data_nef_c15659_2k0y 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 BMRB 15658 PDB 1AF8 PDB 2AF8 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 ALA middle . . 3 A 3 THR middle . . 4 A 4 LEU middle . . 5 A 5 LEU middle . . 6 A 6 THR middle . . 7 A 7 THR middle . . 8 A 8 ASP middle . . 9 A 9 ASP middle . . 10 A 10 LEU middle . . 11 A 11 ARG middle . . 12 A 12 ARG middle . . 13 A 13 ALA middle . . 14 A 14 LEU middle . . 15 A 15 VAL middle . . 16 A 16 GLU middle . . 17 A 17 SER middle . . 18 A 18 ALA middle . . 19 A 19 GLY middle . false 20 A 20 GLU middle . . 21 A 21 THR middle . . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 THR middle . . 25 A 25 ASP middle . . 26 A 26 LEU middle . . 27 A 27 SER middle . . 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 PHE middle . . 31 A 31 LEU middle . . 32 A 32 ASP middle . . 33 A 33 LEU middle . . 34 A 34 ARG middle . . 35 A 35 PHE middle . . 36 A 36 GLU middle . . 37 A 37 ASP middle . . 38 A 38 ILE middle . . 39 A 39 GLY middle . false 40 A 40 TYR middle . . 41 A 41 ASP middle . . 42 A 42 SER middle . . 43 A 43 LEU middle . . 44 A 44 ALA middle . . 45 A 45 LEU middle . . 46 A 46 MET middle . . 47 A 47 GLU middle . . 48 A 48 THR middle . . 49 A 49 ALA middle . . 50 A 50 ALA middle . . 51 A 51 ARG middle . . 52 A 52 LEU middle . . 53 A 53 GLU middle . . 54 A 54 SER middle . . 55 A 55 ARG middle . . 56 A 56 TYR middle . . 57 A 57 GLY middle . false 58 A 58 VAL middle . . 59 A 59 SER middle . . 60 A 60 ILE middle . . 61 A 61 PRO middle . false 62 A 62 ASP middle . . 63 A 63 ASP middle . . 64 A 64 VAL middle . . 65 A 65 ALA middle . . 66 A 66 GLY middle . false 67 A 67 ARG middle . . 68 A 68 VAL middle . . 69 A 69 ASP middle . . 70 A 70 THR middle . . 71 A 71 PRO middle . false 72 A 72 ARG middle . . 73 A 73 GLU middle . . 74 A 74 LEU middle . . 75 A 75 LEU middle . . 76 A 76 ASP middle . . 77 A 77 LEU middle . . 78 A 78 ILE middle . . 79 A 79 ASN middle . . 80 A 80 GLY middle . false 81 A 81 ALA middle . . 82 A 82 LEU middle . . 83 A 83 ALA middle . . 84 A 84 GLU middle . . 85 A 85 ALA middle . . 86 A 86 ALA end . . stop_ save_ save_act_apo_ACP_shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode act_apo_ACP_shifts loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 4.297 0 A 2 ALA HB% H 1 1.658 0 A 2 ALA C C 13 173.708 0 A 2 ALA CA C 13 51.945 0 A 2 ALA CB C 13 19.979 0 A 3 THR H H 1 8.680 0 A 3 THR HA H 1 4.411 0 A 3 THR HB H 1 4.203 0 A 3 THR HG2% H 1 1.392 0 A 3 THR C C 13 172.914 0 A 3 THR CA C 13 62.665 0 A 3 THR CB C 13 69.902 0 A 3 THR CG2 C 13 22.044 0 A 3 THR N N 15 117.458 0 A 4 LEU H H 1 8.145 0 A 4 LEU HA H 1 4.384 0 A 4 LEU HBy H 1 1.616 0 A 4 LEU HBx H 1 1.500 0 A 4 LEU HDx% H 1 0.896 0 A 4 LEU HDy% H 1 0.967 0 A 4 LEU HG H 1 1.718 0 A 4 LEU C C 13 177.176 0 A 4 LEU CA C 13 54.765 0 A 4 LEU CB C 13 42.790 0 A 4 LEU CDx C 13 23.620 0 A 4 LEU CDy C 13 25.194 0 A 4 LEU CG C 13 27.342 0 A 4 LEU N N 15 124.380 0 A 5 LEU H H 1 9.419 0 A 5 LEU HA H 1 4.536 0 A 5 LEU HBy H 1 1.611 0 A 5 LEU HBx H 1 1.336 0 A 5 LEU HDx% H 1 0.643 0 A 5 LEU HDy% H 1 0.681 0 A 5 LEU HG H 1 1.583 0 A 5 LEU C C 13 177.849 0 A 5 LEU CA C 13 55.488 0 A 5 LEU CB C 13 42.700 0 A 5 LEU CDy C 13 25.823 0 A 5 LEU CDx C 13 25.602 0 A 5 LEU CG C 13 27.666 0 A 5 LEU N N 15 124.415 0 A 6 THR H H 1 8.995 0 A 6 THR HA H 1 4.783 0 A 6 THR HB H 1 4.869 0 A 6 THR HG2% H 1 1.430 0 A 6 THR C C 13 175.943 0 A 6 THR CA C 13 59.961 0 A 6 THR CB C 13 72.429 0 A 6 THR CG2 C 13 21.711 0 A 6 THR N N 15 114.757 0 A 7 THR H H 1 8.851 0 A 7 THR HA H 1 3.881 0 A 7 THR HB H 1 4.338 0 A 7 THR HG2% H 1 1.404 0 A 7 THR C C 13 176.566 0 A 7 THR CA C 13 67.277 0 A 7 THR CB C 13 68.542 0 A 7 THR CG2 C 13 23.499 0 A 7 THR N N 15 115.540 0 A 8 ASP H H 1 8.279 0 A 8 ASP HA H 1 4.638 0 A 8 ASP HBx H 1 2.729 0 A 8 ASP HBy H 1 2.729 0 A 8 ASP C C 13 178.553 0 A 8 ASP CA C 13 57.738 0 A 8 ASP CB C 13 41.219 0 A 8 ASP N N 15 119.967 0 A 9 ASP H H 1 7.905 0 A 9 ASP HA H 1 4.573 0 A 9 ASP HBy H 1 3.050 0 A 9 ASP HBx H 1 2.718 0 A 9 ASP C C 13 179.411 0 A 9 ASP CA C 13 57.667 0 A 9 ASP CB C 13 41.453 0 A 9 ASP N N 15 120.222 0 A 10 LEU H H 1 8.097 0 A 10 LEU HA H 1 4.225 0 A 10 LEU HBy H 1 2.354 0 A 10 LEU HBx H 1 1.577 0 A 10 LEU HDx% H 1 1.057 0 A 10 LEU HDy% H 1 1.139 0 A 10 LEU HG H 1 1.905 0 A 10 LEU C C 13 177.475 0 A 10 LEU CA C 13 57.959 0 A 10 LEU CB C 13 42.013 0 A 10 LEU CDx C 13 23.593 0 A 10 LEU CDy C 13 28.016 0 A 10 LEU CG C 13 27.523 0 A 10 LEU N N 15 121.315 0 A 11 ARG H H 1 8.841 0 A 11 ARG HA H 1 3.524 0 A 11 ARG HBx H 1 2.056 0 A 11 ARG HBy H 1 2.056 0 A 11 ARG HDy H 1 3.242 0 A 11 ARG HDx H 1 3.185 0 A 11 ARG HE H 1 7.312 0 A 11 ARG HGy H 1 1.406 0 A 11 ARG HGx H 1 1.149 0 A 11 ARG C C 13 177.728 0 A 11 ARG CA C 13 60.662 0 A 11 ARG CB C 13 30.618 0 A 11 ARG CD C 13 43.562 0 A 11 ARG CG C 13 27.508 0 A 11 ARG CZ C 13 159.523 0 A 11 ARG N N 15 119.774 0 A 11 ARG NE N 15 83.602 0 A 12 ARG H H 1 7.988 0 A 12 ARG HA H 1 4.041 0 A 12 ARG HBx H 1 2.040 0 A 12 ARG HBy H 1 2.040 0 A 12 ARG HDy H 1 3.381 0 A 12 ARG HDx H 1 3.325 0 A 12 ARG HE H 1 7.523 0 A 12 ARG HGy H 1 1.936 0 A 12 ARG HGx H 1 1.705 0 A 12 ARG C C 13 178.452 0 A 12 ARG CA C 13 59.748 0 A 12 ARG CB C 13 30.414 0 A 12 ARG CD C 13 43.614 0 A 12 ARG CG C 13 28.281 0 A 12 ARG CZ C 13 159.648 0 A 12 ARG N N 15 115.529 0 A 12 ARG NE N 15 85.054 0 A 13 ALA H H 1 7.722 0 A 13 ALA HA H 1 4.412 0 A 13 ALA HB% H 1 1.681 0 A 13 ALA C C 13 180.069 0 A 13 ALA CA C 13 54.990 0 A 13 ALA CB C 13 18.654 0 A 13 ALA N N 15 119.900 0 A 14 LEU H H 1 8.419 0 A 14 LEU HA H 1 4.418 0 A 14 LEU HBy H 1 2.005 0 A 14 LEU HBx H 1 1.431 0 A 14 LEU HDx% H 1 0.777 0 A 14 LEU HDy% H 1 0.917 0 A 14 LEU HG H 1 1.892 0 A 14 LEU C C 13 180.574 0 A 14 LEU CA C 13 57.488 0 A 14 LEU CB C 13 42.008 0 A 14 LEU CDx C 13 23.307 0 A 14 LEU CDy C 13 26.750 0 A 14 LEU CG C 13 27.145 0 A 14 LEU N N 15 119.013 0 A 15 VAL H H 1 8.501 0 A 15 VAL HA H 1 3.929 0 A 15 VAL HB H 1 2.284 0 A 15 VAL HGx% H 1 1.053 0 A 15 VAL HGy% H 1 1.129 0 A 15 VAL C C 13 178.956 0 A 15 VAL CA C 13 66.056 0 A 15 VAL CB C 13 32.053 0 A 15 VAL CGx C 13 21.435 0 A 15 VAL CGy C 13 22.733 0 A 15 VAL N N 15 120.534 0 A 16 GLU H H 1 8.238 0 A 16 GLU HA H 1 4.216 0 A 16 GLU HBy H 1 2.274 0 A 16 GLU HBx H 1 2.154 0 A 16 GLU HGy H 1 2.635 0 A 16 GLU HGx H 1 2.410 0 A 16 GLU C C 13 178.530 0 A 16 GLU CA C 13 58.963 0 A 16 GLU CB C 13 29.866 0 A 16 GLU CG C 13 36.748 0 A 16 GLU N N 15 119.771 0 A 17 SER H H 1 7.808 0 A 17 SER HA H 1 4.581 0 A 17 SER HBy H 1 4.151 0 A 17 SER HBx H 1 4.072 0 A 17 SER C C 13 174.239 0 A 17 SER CA C 13 59.839 0 A 17 SER CB C 13 64.127 0 A 17 SER N N 15 113.608 0 A 18 ALA H H 1 7.809 0 A 18 ALA HA H 1 4.358 0 A 18 ALA HB% H 1 1.553 0 A 18 ALA C C 13 178.239 0 A 18 ALA CA C 13 52.975 0 A 18 ALA CB C 13 19.808 0 A 18 ALA N N 15 123.180 0 A 19 GLY H H 1 8.241 0 A 19 GLY HAx H 1 4.060 0 A 19 GLY HAy H 1 4.060 0 A 19 GLY C C 13 174.390 0 A 19 GLY CA C 13 45.570 0 A 19 GLY N N 15 107.414 0 A 20 GLU H H 1 8.501 0 A 20 GLU HA H 1 4.481 0 A 20 GLU HBy H 1 2.241 0 A 20 GLU HBx H 1 2.078 0 A 20 GLU HGy H 1 2.412 0 A 20 GLU HGx H 1 2.411 0 A 20 GLU C C 13 176.860 0 A 20 GLU CA C 13 56.810 0 A 20 GLU CB C 13 30.060 0 A 20 GLU CG C 13 35.894 0 A 20 GLU N N 15 120.517 0 A 21 THR H H 1 8.251 0 A 21 THR HA H 1 4.526 0 A 21 THR HB H 1 4.387 0 A 21 THR HG2% H 1 1.257 0 A 21 THR C C 13 174.520 0 A 21 THR CA C 13 61.836 0 A 21 THR CB C 13 70.007 0 A 21 THR CG2 C 13 21.618 0 A 21 THR N N 15 113.989 0 A 22 ASP H H 1 8.497 0 A 22 ASP HA H 1 4.737 0 A 22 ASP HBy H 1 2.842 0 A 22 ASP HBx H 1 2.841 0 A 22 ASP C C 13 176.877 0 A 22 ASP CA C 13 54.739 0 A 22 ASP CB C 13 41.047 0 A 22 ASP N N 15 122.136 0 A 23 GLY H H 1 8.499 0 A 23 GLY HAx H 1 4.087 0 A 23 GLY HAy H 1 4.087 0 A 23 GLY C C 13 174.775 0 A 23 GLY CA C 13 45.815 0 A 23 GLY N N 15 109.353 0 A 24 THR H H 1 8.151 0 A 24 THR HA H 1 4.345 0 A 24 THR HB H 1 4.239 0 A 24 THR HG2% H 1 1.296 0 A 24 THR C C 13 174.220 0 A 24 THR CA C 13 63.084 0 A 24 THR CB C 13 69.889 0 A 24 THR CG2 C 13 21.723 0 A 24 THR N N 15 115.906 0 A 25 ASP H H 1 8.617 0 A 25 ASP HA H 1 4.726 0 A 25 ASP HBy H 1 2.893 0 A 25 ASP HBx H 1 2.769 0 A 25 ASP C C 13 176.172 0 A 25 ASP CA C 13 54.459 0 A 25 ASP CB C 13 41.038 0 A 25 ASP N N 15 123.841 0 A 26 LEU H H 1 8.468 0 A 26 LEU HA H 1 4.375 0 A 26 LEU HBy H 1 1.452 0 A 26 LEU HBx H 1 1.230 0 A 26 LEU HDx% H 1 0.710 0 A 26 LEU HDy% H 1 0.813 0 A 26 LEU HG H 1 1.589 0 A 26 LEU C C 13 176.307 0 A 26 LEU CA C 13 54.128 0 A 26 LEU CB C 13 41.100 0 A 26 LEU CDx C 13 23.334 0 A 26 LEU CDy C 13 26.383 0 A 26 LEU CG C 13 26.790 0 A 26 LEU N N 15 123.615 0 A 27 SER H H 1 8.207 0 A 27 SER HA H 1 4.303 0 A 27 SER HBy H 1 4.034 0 A 27 SER HBx H 1 3.994 0 A 27 SER C C 13 175.019 0 A 27 SER CA C 13 59.818 0 A 27 SER CB C 13 64.198 0 A 27 SER N N 15 115.102 0 A 28 GLY H H 1 8.581 0 A 28 GLY HAy H 1 4.244 0 A 28 GLY HAx H 1 3.890 0 A 28 GLY C C 13 174.264 0 A 28 GLY CA C 13 45.393 0 A 28 GLY N N 15 111.287 0 A 29 ASP H H 1 8.680 0 A 29 ASP HA H 1 4.859 0 A 29 ASP HBy H 1 2.904 0 A 29 ASP HBx H 1 2.687 0 A 29 ASP C C 13 176.461 0 A 29 ASP CA C 13 54.284 0 A 29 ASP CB C 13 39.716 0 A 29 ASP N N 15 123.263 0 A 30 PHE H H 1 8.064 0 A 30 PHE HA H 1 4.766 0 A 30 PHE HBy H 1 3.301 0 A 30 PHE HBx H 1 3.015 0 A 30 PHE HDx H 1 7.322 0 A 30 PHE HDy H 1 7.322 0 A 30 PHE HEy H 1 7.221 0 A 30 PHE HEx H 1 7.220 0 A 30 PHE HZ H 1 7.360 0 A 30 PHE C C 13 175.486 0 A 30 PHE CA C 13 57.460 0 A 30 PHE CB C 13 40.521 0 A 30 PHE CDx C 13 132.295 0 A 30 PHE CDy C 13 132.295 0 A 30 PHE CEx C 13 130.407 0 A 30 PHE CEy C 13 130.407 0 A 30 PHE CZ C 13 128.759 0 A 30 PHE N N 15 122.340 0 A 31 LEU H H 1 7.535 0 A 31 LEU HA H 1 3.309 0 A 31 LEU HBy H 1 1.649 0 A 31 LEU HBx H 1 1.030 0 A 31 LEU HDx% H 1 0.459 0 A 31 LEU HDy% H 1 0.791 0 A 31 LEU HG H 1 1.209 0 A 31 LEU C C 13 176.442 0 A 31 LEU CA C 13 57.841 0 A 31 LEU CB C 13 42.121 0 A 31 LEU CDx C 13 23.931 0 A 31 LEU CDy C 13 25.324 0 A 31 LEU CG C 13 26.978 0 A 31 LEU N N 15 118.974 0 A 32 ASP H H 1 8.081 0 A 32 ASP HA H 1 5.057 0 A 32 ASP HBy H 1 3.043 0 A 32 ASP HBx H 1 2.370 0 A 32 ASP C C 13 176.035 0 A 32 ASP CA C 13 53.745 0 A 32 ASP CB C 13 41.757 0 A 32 ASP N N 15 111.858 0 A 33 LEU H H 1 7.223 0 A 33 LEU HA H 1 4.315 0 A 33 LEU HBy H 1 1.787 0 A 33 LEU HBx H 1 1.415 0 A 33 LEU HDx% H 1 0.967 0 A 33 LEU HDy% H 1 1.082 0 A 33 LEU HG H 1 1.794 0 A 33 LEU C C 13 174.834 0 A 33 LEU CA C 13 54.484 0 A 33 LEU CB C 13 42.469 0 A 33 LEU CDx C 13 22.403 0 A 33 LEU CDy C 13 26.148 0 A 33 LEU CG C 13 27.090 0 A 33 LEU N N 15 122.072 0 A 34 ARG H H 1 8.486 0 A 34 ARG HA H 1 4.746 0 A 34 ARG HBy H 1 2.174 0 A 34 ARG HBx H 1 1.874 0 A 34 ARG HDy H 1 3.459 0 A 34 ARG HDx H 1 3.358 0 A 34 ARG HE H 1 8.052 0 A 34 ARG HGy H 1 1.950 0 A 34 ARG HGx H 1 1.627 0 A 34 ARG C C 13 179.695 0 A 34 ARG CA C 13 55.460 0 A 34 ARG CB C 13 29.981 0 A 34 ARG CD C 13 43.520 0 A 34 ARG CG C 13 28.421 0 A 34 ARG CZ C 13 159.963 0 A 34 ARG N N 15 116.268 0 A 34 ARG NE N 15 85.180 0 A 35 PHE H H 1 8.453 0 A 35 PHE HA H 1 4.398 0 A 35 PHE HBy H 1 3.623 0 A 35 PHE HBx H 1 3.103 0 A 35 PHE HDx H 1 7.131 0 A 35 PHE HDy H 1 7.131 0 A 35 PHE HEx H 1 6.937 0 A 35 PHE HEy H 1 6.937 0 A 35 PHE HZ H 1 6.892 0 A 35 PHE C C 13 178.728 0 A 35 PHE CA C 13 62.994 0 A 35 PHE CB C 13 37.964 0 A 35 PHE CDx C 13 131.136 0 A 35 PHE CDy C 13 131.136 0 A 35 PHE CEx C 13 131.005 0 A 35 PHE CEy C 13 131.005 0 A 35 PHE CZ C 13 127.620 0 A 35 PHE N N 15 123.273 0 A 36 GLU H H 1 9.540 0 A 36 GLU HA H 1 4.357 0 A 36 GLU HBy H 1 2.272 0 A 36 GLU HBx H 1 2.138 0 A 36 GLU HGx H 1 2.491 0 A 36 GLU HGy H 1 2.491 0 A 36 GLU C C 13 178.636 0 A 36 GLU CA C 13 59.160 0 A 36 GLU CB C 13 29.610 0 A 36 GLU CG C 13 35.906 0 A 36 GLU N N 15 117.074 0 A 37 ASP H H 1 7.532 0 A 37 ASP HA H 1 4.811 0 A 37 ASP HBy H 1 3.099 0 A 37 ASP HBx H 1 3.004 0 A 37 ASP C C 13 177.974 0 A 37 ASP CA C 13 56.496 0 A 37 ASP CB C 13 41.271 0 A 37 ASP N N 15 118.229 0 A 38 ILE H H 1 7.728 0 A 38 ILE HA H 1 4.676 0 A 38 ILE HB H 1 2.473 0 A 38 ILE HD1% H 1 0.892 0 A 38 ILE HG1y H 1 1.830 0 A 38 ILE HG1x H 1 1.568 0 A 38 ILE HG2% H 1 1.079 0 A 38 ILE C C 13 176.102 0 A 38 ILE CA C 13 61.973 0 A 38 ILE CB C 13 38.682 0 A 38 ILE CD1 C 13 13.878 0 A 38 ILE CG1 C 13 27.293 0 A 38 ILE CG2 C 13 18.730 0 A 38 ILE N N 15 112.806 0 A 39 GLY H H 1 7.735 0 A 39 GLY HAy H 1 4.271 0 A 39 GLY HAx H 1 3.898 0 A 39 GLY C C 13 174.444 0 A 39 GLY CA C 13 46.438 0 A 39 GLY N N 15 107.120 0 A 40 TYR H H 1 8.081 0 A 40 TYR HA H 1 4.586 0 A 40 TYR HBy H 1 3.008 0 A 40 TYR HBx H 1 2.821 0 A 40 TYR HDx H 1 6.976 0 A 40 TYR HDy H 1 6.976 0 A 40 TYR HEx H 1 6.737 0 A 40 TYR HEy H 1 6.738 0 A 40 TYR C C 13 174.461 0 A 40 TYR CA C 13 58.185 0 A 40 TYR CB C 13 40.424 0 A 40 TYR CDx C 13 132.028 0 A 40 TYR CDy C 13 132.028 0 A 40 TYR CEx C 13 118.085 0 A 40 TYR CEy C 13 118.085 0 A 40 TYR N N 15 121.688 0 A 41 ASP H H 1 8.040 0 A 41 ASP HA H 1 4.727 0 A 41 ASP HBy H 1 3.211 0 A 41 ASP HBx H 1 2.832 0 A 41 ASP C C 13 175.980 0 A 41 ASP CA C 13 52.812 0 A 41 ASP CB C 13 42.068 0 A 41 ASP N N 15 124.041 0 A 42 SER H H 1 8.561 0 A 42 SER HA H 1 4.198 0 A 42 SER HBy H 1 4.058 0 A 42 SER HBx H 1 4.011 0 A 42 SER C C 13 176.472 0 A 42 SER CA C 13 62.309 0 A 42 SER CB C 13 62.943 0 A 42 SER N N 15 114.493 0 A 43 LEU H H 1 7.804 0 A 43 LEU HA H 1 4.270 0 A 43 LEU HBy H 1 1.908 0 A 43 LEU HBx H 1 1.777 0 A 43 LEU HDx% H 1 1.002 0 A 43 LEU HDy% H 1 1.066 0 A 43 LEU HG H 1 1.768 0 A 43 LEU C C 13 179.551 0 A 43 LEU CA C 13 58.369 0 A 43 LEU CB C 13 41.057 0 A 43 LEU CDx C 13 24.116 0 A 43 LEU CDy C 13 24.582 0 A 43 LEU CG C 13 27.524 0 A 43 LEU N N 15 122.459 0 A 44 ALA H H 1 8.064 0 A 44 ALA HA H 1 4.334 0 A 44 ALA HB% H 1 1.528 0 A 44 ALA C C 13 181.733 0 A 44 ALA CA C 13 54.987 0 A 44 ALA CB C 13 18.500 0 A 44 ALA N N 15 123.223 0 A 45 LEU H H 1 8.422 0 A 45 LEU HA H 1 3.907 0 A 45 LEU HBy H 1 1.657 0 A 45 LEU HBx H 1 1.555 0 A 45 LEU HDx% H 1 0.211 0 A 45 LEU HDy% H 1 0.393 0 A 45 LEU HG H 1 1.366 0 A 45 LEU C C 13 178.613 0 A 45 LEU CA C 13 58.419 0 A 45 LEU CB C 13 41.643 0 A 45 LEU CDx C 13 23.345 0 A 45 LEU CDy C 13 23.829 0 A 45 LEU CG C 13 27.077 0 A 45 LEU N N 15 121.714 0 A 46 MET H H 1 8.344 0 A 46 MET HA H 1 4.259 0 A 46 MET HBy H 1 2.369 0 A 46 MET HBx H 1 2.264 0 A 46 MET HGy H 1 2.878 0 A 46 MET HGx H 1 2.767 0 A 46 MET C C 13 179.856 0 A 46 MET CA C 13 58.769 0 A 46 MET CB C 13 32.022 0 A 46 MET CG C 13 32.343 0 A 46 MET N N 15 119.039 0 A 47 GLU H H 1 8.414 0 A 47 GLU HA H 1 4.257 0 A 47 GLU HBy H 1 2.346 0 A 47 GLU HBx H 1 2.227 0 A 47 GLU HGy H 1 2.588 0 A 47 GLU HGx H 1 2.468 0 A 47 GLU C C 13 179.208 0 A 47 GLU CA C 13 59.504 0 A 47 GLU CB C 13 29.229 0 A 47 GLU CG C 13 35.805 0 A 47 GLU N N 15 121.231 0 A 48 THR H H 1 8.329 0 A 48 THR HA H 1 3.962 0 A 48 THR HB H 1 4.432 0 A 48 THR HG2% H 1 1.138 0 A 48 THR C C 13 176.334 0 A 48 THR CA C 13 67.882 0 A 48 THR CB C 13 68.478 0 A 48 THR CG2 C 13 20.767 0 A 48 THR N N 15 118.600 0 A 49 ALA H H 1 8.756 0 A 49 ALA HA H 1 3.963 0 A 49 ALA HB% H 1 1.540 0 A 49 ALA C C 13 178.615 0 A 49 ALA CA C 13 56.227 0 A 49 ALA CB C 13 17.499 0 A 49 ALA N N 15 123.599 0 A 50 ALA H H 1 8.191 0 A 50 ALA HA H 1 4.281 0 A 50 ALA HB% H 1 1.672 0 A 50 ALA C C 13 181.272 0 A 50 ALA CA C 13 55.488 0 A 50 ALA CB C 13 18.107 0 A 50 ALA N N 15 119.558 0 A 51 ARG H H 1 8.146 0 A 51 ARG HA H 1 4.257 0 A 51 ARG HBy H 1 2.203 0 A 51 ARG HBx H 1 2.040 0 A 51 ARG HDy H 1 3.450 0 A 51 ARG HDx H 1 3.322 0 A 51 ARG HE H 1 7.591 0 A 51 ARG HGy H 1 1.994 0 A 51 ARG HGx H 1 1.756 0 A 51 ARG C C 13 179.815 0 A 51 ARG CA C 13 59.591 0 A 51 ARG CB C 13 30.400 0 A 51 ARG CD C 13 43.635 0 A 51 ARG CG C 13 28.281 0 A 51 ARG CZ C 13 159.701 0 A 51 ARG N N 15 119.722 0 A 51 ARG NE N 15 85.014 0 A 52 LEU H H 1 8.432 0 A 52 LEU HA H 1 4.330 0 A 52 LEU HBy H 1 2.223 0 A 52 LEU HBx H 1 1.453 0 A 52 LEU HDx% H 1 0.876 0 A 52 LEU HDy% H 1 1.052 0 A 52 LEU HG H 1 2.060 0 A 52 LEU C C 13 179.152 0 A 52 LEU CA C 13 58.139 0 A 52 LEU CB C 13 42.615 0 A 52 LEU CDy C 13 26.444 0 A 52 LEU CDx C 13 23.537 0 A 52 LEU CG C 13 26.704 0 A 52 LEU N N 15 120.470 0 A 53 GLU H H 1 8.989 0 A 53 GLU HA H 1 4.105 0 A 53 GLU HBy H 1 2.517 0 A 53 GLU HBx H 1 2.377 0 A 53 GLU HGy H 1 2.750 0 A 53 GLU HGx H 1 2.302 0 A 53 GLU C C 13 179.370 0 A 53 GLU CA C 13 60.145 0 A 53 GLU CB C 13 29.184 0 A 53 GLU CG C 13 34.938 0 A 53 GLU N N 15 119.668 0 A 54 SER H H 1 8.028 0 A 54 SER HA H 1 4.392 0 A 54 SER HBx H 1 4.124 0 A 54 SER HBy H 1 4.124 0 A 54 SER C C 13 176.891 0 A 54 SER CA C 13 61.162 0 A 54 SER CB C 13 63.222 0 A 54 SER N N 15 112.842 0 A 55 ARG H H 1 8.070 0 A 55 ARG HA H 1 4.111 0 A 55 ARG HBy H 1 1.906 0 A 55 ARG HBx H 1 1.631 0 A 55 ARG HDy H 1 3.104 0 A 55 ARG HDx H 1 3.037 0 A 55 ARG HE H 1 7.194 0 A 55 ARG HGy H 1 1.378 0 A 55 ARG HGx H 1 1.006 0 A 55 ARG C C 13 177.830 0 A 55 ARG CA C 13 58.824 0 A 55 ARG CB C 13 30.829 0 A 55 ARG CD C 13 43.550 0 A 55 ARG CG C 13 26.971 0 A 55 ARG CZ C 13 159.974 0 A 55 ARG N N 15 120.550 0 A 55 ARG NE N 15 84.917 0 A 56 TYR H H 1 8.171 0 A 56 TYR HA H 1 4.685 0 A 56 TYR HBy H 1 3.462 0 A 56 TYR HBx H 1 2.801 0 A 56 TYR HDx H 1 7.450 0 A 56 TYR HDy H 1 7.450 0 A 56 TYR HEx H 1 6.824 0 A 56 TYR HEy H 1 6.824 0 A 56 TYR C C 13 176.027 0 A 56 TYR CA C 13 59.110 0 A 56 TYR CB C 13 39.339 0 A 56 TYR CDx C 13 132.844 0 A 56 TYR CDy C 13 132.844 0 A 56 TYR CEx C 13 118.016 0 A 56 TYR CEy C 13 118.016 0 A 56 TYR N N 15 113.561 0 A 57 GLY H H 1 7.998 0 A 57 GLY HAx H 1 4.105 0 A 57 GLY HAy H 1 4.105 0 A 57 GLY C C 13 174.600 0 A 57 GLY CA C 13 47.349 0 A 57 GLY N N 15 109.470 0 A 58 VAL H H 1 7.515 0 A 58 VAL HA H 1 4.694 0 A 58 VAL HB H 1 2.142 0 A 58 VAL HGx% H 1 0.933 0 A 58 VAL HGy% H 1 0.981 0 A 58 VAL C C 13 174.016 0 A 58 VAL CA C 13 59.282 0 A 58 VAL CB C 13 34.791 0 A 58 VAL CGx C 13 19.532 0 A 58 VAL CGy C 13 21.556 0 A 58 VAL N N 15 112.406 0 A 59 SER H H 1 8.489 0 A 59 SER HA H 1 4.847 0 A 59 SER HBy H 1 3.809 0 A 59 SER HBx H 1 3.763 0 A 59 SER C C 13 173.643 0 A 59 SER CA C 13 57.213 0 A 59 SER CB C 13 64.285 0 A 59 SER N N 15 116.724 0 A 60 ILE H H 1 8.224 0 A 60 ILE HA H 1 4.676 0 A 60 ILE HB H 1 1.796 0 A 60 ILE HD1% H 1 0.852 0 A 60 ILE HG1y H 1 1.486 0 A 60 ILE HG1x H 1 1.125 0 A 60 ILE HG2% H 1 1.032 0 A 60 ILE CA C 13 57.702 0 A 60 ILE CB C 13 40.520 0 A 60 ILE CD1 C 13 13.966 0 A 60 ILE CG1 C 13 27.117 0 A 60 ILE CG2 C 13 17.401 0 A 60 ILE N N 15 125.582 0 A 61 PRO HA H 1 4.543 0 A 61 PRO HBy H 1 2.563 0 A 61 PRO HBx H 1 2.065 0 A 61 PRO HDy H 1 4.022 0 A 61 PRO HDx H 1 3.581 0 A 61 PRO HGx H 1 2.157 0 A 61 PRO HGy H 1 2.157 0 A 61 PRO C C 13 177.547 0 A 61 PRO CA C 13 63.523 0 A 61 PRO CB C 13 32.704 0 A 61 PRO CD C 13 51.450 0 A 61 PRO CG C 13 27.965 0 A 62 ASP H H 1 8.857 0 A 62 ASP HA H 1 4.447 0 A 62 ASP HBy H 1 2.839 0 A 62 ASP HBx H 1 2.753 0 A 62 ASP C C 13 177.504 0 A 62 ASP CA C 13 57.105 0 A 62 ASP CB C 13 40.668 0 A 62 ASP N N 15 123.624 0 A 63 ASP H H 1 8.691 0 A 63 ASP HA H 1 4.508 0 A 63 ASP HBy H 1 2.786 0 A 63 ASP HBx H 1 2.777 0 A 63 ASP C C 13 177.468 0 A 63 ASP CA C 13 55.267 0 A 63 ASP CB C 13 39.691 0 A 63 ASP N N 15 116.744 0 A 64 VAL H H 1 7.388 0 A 64 VAL HA H 1 3.789 0 A 64 VAL HB H 1 2.215 0 A 64 VAL HGx% H 1 0.991 0 A 64 VAL HGy% H 1 1.056 0 A 64 VAL C C 13 177.793 0 A 64 VAL CA C 13 65.251 0 A 64 VAL CB C 13 32.347 0 A 64 VAL CGx C 13 21.311 0 A 64 VAL CGy C 13 22.060 0 A 64 VAL N N 15 119.303 0 A 65 ALA H H 1 8.212 0 A 65 ALA HA H 1 3.967 0 A 65 ALA HB% H 1 1.394 0 A 65 ALA C C 13 178.005 0 A 65 ALA CA C 13 55.196 0 A 65 ALA CB C 13 18.373 0 A 65 ALA N N 15 122.060 0 A 66 GLY H H 1 7.995 0 A 66 GLY HAy H 1 4.133 0 A 66 GLY HAx H 1 3.912 0 A 66 GLY C C 13 174.615 0 A 66 GLY CA C 13 45.925 0 A 66 GLY N N 15 99.445 0 A 67 ARG H H 1 7.478 0 A 67 ARG HA H 1 4.659 0 A 67 ARG HBy H 1 2.084 0 A 67 ARG HBx H 1 1.901 0 A 67 ARG HDx H 1 3.271 0 A 67 ARG HDy H 1 3.291 0 A 67 ARG HE H 1 7.366 0 A 67 ARG HGx H 1 1.785 0 A 67 ARG HGy H 1 1.785 0 A 67 ARG C C 13 176.470 0 A 67 ARG CA C 13 55.647 0 A 67 ARG CB C 13 31.843 0 A 67 ARG CD C 13 43.819 0 A 67 ARG CG C 13 27.462 0 A 67 ARG CZ C 13 159.687 0 A 67 ARG N N 15 116.761 0 A 67 ARG NE N 15 85.094 0 A 68 VAL H H 1 7.244 0 A 68 VAL HA H 1 4.437 0 A 68 VAL HB H 1 2.427 0 A 68 VAL HGx% H 1 1.157 0 A 68 VAL HGy% H 1 1.247 0 A 68 VAL C C 13 175.250 0 A 68 VAL CA C 13 61.919 0 A 68 VAL CB C 13 33.329 0 A 68 VAL CGx C 13 20.122 0 A 68 VAL CGy C 13 23.235 0 A 68 VAL N N 15 114.725 0 A 69 ASP H H 1 9.180 0 A 69 ASP HA H 1 5.272 0 A 69 ASP HBy H 1 3.023 0 A 69 ASP HBx H 1 2.890 0 A 69 ASP C C 13 177.035 0 A 69 ASP CA C 13 55.862 0 A 69 ASP CB C 13 44.421 0 A 69 ASP N N 15 120.929 0 A 70 THR H H 1 7.490 0 A 70 THR HA H 1 4.969 0 A 70 THR HB H 1 4.638 0 A 70 THR HG2% H 1 1.100 0 A 70 THR CA C 13 57.776 0 A 70 THR CB C 13 71.416 0 A 70 THR CG2 C 13 21.715 0 A 70 THR N N 15 107.879 0 A 71 PRO HA H 1 4.247 0 A 71 PRO HBy H 1 2.260 0 A 71 PRO HBx H 1 2.023 0 A 71 PRO HDy H 1 4.035 0 A 71 PRO HDx H 1 2.790 0 A 71 PRO HGy H 1 2.206 0 A 71 PRO HGx H 1 1.341 0 A 71 PRO C C 13 177.413 0 A 71 PRO CA C 13 65.812 0 A 71 PRO CB C 13 32.647 0 A 71 PRO CD C 13 51.863 0 A 71 PRO CG C 13 26.702 0 A 72 ARG H H 1 9.000 0 A 72 ARG HA H 1 3.619 0 A 72 ARG HBy H 1 1.875 0 A 72 ARG HBx H 1 1.618 0 A 72 ARG HDy H 1 3.509 0 A 72 ARG HDx H 1 3.026 0 A 72 ARG HE H 1 9.075 0 A 72 ARG HGy H 1 1.675 0 A 72 ARG HGx H 1 1.524 0 A 72 ARG HH1x H 1 6.907 0 A 72 ARG HH1y H 1 6.907 0 A 72 ARG HH2x H 1 6.907 0 A 72 ARG HH2y H 1 6.907 0 A 72 ARG C C 13 177.530 0 A 72 ARG CA C 13 60.211 0 A 72 ARG CB C 13 30.433 0 A 72 ARG CD C 13 42.916 0 A 72 ARG CG C 13 27.614 0 A 72 ARG CZ C 13 159.425 0 A 72 ARG N N 15 117.747 0 A 72 ARG NE N 15 83.507 0 A 72 ARG NHx N 15 71.208 0 A 72 ARG NHy N 15 71.208 0 A 73 GLU H H 1 7.840 0 A 73 GLU HA H 1 4.245 0 A 73 GLU HBy H 1 2.478 0 A 73 GLU HBx H 1 2.287 0 A 73 GLU HGy H 1 2.657 0 A 73 GLU HGx H 1 2.484 0 A 73 GLU C C 13 180.139 0 A 73 GLU CA C 13 59.071 0 A 73 GLU CB C 13 30.230 0 A 73 GLU CG C 13 36.646 0 A 73 GLU N N 15 116.639 0 A 74 LEU H H 1 7.693 0 A 74 LEU HA H 1 4.324 0 A 74 LEU HBy H 1 2.433 0 A 74 LEU HBx H 1 1.718 0 A 74 LEU HDx% H 1 1.078 0 A 74 LEU HDy% H 1 1.078 0 A 74 LEU HG H 1 0.995 0 A 74 LEU C C 13 177.000 0 A 74 LEU CA C 13 58.123 0 A 74 LEU CB C 13 42.242 0 A 74 LEU CDx C 13 22.444 0 A 74 LEU CDy C 13 22.444 0 A 74 LEU CG C 13 26.291 0 A 74 LEU N N 15 120.218 0 A 75 LEU H H 1 8.731 0 A 75 LEU HA H 1 3.904 0 A 75 LEU HBy H 1 2.211 0 A 75 LEU HBx H 1 1.554 0 A 75 LEU HDx% H 1 0.806 0 A 75 LEU HDy% H 1 0.890 0 A 75 LEU HG H 1 1.705 0 A 75 LEU C C 13 178.122 0 A 75 LEU CA C 13 58.462 0 A 75 LEU CB C 13 42.400 0 A 75 LEU CDx C 13 24.812 0 A 75 LEU CDy C 13 26.501 0 A 75 LEU CG C 13 26.548 0 A 75 LEU N N 15 121.211 0 A 76 ASP H H 1 8.703 0 A 76 ASP HA H 1 4.497 0 A 76 ASP HBy H 1 2.787 0 A 76 ASP HBx H 1 2.724 0 A 76 ASP C C 13 180.101 0 A 76 ASP CA C 13 57.325 0 A 76 ASP CB C 13 39.936 0 A 76 ASP N N 15 117.466 0 A 77 LEU H H 1 8.019 0 A 77 LEU HA H 1 4.282 0 A 77 LEU HBy H 1 2.048 0 A 77 LEU HBx H 1 1.916 0 A 77 LEU HDx% H 1 0.970 0 A 77 LEU HDy% H 1 0.970 0 A 77 LEU HG H 1 1.838 0 A 77 LEU C C 13 179.840 0 A 77 LEU CA C 13 58.417 0 A 77 LEU CB C 13 42.856 0 A 77 LEU CDx C 13 25.149 0 A 77 LEU CDy C 13 25.149 0 A 77 LEU CG C 13 27.078 0 A 77 LEU N N 15 122.891 0 A 78 ILE H H 1 8.281 0 A 78 ILE HA H 1 3.756 0 A 78 ILE HB H 1 1.952 0 A 78 ILE HD1% H 1 0.807 0 A 78 ILE HG1y H 1 1.728 0 A 78 ILE HG1x H 1 1.306 0 A 78 ILE HG2% H 1 0.875 0 A 78 ILE C C 13 177.655 0 A 78 ILE CA C 13 64.638 0 A 78 ILE CB C 13 37.325 0 A 78 ILE CD1 C 13 13.323 0 A 78 ILE CG1 C 13 28.888 0 A 78 ILE CG2 C 13 17.445 0 A 78 ILE N N 15 119.758 0 A 79 ASN H H 1 8.880 0 A 79 ASN HA H 1 4.918 0 A 79 ASN HBy H 1 3.098 0 A 79 ASN HBx H 1 2.781 0 A 79 ASN HD2x H 1 7.327 0 A 79 ASN HD2y H 1 7.668 0 A 79 ASN C C 13 179.481 0 A 79 ASN CA C 13 55.446 0 A 79 ASN CB C 13 37.299 0 A 79 ASN N N 15 117.848 0 A 79 ASN ND2 N 15 107.781 0 A 80 GLY H H 1 8.441 0 A 80 GLY HAx H 1 4.036 0 A 80 GLY HAy H 1 4.036 0 A 80 GLY C C 13 175.746 0 A 80 GLY CA C 13 47.065 0 A 80 GLY N N 15 110.120 0 A 81 ALA H H 1 7.604 0 A 81 ALA HA H 1 4.467 0 A 81 ALA HB% H 1 1.641 0 A 81 ALA C C 13 180.565 0 A 81 ALA CA C 13 54.298 0 A 81 ALA CB C 13 18.530 0 A 81 ALA N N 15 124.070 0 A 82 LEU H H 1 8.299 0 A 82 LEU HA H 1 4.219 0 A 82 LEU HBy H 1 2.027 0 A 82 LEU HBx H 1 1.574 0 A 82 LEU HDx% H 1 0.990 0 A 82 LEU HDy% H 1 0.996 0 A 82 LEU HG H 1 1.853 0 A 82 LEU C C 13 178.837 0 A 82 LEU CA C 13 56.967 0 A 82 LEU CB C 13 42.610 0 A 82 LEU CDy C 13 26.011 0 A 82 LEU CDx C 13 23.880 0 A 82 LEU CG C 13 27.148 0 A 82 LEU N N 15 119.823 0 A 83 ALA H H 1 7.964 0 A 83 ALA HA H 1 4.298 0 A 83 ALA HB% H 1 1.620 0 A 83 ALA C C 13 178.739 0 A 83 ALA CA C 13 53.965 0 A 83 ALA CB C 13 18.917 0 A 83 ALA N N 15 121.306 0 A 84 GLU H H 1 7.746 0 A 84 GLU HA H 1 4.396 0 A 84 GLU HBy H 1 2.284 0 A 84 GLU HBx H 1 2.141 0 A 84 GLU HGx H 1 2.474 0 A 84 GLU HGy H 1 2.540 0 A 84 GLU C C 13 176.347 0 A 84 GLU CA C 13 56.739 0 A 84 GLU CB C 13 30.126 0 A 84 GLU CG C 13 35.968 0 A 84 GLU N N 15 117.080 0 A 85 ALA H H 1 7.832 0 A 85 ALA HA H 1 4.485 0 A 85 ALA HB% H 1 1.585 0 A 85 ALA C C 13 176.564 0 A 85 ALA CA C 13 52.485 0 A 85 ALA CB C 13 19.529 0 A 85 ALA N N 15 124.010 0 A 86 ALA H H 1 7.951 0 A 86 ALA HA H 1 4.235 0 A 86 ALA HB% H 1 1.496 0 A 86 ALA CA C 13 54.184 0 A 86 ALA CB C 13 20.109 0 A 86 ALA N N 15 129.038 0 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 2 ALA C A 3 THR N A 3 THR CA A 3 THR C 1.0 -160.0 -72.0 PHI 2 2 A 4 LEU C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -129.0 -33.0 PHI 3 3 A 5 LEU C A 6 THR N A 6 THR CA A 6 THR C 1.0 -139.0 -59.0 PHI 4 4 A 6 THR C A 7 THR N A 7 THR CA A 7 THR C 1.0 -81.0 -41.0 PHI 5 5 A 7 THR C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -82.0 -42.0 PHI 6 6 A 8 ASP C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -88.0 -48.0 PHI 7 7 A 9 ASP C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -86.0 -46.0 PHI 8 8 A 10 LEU C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -80.0 -40.0 PHI 9 9 A 11 ARG C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -79.0 -39.0 PHI 10 10 A 12 ARG C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -80.0 -40.0 PHI 11 11 A 13 ALA C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -85.0 -45.0 PHI 12 12 A 14 LEU C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -86.0 -46.0 PHI 13 13 A 15 VAL C A 16 GLU N A 16 GLU CA A 16 GLU C 1.0 -86.0 -46.0 PHI 14 14 A 16 GLU C A 17 SER N A 17 SER CA A 17 SER C 1.0 -103.0 -43.0 PHI 15 15 A 26 LEU C A 27 SER N A 27 SER CA A 27 SER C 1.0 -169.0 -13.0 PHI 16 16 A 28 GLY C A 29 ASP N A 29 ASP CA A 29 ASP C 1.0 -183.0 -39.0 PHI 17 17 A 30 PHE C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -85.0 -45.0 PHI 18 18 A 31 LEU C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -138.0 -50.0 PHI 19 19 A 32 ASP C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -149.0 -29.0 PHI 20 20 A 33 LEU C A 34 ARG N A 34 ARG CA A 34 ARG C 1.0 -143.0 -31.0 PHI 21 21 A 34 ARG C A 35 PHE N A 35 PHE CA A 35 PHE C 1.0 -84.0 -44.0 PHI 22 22 A 35 PHE C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -86.0 -46.0 PHI 23 23 A 36 GLU C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -89.0 -49.0 PHI 24 24 A 37 ASP C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -130.0 -70.0 PHI 25 25 A 38 ILE C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 55.0 111.0 PHI 26 26 A 39 GLY C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -152.0 -52.0 PHI 27 27 A 41 ASP C A 42 SER N A 42 SER CA A 42 SER C 1.0 -78.0 -38.0 PHI 28 28 A 42 SER C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -82.0 -42.0 PHI 29 29 A 43 LEU C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -85.0 -45.0 PHI 30 30 A 44 ALA C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -84.0 -44.0 PHI 31 31 A 45 LEU C A 46 MET N A 46 MET CA A 46 MET C 1.0 -84.0 -44.0 PHI 32 32 A 46 MET C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -88.0 -48.0 PHI 33 33 A 47 GLU C A 48 THR N A 48 THR CA A 48 THR C 1.0 -87.0 -47.0 PHI 34 34 A 48 THR C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -82.0 -42.0 PHI 35 35 A 49 ALA C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -81.0 -41.0 PHI 36 36 A 50 ALA C A 51 ARG N A 51 ARG CA A 51 ARG C 1.0 -86.0 -46.0 PHI 37 37 A 51 ARG C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -84.0 -44.0 PHI 38 38 A 52 LEU C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -86.0 -46.0 PHI 39 39 A 53 GLU C A 54 SER N A 54 SER CA A 54 SER C 1.0 -84.0 -44.0 PHI 40 40 A 54 SER C A 55 ARG N A 55 ARG CA A 55 ARG C 1.0 -89.0 -49.0 PHI 41 41 A 55 ARG C A 56 TYR N A 56 TYR CA A 56 TYR C 1.0 -117.0 -77.0 PHI 42 42 A 56 TYR C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 45.0 93.0 PHI 43 43 A 57 GLY C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -167.0 -95.0 PHI 44 44 A 58 VAL C A 59 SER N A 59 SER CA A 59 SER C 1.0 -141.0 -65.0 PHI 45 45 A 59 SER C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -154.0 -54.0 PHI 46 46 A 60 ILE C A 61 PRO N A 61 PRO CA A 61 PRO C 1.0 -80.0 -40.0 PHI 47 47 A 61 PRO C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -77.0 -37.0 PHI 48 48 A 62 ASP C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -86.0 -46.0 PHI 49 49 A 63 ASP C A 64 VAL N A 64 VAL CA A 64 VAL C 1.0 -85.0 -45.0 PHI 50 50 A 64 VAL C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -87.0 -47.0 PHI 51 51 A 69 ASP C A 70 THR N A 70 THR CA A 70 THR C 1.0 -161.0 -57.0 PHI 52 52 A 70 THR C A 71 PRO N A 71 PRO CA A 71 PRO C 1.0 -81.0 -41.0 PHI 53 53 A 71 PRO C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -80.0 -40.0 PHI 54 54 A 72 ARG C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -86.0 -46.0 PHI 55 55 A 73 GLU C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -84.0 -44.0 PHI 56 56 A 74 LEU C A 75 LEU N A 75 LEU CA A 75 LEU C 1.0 -82.0 -42.0 PHI 57 57 A 75 LEU C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -84.0 -44.0 PHI 58 58 A 76 ASP C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -87.0 -47.0 PHI 59 59 A 77 LEU C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -84.0 -44.0 PHI 60 60 A 78 ILE C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -81.0 -41.0 PHI 61 61 A 79 ASN C A 80 GLY N A 80 GLY CA A 80 GLY C 1.0 -89.0 -49.0 PHI 62 62 A 80 GLY C A 81 ALA N A 81 ALA CA A 81 ALA C 1.0 -85.0 -45.0 PHI 63 63 A 81 ALA C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -85.0 -45.0 PHI 64 64 A 82 LEU C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -105.0 -45.0 PHI 65 65 A 3 THR N A 3 THR CA A 3 THR C A 4 LEU N 1.0 108.0 148.0 PSI 66 66 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 THR N 1.0 124.0 164.0 PSI 67 67 A 6 THR N A 6 THR CA A 6 THR C A 7 THR N 1.0 149.0 189.0 PSI 68 68 A 7 THR N A 7 THR CA A 7 THR C A 8 ASP N 1.0 -54.0 -14.0 PSI 69 69 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 ASP N 1.0 -60.0 -20.0 PSI 70 70 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 LEU N 1.0 -62.0 -18.0 PSI 71 71 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 ARG N 1.0 -64.0 -24.0 PSI 72 72 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 ARG N 1.0 -65.0 -25.0 PSI 73 73 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 ALA N 1.0 -62.0 -22.0 PSI 74 74 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 LEU N 1.0 -66.0 -26.0 PSI 75 75 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 VAL N 1.0 -57.0 -17.0 PSI 76 76 A 15 VAL N A 15 VAL CA A 15 VAL C A 16 GLU N 1.0 -65.0 -17.0 PSI 77 77 A 16 GLU N A 16 GLU CA A 16 GLU C A 17 SER N 1.0 -53.0 -13.0 PSI 78 78 A 17 SER N A 17 SER CA A 17 SER C A 18 ALA N 1.0 -63.0 -3.0 PSI 79 79 A 27 SER N A 27 SER CA A 27 SER C A 28 GLY N 1.0 81.0 189.0 PSI 80 80 A 29 ASP N A 29 ASP CA A 29 ASP C A 30 PHE N 1.0 99.0 203.0 PSI 81 81 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 ASP N 1.0 -54.0 2.0 PSI 82 82 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 LEU N 1.0 -69.0 39.0 PSI 83 83 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ARG N 1.0 94.0 202.0 PSI 84 84 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 PHE N 1.0 123.0 183.0 PSI 85 85 A 35 PHE N A 35 PHE CA A 35 PHE C A 36 GLU N 1.0 -52.0 -12.0 PSI 86 86 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ASP N 1.0 -64.0 -24.0 PSI 87 87 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ILE N 1.0 -49.0 -9.0 PSI 88 88 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 GLY N 1.0 -24.0 32.0 PSI 89 89 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 TYR N 1.0 -22.0 50.0 PSI 90 90 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 ASP N 1.0 102.0 162.0 PSI 91 91 A 42 SER N A 42 SER CA A 42 SER C A 43 LEU N 1.0 -59.0 -19.0 PSI 92 92 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 ALA N 1.0 -64.0 -24.0 PSI 93 93 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 LEU N 1.0 -58.0 -18.0 PSI 94 94 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 MET N 1.0 -63.0 -23.0 PSI 95 95 A 46 MET N A 46 MET CA A 46 MET C A 47 GLU N 1.0 -61.0 -21.0 PSI 96 96 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 THR N 1.0 -59.0 -19.0 PSI 97 97 A 48 THR N A 48 THR CA A 48 THR C A 49 ALA N 1.0 -62.0 -22.0 PSI 98 98 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 ALA N 1.0 -61.0 -21.0 PSI 99 99 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ARG N 1.0 -62.0 -22.0 PSI 100 100 A 51 ARG N A 51 ARG CA A 51 ARG C A 52 LEU N 1.0 -64.0 -24.0 PSI 101 101 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 GLU N 1.0 -62.0 -22.0 PSI 102 102 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 SER N 1.0 -61.0 -21.0 PSI 103 103 A 54 SER N A 54 SER CA A 54 SER C A 55 ARG N 1.0 -65.0 -25.0 PSI 104 104 A 55 ARG N A 55 ARG CA A 55 ARG C A 56 TYR N 1.0 -52.0 -12.0 PSI 105 105 A 56 TYR N A 56 TYR CA A 56 TYR C A 57 GLY N 1.0 -23.0 29.0 PSI 106 106 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 VAL N 1.0 -7.0 69.0 PSI 107 107 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 SER N 1.0 136.0 176.0 PSI 108 108 A 59 SER N A 59 SER CA A 59 SER C A 60 ILE N 1.0 104.0 160.0 PSI 109 109 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 PRO N 1.0 97.0 165.0 PSI 110 110 A 61 PRO N A 61 PRO CA A 61 PRO C A 62 ASP N 1.0 114.0 154.0 PSI 111 111 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 ASP N 1.0 -62.0 -2.0 PSI 112 112 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 VAL N 1.0 -55.0 -15.0 PSI 113 113 A 64 VAL N A 64 VAL CA A 64 VAL C A 65 ALA N 1.0 -63.0 -15.0 PSI 114 114 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 GLY N 1.0 -54.0 2.0 PSI 115 115 A 70 THR N A 70 THR CA A 70 THR C A 71 PRO N 1.0 131.0 179.0 PSI 116 116 A 71 PRO N A 71 PRO CA A 71 PRO C A 72 ARG N 1.0 -52.0 -12.0 PSI 117 117 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 GLU N 1.0 -65.0 -25.0 PSI 118 118 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 LEU N 1.0 -58.0 -18.0 PSI 119 119 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 LEU N 1.0 -61.0 -21.0 PSI 120 120 A 75 LEU N A 75 LEU CA A 75 LEU C A 76 ASP N 1.0 -62.0 -22.0 PSI 121 121 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 LEU N 1.0 -58.0 -18.0 PSI 122 122 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 ILE N 1.0 -60.0 -20.0 PSI 123 123 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 ASN N 1.0 -62.0 -22.0 PSI 124 124 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 GLY N 1.0 -55.0 -15.0 PSI 125 125 A 80 GLY N A 80 GLY CA A 80 GLY C A 81 ALA N 1.0 -61.0 -21.0 PSI 126 126 A 81 ALA N A 81 ALA CA A 81 ALA C A 82 LEU N 1.0 -62.0 -22.0 PSI 127 127 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 ALA N 1.0 -70.0 -6.0 PSI 128 128 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 GLU N 1.0 -66.0 18.0 PSI stop_ save_