data_nef_c18735_2lz1 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB HR3520O PDB 2lz1 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 LYS middle . . 13 A 13 HIS middle . . 14 A 14 SER middle . . 15 A 15 SER middle . . 16 A 16 ARG middle . . 17 A 17 LEU middle . . 18 A 18 GLU middle . . 19 A 19 ALA middle . . 20 A 20 HIS middle . . 21 A 21 LEU middle . . 22 A 22 THR middle . . 23 A 23 ARG middle . . 24 A 24 ASP middle . . 25 A 25 GLU middle . . 26 A 26 LEU middle . . 27 A 27 ARG middle . . 28 A 28 ALA middle . . 29 A 29 LYS middle . . 30 A 30 ALA middle . . 31 A 31 LEU middle . . 32 A 32 HIS middle . . 33 A 33 ILE middle . . 34 A 34 PRO middle . false 35 A 35 PHE middle . . 36 A 36 PRO middle . false 37 A 37 VAL middle . . 38 A 38 GLU middle . . 39 A 39 LYS middle . . 40 A 40 ILE middle . . 41 A 41 ILE middle . . 42 A 42 ASN middle . . 43 A 43 LEU middle . . 44 A 44 PRO middle . false 45 A 45 VAL middle . . 46 A 46 VAL middle . . 47 A 47 ASP middle . . 48 A 48 PHE middle . . 49 A 49 ASN middle . . 50 A 50 GLU middle . . 51 A 51 MET middle . . 52 A 52 MET middle . . 53 A 53 SER middle . . 54 A 54 LYS middle . . 55 A 55 GLU middle . . 56 A 56 GLN middle . . 57 A 57 PHE middle . . 58 A 58 ASN middle . . 59 A 59 GLU middle . . 60 A 60 ALA middle . . 61 A 61 GLN middle . . 62 A 62 LEU middle . . 63 A 63 ALA middle . . 64 A 64 LEU middle . . 65 A 65 ILE middle . . 66 A 66 ARG middle . . 67 A 67 ASP middle . . 68 A 68 ILE middle . . 69 A 69 ARG middle . . 70 A 70 ARG middle . . 71 A 71 ARG middle . . 72 A 72 GLY middle . false 73 A 73 LYS middle . . 74 A 74 ASN middle . . 75 A 75 LYS middle . . 76 A 76 VAL middle . . 77 A 77 ALA middle . . 78 A 78 ALA middle . . 79 A 79 GLN middle . . 80 A 80 ASN middle . . 81 A 81 CYS middle . . 82 A 82 ARG middle . . 83 A 83 LYS middle . . 84 A 84 ARG middle . . 85 A 85 LYS middle . . 86 A 86 LEU middle . . 87 A 87 GLU middle . . 88 A 88 ASN middle . . 89 A 89 ILE middle . . 90 A 90 VAL 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 9 SER HA H 1 4.423 0.02 A 9 SER HB2 H 1 3.832 0.02 A 9 SER HB3 H 1 3.832 0.02 A 9 SER C C 13 174.245 0.2 A 9 SER CA C 13 58.071 0.2 A 9 SER CB C 13 63.816 0.2 A 10 HIS H H 1 8.717 0.02 A 10 HIS HBx H 1 3.175 0.02 A 10 HIS HBy H 1 3.266 0.02 A 10 HIS C C 13 174.402 0.2 A 10 HIS CA C 13 55.330 0.2 A 10 HIS CB C 13 29.150 0.2 A 10 HIS N N 15 120.952 0.2 A 11 MET H H 1 8.385 0.02 A 11 MET HA H 1 4.435 0.02 A 11 MET HBx H 1 1.944 0.02 A 11 MET HBy H 1 2.003 0.02 A 11 MET HGx H 1 2.480 0.02 A 11 MET HGy H 1 2.519 0.02 A 11 MET C C 13 175.864 0.2 A 11 MET CA C 13 55.370 0.2 A 11 MET CB C 13 33.006 0.2 A 11 MET CG C 13 31.581 0.2 A 11 MET N N 15 121.944 0.2 A 12 LYS H H 1 8.462 0.02 A 12 LYS HA H 1 4.295 0.02 A 12 LYS HB2 H 1 1.750 0.02 A 12 LYS HB3 H 1 1.750 0.02 A 12 LYS C C 13 176.255 0.2 A 12 LYS CA C 13 56.357 0.2 A 12 LYS CB C 13 32.990 0.2 A 12 LYS N N 15 123.299 0.2 A 13 HIS H H 1 8.618 0.02 A 13 HIS HA H 1 4.731 0.02 A 13 HIS HB2 H 1 3.218 0.02 A 13 HIS HB3 H 1 3.218 0.02 A 13 HIS C C 13 174.478 0.2 A 13 HIS CA C 13 55.178 0.2 A 13 HIS CB C 13 29.384 0.2 A 13 HIS N N 15 120.500 0.2 A 14 SER H H 1 8.459 0.02 A 14 SER HA H 1 4.503 0.02 A 14 SER HBx H 1 3.845 0.02 A 14 SER HBy H 1 3.888 0.02 A 14 SER C C 13 174.460 0.2 A 14 SER CA C 13 57.997 0.2 A 14 SER CB C 13 63.805 0.2 A 14 SER N N 15 117.888 0.2 A 15 SER H H 1 8.551 0.02 A 15 SER HA H 1 4.503 0.02 A 15 SER HBx H 1 3.888 0.02 A 15 SER HBy H 1 3.916 0.02 A 15 SER C C 13 174.481 0.2 A 15 SER CA C 13 58.216 0.2 A 15 SER CB C 13 63.795 0.2 A 15 SER N N 15 118.588 0.2 A 16 ARG H H 1 8.414 0.02 A 16 ARG HA H 1 4.329 0.02 A 16 ARG HBx H 1 1.776 0.02 A 16 ARG HBy H 1 1.866 0.02 A 16 ARG HD2 H 1 3.212 0.02 A 16 ARG HD3 H 1 3.212 0.02 A 16 ARG HG2 H 1 1.615 0.02 A 16 ARG HG3 H 1 1.615 0.02 A 16 ARG C C 13 176.229 0.2 A 16 ARG CA C 13 56.315 0.2 A 16 ARG CB C 13 30.583 0.2 A 16 ARG CD C 13 43.253 0.2 A 16 ARG CG C 13 27.038 0.2 A 16 ARG N N 15 123.019 0.2 A 17 LEU H H 1 8.268 0.02 A 17 LEU HA H 1 4.329 0.02 A 17 LEU HB2 H 1 1.596 0.02 A 17 LEU HB3 H 1 1.596 0.02 A 17 LEU HD1% H 1 0.925 0.02 A 17 LEU HD2% H 1 0.870 0.02 A 17 LEU HG H 1 1.613 0.02 A 17 LEU C C 13 177.284 0.2 A 17 LEU CA C 13 55.284 0.2 A 17 LEU CB C 13 42.131 0.2 A 17 LEU CD1 C 13 24.701 0.2 A 17 LEU CD2 C 13 23.385 0.2 A 17 LEU CG C 13 26.865 0.2 A 17 LEU N N 15 123.323 0.2 A 18 GLU H H 1 8.336 0.02 A 18 GLU HA H 1 4.250 0.02 A 18 GLU HBx H 1 1.924 0.02 A 18 GLU HBy H 1 2.034 0.02 A 18 GLU HG2 H 1 2.264 0.02 A 18 GLU HG3 H 1 2.264 0.02 A 18 GLU C C 13 175.957 0.2 A 18 GLU CA C 13 56.328 0.2 A 18 GLU CB C 13 30.188 0.2 A 18 GLU CG C 13 35.993 0.2 A 18 GLU N N 15 121.920 0.2 A 19 ALA H H 1 8.229 0.02 A 19 ALA HA H 1 4.259 0.02 A 19 ALA HB% H 1 1.339 0.02 A 19 ALA C C 13 177.454 0.2 A 19 ALA CA C 13 52.445 0.2 A 19 ALA CB C 13 19.180 0.2 A 19 ALA N N 15 124.721 0.2 A 20 HIS H H 1 8.517 0.02 A 20 HIS HA H 1 4.705 0.02 A 20 HIS HBx H 1 3.179 0.02 A 20 HIS HBy H 1 3.267 0.02 A 20 HIS HD2 H 1 7.274 0.02 A 20 HIS C C 13 174.384 0.2 A 20 HIS CA C 13 55.093 0.2 A 20 HIS CB C 13 28.847 0.2 A 20 HIS CD2 C 13 119.918 0.2 A 20 HIS N N 15 117.824 0.2 A 21 LEU H H 1 8.212 0.02 A 21 LEU HA H 1 4.571 0.02 A 21 LEU HBx H 1 1.567 0.02 A 21 LEU HBy H 1 1.653 0.02 A 21 LEU HD1% H 1 0.885 0.02 A 21 LEU HD2% H 1 0.849 0.02 A 21 LEU HG H 1 1.654 0.02 A 21 LEU C C 13 177.717 0.2 A 21 LEU CA C 13 54.978 0.2 A 21 LEU CB C 13 42.583 0.2 A 21 LEU CD1 C 13 25.223 0.2 A 21 LEU CD2 C 13 23.311 0.2 A 21 LEU CG C 13 27.176 0.2 A 21 LEU N N 15 123.538 0.2 A 22 THR H H 1 8.723 0.02 A 22 THR HA H 1 4.361 0.02 A 22 THR HB H 1 4.596 0.02 A 22 THR HG2% H 1 1.348 0.02 A 22 THR C C 13 175.175 0.2 A 22 THR CA C 13 61.468 0.2 A 22 THR CB C 13 70.565 0.2 A 22 THR CG2 C 13 21.614 0.2 A 22 THR N N 15 113.830 0.2 A 23 ARG H H 1 8.681 0.02 A 23 ARG HA H 1 4.076 0.02 A 23 ARG HBx H 1 1.888 0.02 A 23 ARG HBy H 1 1.940 0.02 A 23 ARG HD2 H 1 3.223 0.02 A 23 ARG HD3 H 1 3.223 0.02 A 23 ARG HGx H 1 1.613 0.02 A 23 ARG HGy H 1 1.764 0.02 A 23 ARG C C 13 178.882 0.2 A 23 ARG CA C 13 59.315 0.2 A 23 ARG CB C 13 29.644 0.2 A 23 ARG CD C 13 43.254 0.2 A 23 ARG CG C 13 27.129 0.2 A 23 ARG N N 15 120.942 0.2 A 24 ASP H H 1 8.469 0.02 A 24 ASP HA H 1 4.473 0.02 A 24 ASP HBx H 1 2.465 0.02 A 24 ASP HBy H 1 2.599 0.02 A 24 ASP C C 13 177.989 0.2 A 24 ASP CA C 13 57.655 0.2 A 24 ASP CB C 13 40.402 0.2 A 24 ASP N N 15 118.595 0.2 A 25 GLU H H 1 7.968 0.02 A 25 GLU HA H 1 4.026 0.02 A 25 GLU HB2 H 1 2.355 0.02 A 25 GLU HB3 H 1 2.028 0.02 A 25 GLU HG2 H 1 2.398 0.02 A 25 GLU HG3 H 1 2.398 0.02 A 25 GLU C C 13 179.673 0.2 A 25 GLU CA C 13 59.278 0.2 A 25 GLU CB C 13 30.067 0.2 A 25 GLU CG C 13 37.068 0.2 A 25 GLU N N 15 119.647 0.2 A 26 LEU H H 1 8.351 0.02 A 26 LEU HA H 1 4.050 0.02 A 26 LEU HBx H 1 1.580 0.02 A 26 LEU HBy H 1 1.927 0.02 A 26 LEU HD1% H 1 0.888 0.02 A 26 LEU HD2% H 1 0.903 0.02 A 26 LEU HG H 1 1.696 0.02 A 26 LEU C C 13 180.249 0.2 A 26 LEU CA C 13 57.964 0.2 A 26 LEU CB C 13 41.566 0.2 A 26 LEU CD1 C 13 25.065 0.2 A 26 LEU CD2 C 13 23.580 0.2 A 26 LEU CG C 13 26.761 0.2 A 26 LEU N N 15 120.811 0.2 A 27 ARG H H 1 8.295 0.02 A 27 ARG HA H 1 4.078 0.02 A 27 ARG HBx H 1 1.931 0.02 A 27 ARG HBy H 1 1.970 0.02 A 27 ARG HDx H 1 3.171 0.02 A 27 ARG HDy H 1 3.236 0.02 A 27 ARG HGx H 1 1.707 0.02 A 27 ARG HGy H 1 1.941 0.02 A 27 ARG C C 13 178.193 0.2 A 27 ARG CA C 13 58.930 0.2 A 27 ARG CB C 13 30.177 0.2 A 27 ARG CD C 13 43.603 0.2 A 27 ARG CG C 13 27.163 0.2 A 27 ARG N N 15 120.623 0.2 A 28 ALA H H 1 8.355 0.02 A 28 ALA HA H 1 3.878 0.02 A 28 ALA HB% H 1 1.391 0.02 A 28 ALA C C 13 179.316 0.2 A 28 ALA CA C 13 54.940 0.2 A 28 ALA CB C 13 17.406 0.2 A 28 ALA N N 15 121.158 0.2 A 29 LYS H H 1 7.910 0.02 A 29 LYS HA H 1 4.143 0.02 A 29 LYS HB2 H 1 1.919 0.02 A 29 LYS HB3 H 1 1.919 0.02 A 29 LYS HD2 H 1 1.669 0.02 A 29 LYS HD3 H 1 1.669 0.02 A 29 LYS HGx H 1 1.458 0.02 A 29 LYS HGy H 1 1.577 0.02 A 29 LYS C C 13 180.589 0.2 A 29 LYS CA C 13 58.766 0.2 A 29 LYS CB C 13 32.258 0.2 A 29 LYS CD C 13 28.844 0.2 A 29 LYS CG C 13 24.874 0.2 A 29 LYS N N 15 118.182 0.2 A 30 ALA H H 1 7.999 0.02 A 30 ALA HA H 1 4.075 0.02 A 30 ALA HB% H 1 1.502 0.02 A 30 ALA C C 13 178.899 0.2 A 30 ALA CA C 13 54.527 0.2 A 30 ALA CB C 13 17.820 0.2 A 30 ALA N N 15 123.420 0.2 A 31 LEU H H 1 7.460 0.02 A 31 LEU HA H 1 4.356 0.02 A 31 LEU HB2 H 1 1.641 0.02 A 31 LEU HB3 H 1 1.750 0.02 A 31 LEU HD1% H 1 0.835 0.02 A 31 LEU HD2% H 1 0.850 0.02 A 31 LEU HG H 1 1.758 0.02 A 31 LEU C C 13 176.246 0.2 A 31 LEU CA C 13 53.899 0.2 A 31 LEU CB C 13 41.971 0.2 A 31 LEU CD1 C 13 25.973 0.2 A 31 LEU CD2 C 13 23.168 0.2 A 31 LEU CG C 13 27.450 0.2 A 31 LEU N N 15 114.982 0.2 A 32 HIS H H 1 7.970 0.02 A 32 HIS HA H 1 4.291 0.02 A 32 HIS HBx H 1 3.331 0.02 A 32 HIS HBy H 1 3.432 0.02 A 32 HIS C C 13 174.095 0.2 A 32 HIS CA C 13 55.643 0.2 A 32 HIS CB C 13 25.541 0.2 A 32 HIS N N 15 115.378 0.2 A 33 ILE H H 1 8.137 0.02 A 33 ILE HA H 1 4.194 0.02 A 33 ILE HB H 1 1.911 0.02 A 33 ILE HD1% H 1 0.789 0.02 A 33 ILE HG1x H 1 1.226 0.02 A 33 ILE HG1y H 1 1.481 0.02 A 33 ILE HG2% H 1 0.794 0.02 A 33 ILE C C 13 176.535 0.2 A 33 ILE CA C 13 57.973 0.2 A 33 ILE CB C 13 37.009 0.2 A 33 ILE CD1 C 13 12.146 0.2 A 33 ILE CG1 C 13 28.095 0.2 A 33 ILE CG2 C 13 16.846 0.2 A 33 ILE N N 15 119.763 0.2 A 34 PRO HA H 1 4.492 0.02 A 34 PRO HBx H 1 1.970 0.02 A 34 PRO HBy H 1 2.051 0.02 A 34 PRO HD2 H 1 3.304 0.02 A 34 PRO HD3 H 1 4.087 0.02 A 34 PRO HGx H 1 1.306 0.02 A 34 PRO HGy H 1 2.007 0.02 A 34 PRO CA C 13 64.038 0.2 A 34 PRO CB C 13 31.181 0.2 A 34 PRO CD C 13 50.854 0.2 A 34 PRO CG C 13 26.108 0.2 A 35 PHE H H 1 6.395 0.02 A 35 PHE HA H 1 5.208 0.02 A 35 PHE HB2 H 1 2.700 0.02 A 35 PHE HB3 H 1 3.224 0.02 A 35 PHE HD1 H 1 7.159 0.02 A 35 PHE HD2 H 1 7.159 0.02 A 35 PHE HE1 H 1 7.421 0.02 A 35 PHE HE2 H 1 7.421 0.02 A 35 PHE CA C 13 52.911 0.2 A 35 PHE CB C 13 39.578 0.2 A 35 PHE CD1 C 13 131.418 0.2 A 35 PHE CD2 C 13 131.418 0.2 A 35 PHE CE1 C 13 131.418 0.2 A 35 PHE CE2 C 13 131.418 0.2 A 35 PHE N N 15 117.983 0.2 A 36 PRO HA H 1 4.707 0.02 A 36 PRO HBx H 1 1.987 0.02 A 36 PRO HBy H 1 2.568 0.02 A 36 PRO HDx H 1 3.617 0.02 A 36 PRO HDy H 1 4.125 0.02 A 36 PRO HG2 H 1 2.167 0.02 A 36 PRO HG3 H 1 2.167 0.02 A 36 PRO C C 13 178.407 0.2 A 36 PRO CA C 13 62.097 0.2 A 36 PRO CB C 13 32.293 0.2 A 36 PRO CD C 13 50.817 0.2 A 36 PRO CG C 13 27.791 0.2 A 37 VAL H H 1 9.014 0.02 A 37 VAL HA H 1 3.575 0.02 A 37 VAL HB H 1 2.107 0.02 A 37 VAL HG1% H 1 0.958 0.02 A 37 VAL HG2% H 1 0.994 0.02 A 37 VAL C C 13 177.353 0.2 A 37 VAL CA C 13 66.636 0.2 A 37 VAL CB C 13 31.352 0.2 A 37 VAL CG1 C 13 21.893 0.2 A 37 VAL CG2 C 13 22.619 0.2 A 37 VAL N N 15 124.318 0.2 A 38 GLU H H 1 9.068 0.02 A 38 GLU HA H 1 3.964 0.02 A 38 GLU HBy H 1 2.063 0.02 A 38 GLU HBx H 1 1.987 0.02 A 38 GLU HG2 H 1 2.299 0.02 A 38 GLU HG3 H 1 2.299 0.02 A 38 GLU C C 13 178.295 0.2 A 38 GLU CA C 13 59.417 0.2 A 38 GLU CB C 13 28.814 0.2 A 38 GLU CG C 13 35.855 0.2 A 38 GLU N N 15 117.536 0.2 A 39 LYS H H 1 7.179 0.02 A 39 LYS HA H 1 4.188 0.02 A 39 LYS HBx H 1 1.826 0.02 A 39 LYS HBy H 1 1.972 0.02 A 39 LYS HD2 H 1 1.667 0.02 A 39 LYS HD3 H 1 1.667 0.02 A 39 LYS HEx H 1 2.928 0.02 A 39 LYS HEy H 1 2.953 0.02 A 39 LYS HGx H 1 1.369 0.02 A 39 LYS HGy H 1 1.567 0.02 A 39 LYS C C 13 177.775 0.2 A 39 LYS CA C 13 58.200 0.2 A 39 LYS CB C 13 32.606 0.2 A 39 LYS CD C 13 29.171 0.2 A 39 LYS CE C 13 41.915 0.2 A 39 LYS CG C 13 25.383 0.2 A 39 LYS N N 15 117.092 0.2 A 40 ILE H H 1 7.429 0.02 A 40 ILE HA H 1 3.530 0.02 A 40 ILE HB H 1 2.124 0.02 A 40 ILE HD1% H 1 0.947 0.02 A 40 ILE HG12 H 1 1.013 0.02 A 40 ILE HG13 H 1 1.875 0.02 A 40 ILE HG2% H 1 0.906 0.02 A 40 ILE C C 13 176.870 0.2 A 40 ILE CA C 13 64.912 0.2 A 40 ILE CB C 13 38.101 0.2 A 40 ILE CD1 C 13 13.702 0.2 A 40 ILE CG1 C 13 28.691 0.2 A 40 ILE CG2 C 13 18.826 0.2 A 40 ILE N N 15 116.835 0.2 A 41 ILE H H 1 7.787 0.02 A 41 ILE HA H 1 3.518 0.02 A 41 ILE HB H 1 1.625 0.02 A 41 ILE HD1% H 1 0.773 0.02 A 41 ILE HG1x H 1 0.903 0.02 A 41 ILE HG1y H 1 1.600 0.02 A 41 ILE HG2% H 1 0.773 0.02 A 41 ILE CA C 13 65.245 0.2 A 41 ILE CB C 13 38.827 0.2 A 41 ILE CD1 C 13 13.928 0.2 A 41 ILE CG1 C 13 29.137 0.2 A 41 ILE CG2 C 13 17.158 0.2 A 41 ILE N N 15 115.213 0.2 A 42 ASN H H 1 7.637 0.02 A 42 ASN HA H 1 4.649 0.02 A 42 ASN HBx H 1 2.780 0.02 A 42 ASN HBy H 1 2.832 0.02 A 42 ASN HD2y H 1 7.734 0.02 A 42 ASN HD2x H 1 7.022 0.02 A 42 ASN CA C 13 54.321 0.2 A 42 ASN CB C 13 39.958 0.2 A 42 ASN N N 15 113.162 0.2 A 42 ASN ND2 N 15 113.873 0.2 A 43 LEU H H 1 7.725 0.02 A 43 LEU HA H 1 4.528 0.02 A 43 LEU HB2 H 1 1.803 0.02 A 43 LEU HB3 H 1 1.469 0.02 A 43 LEU HD1% H 1 0.873 0.02 A 43 LEU HD2% H 1 0.948 0.02 A 43 LEU HG H 1 2.061 0.02 A 43 LEU C C 13 175.830 0.2 A 43 LEU CA C 13 54.349 0.2 A 43 LEU CB C 13 42.736 0.2 A 43 LEU CD1 C 13 26.594 0.2 A 43 LEU CD2 C 13 23.507 0.2 A 43 LEU CG C 13 26.597 0.2 A 43 LEU N N 15 121.809 0.2 A 44 PRO HA H 1 4.603 0.02 A 44 PRO HBx H 1 2.092 0.02 A 44 PRO HBy H 1 2.547 0.02 A 44 PRO HDx H 1 3.702 0.02 A 44 PRO HDy H 1 4.135 0.02 A 44 PRO HGx H 1 2.092 0.02 A 44 PRO HGy H 1 2.176 0.02 A 44 PRO C C 13 176.509 0.2 A 44 PRO CA C 13 62.369 0.2 A 44 PRO CB C 13 32.514 0.2 A 44 PRO CD C 13 51.207 0.2 A 44 PRO CG C 13 28.032 0.2 A 45 VAL H H 1 8.608 0.02 A 45 VAL HA H 1 3.655 0.02 A 45 VAL HB H 1 2.092 0.02 A 45 VAL HG1% H 1 1.028 0.02 A 45 VAL HG2% H 1 1.124 0.02 A 45 VAL C C 13 176.867 0.2 A 45 VAL CA C 13 67.290 0.2 A 45 VAL CB C 13 31.864 0.2 A 45 VAL CG1 C 13 20.361 0.2 A 45 VAL CG2 C 13 22.537 0.2 A 45 VAL N N 15 122.659 0.2 A 46 VAL H H 1 8.457 0.02 A 46 VAL HA H 1 3.909 0.02 A 46 VAL HB H 1 2.051 0.02 A 46 VAL HG1% H 1 0.980 0.02 A 46 VAL HG2% H 1 1.075 0.02 A 46 VAL C C 13 177.985 0.2 A 46 VAL CA C 13 66.241 0.2 A 46 VAL CB C 13 31.239 0.2 A 46 VAL CG1 C 13 20.595 0.2 A 46 VAL CG2 C 13 21.910 0.2 A 46 VAL N N 15 118.187 0.2 A 47 ASP H H 1 7.118 0.02 A 47 ASP HA H 1 4.473 0.02 A 47 ASP HBx H 1 2.576 0.02 A 47 ASP HBy H 1 2.711 0.02 A 47 ASP C C 13 178.655 0.2 A 47 ASP CA C 13 56.630 0.2 A 47 ASP CB C 13 41.392 0.2 A 47 ASP N N 15 119.823 0.2 A 48 PHE H H 1 9.015 0.02 A 48 PHE HA H 1 4.016 0.02 A 48 PHE HBx H 1 2.920 0.02 A 48 PHE HBy H 1 3.119 0.02 A 48 PHE HD1 H 1 7.110 0.02 A 48 PHE HD2 H 1 7.110 0.02 A 48 PHE HE1 H 1 7.193 0.02 A 48 PHE HE2 H 1 7.193 0.02 A 48 PHE HZ H 1 7.115 0.02 A 48 PHE C C 13 176.093 0.2 A 48 PHE CA C 13 61.453 0.2 A 48 PHE CB C 13 39.121 0.2 A 48 PHE CD1 C 13 131.306 0.2 A 48 PHE CD2 C 13 131.306 0.2 A 48 PHE CE1 C 13 131.250 0.2 A 48 PHE CE2 C 13 131.250 0.2 A 48 PHE CZ C 13 129.545 0.2 A 48 PHE N N 15 123.191 0.2 A 49 ASN H H 1 8.927 0.02 A 49 ASN HA H 1 4.176 0.02 A 49 ASN HB2 H 1 2.962 0.02 A 49 ASN HB3 H 1 2.802 0.02 A 49 ASN HD2y H 1 7.718 0.02 A 49 ASN HD2x H 1 6.848 0.02 A 49 ASN C C 13 178.656 0.2 A 49 ASN CA C 13 55.520 0.2 A 49 ASN CB C 13 36.948 0.2 A 49 ASN N N 15 118.399 0.2 A 49 ASN ND2 N 15 111.022 0.2 A 50 GLU H H 1 7.900 0.02 A 50 GLU HA H 1 4.058 0.02 A 50 GLU HBx H 1 2.089 0.02 A 50 GLU HBy H 1 2.169 0.02 A 50 GLU HGx H 1 2.296 0.02 A 50 GLU HGy H 1 2.385 0.02 A 50 GLU C C 13 178.765 0.2 A 50 GLU CA C 13 59.139 0.2 A 50 GLU CB C 13 28.862 0.2 A 50 GLU CG C 13 35.497 0.2 A 50 GLU N N 15 120.964 0.2 A 51 MET H H 1 7.874 0.02 A 51 MET HA H 1 3.979 0.02 A 51 MET HBx H 1 1.931 0.02 A 51 MET HBy H 1 2.027 0.02 A 51 MET HGx H 1 1.947 0.02 A 51 MET HGy H 1 2.272 0.02 A 51 MET C C 13 178.363 0.2 A 51 MET CA C 13 58.970 0.2 A 51 MET CB C 13 32.269 0.2 A 51 MET CG C 13 31.450 0.2 A 51 MET N N 15 120.984 0.2 A 52 MET H H 1 7.939 0.02 A 52 MET HA H 1 4.314 0.02 A 52 MET HB2 H 1 1.904 0.02 A 52 MET HB3 H 1 1.904 0.02 A 52 MET HG2 H 1 1.656 0.02 A 52 MET HG3 H 1 1.656 0.02 A 52 MET C C 13 178.602 0.2 A 52 MET CA C 13 56.396 0.2 A 52 MET CB C 13 31.519 0.2 A 52 MET N N 15 115.902 0.2 A 53 SER H H 1 7.700 0.02 A 53 SER HA H 1 4.353 0.02 A 53 SER HB2 H 1 4.008 0.02 A 53 SER HB3 H 1 4.008 0.02 A 53 SER C C 13 175.233 0.2 A 53 SER CA C 13 60.400 0.2 A 53 SER CB C 13 63.508 0.2 A 53 SER N N 15 113.233 0.2 A 54 LYS H H 1 7.431 0.02 A 54 LYS HA H 1 4.321 0.02 A 54 LYS HBx H 1 1.881 0.02 A 54 LYS HBy H 1 1.990 0.02 A 54 LYS HD2 H 1 1.668 0.02 A 54 LYS HD3 H 1 1.668 0.02 A 54 LYS HE2 H 1 3.000 0.02 A 54 LYS HE3 H 1 3.000 0.02 A 54 LYS HGx H 1 1.476 0.02 A 54 LYS HGy H 1 1.585 0.02 A 54 LYS C C 13 176.544 0.2 A 54 LYS CA C 13 56.583 0.2 A 54 LYS CB C 13 33.158 0.2 A 54 LYS CD C 13 28.790 0.2 A 54 LYS CE C 13 42.066 0.2 A 54 LYS CG C 13 24.779 0.2 A 54 LYS N N 15 119.637 0.2 A 55 GLU H H 1 7.489 0.02 A 55 GLU HA H 1 4.271 0.02 A 55 GLU HBx H 1 1.173 0.02 A 55 GLU HBy H 1 1.296 0.02 A 55 GLU HGx H 1 2.090 0.02 A 55 GLU HGy H 1 2.207 0.02 A 55 GLU C C 13 175.010 0.2 A 55 GLU CA C 13 54.606 0.2 A 55 GLU CB C 13 30.580 0.2 A 55 GLU CG C 13 34.616 0.2 A 55 GLU N N 15 117.398 0.2 A 56 GLN H H 1 8.170 0.02 A 56 GLN HA H 1 4.366 0.02 A 56 GLN HBx H 1 1.852 0.02 A 56 GLN HBy H 1 1.953 0.02 A 56 GLN HE2y H 1 7.474 0.02 A 56 GLN HE2x H 1 6.783 0.02 A 56 GLN HG2 H 1 2.204 0.02 A 56 GLN HG3 H 1 2.204 0.02 A 56 GLN C C 13 175.033 0.2 A 56 GLN CA C 13 54.693 0.2 A 56 GLN CB C 13 28.647 0.2 A 56 GLN CG C 13 33.632 0.2 A 56 GLN N N 15 119.637 0.2 A 56 GLN NE2 N 15 112.411 0.2 A 57 PHE H H 1 8.210 0.02 A 57 PHE HA H 1 5.152 0.02 A 57 PHE HB2 H 1 2.760 0.02 A 57 PHE HB3 H 1 3.327 0.02 A 57 PHE HD1 H 1 7.284 0.02 A 57 PHE HD2 H 1 7.284 0.02 A 57 PHE HE1 H 1 6.991 0.02 A 57 PHE HE2 H 1 6.991 0.02 A 57 PHE C C 13 176.195 0.2 A 57 PHE CA C 13 56.152 0.2 A 57 PHE CB C 13 41.475 0.2 A 57 PHE CD1 C 13 131.250 0.2 A 57 PHE CD2 C 13 131.250 0.2 A 57 PHE CE1 C 13 128.356 0.2 A 57 PHE CE2 C 13 128.356 0.2 A 57 PHE N N 15 121.687 0.2 A 58 ASN H H 1 9.101 0.02 A 58 ASN HA H 1 4.902 0.02 A 58 ASN HB2 H 1 2.958 0.02 A 58 ASN HB3 H 1 3.395 0.02 A 58 ASN HD2y H 1 7.563 0.02 A 58 ASN HD2x H 1 6.927 0.02 A 58 ASN C C 13 175.592 0.2 A 58 ASN CA C 13 51.164 0.2 A 58 ASN CB C 13 38.783 0.2 A 58 ASN N N 15 118.681 0.2 A 58 ASN ND2 N 15 111.461 0.2 A 59 GLU H H 1 8.678 0.02 A 59 GLU HA H 1 4.023 0.02 A 59 GLU HB2 H 1 2.092 0.02 A 59 GLU HB3 H 1 2.092 0.02 A 59 GLU HGx H 1 2.400 0.02 A 59 GLU HGy H 1 2.439 0.02 A 59 GLU C C 13 178.669 0.2 A 59 GLU CA C 13 60.047 0.2 A 59 GLU CB C 13 29.163 0.2 A 59 GLU CG C 13 35.991 0.2 A 59 GLU N N 15 117.140 0.2 A 60 ALA H H 1 8.267 0.02 A 60 ALA HA H 1 4.211 0.02 A 60 ALA HB% H 1 1.483 0.02 A 60 ALA C C 13 181.247 0.2 A 60 ALA CA C 13 54.935 0.2 A 60 ALA CB C 13 17.918 0.2 A 60 ALA N N 15 123.334 0.2 A 61 GLN H H 1 8.639 0.02 A 61 GLN HA H 1 3.831 0.02 A 61 GLN HBx H 1 1.494 0.02 A 61 GLN HBy H 1 2.634 0.02 A 61 GLN HE2y H 1 7.642 0.02 A 61 GLN HE2x H 1 7.304 0.02 A 61 GLN HG2 H 1 2.265 0.02 A 61 GLN HG3 H 1 2.958 0.02 A 61 GLN C C 13 177.896 0.2 A 61 GLN CA C 13 59.094 0.2 A 61 GLN CB C 13 29.470 0.2 A 61 GLN CG C 13 35.003 0.2 A 61 GLN N N 15 118.211 0.2 A 61 GLN NE2 N 15 112.153 0.2 A 62 LEU H H 1 8.577 0.02 A 62 LEU HA H 1 3.799 0.02 A 62 LEU HB2 H 1 1.846 0.02 A 62 LEU HB3 H 1 1.455 0.02 A 62 LEU HD1% H 1 0.895 0.02 A 62 LEU HD2% H 1 0.944 0.02 A 62 LEU HG H 1 1.718 0.02 A 62 LEU C C 13 178.687 0.2 A 62 LEU CA C 13 57.975 0.2 A 62 LEU CB C 13 41.908 0.2 A 62 LEU CD1 C 13 25.019 0.2 A 62 LEU CD2 C 13 23.868 0.2 A 62 LEU CG C 13 26.478 0.2 A 62 LEU N N 15 118.222 0.2 A 63 ALA H H 1 8.182 0.02 A 63 ALA HA H 1 4.039 0.02 A 63 ALA HB% H 1 1.498 0.02 A 63 ALA C C 13 180.393 0.2 A 63 ALA CA C 13 54.922 0.2 A 63 ALA CB C 13 17.794 0.2 A 63 ALA N N 15 120.197 0.2 A 64 LEU H H 1 7.453 0.02 A 64 LEU HA H 1 4.248 0.02 A 64 LEU HBx H 1 1.577 0.02 A 64 LEU HBy H 1 1.843 0.02 A 64 LEU HD1% H 1 0.969 0.02 A 64 LEU HD2% H 1 0.826 0.02 A 64 LEU HG H 1 1.524 0.02 A 64 LEU C C 13 178.312 0.2 A 64 LEU CA C 13 57.703 0.2 A 64 LEU CB C 13 40.858 0.2 A 64 LEU CD1 C 13 23.188 0.2 A 64 LEU CD2 C 13 26.318 0.2 A 64 LEU CG C 13 27.088 0.2 A 64 LEU N N 15 118.912 0.2 A 65 ILE H H 1 8.231 0.02 A 65 ILE HA H 1 3.402 0.02 A 65 ILE HB H 1 1.848 0.02 A 65 ILE HD1% H 1 0.317 0.02 A 65 ILE HG1x H 1 0.775 0.02 A 65 ILE HG1y H 1 1.801 0.02 A 65 ILE HG2% H 1 1.132 0.02 A 65 ILE C C 13 177.331 0.2 A 65 ILE CA C 13 66.369 0.2 A 65 ILE CB C 13 38.102 0.2 A 65 ILE CD1 C 13 13.677 0.2 A 65 ILE CG1 C 13 30.256 0.2 A 65 ILE CG2 C 13 17.822 0.2 A 65 ILE N N 15 119.023 0.2 A 66 ARG H H 1 8.430 0.02 A 66 ARG HA H 1 3.914 0.02 A 66 ARG HB2 H 1 1.909 0.02 A 66 ARG HB3 H 1 1.909 0.02 A 66 ARG HDx H 1 3.170 0.02 A 66 ARG HDy H 1 3.231 0.02 A 66 ARG HE H 1 7.081 0.02 A 66 ARG HGx H 1 1.650 0.02 A 66 ARG HGy H 1 1.930 0.02 A 66 ARG C C 13 178.789 0.2 A 66 ARG CA C 13 59.781 0.2 A 66 ARG CB C 13 29.982 0.2 A 66 ARG CD C 13 43.613 0.2 A 66 ARG CG C 13 28.191 0.2 A 66 ARG N N 15 116.865 0.2 A 66 ARG NE N 15 83.703 0.2 A 67 ASP H H 1 7.846 0.02 A 67 ASP HA H 1 4.440 0.02 A 67 ASP HBx H 1 2.842 0.02 A 67 ASP HBy H 1 2.912 0.02 A 67 ASP C C 13 177.998 0.2 A 67 ASP CA C 13 57.548 0.2 A 67 ASP CB C 13 41.911 0.2 A 67 ASP N N 15 120.423 0.2 A 68 ILE H H 1 8.535 0.02 A 68 ILE HA H 1 3.553 0.02 A 68 ILE HB H 1 1.832 0.02 A 68 ILE HD1% H 1 0.756 0.02 A 68 ILE HG12 H 1 0.970 0.02 A 68 ILE HG13 H 1 1.857 0.02 A 68 ILE HG2% H 1 0.813 0.02 A 68 ILE C C 13 178.678 0.2 A 68 ILE CA C 13 65.226 0.2 A 68 ILE CB C 13 38.085 0.2 A 68 ILE CD1 C 13 14.048 0.2 A 68 ILE CG1 C 13 28.759 0.2 A 68 ILE CG2 C 13 17.836 0.2 A 68 ILE N N 15 119.085 0.2 A 69 ARG H H 1 8.231 0.02 A 69 ARG HA H 1 3.716 0.02 A 69 ARG HBx H 1 1.493 0.02 A 69 ARG HBy H 1 1.819 0.02 A 69 ARG HDx H 1 2.108 0.02 A 69 ARG HDy H 1 2.527 0.02 A 69 ARG HE H 1 6.816 0.02 A 69 ARG HGx H 1 1.293 0.02 A 69 ARG HGy H 1 1.424 0.02 A 69 ARG HH11 H 1 5.920 0.02 A 69 ARG HH12 H 1 5.920 0.02 A 69 ARG HH21 H 1 5.920 0.02 A 69 ARG HH22 H 1 5.920 0.02 A 69 ARG C C 13 177.717 0.2 A 69 ARG CA C 13 58.595 0.2 A 69 ARG CB C 13 29.483 0.2 A 69 ARG CD C 13 42.526 0.2 A 69 ARG CG C 13 26.510 0.2 A 69 ARG N N 15 118.726 0.2 A 69 ARG NE N 15 85.675 0.2 A 70 ARG H H 1 7.937 0.02 A 70 ARG HA H 1 4.072 0.02 A 70 ARG HB2 H 1 1.972 0.02 A 70 ARG HB3 H 1 1.972 0.02 A 70 ARG HD2 H 1 3.265 0.02 A 70 ARG HD3 H 1 3.265 0.02 A 70 ARG HGx H 1 1.646 0.02 A 70 ARG HGy H 1 1.751 0.02 A 70 ARG C C 13 178.372 0.2 A 70 ARG CA C 13 58.514 0.2 A 70 ARG CB C 13 30.096 0.2 A 70 ARG CD C 13 43.361 0.2 A 70 ARG CG C 13 27.328 0.2 A 70 ARG N N 15 117.979 0.2 A 71 ARG H H 1 7.990 0.02 A 71 ARG HA H 1 4.131 0.02 A 71 ARG HB2 H 1 1.891 0.02 A 71 ARG HB3 H 1 1.891 0.02 A 71 ARG HD2 H 1 3.218 0.02 A 71 ARG HD3 H 1 3.218 0.02 A 71 ARG HGx H 1 1.668 0.02 A 71 ARG HGy H 1 1.776 0.02 A 71 ARG C C 13 178.333 0.2 A 71 ARG CA C 13 58.277 0.2 A 71 ARG CB C 13 30.481 0.2 A 71 ARG CD C 13 43.269 0.2 A 71 ARG CG C 13 29.156 0.2 A 71 ARG N N 15 118.114 0.2 A 72 GLY H H 1 8.069 0.02 A 72 GLY HAx H 1 3.770 0.02 A 72 GLY HAy H 1 3.981 0.02 A 72 GLY C C 13 174.359 0.2 A 72 GLY CA C 13 45.957 0.2 A 72 GLY N N 15 106.872 0.2 A 73 LYS H H 1 7.982 0.02 A 73 LYS HA H 1 4.246 0.02 A 73 LYS HBx H 1 1.808 0.02 A 73 LYS HBy H 1 1.865 0.02 A 73 LYS HD2 H 1 1.676 0.02 A 73 LYS HD3 H 1 1.676 0.02 A 73 LYS HE2 H 1 2.998 0.02 A 73 LYS HE3 H 1 2.998 0.02 A 73 LYS HGx H 1 1.438 0.02 A 73 LYS HGy H 1 1.493 0.02 A 73 LYS C C 13 176.918 0.2 A 73 LYS CA C 13 56.732 0.2 A 73 LYS CB C 13 32.459 0.2 A 73 LYS CD C 13 29.026 0.2 A 73 LYS CE C 13 41.899 0.2 A 73 LYS CG C 13 24.667 0.2 A 73 LYS N N 15 120.318 0.2 A 74 ASN H H 1 8.195 0.02 A 74 ASN HA H 1 4.657 0.02 A 74 ASN HBx H 1 2.807 0.02 A 74 ASN HBy H 1 2.838 0.02 A 74 ASN HD2y H 1 7.628 0.02 A 74 ASN HD2x H 1 6.942 0.02 A 74 ASN C C 13 175.404 0.2 A 74 ASN CA C 13 53.641 0.2 A 74 ASN CB C 13 38.609 0.2 A 74 ASN N N 15 118.984 0.2 A 74 ASN ND2 N 15 112.630 0.2 A 75 LYS H H 1 8.171 0.02 A 75 LYS HA H 1 4.302 0.02 A 75 LYS HBx H 1 1.805 0.02 A 75 LYS HBy H 1 1.868 0.02 A 75 LYS HD2 H 1 1.675 0.02 A 75 LYS HD3 H 1 1.675 0.02 A 75 LYS HE2 H 1 3.010 0.02 A 75 LYS HE3 H 1 3.010 0.02 A 75 LYS HGy H 1 1.480 0.02 A 75 LYS HGx H 1 1.416 0.02 A 75 LYS C C 13 176.841 0.2 A 75 LYS CA C 13 56.694 0.2 A 75 LYS CB C 13 32.629 0.2 A 75 LYS CD C 13 28.869 0.2 A 75 LYS CE C 13 41.925 0.2 A 75 LYS CG C 13 24.680 0.2 A 75 LYS N N 15 121.760 0.2 A 76 VAL H H 1 8.039 0.02 A 76 VAL HA H 1 4.042 0.02 A 76 VAL HB H 1 2.080 0.02 A 76 VAL HG1% H 1 0.963 0.02 A 76 VAL HG2% H 1 0.963 0.02 A 76 VAL C C 13 176.238 0.2 A 76 VAL CA C 13 62.589 0.2 A 76 VAL CB C 13 32.541 0.2 A 76 VAL CG1 C 13 20.837 0.2 A 76 VAL CG2 C 13 20.837 0.2 A 76 VAL N N 15 120.847 0.2 A 77 ALA H H 1 8.311 0.02 A 77 ALA HA H 1 4.286 0.02 A 77 ALA HB% H 1 1.422 0.02 A 77 ALA C C 13 177.836 0.2 A 77 ALA CA C 13 52.658 0.2 A 77 ALA CB C 13 18.879 0.2 A 77 ALA N N 15 127.241 0.2 A 78 ALA H H 1 8.230 0.02 A 78 ALA HA H 1 4.285 0.02 A 78 ALA HB% H 1 1.416 0.02 A 78 ALA C C 13 178.185 0.2 A 78 ALA CA C 13 52.542 0.2 A 78 ALA CB C 13 18.893 0.2 A 78 ALA N N 15 123.019 0.2 A 79 GLN H H 1 8.319 0.02 A 79 GLN HA H 1 4.297 0.02 A 79 GLN HBx H 1 2.041 0.02 A 79 GLN HBy H 1 2.128 0.02 A 79 GLN HG2 H 1 2.405 0.02 A 79 GLN HG3 H 1 2.405 0.02 A 79 GLN C C 13 176.136 0.2 A 79 GLN CA C 13 56.216 0.2 A 79 GLN CB C 13 29.152 0.2 A 79 GLN CG C 13 33.644 0.2 A 79 GLN N N 15 118.937 0.2 A 80 ASN H H 1 8.438 0.02 A 80 ASN HA H 1 4.704 0.02 A 80 ASN HBx H 1 2.816 0.02 A 80 ASN HBy H 1 2.872 0.02 A 80 ASN C C 13 175.294 0.2 A 80 ASN CA C 13 53.209 0.2 A 80 ASN CB C 13 38.498 0.2 A 80 ASN N N 15 119.275 0.2 A 81 CYS H H 1 8.260 0.02 A 81 CYS HA H 1 4.499 0.02 A 81 CYS HB2 H 1 2.968 0.02 A 81 CYS HB3 H 1 2.968 0.02 A 81 CYS C C 13 174.631 0.2 A 81 CYS CA C 13 58.680 0.2 A 81 CYS CB C 13 27.782 0.2 A 81 CYS N N 15 119.355 0.2 A 82 ARG H H 1 8.356 0.02 A 82 ARG HA H 1 4.304 0.02 A 82 ARG HBx H 1 1.799 0.02 A 82 ARG HBy H 1 1.868 0.02 A 82 ARG HD2 H 1 3.211 0.02 A 82 ARG HD3 H 1 3.211 0.02 A 82 ARG HG2 H 1 1.639 0.02 A 82 ARG HG3 H 1 1.639 0.02 A 82 ARG C C 13 176.250 0.2 A 82 ARG CA C 13 56.301 0.2 A 82 ARG CB C 13 30.495 0.2 A 82 ARG CD C 13 43.227 0.2 A 82 ARG CG C 13 26.869 0.2 A 82 ARG N N 15 123.050 0.2 A 83 LYS H H 1 8.263 0.02 A 83 LYS HA H 1 4.294 0.02 A 83 LYS HBx H 1 1.766 0.02 A 83 LYS HBy H 1 1.843 0.02 A 83 LYS HG2 H 1 1.439 0.02 A 83 LYS HG3 H 1 1.439 0.02 A 83 LYS C C 13 176.408 0.2 A 83 LYS CA C 13 56.338 0.2 A 83 LYS CB C 13 32.886 0.2 A 83 LYS N N 15 122.317 0.2 A 84 ARG H H 1 8.307 0.02 A 84 ARG HA H 1 4.310 0.02 A 84 ARG HBx H 1 1.774 0.02 A 84 ARG HBy H 1 1.845 0.02 A 84 ARG HD2 H 1 3.212 0.02 A 84 ARG HD3 H 1 3.212 0.02 A 84 ARG HG2 H 1 1.648 0.02 A 84 ARG HG3 H 1 1.648 0.02 A 84 ARG C C 13 176.042 0.2 A 84 ARG CA C 13 56.074 0.2 A 84 ARG CB C 13 30.862 0.2 A 84 ARG CD C 13 43.262 0.2 A 84 ARG CG C 13 27.058 0.2 A 84 ARG N N 15 122.435 0.2 A 85 LYS H H 1 8.372 0.02 A 85 LYS HA H 1 4.291 0.02 A 85 LYS HBx H 1 1.773 0.02 A 85 LYS HBy H 1 1.840 0.02 A 85 LYS HD2 H 1 1.689 0.02 A 85 LYS HD3 H 1 1.689 0.02 A 85 LYS HE2 H 1 3.009 0.02 A 85 LYS HE3 H 1 3.009 0.02 A 85 LYS HG2 H 1 1.431 0.02 A 85 LYS HG3 H 1 1.431 0.02 A 85 LYS C C 13 176.333 0.2 A 85 LYS CA C 13 56.329 0.2 A 85 LYS CB C 13 32.909 0.2 A 85 LYS CD C 13 28.918 0.2 A 85 LYS CE C 13 41.961 0.2 A 85 LYS CG C 13 24.732 0.2 A 85 LYS N N 15 123.135 0.2 A 86 LEU H H 1 8.322 0.02 A 86 LEU HA H 1 4.345 0.02 A 86 LEU HB2 H 1 1.633 0.02 A 86 LEU HB3 H 1 1.633 0.02 A 86 LEU C C 13 177.131 0.2 A 86 LEU CA C 13 55.093 0.2 A 86 LEU CB C 13 42.110 0.2 A 86 LEU N N 15 123.856 0.2 A 87 GLU H H 1 8.389 0.02 A 87 GLU HA H 1 4.293 0.02 A 87 GLU HB2 H 1 1.922 0.02 A 87 GLU HB3 H 1 1.922 0.02 A 87 GLU HG2 H 1 2.277 0.02 A 87 GLU HG3 H 1 2.277 0.02 A 87 GLU C C 13 175.855 0.2 A 87 GLU CA C 13 56.289 0.2 A 87 GLU CB C 13 30.225 0.2 A 87 GLU CG C 13 35.778 0.2 A 87 GLU N N 15 120.989 0.2 A 88 ASN H H 1 8.443 0.02 A 88 ASN HA H 1 4.711 0.02 A 88 ASN HBx H 1 2.737 0.02 A 88 ASN HBy H 1 2.823 0.02 A 88 ASN C C 13 174.546 0.2 A 88 ASN CA C 13 53.214 0.2 A 88 ASN CB C 13 38.793 0.2 A 88 ASN N N 15 119.170 0.2 A 89 ILE H H 1 8.081 0.02 A 89 ILE HA H 1 4.204 0.02 A 89 ILE HB H 1 1.890 0.02 A 89 ILE HD1% H 1 0.859 0.02 A 89 ILE HG1x H 1 1.175 0.02 A 89 ILE HG1y H 1 1.468 0.02 A 89 ILE HG2% H 1 0.905 0.02 A 89 ILE C C 13 175.311 0.2 A 89 ILE CA C 13 61.157 0.2 A 89 ILE CB C 13 38.455 0.2 A 89 ILE CD1 C 13 12.664 0.2 A 89 ILE CG1 C 13 27.064 0.2 A 89 ILE CG2 C 13 17.450 0.2 A 89 ILE N N 15 121.477 0.2 A 90 VAL H H 1 7.746 0.02 A 90 VAL HA H 1 4.045 0.02 A 90 VAL HB H 1 2.055 0.02 A 90 VAL HGx% H 1 0.906 0.02 A 90 VAL HGy% H 1 0.888 0.02 A 90 VAL C C 13 180.793 0.2 A 90 VAL CA C 13 63.507 0.2 A 90 VAL CB C 13 33.165 0.2 A 90 VAL CG1 C 13 21.435 0.2 A 90 VAL CG2 C 13 20.169 0.2 A 90 VAL N N 15 128.073 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 11 MET H A 12 LYS HA 1.0 0.0 5.78 2 2 A 14 SER HA A 15 SER H 1.0 0.0 3.73 3 3 A 15 SER HA A 16 ARG H 1.0 0.0 3.50 4 4 A 16 ARG H A 15 SER HBx 1.0 0.0 5.49 5 5 A 16 ARG H A 15 SER HBy 1.0 0.0 5.49 6 6 A 16 ARG H A 16 ARG HG2 1.0 0.0 4.43 7 6 A 16 ARG H A 16 ARG HG3 1.0 0.0 4.43 8 7 A 59 GLU H A 60 ALA H 1.0 0.0 3.62 9 8 A 60 ALA H A 61 GLN H 1.0 0.0 3.84 10 9 A 16 ARG HA A 17 LEU H 1.0 0.0 3.26 11 10 A 60 ALA H A 59 GLU HB2 1.0 0.0 3.69 12 10 A 60 ALA H A 59 GLU HB3 1.0 0.0 3.69 13 11 A 17 LEU H A 17 LEU HB2 1.0 0.0 3.35 14 11 A 17 LEU H A 17 LEU HB3 1.0 0.0 3.35 15 12 A 60 ALA H A 60 ALA HB% 1.0 0.0 3.11 16 13 A 17 LEU H A 17 LEU HD2% 1.0 0.0 5.13 17 14 A 60 ALA H A 31 LEU HD2% 1.0 0.0 5.69 18 15 A 17 LEU HA A 18 GLU H 1.0 0.0 3.26 19 16 A 18 GLU H A 18 GLU HG2 1.0 0.0 4.33 20 16 A 18 GLU H A 18 GLU HG3 1.0 0.0 4.33 21 17 A 18 GLU H A 17 LEU HB2 1.0 0.0 4.17 22 17 A 17 LEU HB3 A 18 GLU H 1.0 0.0 4.17 23 18 A 18 GLU HA A 19 ALA H 1.0 0.0 3.08 24 19 A 19 ALA H A 18 GLU HBy 1.0 0.0 4.97 25 20 A 19 ALA H A 18 GLU HBx 1.0 0.0 4.97 26 21 A 19 ALA H A 19 ALA HB% 1.0 0.0 3.32 27 22 A 19 ALA H A 20 HIS H 1.0 0.0 4.76 28 23 A 20 HIS H A 19 ALA HA 1.0 0.0 3.60 29 24 A 19 ALA HB% A 20 HIS H 1.0 0.0 4.43 30 25 A 21 LEU H A 22 THR H 1.0 0.0 4.56 31 26 A 20 HIS H A 21 LEU H 1.0 0.0 4.15 32 27 A 21 LEU H A 20 HIS HA 1.0 0.0 3.41 33 28 A 21 LEU H A 20 HIS HBy 1.0 0.0 5.01 34 29 A 21 LEU H A 21 LEU HBy 1.0 0.0 4.20 35 30 A 21 LEU H A 21 LEU HG 1.0 0.0 3.77 36 31 A 21 LEU H A 21 LEU HD2% 1.0 0.0 4.28 37 32 A 22 THR H A 20 HIS HA 1.0 0.0 5.01 38 33 A 22 THR H A 25 GLU HB2 1.0 0.0 4.04 39 34 A 22 THR H A 21 LEU HBy 1.0 0.0 4.60 40 35 A 22 THR HB A 23 ARG H 1.0 0.0 3.65 41 36 A 23 ARG H A 23 ARG HBx 1.0 0.0 4.16 42 37 A 23 ARG H A 23 ARG HBy 1.0 0.0 4.16 43 38 A 23 ARG H A 23 ARG HGx 1.0 0.0 5.20 44 39 A 23 ARG H A 22 THR HG2% 1.0 0.0 4.79 45 40 A 23 ARG H A 24 ASP H 1.0 0.0 3.78 46 41 A 24 ASP H A 25 GLU H 1.0 0.0 3.98 47 42 A 22 THR HB A 24 ASP H 1.0 0.0 4.37 48 43 A 24 ASP H A 24 ASP HBy 1.0 0.0 4.22 49 44 A 24 ASP H A 24 ASP HBx 1.0 0.0 4.22 50 45 A 25 GLU H A 26 LEU H 1.0 0.0 3.82 51 46 A 25 GLU HB2 A 25 GLU H 1.0 0.0 3.63 52 47 A 25 GLU HB2 A 26 LEU H 1.0 0.0 4.19 53 48 A 26 LEU H A 26 LEU HBy 1.0 0.0 4.01 54 49 A 26 LEU H A 26 LEU HG 1.0 0.0 3.61 55 50 A 26 LEU H A 26 LEU HBx 1.0 0.0 4.01 56 51 A 26 LEU H A 26 LEU HD1% 1.0 0.0 4.41 57 52 A 24 ASP HA A 27 ARG H 1.0 0.0 4.57 58 53 A 27 ARG H A 27 ARG HGx 1.0 0.0 4.33 59 54 A 26 LEU HD1% A 27 ARG H 1.0 0.0 5.11 60 55 A 27 ARG H A 26 LEU HD2% 1.0 0.0 5.54 61 56 A 28 ALA H A 37 VAL HG2% 1.0 0.0 5.66 62 57 A 28 ALA H A 64 LEU HD1% 1.0 0.0 5.78 63 58 A 28 ALA H A 64 LEU HD2% 1.0 0.0 4.34 64 59 A 28 ALA H A 29 LYS H 1.0 0.0 3.69 65 60 A 29 LYS H A 25 GLU HA 1.0 0.0 4.81 66 61 A 29 LYS H A 27 ARG HA 1.0 0.0 5.05 67 62 A 29 LYS H A 29 LYS HB2 1.0 0.0 3.15 68 62 A 29 LYS H A 29 LYS HB3 1.0 0.0 3.15 69 63 A 29 LYS H A 28 ALA HB% 1.0 0.0 3.66 70 64 A 30 ALA H A 31 LEU H 1.0 0.0 3.73 71 65 A 27 ARG HA A 30 ALA H 1.0 0.0 3.99 72 66 A 30 ALA H A 29 LYS HB2 1.0 0.0 3.57 73 66 A 29 LYS HB3 A 30 ALA H 1.0 0.0 3.57 74 67 A 30 ALA H A 30 ALA HB% 1.0 0.0 3.20 75 68 A 30 ALA H A 31 LEU HD1% 1.0 0.0 5.78 76 69 A 31 LEU H A 28 ALA HA 1.0 0.0 4.82 77 70 A 31 LEU H A 31 LEU HB3 1.0 0.0 4.26 78 71 A 31 LEU H A 31 LEU HG 1.0 0.0 4.42 79 72 A 31 LEU H A 31 LEU HB2 1.0 0.0 3.69 80 73 A 31 LEU H A 31 LEU HD1% 1.0 0.0 4.58 81 74 A 32 HIS H A 33 ILE H 1.0 0.0 3.82 82 75 A 31 LEU H A 32 HIS H 1.0 0.0 3.82 83 76 A 31 LEU HB3 A 32 HIS H 1.0 0.0 5.02 84 77 A 55 GLU HA A 56 GLN H 1.0 0.0 3.38 85 78 A 33 ILE H A 33 ILE HB 1.0 0.0 3.49 86 79 A 33 ILE H A 33 ILE HG1y 1.0 0.0 4.13 87 80 A 33 ILE H A 33 ILE HG1x 1.0 0.0 4.13 88 81 A 33 ILE H A 33 ILE HG2% 1.0 0.0 4.59 89 82 A 33 ILE H A 33 ILE HD1% 1.0 0.0 4.74 90 83 A 37 VAL H A 37 VAL HB 1.0 0.0 4.17 91 84 A 38 GLU H A 39 LYS H 1.0 0.0 4.45 92 85 A 37 VAL HB A 38 GLU H 1.0 0.0 4.42 93 86 A 37 VAL HG2% A 38 GLU H 1.0 0.0 5.38 94 87 A 40 ILE H A 41 ILE H 1.0 0.0 4.35 95 88 A 39 LYS H A 40 ILE H 1.0 0.0 4.04 96 89 A 40 ILE H A 40 ILE HB 1.0 0.0 4.15 97 90 A 40 ILE H A 40 ILE HG13 1.0 0.0 4.02 98 91 A 41 ILE H A 42 ASN H 1.0 0.0 4.65 99 92 A 41 ILE H A 38 GLU HA 1.0 0.0 4.98 100 93 A 41 ILE H A 40 ILE HB 1.0 0.0 4.38 101 94 A 41 ILE H A 41 ILE HB 1.0 0.0 3.94 102 95 A 41 ILE H A 40 ILE HG2% 1.0 0.0 4.45 103 96 A 39 LYS HA A 43 LEU H 1.0 0.0 4.78 104 97 A 43 LEU H A 42 ASN HBy 1.0 0.0 4.95 105 98 A 43 LEU H A 43 LEU HG 1.0 0.0 3.95 106 99 A 43 LEU H A 43 LEU HB2 1.0 0.0 3.73 107 100 A 43 LEU H A 43 LEU HB3 1.0 0.0 4.29 108 101 A 46 VAL H A 47 ASP H 1.0 0.0 4.03 109 102 A 47 ASP H A 48 PHE H 1.0 0.0 4.13 110 103 A 48 PHE H A 48 PHE HBy 1.0 0.0 4.33 111 104 A 48 PHE H A 48 PHE HBx 1.0 0.0 4.33 112 105 A 43 LEU HB3 A 48 PHE H 1.0 0.0 4.94 113 106 A 47 ASP H A 49 ASN H 1.0 0.0 4.89 114 107 A 49 ASN H A 48 PHE HD% 1.0 0.0 5.37 115 108 A 49 ASN H A 46 VAL HA 1.0 0.0 5.16 116 109 A 49 ASN H A 45 VAL HA 1.0 0.0 5.06 117 110 A 49 ASN H A 49 ASN HB2 1.0 0.0 3.76 118 111 A 49 ASN H A 49 ASN HB3 1.0 0.0 4.32 119 112 A 49 ASN H A 50 GLU H 1.0 0.0 4.03 120 113 A 50 GLU H A 47 ASP HA 1.0 0.0 4.43 121 114 A 49 ASN HB2 A 50 GLU H 1.0 0.0 4.15 122 115 A 49 ASN HB3 A 50 GLU H 1.0 0.0 4.46 123 116 A 50 GLU H A 50 GLU HBy 1.0 0.0 3.73 124 117 A 51 MET H A 51 MET HBy 1.0 0.0 3.52 125 118 A 51 MET H A 51 MET HBx 1.0 0.0 3.52 126 119 A 49 ASN HA A 52 MET H 1.0 0.0 4.60 127 120 A 52 MET H A 52 MET HB2 1.0 0.0 3.52 128 120 A 52 MET H A 52 MET HB3 1.0 0.0 3.52 129 121 A 52 MET H A 52 MET HG2 1.0 0.0 4.23 130 121 A 52 MET H A 52 MET HG3 1.0 0.0 4.23 131 122 A 52 MET H A 53 SER H 1.0 0.0 3.78 132 123 A 53 SER H A 54 LYS H 1.0 0.0 4.02 133 124 A 53 SER H A 53 SER HB2 1.0 0.0 3.49 134 124 A 53 SER H A 53 SER HB3 1.0 0.0 3.49 135 125 A 53 SER H A 52 MET HB2 1.0 0.0 3.96 136 125 A 52 MET HB3 A 53 SER H 1.0 0.0 3.96 137 126 A 54 LYS H A 54 LYS HGy 1.0 0.0 5.04 138 127 A 63 ALA H A 64 LEU H 1.0 0.0 3.77 139 128 A 56 GLN H A 56 GLN HG2 1.0 0.0 4.33 140 128 A 56 GLN H A 56 GLN HG3 1.0 0.0 4.33 141 129 A 56 GLN H A 56 GLN HBx 1.0 0.0 4.24 142 130 A 56 GLN H A 55 GLU HBx 1.0 0.0 4.58 143 131 A 57 PHE H A 57 PHE HD% 1.0 0.0 4.61 144 132 A 57 PHE H A 56 GLN HA 1.0 0.0 3.31 145 133 A 57 PHE H A 57 PHE HB2 1.0 0.0 3.90 146 134 A 75 LYS H A 75 LYS HBx 1.0 0.0 3.99 147 135 A 58 ASN HB2 A 58 ASN HD2y 1.0 0.0 4.13 148 136 A 57 PHE HB3 A 58 ASN H 1.0 0.0 4.63 149 137 A 57 PHE HB2 A 58 ASN H 1.0 0.0 5.06 150 138 A 58 ASN H A 61 GLN HBy 1.0 0.0 5.13 151 139 A 58 ASN HB2 A 58 ASN HD2x 1.0 0.0 4.13 152 140 A 59 GLU H A 58 ASN HB3 1.0 0.0 3.61 153 141 A 59 GLU H A 58 ASN HB2 1.0 0.0 4.17 154 142 A 59 GLU H A 59 GLU HGx 1.0 0.0 4.67 155 143 A 59 GLU H A 59 GLU HB2 1.0 0.0 3.45 156 143 A 59 GLU H A 59 GLU HB3 1.0 0.0 3.45 157 144 A 61 GLN H A 61 GLN HG3 1.0 0.0 3.98 158 145 A 61 GLN H A 61 GLN HBy 1.0 0.0 4.35 159 146 A 61 GLN H A 61 GLN HBx 1.0 0.0 4.35 160 147 A 59 GLU HA A 62 LEU H 1.0 0.0 4.58 161 148 A 57 PHE HB3 A 62 LEU H 1.0 0.0 5.01 162 149 A 62 LEU H A 61 GLN HBy 1.0 0.0 4.27 163 150 A 62 LEU H A 62 LEU HB2 1.0 0.0 3.80 164 151 A 62 LEU H A 62 LEU HG 1.0 0.0 3.96 165 152 A 62 LEU H A 61 GLN HBx 1.0 0.0 4.27 166 153 A 62 LEU H A 62 LEU HD1% 1.0 0.0 4.56 167 154 A 63 ALA H A 62 LEU H 1.0 0.0 3.77 168 155 A 63 ALA H A 60 ALA HA 1.0 0.0 4.30 169 156 A 63 ALA H A 61 GLN HA 1.0 0.0 5.50 170 157 A 63 ALA H A 62 LEU HB2 1.0 0.0 3.87 171 158 A 63 ALA H A 63 ALA HB% 1.0 0.0 3.14 172 159 A 64 LEU H A 65 ILE H 1.0 0.0 4.09 173 160 A 64 LEU H A 61 GLN HA 1.0 0.0 4.91 174 161 A 64 LEU H A 62 LEU HA 1.0 0.0 5.65 175 162 A 64 LEU H A 64 LEU HBy 1.0 0.0 3.76 176 163 A 64 LEU H A 63 ALA HB% 1.0 0.0 3.52 177 164 A 64 LEU HD1% A 64 LEU H 1.0 0.0 4.74 178 165 A 31 LEU HD1% A 64 LEU H 1.0 0.0 4.26 179 166 A 65 ILE H A 66 ARG H 1.0 0.0 3.74 180 167 A 65 ILE H A 62 LEU HA 1.0 0.0 4.76 181 168 A 68 ILE HG2% A 69 ARG H 1.0 0.0 4.46 182 169 A 66 ARG H A 66 ARG HB2 1.0 0.0 3.40 183 169 A 66 ARG H A 66 ARG HB3 1.0 0.0 3.40 184 170 A 66 ARG H A 66 ARG HGx 1.0 0.0 4.84 185 171 A 66 ARG H A 65 ILE HG2% 1.0 0.0 4.38 186 172 A 67 ASP H A 68 ILE H 1.0 0.0 3.89 187 173 A 66 ARG H A 67 ASP H 1.0 0.0 3.89 188 174 A 67 ASP H A 64 LEU HA 1.0 0.0 4.69 189 175 A 67 ASP H A 67 ASP HBy 1.0 0.0 3.70 190 176 A 67 ASP H A 66 ARG HB2 1.0 0.0 3.77 191 176 A 66 ARG HB3 A 67 ASP H 1.0 0.0 3.77 192 177 A 68 ILE H A 67 ASP HBx 1.0 0.0 4.98 193 178 A 68 ILE H A 68 ILE HG13 1.0 0.0 3.50 194 179 A 68 ILE H A 68 ILE HG12 1.0 0.0 4.09 195 180 A 68 ILE H A 68 ILE HD1% 1.0 0.0 4.26 196 181 A 69 ARG H A 68 ILE H 1.0 0.0 3.84 197 182 A 69 ARG H A 66 ARG HA 1.0 0.0 4.60 198 183 A 40 ILE HG2% A 69 ARG H 1.0 0.0 4.11 199 184 A 69 ARG H A 70 ARG H 1.0 0.0 3.86 200 185 A 70 ARG H A 67 ASP HA 1.0 0.0 4.73 201 186 A 70 ARG H A 70 ARG HB2 1.0 0.0 3.33 202 186 A 70 ARG H A 70 ARG HB3 1.0 0.0 3.33 203 187 A 70 ARG H A 69 ARG HBx 1.0 0.0 5.13 204 188 A 68 ILE HA A 71 ARG H 1.0 0.0 5.06 205 189 A 71 ARG H A 71 ARG HB2 1.0 0.0 3.56 206 189 A 71 ARG H A 71 ARG HB3 1.0 0.0 3.56 207 190 A 71 ARG H A 70 ARG HGy 1.0 0.0 5.30 208 191 A 71 ARG H A 71 ARG HGy 1.0 0.0 5.22 209 192 A 71 ARG H A 70 ARG HGx 1.0 0.0 5.30 210 193 A 72 GLY H A 71 ARG HB2 1.0 0.0 4.40 211 193 A 71 ARG HB3 A 72 GLY H 1.0 0.0 4.40 212 194 A 72 GLY H A 41 ILE HG2% 1.0 0.0 4.99 213 195 A 72 GLY H A 41 ILE HD1% 1.0 0.0 5.59 214 196 A 73 LYS H A 74 ASN H 1.0 0.0 3.84 215 197 A 73 LYS H A 73 LYS HBx 1.0 0.0 3.99 216 198 A 73 LYS H A 73 LYS HGy 1.0 0.0 4.62 217 199 A 41 ILE HG2% A 73 LYS H 1.0 0.0 4.84 218 200 A 74 ASN H A 73 LYS HA 1.0 0.0 3.66 219 201 A 74 ASN H A 74 ASN HBx 1.0 0.0 4.36 220 202 A 75 LYS H A 74 ASN HA 1.0 0.0 3.62 221 203 A 75 LYS H A 75 LYS HGy 1.0 0.0 4.67 222 204 A 76 VAL H A 77 ALA H 1.0 0.0 3.79 223 205 A 76 VAL H A 75 LYS HA 1.0 0.0 3.43 224 206 A 76 VAL H A 76 VAL HB 1.0 0.0 3.75 225 207 A 76 VAL H A 77 ALA HB% 1.0 0.0 5.78 226 208 A 76 VAL H A 76 VAL HG1% 1.0 0.0 3.70 227 208 A 76 VAL H A 76 VAL HG2% 1.0 0.0 3.70 228 209 A 77 ALA H A 76 VAL HA 1.0 0.0 3.61 229 210 A 77 ALA H A 76 VAL HB 1.0 0.0 4.29 230 211 A 77 ALA H A 77 ALA HB% 1.0 0.0 3.52 231 212 A 77 ALA HA A 78 ALA H 1.0 0.0 3.36 232 213 A 77 ALA HB% A 78 ALA H 1.0 0.0 3.71 233 214 A 78 ALA H A 78 ALA HB% 1.0 0.0 3.85 234 215 A 78 ALA HA A 79 GLN H 1.0 0.0 3.50 235 216 A 79 GLN H A 79 GLN HG2 1.0 0.0 4.60 236 216 A 79 GLN H A 79 GLN HG3 1.0 0.0 4.60 237 217 A 79 GLN HA A 80 ASN H 1.0 0.0 3.68 238 218 A 80 ASN H A 79 GLN HBx 1.0 0.0 5.29 239 219 A 81 CYS H A 81 CYS HB2 1.0 0.0 4.19 240 219 A 81 CYS H A 81 CYS HB3 1.0 0.0 4.19 241 220 A 81 CYS H A 80 ASN HBx 1.0 0.0 5.78 242 221 A 81 CYS H A 80 ASN HBy 1.0 0.0 5.78 243 222 A 84 ARG HA A 85 LYS H 1.0 0.0 3.44 244 223 A 82 ARG H A 81 CYS HB2 1.0 0.0 4.81 245 223 A 81 CYS HB3 A 82 ARG H 1.0 0.0 4.81 246 224 A 82 ARG H A 82 ARG HG2 1.0 0.0 4.82 247 224 A 82 ARG H A 82 ARG HG3 1.0 0.0 4.82 248 225 A 85 LYS H A 84 ARG HG2 1.0 0.0 5.29 249 225 A 85 LYS H A 84 ARG HG3 1.0 0.0 5.29 250 226 A 82 ARG HA A 83 LYS H 1.0 0.0 3.50 251 227 A 83 LYS HA A 84 ARG H 1.0 0.0 3.41 252 228 A 84 ARG H A 84 ARG HG2 1.0 0.0 4.53 253 228 A 84 ARG HG3 A 84 ARG H 1.0 0.0 4.53 254 229 A 85 LYS HA A 86 LEU H 1.0 0.0 3.40 255 230 A 86 LEU H A 86 LEU HB2 1.0 0.0 3.80 256 230 A 86 LEU H A 86 LEU HB3 1.0 0.0 3.80 257 231 A 86 LEU HA A 87 GLU H 1.0 0.0 3.50 258 232 A 87 GLU H A 87 GLU HG2 1.0 0.0 4.60 259 232 A 87 GLU H A 87 GLU HG3 1.0 0.0 4.60 260 233 A 22 THR H A 21 LEU HD2% 1.0 0.0 4.55 261 234 A 22 THR H A 21 LEU HBx 1.0 0.0 4.60 262 235 A 23 ARG H A 23 ARG HGy 1.0 0.0 5.20 263 236 A 22 THR HB A 25 GLU H 1.0 0.0 5.31 264 237 A 31 LEU HD2% A 32 HIS H 1.0 0.0 5.78 265 238 A 32 HIS H A 33 ILE HD1% 1.0 0.0 5.59 266 239 A 30 ALA HB% A 32 HIS H 1.0 0.0 5.22 267 240 A 56 GLN H A 56 GLN HBy 1.0 0.0 4.24 268 241 A 61 GLN H A 31 LEU HD2% 1.0 0.0 5.21 269 242 A 62 LEU HD2% A 66 ARG HE 1.0 0.0 5.09 270 243 A 71 ARG H A 70 ARG HB2 1.0 0.0 3.84 271 243 A 70 ARG HB3 A 71 ARG H 1.0 0.0 3.84 272 244 A 56 GLN H A 55 GLU H 1.0 0.0 4.74 273 245 A 61 GLN H A 61 GLN HG2 1.0 0.0 5.07 274 246 A 73 LYS H A 73 LYS HGx 1.0 0.0 4.62 275 247 A 40 ILE H A 40 ILE HG12 1.0 0.0 4.73 276 248 A 57 PHE H A 62 LEU HD2% 1.0 0.0 5.15 277 249 A 64 LEU H A 64 LEU HBx 1.0 0.0 3.76 278 250 A 66 ARG HE A 66 ARG HB2 1.0 0.0 5.45 279 250 A 66 ARG HB3 A 66 ARG HE 1.0 0.0 5.45 280 251 A 32 HIS H A 29 LYS HA 1.0 0.0 4.60 281 252 A 40 ILE H A 39 LYS HBy 1.0 0.0 5.04 282 253 A 65 ILE H A 64 LEU HBx 1.0 0.0 5.19 283 254 A 75 LYS H A 75 LYS HGx 1.0 0.0 4.67 284 255 A 87 GLU H A 86 LEU HB2 1.0 0.0 5.20 285 255 A 86 LEU HB3 A 87 GLU H 1.0 0.0 5.20 286 256 A 58 ASN H A 61 GLN HBx 1.0 0.0 5.13 287 257 A 66 ARG H A 65 ILE HB 1.0 0.0 3.70 288 258 A 75 LYS H A 75 LYS HBy 1.0 0.0 3.99 289 259 A 50 GLU H A 50 GLU HBx 1.0 0.0 3.73 290 260 A 57 PHE HD% A 58 ASN H 1.0 0.0 5.40 291 261 A 67 ASP H A 67 ASP HBx 1.0 0.0 3.70 292 262 A 28 ALA HA A 33 ILE H 1.0 0.0 5.01 293 263 A 50 GLU H A 50 GLU HGy 1.0 0.0 4.81 294 264 A 66 ARG H A 63 ALA HA 1.0 0.0 4.97 295 265 A 80 ASN H A 79 GLN HBy 1.0 0.0 5.29 296 266 A 21 LEU H A 21 LEU HBx 1.0 0.0 4.20 297 267 A 50 GLU H A 50 GLU HGx 1.0 0.0 4.81 298 268 A 56 GLN H A 55 GLU HBy 1.0 0.0 4.58 299 269 A 60 ALA H A 59 GLU HGx 1.0 0.0 5.78 300 270 A 60 ALA H A 59 GLU HGy 1.0 0.0 5.78 301 271 A 66 ARG HA A 70 ARG H 1.0 0.0 5.32 302 272 A 11 MET HA A 12 LYS H 1.0 0.0 3.72 303 273 A 16 ARG HA A 16 ARG HG2 1.0 0.0 3.90 304 273 A 16 ARG HG3 A 16 ARG HA 1.0 0.0 3.90 305 274 A 84 ARG HA A 84 ARG HG2 1.0 0.0 4.45 306 274 A 84 ARG HA A 84 ARG HG3 1.0 0.0 4.45 307 275 A 17 LEU H A 16 ARG HG2 1.0 0.0 5.07 308 275 A 16 ARG HG3 A 17 LEU H 1.0 0.0 5.07 309 276 A 17 LEU H A 17 LEU HG 1.0 0.0 5.60 310 277 A 16 ARG HA A 16 ARG HD2 1.0 0.0 4.90 311 277 A 16 ARG HA A 16 ARG HD3 1.0 0.0 4.90 312 278 A 82 ARG HA A 82 ARG HD2 1.0 0.0 5.66 313 278 A 82 ARG HA A 82 ARG HD3 1.0 0.0 5.66 314 279 A 84 ARG HA A 84 ARG HD2 1.0 0.0 5.50 315 279 A 84 ARG HA A 84 ARG HD3 1.0 0.0 5.50 316 280 A 23 ARG HA A 23 ARG HD2 1.0 0.0 4.26 317 280 A 23 ARG HA A 23 ARG HD3 1.0 0.0 4.26 318 281 A 71 ARG HB3 A 71 ARG HD2 1.0 0.0 3.49 319 281 A 71 ARG HB2 A 71 ARG HD2 1.0 0.0 3.49 320 281 A 71 ARG HD3 A 71 ARG HB2 1.0 0.0 3.49 321 281 A 71 ARG HB3 A 71 ARG HD3 1.0 0.0 3.49 322 282 A 17 LEU HD1% A 17 LEU HB2 1.0 0.0 3.92 323 282 A 17 LEU HB3 A 17 LEU HD1% 1.0 0.0 3.92 324 283 A 17 LEU HD2% A 17 LEU HB2 1.0 0.0 4.40 325 283 A 17 LEU HB3 A 17 LEU HD2% 1.0 0.0 4.40 326 284 A 17 LEU HA A 17 LEU HD1% 1.0 0.0 4.34 327 285 A 21 LEU HD2% A 21 LEU HA 1.0 0.0 3.34 328 286 A 31 LEU HD2% A 31 LEU HA 1.0 0.0 3.23 329 287 A 22 THR H A 25 GLU HB3 1.0 0.0 4.84 330 288 A 26 LEU H A 25 GLU HB3 1.0 0.0 4.80 331 289 A 67 ASP HA A 66 ARG HB2 1.0 0.0 4.30 332 289 A 66 ARG HB3 A 67 ASP HA 1.0 0.0 4.30 333 290 A 21 LEU H A 20 HIS HBx 1.0 0.0 5.01 334 291 A 21 LEU H A 21 LEU HD1% 1.0 0.0 4.76 335 292 A 57 PHE H A 62 LEU HD1% 1.0 0.0 5.13 336 293 A 26 LEU HD1% A 23 ARG HA 1.0 0.0 3.55 337 294 A 59 GLU HA A 62 LEU HD1% 1.0 0.0 3.94 338 295 A 62 LEU HB2 A 62 LEU HD1% 1.0 0.0 3.50 339 296 A 21 LEU HD1% A 21 LEU HBy 1.0 0.0 3.61 340 297 A 26 LEU HG A 26 LEU HA 1.0 0.0 4.03 341 298 A 22 THR H A 21 LEU HA 1.0 0.0 3.27 342 299 A 21 LEU HD2% A 25 GLU HA 1.0 0.0 5.78 343 300 A 22 THR H A 22 THR HG2% 1.0 0.0 3.48 344 301 A 22 THR HG2% A 22 THR HA 1.0 0.0 3.51 345 302 A 23 ARG H A 22 THR HA 1.0 0.0 3.29 346 303 A 27 ARG HA A 30 ALA HB% 1.0 0.0 3.61 347 304 A 37 VAL HG2% A 24 ASP HBy 1.0 0.0 5.68 348 305 A 37 VAL HG2% A 24 ASP HBx 1.0 0.0 5.68 349 306 A 25 GLU H A 25 GLU HG2 1.0 0.0 4.45 350 306 A 25 GLU H A 25 GLU HG3 1.0 0.0 4.45 351 307 A 25 GLU HA A 25 GLU HG2 1.0 0.0 3.85 352 307 A 25 GLU HA A 25 GLU HG3 1.0 0.0 3.85 353 308 A 59 GLU HA A 62 LEU HB2 1.0 0.0 3.96 354 309 A 26 LEU H A 26 LEU HD2% 1.0 0.0 4.57 355 310 A 26 LEU HD2% A 26 LEU HA 1.0 0.0 3.19 356 311 A 26 LEU HD2% A 26 LEU HBy 1.0 0.0 4.00 357 312 A 27 ARG HA A 27 ARG HGx 1.0 0.0 4.46 358 313 A 67 ASP HA A 70 ARG HB2 1.0 0.0 4.30 359 313 A 67 ASP HA A 70 ARG HB3 1.0 0.0 4.30 360 314 A 27 ARG H A 27 ARG HGy 1.0 0.0 4.33 361 315 A 27 ARG HA A 27 ARG HGy 1.0 0.0 4.46 362 316 A 28 ALA H A 28 ALA HB% 1.0 0.0 3.40 363 317 A 25 GLU HA A 28 ALA HB% 1.0 0.0 3.76 364 318 A 28 ALA HB% A 33 ILE HB 1.0 0.0 3.55 365 319 A 37 VAL HG2% A 28 ALA HB% 1.0 0.0 3.38 366 320 A 64 LEU HD2% A 28 ALA HB% 1.0 0.0 3.30 367 321 A 64 LEU HD2% A 28 ALA HA 1.0 0.0 3.78 368 322 A 33 ILE H A 29 LYS HA 1.0 0.0 4.12 369 323 A 29 LYS HA A 29 LYS HGy 1.0 0.0 4.29 370 324 A 29 LYS HA A 29 LYS HGx 1.0 0.0 4.29 371 325 A 54 LYS HA A 54 LYS HGx 1.0 0.0 4.46 372 326 A 54 LYS HA A 54 LYS HD2 1.0 0.0 4.75 373 326 A 54 LYS HA A 54 LYS HD3 1.0 0.0 4.75 374 327 A 75 LYS HA A 75 LYS HD2 1.0 0.0 5.44 375 327 A 75 LYS HA A 75 LYS HD3 1.0 0.0 5.44 376 328 A 85 LYS HA A 85 LYS HD2 1.0 0.0 5.32 377 328 A 85 LYS HA A 85 LYS HD3 1.0 0.0 5.32 378 329 A 43 LEU HD1% A 39 LYS HD2 1.0 0.0 3.76 379 329 A 39 LYS HD3 A 43 LEU HD1% 1.0 0.0 3.76 380 330 A 54 LYS HA A 54 LYS HGy 1.0 0.0 4.46 381 331 A 61 GLN H A 60 ALA HB% 1.0 0.0 3.89 382 332 A 31 LEU H A 30 ALA HB% 1.0 0.0 3.80 383 333 A 60 ALA HA A 63 ALA HB% 1.0 0.0 3.50 384 334 A 60 ALA HB% A 31 LEU HD2% 1.0 0.0 3.22 385 335 A 31 LEU HG A 31 LEU HA 1.0 0.0 4.33 386 336 A 31 LEU HD1% A 31 LEU HB3 1.0 0.0 4.25 387 337 A 33 ILE HG2% A 35 PHE H 1.0 0.0 3.84 388 338 A 33 ILE HG2% A 33 ILE HA 1.0 0.0 3.76 389 339 A 33 ILE HG2% A 34 PRO HD2 1.0 0.0 4.00 390 340 A 33 ILE HG2% A 33 ILE HG1x 1.0 0.0 4.32 391 341 A 33 ILE HG2% A 33 ILE HG1y 1.0 0.0 4.32 392 342 A 28 ALA HA A 33 ILE HG1x 1.0 0.0 4.81 393 343 A 39 LYS HA A 43 LEU HG 1.0 0.0 4.57 394 344 A 33 ILE HD1% A 65 ILE H 1.0 0.0 4.99 395 345 A 33 ILE HD1% A 57 PHE HD% 1.0 0.0 5.78 396 346 A 33 ILE HD1% A 33 ILE HA 1.0 0.0 4.06 397 347 A 28 ALA HA A 33 ILE HD1% 1.0 0.0 4.44 398 348 A 33 ILE HD1% A 61 GLN HA 1.0 0.0 4.68 399 349 A 33 ILE HD1% A 61 GLN HG2 1.0 0.0 4.54 400 350 A 46 VAL H A 46 VAL HB 1.0 0.0 3.63 401 351 A 47 ASP H A 46 VAL HB 1.0 0.0 4.39 402 352 A 57 PHE HD% A 34 PRO HD2 1.0 0.0 4.80 403 353 A 35 PHE HA A 36 PRO HDy 1.0 0.0 3.86 404 354 A 35 PHE HB3 A 36 PRO HDy 1.0 0.0 4.57 405 355 A 35 PHE HB3 A 36 PRO HDx 1.0 0.0 4.57 406 356 A 35 PHE HB2 A 36 PRO HDx 1.0 0.0 4.92 407 357 A 33 ILE HG2% A 35 PHE HB2 1.0 0.0 4.90 408 358 A 35 PHE HA A 36 PRO HG2 1.0 0.0 4.71 409 358 A 35 PHE HA A 36 PRO HG3 1.0 0.0 4.71 410 359 A 39 LYS H A 36 PRO HBx 1.0 0.0 5.02 411 360 A 37 VAL HG2% A 37 VAL H 1.0 0.0 3.57 412 361 A 25 GLU H A 37 VAL HG2% 1.0 0.0 4.82 413 362 A 64 LEU HD1% A 64 LEU HA 1.0 0.0 3.31 414 363 A 37 VAL HG2% A 25 GLU HA 1.0 0.0 3.59 415 364 A 37 VAL HG2% A 37 VAL HA 1.0 0.0 3.68 416 365 A 37 VAL HG2% A 25 GLU HG2 1.0 0.0 3.82 417 365 A 37 VAL HG2% A 25 GLU HG3 1.0 0.0 3.82 418 366 A 45 VAL H A 45 VAL HB 1.0 0.0 3.75 419 367 A 46 VAL H A 45 VAL HB 1.0 0.0 4.18 420 368 A 37 VAL HB A 41 ILE HD1% 1.0 0.0 4.64 421 369 A 40 ILE HB A 37 VAL HA 1.0 0.0 4.47 422 370 A 41 ILE HD1% A 37 VAL HA 1.0 0.0 5.13 423 371 A 68 ILE HG2% A 37 VAL HA 1.0 0.0 5.38 424 372 A 37 VAL H A 37 VAL HG1% 1.0 0.0 4.56 425 373 A 38 GLU H A 37 VAL HG1% 1.0 0.0 4.92 426 374 A 37 VAL HA A 37 VAL HG1% 1.0 0.0 3.79 427 375 A 37 VAL HG1% A 24 ASP HBx 1.0 0.0 5.06 428 376 A 28 ALA HB% A 37 VAL HG1% 1.0 0.0 4.35 429 377 A 38 GLU H A 38 GLU HBx 1.0 0.0 4.21 430 378 A 38 GLU H A 38 GLU HG2 1.0 0.0 4.37 431 378 A 38 GLU H A 38 GLU HG3 1.0 0.0 4.37 432 379 A 38 GLU HA A 38 GLU HG2 1.0 0.0 4.06 433 379 A 38 GLU HA A 38 GLU HG3 1.0 0.0 4.06 434 380 A 38 GLU H A 38 GLU HBy 1.0 0.0 4.21 435 381 A 38 GLU HA A 41 ILE HB 1.0 0.0 4.47 436 382 A 40 ILE H A 40 ILE HG2% 1.0 0.0 4.89 437 383 A 40 ILE HG2% A 48 PHE HE% 1.0 0.0 4.30 438 384 A 40 ILE HG2% A 40 ILE HA 1.0 0.0 3.73 439 385 A 40 ILE HG13 A 40 ILE HG2% 1.0 0.0 3.93 440 386 A 40 ILE HG12 A 35 PHE HD% 1.0 0.0 5.62 441 387 A 68 ILE HG2% A 68 ILE HG12 1.0 0.0 4.32 442 388 A 48 PHE HE% A 40 ILE HA 1.0 0.0 4.79 443 389 A 40 ILE HG13 A 40 ILE HA 1.0 0.0 4.03 444 390 A 40 ILE H A 40 ILE HD1% 1.0 0.0 4.42 445 391 A 37 VAL HA A 40 ILE HD1% 1.0 0.0 4.22 446 392 A 40 ILE HA A 40 ILE HD1% 1.0 0.0 4.81 447 393 A 40 ILE HD1% A 65 ILE HA 1.0 0.0 4.77 448 394 A 35 PHE HB2 A 40 ILE HD1% 1.0 0.0 4.30 449 395 A 40 ILE HB A 40 ILE HD1% 1.0 0.0 3.77 450 396 A 41 ILE H A 41 ILE HG2% 1.0 0.0 4.50 451 397 A 41 ILE HG2% A 72 GLY HAy 1.0 0.0 4.32 452 398 A 41 ILE HG2% A 72 GLY HAx 1.0 0.0 4.32 453 399 A 41 ILE HG2% A 41 ILE HA 1.0 0.0 3.79 454 400 A 33 ILE HG2% A 65 ILE HD1% 1.0 0.0 4.00 455 401 A 42 ASN H A 41 ILE HB 1.0 0.0 4.44 456 402 A 41 ILE H A 41 ILE HD1% 1.0 0.0 4.77 457 403 A 38 GLU HA A 41 ILE HD1% 1.0 0.0 4.00 458 404 A 41 ILE HD1% A 41 ILE HA 1.0 0.0 4.88 459 405 A 68 ILE HD1% A 68 ILE HA 1.0 0.0 5.22 460 406 A 68 ILE HD1% A 65 ILE HA 1.0 0.0 4.27 461 407 A 68 ILE HD1% A 68 ILE HB 1.0 0.0 3.64 462 408 A 41 ILE HB A 41 ILE HD1% 1.0 0.0 3.55 463 409 A 28 ALA HB% A 68 ILE HD1% 1.0 0.0 4.29 464 410 A 43 LEU H A 42 ASN HBx 1.0 0.0 4.95 465 411 A 43 LEU H A 43 LEU HD1% 1.0 0.0 4.48 466 412 A 43 LEU HD1% A 43 LEU HA 1.0 0.0 4.46 467 413 A 39 LYS HA A 43 LEU HD1% 1.0 0.0 4.53 468 414 A 43 LEU HD1% A 48 PHE HA 1.0 0.0 4.12 469 415 A 43 LEU HB2 A 43 LEU HD1% 1.0 0.0 3.66 470 416 A 43 LEU HA A 44 PRO HDy 1.0 0.0 3.63 471 417 A 43 LEU H A 43 LEU HD2% 1.0 0.0 4.53 472 418 A 47 ASP H A 43 LEU HD2% 1.0 0.0 5.69 473 419 A 48 PHE HD% A 43 LEU HD2% 1.0 0.0 5.78 474 420 A 43 LEU HA A 43 LEU HD2% 1.0 0.0 3.41 475 421 A 43 LEU HD2% A 44 PRO HDy 1.0 0.0 4.32 476 422 A 62 LEU HA A 62 LEU HD2% 1.0 0.0 3.40 477 423 A 43 LEU HD2% A 47 ASP HBy 1.0 0.0 4.02 478 424 A 57 PHE HB2 A 62 LEU HD2% 1.0 0.0 4.22 479 425 A 43 LEU HD2% A 47 ASP HBx 1.0 0.0 4.02 480 426 A 62 LEU HB2 A 62 LEU HD2% 1.0 0.0 3.45 481 427 A 43 LEU HB3 A 43 LEU HD2% 1.0 0.0 3.78 482 428 A 62 LEU HD2% A 62 LEU HB3 1.0 0.0 3.97 483 429 A 62 LEU HD2% A 65 ILE HD1% 1.0 0.0 4.02 484 430 A 45 VAL H A 44 PRO HA 1.0 0.0 3.28 485 431 A 45 VAL H A 45 VAL HG2% 1.0 0.0 3.58 486 432 A 46 VAL H A 45 VAL HG2% 1.0 0.0 5.49 487 433 A 48 PHE HD% A 45 VAL HG2% 1.0 0.0 5.02 488 434 A 45 VAL HG2% A 69 ARG HE 1.0 0.0 5.74 489 435 A 45 VAL HG2% A 69 ARG HH1% 1.0 0.0 4.79 490 436 A 45 VAL HG2% A 69 ARG HH2% 1.0 0.0 5.43 491 437 A 45 VAL HA A 45 VAL HG2% 1.0 0.0 3.62 492 438 A 37 VAL HB A 25 GLU HG2 1.0 0.0 4.37 493 438 A 37 VAL HB A 25 GLU HG3 1.0 0.0 4.37 494 439 A 45 VAL HA A 48 PHE HBy 1.0 0.0 4.59 495 440 A 45 VAL HA A 48 PHE HBx 1.0 0.0 4.59 496 441 A 45 VAL H A 45 VAL HG1% 1.0 0.0 4.13 497 442 A 46 VAL H A 45 VAL HG1% 1.0 0.0 3.98 498 443 A 45 VAL HG1% A 49 ASN HD2y 1.0 0.0 4.23 499 444 A 45 VAL HG1% A 49 ASN HD2x 1.0 0.0 4.23 500 445 A 46 VAL HA A 45 VAL HG1% 1.0 0.0 4.64 501 446 A 45 VAL HA A 45 VAL HG1% 1.0 0.0 3.74 502 447 A 46 VAL H A 46 VAL HG2% 1.0 0.0 3.45 503 448 A 47 ASP H A 46 VAL HG2% 1.0 0.0 4.50 504 449 A 46 VAL HA A 46 VAL HG2% 1.0 0.0 3.46 505 450 A 46 VAL HA A 49 ASN HB2 1.0 0.0 4.32 506 451 A 46 VAL H A 46 VAL HG1% 1.0 0.0 3.97 507 452 A 47 ASP H A 46 VAL HG1% 1.0 0.0 4.22 508 453 A 47 ASP HA A 46 VAL HG1% 1.0 0.0 4.69 509 454 A 46 VAL HA A 46 VAL HG1% 1.0 0.0 3.74 510 455 A 49 ASN HA A 52 MET HB2 1.0 0.0 4.01 511 455 A 49 ASN HA A 52 MET HB3 1.0 0.0 4.01 512 456 A 47 ASP HA A 50 GLU HBy 1.0 0.0 4.78 513 457 A 47 ASP HA A 50 GLU HBx 1.0 0.0 4.78 514 458 A 51 MET HA A 51 MET HGx 1.0 0.0 4.39 515 459 A 51 MET HA A 51 MET HGy 1.0 0.0 4.39 516 460 A 83 LYS HA A 83 LYS HG2 1.0 0.0 4.04 517 460 A 83 LYS HA A 83 LYS HG3 1.0 0.0 4.04 518 461 A 85 LYS HA A 85 LYS HG2 1.0 0.0 3.99 519 461 A 85 LYS HA A 85 LYS HG3 1.0 0.0 3.99 520 462 A 55 GLU H A 55 GLU HGx 1.0 0.0 4.76 521 463 A 55 GLU H A 55 GLU HGy 1.0 0.0 4.76 522 464 A 56 GLN HA A 56 GLN HG2 1.0 0.0 3.92 523 464 A 56 GLN HG3 A 56 GLN HA 1.0 0.0 3.92 524 465 A 57 PHE H A 56 GLN HG2 1.0 0.0 5.01 525 465 A 56 GLN HG3 A 57 PHE H 1.0 0.0 5.01 526 466 A 57 PHE HB3 A 62 LEU HG 1.0 0.0 4.78 527 467 A 57 PHE HB3 A 62 LEU HD1% 1.0 0.0 5.44 528 468 A 57 PHE HB2 A 62 LEU HD1% 1.0 0.0 5.38 529 469 A 59 GLU H A 59 GLU HGy 1.0 0.0 4.67 530 470 A 63 ALA HB% A 66 ARG H 1.0 0.0 5.29 531 471 A 61 GLN HA A 61 GLN HG2 1.0 0.0 4.40 532 472 A 31 LEU HD1% A 61 GLN HA 1.0 0.0 4.11 533 473 A 31 LEU HD2% A 61 GLN HA 1.0 0.0 4.49 534 474 A 62 LEU H A 62 LEU HB3 1.0 0.0 4.29 535 475 A 63 ALA H A 62 LEU HB3 1.0 0.0 4.83 536 476 A 59 GLU HA A 62 LEU HB3 1.0 0.0 5.27 537 477 A 63 ALA HA A 62 LEU HB3 1.0 0.0 5.55 538 478 A 62 LEU HA A 65 ILE HB 1.0 0.0 3.95 539 479 A 48 PHE HA A 43 LEU HD2% 1.0 0.0 5.63 540 480 A 59 GLU HA A 62 LEU HD2% 1.0 0.0 5.78 541 481 A 57 PHE HB3 A 62 LEU HD2% 1.0 0.0 4.42 542 482 A 63 ALA HA A 66 ARG HB2 1.0 0.0 4.84 543 482 A 66 ARG HB3 A 63 ALA HA 1.0 0.0 4.84 544 483 A 31 LEU HD1% A 64 LEU HBy 1.0 0.0 4.36 545 484 A 68 ILE HG13 A 64 LEU HG 1.0 0.0 4.64 546 485 A 31 LEU HD1% A 64 LEU HBx 1.0 0.0 4.36 547 486 A 64 LEU HD1% A 67 ASP HBx 1.0 0.0 5.15 548 487 A 65 ILE H A 64 LEU HBy 1.0 0.0 5.19 549 488 A 65 ILE H A 65 ILE HG2% 1.0 0.0 4.79 550 489 A 69 ARG H A 65 ILE HG2% 1.0 0.0 5.23 551 490 A 65 ILE HG2% A 48 PHE HZ 1.0 0.0 3.71 552 491 A 65 ILE HG2% A 66 ARG HA 1.0 0.0 4.70 553 492 A 65 ILE HG2% A 65 ILE HA 1.0 0.0 3.85 554 493 A 40 ILE HG2% A 65 ILE HG2% 1.0 0.0 3.37 555 494 A 65 ILE HG2% A 65 ILE HD1% 1.0 0.0 3.45 556 495 A 68 ILE H A 68 ILE HB 1.0 0.0 4.14 557 496 A 65 ILE H A 65 ILE HB 1.0 0.0 4.03 558 497 A 69 ARG H A 68 ILE HB 1.0 0.0 4.36 559 498 A 68 ILE H A 65 ILE HA 1.0 0.0 4.86 560 499 A 65 ILE HA A 68 ILE HB 1.0 0.0 4.84 561 500 A 40 ILE HG2% A 65 ILE HA 1.0 0.0 4.48 562 501 A 65 ILE H A 65 ILE HD1% 1.0 0.0 4.57 563 502 A 62 LEU HA A 65 ILE HD1% 1.0 0.0 4.16 564 503 A 65 ILE HA A 65 ILE HD1% 1.0 0.0 4.84 565 504 A 65 ILE HB A 65 ILE HD1% 1.0 0.0 3.80 566 505 A 65 ILE HD1% A 62 LEU HB3 1.0 0.0 5.48 567 506 A 68 ILE H A 67 ASP HBy 1.0 0.0 4.98 568 507 A 64 LEU HA A 67 ASP HBy 1.0 0.0 4.43 569 508 A 64 LEU HD1% A 67 ASP HBy 1.0 0.0 5.15 570 509 A 40 ILE HG2% A 69 ARG HA 1.0 0.0 4.20 571 510 A 70 ARG H A 69 ARG HBy 1.0 0.0 5.13 572 511 A 74 ASN H A 74 ASN HBy 1.0 0.0 4.36 573 512 A 75 LYS H A 74 ASN HBy 1.0 0.0 5.25 574 513 A 75 LYS H A 74 ASN HBx 1.0 0.0 5.25 575 514 A 76 VAL HA A 76 VAL HG1% 1.0 0.0 3.55 576 514 A 76 VAL HG2% A 76 VAL HA 1.0 0.0 3.55 577 515 A 77 ALA H A 76 VAL HG1% 1.0 0.0 4.43 578 515 A 77 ALA H A 76 VAL HG2% 1.0 0.0 4.43 579 516 A 75 LYS HA A 76 VAL HG1% 1.0 0.0 4.60 580 516 A 75 LYS HA A 76 VAL HG2% 1.0 0.0 4.60 581 517 A 77 ALA HA A 76 VAL HG1% 1.0 0.0 5.28 582 517 A 76 VAL HG2% A 77 ALA HA 1.0 0.0 5.28 583 518 A 78 ALA HB% A 79 GLN H 1.0 0.0 4.03 584 519 A 17 LEU HD2% A 17 LEU HA 1.0 0.0 4.80 585 520 A 18 GLU HA A 18 GLU HG2 1.0 0.0 4.11 586 520 A 18 GLU HG3 A 18 GLU HA 1.0 0.0 4.11 587 521 A 31 LEU HD2% A 31 LEU HB3 1.0 0.0 3.63 588 522 A 21 LEU HD2% A 25 GLU HB3 1.0 0.0 4.29 589 523 A 21 LEU HD2% A 25 GLU HB2 1.0 0.0 4.86 590 524 A 21 LEU HD2% A 25 GLU HG2 1.0 0.0 5.01 591 524 A 21 LEU HD2% A 25 GLU HG3 1.0 0.0 5.01 592 525 A 31 LEU HD2% A 61 GLN HG3 1.0 0.0 4.41 593 526 A 31 LEU HD2% A 31 LEU H 1.0 0.0 4.97 594 527 A 31 LEU HD2% A 64 LEU H 1.0 0.0 5.46 595 528 A 62 LEU HD1% A 62 LEU HB3 1.0 0.0 3.84 596 529 A 21 LEU HD1% A 21 LEU HBx 1.0 0.0 3.61 597 530 A 26 LEU HD1% A 26 LEU HBx 1.0 0.0 3.99 598 531 A 26 LEU HD1% A 26 LEU HBy 1.0 0.0 3.99 599 532 A 25 GLU HB2 A 21 LEU HD1% 1.0 0.0 5.78 600 533 A 25 GLU HB2 A 26 LEU HD1% 1.0 0.0 5.78 601 534 A 21 LEU HD1% A 25 GLU HG2 1.0 0.0 5.78 602 534 A 21 LEU HD1% A 25 GLU HG3 1.0 0.0 5.78 603 535 A 21 LEU HA A 21 LEU HD1% 1.0 0.0 4.75 604 536 A 23 ARG H A 26 LEU HD1% 1.0 0.0 5.28 605 537 A 59 GLU H A 62 LEU HD1% 1.0 0.0 5.62 606 538 A 25 GLU HB2 A 22 THR HG2% 1.0 0.0 4.90 607 539 A 26 LEU HD1% A 23 ARG HD2 1.0 0.0 4.62 608 539 A 26 LEU HD1% A 23 ARG HD3 1.0 0.0 4.62 609 540 A 21 LEU H A 25 GLU HB3 1.0 0.0 5.78 610 541 A 26 LEU HD2% A 26 LEU HBx 1.0 0.0 4.00 611 542 A 57 PHE HD% A 62 LEU HD1% 1.0 0.0 4.82 612 543 A 40 ILE H A 39 LYS HD2 1.0 0.0 5.60 613 543 A 40 ILE H A 39 LYS HD3 1.0 0.0 5.60 614 544 A 54 LYS H A 54 LYS HD2 1.0 0.0 5.78 615 544 A 54 LYS H A 54 LYS HD3 1.0 0.0 5.78 616 545 A 71 ARG H A 71 ARG HGx 1.0 0.0 5.22 617 546 A 31 LEU HD1% A 31 LEU HB2 1.0 0.0 3.87 618 547 A 31 LEU HD1% A 31 LEU HA 1.0 0.0 4.91 619 548 A 28 ALA HB% A 33 ILE HG2% 1.0 0.0 4.50 620 549 A 33 ILE HG2% A 34 PRO HD3 1.0 0.0 4.62 621 550 A 33 ILE HG2% A 57 PHE HD% 1.0 0.0 5.78 622 551 A 33 ILE HD1% A 65 ILE HD1% 1.0 0.0 3.97 623 552 A 28 ALA HB% A 33 ILE HD1% 1.0 0.0 4.37 624 553 A 33 ILE HB A 33 ILE HD1% 1.0 0.0 4.06 625 554 A 33 ILE HD1% A 61 GLN HG3 1.0 0.0 4.90 626 555 A 33 ILE HA A 34 PRO HD2 1.0 0.0 3.95 627 556 A 35 PHE HA A 36 PRO HDx 1.0 0.0 3.86 628 557 A 40 ILE HG13 A 35 PHE HB2 1.0 0.0 4.92 629 558 A 35 PHE HB2 A 36 PRO HDy 1.0 0.0 4.92 630 559 A 33 ILE HG2% A 35 PHE HB3 1.0 0.0 4.77 631 560 A 35 PHE HB3 A 40 ILE HD1% 1.0 0.0 4.94 632 561 A 39 LYS H A 36 PRO HBy 1.0 0.0 5.02 633 562 A 39 LYS H A 36 PRO HG2 1.0 0.0 5.00 634 562 A 39 LYS H A 36 PRO HG3 1.0 0.0 5.00 635 563 A 37 VAL HG1% A 25 GLU HG2 1.0 0.0 4.88 636 563 A 25 GLU HG3 A 37 VAL HG1% 1.0 0.0 4.88 637 564 A 25 GLU HA A 37 VAL HG1% 1.0 0.0 5.57 638 565 A 38 GLU HA A 37 VAL HG1% 1.0 0.0 5.76 639 566 A 39 LYS H A 38 GLU HG2 1.0 0.0 4.89 640 566 A 39 LYS H A 38 GLU HG3 1.0 0.0 4.89 641 567 A 40 ILE H A 39 LYS HBx 1.0 0.0 5.04 642 568 A 48 PHE HD% A 40 ILE HA 1.0 0.0 5.10 643 569 A 40 ILE HG2% A 48 PHE HD% 1.0 0.0 4.96 644 570 A 40 ILE HG2% A 48 PHE HZ 1.0 0.0 5.33 645 571 A 40 ILE HD1% A 65 ILE HD1% 1.0 0.0 4.63 646 572 A 41 ILE HG2% A 42 ASN HA 1.0 0.0 4.78 647 573 A 42 ASN H A 41 ILE HG2% 1.0 0.0 5.02 648 574 A 40 ILE HB A 68 ILE HD1% 1.0 0.0 5.78 649 575 A 43 LEU HA A 44 PRO HDx 1.0 0.0 3.63 650 576 A 43 LEU HD2% A 44 PRO HDx 1.0 0.0 4.32 651 577 A 45 VAL HA A 69 ARG HH1% 1.0 0.0 4.89 652 578 A 47 ASP H A 45 VAL HA 1.0 0.0 5.67 653 579 A 48 PHE HD% A 45 VAL HA 1.0 0.0 5.78 654 580 A 48 PHE H A 45 VAL HA 1.0 0.0 5.02 655 581 A 57 PHE HB3 A 61 GLN HBy 1.0 0.0 5.03 656 582 A 60 ALA HB% A 59 GLU HB2 1.0 0.0 4.94 657 582 A 59 GLU HB3 A 60 ALA HB% 1.0 0.0 4.94 658 583 A 57 PHE HB2 A 62 LEU HG 1.0 0.0 4.60 659 584 A 63 ALA H A 62 LEU HD2% 1.0 0.0 5.78 660 585 A 64 LEU H A 64 LEU HG 1.0 0.0 5.06 661 586 A 64 LEU HD1% A 68 ILE HG13 1.0 0.0 4.41 662 587 A 64 LEU HD1% A 68 ILE H 1.0 0.0 4.86 663 588 A 31 LEU HD1% A 64 LEU HA 1.0 0.0 5.68 664 589 A 64 LEU HD2% A 64 LEU HA 1.0 0.0 5.48 665 590 A 40 ILE HG2% A 68 ILE HB 1.0 0.0 4.17 666 591 A 62 LEU HD2% A 65 ILE HB 1.0 0.0 4.74 667 592 A 48 PHE HE% A 65 ILE HD1% 1.0 0.0 4.94 668 593 A 65 ILE HD1% A 35 PHE HE% 1.0 0.0 4.88 669 594 A 68 ILE HG12 A 68 ILE HA 1.0 0.0 3.94 670 595 A 40 ILE HB A 68 ILE HG2% 1.0 0.0 4.33 671 596 A 68 ILE HG2% A 68 ILE HA 1.0 0.0 3.69 672 597 A 68 ILE HG2% A 65 ILE HA 1.0 0.0 5.17 673 598 A 68 ILE HG2% A 68 ILE H 1.0 0.0 4.62 674 599 A 68 ILE HD1% A 64 LEU HG 1.0 0.0 3.94 675 600 A 68 ILE HD1% A 37 VAL HA 1.0 0.0 4.94 676 601 A 68 ILE HG2% A 69 ARG HA 1.0 0.0 4.63 677 602 A 73 LYS H A 73 LYS HBy 1.0 0.0 3.99 678 603 A 76 VAL HB A 77 ALA HA 1.0 0.0 5.22 679 604 A 25 GLU HB2 A 21 LEU HBx 1.0 0.0 5.12 680 605 A 25 GLU HB2 A 21 LEU HBy 1.0 0.0 5.12 681 606 A 64 LEU HD1% A 27 ARG HDy 1.0 0.0 4.70 682 607 A 24 ASP HA A 27 ARG HDx 1.0 0.0 4.95 683 608 A 24 ASP HA A 27 ARG HDy 1.0 0.0 4.95 684 609 A 64 LEU HD1% A 27 ARG HDx 1.0 0.0 4.70 685 610 A 28 ALA HA A 33 ILE HG1y 1.0 0.0 4.81 686 611 A 37 VAL HG1% A 24 ASP HBy 1.0 0.0 5.06 687 612 A 43 LEU HB3 A 40 ILE HA 1.0 0.0 5.31 688 613 A 43 LEU HD1% A 47 ASP HBx 1.0 0.0 5.17 689 614 A 43 LEU HD1% A 47 ASP HBy 1.0 0.0 5.17 690 615 A 46 VAL HA A 49 ASN HB3 1.0 0.0 5.05 691 616 A 54 LYS H A 54 LYS HGx 1.0 0.0 5.04 692 617 A 57 PHE HB3 A 61 GLN HBx 1.0 0.0 5.03 693 618 A 63 ALA H A 59 GLU HA 1.0 0.0 5.07 694 619 A 62 LEU HB2 A 63 ALA HA 1.0 0.0 4.83 695 620 A 64 LEU HA A 67 ASP HBx 1.0 0.0 4.43 696 621 A 66 ARG H A 66 ARG HGy 1.0 0.0 4.84 697 622 A 35 PHE HA A 35 PHE HD% 1.0 0.0 3.63 698 623 A 40 ILE HG13 A 35 PHE HD% 1.0 0.0 4.12 699 624 A 35 PHE HD% A 40 ILE HD1% 1.0 0.0 3.93 700 625 A 33 ILE HG2% A 35 PHE HD% 1.0 0.0 3.98 701 626 A 48 PHE HD% A 48 PHE HA 1.0 0.0 3.91 702 627 A 43 LEU HB3 A 48 PHE HD% 1.0 0.0 3.86 703 628 A 48 PHE HD% A 43 LEU HD1% 1.0 0.0 4.01 704 629 A 40 ILE HG13 A 48 PHE HE% 1.0 0.0 5.21 705 630 A 65 ILE HB A 48 PHE HE% 1.0 0.0 5.78 706 631 A 65 ILE HG2% A 48 PHE HE% 1.0 0.0 4.05 707 632 A 40 ILE HG13 A 48 PHE HZ 1.0 0.0 4.30 708 633 A 57 PHE HD% A 57 PHE HA 1.0 0.0 3.32 709 634 A 57 PHE HD% A 52 MET HB2 1.0 0.0 3.81 710 634 A 52 MET HB3 A 57 PHE HD% 1.0 0.0 3.81 711 635 A 57 PHE HD% A 62 LEU HD2% 1.0 0.0 3.69 712 636 A 57 PHE HD% A 65 ILE HD1% 1.0 0.0 3.98 713 637 A 34 PRO HD3 A 57 PHE HE% 1.0 0.0 4.42 714 638 A 34 PRO HD2 A 57 PHE HE% 1.0 0.0 4.14 715 639 A 65 ILE HD1% A 57 PHE HE% 1.0 0.0 4.68 716 640 A 33 ILE HG2% A 57 PHE HE% 1.0 0.0 5.20 717 641 A 33 ILE HD1% A 57 PHE HE% 1.0 0.0 5.78 718 642 A 33 ILE HG2% A 35 PHE HE% 1.0 0.0 5.66 719 643 A 40 ILE HD1% A 35 PHE HE% 1.0 0.0 4.50 720 644 A 57 PHE HD% A 34 PRO HD3 1.0 0.0 4.32 721 645 A 57 PHE HD% A 52 MET HA 1.0 0.0 4.20 722 646 A 43 LEU HB3 A 48 PHE HE% 1.0 0.0 5.12 723 647 A 48 PHE HD% A 65 ILE HG2% 1.0 0.0 4.33 724 648 A 20 HIS HD2 A 20 HIS HBx 1.0 0.0 4.03 725 649 A 20 HIS HD2 A 20 HIS HBy 1.0 0.0 4.03 726 650 A 40 ILE HG12 A 48 PHE HE% 1.0 0.0 4.96 727 651 A 48 PHE HE% A 40 ILE HD1% 1.0 0.0 4.98 728 652 A 16 ARG H A 15 SER HBy 1.0 0.0 4.65 729 652 A 16 ARG H A 15 SER HBx 1.0 0.0 4.65 730 653 A 16 ARG H A 16 ARG HBx 1.0 0.0 3.76 731 653 A 16 ARG H A 16 ARG HBy 1.0 0.0 3.76 732 654 A 17 LEU HD1% A 18 GLU HBy 1.0 0.0 4.37 733 654 A 17 LEU HD1% A 18 GLU HBx 1.0 0.0 4.37 734 655 A 17 LEU HD2% A 18 GLU HBy 1.0 0.0 4.16 735 655 A 17 LEU HD2% A 18 GLU HBx 1.0 0.0 4.16 736 656 A 18 GLU H A 18 GLU HBy 1.0 0.0 3.54 737 656 A 18 GLU H A 18 GLU HBx 1.0 0.0 3.54 738 657 A 19 ALA H A 18 GLU HBy 1.0 0.0 4.28 739 657 A 19 ALA H A 18 GLU HBx 1.0 0.0 4.28 740 658 A 20 HIS H A 20 HIS HBy 1.0 0.0 3.83 741 658 A 20 HIS H A 20 HIS HBx 1.0 0.0 3.83 742 659 A 20 HIS HD2 A 20 HIS HBy 1.0 0.0 3.48 743 659 A 20 HIS HD2 A 20 HIS HBx 1.0 0.0 3.48 744 660 A 21 LEU H A 20 HIS HBy 1.0 0.0 4.32 745 660 A 21 LEU H A 20 HIS HBx 1.0 0.0 4.32 746 661 A 21 LEU H A 21 LEU HBx 1.0 0.0 3.37 747 661 A 21 LEU H A 21 LEU HBy 1.0 0.0 3.37 748 662 A 21 LEU HD1% A 21 LEU HBx 1.0 0.0 3.12 749 662 A 21 LEU HD1% A 21 LEU HBy 1.0 0.0 3.12 750 663 A 25 GLU HB3 A 21 LEU HBx 1.0 0.0 4.91 751 663 A 25 GLU HB3 A 21 LEU HBy 1.0 0.0 4.91 752 664 A 23 ARG H A 23 ARG HBy 1.0 0.0 3.51 753 664 A 23 ARG H A 23 ARG HBx 1.0 0.0 3.51 754 665 A 23 ARG H A 23 ARG HGy 1.0 0.0 4.34 755 665 A 23 ARG H A 23 ARG HGx 1.0 0.0 4.34 756 666 A 23 ARG HA A 23 ARG HGy 1.0 0.0 3.93 757 666 A 23 ARG HA A 23 ARG HGx 1.0 0.0 3.93 758 667 A 23 ARG HA A 26 LEU HBx 1.0 0.0 4.06 759 667 A 23 ARG HA A 26 LEU HBy 1.0 0.0 4.06 760 668 A 24 ASP H A 23 ARG HBy 1.0 0.0 3.76 761 668 A 24 ASP H A 23 ARG HBx 1.0 0.0 3.76 762 669 A 24 ASP H A 23 ARG HGy 1.0 0.0 4.96 763 669 A 24 ASP H A 23 ARG HGx 1.0 0.0 4.96 764 670 A 26 LEU HD1% A 23 ARG HGy 1.0 0.0 4.04 765 670 A 26 LEU HD1% A 23 ARG HGx 1.0 0.0 4.04 766 671 A 24 ASP H A 24 ASP HBx 1.0 0.0 3.50 767 671 A 24 ASP H A 24 ASP HBy 1.0 0.0 3.50 768 672 A 24 ASP HA A 27 ARG HDx 1.0 0.0 4.30 769 672 A 24 ASP HA A 27 ARG HDy 1.0 0.0 4.30 770 673 A 25 GLU H A 24 ASP HBx 1.0 0.0 4.37 771 673 A 25 GLU H A 24 ASP HBy 1.0 0.0 4.37 772 674 A 37 VAL HG1% A 24 ASP HBx 1.0 0.0 4.21 773 674 A 37 VAL HG1% A 24 ASP HBy 1.0 0.0 4.21 774 675 A 37 VAL HG2% A 24 ASP HBx 1.0 0.0 5.00 775 675 A 37 VAL HG2% A 24 ASP HBy 1.0 0.0 5.00 776 676 A 68 ILE HD1% A 24 ASP HBx 1.0 0.0 4.21 777 676 A 68 ILE HD1% A 24 ASP HBy 1.0 0.0 4.21 778 677 A 26 LEU H A 26 LEU HBx 1.0 0.0 3.28 779 677 A 26 LEU H A 26 LEU HBy 1.0 0.0 3.28 780 678 A 26 LEU HD1% A 26 LEU HBx 1.0 0.0 3.33 781 678 A 26 LEU HD1% A 26 LEU HBy 1.0 0.0 3.33 782 679 A 26 LEU HD2% A 26 LEU HBx 1.0 0.0 3.23 783 679 A 26 LEU HD2% A 26 LEU HBy 1.0 0.0 3.23 784 680 A 27 ARG H A 26 LEU HBx 1.0 0.0 3.34 785 680 A 27 ARG H A 26 LEU HBy 1.0 0.0 3.34 786 681 A 27 ARG H A 27 ARG HBx 1.0 0.0 3.70 787 681 A 27 ARG H A 27 ARG HBy 1.0 0.0 3.70 788 682 A 27 ARG HA A 27 ARG HDx 1.0 0.0 5.61 789 682 A 27 ARG HA A 27 ARG HDy 1.0 0.0 5.61 790 683 A 27 ARG HBx A 27 ARG HDx 1.0 0.0 3.46 791 683 A 27 ARG HBy A 27 ARG HDx 1.0 0.0 3.46 792 683 A 27 ARG HDy A 27 ARG HBx 1.0 0.0 3.46 793 683 A 27 ARG HDy A 27 ARG HBy 1.0 0.0 3.46 794 684 A 64 LEU HD2% A 27 ARG HBx 1.0 0.0 4.74 795 684 A 64 LEU HD2% A 27 ARG HBy 1.0 0.0 4.74 796 685 A 64 LEU HD1% A 27 ARG HGy 1.0 0.0 3.68 797 685 A 64 LEU HD1% A 27 ARG HGx 1.0 0.0 3.68 798 686 A 64 LEU HD2% A 27 ARG HGy 1.0 0.0 4.53 799 686 A 64 LEU HD2% A 27 ARG HGx 1.0 0.0 4.53 800 687 A 64 LEU HD2% A 27 ARG HDx 1.0 0.0 4.54 801 687 A 64 LEU HD2% A 27 ARG HDy 1.0 0.0 4.54 802 688 A 28 ALA HA A 33 ILE HG1y 1.0 0.0 4.19 803 688 A 28 ALA HA A 33 ILE HG1x 1.0 0.0 4.19 804 689 A 29 LYS H A 29 LYS HGx 1.0 0.0 4.38 805 689 A 29 LYS H A 29 LYS HGy 1.0 0.0 4.38 806 690 A 29 LYS HA A 29 LYS HGx 1.0 0.0 3.71 807 690 A 29 LYS HA A 29 LYS HGy 1.0 0.0 3.71 808 691 A 31 LEU HD1% A 64 LEU HBx 1.0 0.0 3.82 809 691 A 31 LEU HD1% A 64 LEU HBy 1.0 0.0 3.82 810 692 A 33 ILE HD1% A 61 GLN HBx 1.0 0.0 4.99 811 692 A 33 ILE HD1% A 61 GLN HBy 1.0 0.0 4.99 812 693 A 33 ILE HD1% A 61 GLN HE2y 1.0 0.0 5.61 813 693 A 33 ILE HD1% A 61 GLN HE2x 1.0 0.0 5.61 814 694 A 33 ILE HD1% A 65 ILE HG1x 1.0 0.0 3.69 815 694 A 33 ILE HD1% A 65 ILE HG1y 1.0 0.0 3.69 816 695 A 57 PHE HE% A 34 PRO HBx 1.0 0.0 4.28 817 695 A 57 PHE HE% A 34 PRO HBy 1.0 0.0 4.28 818 696 A 57 PHE HD% A 34 PRO HGx 1.0 0.0 4.90 819 696 A 57 PHE HD% A 34 PRO HGy 1.0 0.0 4.90 820 697 A 35 PHE HA A 36 PRO HDy 1.0 0.0 3.35 821 697 A 35 PHE HA A 36 PRO HDx 1.0 0.0 3.35 822 698 A 35 PHE HB2 A 36 PRO HDy 1.0 0.0 4.25 823 698 A 35 PHE HB2 A 36 PRO HDx 1.0 0.0 4.25 824 699 A 35 PHE HB3 A 36 PRO HDy 1.0 0.0 3.96 825 699 A 35 PHE HB3 A 36 PRO HDx 1.0 0.0 3.96 826 700 A 35 PHE HB3 A 39 LYS HBx 1.0 0.0 4.65 827 700 A 35 PHE HB3 A 39 LYS HBy 1.0 0.0 4.65 828 701 A 38 GLU H A 36 PRO HBy 1.0 0.0 3.97 829 701 A 38 GLU H A 36 PRO HBx 1.0 0.0 3.97 830 702 A 39 LYS H A 36 PRO HBy 1.0 0.0 4.16 831 702 A 39 LYS H A 36 PRO HBx 1.0 0.0 4.16 832 703 A 36 PRO HG2 A 39 LYS HGx 1.0 0.0 4.64 833 703 A 36 PRO HG3 A 39 LYS HGx 1.0 0.0 4.64 834 703 A 39 LYS HGy A 36 PRO HG2 1.0 0.0 4.64 835 703 A 36 PRO HG3 A 39 LYS HGy 1.0 0.0 4.64 836 704 A 36 PRO HDy A 39 LYS HBx 1.0 0.0 4.28 837 704 A 36 PRO HDx A 39 LYS HBx 1.0 0.0 4.28 838 704 A 39 LYS HBy A 36 PRO HDy 1.0 0.0 4.28 839 704 A 36 PRO HDx A 39 LYS HBy 1.0 0.0 4.28 840 705 A 36 PRO HDx A 39 LYS HD2 1.0 0.0 4.41 841 705 A 36 PRO HDy A 39 LYS HD2 1.0 0.0 4.41 842 705 A 39 LYS HD3 A 36 PRO HDy 1.0 0.0 4.41 843 705 A 39 LYS HD3 A 36 PRO HDx 1.0 0.0 4.41 844 706 A 37 VAL HG1% A 41 ILE HG1x 1.0 0.0 4.61 845 706 A 37 VAL HG1% A 41 ILE HG1y 1.0 0.0 4.61 846 707 A 38 GLU H A 38 GLU HBx 1.0 0.0 3.68 847 707 A 38 GLU H A 38 GLU HBy 1.0 0.0 3.68 848 708 A 38 GLU HA A 41 ILE HG1x 1.0 0.0 5.05 849 708 A 38 GLU HA A 41 ILE HG1y 1.0 0.0 5.05 850 709 A 38 GLU HG2 A 42 ASN HD2x 1.0 0.0 4.80 851 709 A 38 GLU HG3 A 42 ASN HD2x 1.0 0.0 4.80 852 709 A 42 ASN HD2y A 38 GLU HG2 1.0 0.0 4.80 853 709 A 38 GLU HG3 A 42 ASN HD2y 1.0 0.0 4.80 854 710 A 39 LYS H A 39 LYS HGx 1.0 0.0 4.82 855 710 A 39 LYS H A 39 LYS HGy 1.0 0.0 4.82 856 711 A 39 LYS HA A 39 LYS HGx 1.0 0.0 3.93 857 711 A 39 LYS HA A 39 LYS HGy 1.0 0.0 3.93 858 712 A 40 ILE H A 39 LYS HBx 1.0 0.0 4.24 859 712 A 40 ILE H A 39 LYS HBy 1.0 0.0 4.24 860 713 A 43 LEU HD1% A 39 LYS HBx 1.0 0.0 4.58 861 713 A 43 LEU HD1% A 39 LYS HBy 1.0 0.0 4.58 862 714 A 39 LYS HEy A 39 LYS HGx 1.0 0.0 3.49 863 714 A 39 LYS HEx A 39 LYS HGx 1.0 0.0 3.49 864 714 A 39 LYS HGy A 39 LYS HEx 1.0 0.0 3.49 865 714 A 39 LYS HGy A 39 LYS HEy 1.0 0.0 3.49 866 715 A 43 LEU HD1% A 39 LYS HEx 1.0 0.0 4.63 867 715 A 43 LEU HD1% A 39 LYS HEy 1.0 0.0 4.63 868 716 A 43 LEU HD2% A 39 LYS HEx 1.0 0.0 4.45 869 716 A 43 LEU HD2% A 39 LYS HEy 1.0 0.0 4.45 870 717 A 40 ILE HG2% A 69 ARG HBy 1.0 0.0 4.90 871 717 A 40 ILE HG2% A 69 ARG HBx 1.0 0.0 4.90 872 718 A 40 ILE HG2% A 69 ARG HGx 1.0 0.0 3.77 873 718 A 40 ILE HG2% A 69 ARG HGy 1.0 0.0 3.77 874 719 A 40 ILE HG2% A 69 ARG HDx 1.0 0.0 4.94 875 719 A 40 ILE HG2% A 69 ARG HDy 1.0 0.0 4.94 876 720 A 41 ILE H A 41 ILE HG1x 1.0 0.0 3.89 877 720 A 41 ILE H A 41 ILE HG1y 1.0 0.0 3.89 878 721 A 41 ILE HB A 42 ASN HBx 1.0 0.0 4.90 879 721 A 41 ILE HB A 42 ASN HBy 1.0 0.0 4.90 880 722 A 41 ILE HG2% A 42 ASN HD2x 1.0 0.0 4.78 881 722 A 41 ILE HG2% A 42 ASN HD2y 1.0 0.0 4.78 882 723 A 68 ILE HG2% A 41 ILE HG1x 1.0 0.0 4.09 883 723 A 68 ILE HG2% A 41 ILE HG1y 1.0 0.0 4.09 884 724 A 69 ARG HA A 41 ILE HG1x 1.0 0.0 4.81 885 724 A 69 ARG HA A 41 ILE HG1y 1.0 0.0 4.81 886 725 A 41 ILE HD1% A 72 GLY HAy 1.0 0.0 4.46 887 725 A 41 ILE HD1% A 72 GLY HAx 1.0 0.0 4.46 888 726 A 42 ASN HBy A 42 ASN HD2x 1.0 0.0 3.38 889 726 A 42 ASN HBx A 42 ASN HD2x 1.0 0.0 3.38 890 726 A 42 ASN HD2y A 42 ASN HBx 1.0 0.0 3.38 891 726 A 42 ASN HD2y A 42 ASN HBy 1.0 0.0 3.38 892 727 A 43 LEU H A 42 ASN HBx 1.0 0.0 4.36 893 727 A 43 LEU H A 42 ASN HBy 1.0 0.0 4.36 894 728 A 43 LEU HA A 44 PRO HDy 1.0 0.0 3.14 895 728 A 43 LEU HA A 44 PRO HDx 1.0 0.0 3.14 896 729 A 43 LEU HB2 A 48 PHE HBy 1.0 0.0 4.89 897 729 A 43 LEU HB2 A 48 PHE HBx 1.0 0.0 4.89 898 730 A 43 LEU HD2% A 44 PRO HDy 1.0 0.0 3.73 899 730 A 43 LEU HD2% A 44 PRO HDx 1.0 0.0 3.73 900 731 A 43 LEU HD2% A 47 ASP HBx 1.0 0.0 3.52 901 731 A 43 LEU HD2% A 47 ASP HBy 1.0 0.0 3.52 902 732 A 45 VAL H A 44 PRO HBx 1.0 0.0 3.58 903 732 A 45 VAL H A 44 PRO HBy 1.0 0.0 3.58 904 733 A 46 VAL H A 44 PRO HBx 1.0 0.0 3.52 905 733 A 46 VAL H A 44 PRO HBy 1.0 0.0 3.52 906 734 A 47 ASP H A 44 PRO HBx 1.0 0.0 4.80 907 734 A 47 ASP H A 44 PRO HBy 1.0 0.0 4.80 908 735 A 47 ASP H A 44 PRO HGx 1.0 0.0 4.91 909 735 A 47 ASP H A 44 PRO HGy 1.0 0.0 4.91 910 736 A 44 PRO HGy A 47 ASP HBx 1.0 0.0 4.26 911 736 A 44 PRO HGx A 47 ASP HBx 1.0 0.0 4.26 912 736 A 47 ASP HBy A 44 PRO HGx 1.0 0.0 4.26 913 736 A 47 ASP HBy A 44 PRO HGy 1.0 0.0 4.26 914 737 A 44 PRO HDy A 47 ASP HBx 1.0 0.0 4.15 915 737 A 44 PRO HDx A 47 ASP HBx 1.0 0.0 4.15 916 737 A 47 ASP HBy A 44 PRO HDy 1.0 0.0 4.15 917 737 A 44 PRO HDx A 47 ASP HBy 1.0 0.0 4.15 918 738 A 45 VAL HA A 48 PHE HBy 1.0 0.0 3.82 919 738 A 45 VAL HA A 48 PHE HBx 1.0 0.0 3.82 920 739 A 45 VAL HG1% A 49 ASN HD2y 1.0 0.0 3.65 921 739 A 45 VAL HG1% A 49 ASN HD2x 1.0 0.0 3.65 922 740 A 45 VAL HG2% A 49 ASN HD2y 1.0 0.0 4.74 923 740 A 45 VAL HG2% A 49 ASN HD2x 1.0 0.0 4.74 924 741 A 47 ASP HA A 50 GLU HBy 1.0 0.0 4.17 925 741 A 47 ASP HA A 50 GLU HBx 1.0 0.0 4.17 926 742 A 48 PHE H A 47 ASP HBx 1.0 0.0 4.35 927 742 A 48 PHE H A 47 ASP HBy 1.0 0.0 4.35 928 743 A 48 PHE H A 48 PHE HBy 1.0 0.0 3.75 929 743 A 48 PHE H A 48 PHE HBx 1.0 0.0 3.75 930 744 A 49 ASN H A 48 PHE HBy 1.0 0.0 4.03 931 744 A 49 ASN H A 48 PHE HBx 1.0 0.0 4.03 932 745 A 49 ASN HB2 A 49 ASN HD2y 1.0 0.0 3.71 933 745 A 49 ASN HB2 A 49 ASN HD2x 1.0 0.0 3.71 934 746 A 50 GLU H A 50 GLU HBy 1.0 0.0 3.26 935 746 A 50 GLU H A 50 GLU HBx 1.0 0.0 3.26 936 747 A 51 MET H A 50 GLU HBy 1.0 0.0 4.37 937 747 A 51 MET H A 50 GLU HBx 1.0 0.0 4.37 938 748 A 51 MET H A 50 GLU HGy 1.0 0.0 5.61 939 748 A 51 MET H A 50 GLU HGx 1.0 0.0 5.61 940 749 A 51 MET H A 51 MET HGx 1.0 0.0 4.53 941 749 A 51 MET H A 51 MET HGy 1.0 0.0 4.53 942 750 A 52 MET H A 51 MET HBy 1.0 0.0 3.89 943 750 A 52 MET H A 51 MET HBx 1.0 0.0 3.89 944 751 A 52 MET H A 51 MET HGx 1.0 0.0 5.12 945 751 A 52 MET H A 51 MET HGy 1.0 0.0 5.12 946 752 A 53 SER HB3 A 54 LYS HGx 1.0 0.0 4.83 947 752 A 54 LYS HGy A 53 SER HB2 1.0 0.0 4.83 948 752 A 53 SER HB3 A 54 LYS HGy 1.0 0.0 4.83 949 752 A 53 SER HB2 A 54 LYS HGx 1.0 0.0 4.83 950 753 A 54 LYS H A 54 LYS HBx 1.0 0.0 3.81 951 753 A 54 LYS H A 54 LYS HBy 1.0 0.0 3.81 952 754 A 54 LYS H A 54 LYS HGx 1.0 0.0 4.37 953 754 A 54 LYS H A 54 LYS HGy 1.0 0.0 4.37 954 755 A 56 GLN H A 55 GLU HBy 1.0 0.0 3.79 955 755 A 56 GLN H A 55 GLU HBx 1.0 0.0 3.79 956 756 A 56 GLN H A 56 GLN HBx 1.0 0.0 3.59 957 756 A 56 GLN H A 56 GLN HBy 1.0 0.0 3.59 958 757 A 57 PHE H A 56 GLN HBx 1.0 0.0 4.61 959 757 A 57 PHE H A 56 GLN HBy 1.0 0.0 4.61 960 758 A 57 PHE HB3 A 61 GLN HBx 1.0 0.0 4.21 961 758 A 57 PHE HB3 A 61 GLN HBy 1.0 0.0 4.21 962 759 A 58 ASN H A 61 GLN HBx 1.0 0.0 4.22 963 759 A 58 ASN H A 61 GLN HBy 1.0 0.0 4.22 964 760 A 58 ASN H A 61 GLN HE2y 1.0 0.0 5.61 965 760 A 58 ASN H A 61 GLN HE2x 1.0 0.0 5.61 966 761 A 59 GLU H A 59 GLU HGy 1.0 0.0 4.01 967 761 A 59 GLU H A 59 GLU HGx 1.0 0.0 4.01 968 762 A 60 ALA H A 59 GLU HGy 1.0 0.0 4.88 969 762 A 60 ALA H A 59 GLU HGx 1.0 0.0 4.88 970 763 A 60 ALA HB% A 59 GLU HGy 1.0 0.0 4.87 971 763 A 60 ALA HB% A 59 GLU HGx 1.0 0.0 4.87 972 764 A 61 GLN H A 61 GLN HBx 1.0 0.0 3.80 973 764 A 61 GLN H A 61 GLN HBy 1.0 0.0 3.80 974 765 A 62 LEU H A 61 GLN HBx 1.0 0.0 3.69 975 765 A 62 LEU H A 61 GLN HBy 1.0 0.0 3.69 976 766 A 65 ILE HD1% A 61 GLN HBx 1.0 0.0 4.73 977 766 A 65 ILE HD1% A 61 GLN HBy 1.0 0.0 4.73 978 767 A 63 ALA HA A 66 ARG HDx 1.0 0.0 5.61 979 767 A 63 ALA HA A 66 ARG HDy 1.0 0.0 5.61 980 768 A 64 LEU H A 64 LEU HBx 1.0 0.0 3.19 981 768 A 64 LEU H A 64 LEU HBy 1.0 0.0 3.19 982 769 A 65 ILE H A 64 LEU HBx 1.0 0.0 4.35 983 769 A 65 ILE H A 64 LEU HBy 1.0 0.0 4.35 984 770 A 64 LEU HD1% A 67 ASP HBx 1.0 0.0 4.32 985 770 A 64 LEU HD1% A 67 ASP HBy 1.0 0.0 4.32 986 771 A 65 ILE H A 65 ILE HG1x 1.0 0.0 3.11 987 771 A 65 ILE H A 65 ILE HG1y 1.0 0.0 3.11 988 772 A 65 ILE HA A 65 ILE HG1x 1.0 0.0 3.77 989 772 A 65 ILE HA A 65 ILE HG1y 1.0 0.0 3.77 990 773 A 65 ILE HG2% A 65 ILE HG1x 1.0 0.0 3.42 991 773 A 65 ILE HG2% A 65 ILE HG1y 1.0 0.0 3.42 992 774 A 65 ILE HG2% A 69 ARG HBy 1.0 0.0 3.95 993 774 A 65 ILE HG2% A 69 ARG HBx 1.0 0.0 3.95 994 775 A 66 ARG H A 66 ARG HGy 1.0 0.0 4.22 995 775 A 66 ARG H A 66 ARG HGx 1.0 0.0 4.22 996 776 A 66 ARG HA A 66 ARG HGy 1.0 0.0 3.81 997 776 A 66 ARG HA A 66 ARG HGx 1.0 0.0 3.81 998 777 A 66 ARG HA A 69 ARG HBy 1.0 0.0 4.16 999 777 A 66 ARG HA A 69 ARG HBx 1.0 0.0 4.16 1000 778 A 67 ASP H A 67 ASP HBx 1.0 0.0 3.22 1001 778 A 67 ASP H A 67 ASP HBy 1.0 0.0 3.22 1002 779 A 68 ILE H A 67 ASP HBx 1.0 0.0 4.11 1003 779 A 68 ILE H A 67 ASP HBy 1.0 0.0 4.11 1004 780 A 69 ARG H A 69 ARG HBy 1.0 0.0 3.51 1005 780 A 69 ARG H A 69 ARG HBx 1.0 0.0 3.51 1006 781 A 69 ARG H A 69 ARG HGx 1.0 0.0 4.57 1007 781 A 69 ARG H A 69 ARG HGy 1.0 0.0 4.57 1008 782 A 69 ARG HA A 69 ARG HDx 1.0 0.0 4.77 1009 782 A 69 ARG HA A 69 ARG HDy 1.0 0.0 4.77 1010 783 A 70 ARG H A 69 ARG HBy 1.0 0.0 4.34 1011 783 A 70 ARG H A 69 ARG HBx 1.0 0.0 4.34 1012 784 A 70 ARG H A 70 ARG HGy 1.0 0.0 3.89 1013 784 A 70 ARG H A 70 ARG HGx 1.0 0.0 3.89 1014 785 A 71 ARG H A 70 ARG HGy 1.0 0.0 4.58 1015 785 A 71 ARG H A 70 ARG HGx 1.0 0.0 4.58 1016 786 A 71 ARG HA A 71 ARG HGy 1.0 0.0 3.66 1017 786 A 71 ARG HA A 71 ARG HGx 1.0 0.0 3.66 1018 787 A 73 LYS H A 73 LYS HBx 1.0 0.0 3.39 1019 787 A 73 LYS H A 73 LYS HBy 1.0 0.0 3.39 1020 788 A 73 LYS H A 73 LYS HGx 1.0 0.0 4.06 1021 788 A 73 LYS H A 73 LYS HGy 1.0 0.0 4.06 1022 789 A 74 ASN H A 73 LYS HBx 1.0 0.0 4.62 1023 789 A 74 ASN H A 73 LYS HBy 1.0 0.0 4.62 1024 790 A 74 ASN H A 74 ASN HD2x 1.0 0.0 5.30 1025 790 A 74 ASN H A 74 ASN HD2y 1.0 0.0 5.30 1026 791 A 74 ASN HBy A 74 ASN HD2x 1.0 0.0 3.34 1027 791 A 74 ASN HD2y A 74 ASN HBx 1.0 0.0 3.34 1028 791 A 74 ASN HD2y A 74 ASN HBy 1.0 0.0 3.34 1029 791 A 74 ASN HBx A 74 ASN HD2x 1.0 0.0 3.34 1030 792 A 75 LYS H A 74 ASN HBx 1.0 0.0 4.49 1031 792 A 75 LYS H A 74 ASN HBy 1.0 0.0 4.49 1032 793 A 75 LYS H A 75 LYS HBx 1.0 0.0 3.37 1033 793 A 75 LYS H A 75 LYS HBy 1.0 0.0 3.37 1034 794 A 75 LYS H A 75 LYS HGy 1.0 0.0 4.07 1035 794 A 75 LYS H A 75 LYS HGx 1.0 0.0 4.07 1036 795 A 76 VAL H A 75 LYS HBx 1.0 0.0 4.34 1037 795 A 76 VAL H A 75 LYS HBy 1.0 0.0 4.34 1038 796 A 76 VAL H A 75 LYS HGy 1.0 0.0 5.58 1039 796 A 76 VAL H A 75 LYS HGx 1.0 0.0 5.58 1040 797 A 79 GLN H A 79 GLN HBx 1.0 0.0 3.66 1041 797 A 79 GLN H A 79 GLN HBy 1.0 0.0 3.66 1042 798 A 80 ASN H A 79 GLN HBx 1.0 0.0 4.44 1043 798 A 80 ASN H A 79 GLN HBy 1.0 0.0 4.44 1044 799 A 80 ASN H A 80 ASN HBx 1.0 0.0 3.87 1045 799 A 80 ASN H A 80 ASN HBy 1.0 0.0 3.87 1046 800 A 82 ARG H A 82 ARG HBx 1.0 0.0 3.87 1047 800 A 82 ARG H A 82 ARG HBy 1.0 0.0 3.87 1048 801 A 83 LYS H A 83 LYS HBx 1.0 0.0 3.66 1049 801 A 83 LYS H A 83 LYS HBy 1.0 0.0 3.66 1050 802 A 84 ARG H A 83 LYS HBx 1.0 0.0 4.37 1051 802 A 84 ARG H A 83 LYS HBy 1.0 0.0 4.37 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 22 THR C A 23 ARG N A 23 ARG CA A 23 ARG C 1.0 -70.2 -50.2 PHI 2 2 A 23 ARG N A 23 ARG CA A 23 ARG C A 24 ASP N 1.0 -50.4 -24.2 PSI 3 3 A 23 ARG C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -75.6 -52.8 PHI 4 4 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 GLU N 1.0 -53.1 -29.7 PSI 5 5 A 24 ASP C A 25 GLU N A 25 GLU CA A 25 GLU C 1.0 -77.9 -55.1 PHI 6 6 A 25 GLU N A 25 GLU CA A 25 GLU C A 26 LEU N 1.0 -59.4 -27.8 PSI 7 7 A 25 GLU C A 26 LEU N A 26 LEU CA A 26 LEU C 1.0 -75.0 -55.0 PHI 8 8 A 26 LEU N A 26 LEU CA A 26 LEU C A 27 ARG N 1.0 -50.5 -30.5 PSI 9 9 A 26 LEU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -75.8 -55.8 PHI 10 10 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ALA N 1.0 -52.7 -31.7 PSI 11 11 A 27 ARG C A 28 ALA N A 28 ALA CA A 28 ALA C 1.0 -75.5 -52.3 PHI 12 12 A 28 ALA N A 28 ALA CA A 28 ALA C A 29 LYS N 1.0 -52.8 -32.8 PSI 13 13 A 28 ALA C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -77.0 -54.0 PHI 14 14 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ALA N 1.0 -55.5 -25.3 PSI 15 15 A 29 LYS C A 30 ALA N A 30 ALA CA A 30 ALA C 1.0 -76.1 -56.1 PHI 16 16 A 30 ALA N A 30 ALA CA A 30 ALA C A 31 LEU N 1.0 -43.3 -8.3 PSI 17 17 A 30 ALA C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -110.4 -76.8 PHI 18 18 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 HIS N 1.0 -13.1 28.1 PSI 19 19 A 31 LEU C A 32 HIS N A 32 HIS CA A 32 HIS C 1.0 48.5 71.7 PHI 20 20 A 32 HIS N A 32 HIS CA A 32 HIS C A 33 ILE N 1.0 12.8 56.8 PSI 21 21 A 32 HIS C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -123.9 -57.5 PHI 22 22 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 PRO N 1.0 83.6 168.6 PSI 23 23 A 36 PRO C A 37 VAL N A 37 VAL CA A 37 VAL C 1.0 -69.8 -30.2 PHI 24 24 A 37 VAL N A 37 VAL CA A 37 VAL C A 38 GLU N 1.0 -65.3 -27.3 PSI 25 25 A 37 VAL C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -71.1 -44.1 PHI 26 26 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 LYS N 1.0 -60.0 -18.6 PSI 27 27 A 38 GLU C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -82.5 -52.9 PHI 28 28 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 ILE N 1.0 -55.0 -9.4 PSI 29 29 A 39 LYS C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -75.2 -55.2 PHI 30 30 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 ILE N 1.0 -57.6 -30.4 PSI 31 31 A 40 ILE C A 41 ILE N A 41 ILE CA A 41 ILE C 1.0 -94.8 -40.0 PHI 32 32 A 41 ILE N A 41 ILE CA A 41 ILE C A 42 ASN N 1.0 -54.9 -26.9 PSI 33 33 A 41 ILE C A 42 ASN N A 42 ASN CA A 42 ASN C 1.0 -108.8 -77.6 PHI 34 34 A 42 ASN N A 42 ASN CA A 42 ASN C A 43 LEU N 1.0 -55.4 37.0 PSI 35 35 A 42 ASN C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -137.2 -18.6 PHI 36 36 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 PRO N 1.0 88.0 195.2 PSI 37 37 A 44 PRO C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -70.5 -30.3 PHI 38 38 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 VAL N 1.0 -66.7 -23.1 PSI 39 39 A 45 VAL C A 46 VAL N A 46 VAL CA A 46 VAL C 1.0 -70.9 -47.1 PHI 40 40 A 46 VAL N A 46 VAL CA A 46 VAL C A 47 ASP N 1.0 -58.6 -29.4 PSI 41 41 A 46 VAL C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -82.3 -54.5 PHI 42 42 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 PHE N 1.0 -49.4 -25.4 PSI 43 43 A 47 ASP C A 48 PHE N A 48 PHE CA A 48 PHE C 1.0 -73.3 -53.3 PHI 44 44 A 48 PHE N A 48 PHE CA A 48 PHE C A 49 ASN N 1.0 -55.9 -35.9 PSI 45 45 A 48 PHE C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -72.8 -52.8 PHI 46 46 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 GLU N 1.0 -50.8 -29.6 PSI 47 47 A 49 ASN C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -85.4 -56.0 PHI 48 48 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 MET N 1.0 -47.1 -23.5 PSI 49 49 A 50 GLU C A 51 MET N A 51 MET CA A 51 MET C 1.0 -74.3 -53.9 PHI 50 50 A 51 MET N A 51 MET CA A 51 MET C A 52 MET N 1.0 -56.3 -36.3 PSI 51 51 A 51 MET C A 52 MET N A 52 MET CA A 52 MET C 1.0 -74.1 -54.1 PHI 52 52 A 52 MET N A 52 MET CA A 52 MET C A 53 SER N 1.0 -53.8 -10.4 PSI 53 53 A 52 MET C A 53 SER N A 53 SER CA A 53 SER C 1.0 -89.2 -49.0 PHI 54 54 A 53 SER N A 53 SER CA A 53 SER C A 54 LYS N 1.0 -61.4 -3.6 PSI 55 55 A 53 SER C A 54 LYS N A 54 LYS CA A 54 LYS C 1.0 -126.0 -65.0 PHI 56 56 A 54 LYS N A 54 LYS CA A 54 LYS C A 55 GLU N 1.0 -51.8 43.0 PSI 57 57 A 57 PHE C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -103.5 -70.7 PHI 58 58 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 GLU N 1.0 152.0 196.0 PSI 59 59 A 58 ASN C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -69.9 -49.9 PHI 60 60 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 ALA N 1.0 -49.7 -25.9 PSI 61 61 A 59 GLU C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -75.7 -55.7 PHI 62 62 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLN N 1.0 -49.8 -29.4 PSI 63 63 A 60 ALA C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -72.7 -52.7 PHI 64 64 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 LEU N 1.0 -54.3 -34.3 PSI 65 65 A 61 GLN C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -73.0 -51.2 PHI 66 66 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ALA N 1.0 -53.0 -28.4 PSI 67 67 A 62 LEU C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -75.1 -47.5 PHI 68 68 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 LEU N 1.0 -59.7 -26.5 PSI 69 69 A 63 ALA C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -75.1 -55.1 PHI 70 70 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 ILE N 1.0 -55.3 -26.7 PSI 71 71 A 64 LEU C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -73.1 -53.1 PHI 72 72 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 ARG N 1.0 -54.6 -29.2 PSI 73 73 A 65 ILE C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -69.6 -49.6 PHI 74 74 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ASP N 1.0 -50.5 -30.5 PSI 75 75 A 66 ARG C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -74.8 -54.8 PHI 76 76 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ILE N 1.0 -54.4 -32.0 PSI 77 77 A 67 ASP C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -74.3 -53.1 PHI 78 78 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 ARG N 1.0 -58.0 -21.6 PSI 79 79 A 68 ILE C A 69 ARG N A 69 ARG CA A 69 ARG C 1.0 -72.1 -50.5 PHI 80 80 A 69 ARG N A 69 ARG CA A 69 ARG C A 70 ARG N 1.0 -50.5 -30.5 PSI 81 81 A 69 ARG C A 70 ARG N A 70 ARG CA A 70 ARG C 1.0 -78.8 -50.2 PHI 82 82 A 70 ARG N A 70 ARG CA A 70 ARG C A 71 ARG N 1.0 -55.1 -23.1 PSI 83 83 A 70 ARG C A 71 ARG N A 71 ARG CA A 71 ARG C 1.0 -101.2 -42.4 PHI 84 84 A 71 ARG N A 71 ARG CA A 71 ARG C A 72 GLY N 1.0 -63.6 -5.6 PSI stop_ save_ save_N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode N _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3752.4 2 1H 7504.7 3 15N 1817.6 stop_ save_ save_13Cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Cali _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 7504.7 2 1H 7504.7 3 13C 8303.9 stop_ save_ save_13Caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Caro _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 3752.3 2 1H 7504.7 3 13C 8303.9 stop_ save_