEU H A 26 LEU HD2% 1.0 0.0 5.96 699 631 A 26 LEU HD2% A 60 LEU HB3 1.0 0.0 4.01 700 632 A 26 LEU HD2% A 26 LEU HBy 1.0 0.0 4.44 701 633 A 24 VAL HG2% A 25 ILE HA 1.0 0.0 5.68 702 634 A 29 CYS H A 25 ILE HA 1.0 0.0 6.05 703 635 A 25 ILE HB A 26 LEU HD2% 1.0 0.0 4.90 704 636 A 25 ILE HG2% A 57 PHE HE1 1.0 0.0 5.75 705 637 A 25 ILE HG2% A 57 PHE HB3 1.0 0.0 5.37 706 638 A 26 LEU HG A 25 ILE HG2% 1.0 0.0 5.16 707 639 A 25 ILE HG2% A 53 VAL HG1% 1.0 0.0 3.86 708 640 A 42 LEU HA A 25 ILE HG1x 1.0 0.0 5.95 709 641 A 46 LEU HD1% A 25 ILE HD1% 1.0 0.0 4.26 710 642 A 53 VAL HG1% A 25 ILE HD1% 1.0 0.0 4.28 711 643 A 21 ASP HB2 A 25 ILE HD1% 1.0 0.0 5.76 712 644 A 25 ILE HD1% A 57 PHE HA 1.0 0.0 6.21 713 645 A 25 ILE HD1% A 17 TRP HH2 1.0 0.0 5.70 714 646 A 25 ILE HD1% A 17 TRP HZ2 1.0 0.0 6.04 715 647 A 25 ILE HD1% A 17 TRP HZ3 1.0 0.0 5.66 716 648 A 25 ILE HD1% A 22 ASP H 1.0 0.0 6.01 717 649 A 24 VAL HB A 27 LEU HD2% 1.0 0.0 5.78 718 650 A 24 VAL HG2% A 23 ARG HBx 1.0 0.0 5.80 719 651 A 24 VAL HG2% A 45 LYS HD2 1.0 0.0 5.30 720 651 A 24 VAL HG2% A 45 LYS HD3 1.0 0.0 5.30 721 652 A 24 VAL HG2% A 23 ARG HBy 1.0 0.0 5.80 722 653 A 25 ILE HG2% A 22 ASP HA 1.0 0.0 5.66 723 654 A 23 ARG H A 21 ASP HA 1.0 0.0 6.07 724 655 A 24 VAL H A 21 ASP HB3 1.0 0.0 5.95 725 656 A 21 ASP HB2 A 17 TRP HA 1.0 0.0 5.90 726 657 A 23 ARG H A 20 ASN HA 1.0 0.0 5.19 727 658 A 21 ASP H A 19 ARG HA 1.0 0.0 5.55 728 659 A 18 THR HB A 19 ARG HD2 1.0 0.0 5.82 729 659 A 18 THR HB A 19 ARG HD3 1.0 0.0 5.82 730 660 A 17 TRP H A 18 THR HG2% 1.0 0.0 5.96 731 661 A 20 ASN H A 18 THR HG2% 1.0 0.0 5.45 732 662 A 18 THR H A 17 TRP HB2 1.0 0.0 6.05 733 663 A 16 LEU HA A 17 TRP HD1 1.0 0.0 5.69 734 664 A 16 LEU HD2% A 16 LEU HA 1.0 0.0 4.18 735 665 A 16 LEU HA A 16 LEU HD1% 1.0 0.0 5.15 736 666 A 15 ILE HA A 16 LEU HA 1.0 0.0 6.00 737 667 A 17 TRP H A 16 LEU HG 1.0 0.0 6.04 738 668 A 16 LEU HD2% A 17 TRP H 1.0 0.0 6.11 739 669 A 16 LEU H A 16 LEU HD1% 1.0 0.0 6.14 740 670 A 7 ILE H A 7 ILE HG2% 1.0 0.0 5.43 741 671 A 8 LYS H A 7 ILE HG2% 1.0 0.0 4.87 742 672 A 7 ILE HG2% A 7 ILE HG1y 1.0 0.0 3.76 743 673 A 13 ILE H A 11 GLY HA2 1.0 0.0 6.20 744 673 A 13 ILE H A 11 GLY HA3 1.0 0.0 6.20 745 674 A 13 ILE H A 12 GLU HBy 1.0 0.0 5.69 746 675 A 13 ILE H A 12 GLU HBx 1.0 0.0 5.69 747 676 A 12 GLU HA A 13 ILE HD1% 1.0 0.0 5.60 748 677 A 15 ILE HD1% A 14 ILE HB 1.0 0.0 6.10 749 678 A 15 ILE HG2% A 17 TRP HA 1.0 0.0 6.30 750 679 A 17 TRP HE1 A 15 ILE HG2% 1.0 0.0 5.32 751 680 A 15 ILE H A 15 ILE HD1% 1.0 0.0 5.82 752 681 A 15 ILE HD1% A 17 TRP HD1 1.0 0.0 6.20 753 682 A 15 ILE HG2% A 48 LYS HEx 1.0 0.0 5.31 754 683 A 15 ILE HG2% A 48 LYS HEy 1.0 0.0 5.31 755 684 A 64 PHE HD% A 26 LEU HD1% 1.0 0.0 5.94 756 685 A 26 LEU H A 26 LEU HD1% 1.0 0.0 5.82 757 686 A 26 LEU HD1% A 26 LEU HA 1.0 0.0 6.27 758 687 A 23 ARG HA A 26 LEU HD1% 1.0 0.0 4.97 759 688 A 26 LEU HD1% A 26 LEU HBy 1.0 0.0 4.12 760 689 A 60 LEU HB2 A 26 LEU HD1% 1.0 0.0 4.79 761 690 A 17 TRP HE3 A 48 LYS HG2 1.0 0.0 4.82 762 690 A 48 LYS HG3 A 17 TRP HE3 1.0 0.0 4.82 763 691 A 46 LEU HD1% A 17 TRP HE3 1.0 0.0 4.59 764 692 A 53 VAL HG2% A 17 TRP HZ2 1.0 0.0 4.71 765 693 A 17 TRP H A 17 TRP HD1 1.0 0.0 4.14 766 694 A 17 TRP HZ3 A 17 TRP HA 1.0 0.0 4.78 767 695 A 17 TRP HZ3 A 21 ASP HB3 1.0 0.0 4.46 768 696 A 53 VAL HA A 17 TRP HH2 1.0 0.0 4.64 769 697 A 39 PHE HD% A 42 LEU HB2 1.0 0.0 4.99 770 698 A 38 THR HG2% A 39 PHE HD% 1.0 0.0 4.73 771 699 A 41 TYR HE% A 28 GLU HGy 1.0 0.0 4.90 772 700 A 42 LEU HD2% A 41 TYR HE% 1.0 0.0 4.26 773 701 A 42 LEU H A 41 TYR HD% 1.0 0.0 4.57 774 702 A 41 TYR H A 41 TYR HD% 1.0 0.0 4.71 775 703 A 41 TYR HA A 41 TYR HD% 1.0 0.0 4.07 776 704 A 64 PHE HD% A 64 PHE HA 1.0 0.0 4.90 777 705 A 48 LYS HB2 A 17 TRP HH2 1.0 0.0 5.72 778 706 A 46 LEU HB2 A 17 TRP HH2 1.0 0.0 5.43 779 707 A 17 TRP HH2 A 52 GLN HBy 1.0 0.0 5.51 780 708 A 53 VAL H A 17 TRP HH2 1.0 0.0 5.42 781 709 A 17 TRP HH2 A 48 LYS HB3 1.0 0.0 5.43 782 710 A 25 ILE HD1% A 17 TRP HE3 1.0 0.0 4.80 783 711 A 15 ILE HG2% A 17 TRP HD1 1.0 0.0 5.12 784 712 A 52 GLN H A 17 TRP HZ2 1.0 0.0 5.15 785 713 A 15 ILE HD1% A 17 TRP HZ2 1.0 0.0 5.27 786 714 A 18 THR H A 17 TRP HZ3 1.0 0.0 5.35 787 715 A 38 THR H A 39 PHE HD% 1.0 0.0 5.07 788 716 A 39 PHE HD% A 38 THR HB 1.0 0.0 5.24 789 717 A 39 PHE HE% A 54 SER HA 1.0 0.0 5.51 790 718 A 57 PHE HB3 A 39 PHE HE% 1.0 0.0 5.69 791 719 A 54 SER H A 39 PHE HE% 1.0 0.0 5.46 792 720 A 57 PHE HD1 A 58 GLN H 1.0 0.0 5.31 793 721 A 57 PHE HD1 A 39 PHE HE% 1.0 0.0 5.10 794 722 A 57 PHE HD1 A 26 LEU HA 1.0 0.0 5.18 795 723 A 57 PHE HE1 A 26 LEU HA 1.0 0.0 5.34 796 724 A 26 LEU HD2% A 57 PHE HE1 1.0 0.0 5.19 797 725 A 64 PHE HD% A 63 LEU HB2 1.0 0.0 5.50 798 726 A 64 PHE H A 64 PHE HD% 1.0 0.0 5.33 799 727 A 46 LEU HD1% A 17 TRP HZ2 1.0 0.0 5.71 800 728 A 7 ILE H A 7 ILE HG1x 1.0 0.0 4.13 801 728 A 7 ILE H A 7 ILE HG1y 1.0 0.0 4.13 802 729 A 7 ILE HG2% A 7 ILE HG1x 1.0 0.0 3.23 803 729 A 7 ILE HG2% A 7 ILE HG1y 1.0 0.0 3.23 804 730 A 8 LYS HA A 9 LYS HBx 1.0 0.0 4.75 805 730 A 8 LYS HA A 9 LYS HBy 1.0 0.0 4.75 806 731 A 10 LYS H A 9 LYS HBx 1.0 0.0 4.48 807 731 A 10 LYS H A 9 LYS HBy 1.0 0.0 4.48 808 732 A 12 GLU H A 12 GLU HGx 1.0 0.0 5.38 809 732 A 12 GLU H A 12 GLU HGy 1.0 0.0 5.38 810 733 A 13 ILE HA A 12 GLU HBy 1.0 0.0 5.28 811 733 A 13 ILE HA A 12 GLU HBx 1.0 0.0 5.28 812 734 A 13 ILE HD1% A 12 GLU HBy 1.0 0.0 5.95 813 734 A 13 ILE HD1% A 12 GLU HBx 1.0 0.0 5.95 814 735 A 13 ILE H A 12 GLU HGx 1.0 0.0 5.67 815 735 A 13 ILE H A 12 GLU HGy 1.0 0.0 5.67 816 736 A 13 ILE H A 13 ILE HG1x 1.0 0.0 4.40 817 736 A 13 ILE H A 13 ILE HG1y 1.0 0.0 4.40 818 737 A 13 ILE HG2% A 15 ILE HG1y 1.0 0.0 5.87 819 737 A 13 ILE HG2% A 15 ILE HG1x 1.0 0.0 5.87 820 738 A 14 ILE H A 15 ILE HG1y 1.0 0.0 5.81 821 738 A 14 ILE H A 15 ILE HG1x 1.0 0.0 5.81 822 739 A 14 ILE HG1x A 15 ILE HG1y 1.0 0.0 4.99 823 739 A 14 ILE HG1y A 15 ILE HG1y 1.0 0.0 4.99 824 739 A 15 ILE HG1x A 14 ILE HG1x 1.0 0.0 4.99 825 739 A 15 ILE HG1x A 14 ILE HG1y 1.0 0.0 4.99 826 740 A 14 ILE HD1% A 15 ILE HG1y 1.0 0.0 5.50 827 740 A 15 ILE HG1x A 14 ILE HD1% 1.0 0.0 5.50 828 741 A 15 ILE H A 15 ILE HG1y 1.0 0.0 4.29 829 741 A 15 ILE H A 15 ILE HG1x 1.0 0.0 4.29 830 742 A 15 ILE HG2% A 48 LYS HEx 1.0 0.0 4.56 831 742 A 15 ILE HG2% A 48 LYS HEy 1.0 0.0 4.56 832 743 A 15 ILE HD1% A 48 LYS HEx 1.0 0.0 5.74 833 743 A 15 ILE HD1% A 48 LYS HEy 1.0 0.0 5.74 834 744 A 15 ILE HD1% A 52 GLN HE2y 1.0 0.0 5.96 835 744 A 15 ILE HD1% A 52 GLN HE2x 1.0 0.0 5.96 836 745 A 16 LEU H A 16 LEU HBy 1.0 0.0 3.85 837 745 A 16 LEU H A 16 LEU HBx 1.0 0.0 3.85 838 746 A 17 TRP H A 16 LEU HBy 1.0 0.0 4.38 839 746 A 17 TRP H A 16 LEU HBx 1.0 0.0 4.38 840 747 A 17 TRP HA A 16 LEU HBy 1.0 0.0 6.01 841 747 A 17 TRP HA A 16 LEU HBx 1.0 0.0 6.01 842 748 A 17 TRP HA A 48 LYS HEx 1.0 0.0 6.04 843 748 A 17 TRP HA A 48 LYS HEy 1.0 0.0 6.04 844 749 A 17 TRP HD1 A 56 ARG HDy 1.0 0.0 4.59 845 749 A 17 TRP HD1 A 56 ARG HDx 1.0 0.0 4.59 846 750 A 17 TRP HE1 A 56 ARG HDy 1.0 0.0 4.98 847 750 A 17 TRP HE1 A 56 ARG HDx 1.0 0.0 4.98 848 751 A 17 TRP HZ2 A 52 GLN HBy 1.0 0.0 3.73 849 751 A 17 TRP HZ2 A 52 GLN HBx 1.0 0.0 3.73 850 752 A 17 TRP HH2 A 52 GLN HBy 1.0 0.0 4.79 851 752 A 17 TRP HH2 A 52 GLN HBx 1.0 0.0 4.79 852 753 A 18 THR HB A 20 ASN HBy 1.0 0.0 5.87 853 753 A 18 THR HB A 20 ASN HBx 1.0 0.0 5.87 854 754 A 18 THR HG2% A 20 ASN HBy 1.0 0.0 6.07 855 754 A 18 THR HG2% A 20 ASN HBx 1.0 0.0 6.07 856 755 A 19 ARG H A 19 ARG HBx 1.0 0.0 3.76 857 755 A 19 ARG H A 19 ARG HBy 1.0 0.0 3.76 858 756 A 19 ARG HA A 22 ASP HBx 1.0 0.0 4.33 859 756 A 19 ARG HA A 22 ASP HBy 1.0 0.0 4.33 860 757 A 20 ASN HA A 19 ARG HBx 1.0 0.0 4.85 861 757 A 20 ASN HA A 19 ARG HBy 1.0 0.0 4.85 862 758 A 19 ARG HBy A 20 ASN HD2y 1.0 0.0 5.46 863 758 A 19 ARG HBx A 20 ASN HD2y 1.0 0.0 5.46 864 758 A 20 ASN HD2x A 19 ARG HBx 1.0 0.0 5.46 865 758 A 19 ARG HBy A 20 ASN HD2x 1.0 0.0 5.46 866 759 A 19 ARG HG2 A 20 ASN HBy 1.0 0.0 6.05 867 759 A 19 ARG HG3 A 20 ASN HBy 1.0 0.0 6.05 868 759 A 20 ASN HBx A 19 ARG HG2 1.0 0.0 6.05 869 759 A 19 ARG HG3 A 20 ASN HBx 1.0 0.0 6.05 870 760 A 20 ASN H A 20 ASN HBy 1.0 0.0 3.82 871 760 A 20 ASN H A 20 ASN HBx 1.0 0.0 3.82 872 761 A 20 ASN H A 20 ASN HD2y 1.0 0.0 4.56 873 761 A 20 ASN H A 20 ASN HD2x 1.0 0.0 4.56 874 762 A 20 ASN HA A 23 ARG HBx 1.0 0.0 4.27 875 762 A 20 ASN HA A 23 ARG HBy 1.0 0.0 4.27 876 763 A 21 ASP H A 20 ASN HBy 1.0 0.0 4.25 877 763 A 21 ASP H A 20 ASN HBx 1.0 0.0 4.25 878 764 A 20 ASN HBx A 23 ARG HBx 1.0 0.0 5.65 879 764 A 20 ASN HBy A 23 ARG HBx 1.0 0.0 5.65 880 764 A 23 ARG HBy A 20 ASN HBy 1.0 0.0 5.65 881 764 A 20 ASN HBx A 23 ARG HBy 1.0 0.0 5.65 882 765 A 21 ASP H A 23 ARG HBx 1.0 0.0 5.28 883 765 A 21 ASP H A 23 ARG HBy 1.0 0.0 5.28 884 766 A 21 ASP HB3 A 22 ASP HBx 1.0 0.0 6.00 885 766 A 21 ASP HB3 A 22 ASP HBy 1.0 0.0 6.00 886 767 A 22 ASP H A 22 ASP HBx 1.0 0.0 3.70 887 767 A 22 ASP H A 22 ASP HBy 1.0 0.0 3.70 888 768 A 22 ASP H A 23 ARG HBx 1.0 0.0 5.39 889 768 A 22 ASP H A 23 ARG HBy 1.0 0.0 5.39 890 769 A 22 ASP HA A 25 ILE HG1y 1.0 0.0 5.94 891 769 A 22 ASP HA A 25 ILE HG1x 1.0 0.0 5.94 892 770 A 23 ARG H A 22 ASP HBx 1.0 0.0 4.17 893 770 A 23 ARG H A 22 ASP HBy 1.0 0.0 4.17 894 771 A 60 LEU HD1% A 22 ASP HBx 1.0 0.0 4.63 895 771 A 60 LEU HD1% A 22 ASP HBy 1.0 0.0 4.63 896 772 A 60 LEU HD2% A 22 ASP HBx 1.0 0.0 4.46 897 772 A 60 LEU HD2% A 22 ASP HBy 1.0 0.0 4.46 898 773 A 23 ARG H A 23 ARG HBx 1.0 0.0 3.46 899 773 A 23 ARG H A 23 ARG HBy 1.0 0.0 3.46 900 774 A 23 ARG H A 23 ARG HGx 1.0 0.0 5.08 901 774 A 23 ARG H A 23 ARG HGy 1.0 0.0 5.08 902 775 A 23 ARG HA A 26 LEU HBx 1.0 0.0 4.91 903 775 A 23 ARG HA A 26 LEU HBy 1.0 0.0 4.91 904 776 A 24 VAL H A 23 ARG HBx 1.0 0.0 4.22 905 776 A 24 VAL H A 23 ARG HBy 1.0 0.0 4.22 906 777 A 24 VAL HG2% A 23 ARG HBx 1.0 0.0 4.97 907 777 A 24 VAL HG2% A 23 ARG HBy 1.0 0.0 4.97 908 778 A 24 VAL H A 23 ARG HGx 1.0 0.0 5.83 909 778 A 24 VAL H A 23 ARG HGy 1.0 0.0 5.83 910 779 A 24 VAL HG2% A 23 ARG HGx 1.0 0.0 3.82 911 779 A 24 VAL HG2% A 23 ARG HGy 1.0 0.0 3.82 912 780 A 26 LEU H A 23 ARG HGx 1.0 0.0 6.10 913 780 A 26 LEU H A 23 ARG HGy 1.0 0.0 6.10 914 781 A 24 VAL H A 27 LEU HBy 1.0 0.0 5.41 915 781 A 24 VAL H A 27 LEU HBx 1.0 0.0 5.41 916 782 A 24 VAL HA A 27 LEU HBy 1.0 0.0 4.11 917 782 A 24 VAL HA A 27 LEU HBx 1.0 0.0 4.11 918 783 A 24 VAL HG1% A 25 ILE HG1y 1.0 0.0 5.61 919 783 A 24 VAL HG1% A 25 ILE HG1x 1.0 0.0 5.61 920 784 A 24 VAL HG1% A 28 GLU HBy 1.0 0.0 5.00 921 784 A 24 VAL HG1% A 28 GLU HBx 1.0 0.0 5.00 922 785 A 24 VAL HG1% A 45 LYS HGy 1.0 0.0 4.76 923 785 A 24 VAL HG1% A 45 LYS HGx 1.0 0.0 4.76 924 786 A 25 ILE H A 25 ILE HG1y 1.0 0.0 3.73 925 786 A 25 ILE H A 25 ILE HG1x 1.0 0.0 3.73 926 787 A 25 ILE HA A 28 GLU HGx 1.0 0.0 5.88 927 787 A 25 ILE HA A 28 GLU HGy 1.0 0.0 5.88 928 788 A 26 LEU H A 25 ILE HG1y 1.0 0.0 5.40 929 788 A 26 LEU H A 25 ILE HG1x 1.0 0.0 5.40 930 789 A 42 LEU HA A 25 ILE HG1y 1.0 0.0 5.12 931 789 A 42 LEU HA A 25 ILE HG1x 1.0 0.0 5.12 932 790 A 42 LEU HB3 A 25 ILE HG1y 1.0 0.0 5.70 933 790 A 42 LEU HB3 A 25 ILE HG1x 1.0 0.0 5.70 934 791 A 42 LEU HD2% A 25 ILE HG1y 1.0 0.0 3.97 935 791 A 42 LEU HD2% A 25 ILE HG1x 1.0 0.0 3.97 936 792 A 46 LEU HD1% A 25 ILE HG1y 1.0 0.0 4.08 937 792 A 46 LEU HD1% A 25 ILE HG1x 1.0 0.0 4.08 938 793 A 46 LEU HD2% A 25 ILE HG1y 1.0 0.0 4.97 939 793 A 46 LEU HD2% A 25 ILE HG1x 1.0 0.0 4.97 940 794 A 53 VAL HG1% A 25 ILE HG1y 1.0 0.0 4.40 941 794 A 53 VAL HG1% A 25 ILE HG1x 1.0 0.0 4.40 942 795 A 53 VAL HG2% A 25 ILE HG1y 1.0 0.0 5.43 943 795 A 53 VAL HG2% A 25 ILE HG1x 1.0 0.0 5.43 944 796 A 25 ILE HD1% A 56 ARG HGy 1.0 0.0 4.62 945 796 A 25 ILE HD1% A 56 ARG HGx 1.0 0.0 4.62 946 797 A 26 LEU H A 27 LEU HBy 1.0 0.0 5.29 947 797 A 26 LEU H A 27 LEU HBx 1.0 0.0 5.29 948 798 A 26 LEU HA A 29 CYS HBy 1.0 0.0 4.83 949 798 A 26 LEU HA A 29 CYS HBx 1.0 0.0 4.83 950 799 A 26 LEU HBy A 29 CYS HBy 1.0 0.0 5.43 951 799 A 26 LEU HBx A 29 CYS HBy 1.0 0.0 5.43 952 799 A 29 CYS HBx A 26 LEU HBx 1.0 0.0 5.43 953 799 A 26 LEU HBy A 29 CYS HBx 1.0 0.0 5.43 954 800 A 60 LEU HD1% A 26 LEU HBx 1.0 0.0 4.75 955 800 A 60 LEU HD1% A 26 LEU HBy 1.0 0.0 4.75 956 801 A 60 LEU HD2% A 26 LEU HBx 1.0 0.0 4.34 957 801 A 60 LEU HD2% A 26 LEU HBy 1.0 0.0 4.34 958 802 A 26 LEU HD2% A 61 MET HGx 1.0 0.0 5.81 959 802 A 26 LEU HD2% A 61 MET HGy 1.0 0.0 5.81 960 803 A 27 LEU H A 27 LEU HBy 1.0 0.0 3.32 961 803 A 27 LEU H A 27 LEU HBx 1.0 0.0 3.32 962 804 A 28 GLU H A 27 LEU HBy 1.0 0.0 3.95 963 804 A 28 GLU H A 27 LEU HBx 1.0 0.0 3.95 964 805 A 28 GLU HA A 27 LEU HBy 1.0 0.0 6.01 965 805 A 28 GLU HA A 27 LEU HBx 1.0 0.0 6.01 966 806 A 27 LEU HBy A 28 GLU HGx 1.0 0.0 5.83 967 806 A 27 LEU HBx A 28 GLU HGx 1.0 0.0 5.83 968 806 A 28 GLU HGy A 27 LEU HBy 1.0 0.0 5.83 969 806 A 27 LEU HBx A 28 GLU HGy 1.0 0.0 5.83 970 807 A 29 CYS H A 27 LEU HBy 1.0 0.0 5.89 971 807 A 29 CYS H A 27 LEU HBx 1.0 0.0 5.89 972 808 A 27 LEU HG A 28 GLU HBy 1.0 0.0 5.69 973 808 A 27 LEU HG A 28 GLU HBx 1.0 0.0 5.69 974 809 A 28 GLU H A 28 GLU HBy 1.0 0.0 3.76 975 809 A 28 GLU H A 28 GLU HBx 1.0 0.0 3.76 976 810 A 28 GLU H A 28 GLU HGx 1.0 0.0 3.93 977 810 A 28 GLU H A 28 GLU HGy 1.0 0.0 3.93 978 811 A 28 GLU HA A 31 LYS HBy 1.0 0.0 4.17 979 811 A 28 GLU HA A 31 LYS HBx 1.0 0.0 4.17 980 812 A 28 GLU HBy A 32 ARG HDy 1.0 0.0 5.21 981 812 A 28 GLU HBx A 32 ARG HDy 1.0 0.0 5.21 982 812 A 32 ARG HDx A 28 GLU HBy 1.0 0.0 5.21 983 812 A 28 GLU HBx A 32 ARG HDx 1.0 0.0 5.21 984 813 A 38 THR HG2% A 28 GLU HBy 1.0 0.0 4.11 985 813 A 38 THR HG2% A 28 GLU HBx 1.0 0.0 4.11 986 814 A 41 TYR HD% A 28 GLU HBy 1.0 0.0 5.61 987 814 A 41 TYR HD% A 28 GLU HBx 1.0 0.0 5.61 988 815 A 41 TYR HE% A 28 GLU HBy 1.0 0.0 4.61 989 815 A 41 TYR HE% A 28 GLU HBx 1.0 0.0 4.61 990 816 A 29 CYS H A 28 GLU HGx 1.0 0.0 4.19 991 816 A 29 CYS H A 28 GLU HGy 1.0 0.0 4.19 992 817 A 41 TYR HE% A 28 GLU HGx 1.0 0.0 4.12 993 817 A 41 TYR HE% A 28 GLU HGy 1.0 0.0 4.12 994 818 A 42 LEU HD2% A 28 GLU HGx 1.0 0.0 3.85 995 818 A 42 LEU HD2% A 28 GLU HGy 1.0 0.0 3.85 996 819 A 29 CYS H A 29 CYS HBy 1.0 0.0 3.80 997 819 A 29 CYS H A 29 CYS HBx 1.0 0.0 3.80 998 820 A 29 CYS HA A 30 GLN HGx 1.0 0.0 5.19 999 820 A 29 CYS HA A 30 GLN HGy 1.0 0.0 5.19 1000 821 A 29 CYS HA A 32 ARG HBx 1.0 0.0 5.61 1001 821 A 29 CYS HA A 32 ARG HBy 1.0 0.0 5.61 1002 822 A 30 GLN H A 29 CYS HBy 1.0 0.0 4.56 1003 822 A 30 GLN H A 29 CYS HBx 1.0 0.0 4.56 1004 823 A 57 PHE HD1 A 29 CYS HBy 1.0 0.0 6.01 1005 823 A 57 PHE HD1 A 29 CYS HBx 1.0 0.0 6.01 1006 824 A 57 PHE HE1 A 29 CYS HBy 1.0 0.0 4.53 1007 824 A 57 PHE HE1 A 29 CYS HBx 1.0 0.0 4.53 1008 825 A 30 GLN H A 30 GLN HBy 1.0 0.0 3.50 1009 825 A 30 GLN H A 30 GLN HBx 1.0 0.0 3.50 1010 826 A 30 GLN H A 30 GLN HGx 1.0 0.0 4.60 1011 826 A 30 GLN H A 30 GLN HGy 1.0 0.0 4.60 1012 827 A 31 LYS H A 30 GLN HBy 1.0 0.0 3.99 1013 827 A 31 LYS H A 30 GLN HBx 1.0 0.0 3.99 1014 828 A 31 LYS H A 30 GLN HGx 1.0 0.0 5.27 1015 828 A 31 LYS H A 30 GLN HGy 1.0 0.0 5.27 1016 829 A 31 LYS H A 31 LYS HBy 1.0 0.0 3.68 1017 829 A 31 LYS H A 31 LYS HBx 1.0 0.0 3.68 1018 830 A 31 LYS H A 32 ARG HBx 1.0 0.0 5.96 1019 830 A 31 LYS H A 32 ARG HBy 1.0 0.0 5.96 1020 831 A 33 GLY H A 31 LYS HBy 1.0 0.0 5.86 1021 831 A 33 GLY H A 31 LYS HBx 1.0 0.0 5.86 1022 832 A 32 ARG H A 32 ARG HBx 1.0 0.0 3.82 1023 832 A 32 ARG H A 32 ARG HBy 1.0 0.0 3.82 1024 833 A 32 ARG HA A 32 ARG HDy 1.0 0.0 5.75 1025 833 A 32 ARG HA A 32 ARG HDx 1.0 0.0 5.75 1026 834 A 38 THR HA A 32 ARG HBx 1.0 0.0 5.99 1027 834 A 38 THR HA A 32 ARG HBy 1.0 0.0 5.99 1028 835 A 38 THR HG2% A 32 ARG HBx 1.0 0.0 4.71 1029 835 A 38 THR HG2% A 32 ARG HBy 1.0 0.0 4.71 1030 836 A 33 GLY H A 32 ARG HDy 1.0 0.0 5.94 1031 836 A 33 GLY H A 32 ARG HDx 1.0 0.0 5.94 1032 837 A 38 THR HA A 32 ARG HDy 1.0 0.0 5.57 1033 837 A 38 THR HA A 32 ARG HDx 1.0 0.0 5.57 1034 838 A 38 THR HG2% A 32 ARG HDy 1.0 0.0 4.51 1035 838 A 38 THR HG2% A 32 ARG HDx 1.0 0.0 4.51 1036 839 A 33 GLY H A 34 PRO HDy 1.0 0.0 5.60 1037 839 A 33 GLY H A 34 PRO HDx 1.0 0.0 5.60 1038 840 A 33 GLY HAy A 34 PRO HBy 1.0 0.0 5.29 1039 840 A 33 GLY HAx A 34 PRO HBy 1.0 0.0 5.29 1040 840 A 34 PRO HBx A 33 GLY HAy 1.0 0.0 5.29 1041 840 A 33 GLY HAx A 34 PRO HBx 1.0 0.0 5.29 1042 841 A 33 GLY HAx A 34 PRO HGx 1.0 0.0 4.96 1043 841 A 33 GLY HAy A 34 PRO HGx 1.0 0.0 4.96 1044 841 A 34 PRO HGy A 33 GLY HAy 1.0 0.0 4.96 1045 841 A 33 GLY HAx A 34 PRO HGy 1.0 0.0 4.96 1046 842 A 35 SER H A 33 GLY HAy 1.0 0.0 5.90 1047 842 A 35 SER H A 33 GLY HAx 1.0 0.0 5.90 1048 843 A 35 SER HBx A 37 LYS HB2 1.0 0.0 4.60 1049 843 A 35 SER HBy A 37 LYS HB2 1.0 0.0 4.60 1050 843 A 37 LYS HB3 A 35 SER HBx 1.0 0.0 4.60 1051 843 A 37 LYS HB3 A 35 SER HBy 1.0 0.0 4.60 1052 844 A 38 THR H A 35 SER HBx 1.0 0.0 3.87 1053 844 A 38 THR H A 35 SER HBy 1.0 0.0 3.87 1054 845 A 39 PHE H A 36 SER HBy 1.0 0.0 5.02 1055 845 A 39 PHE H A 36 SER HBx 1.0 0.0 5.02 1056 846 A 39 PHE HD% A 36 SER HBy 1.0 0.0 4.38 1057 846 A 39 PHE HD% A 36 SER HBx 1.0 0.0 4.38 1058 847 A 39 PHE HE% A 36 SER HBy 1.0 0.0 5.72 1059 847 A 39 PHE HE% A 36 SER HBx 1.0 0.0 5.72 1060 848 A 40 ALA H A 36 SER HBy 1.0 0.0 5.84 1061 848 A 40 ALA H A 36 SER HBx 1.0 0.0 5.84 1062 849 A 38 THR HA A 41 TYR HBy 1.0 0.0 4.36 1063 849 A 38 THR HA A 41 TYR HBx 1.0 0.0 4.36 1064 850 A 38 THR HG2% A 41 TYR HBy 1.0 0.0 5.49 1065 850 A 38 THR HG2% A 41 TYR HBx 1.0 0.0 5.49 1066 851 A 39 PHE HB2 A 50 PRO HBy 1.0 0.0 5.60 1067 851 A 39 PHE HB2 A 50 PRO HBx 1.0 0.0 5.60 1068 852 A 39 PHE HB3 A 50 PRO HBy 1.0 0.0 6.07 1069 852 A 39 PHE HB3 A 50 PRO HBx 1.0 0.0 6.07 1070 853 A 39 PHE HD% A 54 SER HBx 1.0 0.0 5.05 1071 853 A 39 PHE HD% A 54 SER HBy 1.0 0.0 5.05 1072 854 A 39 PHE HE% A 58 GLN HGy 1.0 0.0 6.10 1073 854 A 39 PHE HE% A 58 GLN HGx 1.0 0.0 6.10 1074 855 A 40 ALA H A 41 TYR HBy 1.0 0.0 5.70 1075 855 A 40 ALA H A 41 TYR HBx 1.0 0.0 5.70 1076 856 A 40 ALA HA A 50 PRO HBy 1.0 0.0 4.66 1077 856 A 40 ALA HA A 50 PRO HBx 1.0 0.0 4.66 1078 857 A 40 ALA HA A 50 PRO HGx 1.0 0.0 4.44 1079 857 A 40 ALA HA A 50 PRO HGy 1.0 0.0 4.44 1080 858 A 40 ALA HB% A 41 TYR HBy 1.0 0.0 6.08 1081 858 A 40 ALA HB% A 41 TYR HBx 1.0 0.0 6.08 1082 859 A 40 ALA HB% A 50 PRO HBy 1.0 0.0 4.63 1083 859 A 40 ALA HB% A 50 PRO HBx 1.0 0.0 4.63 1084 860 A 40 ALA HB% A 50 PRO HGx 1.0 0.0 4.69 1085 860 A 40 ALA HB% A 50 PRO HGy 1.0 0.0 4.69 1086 861 A 41 TYR H A 41 TYR HBy 1.0 0.0 3.52 1087 861 A 41 TYR H A 41 TYR HBx 1.0 0.0 3.52 1088 862 A 42 LEU H A 41 TYR HBy 1.0 0.0 4.15 1089 862 A 42 LEU H A 41 TYR HBx 1.0 0.0 4.15 1090 863 A 44 ALA HB% A 41 TYR HBy 1.0 0.0 5.96 1091 863 A 44 ALA HB% A 41 TYR HBx 1.0 0.0 5.96 1092 864 A 42 LEU HG A 45 LYS HGy 1.0 0.0 5.45 1093 864 A 42 LEU HG A 45 LYS HGx 1.0 0.0 5.45 1094 865 A 42 LEU HD2% A 45 LYS HGy 1.0 0.0 4.42 1095 865 A 42 LEU HD2% A 45 LYS HGx 1.0 0.0 4.42 1096 866 A 43 ALA HB% A 50 PRO HBy 1.0 0.0 4.55 1097 866 A 43 ALA HB% A 50 PRO HBx 1.0 0.0 4.55 1098 867 A 43 ALA HB% A 50 PRO HGx 1.0 0.0 4.05 1099 867 A 43 ALA HB% A 50 PRO HGy 1.0 0.0 4.05 1100 868 A 45 LYS H A 45 LYS HGy 1.0 0.0 5.27 1101 868 A 45 LYS H A 45 LYS HGx 1.0 0.0 5.27 1102 869 A 46 LEU H A 45 LYS HGy 1.0 0.0 5.30 1103 869 A 46 LEU H A 45 LYS HGx 1.0 0.0 5.30 1104 870 A 46 LEU HA A 45 LYS HGy 1.0 0.0 5.60 1105 870 A 46 LEU HA A 45 LYS HGx 1.0 0.0 5.60 1106 871 A 46 LEU HG A 45 LYS HGy 1.0 0.0 5.96 1107 871 A 46 LEU HG A 45 LYS HGx 1.0 0.0 5.96 1108 872 A 46 LEU HD2% A 45 LYS HGy 1.0 0.0 4.30 1109 872 A 46 LEU HD2% A 45 LYS HGx 1.0 0.0 4.30 1110 873 A 47 ASP H A 45 LYS HGy 1.0 0.0 5.65 1111 873 A 47 ASP H A 45 LYS HGx 1.0 0.0 5.65 1112 874 A 46 LEU HB3 A 47 ASP HBy 1.0 0.0 5.95 1113 874 A 46 LEU HB3 A 47 ASP HBx 1.0 0.0 5.95 1114 875 A 48 LYS HA A 48 LYS HEx 1.0 0.0 5.86 1115 875 A 48 LYS HEy A 48 LYS HA 1.0 0.0 5.86 1116 876 A 48 LYS HA A 49 ASN HD2y 1.0 0.0 4.57 1117 876 A 48 LYS HA A 49 ASN HD2x 1.0 0.0 4.57 1118 877 A 48 LYS HB2 A 52 GLN HBy 1.0 0.0 6.08 1119 877 A 48 LYS HB2 A 52 GLN HBx 1.0 0.0 6.08 1120 878 A 48 LYS HB3 A 48 LYS HEx 1.0 0.0 5.13 1121 878 A 48 LYS HB3 A 48 LYS HEy 1.0 0.0 5.13 1122 879 A 48 LYS HB3 A 52 GLN HBy 1.0 0.0 5.26 1123 879 A 48 LYS HB3 A 52 GLN HBx 1.0 0.0 5.26 1124 880 A 48 LYS HD3 A 52 GLN HBy 1.0 0.0 5.46 1125 880 A 48 LYS HD2 A 52 GLN HBy 1.0 0.0 5.46 1126 880 A 52 GLN HBx A 48 LYS HD2 1.0 0.0 5.46 1127 880 A 48 LYS HD3 A 52 GLN HBx 1.0 0.0 5.46 1128 881 A 49 ASN H A 52 GLN HBy 1.0 0.0 4.47 1129 881 A 49 ASN H A 52 GLN HBx 1.0 0.0 4.47 1130 882 A 49 ASN H A 52 GLN HE2y 1.0 0.0 5.63 1131 882 A 49 ASN H A 52 GLN HE2x 1.0 0.0 5.63 1132 883 A 49 ASN HA A 50 PRO HGx 1.0 0.0 5.43 1133 883 A 49 ASN HA A 50 PRO HGy 1.0 0.0 5.43 1134 884 A 49 ASN HBy A 50 PRO HGx 1.0 0.0 5.90 1135 884 A 49 ASN HBx A 50 PRO HGx 1.0 0.0 5.90 1136 884 A 50 PRO HGy A 49 ASN HBx 1.0 0.0 5.90 1137 884 A 50 PRO HGy A 49 ASN HBy 1.0 0.0 5.90 1138 885 A 49 ASN HBy A 50 PRO HD2 1.0 0.0 3.99 1139 885 A 49 ASN HBx A 50 PRO HD2 1.0 0.0 3.99 1140 885 A 50 PRO HD3 A 49 ASN HBx 1.0 0.0 3.99 1141 885 A 50 PRO HD3 A 49 ASN HBy 1.0 0.0 3.99 1142 886 A 52 GLN H A 49 ASN HBx 1.0 0.0 5.18 1143 886 A 52 GLN H A 49 ASN HBy 1.0 0.0 5.18 1144 887 A 49 ASN HD2x A 50 PRO HD2 1.0 0.0 5.67 1145 887 A 50 PRO HD3 A 49 ASN HD2y 1.0 0.0 5.67 1146 887 A 50 PRO HD3 A 49 ASN HD2x 1.0 0.0 5.67 1147 887 A 49 ASN HD2y A 50 PRO HD2 1.0 0.0 5.67 1148 888 A 49 ASN HD2x A 52 GLN HG2 1.0 0.0 5.11 1149 888 A 49 ASN HD2y A 52 GLN HG2 1.0 0.0 5.11 1150 888 A 52 GLN HG3 A 49 ASN HD2y 1.0 0.0 5.11 1151 888 A 52 GLN HG3 A 49 ASN HD2x 1.0 0.0 5.11 1152 889 A 50 PRO HBy A 51 ASN HB2 1.0 0.0 5.75 1153 889 A 50 PRO HBx A 51 ASN HB2 1.0 0.0 5.75 1154 889 A 51 ASN HB3 A 50 PRO HBy 1.0 0.0 5.75 1155 889 A 51 ASN HB3 A 50 PRO HBx 1.0 0.0 5.75 1156 890 A 53 VAL H A 50 PRO HBy 1.0 0.0 5.11 1157 890 A 53 VAL H A 50 PRO HBx 1.0 0.0 5.11 1158 891 A 51 ASN H A 50 PRO HGx 1.0 0.0 5.25 1159 891 A 51 ASN H A 50 PRO HGy 1.0 0.0 5.25 1160 892 A 51 ASN HA A 54 SER HBx 1.0 0.0 4.37 1161 892 A 51 ASN HA A 54 SER HBy 1.0 0.0 4.37 1162 893 A 51 ASN HB3 A 54 SER HBx 1.0 0.0 5.81 1163 893 A 51 ASN HB2 A 54 SER HBx 1.0 0.0 5.81 1164 893 A 54 SER HBy A 51 ASN HB2 1.0 0.0 5.81 1165 893 A 51 ASN HB3 A 54 SER HBy 1.0 0.0 5.81 1166 894 A 52 GLN H A 52 GLN HBy 1.0 0.0 3.72 1167 894 A 52 GLN H A 52 GLN HBx 1.0 0.0 3.72 1168 895 A 53 VAL H A 52 GLN HBy 1.0 0.0 4.27 1169 895 A 53 VAL H A 52 GLN HBx 1.0 0.0 4.27 1170 896 A 53 VAL HG2% A 52 GLN HBy 1.0 0.0 5.97 1171 896 A 53 VAL HG2% A 52 GLN HBx 1.0 0.0 5.97 1172 897 A 56 ARG HB2 A 52 GLN HBy 1.0 0.0 6.03 1173 897 A 56 ARG HB2 A 52 GLN HBx 1.0 0.0 6.03 1174 898 A 53 VAL HB A 54 SER HBx 1.0 0.0 5.91 1175 898 A 53 VAL HB A 54 SER HBy 1.0 0.0 5.91 1176 899 A 54 SER H A 54 SER HBx 1.0 0.0 3.63 1177 899 A 54 SER H A 54 SER HBy 1.0 0.0 3.63 1178 900 A 54 SER HA A 55 GLU HGy 1.0 0.0 5.81 1179 900 A 54 SER HA A 55 GLU HGx 1.0 0.0 5.81 1180 901 A 55 GLU H A 54 SER HBx 1.0 0.0 4.21 1181 901 A 55 GLU H A 54 SER HBy 1.0 0.0 4.21 1182 902 A 55 GLU H A 55 GLU HBx 1.0 0.0 3.58 1183 902 A 55 GLU H A 55 GLU HBy 1.0 0.0 3.58 1184 903 A 55 GLU HA A 58 GLN HBy 1.0 0.0 5.30 1185 903 A 55 GLU HA A 58 GLN HBx 1.0 0.0 5.30 1186 904 A 55 GLU HA A 58 GLN HGy 1.0 0.0 5.61 1187 904 A 55 GLU HA A 58 GLN HGx 1.0 0.0 5.61 1188 905 A 55 GLU HA A 59 GLN HGy 1.0 0.0 5.60 1189 905 A 55 GLU HA A 59 GLN HGx 1.0 0.0 5.60 1190 906 A 55 GLU HBx A 59 GLN HGy 1.0 0.0 5.68 1191 906 A 55 GLU HBy A 59 GLN HGy 1.0 0.0 5.68 1192 906 A 59 GLN HGx A 55 GLU HBx 1.0 0.0 5.68 1193 906 A 55 GLU HBy A 59 GLN HGx 1.0 0.0 5.68 1194 907 A 56 ARG H A 59 GLN HBy 1.0 0.0 5.15 1195 907 A 56 ARG H A 59 GLN HBx 1.0 0.0 5.15 1196 908 A 56 ARG HA A 56 ARG HDy 1.0 0.0 3.93 1197 908 A 56 ARG HA A 56 ARG HDx 1.0 0.0 3.93 1198 909 A 56 ARG HA A 59 GLN HBy 1.0 0.0 4.28 1199 909 A 56 ARG HA A 59 GLN HBx 1.0 0.0 4.28 1200 910 A 56 ARG HDy A 59 GLN HBy 1.0 0.0 5.32 1201 910 A 59 GLN HBx A 56 ARG HDy 1.0 0.0 5.32 1202 910 A 56 ARG HDx A 59 GLN HBx 1.0 0.0 5.32 1203 910 A 56 ARG HDx A 59 GLN HBy 1.0 0.0 5.32 1204 911 A 57 PHE H A 58 GLN HBy 1.0 0.0 5.96 1205 911 A 57 PHE H A 58 GLN HBx 1.0 0.0 5.96 1206 912 A 58 GLN H A 58 GLN HBy 1.0 0.0 3.71 1207 912 A 58 GLN H A 58 GLN HBx 1.0 0.0 3.71 1208 913 A 58 GLN H A 58 GLN HGy 1.0 0.0 4.19 1209 913 A 58 GLN H A 58 GLN HGx 1.0 0.0 4.19 1210 914 A 58 GLN H A 59 GLN HBy 1.0 0.0 5.39 1211 914 A 58 GLN H A 59 GLN HBx 1.0 0.0 5.39 1212 915 A 58 GLN H A 61 MET HGx 1.0 0.0 5.67 1213 915 A 58 GLN H A 61 MET HGy 1.0 0.0 5.67 1214 916 A 58 GLN HA A 61 MET HGx 1.0 0.0 5.66 1215 916 A 58 GLN HA A 61 MET HGy 1.0 0.0 5.66 1216 917 A 59 GLN H A 58 GLN HBy 1.0 0.0 4.64 1217 917 A 59 GLN H A 58 GLN HBx 1.0 0.0 4.64 1218 918 A 58 GLN HBy A 59 GLN HGy 1.0 0.0 5.89 1219 918 A 58 GLN HBx A 59 GLN HGy 1.0 0.0 5.89 1220 918 A 59 GLN HGx A 58 GLN HBy 1.0 0.0 5.89 1221 918 A 58 GLN HBx A 59 GLN HGx 1.0 0.0 5.89 1222 919 A 61 MET H A 58 GLN HBy 1.0 0.0 5.66 1223 919 A 61 MET H A 58 GLN HBx 1.0 0.0 5.66 1224 920 A 59 GLN H A 59 GLN HBy 1.0 0.0 3.71 1225 920 A 59 GLN H A 59 GLN HBx 1.0 0.0 3.71 1226 921 A 59 GLN H A 59 GLN HGy 1.0 0.0 4.36 1227 921 A 59 GLN H A 59 GLN HGx 1.0 0.0 4.36 1228 922 A 59 GLN HA A 59 GLN HE2y 1.0 0.0 5.92 1229 922 A 59 GLN HA A 59 GLN HE2x 1.0 0.0 5.92 1230 923 A 60 LEU H A 59 GLN HBy 1.0 0.0 4.26 1231 923 A 60 LEU H A 59 GLN HBx 1.0 0.0 4.26 1232 924 A 60 LEU HG A 59 GLN HBy 1.0 0.0 5.12 1233 924 A 60 LEU HG A 59 GLN HBx 1.0 0.0 5.12 1234 925 A 61 MET H A 59 GLN HBy 1.0 0.0 5.85 1235 925 A 61 MET H A 59 GLN HBx 1.0 0.0 5.85 1236 926 A 60 LEU HB2 A 61 MET HGx 1.0 0.0 5.60 1237 926 A 60 LEU HB2 A 61 MET HGy 1.0 0.0 5.60 1238 927 A 60 LEU HD1% A 61 MET HGx 1.0 0.0 5.12 1239 927 A 60 LEU HD1% A 61 MET HGy 1.0 0.0 5.12 1240 928 A 61 MET H A 61 MET HGx 1.0 0.0 4.26 1241 928 A 61 MET H A 61 MET HGy 1.0 0.0 4.26 1242 929 A 61 MET HA A 64 PHE HBx 1.0 0.0 4.88 1243 929 A 61 MET HA A 64 PHE HBy 1.0 0.0 4.88 1244 930 A 63 LEU HB2 A 64 PHE HBx 1.0 0.0 6.05 1245 930 A 63 LEU HB2 A 64 PHE HBy 1.0 0.0 6.05 1246 931 A 65 GLU H A 64 PHE HBx 1.0 0.0 4.63 1247 931 A 65 GLU H A 64 PHE HBy 1.0 0.0 4.63 1248 932 A 65 GLU H A 65 GLU HGy 1.0 0.0 4.91 1249 932 A 65 GLU H A 65 GLU HGx 1.0 0.0 4.91 1250 933 A 66 LYS H A 65 GLU HGy 1.0 0.0 5.92 1251 933 A 66 LYS H A 65 GLU HGx 1.0 0.0 5.92 1252 934 A 70 ARG H A 68 LYS HBy 1.0 0.0 5.13 1253 934 A 70 ARG H A 68 LYS HBx 1.0 0.0 5.13 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 18 THR C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -73.4 -53.4 PHI 2 2 A 19 ARG N A 19 ARG CA A 19 ARG C A 20 ASN N 1.0 -48.9 -21.3 PSI 3 3 A 19 ARG C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -76.3 -56.3 PHI 4 4 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 ASP N 1.0 -49.2 -29.2 PSI 5 5 A 20 ASN C A 21 ASP N A 21 ASP CA A 21 ASP C 1.0 -76.0 -50.8 PHI 6 6 A 21 ASP N A 21 ASP CA A 21 ASP C A 22 ASP N 1.0 -61.6 -27.0 PSI 7 7 A 21 ASP C A 22 ASP N A 22 ASP CA A 22 ASP C 1.0 -75.5 -49.1 PHI 8 8 A 22 ASP N A 22 ASP CA A 22 ASP C A 23 ARG N 1.0 -53.1 -32.9 PSI 9 9 A 22 ASP C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -73.7 -53.7 PHI 10 10 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 VAL N 1.0 -48.5 -28.5 PSI 11 11 A 23 ARG C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -75.5 -54.3 PHI 12 12 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 ILE N 1.0 -53.2 -32.6 PSI 13 13 A 24 VAL C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -75.7 -48.3 PHI 14 14 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 LEU N 1.0 -57.5 -27.3 PSI 15 15 A 25 ILE C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -71.3 -51.3 PHI 16 16 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 LEU N 1.0 -49.8 -29.8 PSI 17 17 A 26 LEU C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -75.5 -50.7 PHI 18 18 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 GLU N 1.0 -59.8 -29.6 PSI 19 19 A 27 LEU C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -76.0 -54.0 PHI 20 20 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 CYS N 1.0 -58.7 -19.7 PSI 21 21 A 28 GLU C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -74.6 -52.4 PHI 22 22 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 GLN N 1.0 -51.6 -31.6 PSI 23 23 A 38 THR C A 39 PHE N A 39 PHE CA A 39 PHE C 1.0 -71.5 -50.7 PHI 24 24 A 39 PHE N A 39 PHE CA A 39 PHE C A 40 ALA N 1.0 -49.9 -29.9 PSI 25 25 A 39 PHE C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -75.5 -55.5 PHI 26 26 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 TYR N 1.0 -47.5 -26.9 PSI 27 27 A 40 ALA C A 41 TYR N A 41 TYR CA A 41 TYR C 1.0 -79.7 -55.9 PHI 28 28 A 41 TYR N A 41 TYR CA A 41 TYR C A 42 LEU N 1.0 -56.0 -20.2 PSI 29 29 A 41 TYR C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -74.9 -54.9 PHI 30 30 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ALA N 1.0 -58.7 -23.9 PSI 31 31 A 42 LEU C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -71.7 -42.7 PHI 32 32 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ALA N 1.0 -60.3 -28.9 PSI 33 33 A 43 ALA C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -72.6 -52.6 PHI 34 34 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 LYS N 1.0 -55.4 -28.4 PSI 35 35 A 50 PRO C A 51 ASN N A 51 ASN CA A 51 ASN C 1.0 -75.5 -55.5 PHI 36 36 A 51 ASN N A 51 ASN CA A 51 ASN C A 52 GLN N 1.0 -49.2 -19.0 PSI 37 37 A 51 ASN C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -79.3 -55.7 PHI 38 38 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 VAL N 1.0 -53.3 -15.5 PSI 39 39 A 52 GLN C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -75.6 -55.6 PHI 40 40 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 SER N 1.0 -51.8 -31.8 PSI 41 41 A 53 VAL C A 54 SER N A 54 SER CA A 54 SER C 1.0 -71.5 -46.3 PHI 42 42 A 54 SER N A 54 SER CA A 54 SER C A 55 GLU N 1.0 -54.5 -25.9 PSI 43 43 A 54 SER C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -71.9 -51.9 PHI 44 44 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 ARG N 1.0 -53.3 -32.7 PSI 45 45 A 55 GLU C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -84.5 -48.3 PHI 46 46 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 PHE N 1.0 -55.8 -24.2 PSI 47 47 A 56 ARG C A 57 PHE N A 57 PHE CA A 57 PHE C 1.0 -78.7 -48.9 PHI 48 48 A 57 PHE N A 57 PHE CA A 57 PHE C A 58 GLN N 1.0 -55.7 -31.9 PSI 49 49 A 57 PHE C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -73.6 -45.8 PHI 50 50 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 GLN N 1.0 -58.9 -26.1 PSI 51 51 A 58 GLN C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -76.9 -53.9 PHI 52 52 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 LEU N 1.0 -54.4 -27.8 PSI 53 53 A 59 GLN C A 60 LEU N A 60 LEU CA A 60 LEU C 1.0 -84.5 -48.3 PHI 54 54 A 60 LEU N A 60 LEU CA A 60 LEU C A 61 MET N 1.0 -56.6 -24.4 PSI 55 55 A 60 LEU C A 61 MET N A 61 MET CA A 61 MET C 1.0 -75.5 -54.7 PHI 56 56 A 61 MET N A 61 MET CA A 61 MET C A 62 LYS N 1.0 -50.5 -27.9 PSI 57 57 A 61 MET C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -73.9 -53.9 PHI 58 58 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 LEU N 1.0 -51.8 -30.2 PSI 59 59 A 62 LYS C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -75.2 -49.8 PHI 60 60 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 PHE N 1.0 -52.4 -31.4 PSI 61 61 A 63 LEU C A 64 PHE N A 64 PHE CA A 64 PHE C 1.0 -75.5 -50.9 PHI 62 62 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 GLU N 1.0 -64.5 -17.5 PSI 63 63 A 64 PHE C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -79.4 -49.0 PHI 64 64 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 LYS N 1.0 -58.9 -18.9 PSI stop_ save_